USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 750 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 72 MET CE :methyl 170:sc= -1.35 (180deg=-1.63) USER MOD Set 1.2: A 89 MET CE :methyl 161:sc= -0.0838 (180deg=-0.14) USER MOD Set 2.1: A 37 TYR OH : rot 180:sc= -0.0263 USER MOD Set 2.2: A 75 MET CE :methyl 176:sc= -2.6 (180deg=-2.47) USER MOD Set 3.1: A 26 SER OG : rot 180:sc= 0.0243 USER MOD Set 3.2: A 29 THR OG1 : rot 89:sc= 0.0258 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 169:sc= -0.458 (180deg=-0.833) USER MOD Single : A 14 THR OG1 : rot 90:sc= -1.47 USER MOD Single : A 15 SER OG : rot -7:sc= 0.131 USER MOD Single : A 17 LYS NZ :NH3+ -162:sc= 1.26 (180deg=0.283) USER MOD Single : A 20 ASN : amide:sc= -1.61 X(o=-1.6,f=-1.3!) USER MOD Single : A 22 THR OG1 : rot 176:sc= 1.26 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 143:sc= -0.573 USER MOD Single : A 52 LYS NZ :NH3+ -129:sc= 0.374 (180deg=-0.286) USER MOD Single : A 54 SER OG : rot 180:sc= -0.0742 USER MOD Single : A 63 HIS :FLIP no HE2:sc= -1.23 F(o=-2.4,f=-1.2) USER MOD Single : A 65 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.061) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -156:sc= -0.0846 USER MOD ----------------------------------------------------------------- ATOM 29 N TYR A 3 -11.936 15.251 2.902 1.00 0.00 N ATOM 30 CA TYR A 3 -11.344 15.038 1.588 1.00 0.00 C ATOM 31 C TYR A 3 -12.273 15.428 0.442 1.00 0.00 C ATOM 32 O TYR A 3 -12.196 14.857 -0.644 1.00 0.00 O ATOM 33 CB TYR A 3 -10.869 13.587 1.471 1.00 0.00 C ATOM 34 CG TYR A 3 -9.890 13.139 2.535 1.00 0.00 C ATOM 35 CD1 TYR A 3 -9.294 14.062 3.412 1.00 0.00 C ATOM 36 CD2 TYR A 3 -9.573 11.778 2.635 1.00 0.00 C ATOM 37 CE1 TYR A 3 -8.366 13.626 4.370 1.00 0.00 C ATOM 38 CE2 TYR A 3 -8.638 11.333 3.578 1.00 0.00 C ATOM 39 CZ TYR A 3 -8.031 12.259 4.453 1.00 0.00 C ATOM 40 OH TYR A 3 -7.127 11.835 5.383 1.00 0.00 O ATOM 0 HA TYR A 3 -10.485 15.703 1.497 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -11.740 12.933 1.504 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -10.405 13.451 0.494 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -9.551 15.109 3.348 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -10.053 11.066 1.980 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -7.909 14.337 5.043 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -8.383 10.285 3.635 1.00 0.00 H new ATOM 0 HH TYR A 3 -7.010 10.865 5.307 1.00 0.00 H new ATOM 50 N GLY A 4 -13.156 16.402 0.672 1.00 0.00 N ATOM 51 CA GLY A 4 -14.145 16.825 -0.304 1.00 0.00 C ATOM 52 C GLY A 4 -13.565 17.730 -1.384 1.00 0.00 C ATOM 53 O GLY A 4 -13.985 18.881 -1.484 1.00 0.00 O ATOM 0 H GLY A 4 -13.200 16.919 1.550 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.585 15.945 -0.773 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.952 17.350 0.208 1.00 0.00 H new ATOM 57 N ARG A 5 -12.616 17.194 -2.170 1.00 0.00 N ATOM 58 CA ARG A 5 -12.076 17.748 -3.417 1.00 0.00 C ATOM 59 C ARG A 5 -10.653 18.332 -3.336 1.00 0.00 C ATOM 60 O ARG A 5 -10.309 19.143 -4.193 1.00 0.00 O ATOM 61 CB ARG A 5 -13.020 18.772 -4.056 1.00 0.00 C ATOM 62 CG ARG A 5 -14.396 18.166 -4.342 1.00 0.00 C ATOM 63 CD ARG A 5 -15.442 19.272 -4.419 1.00 0.00 C ATOM 64 NE ARG A 5 -15.242 20.145 -5.586 1.00 0.00 N ATOM 65 CZ ARG A 5 -16.227 20.733 -6.270 1.00 0.00 C ATOM 66 NH1 ARG A 5 -17.501 20.545 -5.929 1.00 0.00 N ATOM 67 NH2 ARG A 5 -15.941 21.515 -7.305 1.00 0.00 N ATOM 0 H ARG A 5 -12.179 16.303 -1.933 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.997 16.868 -4.055 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -13.130 19.630 -3.393 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -12.584 19.141 -4.984 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -14.371 17.611 -5.280 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -14.661 17.456 -3.558 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -16.436 18.827 -4.466 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -15.403 19.870 -3.509 1.00 0.00 H new ATOM 0 HE ARG A 5 -14.284 20.313 -5.894 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -17.734 19.946 -5.137 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -18.244 21.000 -6.460 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -14.970 21.666 -7.577 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -16.693 21.964 -7.828 1.00 0.00 H new ATOM 81 N PRO A 6 -9.799 17.972 -2.364 1.00 0.00 N ATOM 82 CA PRO A 6 -8.467 18.545 -2.282 1.00 0.00 C ATOM 83 C PRO A 6 -7.587 17.998 -3.410 1.00 0.00 C ATOM 84 O PRO A 6 -7.779 16.861 -3.847 1.00 0.00 O ATOM 85 CB PRO A 6 -7.940 18.135 -0.910 1.00 0.00 C ATOM 86 CG PRO A 6 -8.642 16.805 -0.658 1.00 0.00 C ATOM 87 CD PRO A 6 -10.010 17.013 -1.301 1.00 0.00 C ATOM 0 HA PRO A 6 -8.470 19.629 -2.395 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -6.856 18.026 -0.910 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.186 18.873 -0.146 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.105 15.972 -1.112 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.725 16.588 0.407 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -10.406 16.076 -1.692 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -10.732 17.386 -0.574 1.00 0.00 H new ATOM 95 N PRO A 7 -6.617 18.792 -3.880 1.00 0.00 N ATOM 96 CA PRO A 7 -5.722 18.410 -4.955 1.00 0.00 C ATOM 97 C PRO A 7 -4.666 17.416 -4.467 1.00 0.00 C ATOM 98 O PRO A 7 -4.206 17.504 -3.328 1.00 0.00 O ATOM 99 CB PRO A 7 -5.074 19.717 -5.404 1.00 0.00 C ATOM 100 CG PRO A 7 -5.037 20.543 -4.119 1.00 0.00 C ATOM 101 CD PRO A 7 -6.325 20.131 -3.410 1.00 0.00 C ATOM 0 HA PRO A 7 -6.250 17.911 -5.768 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -4.075 19.554 -5.808 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.656 20.209 -6.183 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -4.156 20.317 -3.519 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -5.015 21.613 -4.327 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -6.199 20.148 -2.327 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.139 20.816 -3.647 1.00 0.00 H new ATOM 109 N PRO A 8 -4.288 16.475 -5.334 1.00 0.00 N ATOM 110 CA PRO A 8 -3.254 15.488 -5.085 1.00 0.00 C ATOM 111 C PRO A 8 -1.872 16.090 -5.363 1.00 0.00 C ATOM 112 O PRO A 8 -1.733 17.297 -5.553 1.00 0.00 O ATOM 113 CB PRO A 8 -3.579 14.368 -6.074 1.00 0.00 C ATOM 114 CG PRO A 8 -4.088 15.139 -7.288 1.00 0.00 C ATOM 115 CD PRO A 8 -4.863 16.291 -6.656 1.00 0.00 C ATOM 0 HA PRO A 8 -3.230 15.137 -4.053 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.700 13.769 -6.313 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.333 13.685 -5.681 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.269 15.497 -7.912 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.725 14.522 -7.921 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.771 17.199 -7.253 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.926 16.059 -6.591 1.00 0.00 H new ATOM 123 N ASP A 9 -0.851 15.234 -5.389 1.00 0.00 N ATOM 124 CA ASP A 9 0.520 15.617 -5.703 1.00 0.00 C ATOM 125 C ASP A 9 1.094 14.648 -6.743 1.00 0.00 C ATOM 126 O ASP A 9 2.306 14.566 -6.933 1.00 0.00 O ATOM 127 CB ASP A 9 1.339 15.640 -4.414 1.00 0.00 C ATOM 128 CG ASP A 9 2.728 16.243 -4.631 1.00 0.00 C ATOM 129 OD1 ASP A 9 2.789 17.361 -5.192 1.00 0.00 O ATOM 130 OD2 ASP A 9 3.717 15.583 -4.234 1.00 0.00 O ATOM 0 H ASP A 9 -0.958 14.240 -5.189 1.00 0.00 H new ATOM 0 HA ASP A 9 0.554 16.617 -6.136 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.808 16.216 -3.657 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.440 14.625 -4.030 1.00 0.00 H new ATOM 135 N VAL A 10 0.199 13.914 -7.417 1.00 0.00 N ATOM 136 CA VAL A 10 0.514 12.891 -8.410 1.00 0.00 C ATOM 137 C VAL A 10 1.250 13.450 -9.625 1.00 0.00 C ATOM 138 O VAL A 10 1.674 12.691 -10.496 1.00 0.00 O ATOM 139 CB VAL A 10 -0.789 12.227 -8.873 1.00 0.00 C ATOM 140 CG1 VAL A 10 -1.440 11.458 -7.724 1.00 0.00 C ATOM 141 CG2 VAL A 10 -1.790 13.267 -9.384 1.00 0.00 C ATOM 0 H VAL A 10 -0.805 14.025 -7.276 1.00 0.00 H new ATOM 0 HA VAL A 10 1.178 12.169 -7.934 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.530 11.543 -9.682 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.363 10.995 -8.073 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.757 10.686 -7.370 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.665 12.145 -6.908 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.703 12.766 -9.705 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.024 13.970 -8.585 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.357 13.806 -10.226 1.00 0.00 H new ATOM 151 N GLU A 11 1.404 14.774 -9.694 1.00 0.00 N ATOM 152 CA GLU A 11 2.070 15.454 -10.795 1.00 0.00 C ATOM 153 C GLU A 11 3.570 15.152 -10.865 1.00 0.00 C ATOM 154 O GLU A 11 4.249 15.665 -11.757 1.00 0.00 O ATOM 155 CB GLU A 11 1.830 16.958 -10.658 1.00 0.00 C ATOM 156 CG GLU A 11 2.329 17.479 -9.309 1.00 0.00 C ATOM 157 CD GLU A 11 2.130 18.987 -9.205 1.00 0.00 C ATOM 158 OE1 GLU A 11 1.010 19.404 -8.827 1.00 0.00 O ATOM 159 OE2 GLU A 11 3.099 19.722 -9.502 1.00 0.00 O ATOM 0 H GLU A 11 1.062 15.409 -8.973 1.00 0.00 H new ATOM 0 HA GLU A 11 1.645 15.082 -11.727 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.339 17.485 -11.465 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.766 17.170 -10.761 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.794 16.980 -8.501 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.385 17.238 -9.189 1.00 0.00 H new ATOM 166 N GLY A 12 4.106 14.338 -9.951 1.00 0.00 N ATOM 167 CA GLY A 12 5.531 14.039 -9.957 1.00 0.00 C ATOM 168 C GLY A 12 5.955 13.052 -8.874 1.00 0.00 C ATOM 169 O GLY A 12 7.045 13.197 -8.323 1.00 0.00 O ATOM 0 H GLY A 12 3.577 13.881 -9.208 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.804 13.635 -10.932 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.088 14.967 -9.829 1.00 0.00 H new ATOM 173 N MET A 13 5.126 12.054 -8.557 1.00 0.00 N ATOM 174 CA MET A 13 5.457 11.097 -7.505 1.00 0.00 C ATOM 175 C MET A 13 4.988 9.677 -7.837 1.00 0.00 C ATOM 176 O MET A 13 4.178 9.470 -8.740 1.00 0.00 O ATOM 177 CB MET A 13 4.902 11.600 -6.171 1.00 0.00 C ATOM 178 CG MET A 13 3.385 11.787 -6.157 1.00 0.00 C ATOM 179 SD MET A 13 2.400 10.267 -6.121 1.00 0.00 S ATOM 180 CE MET A 13 0.931 10.889 -5.262 1.00 0.00 C ATOM 0 H MET A 13 4.228 11.890 -9.012 1.00 0.00 H new ATOM 0 HA MET A 13 6.542 11.028 -7.426 1.00 0.00 H new ATOM 0 HB2 MET A 13 5.178 10.896 -5.386 1.00 0.00 H new ATOM 0 HB3 MET A 13 5.377 12.550 -5.927 1.00 0.00 H new ATOM 0 HG2 MET A 13 3.121 12.389 -5.287 1.00 0.00 H new ATOM 0 HG3 MET A 13 3.101 12.360 -7.040 1.00 0.00 H new ATOM 0 HE1 MET A 13 0.134 10.147 -5.320 1.00 0.00 H new ATOM 0 HE2 MET A 13 1.174 11.079 -4.217 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.600 11.815 -5.732 1.00 0.00 H new ATOM 190 N THR A 14 5.511 8.695 -7.093 1.00 0.00 N ATOM 191 CA THR A 14 5.211 7.281 -7.290 1.00 0.00 C ATOM 192 C THR A 14 3.813 6.952 -6.799 1.00 0.00 C ATOM 193 O THR A 14 3.620 6.657 -5.624 1.00 0.00 O ATOM 194 CB THR A 14 6.206 6.399 -6.546 1.00 0.00 C ATOM 195 OG1 THR A 14 7.501 6.660 -7.032 1.00 0.00 O ATOM 196 CG2 THR A 14 5.868 4.922 -6.782 1.00 0.00 C ATOM 0 H THR A 14 6.163 8.868 -6.328 1.00 0.00 H new ATOM 0 HA THR A 14 5.281 7.085 -8.360 1.00 0.00 H new ATOM 0 HB THR A 14 6.156 6.614 -5.479 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.908 7.381 -6.508 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.582 4.295 -6.248 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.862 4.716 -6.418 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.920 4.703 -7.848 1.00 0.00 H new ATOM 203 N SER A 15 2.847 7.007 -7.711 1.00 0.00 N ATOM 204 CA SER A 15 1.454 6.689 -7.441 1.00 0.00 C ATOM 205 C SER A 15 1.300 5.191 -7.211 1.00 0.00 C ATOM 206 O SER A 15 0.993 4.449 -8.145 1.00 0.00 O ATOM 207 CB SER A 15 0.571 7.146 -8.603 1.00 0.00 C ATOM 208 OG SER A 15 0.608 8.553 -8.706 1.00 0.00 O ATOM 0 H SER A 15 3.018 7.280 -8.679 1.00 0.00 H new ATOM 0 HA SER A 15 1.137 7.217 -6.541 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.916 6.695 -9.533 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.454 6.810 -8.447 1.00 0.00 H new ATOM 0 HG SER A 15 1.104 8.924 -7.946 1.00 0.00 H new ATOM 214 N LEU A 16 1.523 4.739 -5.975 1.00 0.00 N ATOM 215 CA LEU A 16 1.417 3.320 -5.660 1.00 0.00 C ATOM 216 C LEU A 16 0.143 3.100 -4.863 1.00 0.00 C ATOM 217 O LEU A 16 -0.143 3.846 -3.930 1.00 0.00 O ATOM 218 CB LEU A 16 2.701 2.858 -4.960 1.00 0.00 C ATOM 219 CG LEU A 16 2.730 1.444 -4.359 1.00 0.00 C ATOM 220 CD1 LEU A 16 1.912 1.331 -3.073 1.00 0.00 C ATOM 221 CD2 LEU A 16 2.296 0.381 -5.359 1.00 0.00 C ATOM 0 H LEU A 16 1.776 5.332 -5.185 1.00 0.00 H new ATOM 0 HA LEU A 16 1.334 2.703 -6.555 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.517 2.931 -5.679 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.917 3.565 -4.159 1.00 0.00 H new ATOM 0 HG LEU A 16 3.773 1.260 -4.102 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.969 0.311 -2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.311 2.018 -2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.872 1.583 -3.280 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.334 -0.600 -4.886 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.278 0.586 -5.689 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.966 0.395 -6.219 1.00 0.00 H new ATOM 233 N LYS A 17 -0.620 2.072 -5.236 1.00 0.00 N ATOM 234 CA LYS A 17 -1.972 1.898 -4.722 1.00 0.00 C ATOM 235 C LYS A 17 -2.234 0.490 -4.206 1.00 0.00 C ATOM 236 O LYS A 17 -1.581 -0.465 -4.625 1.00 0.00 O ATOM 237 CB LYS A 17 -2.969 2.318 -5.809 1.00 0.00 C ATOM 238 CG LYS A 17 -2.904 1.410 -7.041 1.00 0.00 C ATOM 239 CD LYS A 17 -3.939 0.291 -6.963 1.00 0.00 C ATOM 240 CE LYS A 17 -3.546 -0.860 -7.889 1.00 0.00 C ATOM 241 NZ LYS A 17 -4.533 -1.953 -7.813 1.00 0.00 N ATOM 0 H LYS A 17 -0.322 1.350 -5.892 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.100 2.539 -3.850 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.979 2.299 -5.399 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.766 3.346 -6.107 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.073 2.002 -7.941 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.906 0.980 -7.125 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.019 -0.069 -5.937 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.920 0.674 -7.243 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.474 -0.499 -8.915 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.560 -1.234 -7.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.114 -2.826 -8.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.809 -2.104 -6.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.373 -1.701 -8.371 1.00 0.00 H new ATOM 255 N VAL A 18 -3.201 0.373 -3.289 1.00 0.00 N ATOM 256 CA VAL A 18 -3.489 -0.895 -2.620 1.00 0.00 C ATOM 257 C VAL A 18 -4.983 -1.185 -2.596 1.00 0.00 C ATOM 258 O VAL A 18 -5.793 -0.261 -2.660 1.00 0.00 O ATOM 259 CB VAL A 18 -2.932 -0.906 -1.187 1.00 0.00 C ATOM 260 CG1 VAL A 18 -1.688 -0.030 -1.041 1.00 0.00 C ATOM 261 CG2 VAL A 18 -3.974 -0.435 -0.174 1.00 0.00 C ATOM 0 H VAL A 18 -3.798 1.146 -2.994 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.995 -1.679 -3.194 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.663 -1.943 -0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.333 -0.071 -0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.907 -0.393 -1.709 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.936 1.000 -1.298 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.544 -0.456 0.827 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.282 0.582 -0.415 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.841 -1.095 -0.210 1.00 0.00 H new ATOM 271 N ASP A 19 -5.331 -2.473 -2.496 1.00 0.00 N ATOM 272 CA ASP A 19 -6.702 -2.964 -2.505 1.00 0.00 C ATOM 273 C ASP A 19 -6.806 -4.279 -1.720 1.00 0.00 C ATOM 274 O ASP A 19 -5.851 -4.685 -1.059 1.00 0.00 O ATOM 275 CB ASP A 19 -7.125 -3.213 -3.957 1.00 0.00 C ATOM 276 CG ASP A 19 -6.998 -1.960 -4.819 1.00 0.00 C ATOM 277 OD1 ASP A 19 -7.914 -1.113 -4.747 1.00 0.00 O ATOM 278 OD2 ASP A 19 -5.979 -1.872 -5.541 1.00 0.00 O ATOM 0 H ASP A 19 -4.642 -3.219 -2.404 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.351 -2.223 -2.038 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.511 -4.007 -4.381 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.157 -3.563 -3.978 1.00 0.00 H new ATOM 283 N ASN A 20 -7.971 -4.933 -1.804 1.00 0.00 N ATOM 284 CA ASN A 20 -8.223 -6.281 -1.289 1.00 0.00 C ATOM 285 C ASN A 20 -8.657 -6.293 0.182 1.00 0.00 C ATOM 286 O ASN A 20 -8.426 -7.274 0.890 1.00 0.00 O ATOM 287 CB ASN A 20 -7.014 -7.197 -1.543 1.00 0.00 C ATOM 288 CG ASN A 20 -7.400 -8.532 -2.155 1.00 0.00 C ATOM 289 OD1 ASN A 20 -8.352 -8.629 -2.926 1.00 0.00 O ATOM 290 ND2 ASN A 20 -6.648 -9.570 -1.813 1.00 0.00 N ATOM 0 H ASN A 20 -8.792 -4.522 -2.248 1.00 0.00 H new ATOM 0 HA ASN A 20 -9.072 -6.679 -1.845 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.313 -6.689 -2.205 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.493 -7.372 -0.601 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.851 -10.494 -2.194 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.867 -9.444 -1.169 1.00 0.00 H new ATOM 297 N LEU A 21 -9.283 -5.207 0.646 1.00 0.00 N ATOM 298 CA LEU A 21 -9.753 -5.058 2.016 1.00 0.00 C ATOM 299 C LEU A 21 -10.603 -6.260 2.405 1.00 0.00 C ATOM 300 O LEU A 21 -11.568 -6.599 1.723 1.00 0.00 O ATOM 301 CB LEU A 21 -10.596 -3.784 2.129 1.00 0.00 C ATOM 302 CG LEU A 21 -9.800 -2.469 2.142 1.00 0.00 C ATOM 303 CD1 LEU A 21 -9.473 -2.108 3.580 1.00 0.00 C ATOM 304 CD2 LEU A 21 -8.498 -2.518 1.335 1.00 0.00 C ATOM 0 H LEU A 21 -9.478 -4.393 0.063 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.894 -4.992 2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.297 -3.757 1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.189 -3.840 3.042 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.432 -1.719 1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.908 -1.176 3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.398 -1.985 4.144 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.878 -2.904 4.029 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.996 -1.552 1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.846 -3.291 1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.724 -2.746 0.293 1.00 0.00 H new ATOM 316 N THR A 22 -10.237 -6.905 3.511 1.00 0.00 N ATOM 317 CA THR A 22 -10.964 -8.060 4.000 1.00 0.00 C ATOM 318 C THR A 22 -12.248 -7.620 4.697 1.00 0.00 C ATOM 319 O THR A 22 -12.477 -6.432 4.914 1.00 0.00 O ATOM 320 CB THR A 22 -10.042 -8.872 4.917 1.00 0.00 C ATOM 321 OG1 THR A 22 -8.778 -8.999 4.298 1.00 0.00 O ATOM 322 CG2 THR A 22 -10.585 -10.275 5.168 1.00 0.00 C ATOM 0 H THR A 22 -9.436 -6.640 4.084 1.00 0.00 H new ATOM 0 HA THR A 22 -11.266 -8.701 3.172 1.00 0.00 H new ATOM 0 HB THR A 22 -9.973 -8.347 5.870 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.163 -9.464 4.903 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.903 -10.818 5.822 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.564 -10.207 5.642 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.677 -10.805 4.220 1.00 0.00 H new ATOM 329 N TYR A 23 -13.102 -8.586 5.052 1.00 0.00 N ATOM 330 CA TYR A 23 -14.403 -8.360 5.667 1.00 0.00 C ATOM 331 C TYR A 23 -14.336 -7.693 7.046 1.00 0.00 C ATOM 332 O TYR A 23 -15.365 -7.569 7.709 1.00 0.00 O ATOM 333 CB TYR A 23 -15.133 -9.704 5.764 1.00 0.00 C ATOM 334 CG TYR A 23 -14.417 -10.728 6.619 1.00 0.00 C ATOM 335 CD1 TYR A 23 -14.636 -10.764 8.005 1.00 0.00 C ATOM 336 CD2 TYR A 23 -13.534 -11.643 6.023 1.00 0.00 C ATOM 337 CE1 TYR A 23 -13.969 -11.708 8.799 1.00 0.00 C ATOM 338 CE2 TYR A 23 -12.869 -12.591 6.811 1.00 0.00 C ATOM 339 CZ TYR A 23 -13.083 -12.631 8.203 1.00 0.00 C ATOM 340 OH TYR A 23 -12.442 -13.555 8.971 1.00 0.00 O ATOM 0 H TYR A 23 -12.895 -9.575 4.913 1.00 0.00 H new ATOM 0 HA TYR A 23 -14.944 -7.658 5.032 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -16.130 -9.537 6.172 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -15.263 -10.109 4.761 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -15.320 -10.063 8.461 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -13.368 -11.616 4.956 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -14.133 -11.729 9.866 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -12.190 -13.293 6.350 1.00 0.00 H new ATOM 0 HH TYR A 23 -11.871 -14.113 8.403 1.00 0.00 H new ATOM 350 N ARG A 24 -13.150 -7.264 7.490 1.00 0.00 N ATOM 351 CA ARG A 24 -12.958 -6.691 8.817 1.00 0.00 C ATOM 352 C ARG A 24 -12.110 -5.421 8.777 1.00 0.00 C ATOM 353 O ARG A 24 -11.621 -4.977 9.814 1.00 0.00 O ATOM 354 CB ARG A 24 -12.313 -7.754 9.704 1.00 0.00 C ATOM 355 CG ARG A 24 -10.844 -7.952 9.321 1.00 0.00 C ATOM 356 CD ARG A 24 -10.299 -9.215 9.979 1.00 0.00 C ATOM 357 NE ARG A 24 -8.829 -9.239 9.941 1.00 0.00 N ATOM 358 CZ ARG A 24 -8.104 -9.631 8.888 1.00 0.00 C ATOM 359 NH1 ARG A 24 -8.698 -10.085 7.790 1.00 0.00 N ATOM 360 NH2 ARG A 24 -6.773 -9.575 8.926 1.00 0.00 N ATOM 0 H ARG A 24 -12.296 -7.307 6.934 1.00 0.00 H new ATOM 0 HA ARG A 24 -13.925 -6.396 9.224 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -12.385 -7.456 10.750 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.852 -8.696 9.603 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.749 -8.026 8.238 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.258 -7.087 9.634 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.640 -9.266 11.013 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.694 -10.094 9.469 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.328 -8.936 10.776 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.716 -10.137 7.745 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.136 -10.382 6.992 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.301 -9.231 9.762 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.227 -9.876 8.119 1.00 0.00 H new ATOM 374 N THR A 25 -11.923 -4.835 7.591 1.00 0.00 N ATOM 375 CA THR A 25 -10.989 -3.732 7.403 1.00 0.00 C ATOM 376 C THR A 25 -11.695 -2.452 6.950 1.00 0.00 C ATOM 377 O THR A 25 -12.852 -2.486 6.530 1.00 0.00 O ATOM 378 CB THR A 25 -9.901 -4.161 6.412 1.00 0.00 C ATOM 379 OG1 THR A 25 -9.603 -5.533 6.570 1.00 0.00 O ATOM 380 CG2 THR A 25 -8.612 -3.386 6.665 1.00 0.00 C ATOM 0 H THR A 25 -12.414 -5.113 6.741 1.00 0.00 H new ATOM 0 HA THR A 25 -10.527 -3.496 8.361 1.00 0.00 H new ATOM 0 HB THR A 25 -10.277 -3.962 5.408 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.908 -5.793 5.930 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.851 -3.703 5.952 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.799 -2.319 6.545 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.263 -3.581 7.679 1.00 0.00 H new ATOM 387 N SER A 26 -10.990 -1.317 7.044 1.00 0.00 N ATOM 388 CA SER A 26 -11.522 0.013 6.778 1.00 0.00 C ATOM 389 C SER A 26 -10.385 0.937 6.335 1.00 0.00 C ATOM 390 O SER A 26 -9.218 0.573 6.482 1.00 0.00 O ATOM 391 CB SER A 26 -12.150 0.519 8.086 1.00 0.00 C ATOM 392 OG SER A 26 -11.141 0.735 9.054 1.00 0.00 O ATOM 0 H SER A 26 -10.007 -1.305 7.315 1.00 0.00 H new ATOM 0 HA SER A 26 -12.268 -0.008 5.984 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.695 1.445 7.903 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.873 -0.208 8.457 1.00 0.00 H new ATOM 0 HG SER A 26 -11.548 1.059 9.884 1.00 0.00 H new ATOM 398 N PRO A 27 -10.689 2.126 5.795 1.00 0.00 N ATOM 399 CA PRO A 27 -9.668 3.030 5.279 1.00 0.00 C ATOM 400 C PRO A 27 -8.821 3.620 6.399 1.00 0.00 C ATOM 401 O PRO A 27 -7.659 3.947 6.179 1.00 0.00 O ATOM 402 CB PRO A 27 -10.429 4.141 4.549 1.00 0.00 C ATOM 403 CG PRO A 27 -11.811 4.138 5.207 1.00 0.00 C ATOM 404 CD PRO A 27 -12.021 2.683 5.623 1.00 0.00 C ATOM 0 HA PRO A 27 -8.979 2.501 4.621 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.934 5.105 4.664 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.496 3.943 3.479 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -11.845 4.807 6.067 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.584 4.470 4.514 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.594 2.619 6.548 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.579 2.135 4.864 1.00 0.00 H new ATOM 412 N ASP A 28 -9.391 3.758 7.600 1.00 0.00 N ATOM 413 CA ASP A 28 -8.648 4.311 8.725 1.00 0.00 C ATOM 414 C ASP A 28 -7.561 3.331 9.150 1.00 0.00 C ATOM 415 O ASP A 28 -6.477 3.737 9.574 1.00 0.00 O ATOM 416 CB ASP A 28 -9.592 4.562 9.897 1.00 0.00 C ATOM 417 CG ASP A 28 -8.878 5.293 11.031 1.00 0.00 C ATOM 418 OD1 ASP A 28 -8.577 6.492 10.836 1.00 0.00 O ATOM 419 OD2 ASP A 28 -8.635 4.653 12.080 1.00 0.00 O ATOM 0 H ASP A 28 -10.354 3.496 7.812 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.192 5.254 8.423 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.445 5.151 9.561 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.984 3.613 10.262 1.00 0.00 H new ATOM 424 N THR A 29 -7.852 2.033 9.034 1.00 0.00 N ATOM 425 CA THR A 29 -6.874 1.013 9.365 1.00 0.00 C ATOM 426 C THR A 29 -5.879 0.907 8.219 1.00 0.00 C ATOM 427 O THR A 29 -4.678 0.826 8.447 1.00 0.00 O ATOM 428 CB THR A 29 -7.573 -0.326 9.593 1.00 0.00 C ATOM 429 OG1 THR A 29 -8.469 -0.221 10.683 1.00 0.00 O ATOM 430 CG2 THR A 29 -6.532 -1.394 9.905 1.00 0.00 C ATOM 0 H THR A 29 -8.752 1.673 8.715 1.00 0.00 H new ATOM 0 HA THR A 29 -6.348 1.281 10.281 1.00 0.00 H new ATOM 0 HB THR A 29 -8.126 -0.598 8.694 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.347 0.067 10.358 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.029 -2.350 10.068 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.840 -1.483 9.068 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.981 -1.114 10.803 1.00 0.00 H new ATOM 437 N LEU A 30 -6.359 0.910 6.977 1.00 0.00 N ATOM 438 CA LEU A 30 -5.465 0.844 5.832 1.00 0.00 C ATOM 439 C LEU A 30 -4.472 2.006 5.854 1.00 0.00 C ATOM 440 O LEU A 30 -3.419 1.924 5.228 1.00 0.00 O ATOM 441 CB LEU A 30 -6.303 0.850 4.548 1.00 0.00 C ATOM 442 CG LEU A 30 -6.170 -0.442 3.734 1.00 0.00 C ATOM 443 CD1 LEU A 30 -4.786 -0.562 3.122 1.00 0.00 C ATOM 444 CD2 LEU A 30 -6.420 -1.674 4.599 1.00 0.00 C ATOM 0 H LEU A 30 -7.351 0.957 6.743 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.883 -0.077 5.873 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.351 1.003 4.806 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.001 1.695 3.929 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.921 -0.393 2.945 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.720 -1.488 2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.605 0.286 2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.037 -0.571 3.914 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.318 -2.573 3.991 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.694 -1.701 5.412 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.427 -1.629 5.014 1.00 0.00 H new ATOM 456 N ARG A 31 -4.796 3.088 6.571 1.00 0.00 N ATOM 457 CA ARG A 31 -3.924 4.249 6.648 1.00 0.00 C ATOM 458 C ARG A 31 -2.836 3.988 7.678 1.00 0.00 C ATOM 459 O ARG A 31 -1.658 4.069 7.349 1.00 0.00 O ATOM 460 CB ARG A 31 -4.747 5.469 7.056 1.00 0.00 C ATOM 461 CG ARG A 31 -4.140 6.788 6.557 1.00 0.00 C ATOM 462 CD ARG A 31 -2.702 7.030 7.020 1.00 0.00 C ATOM 463 NE ARG A 31 -2.252 8.382 6.664 1.00 0.00 N ATOM 464 CZ ARG A 31 -2.469 9.472 7.407 1.00 0.00 C ATOM 465 NH1 ARG A 31 -3.112 9.385 8.571 1.00 0.00 N ATOM 466 NH2 ARG A 31 -2.038 10.659 6.993 1.00 0.00 N ATOM 0 H ARG A 31 -5.660 3.177 7.105 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.463 4.435 5.678 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.758 5.368 6.663 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.829 5.500 8.142 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.166 6.798 5.467 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.764 7.614 6.898 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.637 6.894 8.100 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.041 6.292 6.565 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.739 8.497 5.790 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.444 8.480 8.904 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.272 10.224 9.129 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.540 10.740 6.106 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.205 11.489 7.562 1.00 0.00 H new ATOM 480 N ARG A 32 -3.220 3.675 8.921 1.00 0.00 N ATOM 481 CA ARG A 32 -2.247 3.450 9.985 1.00 0.00 C ATOM 482 C ARG A 32 -1.339 2.272 9.642 1.00 0.00 C ATOM 483 O ARG A 32 -0.175 2.248 10.041 1.00 0.00 O ATOM 484 CB ARG A 32 -2.983 3.201 11.306 1.00 0.00 C ATOM 485 CG ARG A 32 -3.359 1.725 11.406 1.00 0.00 C ATOM 486 CD ARG A 32 -4.214 1.423 12.618 1.00 0.00 C ATOM 487 NE ARG A 32 -3.492 1.662 13.870 1.00 0.00 N ATOM 488 CZ ARG A 32 -4.051 1.578 15.084 1.00 0.00 C ATOM 489 NH1 ARG A 32 -5.337 1.260 15.219 1.00 0.00 N ATOM 490 NH2 ARG A 32 -3.323 1.814 16.169 1.00 0.00 N ATOM 0 H ARG A 32 -4.193 3.573 9.209 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.620 4.336 10.089 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.350 3.484 12.147 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.878 3.820 11.359 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.895 1.429 10.505 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.450 1.124 11.448 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.111 2.042 12.593 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.542 0.384 12.581 1.00 0.00 H new ATOM 0 HE ARG A 32 -2.504 1.907 13.814 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.907 1.078 14.393 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.752 1.199 16.149 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.337 2.060 16.078 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.750 1.750 17.093 1.00 0.00 H new ATOM 504 N VAL A 33 -1.880 1.298 8.901 1.00 0.00 N ATOM 505 CA VAL A 33 -1.185 0.062 8.602 1.00 0.00 C ATOM 506 C VAL A 33 -0.143 0.270 7.508 1.00 0.00 C ATOM 507 O VAL A 33 0.912 -0.353 7.545 1.00 0.00 O ATOM 508 CB VAL A 33 -2.207 -0.991 8.153 1.00 0.00 C ATOM 509 CG1 VAL A 33 -1.521 -2.228 7.580 1.00 0.00 C ATOM 510 CG2 VAL A 33 -3.054 -1.428 9.348 1.00 0.00 C ATOM 0 H VAL A 33 -2.814 1.355 8.496 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.668 -0.277 9.500 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.828 -0.537 7.380 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.275 -2.953 7.272 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.918 -1.943 6.718 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.879 -2.673 8.340 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.779 -2.176 9.026 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.408 -1.855 10.115 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.580 -0.565 9.756 1.00 0.00 H new ATOM 520 N PHE A 34 -0.432 1.147 6.540 1.00 0.00 N ATOM 521 CA PHE A 34 0.476 1.425 5.434 1.00 0.00 C ATOM 522 C PHE A 34 1.283 2.703 5.650 1.00 0.00 C ATOM 523 O PHE A 34 2.224 2.956 4.905 1.00 0.00 O ATOM 524 CB PHE A 34 -0.352 1.486 4.147 1.00 0.00 C ATOM 525 CG PHE A 34 -0.535 0.141 3.479 1.00 0.00 C ATOM 526 CD1 PHE A 34 -1.530 -0.734 3.940 1.00 0.00 C ATOM 527 CD2 PHE A 34 0.280 -0.235 2.402 1.00 0.00 C ATOM 528 CE1 PHE A 34 -1.720 -1.975 3.310 1.00 0.00 C ATOM 529 CE2 PHE A 34 0.097 -1.480 1.776 1.00 0.00 C ATOM 530 CZ PHE A 34 -0.909 -2.345 2.228 1.00 0.00 C ATOM 0 H PHE A 34 -1.301 1.680 6.506 1.00 0.00 H new ATOM 0 HA PHE A 34 1.215 0.627 5.364 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.332 1.905 4.375 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.131 2.167 3.446 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.150 -0.454 4.779 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.052 0.435 2.052 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.492 -2.645 3.660 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.729 -1.769 0.950 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.060 -3.298 1.742 1.00 0.00 H new ATOM 540 N GLU A 35 0.938 3.510 6.654 1.00 0.00 N ATOM 541 CA GLU A 35 1.667 4.736 6.955 1.00 0.00 C ATOM 542 C GLU A 35 3.017 4.432 7.606 1.00 0.00 C ATOM 543 O GLU A 35 3.949 5.222 7.480 1.00 0.00 O ATOM 544 CB GLU A 35 0.805 5.587 7.891 1.00 0.00 C ATOM 545 CG GLU A 35 1.536 6.829 8.395 1.00 0.00 C ATOM 546 CD GLU A 35 0.599 7.751 9.170 1.00 0.00 C ATOM 547 OE1 GLU A 35 0.003 7.276 10.164 1.00 0.00 O ATOM 548 OE2 GLU A 35 0.487 8.929 8.760 1.00 0.00 O ATOM 0 H GLU A 35 0.150 3.331 7.276 1.00 0.00 H new ATOM 0 HA GLU A 35 1.868 5.275 6.029 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.102 5.891 7.368 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.494 4.982 8.743 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.366 6.530 9.035 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.964 7.369 7.550 1.00 0.00 H new ATOM 555 N LYS A 36 3.137 3.292 8.301 1.00 0.00 N ATOM 556 CA LYS A 36 4.364 2.951 9.016 1.00 0.00 C ATOM 557 C LYS A 36 5.530 2.683 8.069 1.00 0.00 C ATOM 558 O LYS A 36 6.689 2.791 8.464 1.00 0.00 O ATOM 559 CB LYS A 36 4.125 1.743 9.921 1.00 0.00 C ATOM 560 CG LYS A 36 3.796 0.472 9.132 1.00 0.00 C ATOM 561 CD LYS A 36 3.545 -0.679 10.107 1.00 0.00 C ATOM 562 CE LYS A 36 3.222 -1.955 9.335 1.00 0.00 C ATOM 563 NZ LYS A 36 3.017 -3.090 10.256 1.00 0.00 N ATOM 0 H LYS A 36 2.397 2.594 8.380 1.00 0.00 H new ATOM 0 HA LYS A 36 4.637 3.813 9.625 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.012 1.569 10.530 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.306 1.963 10.606 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.916 0.634 8.509 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.619 0.223 8.462 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.424 -0.835 10.732 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.720 -0.429 10.774 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.326 -1.804 8.733 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.035 -2.183 8.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.799 -3.947 9.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.882 -3.246 10.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.226 -2.878 10.897 1.00 0.00 H new ATOM 577 N TYR A 37 5.224 2.331 6.817 1.00 0.00 N ATOM 578 CA TYR A 37 6.241 2.086 5.806 1.00 0.00 C ATOM 579 C TYR A 37 6.862 3.395 5.327 1.00 0.00 C ATOM 580 O TYR A 37 7.987 3.393 4.834 1.00 0.00 O ATOM 581 CB TYR A 37 5.626 1.329 4.631 1.00 0.00 C ATOM 582 CG TYR A 37 5.185 -0.067 5.006 1.00 0.00 C ATOM 583 CD1 TYR A 37 3.931 -0.267 5.605 1.00 0.00 C ATOM 584 CD2 TYR A 37 6.031 -1.155 4.766 1.00 0.00 C ATOM 585 CE1 TYR A 37 3.534 -1.554 5.984 1.00 0.00 C ATOM 586 CE2 TYR A 37 5.634 -2.448 5.137 1.00 0.00 C ATOM 587 CZ TYR A 37 4.387 -2.651 5.755 1.00 0.00 C ATOM 588 OH TYR A 37 4.010 -3.908 6.134 1.00 0.00 O ATOM 0 H TYR A 37 4.268 2.210 6.483 1.00 0.00 H new ATOM 0 HA TYR A 37 7.033 1.482 6.249 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.770 1.887 4.252 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.353 1.271 3.821 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.273 0.573 5.773 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.990 -0.999 4.295 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.573 -1.706 6.452 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.286 -3.288 4.948 1.00 0.00 H new ATOM 0 HH TYR A 37 4.716 -4.546 5.900 1.00 0.00 H new ATOM 598 N GLY A 38 6.141 4.511 5.473 1.00 0.00 N ATOM 599 CA GLY A 38 6.680 5.813 5.116 1.00 0.00 C ATOM 600 C GLY A 38 5.618 6.904 5.154 1.00 0.00 C ATOM 601 O GLY A 38 5.543 7.662 6.121 1.00 0.00 O ATOM 0 H GLY A 38 5.188 4.532 5.835 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.488 6.070 5.801 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.113 5.764 4.117 1.00 0.00 H new ATOM 605 N ARG A 39 4.800 6.984 4.102 1.00 0.00 N ATOM 606 CA ARG A 39 3.758 7.991 4.006 1.00 0.00 C ATOM 607 C ARG A 39 2.650 7.559 3.051 1.00 0.00 C ATOM 608 O ARG A 39 2.815 6.631 2.265 1.00 0.00 O ATOM 609 CB ARG A 39 4.382 9.321 3.567 1.00 0.00 C ATOM 610 CG ARG A 39 5.386 9.127 2.430 1.00 0.00 C ATOM 611 CD ARG A 39 5.890 10.476 1.918 1.00 0.00 C ATOM 612 NE ARG A 39 6.573 11.236 2.971 1.00 0.00 N ATOM 613 CZ ARG A 39 7.616 12.045 2.754 1.00 0.00 C ATOM 614 NH1 ARG A 39 8.129 12.199 1.536 1.00 0.00 N ATOM 615 NH2 ARG A 39 8.157 12.710 3.771 1.00 0.00 N ATOM 0 H ARG A 39 4.846 6.354 3.301 1.00 0.00 H new ATOM 0 HA ARG A 39 3.297 8.117 4.986 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.595 10.003 3.245 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.880 9.787 4.417 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.227 8.528 2.779 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.918 8.575 1.615 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.573 10.316 1.083 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.050 11.057 1.536 1.00 0.00 H new ATOM 0 HE ARG A 39 6.231 11.142 3.927 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.727 11.695 0.746 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.925 12.821 1.393 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.776 12.602 4.711 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.952 13.328 3.611 1.00 0.00 H new ATOM 629 N VAL A 40 1.519 8.258 3.139 1.00 0.00 N ATOM 630 CA VAL A 40 0.323 8.003 2.344 1.00 0.00 C ATOM 631 C VAL A 40 -0.228 9.351 1.904 1.00 0.00 C ATOM 632 O VAL A 40 -0.331 10.269 2.721 1.00 0.00 O ATOM 633 CB VAL A 40 -0.710 7.252 3.198 1.00 0.00 C ATOM 634 CG1 VAL A 40 -2.058 7.162 2.484 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.224 5.836 3.511 1.00 0.00 C ATOM 0 H VAL A 40 1.409 9.040 3.785 1.00 0.00 H new ATOM 0 HA VAL A 40 0.553 7.389 1.473 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.832 7.813 4.124 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.768 6.625 3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.434 8.166 2.288 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.935 6.630 1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.970 5.321 4.117 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.072 5.289 2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.717 5.887 4.060 1.00 0.00 H new ATOM 645 N GLY A 41 -0.579 9.478 0.629 1.00 0.00 N ATOM 646 CA GLY A 41 -1.125 10.723 0.113 1.00 0.00 C ATOM 647 C GLY A 41 -2.631 10.752 0.313 1.00 0.00 C ATOM 648 O GLY A 41 -3.187 11.800 0.643 1.00 0.00 O ATOM 0 H GLY A 41 -0.494 8.734 -0.064 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.666 11.570 0.623 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.889 10.822 -0.946 1.00 0.00 H new ATOM 652 N ASP A 42 -3.279 9.599 0.122 1.00 0.00 N ATOM 653 CA ASP A 42 -4.705 9.427 0.335 1.00 0.00 C ATOM 654 C ASP A 42 -5.016 7.952 0.551 1.00 0.00 C ATOM 655 O ASP A 42 -4.226 7.073 0.203 1.00 0.00 O ATOM 656 CB ASP A 42 -5.479 9.930 -0.886 1.00 0.00 C ATOM 657 CG ASP A 42 -5.470 11.451 -0.987 1.00 0.00 C ATOM 658 OD1 ASP A 42 -5.954 12.089 -0.024 1.00 0.00 O ATOM 659 OD2 ASP A 42 -4.989 11.972 -2.018 1.00 0.00 O ATOM 0 H ASP A 42 -2.812 8.748 -0.191 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.003 9.998 1.214 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.044 9.505 -1.790 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.509 9.577 -0.832 1.00 0.00 H new ATOM 664 N VAL A 43 -6.184 7.691 1.137 1.00 0.00 N ATOM 665 CA VAL A 43 -6.710 6.354 1.380 1.00 0.00 C ATOM 666 C VAL A 43 -8.202 6.396 1.064 1.00 0.00 C ATOM 667 O VAL A 43 -9.073 6.402 1.927 1.00 0.00 O ATOM 668 CB VAL A 43 -6.311 5.847 2.769 1.00 0.00 C ATOM 669 CG1 VAL A 43 -6.537 6.894 3.858 1.00 0.00 C ATOM 670 CG2 VAL A 43 -7.057 4.561 3.124 1.00 0.00 C ATOM 0 H VAL A 43 -6.807 8.429 1.465 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.272 5.600 0.726 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.242 5.638 2.723 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.239 6.485 4.823 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.941 7.780 3.640 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.592 7.165 3.889 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.753 4.226 4.115 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.131 4.750 3.118 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.821 3.789 2.392 1.00 0.00 H new ATOM 680 N TYR A 44 -8.440 6.436 -0.244 1.00 0.00 N ATOM 681 CA TYR A 44 -9.707 6.697 -0.893 1.00 0.00 C ATOM 682 C TYR A 44 -10.539 5.416 -0.967 1.00 0.00 C ATOM 683 O TYR A 44 -10.000 4.329 -1.162 1.00 0.00 O ATOM 684 CB TYR A 44 -9.301 7.197 -2.287 1.00 0.00 C ATOM 685 CG TYR A 44 -10.284 7.986 -3.123 1.00 0.00 C ATOM 686 CD1 TYR A 44 -11.525 7.442 -3.474 1.00 0.00 C ATOM 687 CD2 TYR A 44 -9.924 9.265 -3.594 1.00 0.00 C ATOM 688 CE1 TYR A 44 -12.373 8.141 -4.347 1.00 0.00 C ATOM 689 CE2 TYR A 44 -10.755 9.955 -4.489 1.00 0.00 C ATOM 690 CZ TYR A 44 -11.973 9.374 -4.890 1.00 0.00 C ATOM 691 OH TYR A 44 -12.763 10.002 -5.804 1.00 0.00 O ATOM 0 H TYR A 44 -7.694 6.274 -0.921 1.00 0.00 H new ATOM 0 HA TYR A 44 -10.328 7.419 -0.363 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -8.411 7.815 -2.164 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.005 6.325 -2.871 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -11.829 6.486 -3.074 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -9.001 9.717 -3.263 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -13.338 7.729 -4.603 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -10.463 10.924 -4.867 1.00 0.00 H new ATOM 0 HH TYR A 44 -12.341 10.843 -6.078 1.00 0.00 H new ATOM 701 N ILE A 45 -11.857 5.543 -0.812 1.00 0.00 N ATOM 702 CA ILE A 45 -12.796 4.446 -1.007 1.00 0.00 C ATOM 703 C ILE A 45 -14.018 5.024 -1.714 1.00 0.00 C ATOM 704 O ILE A 45 -14.537 6.042 -1.261 1.00 0.00 O ATOM 705 CB ILE A 45 -13.244 3.826 0.324 1.00 0.00 C ATOM 706 CG1 ILE A 45 -12.054 3.333 1.149 1.00 0.00 C ATOM 707 CG2 ILE A 45 -14.191 2.652 0.033 1.00 0.00 C ATOM 708 CD1 ILE A 45 -12.492 2.424 2.298 1.00 0.00 C ATOM 0 H ILE A 45 -12.304 6.420 -0.545 1.00 0.00 H new ATOM 0 HA ILE A 45 -12.312 3.660 -1.587 1.00 0.00 H new ATOM 0 HB ILE A 45 -13.754 4.594 0.906 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.363 2.792 0.502 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -11.511 4.189 1.550 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -14.515 2.204 0.973 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -15.061 3.013 -0.516 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -13.670 1.904 -0.565 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -11.616 2.097 2.858 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.162 2.972 2.961 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.011 1.554 1.896 1.00 0.00 H new ATOM 720 N PRO A 46 -14.489 4.404 -2.805 1.00 0.00 N ATOM 721 CA PRO A 46 -15.733 4.775 -3.454 1.00 0.00 C ATOM 722 C PRO A 46 -16.874 4.911 -2.451 1.00 0.00 C ATOM 723 O PRO A 46 -16.888 4.252 -1.414 1.00 0.00 O ATOM 724 CB PRO A 46 -16.011 3.658 -4.458 1.00 0.00 C ATOM 725 CG PRO A 46 -14.609 3.156 -4.809 1.00 0.00 C ATOM 726 CD PRO A 46 -13.857 3.293 -3.490 1.00 0.00 C ATOM 0 HA PRO A 46 -15.654 5.748 -3.939 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -16.626 2.869 -4.024 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -16.540 4.027 -5.337 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -14.626 2.124 -5.159 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -14.152 3.753 -5.598 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -13.924 2.378 -2.902 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.798 3.486 -3.659 1.00 0.00 H new ATOM 734 N ARG A 47 -17.843 5.773 -2.766 1.00 0.00 N ATOM 735 CA ARG A 47 -19.002 6.014 -1.921 1.00 0.00 C ATOM 736 C ARG A 47 -20.261 6.058 -2.779 1.00 0.00 C ATOM 737 O ARG A 47 -21.290 6.582 -2.354 1.00 0.00 O ATOM 738 CB ARG A 47 -18.831 7.326 -1.149 1.00 0.00 C ATOM 739 CG ARG A 47 -17.608 7.308 -0.232 1.00 0.00 C ATOM 740 CD ARG A 47 -17.441 8.690 0.398 1.00 0.00 C ATOM 741 NE ARG A 47 -16.321 8.728 1.343 1.00 0.00 N ATOM 742 CZ ARG A 47 -15.033 8.826 0.992 1.00 0.00 C ATOM 743 NH1 ARG A 47 -14.657 8.844 -0.282 1.00 0.00 N ATOM 744 NH2 ARG A 47 -14.096 8.915 1.933 1.00 0.00 N ATOM 0 H ARG A 47 -17.840 6.325 -3.623 1.00 0.00 H new ATOM 0 HA ARG A 47 -19.095 5.202 -1.199 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -18.740 8.151 -1.856 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -19.725 7.513 -0.554 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -17.730 6.552 0.544 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -16.716 7.042 -0.799 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -17.279 9.429 -0.386 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -18.360 8.968 0.913 1.00 0.00 H new ATOM 0 HE ARG A 47 -16.538 8.676 2.338 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -15.357 8.782 -1.021 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -13.668 8.920 -0.521 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.360 8.908 2.918 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.114 8.990 1.669 1.00 0.00 H new ATOM 758 N ASP A 48 -20.172 5.499 -3.991 1.00 0.00 N ATOM 759 CA ASP A 48 -21.249 5.497 -4.970 1.00 0.00 C ATOM 760 C ASP A 48 -21.967 6.837 -5.059 1.00 0.00 C ATOM 761 O ASP A 48 -23.136 6.884 -5.425 1.00 0.00 O ATOM 762 CB ASP A 48 -22.166 4.311 -4.714 1.00 0.00 C ATOM 763 CG ASP A 48 -21.411 2.999 -4.919 1.00 0.00 C ATOM 764 OD1 ASP A 48 -20.860 2.818 -6.028 1.00 0.00 O ATOM 765 OD2 ASP A 48 -21.388 2.186 -3.970 1.00 0.00 O ATOM 0 H ASP A 48 -19.329 5.027 -4.319 1.00 0.00 H new ATOM 0 HA ASP A 48 -20.824 5.368 -5.965 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -22.556 4.358 -3.697 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -23.023 4.354 -5.387 1.00 0.00 H new ATOM 770 N ARG A 49 -21.235 7.906 -4.718 1.00 0.00 N ATOM 771 CA ARG A 49 -21.624 9.310 -4.710 1.00 0.00 C ATOM 772 C ARG A 49 -23.022 9.629 -4.141 1.00 0.00 C ATOM 773 O ARG A 49 -23.433 10.787 -4.162 1.00 0.00 O ATOM 774 CB ARG A 49 -21.306 9.917 -6.091 1.00 0.00 C ATOM 775 CG ARG A 49 -22.464 9.867 -7.079 1.00 0.00 C ATOM 776 CD ARG A 49 -21.961 10.220 -8.477 1.00 0.00 C ATOM 777 NE ARG A 49 -23.050 10.200 -9.460 1.00 0.00 N ATOM 778 CZ ARG A 49 -23.065 10.927 -10.579 1.00 0.00 C ATOM 779 NH1 ARG A 49 -22.055 11.742 -10.885 1.00 0.00 N ATOM 780 NH2 ARG A 49 -24.102 10.838 -11.408 1.00 0.00 N ATOM 0 H ARG A 49 -20.268 7.792 -4.414 1.00 0.00 H new ATOM 0 HA ARG A 49 -21.016 9.820 -3.963 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -21.002 10.955 -5.957 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -20.455 9.389 -6.520 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -22.910 8.872 -7.082 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -23.244 10.565 -6.776 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -21.502 11.208 -8.461 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -21.187 9.513 -8.776 1.00 0.00 H new ATOM 0 HE ARG A 49 -23.847 9.591 -9.276 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -21.253 11.818 -10.259 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -22.084 12.290 -11.745 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -24.880 10.217 -11.187 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -24.119 11.391 -12.265 1.00 0.00 H new ATOM 794 N TYR A 50 -23.756 8.625 -3.635 1.00 0.00 N ATOM 795 CA TYR A 50 -25.057 8.793 -2.977 1.00 0.00 C ATOM 796 C TYR A 50 -25.523 7.556 -2.193 1.00 0.00 C ATOM 797 O TYR A 50 -26.568 7.629 -1.545 1.00 0.00 O ATOM 798 CB TYR A 50 -26.126 9.159 -4.011 1.00 0.00 C ATOM 799 CG TYR A 50 -26.153 8.235 -5.201 1.00 0.00 C ATOM 800 CD1 TYR A 50 -25.328 8.533 -6.287 1.00 0.00 C ATOM 801 CD2 TYR A 50 -26.961 7.089 -5.227 1.00 0.00 C ATOM 802 CE1 TYR A 50 -25.231 7.663 -7.378 1.00 0.00 C ATOM 803 CE2 TYR A 50 -26.909 6.230 -6.339 1.00 0.00 C ATOM 804 CZ TYR A 50 -26.038 6.509 -7.413 1.00 0.00 C ATOM 805 OH TYR A 50 -25.972 5.665 -8.480 1.00 0.00 O ATOM 0 H TYR A 50 -23.452 7.652 -3.674 1.00 0.00 H new ATOM 0 HA TYR A 50 -24.922 9.596 -2.253 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -27.104 9.148 -3.530 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -25.952 10.178 -4.356 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -24.756 9.449 -6.285 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -27.618 6.868 -4.399 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -24.545 7.874 -8.185 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -27.538 5.353 -6.371 1.00 0.00 H new ATOM 0 HH TYR A 50 -26.592 4.918 -8.345 1.00 0.00 H new ATOM 815 N THR A 51 -24.799 6.427 -2.223 1.00 0.00 N ATOM 816 CA THR A 51 -25.189 5.245 -1.439 1.00 0.00 C ATOM 817 C THR A 51 -24.140 4.895 -0.391 1.00 0.00 C ATOM 818 O THR A 51 -24.438 4.184 0.566 1.00 0.00 O ATOM 819 CB THR A 51 -25.448 4.020 -2.327 1.00 0.00 C ATOM 820 OG1 THR A 51 -24.246 3.319 -2.553 1.00 0.00 O ATOM 821 CG2 THR A 51 -26.044 4.383 -3.681 1.00 0.00 C ATOM 0 H THR A 51 -23.950 6.307 -2.775 1.00 0.00 H new ATOM 0 HA THR A 51 -26.119 5.511 -0.937 1.00 0.00 H new ATOM 0 HB THR A 51 -26.168 3.404 -1.789 1.00 0.00 H new ATOM 0 HG1 THR A 51 -24.425 2.355 -2.554 1.00 0.00 H new ATOM 0 HG21 THR A 51 -26.204 3.475 -4.263 1.00 0.00 H new ATOM 0 HG22 THR A 51 -26.996 4.893 -3.534 1.00 0.00 H new ATOM 0 HG23 THR A 51 -25.359 5.041 -4.216 1.00 0.00 H new ATOM 828 N LYS A 52 -22.918 5.407 -0.581 1.00 0.00 N ATOM 829 CA LYS A 52 -21.767 5.216 0.296 1.00 0.00 C ATOM 830 C LYS A 52 -21.582 3.772 0.758 1.00 0.00 C ATOM 831 O LYS A 52 -21.080 3.527 1.853 1.00 0.00 O ATOM 832 CB LYS A 52 -21.724 6.245 1.440 1.00 0.00 C ATOM 833 CG LYS A 52 -22.859 6.111 2.461 1.00 0.00 C ATOM 834 CD LYS A 52 -24.035 7.028 2.105 1.00 0.00 C ATOM 835 CE LYS A 52 -25.171 6.849 3.110 1.00 0.00 C ATOM 836 NZ LYS A 52 -25.741 5.489 3.043 1.00 0.00 N ATOM 0 H LYS A 52 -22.700 5.991 -1.388 1.00 0.00 H new ATOM 0 HA LYS A 52 -20.888 5.417 -0.316 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -20.771 6.150 1.961 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -21.755 7.247 1.011 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -23.199 5.076 2.497 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -22.489 6.360 3.456 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -23.706 8.067 2.099 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -24.391 6.801 1.100 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -24.801 7.041 4.117 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -25.952 7.583 2.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -26.775 5.550 2.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -25.349 4.988 2.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -25.501 4.969 3.911 1.00 0.00 H new ATOM 850 N GLU A 53 -21.989 2.817 -0.083 1.00 0.00 N ATOM 851 CA GLU A 53 -21.737 1.407 0.122 1.00 0.00 C ATOM 852 C GLU A 53 -20.245 1.124 -0.111 1.00 0.00 C ATOM 853 O GLU A 53 -19.418 2.033 -0.042 1.00 0.00 O ATOM 854 CB GLU A 53 -22.625 0.602 -0.834 1.00 0.00 C ATOM 855 CG GLU A 53 -24.095 0.711 -0.427 1.00 0.00 C ATOM 856 CD GLU A 53 -24.972 -0.143 -1.339 1.00 0.00 C ATOM 857 OE1 GLU A 53 -25.370 0.368 -2.410 1.00 0.00 O ATOM 858 OE2 GLU A 53 -25.241 -1.305 -0.960 1.00 0.00 O ATOM 0 H GLU A 53 -22.511 3.016 -0.937 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.979 1.112 1.143 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -22.496 0.968 -1.853 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.318 -0.444 -0.830 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -24.216 0.389 0.607 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -24.415 1.752 -0.477 1.00 0.00 H new ATOM 865 N SER A 54 -19.894 -0.134 -0.383 1.00 0.00 N ATOM 866 CA SER A 54 -18.507 -0.558 -0.522 1.00 0.00 C ATOM 867 C SER A 54 -18.333 -1.517 -1.698 1.00 0.00 C ATOM 868 O SER A 54 -19.307 -1.944 -2.318 1.00 0.00 O ATOM 869 CB SER A 54 -18.054 -1.202 0.788 1.00 0.00 C ATOM 870 OG SER A 54 -16.679 -1.526 0.727 1.00 0.00 O ATOM 0 H SER A 54 -20.569 -0.887 -0.513 1.00 0.00 H new ATOM 0 HA SER A 54 -17.885 0.312 -0.732 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.237 -0.520 1.618 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.638 -2.102 0.980 1.00 0.00 H new ATOM 0 HG SER A 54 -16.402 -1.936 1.573 1.00 0.00 H new ATOM 876 N ARG A 55 -17.074 -1.852 -2.007 1.00 0.00 N ATOM 877 CA ARG A 55 -16.720 -2.689 -3.149 1.00 0.00 C ATOM 878 C ARG A 55 -15.651 -3.721 -2.786 1.00 0.00 C ATOM 879 O ARG A 55 -15.195 -4.462 -3.657 1.00 0.00 O ATOM 880 CB ARG A 55 -16.251 -1.806 -4.309 1.00 0.00 C ATOM 881 CG ARG A 55 -17.338 -0.821 -4.753 1.00 0.00 C ATOM 882 CD ARG A 55 -16.824 -0.001 -5.934 1.00 0.00 C ATOM 883 NE ARG A 55 -17.787 1.031 -6.325 1.00 0.00 N ATOM 884 CZ ARG A 55 -17.498 2.033 -7.164 1.00 0.00 C ATOM 885 NH1 ARG A 55 -16.295 2.123 -7.727 1.00 0.00 N ATOM 886 NH2 ARG A 55 -18.413 2.956 -7.442 1.00 0.00 N ATOM 0 H ARG A 55 -16.268 -1.544 -1.463 1.00 0.00 H new ATOM 0 HA ARG A 55 -17.608 -3.243 -3.454 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -15.361 -1.253 -4.008 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -15.965 -2.435 -5.152 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -18.241 -1.362 -5.036 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -17.607 -0.162 -3.927 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -15.875 0.466 -5.670 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -16.630 -0.660 -6.780 1.00 0.00 H new ATOM 0 HE ARG A 55 -18.729 0.984 -5.937 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.582 1.424 -7.521 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -16.087 2.891 -8.365 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -19.338 2.902 -7.016 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -18.190 3.719 -8.082 1.00 0.00 H new ATOM 900 N GLY A 56 -15.245 -3.780 -1.515 1.00 0.00 N ATOM 901 CA GLY A 56 -14.299 -4.787 -1.053 1.00 0.00 C ATOM 902 C GLY A 56 -12.850 -4.314 -1.118 1.00 0.00 C ATOM 903 O GLY A 56 -11.941 -5.140 -1.030 1.00 0.00 O ATOM 0 H GLY A 56 -15.561 -3.137 -0.789 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.541 -5.061 -0.026 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.410 -5.687 -1.658 1.00 0.00 H new ATOM 907 N PHE A 57 -12.608 -3.009 -1.266 1.00 0.00 N ATOM 908 CA PHE A 57 -11.253 -2.489 -1.325 1.00 0.00 C ATOM 909 C PHE A 57 -11.199 -1.031 -0.882 1.00 0.00 C ATOM 910 O PHE A 57 -12.227 -0.379 -0.715 1.00 0.00 O ATOM 911 CB PHE A 57 -10.718 -2.644 -2.748 1.00 0.00 C ATOM 912 CG PHE A 57 -11.471 -1.863 -3.801 1.00 0.00 C ATOM 913 CD1 PHE A 57 -11.074 -0.554 -4.113 1.00 0.00 C ATOM 914 CD2 PHE A 57 -12.558 -2.442 -4.481 1.00 0.00 C ATOM 915 CE1 PHE A 57 -11.740 0.169 -5.111 1.00 0.00 C ATOM 916 CE2 PHE A 57 -13.207 -1.729 -5.494 1.00 0.00 C ATOM 917 CZ PHE A 57 -12.810 -0.421 -5.799 1.00 0.00 C ATOM 0 H PHE A 57 -13.336 -2.299 -1.346 1.00 0.00 H new ATOM 0 HA PHE A 57 -10.626 -3.058 -0.638 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.674 -2.333 -2.764 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -10.740 -3.700 -3.015 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -10.250 -0.101 -3.581 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -12.891 -3.436 -4.221 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -11.431 1.176 -5.349 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -14.016 -2.188 -6.042 1.00 0.00 H new ATOM 0 HZ PHE A 57 -13.329 0.135 -6.566 1.00 0.00 H new ATOM 927 N ALA A 58 -9.974 -0.536 -0.697 1.00 0.00 N ATOM 928 CA ALA A 58 -9.712 0.845 -0.344 1.00 0.00 C ATOM 929 C ALA A 58 -8.426 1.269 -1.045 1.00 0.00 C ATOM 930 O ALA A 58 -7.329 0.927 -0.606 1.00 0.00 O ATOM 931 CB ALA A 58 -9.601 1.016 1.178 1.00 0.00 C ATOM 0 H ALA A 58 -9.128 -1.099 -0.792 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.538 1.478 -0.668 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.404 2.062 1.413 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.535 0.708 1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -8.785 0.400 1.555 1.00 0.00 H new ATOM 937 N PHE A 59 -8.594 2.007 -2.142 1.00 0.00 N ATOM 938 CA PHE A 59 -7.531 2.445 -3.020 1.00 0.00 C ATOM 939 C PHE A 59 -6.682 3.481 -2.295 1.00 0.00 C ATOM 940 O PHE A 59 -6.937 4.683 -2.359 1.00 0.00 O ATOM 941 CB PHE A 59 -8.163 2.972 -4.312 1.00 0.00 C ATOM 942 CG PHE A 59 -7.211 3.668 -5.260 1.00 0.00 C ATOM 943 CD1 PHE A 59 -6.503 2.959 -6.244 1.00 0.00 C ATOM 944 CD2 PHE A 59 -7.051 5.055 -5.152 1.00 0.00 C ATOM 945 CE1 PHE A 59 -5.605 3.640 -7.079 1.00 0.00 C ATOM 946 CE2 PHE A 59 -6.171 5.730 -5.996 1.00 0.00 C ATOM 947 CZ PHE A 59 -5.425 5.024 -6.946 1.00 0.00 C ATOM 0 H PHE A 59 -9.514 2.324 -2.448 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.863 1.628 -3.291 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -8.627 2.137 -4.837 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -8.961 3.667 -4.050 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -6.649 1.895 -6.357 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.612 5.604 -4.411 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.049 3.095 -7.828 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.065 6.802 -5.916 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.715 5.542 -7.573 1.00 0.00 H new ATOM 957 N VAL A 60 -5.657 3.003 -1.589 1.00 0.00 N ATOM 958 CA VAL A 60 -4.684 3.902 -0.990 1.00 0.00 C ATOM 959 C VAL A 60 -3.793 4.401 -2.115 1.00 0.00 C ATOM 960 O VAL A 60 -3.720 3.743 -3.152 1.00 0.00 O ATOM 961 CB VAL A 60 -3.875 3.175 0.088 1.00 0.00 C ATOM 962 CG1 VAL A 60 -2.828 4.081 0.739 1.00 0.00 C ATOM 963 CG2 VAL A 60 -4.812 2.710 1.192 1.00 0.00 C ATOM 0 H VAL A 60 -5.484 2.012 -1.422 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.173 4.742 -0.497 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.371 2.342 -0.402 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.281 3.519 1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.133 4.438 -0.021 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.323 4.932 1.206 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.239 2.192 1.961 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.313 3.573 1.632 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.557 2.032 0.776 1.00 0.00 H new ATOM 973 N ARG A 61 -3.123 5.536 -1.921 1.00 0.00 N ATOM 974 CA ARG A 61 -2.186 6.052 -2.902 1.00 0.00 C ATOM 975 C ARG A 61 -0.943 6.604 -2.189 1.00 0.00 C ATOM 976 O ARG A 61 -1.062 7.414 -1.267 1.00 0.00 O ATOM 977 CB ARG A 61 -2.900 7.061 -3.823 1.00 0.00 C ATOM 978 CG ARG A 61 -2.780 8.510 -3.349 1.00 0.00 C ATOM 979 CD ARG A 61 -3.571 9.421 -4.287 1.00 0.00 C ATOM 980 NE ARG A 61 -3.149 9.222 -5.680 1.00 0.00 N ATOM 981 CZ ARG A 61 -3.990 9.046 -6.704 1.00 0.00 C ATOM 982 NH1 ARG A 61 -5.305 9.147 -6.534 1.00 0.00 N ATOM 983 NH2 ARG A 61 -3.520 8.764 -7.918 1.00 0.00 N ATOM 0 H ARG A 61 -3.217 6.114 -1.086 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.825 5.258 -3.556 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.485 6.980 -4.828 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.955 6.795 -3.891 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.158 8.603 -2.331 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.733 8.812 -3.329 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.637 9.213 -4.191 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.422 10.462 -4.002 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.149 9.218 -5.879 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.685 9.362 -5.612 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.934 9.010 -7.326 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.515 8.682 -8.069 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.165 8.630 -8.696 1.00 0.00 H new ATOM 997 N PHE A 62 0.245 6.161 -2.617 1.00 0.00 N ATOM 998 CA PHE A 62 1.534 6.543 -2.058 1.00 0.00 C ATOM 999 C PHE A 62 2.241 7.495 -3.012 1.00 0.00 C ATOM 1000 O PHE A 62 1.748 7.718 -4.118 1.00 0.00 O ATOM 1001 CB PHE A 62 2.389 5.289 -1.900 1.00 0.00 C ATOM 1002 CG PHE A 62 2.154 4.483 -0.652 1.00 0.00 C ATOM 1003 CD1 PHE A 62 0.905 3.902 -0.387 1.00 0.00 C ATOM 1004 CD2 PHE A 62 3.219 4.305 0.240 1.00 0.00 C ATOM 1005 CE1 PHE A 62 0.720 3.153 0.784 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.047 3.530 1.392 1.00 0.00 C ATOM 1007 CZ PHE A 62 1.803 2.945 1.654 1.00 0.00 C ATOM 0 H PHE A 62 0.331 5.502 -3.391 1.00 0.00 H new ATOM 0 HA PHE A 62 1.386 7.030 -1.094 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.217 4.645 -2.762 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.438 5.583 -1.926 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.089 4.031 -1.082 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.174 4.767 0.038 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.250 2.738 1.016 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.870 3.384 2.076 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.675 2.329 2.532 1.00 0.00 H new ATOM 1017 N HIS A 63 3.384 8.036 -2.572 1.00 0.00 N ATOM 1018 CA HIS A 63 4.139 9.018 -3.343 1.00 0.00 C ATOM 1019 C HIS A 63 5.644 8.774 -3.375 1.00 0.00 C ATOM 1020 O HIS A 63 6.275 8.984 -4.409 1.00 0.00 O ATOM 1021 CB HIS A 63 3.883 10.438 -2.826 1.00 0.00 C ATOM 1022 CG HIS A 63 3.229 10.607 -1.476 1.00 0.00 C ATOM 1023 ND1 HIS A 63 3.416 9.861 -0.336 1.00 0.00 N flip ATOM 1024 CD2 HIS A 63 2.301 11.619 -1.211 1.00 0.00 C flip ATOM 1025 CE1 HIS A 63 2.605 10.425 0.620 1.00 0.00 C flip ATOM 1026 NE2 HIS A 63 1.962 11.469 0.074 1.00 0.00 N flip ATOM 0 H HIS A 63 3.806 7.803 -1.673 1.00 0.00 H new ATOM 0 HA HIS A 63 3.774 8.905 -4.364 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.841 10.958 -2.798 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.263 10.951 -3.561 1.00 0.00 H new ATOM 0 HD1 HIS A 63 4.030 9.055 -0.223 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.935 12.366 -1.900 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.502 10.085 1.640 1.00 0.00 H new ATOM 1034 N ASP A 64 6.245 8.334 -2.273 1.00 0.00 N ATOM 1035 CA ASP A 64 7.677 8.087 -2.256 1.00 0.00 C ATOM 1036 C ASP A 64 7.947 6.676 -2.768 1.00 0.00 C ATOM 1037 O ASP A 64 7.404 5.707 -2.246 1.00 0.00 O ATOM 1038 CB ASP A 64 8.193 8.269 -0.834 1.00 0.00 C ATOM 1039 CG ASP A 64 8.658 9.703 -0.593 1.00 0.00 C ATOM 1040 OD1 ASP A 64 7.833 10.621 -0.803 1.00 0.00 O ATOM 1041 OD2 ASP A 64 9.835 9.868 -0.202 1.00 0.00 O ATOM 0 H ASP A 64 5.767 8.144 -1.392 1.00 0.00 H new ATOM 0 HA ASP A 64 8.197 8.791 -2.905 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.406 8.015 -0.124 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.019 7.581 -0.654 1.00 0.00 H new ATOM 1046 N LYS A 65 8.789 6.556 -3.799 1.00 0.00 N ATOM 1047 CA LYS A 65 9.081 5.269 -4.414 1.00 0.00 C ATOM 1048 C LYS A 65 9.543 4.260 -3.368 1.00 0.00 C ATOM 1049 O LYS A 65 9.019 3.149 -3.335 1.00 0.00 O ATOM 1050 CB LYS A 65 10.137 5.448 -5.514 1.00 0.00 C ATOM 1051 CG LYS A 65 10.691 4.115 -6.033 1.00 0.00 C ATOM 1052 CD LYS A 65 9.619 3.170 -6.591 1.00 0.00 C ATOM 1053 CE LYS A 65 8.871 3.767 -7.783 1.00 0.00 C ATOM 1054 NZ LYS A 65 9.768 3.998 -8.932 1.00 0.00 N ATOM 0 H LYS A 65 9.280 7.343 -4.223 1.00 0.00 H new ATOM 0 HA LYS A 65 8.169 4.878 -4.866 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.699 6.001 -6.345 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.958 6.051 -5.127 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.425 4.317 -6.813 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.218 3.612 -5.222 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.087 2.233 -6.893 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.906 2.930 -5.803 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.065 3.096 -8.080 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.409 4.709 -7.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.205 4.274 -9.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.440 4.758 -8.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.292 3.125 -9.144 1.00 0.00 H new ATOM 1068 N ARG A 66 10.508 4.634 -2.518 1.00 0.00 N ATOM 1069 CA ARG A 66 11.123 3.699 -1.582 1.00 0.00 C ATOM 1070 C ARG A 66 10.137 3.044 -0.618 1.00 0.00 C ATOM 1071 O ARG A 66 10.412 1.950 -0.125 1.00 0.00 O ATOM 1072 CB ARG A 66 12.298 4.369 -0.853 1.00 0.00 C ATOM 1073 CG ARG A 66 12.020 5.773 -0.294 1.00 0.00 C ATOM 1074 CD ARG A 66 11.146 5.795 0.960 1.00 0.00 C ATOM 1075 NE ARG A 66 11.802 5.120 2.085 1.00 0.00 N ATOM 1076 CZ ARG A 66 11.312 5.119 3.327 1.00 0.00 C ATOM 1077 NH1 ARG A 66 10.159 5.725 3.606 1.00 0.00 N ATOM 1078 NH2 ARG A 66 11.977 4.510 4.306 1.00 0.00 N ATOM 0 H ARG A 66 10.877 5.583 -2.464 1.00 0.00 H new ATOM 0 HA ARG A 66 11.510 2.871 -2.176 1.00 0.00 H new ATOM 0 HB2 ARG A 66 12.606 3.724 -0.030 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.141 4.432 -1.541 1.00 0.00 H new ATOM 0 HG2 ARG A 66 12.971 6.255 -0.067 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.537 6.369 -1.068 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.925 6.827 1.232 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.193 5.310 0.749 1.00 0.00 H new ATOM 0 HE ARG A 66 12.677 4.626 1.910 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.639 6.197 2.866 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.796 5.717 4.559 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.862 4.043 4.108 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.602 4.510 5.254 1.00 0.00 H new ATOM 1092 N ASP A 67 8.998 3.677 -0.339 1.00 0.00 N ATOM 1093 CA ASP A 67 8.013 3.110 0.573 1.00 0.00 C ATOM 1094 C ASP A 67 6.756 2.675 -0.171 1.00 0.00 C ATOM 1095 O ASP A 67 5.869 2.057 0.412 1.00 0.00 O ATOM 1096 CB ASP A 67 7.722 4.058 1.734 1.00 0.00 C ATOM 1097 CG ASP A 67 7.377 5.481 1.314 1.00 0.00 C ATOM 1098 OD1 ASP A 67 6.351 5.653 0.624 1.00 0.00 O ATOM 1099 OD2 ASP A 67 8.154 6.386 1.697 1.00 0.00 O ATOM 0 H ASP A 67 8.737 4.581 -0.732 1.00 0.00 H new ATOM 0 HA ASP A 67 8.436 2.207 1.014 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.895 3.654 2.318 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.592 4.087 2.390 1.00 0.00 H new ATOM 1104 N ALA A 68 6.688 2.991 -1.464 1.00 0.00 N ATOM 1105 CA ALA A 68 5.679 2.457 -2.347 1.00 0.00 C ATOM 1106 C ALA A 68 6.101 1.026 -2.688 1.00 0.00 C ATOM 1107 O ALA A 68 5.290 0.101 -2.627 1.00 0.00 O ATOM 1108 CB ALA A 68 5.630 3.335 -3.602 1.00 0.00 C ATOM 0 H ALA A 68 7.340 3.629 -1.920 1.00 0.00 H new ATOM 0 HA ALA A 68 4.687 2.449 -1.895 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.873 2.950 -4.286 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.379 4.358 -3.321 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.603 3.322 -4.093 1.00 0.00 H new ATOM 1114 N GLU A 69 7.378 0.840 -3.039 1.00 0.00 N ATOM 1115 CA GLU A 69 7.874 -0.481 -3.385 1.00 0.00 C ATOM 1116 C GLU A 69 8.140 -1.327 -2.137 1.00 0.00 C ATOM 1117 O GLU A 69 7.998 -2.545 -2.210 1.00 0.00 O ATOM 1118 CB GLU A 69 9.128 -0.387 -4.262 1.00 0.00 C ATOM 1119 CG GLU A 69 10.331 0.211 -3.539 1.00 0.00 C ATOM 1120 CD GLU A 69 11.621 -0.091 -4.301 1.00 0.00 C ATOM 1121 OE1 GLU A 69 11.936 0.677 -5.240 1.00 0.00 O ATOM 1122 OE2 GLU A 69 12.288 -1.088 -3.943 1.00 0.00 O ATOM 0 H GLU A 69 8.074 1.584 -3.089 1.00 0.00 H new ATOM 0 HA GLU A 69 7.096 -0.981 -3.961 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.387 -1.383 -4.620 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.903 0.219 -5.140 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.204 1.289 -3.441 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.395 -0.196 -2.530 1.00 0.00 H new ATOM 1129 N ASP A 70 8.521 -0.726 -1.002 1.00 0.00 N ATOM 1130 CA ASP A 70 8.750 -1.518 0.196 1.00 0.00 C ATOM 1131 C ASP A 70 7.435 -2.040 0.769 1.00 0.00 C ATOM 1132 O ASP A 70 7.358 -3.206 1.147 1.00 0.00 O ATOM 1133 CB ASP A 70 9.503 -0.693 1.237 1.00 0.00 C ATOM 1134 CG ASP A 70 9.866 -1.535 2.460 1.00 0.00 C ATOM 1135 OD1 ASP A 70 10.651 -2.492 2.289 1.00 0.00 O ATOM 1136 OD2 ASP A 70 9.354 -1.213 3.553 1.00 0.00 O ATOM 0 H ASP A 70 8.672 0.277 -0.896 1.00 0.00 H new ATOM 0 HA ASP A 70 9.360 -2.380 -0.075 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.410 -0.284 0.792 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.890 0.154 1.545 1.00 0.00 H new ATOM 1141 N ALA A 71 6.398 -1.198 0.837 1.00 0.00 N ATOM 1142 CA ALA A 71 5.112 -1.627 1.372 1.00 0.00 C ATOM 1143 C ALA A 71 4.524 -2.736 0.508 1.00 0.00 C ATOM 1144 O ALA A 71 3.850 -3.632 1.015 1.00 0.00 O ATOM 1145 CB ALA A 71 4.163 -0.431 1.427 1.00 0.00 C ATOM 0 H ALA A 71 6.428 -0.226 0.530 1.00 0.00 H new ATOM 0 HA ALA A 71 5.252 -2.019 2.379 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.200 -0.749 1.827 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.586 0.340 2.070 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.024 -0.030 0.423 1.00 0.00 H new ATOM 1151 N MET A 72 4.783 -2.678 -0.797 1.00 0.00 N ATOM 1152 CA MET A 72 4.363 -3.709 -1.727 1.00 0.00 C ATOM 1153 C MET A 72 5.193 -4.968 -1.541 1.00 0.00 C ATOM 1154 O MET A 72 4.655 -6.075 -1.553 1.00 0.00 O ATOM 1155 CB MET A 72 4.559 -3.134 -3.126 1.00 0.00 C ATOM 1156 CG MET A 72 4.604 -4.170 -4.242 1.00 0.00 C ATOM 1157 SD MET A 72 4.454 -3.451 -5.903 1.00 0.00 S ATOM 1158 CE MET A 72 5.559 -2.020 -5.743 1.00 0.00 C ATOM 0 H MET A 72 5.292 -1.910 -1.234 1.00 0.00 H new ATOM 0 HA MET A 72 3.323 -3.989 -1.561 1.00 0.00 H new ATOM 0 HB2 MET A 72 3.750 -2.433 -3.332 1.00 0.00 H new ATOM 0 HB3 MET A 72 5.487 -2.563 -3.142 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.541 -4.722 -4.177 1.00 0.00 H new ATOM 0 HG3 MET A 72 3.799 -4.890 -4.092 1.00 0.00 H new ATOM 0 HE1 MET A 72 5.719 -1.573 -6.724 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.107 -1.284 -5.078 1.00 0.00 H new ATOM 0 HE3 MET A 72 6.515 -2.343 -5.331 1.00 0.00 H new ATOM 1168 N ASP A 73 6.506 -4.815 -1.365 1.00 0.00 N ATOM 1169 CA ASP A 73 7.401 -5.950 -1.229 1.00 0.00 C ATOM 1170 C ASP A 73 7.384 -6.501 0.197 1.00 0.00 C ATOM 1171 O ASP A 73 8.132 -7.429 0.504 1.00 0.00 O ATOM 1172 CB ASP A 73 8.811 -5.522 -1.637 1.00 0.00 C ATOM 1173 CG ASP A 73 9.770 -6.709 -1.716 1.00 0.00 C ATOM 1174 OD1 ASP A 73 9.469 -7.646 -2.493 1.00 0.00 O ATOM 1175 OD2 ASP A 73 10.797 -6.674 -1.001 1.00 0.00 O ATOM 0 H ASP A 73 6.969 -3.908 -1.314 1.00 0.00 H new ATOM 0 HA ASP A 73 7.064 -6.753 -1.884 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.772 -5.022 -2.605 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.191 -4.796 -0.919 1.00 0.00 H new ATOM 1180 N ALA A 74 6.538 -5.947 1.071 1.00 0.00 N ATOM 1181 CA ALA A 74 6.507 -6.339 2.470 1.00 0.00 C ATOM 1182 C ALA A 74 5.101 -6.654 2.973 1.00 0.00 C ATOM 1183 O ALA A 74 4.956 -7.109 4.107 1.00 0.00 O ATOM 1184 CB ALA A 74 7.094 -5.201 3.288 1.00 0.00 C ATOM 0 H ALA A 74 5.864 -5.222 0.825 1.00 0.00 H new ATOM 0 HA ALA A 74 7.087 -7.256 2.577 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.083 -5.469 4.344 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.120 -5.017 2.971 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.500 -4.300 3.136 1.00 0.00 H new ATOM 1190 N MET A 75 4.063 -6.422 2.158 1.00 0.00 N ATOM 1191 CA MET A 75 2.708 -6.744 2.591 1.00 0.00 C ATOM 1192 C MET A 75 1.845 -7.410 1.525 1.00 0.00 C ATOM 1193 O MET A 75 0.944 -8.167 1.888 1.00 0.00 O ATOM 1194 CB MET A 75 1.998 -5.477 3.059 1.00 0.00 C ATOM 1195 CG MET A 75 1.064 -5.840 4.211 1.00 0.00 C ATOM 1196 SD MET A 75 -0.160 -4.576 4.626 1.00 0.00 S ATOM 1197 CE MET A 75 0.943 -3.186 4.961 1.00 0.00 C ATOM 0 H MET A 75 4.136 -6.024 1.222 1.00 0.00 H new ATOM 0 HA MET A 75 2.828 -7.465 3.400 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.726 -4.733 3.382 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.433 -5.035 2.239 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.541 -6.762 3.959 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.666 -6.047 5.096 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.352 -2.294 5.166 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.565 -3.416 5.826 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.579 -3.009 4.094 1.00 0.00 H new ATOM 1207 N ASP A 76 2.073 -7.168 0.230 1.00 0.00 N ATOM 1208 CA ASP A 76 1.233 -7.842 -0.750 1.00 0.00 C ATOM 1209 C ASP A 76 1.436 -9.353 -0.656 1.00 0.00 C ATOM 1210 O ASP A 76 2.557 -9.837 -0.517 1.00 0.00 O ATOM 1211 CB ASP A 76 1.526 -7.339 -2.164 1.00 0.00 C ATOM 1212 CG ASP A 76 1.132 -8.356 -3.236 1.00 0.00 C ATOM 1213 OD1 ASP A 76 -0.084 -8.584 -3.398 1.00 0.00 O ATOM 1214 OD2 ASP A 76 2.047 -8.900 -3.890 1.00 0.00 O ATOM 0 H ASP A 76 2.790 -6.547 -0.144 1.00 0.00 H new ATOM 0 HA ASP A 76 0.190 -7.614 -0.530 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.987 -6.407 -2.335 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.589 -7.113 -2.254 1.00 0.00 H new ATOM 1219 N GLY A 77 0.328 -10.094 -0.736 1.00 0.00 N ATOM 1220 CA GLY A 77 0.341 -11.550 -0.715 1.00 0.00 C ATOM 1221 C GLY A 77 0.631 -12.123 0.674 1.00 0.00 C ATOM 1222 O GLY A 77 0.870 -13.322 0.799 1.00 0.00 O ATOM 0 H GLY A 77 -0.607 -9.694 -0.818 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.623 -11.922 -1.062 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.093 -11.912 -1.416 1.00 0.00 H new ATOM 1226 N ALA A 78 0.618 -11.288 1.719 1.00 0.00 N ATOM 1227 CA ALA A 78 0.878 -11.727 3.087 1.00 0.00 C ATOM 1228 C ALA A 78 -0.386 -12.318 3.710 1.00 0.00 C ATOM 1229 O ALA A 78 -0.627 -12.197 4.909 1.00 0.00 O ATOM 1230 CB ALA A 78 1.403 -10.547 3.904 1.00 0.00 C ATOM 0 H ALA A 78 0.427 -10.290 1.636 1.00 0.00 H new ATOM 0 HA ALA A 78 1.635 -12.512 3.081 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.598 -10.871 4.926 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.326 -10.177 3.458 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.659 -9.750 3.912 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.193 -12.954 2.860 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.532 -13.409 3.190 1.00 0.00 C ATOM 1238 C VAL A 79 -2.567 -14.626 4.104 1.00 0.00 C ATOM 1239 O VAL A 79 -1.536 -15.215 4.433 1.00 0.00 O ATOM 1240 CB VAL A 79 -3.272 -13.687 1.885 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -2.778 -14.951 1.181 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -4.776 -13.702 2.021 1.00 0.00 C ATOM 0 H VAL A 79 -0.921 -13.169 1.901 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.021 -12.619 3.760 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.027 -12.834 1.253 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.341 -15.098 0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.719 -14.847 0.947 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.922 -15.811 1.835 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.227 -13.906 1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.070 -14.478 2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.118 -12.733 2.384 1.00 0.00 H new ATOM 1252 N LEU A 80 -3.787 -14.978 4.505 1.00 0.00 N ATOM 1253 CA LEU A 80 -4.028 -16.148 5.350 1.00 0.00 C ATOM 1254 C LEU A 80 -5.425 -16.743 5.148 1.00 0.00 C ATOM 1255 O LEU A 80 -5.805 -17.676 5.852 1.00 0.00 O ATOM 1256 CB LEU A 80 -3.779 -15.804 6.829 1.00 0.00 C ATOM 1257 CG LEU A 80 -4.974 -15.163 7.553 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -4.579 -14.887 9.001 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -5.411 -13.852 6.910 1.00 0.00 C ATOM 0 H LEU A 80 -4.632 -14.464 4.256 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.319 -16.917 5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.499 -16.716 7.357 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.928 -15.125 6.891 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.810 -15.859 7.491 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.418 -14.432 9.527 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.310 -15.823 9.489 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.726 -14.208 9.023 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.258 -13.442 7.460 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.584 -13.142 6.934 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.704 -14.034 5.876 1.00 0.00 H new ATOM 1271 N ASP A 81 -6.187 -16.210 4.190 1.00 0.00 N ATOM 1272 CA ASP A 81 -7.561 -16.630 3.958 1.00 0.00 C ATOM 1273 C ASP A 81 -7.898 -16.678 2.469 1.00 0.00 C ATOM 1274 O ASP A 81 -8.996 -17.079 2.093 1.00 0.00 O ATOM 1275 CB ASP A 81 -8.486 -15.651 4.690 1.00 0.00 C ATOM 1276 CG ASP A 81 -9.966 -16.007 4.540 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -10.345 -17.111 4.992 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -10.702 -15.164 3.978 1.00 0.00 O ATOM 0 H ASP A 81 -5.865 -15.477 3.558 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.697 -17.642 4.340 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.226 -15.636 5.749 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.319 -14.645 4.306 1.00 0.00 H new ATOM 1283 N GLY A 82 -6.959 -16.271 1.605 1.00 0.00 N ATOM 1284 CA GLY A 82 -7.193 -16.247 0.168 1.00 0.00 C ATOM 1285 C GLY A 82 -7.284 -14.806 -0.315 1.00 0.00 C ATOM 1286 O GLY A 82 -7.285 -14.550 -1.520 1.00 0.00 O ATOM 0 H GLY A 82 -6.030 -15.955 1.884 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.385 -16.764 -0.350 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.115 -16.779 -0.069 1.00 0.00 H new ATOM 1290 N ARG A 83 -7.360 -13.868 0.637 1.00 0.00 N ATOM 1291 CA ARG A 83 -7.310 -12.442 0.375 1.00 0.00 C ATOM 1292 C ARG A 83 -6.961 -11.724 1.670 1.00 0.00 C ATOM 1293 O ARG A 83 -7.608 -11.947 2.689 1.00 0.00 O ATOM 1294 CB ARG A 83 -8.658 -11.984 -0.183 1.00 0.00 C ATOM 1295 CG ARG A 83 -8.892 -10.498 0.087 1.00 0.00 C ATOM 1296 CD ARG A 83 -9.755 -10.232 1.321 1.00 0.00 C ATOM 1297 NE ARG A 83 -11.033 -10.955 1.275 1.00 0.00 N ATOM 1298 CZ ARG A 83 -11.288 -12.091 1.937 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -10.359 -12.665 2.697 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -12.483 -12.664 1.842 1.00 0.00 N ATOM 0 H ARG A 83 -7.460 -14.093 1.627 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.547 -12.207 -0.367 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.693 -12.171 -1.256 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.459 -12.569 0.269 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.929 -10.003 0.213 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.369 -10.049 -0.784 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.206 -10.526 2.216 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.948 -9.162 1.403 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.778 -10.564 0.699 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.436 -12.240 2.782 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.570 -13.530 3.194 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.208 -12.239 1.264 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.675 -13.529 2.347 1.00 0.00 H new ATOM 1314 N GLU A 84 -5.941 -10.865 1.616 1.00 0.00 N ATOM 1315 CA GLU A 84 -5.606 -9.950 2.695 1.00 0.00 C ATOM 1316 C GLU A 84 -5.106 -8.639 2.089 1.00 0.00 C ATOM 1317 O GLU A 84 -5.569 -7.566 2.467 1.00 0.00 O ATOM 1318 CB GLU A 84 -4.517 -10.509 3.609 1.00 0.00 C ATOM 1319 CG GLU A 84 -5.062 -11.406 4.724 1.00 0.00 C ATOM 1320 CD GLU A 84 -5.829 -10.601 5.767 1.00 0.00 C ATOM 1321 OE1 GLU A 84 -5.168 -10.054 6.678 1.00 0.00 O ATOM 1322 OE2 GLU A 84 -7.074 -10.537 5.653 1.00 0.00 O ATOM 0 H GLU A 84 -5.321 -10.789 0.810 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.504 -9.798 3.294 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.806 -11.078 3.010 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.967 -9.681 4.055 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.717 -12.164 4.295 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.237 -11.933 5.204 1.00 0.00 H new ATOM 1329 N LEU A 85 -4.158 -8.730 1.143 1.00 0.00 N ATOM 1330 CA LEU A 85 -3.607 -7.568 0.452 1.00 0.00 C ATOM 1331 C LEU A 85 -3.417 -7.818 -1.035 1.00 0.00 C ATOM 1332 O LEU A 85 -3.251 -8.959 -1.464 1.00 0.00 O ATOM 1333 CB LEU A 85 -2.192 -7.234 0.953 1.00 0.00 C ATOM 1334 CG LEU A 85 -2.025 -6.595 2.329 1.00 0.00 C ATOM 1335 CD1 LEU A 85 -2.978 -5.418 2.513 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -2.195 -7.627 3.435 1.00 0.00 C ATOM 0 H LEU A 85 -3.755 -9.617 0.840 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.324 -6.770 0.645 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.614 -8.158 0.947 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.733 -6.567 0.223 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.009 -6.205 2.394 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.834 -4.985 3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.775 -4.663 1.753 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.007 -5.764 2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.071 -7.145 4.405 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.191 -8.066 3.373 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.445 -8.410 3.321 1.00 0.00 H new ATOM 1348 N ARG A 86 -3.438 -6.717 -1.794 1.00 0.00 N ATOM 1349 CA ARG A 86 -3.010 -6.630 -3.179 1.00 0.00 C ATOM 1350 C ARG A 86 -2.547 -5.194 -3.400 1.00 0.00 C ATOM 1351 O ARG A 86 -3.361 -4.272 -3.366 1.00 0.00 O ATOM 1352 CB ARG A 86 -4.127 -6.993 -4.165 1.00 0.00 C ATOM 1353 CG ARG A 86 -4.362 -8.501 -4.267 1.00 0.00 C ATOM 1354 CD ARG A 86 -3.056 -9.221 -4.605 1.00 0.00 C ATOM 1355 NE ARG A 86 -3.263 -10.657 -4.784 1.00 0.00 N ATOM 1356 CZ ARG A 86 -2.305 -11.570 -4.613 1.00 0.00 C ATOM 1357 NH1 ARG A 86 -1.077 -11.207 -4.253 1.00 0.00 N ATOM 1358 NH2 ARG A 86 -2.573 -12.859 -4.805 1.00 0.00 N ATOM 0 H ARG A 86 -3.772 -5.823 -1.434 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.210 -7.347 -3.363 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.052 -6.506 -3.855 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.876 -6.602 -5.151 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.760 -8.878 -3.325 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.108 -8.708 -5.034 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.632 -8.798 -5.516 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.331 -9.054 -3.808 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.192 -10.979 -5.055 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.859 -10.222 -4.105 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.353 -11.914 -4.125 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.511 -13.149 -5.083 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.841 -13.557 -4.674 1.00 0.00 H new ATOM 1372 N VAL A 87 -1.245 -5.006 -3.624 1.00 0.00 N ATOM 1373 CA VAL A 87 -0.681 -3.682 -3.845 1.00 0.00 C ATOM 1374 C VAL A 87 0.369 -3.723 -4.946 1.00 0.00 C ATOM 1375 O VAL A 87 1.318 -4.505 -4.894 1.00 0.00 O ATOM 1376 CB VAL A 87 -0.125 -3.102 -2.537 1.00 0.00 C ATOM 1377 CG1 VAL A 87 0.661 -4.099 -1.699 1.00 0.00 C ATOM 1378 CG2 VAL A 87 0.787 -1.909 -2.804 1.00 0.00 C ATOM 0 H VAL A 87 -0.561 -5.762 -3.656 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.475 -3.015 -4.180 1.00 0.00 H new ATOM 0 HB VAL A 87 -1.011 -2.806 -1.976 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.019 -3.610 -0.793 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.017 -4.936 -1.430 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.512 -4.466 -2.273 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.165 -1.521 -1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.624 -2.223 -3.427 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.225 -1.129 -3.318 1.00 0.00 H new ATOM 1388 N GLN A 88 0.165 -2.857 -5.944 1.00 0.00 N ATOM 1389 CA GLN A 88 1.024 -2.695 -7.107 1.00 0.00 C ATOM 1390 C GLN A 88 0.856 -1.274 -7.634 1.00 0.00 C ATOM 1391 O GLN A 88 -0.099 -0.578 -7.295 1.00 0.00 O ATOM 1392 CB GLN A 88 0.641 -3.688 -8.210 1.00 0.00 C ATOM 1393 CG GLN A 88 0.909 -5.137 -7.800 1.00 0.00 C ATOM 1394 CD GLN A 88 0.670 -6.104 -8.953 1.00 0.00 C ATOM 1395 OE1 GLN A 88 -0.025 -5.789 -9.918 1.00 0.00 O ATOM 1396 NE2 GLN A 88 1.253 -7.300 -8.871 1.00 0.00 N ATOM 0 H GLN A 88 -0.637 -2.227 -5.958 1.00 0.00 H new ATOM 0 HA GLN A 88 2.058 -2.883 -6.818 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.415 -3.570 -8.452 1.00 0.00 H new ATOM 0 HB3 GLN A 88 1.203 -3.458 -9.115 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.938 -5.232 -7.453 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.264 -5.403 -6.963 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.824 -7.534 -8.059 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.128 -7.981 -9.620 1.00 0.00 H new ATOM 1405 N MET A 89 1.799 -0.852 -8.470 1.00 0.00 N ATOM 1406 CA MET A 89 1.837 0.488 -9.027 1.00 0.00 C ATOM 1407 C MET A 89 0.585 0.754 -9.854 1.00 0.00 C ATOM 1408 O MET A 89 0.102 -0.127 -10.565 1.00 0.00 O ATOM 1409 CB MET A 89 3.102 0.595 -9.874 1.00 0.00 C ATOM 1410 CG MET A 89 4.310 0.436 -8.945 1.00 0.00 C ATOM 1411 SD MET A 89 4.799 1.972 -8.129 1.00 0.00 S ATOM 1412 CE MET A 89 5.955 1.285 -6.918 1.00 0.00 C ATOM 0 H MET A 89 2.569 -1.444 -8.782 1.00 0.00 H new ATOM 0 HA MET A 89 1.858 1.239 -8.237 1.00 0.00 H new ATOM 0 HB2 MET A 89 3.110 -0.175 -10.645 1.00 0.00 H new ATOM 0 HB3 MET A 89 3.138 1.557 -10.385 1.00 0.00 H new ATOM 0 HG2 MET A 89 4.079 -0.312 -8.186 1.00 0.00 H new ATOM 0 HG3 MET A 89 5.154 0.055 -9.521 1.00 0.00 H new ATOM 0 HE1 MET A 89 6.608 2.076 -6.549 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.397 0.857 -6.085 1.00 0.00 H new ATOM 0 HE3 MET A 89 6.556 0.508 -7.389 1.00 0.00 H new ATOM 1422 N ALA A 90 0.056 1.977 -9.757 1.00 0.00 N ATOM 1423 CA ALA A 90 -1.136 2.375 -10.485 1.00 0.00 C ATOM 1424 C ALA A 90 -0.849 2.481 -11.986 1.00 0.00 C ATOM 1425 O ALA A 90 0.293 2.663 -12.402 1.00 0.00 O ATOM 1426 CB ALA A 90 -1.636 3.716 -9.941 1.00 0.00 C ATOM 0 H ALA A 90 0.447 2.714 -9.170 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.906 1.617 -10.346 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.531 4.018 -10.485 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.872 3.614 -8.882 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.861 4.472 -10.068 1.00 0.00 H new ATOM 1432 N ARG A 91 -1.908 2.362 -12.792 1.00 0.00 N ATOM 1433 CA ARG A 91 -1.865 2.552 -14.240 1.00 0.00 C ATOM 1434 C ARG A 91 -3.189 3.174 -14.692 1.00 0.00 C ATOM 1435 O ARG A 91 -3.560 3.124 -15.863 1.00 0.00 O ATOM 1436 CB ARG A 91 -1.592 1.208 -14.926 1.00 0.00 C ATOM 1437 CG ARG A 91 -1.089 1.401 -16.358 1.00 0.00 C ATOM 1438 CD ARG A 91 -0.772 0.045 -16.981 1.00 0.00 C ATOM 1439 NE ARG A 91 -0.275 0.196 -18.355 1.00 0.00 N ATOM 1440 CZ ARG A 91 0.083 -0.826 -19.139 1.00 0.00 C ATOM 1441 NH1 ARG A 91 -0.006 -2.081 -18.705 1.00 0.00 N ATOM 1442 NH2 ARG A 91 0.530 -0.590 -20.369 1.00 0.00 N ATOM 0 H ARG A 91 -2.838 2.126 -12.446 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.058 3.229 -14.520 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -0.853 0.649 -14.352 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.505 0.612 -14.937 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.843 1.917 -16.952 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.198 2.029 -16.359 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -0.026 -0.471 -16.376 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.667 -0.576 -16.981 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.198 1.140 -18.735 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -0.351 -2.272 -17.764 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.270 -2.852 -19.313 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.599 0.368 -20.711 1.00 0.00 H new ATOM 0 HH22 ARG A 91 0.804 -1.367 -20.970 1.00 0.00 H new ATOM 1456 N TYR A 92 -3.896 3.761 -13.727 1.00 0.00 N ATOM 1457 CA TYR A 92 -5.210 4.348 -13.883 1.00 0.00 C ATOM 1458 C TYR A 92 -5.286 5.507 -12.889 1.00 0.00 C ATOM 1459 O TYR A 92 -4.864 5.355 -11.744 1.00 0.00 O ATOM 1460 CB TYR A 92 -6.228 3.233 -13.613 1.00 0.00 C ATOM 1461 CG TYR A 92 -7.681 3.633 -13.524 1.00 0.00 C ATOM 1462 CD1 TYR A 92 -8.193 4.737 -14.229 1.00 0.00 C ATOM 1463 CD2 TYR A 92 -8.527 2.869 -12.710 1.00 0.00 C ATOM 1464 CE1 TYR A 92 -9.547 5.083 -14.089 1.00 0.00 C ATOM 1465 CE2 TYR A 92 -9.872 3.220 -12.551 1.00 0.00 C ATOM 1466 CZ TYR A 92 -10.388 4.334 -13.243 1.00 0.00 C ATOM 1467 OH TYR A 92 -11.699 4.686 -13.097 1.00 0.00 O ATOM 0 H TYR A 92 -3.544 3.840 -12.773 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.417 4.746 -14.876 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.130 2.488 -14.402 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -5.954 2.744 -12.678 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.549 5.315 -14.874 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.137 2.000 -12.200 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.945 5.927 -14.632 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.511 2.640 -11.902 1.00 0.00 H new ATOM 0 HH TYR A 92 -12.138 4.065 -12.479 1.00 0.00 H new ATOM 1477 N GLY A 93 -5.810 6.658 -13.318 1.00 0.00 N ATOM 1478 CA GLY A 93 -5.718 7.889 -12.545 1.00 0.00 C ATOM 1479 C GLY A 93 -7.036 8.297 -11.889 1.00 0.00 C ATOM 1480 O GLY A 93 -8.071 7.659 -12.081 1.00 0.00 O ATOM 0 H GLY A 93 -6.305 6.758 -14.204 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.959 7.767 -11.772 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.382 8.694 -13.198 1.00 0.00 H new ATOM 1484 N ARG A 94 -6.978 9.382 -11.107 1.00 0.00 N ATOM 1485 CA ARG A 94 -8.111 9.890 -10.341 1.00 0.00 C ATOM 1486 C ARG A 94 -9.229 10.329 -11.280 1.00 0.00 C ATOM 1487 O ARG A 94 -8.957 10.984 -12.290 1.00 0.00 O ATOM 1488 CB ARG A 94 -7.635 11.055 -9.465 1.00 0.00 C ATOM 1489 CG ARG A 94 -8.733 11.513 -8.501 1.00 0.00 C ATOM 1490 CD ARG A 94 -8.222 12.668 -7.637 1.00 0.00 C ATOM 1491 NE ARG A 94 -9.254 13.122 -6.701 1.00 0.00 N ATOM 1492 CZ ARG A 94 -9.064 14.062 -5.768 1.00 0.00 C ATOM 1493 NH1 ARG A 94 -7.880 14.653 -5.622 1.00 0.00 N ATOM 1494 NH2 ARG A 94 -10.064 14.417 -4.969 1.00 0.00 N ATOM 0 H ARG A 94 -6.129 9.936 -10.990 1.00 0.00 H new ATOM 0 HA ARG A 94 -8.509 9.103 -9.700 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -6.755 10.751 -8.899 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -7.333 11.889 -10.098 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -9.612 11.829 -9.062 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -9.041 10.682 -7.867 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.339 12.349 -7.083 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -7.916 13.496 -8.276 1.00 0.00 H new ATOM 0 HE ARG A 94 -10.177 12.693 -6.765 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -7.101 14.391 -6.226 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -7.752 15.368 -4.906 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -10.977 13.973 -5.067 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -9.919 15.134 -4.258 1.00 0.00 H new ATOM 1508 N PRO A 95 -10.486 9.976 -10.970 1.00 0.00 N ATOM 1509 CA PRO A 95 -11.629 10.347 -11.783 1.00 0.00 C ATOM 1510 C PRO A 95 -11.820 11.866 -11.747 1.00 0.00 C ATOM 1511 O PRO A 95 -11.768 12.467 -10.674 1.00 0.00 O ATOM 1512 CB PRO A 95 -12.815 9.597 -11.183 1.00 0.00 C ATOM 1513 CG PRO A 95 -12.400 9.293 -9.744 1.00 0.00 C ATOM 1514 CD PRO A 95 -10.883 9.193 -9.818 1.00 0.00 C ATOM 0 HA PRO A 95 -11.506 10.084 -12.834 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.721 10.202 -11.214 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.024 8.681 -11.736 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -12.716 10.082 -9.061 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -12.845 8.364 -9.387 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.422 9.577 -8.908 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.565 8.156 -9.923 1.00 0.00 H new ATOM 1522 N PRO A 96 -12.043 12.498 -12.912 1.00 0.00 N ATOM 1523 CA PRO A 96 -12.238 13.938 -13.017 1.00 0.00 C ATOM 1524 C PRO A 96 -13.632 14.341 -12.542 1.00 0.00 C ATOM 1525 O PRO A 96 -13.868 15.495 -12.190 1.00 0.00 O ATOM 1526 CB PRO A 96 -12.086 14.240 -14.505 1.00 0.00 C ATOM 1527 CG PRO A 96 -12.572 12.957 -15.174 1.00 0.00 C ATOM 1528 CD PRO A 96 -12.106 11.867 -14.213 1.00 0.00 C ATOM 0 HA PRO A 96 -11.528 14.488 -12.399 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -12.684 15.101 -14.804 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -11.052 14.464 -14.767 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -13.655 12.951 -15.295 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -12.139 12.831 -16.167 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -12.799 11.026 -14.208 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -11.132 11.475 -14.507 1.00 0.00 H new ATOM 1536 N ASP A 97 -14.554 13.379 -12.536 1.00 0.00 N ATOM 1537 CA ASP A 97 -15.912 13.540 -12.043 1.00 0.00 C ATOM 1538 C ASP A 97 -16.386 12.186 -11.526 1.00 0.00 C ATOM 1539 O ASP A 97 -15.860 11.150 -11.927 1.00 0.00 O ATOM 1540 CB ASP A 97 -16.822 14.018 -13.177 1.00 0.00 C ATOM 1541 CG ASP A 97 -18.257 14.218 -12.694 1.00 0.00 C ATOM 1542 OD1 ASP A 97 -18.532 15.311 -12.142 1.00 0.00 O ATOM 1543 OD2 ASP A 97 -19.061 13.276 -12.879 1.00 0.00 O ATOM 0 H ASP A 97 -14.366 12.439 -12.886 1.00 0.00 H new ATOM 0 HA ASP A 97 -15.943 14.280 -11.244 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -16.439 14.955 -13.582 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -16.808 13.290 -13.988 1.00 0.00 H new ATOM 1548 N SER A 98 -17.377 12.180 -10.634 1.00 0.00 N ATOM 1549 CA SER A 98 -17.824 10.946 -10.008 1.00 0.00 C ATOM 1550 C SER A 98 -18.456 9.963 -10.990 1.00 0.00 C ATOM 1551 O SER A 98 -18.620 8.801 -10.640 1.00 0.00 O ATOM 1552 CB SER A 98 -18.792 11.254 -8.868 1.00 0.00 C ATOM 1553 OG SER A 98 -19.689 12.266 -9.282 1.00 0.00 O ATOM 0 H SER A 98 -17.880 13.014 -10.333 1.00 0.00 H new ATOM 0 HA SER A 98 -16.933 10.457 -9.614 1.00 0.00 H new ATOM 0 HB2 SER A 98 -19.342 10.355 -8.589 1.00 0.00 H new ATOM 0 HB3 SER A 98 -18.242 11.578 -7.985 1.00 0.00 H new ATOM 0 HG SER A 98 -20.042 12.732 -8.495 1.00 0.00 H new