USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 625 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 46 GLN : amide:sc= -6.86! C(o=-11!,f=-14!) USER MOD Set 1.2: A 71 HIS : no HD1:sc= -4.05! C(o=-11!,f=-13!) USER MOD Single : A 10 SER OG : rot -130:sc= 0 USER MOD Single : A 11 TYR OH : rot 160:sc= -0.623! USER MOD Single : A 15 THR OG1 : rot -132:sc= 0.815 USER MOD Single : A 17 SER OG : rot 180:sc= -0.157 USER MOD Single : A 26 THR OG1 : rot 60:sc= 1.27 USER MOD Single : A 28 TYR OH : rot -148:sc= -0.14 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -1.25 K(o=-1.3,f=-1.9) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.0232 USER MOD Single : A 50 SER OG : rot 180:sc= -0.0219 USER MOD Single : A 52 HIS : no HE2:sc= 0.511 K(o=0.51,f=-1.7!) USER MOD Single : A 54 SER OG : rot 120:sc= 0.0461 USER MOD Single : A 55 HIS : no HE2:sc= -2.1 K(o=-2.1,f=-1.2) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0589 USER MOD Single : A 59 ASN : amide:sc= -0.115 X(o=-0.12,f=-0.39) USER MOD Single : A 60 ASN : amide:sc= -1.42 K(o=-1.4,f=-0.32) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -18:sc= 1.13 USER MOD Single : A 78 ASN : amide:sc= 0.296 K(o=0.3,f=-1.8) USER MOD Single : A 79 ASN : amide:sc= -0.621 K(o=-0.62,f=-1.2!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 29:sc= 0.496 USER MOD ----------------------------------------------------------------- ATOM 71 N LEU A 6 4.657 -5.633 1.767 1.00 0.00 N ATOM 72 CA LEU A 6 5.101 -6.358 0.591 1.00 0.00 C ATOM 73 C LEU A 6 6.619 -6.434 0.564 1.00 0.00 C ATOM 74 O LEU A 6 7.317 -5.493 0.941 1.00 0.00 O ATOM 75 CB LEU A 6 4.585 -5.684 -0.697 1.00 0.00 C ATOM 76 CG LEU A 6 3.110 -5.939 -1.043 1.00 0.00 C ATOM 77 CD1 LEU A 6 2.832 -7.434 -1.047 1.00 0.00 C ATOM 78 CD2 LEU A 6 2.197 -5.228 -0.057 1.00 0.00 C ATOM 0 HA LEU A 6 4.693 -7.368 0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.736 -4.608 -0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.198 -6.023 -1.532 1.00 0.00 H new ATOM 0 HG LEU A 6 2.908 -5.540 -2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.785 -7.609 -1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.465 -7.920 -1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.047 -7.847 -0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.157 -5.421 -0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.392 -5.597 0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.387 -4.155 -0.094 1.00 0.00 H new ATOM 90 N PRO A 7 7.129 -7.607 0.213 1.00 0.00 N ATOM 91 CA PRO A 7 8.551 -7.828 -0.031 1.00 0.00 C ATOM 92 C PRO A 7 9.156 -6.765 -0.945 1.00 0.00 C ATOM 93 O PRO A 7 8.476 -6.218 -1.814 1.00 0.00 O ATOM 94 CB PRO A 7 8.572 -9.183 -0.729 1.00 0.00 C ATOM 95 CG PRO A 7 7.360 -9.889 -0.235 1.00 0.00 C ATOM 96 CD PRO A 7 6.340 -8.835 0.085 1.00 0.00 C ATOM 0 HA PRO A 7 9.134 -7.785 0.889 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.548 -9.069 -1.813 1.00 0.00 H new ATOM 0 HB3 PRO A 7 9.478 -9.738 -0.487 1.00 0.00 H new ATOM 0 HG2 PRO A 7 6.980 -10.577 -0.990 1.00 0.00 H new ATOM 0 HG3 PRO A 7 7.592 -10.482 0.649 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.593 -8.749 -0.704 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.805 -9.064 1.007 1.00 0.00 H new ATOM 104 N ILE A 8 10.448 -6.497 -0.756 1.00 0.00 N ATOM 105 CA ILE A 8 11.146 -5.465 -1.526 1.00 0.00 C ATOM 106 C ILE A 8 11.128 -5.746 -3.024 1.00 0.00 C ATOM 107 O ILE A 8 11.345 -4.846 -3.831 1.00 0.00 O ATOM 108 CB ILE A 8 12.612 -5.251 -1.068 1.00 0.00 C ATOM 109 CG1 ILE A 8 13.204 -6.504 -0.414 1.00 0.00 C ATOM 110 CG2 ILE A 8 12.693 -4.069 -0.120 1.00 0.00 C ATOM 111 CD1 ILE A 8 13.304 -7.700 -1.336 1.00 0.00 C ATOM 0 H ILE A 8 11.034 -6.981 -0.075 1.00 0.00 H new ATOM 0 HA ILE A 8 10.589 -4.549 -1.329 1.00 0.00 H new ATOM 0 HB ILE A 8 13.207 -5.043 -1.957 1.00 0.00 H new ATOM 0 HG12 ILE A 8 14.199 -6.267 -0.036 1.00 0.00 H new ATOM 0 HG13 ILE A 8 12.592 -6.774 0.447 1.00 0.00 H new ATOM 0 HG21 ILE A 8 13.726 -3.926 0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 8 12.342 -3.171 -0.628 1.00 0.00 H new ATOM 0 HG23 ILE A 8 12.069 -4.260 0.753 1.00 0.00 H new ATOM 0 HD11 ILE A 8 13.733 -8.543 -0.794 1.00 0.00 H new ATOM 0 HD12 ILE A 8 12.310 -7.967 -1.694 1.00 0.00 H new ATOM 0 HD13 ILE A 8 13.941 -7.453 -2.185 1.00 0.00 H new ATOM 123 N ALA A 9 10.858 -6.990 -3.392 1.00 0.00 N ATOM 124 CA ALA A 9 10.759 -7.359 -4.794 1.00 0.00 C ATOM 125 C ALA A 9 9.461 -6.832 -5.398 1.00 0.00 C ATOM 126 O ALA A 9 9.356 -6.649 -6.608 1.00 0.00 O ATOM 127 CB ALA A 9 10.838 -8.864 -4.955 1.00 0.00 C ATOM 0 H ALA A 9 10.704 -7.759 -2.740 1.00 0.00 H new ATOM 0 HA ALA A 9 11.597 -6.907 -5.325 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.762 -9.121 -6.011 1.00 0.00 H new ATOM 0 HB2 ALA A 9 11.789 -9.223 -4.562 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.020 -9.332 -4.408 1.00 0.00 H new ATOM 133 N SER A 10 8.478 -6.573 -4.539 1.00 0.00 N ATOM 134 CA SER A 10 7.186 -6.065 -4.978 1.00 0.00 C ATOM 135 C SER A 10 7.311 -4.604 -5.399 1.00 0.00 C ATOM 136 O SER A 10 6.490 -4.091 -6.162 1.00 0.00 O ATOM 137 CB SER A 10 6.143 -6.215 -3.862 1.00 0.00 C ATOM 138 OG SER A 10 4.846 -5.853 -4.308 1.00 0.00 O ATOM 0 H SER A 10 8.555 -6.708 -3.531 1.00 0.00 H new ATOM 0 HA SER A 10 6.855 -6.648 -5.837 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.132 -7.246 -3.509 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.424 -5.591 -3.014 1.00 0.00 H new ATOM 0 HG SER A 10 4.445 -5.225 -3.672 1.00 0.00 H new ATOM 144 N TYR A 11 8.345 -3.936 -4.904 1.00 0.00 N ATOM 145 CA TYR A 11 8.588 -2.550 -5.269 1.00 0.00 C ATOM 146 C TYR A 11 9.849 -2.432 -6.112 1.00 0.00 C ATOM 147 O TYR A 11 10.362 -1.332 -6.309 1.00 0.00 O ATOM 148 CB TYR A 11 8.756 -1.671 -4.042 1.00 0.00 C ATOM 149 CG TYR A 11 7.949 -2.089 -2.842 1.00 0.00 C ATOM 150 CD1 TYR A 11 6.614 -1.739 -2.708 1.00 0.00 C ATOM 151 CD2 TYR A 11 8.542 -2.819 -1.830 1.00 0.00 C ATOM 152 CE1 TYR A 11 5.893 -2.101 -1.592 1.00 0.00 C ATOM 153 CE2 TYR A 11 7.826 -3.192 -0.713 1.00 0.00 C ATOM 154 CZ TYR A 11 6.501 -2.826 -0.600 1.00 0.00 C ATOM 155 OH TYR A 11 5.784 -3.178 0.515 1.00 0.00 O ATOM 0 H TYR A 11 9.024 -4.330 -4.253 1.00 0.00 H new ATOM 0 HA TYR A 11 7.720 -2.216 -5.837 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.810 -1.658 -3.765 1.00 0.00 H new ATOM 0 HB3 TYR A 11 8.483 -0.649 -4.306 1.00 0.00 H new ATOM 0 HD1 TYR A 11 6.132 -1.173 -3.492 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.581 -3.101 -1.915 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.856 -1.816 -1.499 1.00 0.00 H new ATOM 0 HE2 TYR A 11 8.299 -3.767 0.069 1.00 0.00 H new ATOM 0 HH TYR A 11 6.218 -3.937 0.957 1.00 0.00 H new ATOM 165 N ALA A 12 10.361 -3.567 -6.583 1.00 0.00 N ATOM 166 CA ALA A 12 11.595 -3.583 -7.359 1.00 0.00 C ATOM 167 C ALA A 12 11.488 -2.686 -8.590 1.00 0.00 C ATOM 168 O ALA A 12 10.723 -2.968 -9.515 1.00 0.00 O ATOM 169 CB ALA A 12 11.942 -5.003 -7.772 1.00 0.00 C ATOM 0 H ALA A 12 9.940 -4.485 -6.440 1.00 0.00 H new ATOM 0 HA ALA A 12 12.392 -3.193 -6.726 1.00 0.00 H new ATOM 0 HB1 ALA A 12 12.866 -4.998 -8.351 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.074 -5.619 -6.882 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.135 -5.413 -8.380 1.00 0.00 H new ATOM 175 N GLY A 13 12.254 -1.605 -8.583 1.00 0.00 N ATOM 176 CA GLY A 13 12.240 -0.663 -9.683 1.00 0.00 C ATOM 177 C GLY A 13 11.016 0.226 -9.665 1.00 0.00 C ATOM 178 O GLY A 13 10.550 0.673 -10.714 1.00 0.00 O ATOM 0 H GLY A 13 12.892 -1.362 -7.825 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.136 -0.044 -9.639 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.276 -1.209 -10.626 1.00 0.00 H new ATOM 182 N LEU A 14 10.505 0.497 -8.473 1.00 0.00 N ATOM 183 CA LEU A 14 9.281 1.266 -8.320 1.00 0.00 C ATOM 184 C LEU A 14 9.443 2.358 -7.272 1.00 0.00 C ATOM 185 O LEU A 14 10.318 2.292 -6.410 1.00 0.00 O ATOM 186 CB LEU A 14 8.128 0.343 -7.917 1.00 0.00 C ATOM 187 CG LEU A 14 7.846 -0.808 -8.884 1.00 0.00 C ATOM 188 CD1 LEU A 14 6.728 -1.686 -8.356 1.00 0.00 C ATOM 189 CD2 LEU A 14 7.502 -0.274 -10.263 1.00 0.00 C ATOM 0 H LEU A 14 10.923 0.193 -7.593 1.00 0.00 H new ATOM 0 HA LEU A 14 9.060 1.735 -9.279 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.345 -0.075 -6.934 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.223 0.942 -7.816 1.00 0.00 H new ATOM 0 HG LEU A 14 8.747 -1.415 -8.967 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.542 -2.499 -9.058 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.016 -2.099 -7.389 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.822 -1.091 -8.241 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.305 -1.107 -10.937 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.616 0.358 -10.198 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.338 0.312 -10.645 1.00 0.00 H new ATOM 201 N THR A 15 8.594 3.364 -7.363 1.00 0.00 N ATOM 202 CA THR A 15 8.586 4.449 -6.402 1.00 0.00 C ATOM 203 C THR A 15 7.424 4.262 -5.430 1.00 0.00 C ATOM 204 O THR A 15 6.258 4.354 -5.816 1.00 0.00 O ATOM 205 CB THR A 15 8.444 5.800 -7.119 1.00 0.00 C ATOM 206 OG1 THR A 15 9.241 5.802 -8.308 1.00 0.00 O ATOM 207 CG2 THR A 15 8.884 6.945 -6.228 1.00 0.00 C ATOM 0 H THR A 15 7.895 3.452 -8.100 1.00 0.00 H new ATOM 0 HA THR A 15 9.528 4.440 -5.854 1.00 0.00 H new ATOM 0 HB THR A 15 7.392 5.938 -7.370 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.770 6.626 -8.346 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.771 7.887 -6.764 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.268 6.964 -5.329 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.929 6.809 -5.950 1.00 0.00 H new ATOM 215 N VAL A 16 7.742 3.996 -4.179 1.00 0.00 N ATOM 216 CA VAL A 16 6.731 3.677 -3.180 1.00 0.00 C ATOM 217 C VAL A 16 6.340 4.902 -2.382 1.00 0.00 C ATOM 218 O VAL A 16 7.070 5.886 -2.329 1.00 0.00 O ATOM 219 CB VAL A 16 7.208 2.570 -2.228 1.00 0.00 C ATOM 220 CG1 VAL A 16 7.546 1.329 -3.019 1.00 0.00 C ATOM 221 CG2 VAL A 16 8.399 3.020 -1.409 1.00 0.00 C ATOM 0 H VAL A 16 8.698 3.994 -3.824 1.00 0.00 H new ATOM 0 HA VAL A 16 5.856 3.316 -3.721 1.00 0.00 H new ATOM 0 HB VAL A 16 6.400 2.344 -1.532 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.884 0.546 -2.340 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.661 0.987 -3.555 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.337 1.557 -3.733 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.711 2.213 -0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.221 3.280 -2.075 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.124 3.891 -0.815 1.00 0.00 H new ATOM 231 N SER A 17 5.178 4.830 -1.768 1.00 0.00 N ATOM 232 CA SER A 17 4.639 5.947 -1.027 1.00 0.00 C ATOM 233 C SER A 17 5.427 6.142 0.261 1.00 0.00 C ATOM 234 O SER A 17 5.934 5.168 0.805 1.00 0.00 O ATOM 235 CB SER A 17 3.162 5.695 -0.720 1.00 0.00 C ATOM 236 OG SER A 17 2.451 6.901 -0.577 1.00 0.00 O ATOM 0 H SER A 17 4.585 4.000 -1.769 1.00 0.00 H new ATOM 0 HA SER A 17 4.723 6.854 -1.625 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.719 5.103 -1.521 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.074 5.109 0.195 1.00 0.00 H new ATOM 0 HG SER A 17 1.511 6.705 -0.383 1.00 0.00 H new ATOM 242 N ALA A 18 5.540 7.376 0.738 1.00 0.00 N ATOM 243 CA ALA A 18 6.302 7.660 1.958 1.00 0.00 C ATOM 244 C ALA A 18 5.931 6.706 3.114 1.00 0.00 C ATOM 245 O ALA A 18 6.826 6.152 3.758 1.00 0.00 O ATOM 246 CB ALA A 18 6.125 9.115 2.377 1.00 0.00 C ATOM 0 H ALA A 18 5.117 8.196 0.304 1.00 0.00 H new ATOM 0 HA ALA A 18 7.354 7.488 1.728 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.699 9.305 3.284 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.480 9.769 1.580 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.070 9.313 2.567 1.00 0.00 H new ATOM 252 N PRO A 19 4.616 6.479 3.378 1.00 0.00 N ATOM 253 CA PRO A 19 4.165 5.551 4.425 1.00 0.00 C ATOM 254 C PRO A 19 4.796 4.164 4.299 1.00 0.00 C ATOM 255 O PRO A 19 5.222 3.574 5.293 1.00 0.00 O ATOM 256 CB PRO A 19 2.656 5.450 4.202 1.00 0.00 C ATOM 257 CG PRO A 19 2.280 6.704 3.497 1.00 0.00 C ATOM 258 CD PRO A 19 3.477 7.126 2.702 1.00 0.00 C ATOM 0 HA PRO A 19 4.447 5.911 5.415 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.404 4.573 3.606 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.124 5.356 5.149 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.421 6.539 2.846 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.996 7.478 4.210 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.397 6.805 1.664 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.585 8.211 2.693 1.00 0.00 H new ATOM 266 N VAL A 20 4.866 3.656 3.072 1.00 0.00 N ATOM 267 CA VAL A 20 5.401 2.325 2.822 1.00 0.00 C ATOM 268 C VAL A 20 6.922 2.378 2.727 1.00 0.00 C ATOM 269 O VAL A 20 7.607 1.450 3.137 1.00 0.00 O ATOM 270 CB VAL A 20 4.768 1.673 1.550 1.00 0.00 C ATOM 271 CG1 VAL A 20 4.104 2.713 0.667 1.00 0.00 C ATOM 272 CG2 VAL A 20 5.786 0.873 0.735 1.00 0.00 C ATOM 0 H VAL A 20 4.557 4.149 2.234 1.00 0.00 H new ATOM 0 HA VAL A 20 5.132 1.689 3.665 1.00 0.00 H new ATOM 0 HB VAL A 20 4.010 0.978 1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.674 2.226 -0.208 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.315 3.215 1.227 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.845 3.446 0.347 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.295 0.441 -0.137 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.590 1.533 0.409 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.199 0.074 1.351 1.00 0.00 H new ATOM 282 N PHE A 21 7.434 3.489 2.220 1.00 0.00 N ATOM 283 CA PHE A 21 8.867 3.711 2.108 1.00 0.00 C ATOM 284 C PHE A 21 9.525 3.692 3.482 1.00 0.00 C ATOM 285 O PHE A 21 10.462 2.930 3.726 1.00 0.00 O ATOM 286 CB PHE A 21 9.130 5.055 1.435 1.00 0.00 C ATOM 287 CG PHE A 21 10.565 5.255 1.067 1.00 0.00 C ATOM 288 CD1 PHE A 21 11.436 5.880 1.938 1.00 0.00 C ATOM 289 CD2 PHE A 21 11.041 4.806 -0.147 1.00 0.00 C ATOM 290 CE1 PHE A 21 12.763 6.049 1.604 1.00 0.00 C ATOM 291 CE2 PHE A 21 12.363 4.973 -0.491 1.00 0.00 C ATOM 292 CZ PHE A 21 13.228 5.593 0.385 1.00 0.00 C ATOM 0 H PHE A 21 6.867 4.263 1.874 1.00 0.00 H new ATOM 0 HA PHE A 21 9.294 2.909 1.505 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.517 5.131 0.537 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.817 5.857 2.104 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.074 6.240 2.890 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.368 4.317 -0.836 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.437 6.536 2.293 1.00 0.00 H new ATOM 0 HE2 PHE A 21 12.722 4.619 -1.446 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.267 5.722 0.119 1.00 0.00 H new ATOM 302 N ALA A 22 9.021 4.532 4.377 1.00 0.00 N ATOM 303 CA ALA A 22 9.562 4.628 5.724 1.00 0.00 C ATOM 304 C ALA A 22 9.374 3.315 6.470 1.00 0.00 C ATOM 305 O ALA A 22 10.211 2.925 7.284 1.00 0.00 O ATOM 306 CB ALA A 22 8.907 5.775 6.476 1.00 0.00 C ATOM 0 H ALA A 22 8.237 5.157 4.192 1.00 0.00 H new ATOM 0 HA ALA A 22 10.631 4.829 5.656 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.322 5.834 7.482 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.096 6.710 5.950 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.832 5.604 6.536 1.00 0.00 H new ATOM 312 N ALA A 23 8.281 2.624 6.167 1.00 0.00 N ATOM 313 CA ALA A 23 7.996 1.336 6.764 1.00 0.00 C ATOM 314 C ALA A 23 8.957 0.293 6.231 1.00 0.00 C ATOM 315 O ALA A 23 9.434 -0.565 6.965 1.00 0.00 O ATOM 316 CB ALA A 23 6.573 0.941 6.466 1.00 0.00 C ATOM 0 H ALA A 23 7.575 2.943 5.504 1.00 0.00 H new ATOM 0 HA ALA A 23 8.123 1.405 7.844 1.00 0.00 H new ATOM 0 HB1 ALA A 23 6.363 -0.029 6.917 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.894 1.688 6.878 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.431 0.878 5.387 1.00 0.00 H new ATOM 322 N LEU A 24 9.234 0.390 4.942 1.00 0.00 N ATOM 323 CA LEU A 24 10.185 -0.472 4.268 1.00 0.00 C ATOM 324 C LEU A 24 11.573 -0.315 4.859 1.00 0.00 C ATOM 325 O LEU A 24 12.210 -1.292 5.197 1.00 0.00 O ATOM 326 CB LEU A 24 10.214 -0.121 2.795 1.00 0.00 C ATOM 327 CG LEU A 24 9.582 -1.128 1.836 1.00 0.00 C ATOM 328 CD1 LEU A 24 8.336 -1.772 2.425 1.00 0.00 C ATOM 329 CD2 LEU A 24 9.245 -0.413 0.547 1.00 0.00 C ATOM 0 H LEU A 24 8.799 1.078 4.328 1.00 0.00 H new ATOM 0 HA LEU A 24 9.875 -1.509 4.400 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.710 0.836 2.664 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.253 0.023 2.500 1.00 0.00 H new ATOM 0 HG LEU A 24 10.295 -1.932 1.652 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.920 -2.481 1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.597 -2.296 3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.597 -1.001 2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.792 -1.116 -0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.544 0.396 0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.155 -0.003 0.110 1.00 0.00 H new ATOM 341 N VAL A 25 12.036 0.917 4.988 1.00 0.00 N ATOM 342 CA VAL A 25 13.326 1.181 5.629 1.00 0.00 C ATOM 343 C VAL A 25 13.323 0.644 7.062 1.00 0.00 C ATOM 344 O VAL A 25 14.357 0.277 7.619 1.00 0.00 O ATOM 345 CB VAL A 25 13.666 2.687 5.640 1.00 0.00 C ATOM 346 CG1 VAL A 25 14.973 2.938 6.374 1.00 0.00 C ATOM 347 CG2 VAL A 25 13.748 3.223 4.221 1.00 0.00 C ATOM 0 H VAL A 25 11.546 1.750 4.662 1.00 0.00 H new ATOM 0 HA VAL A 25 14.091 0.668 5.045 1.00 0.00 H new ATOM 0 HB VAL A 25 12.869 3.212 6.166 1.00 0.00 H new ATOM 0 HG11 VAL A 25 15.193 4.005 6.370 1.00 0.00 H new ATOM 0 HG12 VAL A 25 14.885 2.590 7.403 1.00 0.00 H new ATOM 0 HG13 VAL A 25 15.779 2.399 5.876 1.00 0.00 H new ATOM 0 HG21 VAL A 25 13.988 4.286 4.247 1.00 0.00 H new ATOM 0 HG22 VAL A 25 14.525 2.688 3.674 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.790 3.080 3.722 1.00 0.00 H new ATOM 357 N THR A 26 12.137 0.569 7.628 1.00 0.00 N ATOM 358 CA THR A 26 11.958 0.053 8.975 1.00 0.00 C ATOM 359 C THR A 26 12.215 -1.460 9.033 1.00 0.00 C ATOM 360 O THR A 26 12.764 -1.968 10.009 1.00 0.00 O ATOM 361 CB THR A 26 10.539 0.378 9.499 1.00 0.00 C ATOM 362 OG1 THR A 26 10.387 1.799 9.636 1.00 0.00 O ATOM 363 CG2 THR A 26 10.268 -0.297 10.837 1.00 0.00 C ATOM 0 H THR A 26 11.272 0.861 7.173 1.00 0.00 H new ATOM 0 HA THR A 26 12.689 0.543 9.617 1.00 0.00 H new ATOM 0 HB THR A 26 9.818 -0.005 8.776 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.516 2.227 8.764 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.262 -0.046 11.174 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.354 -1.378 10.723 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.994 0.049 11.573 1.00 0.00 H new ATOM 371 N VAL A 27 11.840 -2.170 7.976 1.00 0.00 N ATOM 372 CA VAL A 27 11.981 -3.620 7.941 1.00 0.00 C ATOM 373 C VAL A 27 13.139 -4.054 7.029 1.00 0.00 C ATOM 374 O VAL A 27 14.027 -4.803 7.444 1.00 0.00 O ATOM 375 CB VAL A 27 10.651 -4.296 7.500 1.00 0.00 C ATOM 376 CG1 VAL A 27 9.872 -3.418 6.536 1.00 0.00 C ATOM 377 CG2 VAL A 27 10.905 -5.640 6.854 1.00 0.00 C ATOM 0 H VAL A 27 11.436 -1.765 7.132 1.00 0.00 H new ATOM 0 HA VAL A 27 12.216 -3.950 8.953 1.00 0.00 H new ATOM 0 HB VAL A 27 10.059 -4.440 8.404 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.949 -3.922 6.249 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.633 -2.470 7.019 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.474 -3.230 5.647 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.956 -6.086 6.557 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.535 -5.508 5.974 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.408 -6.296 7.565 1.00 0.00 H new ATOM 387 N TYR A 28 13.128 -3.561 5.803 1.00 0.00 N ATOM 388 CA TYR A 28 14.112 -3.921 4.792 1.00 0.00 C ATOM 389 C TYR A 28 15.332 -3.017 4.871 1.00 0.00 C ATOM 390 O TYR A 28 16.435 -3.393 4.469 1.00 0.00 O ATOM 391 CB TYR A 28 13.473 -3.806 3.410 1.00 0.00 C ATOM 392 CG TYR A 28 12.215 -4.620 3.284 1.00 0.00 C ATOM 393 CD1 TYR A 28 12.262 -6.003 3.188 1.00 0.00 C ATOM 394 CD2 TYR A 28 10.977 -4.004 3.275 1.00 0.00 C ATOM 395 CE1 TYR A 28 11.105 -6.746 3.087 1.00 0.00 C ATOM 396 CE2 TYR A 28 9.817 -4.738 3.173 1.00 0.00 C ATOM 397 CZ TYR A 28 9.886 -6.108 3.079 1.00 0.00 C ATOM 398 OH TYR A 28 8.730 -6.841 2.978 1.00 0.00 O ATOM 0 H TYR A 28 12.430 -2.893 5.476 1.00 0.00 H new ATOM 0 HA TYR A 28 14.438 -4.946 4.969 1.00 0.00 H new ATOM 0 HB2 TYR A 28 13.246 -2.760 3.205 1.00 0.00 H new ATOM 0 HB3 TYR A 28 14.189 -4.131 2.655 1.00 0.00 H new ATOM 0 HD1 TYR A 28 13.218 -6.505 3.192 1.00 0.00 H new ATOM 0 HD2 TYR A 28 10.919 -2.928 3.349 1.00 0.00 H new ATOM 0 HE1 TYR A 28 11.155 -7.822 3.015 1.00 0.00 H new ATOM 0 HE2 TYR A 28 8.858 -4.241 3.167 1.00 0.00 H new ATOM 0 HH TYR A 28 8.054 -6.321 2.495 1.00 0.00 H new ATOM 408 N GLY A 29 15.121 -1.817 5.384 1.00 0.00 N ATOM 409 CA GLY A 29 16.198 -0.864 5.506 1.00 0.00 C ATOM 410 C GLY A 29 16.392 -0.074 4.234 1.00 0.00 C ATOM 411 O GLY A 29 15.814 -0.404 3.196 1.00 0.00 O ATOM 0 H GLY A 29 14.217 -1.485 5.720 1.00 0.00 H new ATOM 0 HA2 GLY A 29 15.988 -0.182 6.330 1.00 0.00 H new ATOM 0 HA3 GLY A 29 17.121 -1.388 5.753 1.00 0.00 H new ATOM 415 N ALA A 30 17.194 0.975 4.310 1.00 0.00 N ATOM 416 CA ALA A 30 17.505 1.774 3.137 1.00 0.00 C ATOM 417 C ALA A 30 18.365 0.967 2.174 1.00 0.00 C ATOM 418 O ALA A 30 18.329 1.182 0.965 1.00 0.00 O ATOM 419 CB ALA A 30 18.204 3.062 3.542 1.00 0.00 C ATOM 0 H ALA A 30 17.641 1.293 5.170 1.00 0.00 H new ATOM 0 HA ALA A 30 16.577 2.041 2.632 1.00 0.00 H new ATOM 0 HB1 ALA A 30 18.430 3.649 2.652 1.00 0.00 H new ATOM 0 HB2 ALA A 30 17.553 3.638 4.200 1.00 0.00 H new ATOM 0 HB3 ALA A 30 19.131 2.824 4.065 1.00 0.00 H new ATOM 425 N TYR A 31 19.117 0.026 2.736 1.00 0.00 N ATOM 426 CA TYR A 31 19.949 -0.886 1.976 1.00 0.00 C ATOM 427 C TYR A 31 19.124 -1.641 0.947 1.00 0.00 C ATOM 428 O TYR A 31 19.349 -1.506 -0.253 1.00 0.00 O ATOM 429 CB TYR A 31 20.613 -1.862 2.946 1.00 0.00 C ATOM 430 CG TYR A 31 21.732 -2.666 2.347 1.00 0.00 C ATOM 431 CD1 TYR A 31 22.783 -2.035 1.709 1.00 0.00 C ATOM 432 CD2 TYR A 31 21.748 -4.049 2.439 1.00 0.00 C ATOM 433 CE1 TYR A 31 23.829 -2.760 1.172 1.00 0.00 C ATOM 434 CE2 TYR A 31 22.787 -4.785 1.903 1.00 0.00 C ATOM 435 CZ TYR A 31 23.826 -4.135 1.272 1.00 0.00 C ATOM 436 OH TYR A 31 24.869 -4.861 0.744 1.00 0.00 O ATOM 0 H TYR A 31 19.163 -0.122 3.744 1.00 0.00 H new ATOM 0 HA TYR A 31 20.710 -0.321 1.438 1.00 0.00 H new ATOM 0 HB2 TYR A 31 20.999 -1.303 3.798 1.00 0.00 H new ATOM 0 HB3 TYR A 31 19.856 -2.545 3.330 1.00 0.00 H new ATOM 0 HD1 TYR A 31 22.787 -0.958 1.629 1.00 0.00 H new ATOM 0 HD2 TYR A 31 20.936 -4.559 2.937 1.00 0.00 H new ATOM 0 HE1 TYR A 31 24.644 -2.253 0.677 1.00 0.00 H new ATOM 0 HE2 TYR A 31 22.785 -5.862 1.978 1.00 0.00 H new ATOM 0 HH TYR A 31 24.715 -5.816 0.900 1.00 0.00 H new ATOM 446 N ALA A 32 18.157 -2.415 1.421 1.00 0.00 N ATOM 447 CA ALA A 32 17.310 -3.198 0.538 1.00 0.00 C ATOM 448 C ALA A 32 16.597 -2.305 -0.465 1.00 0.00 C ATOM 449 O ALA A 32 16.571 -2.597 -1.656 1.00 0.00 O ATOM 450 CB ALA A 32 16.300 -3.988 1.343 1.00 0.00 C ATOM 0 H ALA A 32 17.941 -2.516 2.413 1.00 0.00 H new ATOM 0 HA ALA A 32 17.945 -3.892 -0.013 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.672 -4.570 0.668 1.00 0.00 H new ATOM 0 HB2 ALA A 32 16.823 -4.661 2.023 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.677 -3.303 1.918 1.00 0.00 H new ATOM 456 N LEU A 33 16.043 -1.202 0.015 1.00 0.00 N ATOM 457 CA LEU A 33 15.293 -0.305 -0.844 1.00 0.00 C ATOM 458 C LEU A 33 16.170 0.309 -1.933 1.00 0.00 C ATOM 459 O LEU A 33 15.730 0.490 -3.064 1.00 0.00 O ATOM 460 CB LEU A 33 14.617 0.786 -0.009 1.00 0.00 C ATOM 461 CG LEU A 33 13.152 0.530 0.303 1.00 0.00 C ATOM 462 CD1 LEU A 33 12.979 -0.799 1.017 1.00 0.00 C ATOM 463 CD2 LEU A 33 12.604 1.661 1.143 1.00 0.00 C ATOM 0 H LEU A 33 16.099 -0.909 0.990 1.00 0.00 H new ATOM 0 HA LEU A 33 14.524 -0.892 -1.346 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.161 0.896 0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 33 14.701 1.735 -0.539 1.00 0.00 H new ATOM 0 HG LEU A 33 12.596 0.483 -0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.923 -0.962 1.231 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.349 -1.604 0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.541 -0.786 1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 33 11.553 1.474 1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.165 1.727 2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 33 12.698 2.599 0.596 1.00 0.00 H new ATOM 475 N TYR A 34 17.418 0.592 -1.600 1.00 0.00 N ATOM 476 CA TYR A 34 18.356 1.146 -2.566 1.00 0.00 C ATOM 477 C TYR A 34 18.750 0.069 -3.567 1.00 0.00 C ATOM 478 O TYR A 34 18.992 0.338 -4.746 1.00 0.00 O ATOM 479 CB TYR A 34 19.590 1.686 -1.828 1.00 0.00 C ATOM 480 CG TYR A 34 20.829 1.809 -2.682 1.00 0.00 C ATOM 481 CD1 TYR A 34 21.792 0.808 -2.675 1.00 0.00 C ATOM 482 CD2 TYR A 34 21.038 2.919 -3.487 1.00 0.00 C ATOM 483 CE1 TYR A 34 22.929 0.909 -3.451 1.00 0.00 C ATOM 484 CE2 TYR A 34 22.174 3.028 -4.266 1.00 0.00 C ATOM 485 CZ TYR A 34 23.116 2.020 -4.244 1.00 0.00 C ATOM 486 OH TYR A 34 24.248 2.124 -5.019 1.00 0.00 O ATOM 0 H TYR A 34 17.807 0.448 -0.668 1.00 0.00 H new ATOM 0 HA TYR A 34 17.889 1.968 -3.109 1.00 0.00 H new ATOM 0 HB2 TYR A 34 19.350 2.666 -1.415 1.00 0.00 H new ATOM 0 HB3 TYR A 34 19.809 1.030 -0.985 1.00 0.00 H new ATOM 0 HD1 TYR A 34 21.649 -0.063 -2.053 1.00 0.00 H new ATOM 0 HD2 TYR A 34 20.302 3.709 -3.505 1.00 0.00 H new ATOM 0 HE1 TYR A 34 23.668 0.122 -3.437 1.00 0.00 H new ATOM 0 HE2 TYR A 34 22.324 3.898 -4.889 1.00 0.00 H new ATOM 0 HH TYR A 34 24.226 2.967 -5.519 1.00 0.00 H new ATOM 496 N ARG A 35 18.768 -1.156 -3.077 1.00 0.00 N ATOM 497 CA ARG A 35 19.195 -2.305 -3.849 1.00 0.00 C ATOM 498 C ARG A 35 18.162 -2.701 -4.892 1.00 0.00 C ATOM 499 O ARG A 35 18.506 -3.137 -5.995 1.00 0.00 O ATOM 500 CB ARG A 35 19.451 -3.455 -2.889 1.00 0.00 C ATOM 501 CG ARG A 35 20.816 -3.391 -2.250 1.00 0.00 C ATOM 502 CD ARG A 35 20.865 -4.167 -0.946 1.00 0.00 C ATOM 503 NE ARG A 35 20.092 -5.401 -0.989 1.00 0.00 N ATOM 504 CZ ARG A 35 20.564 -6.568 -1.428 1.00 0.00 C ATOM 505 NH1 ARG A 35 21.808 -6.658 -1.880 1.00 0.00 N ATOM 506 NH2 ARG A 35 19.790 -7.645 -1.407 1.00 0.00 N ATOM 0 H ARG A 35 18.484 -1.382 -2.124 1.00 0.00 H new ATOM 0 HA ARG A 35 20.106 -2.052 -4.390 1.00 0.00 H new ATOM 0 HB2 ARG A 35 18.689 -3.448 -2.109 1.00 0.00 H new ATOM 0 HB3 ARG A 35 19.350 -4.399 -3.425 1.00 0.00 H new ATOM 0 HG2 ARG A 35 21.559 -3.791 -2.939 1.00 0.00 H new ATOM 0 HG3 ARG A 35 21.082 -2.350 -2.064 1.00 0.00 H new ATOM 0 HD2 ARG A 35 21.902 -4.403 -0.709 1.00 0.00 H new ATOM 0 HD3 ARG A 35 20.489 -3.537 -0.140 1.00 0.00 H new ATOM 0 HE ARG A 35 19.126 -5.370 -0.662 1.00 0.00 H new ATOM 0 HH11 ARG A 35 22.407 -5.833 -1.892 1.00 0.00 H new ATOM 0 HH12 ARG A 35 22.165 -7.553 -2.215 1.00 0.00 H new ATOM 0 HH21 ARG A 35 18.835 -7.580 -1.055 1.00 0.00 H new ATOM 0 HH22 ARG A 35 20.150 -8.538 -1.743 1.00 0.00 H new ATOM 520 N TYR A 36 16.900 -2.547 -4.544 1.00 0.00 N ATOM 521 CA TYR A 36 15.816 -2.939 -5.431 1.00 0.00 C ATOM 522 C TYR A 36 15.256 -1.752 -6.184 1.00 0.00 C ATOM 523 O TYR A 36 14.169 -1.825 -6.748 1.00 0.00 O ATOM 524 CB TYR A 36 14.719 -3.642 -4.642 1.00 0.00 C ATOM 525 CG TYR A 36 15.172 -4.980 -4.133 1.00 0.00 C ATOM 526 CD1 TYR A 36 14.759 -6.150 -4.741 1.00 0.00 C ATOM 527 CD2 TYR A 36 16.043 -5.062 -3.065 1.00 0.00 C ATOM 528 CE1 TYR A 36 15.208 -7.376 -4.293 1.00 0.00 C ATOM 529 CE2 TYR A 36 16.497 -6.271 -2.601 1.00 0.00 C ATOM 530 CZ TYR A 36 16.080 -7.433 -3.219 1.00 0.00 C ATOM 531 OH TYR A 36 16.539 -8.653 -2.773 1.00 0.00 O ATOM 0 H TYR A 36 16.597 -2.153 -3.653 1.00 0.00 H new ATOM 0 HA TYR A 36 16.220 -3.632 -6.169 1.00 0.00 H new ATOM 0 HB2 TYR A 36 14.417 -3.016 -3.802 1.00 0.00 H new ATOM 0 HB3 TYR A 36 13.841 -3.772 -5.275 1.00 0.00 H new ATOM 0 HD1 TYR A 36 14.077 -6.105 -5.577 1.00 0.00 H new ATOM 0 HD2 TYR A 36 16.375 -4.154 -2.584 1.00 0.00 H new ATOM 0 HE1 TYR A 36 14.881 -8.285 -4.777 1.00 0.00 H new ATOM 0 HE2 TYR A 36 17.174 -6.313 -1.761 1.00 0.00 H new ATOM 0 HH TYR A 36 17.143 -8.517 -2.013 1.00 0.00 H new ATOM 541 N ASN A 37 16.017 -0.661 -6.187 1.00 0.00 N ATOM 542 CA ASN A 37 15.639 0.550 -6.905 1.00 0.00 C ATOM 543 C ASN A 37 14.260 1.023 -6.452 1.00 0.00 C ATOM 544 O ASN A 37 13.413 1.420 -7.255 1.00 0.00 O ATOM 545 CB ASN A 37 15.676 0.296 -8.416 1.00 0.00 C ATOM 546 CG ASN A 37 15.519 1.560 -9.240 1.00 0.00 C ATOM 547 OD1 ASN A 37 15.832 2.662 -8.786 1.00 0.00 O ATOM 548 ND2 ASN A 37 15.048 1.403 -10.468 1.00 0.00 N ATOM 0 H ASN A 37 16.908 -0.592 -5.695 1.00 0.00 H new ATOM 0 HA ASN A 37 16.353 1.341 -6.678 1.00 0.00 H new ATOM 0 HB2 ASN A 37 16.621 -0.183 -8.674 1.00 0.00 H new ATOM 0 HB3 ASN A 37 14.882 -0.403 -8.680 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.932 2.213 -11.077 1.00 0.00 H new ATOM 0 HD22 ASN A 37 14.801 0.472 -10.804 1.00 0.00 H new ATOM 555 N ILE A 38 14.041 0.945 -5.150 1.00 0.00 N ATOM 556 CA ILE A 38 12.808 1.399 -4.552 1.00 0.00 C ATOM 557 C ILE A 38 12.942 2.856 -4.130 1.00 0.00 C ATOM 558 O ILE A 38 13.750 3.197 -3.264 1.00 0.00 O ATOM 559 CB ILE A 38 12.437 0.534 -3.335 1.00 0.00 C ATOM 560 CG1 ILE A 38 12.303 -0.932 -3.751 1.00 0.00 C ATOM 561 CG2 ILE A 38 11.146 1.027 -2.708 1.00 0.00 C ATOM 562 CD1 ILE A 38 12.047 -1.870 -2.599 1.00 0.00 C ATOM 0 H ILE A 38 14.714 0.566 -4.484 1.00 0.00 H new ATOM 0 HA ILE A 38 12.014 1.308 -5.293 1.00 0.00 H new ATOM 0 HB ILE A 38 13.232 0.615 -2.594 1.00 0.00 H new ATOM 0 HG12 ILE A 38 11.488 -1.023 -4.470 1.00 0.00 H new ATOM 0 HG13 ILE A 38 13.215 -1.240 -4.262 1.00 0.00 H new ATOM 0 HG21 ILE A 38 10.898 0.404 -1.849 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.270 2.060 -2.384 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.341 0.971 -3.441 1.00 0.00 H new ATOM 0 HD11 ILE A 38 11.964 -2.891 -2.972 1.00 0.00 H new ATOM 0 HD12 ILE A 38 12.873 -1.809 -1.890 1.00 0.00 H new ATOM 0 HD13 ILE A 38 11.119 -1.589 -2.100 1.00 0.00 H new ATOM 574 N ARG A 39 12.155 3.709 -4.760 1.00 0.00 N ATOM 575 CA ARG A 39 12.205 5.143 -4.499 1.00 0.00 C ATOM 576 C ARG A 39 11.022 5.562 -3.639 1.00 0.00 C ATOM 577 O ARG A 39 10.169 4.744 -3.310 1.00 0.00 O ATOM 578 CB ARG A 39 12.178 5.948 -5.803 1.00 0.00 C ATOM 579 CG ARG A 39 13.371 5.748 -6.717 1.00 0.00 C ATOM 580 CD ARG A 39 13.178 4.553 -7.635 1.00 0.00 C ATOM 581 NE ARG A 39 11.976 4.689 -8.458 1.00 0.00 N ATOM 582 CZ ARG A 39 11.708 3.934 -9.519 1.00 0.00 C ATOM 583 NH1 ARG A 39 12.565 3.002 -9.908 1.00 0.00 N ATOM 584 NH2 ARG A 39 10.577 4.106 -10.188 1.00 0.00 N ATOM 0 H ARG A 39 11.468 3.434 -5.462 1.00 0.00 H new ATOM 0 HA ARG A 39 13.139 5.349 -3.976 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.273 5.687 -6.352 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.106 7.007 -5.555 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.526 6.646 -7.315 1.00 0.00 H new ATOM 0 HG3 ARG A 39 14.270 5.605 -6.117 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.050 4.446 -8.280 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.109 3.644 -7.038 1.00 0.00 H new ATOM 0 HE ARG A 39 11.301 5.409 -8.201 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.434 2.861 -9.393 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.356 2.425 -10.723 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.911 4.818 -9.889 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.373 3.526 -11.002 1.00 0.00 H new ATOM 598 N ARG A 40 10.965 6.843 -3.298 1.00 0.00 N ATOM 599 CA ARG A 40 9.885 7.366 -2.472 1.00 0.00 C ATOM 600 C ARG A 40 9.085 8.418 -3.228 1.00 0.00 C ATOM 601 O ARG A 40 9.653 9.321 -3.847 1.00 0.00 O ATOM 602 CB ARG A 40 10.449 7.981 -1.199 1.00 0.00 C ATOM 603 CG ARG A 40 9.395 8.310 -0.159 1.00 0.00 C ATOM 604 CD ARG A 40 10.013 9.023 1.027 1.00 0.00 C ATOM 605 NE ARG A 40 10.507 10.344 0.652 1.00 0.00 N ATOM 606 CZ ARG A 40 11.502 10.975 1.273 1.00 0.00 C ATOM 607 NH1 ARG A 40 12.063 10.433 2.347 1.00 0.00 N ATOM 608 NH2 ARG A 40 11.925 12.154 0.826 1.00 0.00 N ATOM 0 H ARG A 40 11.655 7.539 -3.581 1.00 0.00 H new ATOM 0 HA ARG A 40 9.225 6.537 -2.216 1.00 0.00 H new ATOM 0 HB2 ARG A 40 11.173 7.292 -0.764 1.00 0.00 H new ATOM 0 HB3 ARG A 40 10.990 8.892 -1.455 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.622 8.937 -0.604 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.909 7.393 0.175 1.00 0.00 H new ATOM 0 HD2 ARG A 40 9.273 9.121 1.821 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.833 8.426 1.427 1.00 0.00 H new ATOM 0 HE ARG A 40 10.062 10.814 -0.136 1.00 0.00 H new ATOM 0 HH11 ARG A 40 11.732 9.534 2.696 1.00 0.00 H new ATOM 0 HH12 ARG A 40 12.825 10.916 2.823 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.487 12.576 0.007 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.687 12.636 1.302 1.00 0.00 H new ATOM 686 N TYR A 45 -2.468 8.729 -2.724 1.00 0.00 N ATOM 687 CA TYR A 45 -3.230 7.575 -3.175 1.00 0.00 C ATOM 688 C TYR A 45 -2.527 6.272 -2.790 1.00 0.00 C ATOM 689 O TYR A 45 -1.491 6.279 -2.113 1.00 0.00 O ATOM 690 CB TYR A 45 -3.381 7.636 -4.693 1.00 0.00 C ATOM 691 CG TYR A 45 -2.095 7.321 -5.412 1.00 0.00 C ATOM 692 CD1 TYR A 45 -1.012 8.187 -5.340 1.00 0.00 C ATOM 693 CD2 TYR A 45 -1.956 6.147 -6.139 1.00 0.00 C ATOM 694 CE1 TYR A 45 0.174 7.898 -5.972 1.00 0.00 C ATOM 695 CE2 TYR A 45 -0.772 5.851 -6.780 1.00 0.00 C ATOM 696 CZ TYR A 45 0.290 6.730 -6.693 1.00 0.00 C ATOM 697 OH TYR A 45 1.473 6.434 -7.325 1.00 0.00 O ATOM 0 HA TYR A 45 -4.209 7.595 -2.696 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.151 6.932 -5.007 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.721 8.630 -4.982 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -1.103 9.104 -4.777 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -2.785 5.458 -6.203 1.00 0.00 H new ATOM 0 HE1 TYR A 45 1.008 8.581 -5.904 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.675 4.937 -7.347 1.00 0.00 H new ATOM 0 HH TYR A 45 1.390 5.575 -7.789 1.00 0.00 H new ATOM 707 N GLN A 46 -3.104 5.164 -3.237 1.00 0.00 N ATOM 708 CA GLN A 46 -2.570 3.833 -2.986 1.00 0.00 C ATOM 709 C GLN A 46 -1.815 3.310 -4.199 1.00 0.00 C ATOM 710 O GLN A 46 -2.414 3.048 -5.240 1.00 0.00 O ATOM 711 CB GLN A 46 -3.719 2.879 -2.666 1.00 0.00 C ATOM 712 CG GLN A 46 -4.194 2.942 -1.231 1.00 0.00 C ATOM 713 CD GLN A 46 -4.609 4.333 -0.819 1.00 0.00 C ATOM 714 OE1 GLN A 46 -5.736 4.735 -1.027 1.00 0.00 O ATOM 715 NE2 GLN A 46 -3.703 5.068 -0.200 1.00 0.00 N ATOM 0 H GLN A 46 -3.962 5.165 -3.788 1.00 0.00 H new ATOM 0 HA GLN A 46 -1.880 3.893 -2.144 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.558 3.104 -3.325 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.403 1.860 -2.888 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.036 2.262 -1.100 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -3.398 2.594 -0.573 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -2.766 4.697 -0.043 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.940 6.007 0.121 1.00 0.00 H new ATOM 724 N ARG A 47 -0.503 3.155 -4.069 1.00 0.00 N ATOM 725 CA ARG A 47 0.296 2.614 -5.154 1.00 0.00 C ATOM 726 C ARG A 47 0.703 1.179 -4.873 1.00 0.00 C ATOM 727 O ARG A 47 1.632 0.647 -5.471 1.00 0.00 O ATOM 728 CB ARG A 47 1.523 3.500 -5.431 1.00 0.00 C ATOM 729 CG ARG A 47 2.399 3.814 -4.214 1.00 0.00 C ATOM 730 CD ARG A 47 3.236 2.617 -3.770 1.00 0.00 C ATOM 731 NE ARG A 47 4.127 2.134 -4.829 1.00 0.00 N ATOM 732 CZ ARG A 47 4.542 0.869 -4.941 1.00 0.00 C ATOM 733 NH1 ARG A 47 4.156 -0.046 -4.057 1.00 0.00 N ATOM 734 NH2 ARG A 47 5.331 0.518 -5.945 1.00 0.00 N ATOM 0 H ARG A 47 0.024 3.395 -3.229 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.320 2.610 -6.053 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.140 3.010 -6.184 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.180 4.441 -5.862 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.060 4.647 -4.452 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.765 4.136 -3.388 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.829 2.895 -2.899 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.573 1.809 -3.460 1.00 0.00 H new ATOM 0 HE ARG A 47 4.451 2.806 -5.524 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.540 0.216 -3.288 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.476 -1.010 -4.148 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.622 1.213 -6.632 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.648 -0.448 -6.031 1.00 0.00 H new ATOM 748 N ILE A 48 -0.025 0.554 -3.984 1.00 0.00 N ATOM 749 CA ILE A 48 0.283 -0.806 -3.561 1.00 0.00 C ATOM 750 C ILE A 48 -0.331 -1.785 -4.551 1.00 0.00 C ATOM 751 O ILE A 48 -1.487 -1.629 -4.922 1.00 0.00 O ATOM 752 CB ILE A 48 -0.254 -1.111 -2.136 1.00 0.00 C ATOM 753 CG1 ILE A 48 0.331 -0.147 -1.091 1.00 0.00 C ATOM 754 CG2 ILE A 48 0.059 -2.549 -1.746 1.00 0.00 C ATOM 755 CD1 ILE A 48 -0.406 1.176 -0.976 1.00 0.00 C ATOM 0 H ILE A 48 -0.843 0.961 -3.531 1.00 0.00 H new ATOM 0 HA ILE A 48 1.368 -0.912 -3.535 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.335 -0.971 -2.157 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.325 -0.638 -0.118 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.373 0.052 -1.341 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.324 -2.746 -0.745 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.412 -3.229 -2.455 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.138 -2.703 -1.758 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.073 1.794 -0.217 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.378 1.693 -1.935 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.442 0.992 -0.693 1.00 0.00 H new ATOM 767 N ARG A 49 0.440 -2.766 -5.016 1.00 0.00 N ATOM 768 CA ARG A 49 -0.102 -3.745 -5.950 1.00 0.00 C ATOM 769 C ARG A 49 0.265 -5.172 -5.582 1.00 0.00 C ATOM 770 O ARG A 49 0.828 -5.904 -6.400 1.00 0.00 O ATOM 771 CB ARG A 49 0.320 -3.456 -7.399 1.00 0.00 C ATOM 772 CG ARG A 49 -0.390 -2.270 -8.041 1.00 0.00 C ATOM 773 CD ARG A 49 0.399 -0.980 -7.887 1.00 0.00 C ATOM 774 NE ARG A 49 1.672 -1.029 -8.608 1.00 0.00 N ATOM 775 CZ ARG A 49 2.401 0.044 -8.913 1.00 0.00 C ATOM 776 NH1 ARG A 49 1.981 1.255 -8.576 1.00 0.00 N ATOM 777 NH2 ARG A 49 3.545 -0.096 -9.573 1.00 0.00 N ATOM 0 H ARG A 49 1.420 -2.902 -4.767 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.185 -3.648 -5.877 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.395 -3.275 -7.422 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.133 -4.345 -8.002 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.549 -2.473 -9.100 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.374 -2.149 -7.588 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.196 -0.145 -8.257 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.588 -0.794 -6.830 1.00 0.00 H new ATOM 0 HE ARG A 49 2.023 -1.942 -8.895 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.096 1.369 -8.081 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.542 2.073 -8.812 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.866 -1.025 -9.846 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.103 0.725 -9.806 1.00 0.00 H new ATOM 791 N SER A 50 -0.081 -5.556 -4.359 1.00 0.00 N ATOM 792 CA SER A 50 0.060 -6.930 -3.892 1.00 0.00 C ATOM 793 C SER A 50 -0.238 -6.984 -2.401 1.00 0.00 C ATOM 794 O SER A 50 -0.380 -5.934 -1.764 1.00 0.00 O ATOM 795 CB SER A 50 1.470 -7.472 -4.165 1.00 0.00 C ATOM 796 OG SER A 50 1.529 -8.875 -3.975 1.00 0.00 O ATOM 0 H SER A 50 -0.469 -4.921 -3.661 1.00 0.00 H new ATOM 0 HA SER A 50 -0.647 -7.556 -4.436 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.764 -7.229 -5.186 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.184 -6.983 -3.503 1.00 0.00 H new ATOM 0 HG SER A 50 2.438 -9.192 -4.158 1.00 0.00 H new ATOM 802 N ASP A 51 -0.350 -8.203 -1.869 1.00 0.00 N ATOM 803 CA ASP A 51 -0.543 -8.443 -0.436 1.00 0.00 C ATOM 804 C ASP A 51 -0.841 -9.907 -0.196 1.00 0.00 C ATOM 805 O ASP A 51 0.012 -10.662 0.272 1.00 0.00 O ATOM 806 CB ASP A 51 -1.688 -7.608 0.139 1.00 0.00 C ATOM 807 CG ASP A 51 -1.763 -7.704 1.646 1.00 0.00 C ATOM 808 OD1 ASP A 51 -2.463 -8.604 2.151 1.00 0.00 O ATOM 809 OD2 ASP A 51 -1.130 -6.877 2.336 1.00 0.00 O ATOM 0 H ASP A 51 -0.309 -9.058 -2.424 1.00 0.00 H new ATOM 0 HA ASP A 51 0.379 -8.151 0.066 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.557 -6.566 -0.151 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.632 -7.942 -0.292 1.00 0.00 H new ATOM 814 N HIS A 52 -2.051 -10.303 -0.543 1.00 0.00 N ATOM 815 CA HIS A 52 -2.488 -11.674 -0.346 1.00 0.00 C ATOM 816 C HIS A 52 -3.781 -11.919 -1.102 1.00 0.00 C ATOM 817 O HIS A 52 -3.801 -12.604 -2.124 1.00 0.00 O ATOM 818 CB HIS A 52 -2.696 -11.951 1.142 1.00 0.00 C ATOM 819 CG HIS A 52 -2.388 -13.352 1.532 1.00 0.00 C ATOM 820 ND1 HIS A 52 -3.350 -14.321 1.722 1.00 0.00 N ATOM 821 CD2 HIS A 52 -1.201 -13.941 1.773 1.00 0.00 C ATOM 822 CE1 HIS A 52 -2.761 -15.452 2.065 1.00 0.00 C ATOM 823 NE2 HIS A 52 -1.454 -15.247 2.103 1.00 0.00 N ATOM 0 H HIS A 52 -2.752 -9.693 -0.964 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.719 -12.347 -0.727 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.067 -11.274 1.721 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -3.730 -11.728 1.404 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -4.355 -14.186 1.615 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -0.230 -13.471 1.717 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -3.261 -16.385 2.278 1.00 0.00 H new ATOM 832 N ASP A 53 -4.855 -11.343 -0.591 1.00 0.00 N ATOM 833 CA ASP A 53 -6.152 -11.405 -1.247 1.00 0.00 C ATOM 834 C ASP A 53 -6.496 -10.027 -1.768 1.00 0.00 C ATOM 835 O ASP A 53 -7.661 -9.635 -1.852 1.00 0.00 O ATOM 836 CB ASP A 53 -7.229 -11.888 -0.272 1.00 0.00 C ATOM 837 CG ASP A 53 -6.956 -13.288 0.237 1.00 0.00 C ATOM 838 OD1 ASP A 53 -6.178 -13.440 1.206 1.00 0.00 O ATOM 839 OD2 ASP A 53 -7.513 -14.251 -0.334 1.00 0.00 O ATOM 0 H ASP A 53 -4.855 -10.821 0.286 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.108 -12.114 -2.073 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.286 -11.201 0.573 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.200 -11.866 -0.767 1.00 0.00 H new ATOM 844 N SER A 54 -5.452 -9.290 -2.099 1.00 0.00 N ATOM 845 CA SER A 54 -5.567 -7.904 -2.486 1.00 0.00 C ATOM 846 C SER A 54 -6.064 -7.752 -3.913 1.00 0.00 C ATOM 847 O SER A 54 -5.921 -8.653 -4.738 1.00 0.00 O ATOM 848 CB SER A 54 -4.206 -7.247 -2.327 1.00 0.00 C ATOM 849 OG SER A 54 -3.178 -8.135 -2.736 1.00 0.00 O ATOM 0 H SER A 54 -4.495 -9.643 -2.106 1.00 0.00 H new ATOM 0 HA SER A 54 -6.302 -7.419 -1.843 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.164 -6.334 -2.921 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.054 -6.958 -1.287 1.00 0.00 H new ATOM 0 HG SER A 54 -2.676 -7.735 -3.476 1.00 0.00 H new ATOM 855 N HIS A 55 -6.644 -6.597 -4.194 1.00 0.00 N ATOM 856 CA HIS A 55 -7.140 -6.287 -5.529 1.00 0.00 C ATOM 857 C HIS A 55 -7.553 -4.834 -5.614 1.00 0.00 C ATOM 858 O HIS A 55 -7.558 -4.123 -4.614 1.00 0.00 O ATOM 859 CB HIS A 55 -8.308 -7.194 -5.960 1.00 0.00 C ATOM 860 CG HIS A 55 -9.451 -7.276 -4.994 1.00 0.00 C ATOM 861 ND1 HIS A 55 -10.719 -6.825 -5.284 1.00 0.00 N ATOM 862 CD2 HIS A 55 -9.519 -7.808 -3.755 1.00 0.00 C ATOM 863 CE1 HIS A 55 -11.516 -7.077 -4.264 1.00 0.00 C ATOM 864 NE2 HIS A 55 -10.813 -7.677 -3.320 1.00 0.00 N ATOM 0 H HIS A 55 -6.785 -5.852 -3.511 1.00 0.00 H new ATOM 0 HA HIS A 55 -6.318 -6.476 -6.219 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -8.689 -6.837 -6.917 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -7.922 -8.200 -6.126 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -10.998 -6.368 -6.152 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -8.703 -8.255 -3.206 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -12.567 -6.834 -4.210 1.00 0.00 H new ATOM 873 N SER A 56 -7.881 -4.403 -6.812 1.00 0.00 N ATOM 874 CA SER A 56 -8.257 -3.023 -7.047 1.00 0.00 C ATOM 875 C SER A 56 -9.756 -2.822 -6.841 1.00 0.00 C ATOM 876 O SER A 56 -10.564 -3.637 -7.288 1.00 0.00 O ATOM 877 CB SER A 56 -7.836 -2.617 -8.461 1.00 0.00 C ATOM 878 OG SER A 56 -8.076 -3.666 -9.387 1.00 0.00 O ATOM 0 H SER A 56 -7.895 -4.992 -7.645 1.00 0.00 H new ATOM 0 HA SER A 56 -7.743 -2.386 -6.327 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.385 -1.726 -8.766 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.778 -2.357 -8.468 1.00 0.00 H new ATOM 0 HG SER A 56 -7.800 -3.381 -10.283 1.00 0.00 H new ATOM 884 N CYS A 57 -10.115 -1.756 -6.138 1.00 0.00 N ATOM 885 CA CYS A 57 -11.513 -1.430 -5.895 1.00 0.00 C ATOM 886 C CYS A 57 -11.751 0.056 -6.125 1.00 0.00 C ATOM 887 O CYS A 57 -10.798 0.814 -6.352 1.00 0.00 O ATOM 888 CB CYS A 57 -11.902 -1.796 -4.468 1.00 0.00 C ATOM 889 SG CYS A 57 -10.860 -1.001 -3.202 1.00 0.00 S ATOM 0 H CYS A 57 -9.453 -1.100 -5.724 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.128 -2.004 -6.588 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -12.942 -1.515 -4.300 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.841 -2.878 -4.350 1.00 0.00 H new ATOM 894 N ALA A 58 -13.018 0.465 -6.073 1.00 0.00 N ATOM 895 CA ALA A 58 -13.400 1.863 -6.255 1.00 0.00 C ATOM 896 C ALA A 58 -12.957 2.366 -7.623 1.00 0.00 C ATOM 897 O ALA A 58 -12.519 3.509 -7.763 1.00 0.00 O ATOM 898 CB ALA A 58 -12.815 2.726 -5.137 1.00 0.00 C ATOM 0 H ALA A 58 -13.805 -0.161 -5.904 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.486 1.936 -6.206 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.109 3.765 -5.287 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.191 2.378 -4.175 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.728 2.651 -5.151 1.00 0.00 H new ATOM 904 N ASN A 59 -13.078 1.489 -8.623 1.00 0.00 N ATOM 905 CA ASN A 59 -12.631 1.768 -9.991 1.00 0.00 C ATOM 906 C ASN A 59 -11.116 1.965 -9.999 1.00 0.00 C ATOM 907 O ASN A 59 -10.578 2.820 -10.702 1.00 0.00 O ATOM 908 CB ASN A 59 -13.357 2.991 -10.575 1.00 0.00 C ATOM 909 CG ASN A 59 -13.215 3.102 -12.086 1.00 0.00 C ATOM 910 OD1 ASN A 59 -12.315 3.772 -12.596 1.00 0.00 O ATOM 911 ND2 ASN A 59 -14.102 2.444 -12.813 1.00 0.00 N ATOM 0 H ASN A 59 -13.490 0.563 -8.507 1.00 0.00 H new ATOM 0 HA ASN A 59 -12.880 0.918 -10.626 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -14.415 2.935 -10.318 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -12.964 3.896 -10.111 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -14.055 2.481 -13.831 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -14.833 1.900 -12.356 1.00 0.00 H new ATOM 918 N ASN A 60 -10.443 1.151 -9.189 1.00 0.00 N ATOM 919 CA ASN A 60 -8.993 1.210 -9.016 1.00 0.00 C ATOM 920 C ASN A 60 -8.546 2.618 -8.623 1.00 0.00 C ATOM 921 O ASN A 60 -7.578 3.159 -9.154 1.00 0.00 O ATOM 922 CB ASN A 60 -8.270 0.726 -10.279 1.00 0.00 C ATOM 923 CG ASN A 60 -6.765 0.562 -10.090 1.00 0.00 C ATOM 924 OD1 ASN A 60 -6.003 0.662 -11.050 1.00 0.00 O ATOM 925 ND2 ASN A 60 -6.319 0.315 -8.861 1.00 0.00 N ATOM 0 H ASN A 60 -10.892 0.426 -8.630 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.722 0.538 -8.202 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.696 -0.228 -10.589 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.452 1.434 -11.087 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.319 0.203 -8.694 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.977 0.238 -8.086 1.00 0.00 H new ATOM 932 N ARG A 61 -9.284 3.219 -7.706 1.00 0.00 N ATOM 933 CA ARG A 61 -8.863 4.470 -7.095 1.00 0.00 C ATOM 934 C ARG A 61 -8.301 4.184 -5.714 1.00 0.00 C ATOM 935 O ARG A 61 -7.679 5.036 -5.088 1.00 0.00 O ATOM 936 CB ARG A 61 -10.023 5.463 -7.013 1.00 0.00 C ATOM 937 CG ARG A 61 -10.440 6.016 -8.365 1.00 0.00 C ATOM 938 CD ARG A 61 -11.612 6.973 -8.243 1.00 0.00 C ATOM 939 NE ARG A 61 -12.821 6.298 -7.773 1.00 0.00 N ATOM 940 CZ ARG A 61 -13.981 6.916 -7.550 1.00 0.00 C ATOM 941 NH1 ARG A 61 -14.093 8.226 -7.751 1.00 0.00 N ATOM 942 NH2 ARG A 61 -15.032 6.222 -7.128 1.00 0.00 N ATOM 0 H ARG A 61 -10.178 2.862 -7.367 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.090 4.925 -7.714 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -10.879 4.973 -6.549 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.738 6.290 -6.362 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.596 6.531 -8.824 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.709 5.193 -9.027 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.354 7.777 -7.554 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.807 7.434 -9.211 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.774 5.293 -7.606 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.289 8.762 -8.077 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.983 8.694 -7.579 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -14.951 5.217 -6.975 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -15.920 6.694 -6.957 1.00 0.00 H new ATOM 956 N GLY A 62 -8.524 2.959 -5.260 1.00 0.00 N ATOM 957 CA GLY A 62 -7.982 2.509 -4.001 1.00 0.00 C ATOM 958 C GLY A 62 -7.633 1.039 -4.062 1.00 0.00 C ATOM 959 O GLY A 62 -8.252 0.281 -4.814 1.00 0.00 O ATOM 0 H GLY A 62 -9.081 2.261 -5.753 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.092 3.089 -3.755 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.706 2.683 -3.205 1.00 0.00 H new ATOM 963 N TRP A 63 -6.623 0.642 -3.313 1.00 0.00 N ATOM 964 CA TRP A 63 -6.213 -0.758 -3.276 1.00 0.00 C ATOM 965 C TRP A 63 -6.813 -1.482 -2.067 1.00 0.00 C ATOM 966 O TRP A 63 -6.814 -0.959 -0.955 1.00 0.00 O ATOM 967 CB TRP A 63 -4.686 -0.859 -3.250 1.00 0.00 C ATOM 968 CG TRP A 63 -4.179 -2.260 -3.388 1.00 0.00 C ATOM 969 CD1 TRP A 63 -3.665 -3.046 -2.402 1.00 0.00 C ATOM 970 CD2 TRP A 63 -4.137 -3.038 -4.587 1.00 0.00 C ATOM 971 NE1 TRP A 63 -3.306 -4.268 -2.910 1.00 0.00 N ATOM 972 CE2 TRP A 63 -3.585 -4.288 -4.253 1.00 0.00 C ATOM 973 CE3 TRP A 63 -4.513 -2.800 -5.910 1.00 0.00 C ATOM 974 CZ2 TRP A 63 -3.399 -5.294 -5.198 1.00 0.00 C ATOM 975 CZ3 TRP A 63 -4.329 -3.796 -6.843 1.00 0.00 C ATOM 976 CH2 TRP A 63 -3.777 -5.031 -6.486 1.00 0.00 C ATOM 0 H TRP A 63 -6.070 1.262 -2.722 1.00 0.00 H new ATOM 0 HA TRP A 63 -6.588 -1.243 -4.177 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -4.276 -0.251 -4.056 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.318 -0.438 -2.314 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -3.556 -2.750 -1.369 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -2.898 -5.036 -2.377 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -4.941 -1.851 -6.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -2.972 -6.247 -4.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -4.616 -3.621 -7.869 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -3.647 -5.791 -7.242 1.00 0.00 H new ATOM 987 N CYS A 64 -7.329 -2.684 -2.298 1.00 0.00 N ATOM 988 CA CYS A 64 -7.870 -3.513 -1.225 1.00 0.00 C ATOM 989 C CYS A 64 -6.754 -4.124 -0.397 1.00 0.00 C ATOM 990 O CYS A 64 -5.944 -4.900 -0.916 1.00 0.00 O ATOM 991 CB CYS A 64 -8.734 -4.635 -1.794 1.00 0.00 C ATOM 992 SG CYS A 64 -10.275 -4.076 -2.585 1.00 0.00 S ATOM 0 H CYS A 64 -7.384 -3.109 -3.224 1.00 0.00 H new ATOM 0 HA CYS A 64 -8.479 -2.870 -0.590 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.148 -5.193 -2.524 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -8.984 -5.327 -0.990 1.00 0.00 H new ATOM 997 N ARG A 65 -6.737 -3.791 0.887 1.00 0.00 N ATOM 998 CA ARG A 65 -5.712 -4.270 1.805 1.00 0.00 C ATOM 999 C ARG A 65 -6.352 -4.823 3.076 1.00 0.00 C ATOM 1000 O ARG A 65 -7.532 -4.578 3.338 1.00 0.00 O ATOM 1001 CB ARG A 65 -4.760 -3.131 2.175 1.00 0.00 C ATOM 1002 CG ARG A 65 -3.854 -2.680 1.046 1.00 0.00 C ATOM 1003 CD ARG A 65 -2.817 -1.686 1.546 1.00 0.00 C ATOM 1004 NE ARG A 65 -2.229 -2.119 2.814 1.00 0.00 N ATOM 1005 CZ ARG A 65 -1.246 -3.013 2.923 1.00 0.00 C ATOM 1006 NH1 ARG A 65 -0.711 -3.564 1.840 1.00 0.00 N ATOM 1007 NH2 ARG A 65 -0.797 -3.360 4.122 1.00 0.00 N ATOM 0 H ARG A 65 -7.432 -3.183 1.321 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.153 -5.064 1.309 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.348 -2.279 2.515 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.143 -3.448 3.015 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.354 -3.544 0.608 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.450 -2.223 0.256 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.031 -1.571 0.799 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.281 -0.708 1.674 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.596 -1.709 3.673 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.052 -3.304 0.914 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.041 -4.247 1.934 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.204 -2.943 4.959 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.045 -4.044 4.207 1.00 0.00 H new ATOM 1021 N PRO A 66 -5.593 -5.590 3.884 1.00 0.00 N ATOM 1022 CA PRO A 66 -6.062 -6.061 5.182 1.00 0.00 C ATOM 1023 C PRO A 66 -5.990 -4.946 6.225 1.00 0.00 C ATOM 1024 O PRO A 66 -6.743 -4.933 7.198 1.00 0.00 O ATOM 1025 CB PRO A 66 -5.098 -7.195 5.554 1.00 0.00 C ATOM 1026 CG PRO A 66 -4.126 -7.318 4.425 1.00 0.00 C ATOM 1027 CD PRO A 66 -4.236 -6.068 3.596 1.00 0.00 C ATOM 0 HA PRO A 66 -7.101 -6.388 5.146 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.581 -6.973 6.488 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.639 -8.130 5.703 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.111 -7.439 4.804 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.348 -8.199 3.822 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.482 -5.332 3.876 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.100 -6.276 2.535 1.00 0.00 H new ATOM 1035 N THR A 67 -5.069 -4.014 6.003 1.00 0.00 N ATOM 1036 CA THR A 67 -4.873 -2.886 6.899 1.00 0.00 C ATOM 1037 C THR A 67 -4.531 -1.638 6.093 1.00 0.00 C ATOM 1038 O THR A 67 -3.771 -1.705 5.125 1.00 0.00 O ATOM 1039 CB THR A 67 -3.736 -3.154 7.898 1.00 0.00 C ATOM 1040 OG1 THR A 67 -3.788 -4.514 8.349 1.00 0.00 O ATOM 1041 CG2 THR A 67 -3.830 -2.220 9.096 1.00 0.00 C ATOM 0 H THR A 67 -4.441 -4.021 5.199 1.00 0.00 H new ATOM 0 HA THR A 67 -5.800 -2.739 7.453 1.00 0.00 H new ATOM 0 HB THR A 67 -2.790 -2.973 7.388 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.059 -4.676 8.984 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.014 -2.431 9.787 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.761 -1.186 8.758 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.783 -2.373 9.603 1.00 0.00 H new ATOM 1049 N CYS A 68 -5.080 -0.514 6.510 1.00 0.00 N ATOM 1050 CA CYS A 68 -4.920 0.743 5.787 1.00 0.00 C ATOM 1051 C CYS A 68 -3.895 1.656 6.458 1.00 0.00 C ATOM 1052 O CYS A 68 -3.858 1.784 7.686 1.00 0.00 O ATOM 1053 CB CYS A 68 -6.277 1.440 5.689 1.00 0.00 C ATOM 1054 SG CYS A 68 -7.533 0.464 4.796 1.00 0.00 S ATOM 0 H CYS A 68 -5.648 -0.441 7.354 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.545 0.523 4.787 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -6.641 1.653 6.694 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.149 2.399 5.187 1.00 0.00 H new ATOM 1059 N PHE A 69 -3.058 2.276 5.635 1.00 0.00 N ATOM 1060 CA PHE A 69 -2.035 3.205 6.109 1.00 0.00 C ATOM 1061 C PHE A 69 -2.608 4.606 6.270 1.00 0.00 C ATOM 1062 O PHE A 69 -3.734 4.882 5.867 1.00 0.00 O ATOM 1063 CB PHE A 69 -0.862 3.271 5.131 1.00 0.00 C ATOM 1064 CG PHE A 69 -0.220 1.953 4.866 1.00 0.00 C ATOM 1065 CD1 PHE A 69 -0.316 1.363 3.619 1.00 0.00 C ATOM 1066 CD2 PHE A 69 0.477 1.302 5.863 1.00 0.00 C ATOM 1067 CE1 PHE A 69 0.272 0.145 3.373 1.00 0.00 C ATOM 1068 CE2 PHE A 69 1.068 0.085 5.625 1.00 0.00 C ATOM 1069 CZ PHE A 69 0.966 -0.497 4.376 1.00 0.00 C ATOM 0 H PHE A 69 -3.068 2.151 4.623 1.00 0.00 H new ATOM 0 HA PHE A 69 -1.687 2.837 7.074 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -1.212 3.690 4.187 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -0.112 3.957 5.525 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.858 1.864 2.831 1.00 0.00 H new ATOM 0 HD2 PHE A 69 0.559 1.754 6.841 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.190 -0.308 2.396 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.611 -0.416 6.413 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.429 -1.454 4.186 1.00 0.00 H new ATOM 1079 N SER A 70 -1.810 5.493 6.833 1.00 0.00 N ATOM 1080 CA SER A 70 -2.226 6.875 7.035 1.00 0.00 C ATOM 1081 C SER A 70 -2.032 7.696 5.758 1.00 0.00 C ATOM 1082 O SER A 70 -1.000 8.344 5.570 1.00 0.00 O ATOM 1083 CB SER A 70 -1.452 7.478 8.202 1.00 0.00 C ATOM 1084 OG SER A 70 -1.672 6.721 9.382 1.00 0.00 O ATOM 0 H SER A 70 -0.867 5.284 7.161 1.00 0.00 H new ATOM 0 HA SER A 70 -3.289 6.894 7.275 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.387 7.500 7.969 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.765 8.510 8.360 1.00 0.00 H new ATOM 0 HG SER A 70 -1.168 7.117 10.123 1.00 0.00 H new ATOM 1090 N HIS A 71 -3.064 7.663 4.911 1.00 0.00 N ATOM 1091 CA HIS A 71 -3.063 8.251 3.566 1.00 0.00 C ATOM 1092 C HIS A 71 -4.136 7.526 2.769 1.00 0.00 C ATOM 1093 O HIS A 71 -4.439 7.867 1.627 1.00 0.00 O ATOM 1094 CB HIS A 71 -1.697 8.146 2.847 1.00 0.00 C ATOM 1095 CG HIS A 71 -1.361 6.788 2.309 1.00 0.00 C ATOM 1096 ND1 HIS A 71 -0.635 6.594 1.156 1.00 0.00 N ATOM 1097 CD2 HIS A 71 -1.650 5.559 2.776 1.00 0.00 C ATOM 1098 CE1 HIS A 71 -0.496 5.302 0.942 1.00 0.00 C ATOM 1099 NE2 HIS A 71 -1.104 4.645 1.910 1.00 0.00 N ATOM 0 H HIS A 71 -3.949 7.214 5.147 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.263 9.319 3.648 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.683 8.859 2.023 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.914 8.447 3.543 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.211 5.333 3.671 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.029 4.855 0.111 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -1.159 3.630 2.000 1.00 0.00 H new ATOM 1108 N GLU A 72 -4.658 6.477 3.397 1.00 0.00 N ATOM 1109 CA GLU A 72 -5.817 5.750 2.922 1.00 0.00 C ATOM 1110 C GLU A 72 -6.748 5.495 4.104 1.00 0.00 C ATOM 1111 O GLU A 72 -6.374 5.735 5.253 1.00 0.00 O ATOM 1112 CB GLU A 72 -5.386 4.427 2.289 1.00 0.00 C ATOM 1113 CG GLU A 72 -4.503 3.595 3.202 1.00 0.00 C ATOM 1114 CD GLU A 72 -3.668 2.549 2.484 1.00 0.00 C ATOM 1115 OE1 GLU A 72 -2.921 2.910 1.551 1.00 0.00 O ATOM 1116 OE2 GLU A 72 -3.706 1.378 2.900 1.00 0.00 O ATOM 0 H GLU A 72 -4.275 6.106 4.267 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.337 6.335 2.163 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.273 3.850 2.025 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.851 4.631 1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.836 4.262 3.749 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.132 3.097 3.940 1.00 0.00 H new ATOM 1123 N TYR A 73 -7.949 5.030 3.829 1.00 0.00 N ATOM 1124 CA TYR A 73 -8.901 4.731 4.884 1.00 0.00 C ATOM 1125 C TYR A 73 -9.789 3.569 4.482 1.00 0.00 C ATOM 1126 O TYR A 73 -9.820 3.170 3.319 1.00 0.00 O ATOM 1127 CB TYR A 73 -9.762 5.959 5.201 1.00 0.00 C ATOM 1128 CG TYR A 73 -10.499 6.517 4.005 1.00 0.00 C ATOM 1129 CD1 TYR A 73 -11.656 5.911 3.524 1.00 0.00 C ATOM 1130 CD2 TYR A 73 -10.031 7.647 3.356 1.00 0.00 C ATOM 1131 CE1 TYR A 73 -12.323 6.417 2.428 1.00 0.00 C ATOM 1132 CE2 TYR A 73 -10.693 8.161 2.257 1.00 0.00 C ATOM 1133 CZ TYR A 73 -11.837 7.541 1.797 1.00 0.00 C ATOM 1134 OH TYR A 73 -12.505 8.055 0.710 1.00 0.00 O ATOM 0 H TYR A 73 -8.291 4.850 2.885 1.00 0.00 H new ATOM 0 HA TYR A 73 -8.341 4.457 5.778 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -10.487 5.693 5.970 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -9.125 6.739 5.619 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -12.038 5.030 4.017 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -9.136 8.134 3.714 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -13.220 5.936 2.067 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.317 9.043 1.761 1.00 0.00 H new ATOM 0 HH TYR A 73 -12.033 8.849 0.382 1.00 0.00 H new ATOM 1144 N THR A 74 -10.522 3.055 5.451 1.00 0.00 N ATOM 1145 CA THR A 74 -11.419 1.941 5.234 1.00 0.00 C ATOM 1146 C THR A 74 -12.712 2.401 4.575 1.00 0.00 C ATOM 1147 O THR A 74 -13.619 2.901 5.244 1.00 0.00 O ATOM 1148 CB THR A 74 -11.753 1.249 6.569 1.00 0.00 C ATOM 1149 OG1 THR A 74 -10.540 0.824 7.208 1.00 0.00 O ATOM 1150 CG2 THR A 74 -12.663 0.048 6.358 1.00 0.00 C ATOM 0 H THR A 74 -10.511 3.400 6.411 1.00 0.00 H new ATOM 0 HA THR A 74 -10.914 1.236 4.573 1.00 0.00 H new ATOM 0 HB THR A 74 -12.276 1.967 7.201 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.814 0.801 6.550 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.880 -0.418 7.319 1.00 0.00 H new ATOM 0 HG22 THR A 74 -13.594 0.374 5.895 1.00 0.00 H new ATOM 0 HG23 THR A 74 -12.168 -0.674 5.708 1.00 0.00 H new ATOM 1158 N ASP A 75 -12.784 2.263 3.263 1.00 0.00 N ATOM 1159 CA ASP A 75 -14.023 2.512 2.552 1.00 0.00 C ATOM 1160 C ASP A 75 -14.900 1.275 2.662 1.00 0.00 C ATOM 1161 O ASP A 75 -14.558 0.209 2.139 1.00 0.00 O ATOM 1162 CB ASP A 75 -13.763 2.864 1.086 1.00 0.00 C ATOM 1163 CG ASP A 75 -15.040 3.170 0.330 1.00 0.00 C ATOM 1164 OD1 ASP A 75 -15.414 4.358 0.236 1.00 0.00 O ATOM 1165 OD2 ASP A 75 -15.672 2.223 -0.178 1.00 0.00 O ATOM 0 H ASP A 75 -12.002 1.981 2.671 1.00 0.00 H new ATOM 0 HA ASP A 75 -14.530 3.367 3.000 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -13.098 3.726 1.035 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -13.247 2.035 0.602 1.00 0.00 H new ATOM 1170 N TRP A 76 -16.004 1.418 3.382 1.00 0.00 N ATOM 1171 CA TRP A 76 -16.890 0.301 3.685 1.00 0.00 C ATOM 1172 C TRP A 76 -17.801 -0.055 2.511 1.00 0.00 C ATOM 1173 O TRP A 76 -18.374 -1.142 2.472 1.00 0.00 O ATOM 1174 CB TRP A 76 -17.716 0.619 4.929 1.00 0.00 C ATOM 1175 CG TRP A 76 -16.897 0.614 6.184 1.00 0.00 C ATOM 1176 CD1 TRP A 76 -16.334 1.690 6.808 1.00 0.00 C ATOM 1177 CD2 TRP A 76 -16.539 -0.532 6.961 1.00 0.00 C ATOM 1178 NE1 TRP A 76 -15.660 1.282 7.934 1.00 0.00 N ATOM 1179 CE2 TRP A 76 -15.768 -0.079 8.046 1.00 0.00 C ATOM 1180 CE3 TRP A 76 -16.799 -1.897 6.843 1.00 0.00 C ATOM 1181 CZ2 TRP A 76 -15.257 -0.945 9.008 1.00 0.00 C ATOM 1182 CZ3 TRP A 76 -16.290 -2.756 7.793 1.00 0.00 C ATOM 1183 CH2 TRP A 76 -15.525 -2.278 8.865 1.00 0.00 C ATOM 0 H TRP A 76 -16.311 2.309 3.772 1.00 0.00 H new ATOM 0 HA TRP A 76 -16.266 -0.573 3.875 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -18.184 1.596 4.809 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -18.521 -0.110 5.022 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -16.408 2.712 6.467 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -15.161 1.893 8.581 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -17.389 -2.275 6.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -14.670 -0.578 9.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -16.484 -3.815 7.710 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -15.139 -2.976 9.593 1.00 0.00 H new ATOM 1194 N PHE A 77 -17.934 0.852 1.556 1.00 0.00 N ATOM 1195 CA PHE A 77 -18.713 0.581 0.353 1.00 0.00 C ATOM 1196 C PHE A 77 -17.990 -0.447 -0.509 1.00 0.00 C ATOM 1197 O PHE A 77 -18.513 -1.524 -0.824 1.00 0.00 O ATOM 1198 CB PHE A 77 -18.933 1.876 -0.434 1.00 0.00 C ATOM 1199 CG PHE A 77 -19.612 1.673 -1.757 1.00 0.00 C ATOM 1200 CD1 PHE A 77 -18.910 1.820 -2.943 1.00 0.00 C ATOM 1201 CD2 PHE A 77 -20.950 1.329 -1.815 1.00 0.00 C ATOM 1202 CE1 PHE A 77 -19.532 1.629 -4.160 1.00 0.00 C ATOM 1203 CE2 PHE A 77 -21.579 1.137 -3.030 1.00 0.00 C ATOM 1204 CZ PHE A 77 -20.869 1.288 -4.204 1.00 0.00 C ATOM 0 H PHE A 77 -17.514 1.781 1.588 1.00 0.00 H new ATOM 0 HA PHE A 77 -19.685 0.180 0.639 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -19.530 2.560 0.169 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -17.969 2.357 -0.601 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -17.864 2.087 -2.914 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -21.510 1.209 -0.899 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -18.973 1.746 -5.077 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -22.625 0.869 -3.061 1.00 0.00 H new ATOM 0 HZ PHE A 77 -21.358 1.140 -5.155 1.00 0.00 H new ATOM 1214 N ASN A 78 -16.765 -0.121 -0.865 1.00 0.00 N ATOM 1215 CA ASN A 78 -15.955 -1.008 -1.668 1.00 0.00 C ATOM 1216 C ASN A 78 -15.405 -2.140 -0.811 1.00 0.00 C ATOM 1217 O ASN A 78 -14.882 -3.119 -1.322 1.00 0.00 O ATOM 1218 CB ASN A 78 -14.828 -0.238 -2.346 1.00 0.00 C ATOM 1219 CG ASN A 78 -15.340 0.802 -3.322 1.00 0.00 C ATOM 1220 OD1 ASN A 78 -15.553 0.509 -4.497 1.00 0.00 O ATOM 1221 ND2 ASN A 78 -15.551 2.020 -2.843 1.00 0.00 N ATOM 0 H ASN A 78 -16.309 0.755 -0.609 1.00 0.00 H new ATOM 0 HA ASN A 78 -16.580 -1.443 -2.448 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -14.218 0.251 -1.586 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -14.180 -0.938 -2.873 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -15.903 2.755 -3.456 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -15.361 2.222 -1.861 1.00 0.00 H new ATOM 1228 N ASN A 79 -15.538 -2.006 0.500 1.00 0.00 N ATOM 1229 CA ASN A 79 -15.223 -3.095 1.416 1.00 0.00 C ATOM 1230 C ASN A 79 -16.108 -4.291 1.082 1.00 0.00 C ATOM 1231 O ASN A 79 -15.666 -5.439 1.115 1.00 0.00 O ATOM 1232 CB ASN A 79 -15.451 -2.634 2.859 1.00 0.00 C ATOM 1233 CG ASN A 79 -14.913 -3.583 3.913 1.00 0.00 C ATOM 1234 OD1 ASN A 79 -14.906 -4.799 3.748 1.00 0.00 O ATOM 1235 ND2 ASN A 79 -14.451 -3.015 5.016 1.00 0.00 N ATOM 0 H ASN A 79 -15.862 -1.153 0.955 1.00 0.00 H new ATOM 0 HA ASN A 79 -14.178 -3.387 1.312 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -14.984 -1.658 2.994 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -16.521 -2.500 3.020 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -14.072 -3.592 5.767 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -14.474 -2.000 5.115 1.00 0.00 H new ATOM 1242 N ASP A 80 -17.352 -3.999 0.713 1.00 0.00 N ATOM 1243 CA ASP A 80 -18.296 -5.030 0.299 1.00 0.00 C ATOM 1244 C ASP A 80 -17.816 -5.720 -0.973 1.00 0.00 C ATOM 1245 O ASP A 80 -17.922 -6.940 -1.100 1.00 0.00 O ATOM 1246 CB ASP A 80 -19.684 -4.426 0.067 1.00 0.00 C ATOM 1247 CG ASP A 80 -20.716 -5.461 -0.347 1.00 0.00 C ATOM 1248 OD1 ASP A 80 -20.942 -5.634 -1.565 1.00 0.00 O ATOM 1249 OD2 ASP A 80 -21.318 -6.096 0.544 1.00 0.00 O ATOM 0 H ASP A 80 -17.730 -3.052 0.693 1.00 0.00 H new ATOM 0 HA ASP A 80 -18.360 -5.769 1.098 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -20.017 -3.932 0.980 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -19.617 -3.658 -0.704 1.00 0.00 H new ATOM 1254 N VAL A 81 -17.272 -4.943 -1.912 1.00 0.00 N ATOM 1255 CA VAL A 81 -16.774 -5.520 -3.162 1.00 0.00 C ATOM 1256 C VAL A 81 -15.483 -6.308 -2.924 1.00 0.00 C ATOM 1257 O VAL A 81 -15.103 -7.161 -3.725 1.00 0.00 O ATOM 1258 CB VAL A 81 -16.546 -4.454 -4.267 1.00 0.00 C ATOM 1259 CG1 VAL A 81 -17.668 -3.429 -4.277 1.00 0.00 C ATOM 1260 CG2 VAL A 81 -15.190 -3.771 -4.146 1.00 0.00 C ATOM 0 H VAL A 81 -17.166 -3.932 -1.834 1.00 0.00 H new ATOM 0 HA VAL A 81 -17.551 -6.197 -3.517 1.00 0.00 H new ATOM 0 HB VAL A 81 -16.552 -4.983 -5.220 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -17.483 -2.694 -5.061 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -18.617 -3.930 -4.467 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -17.710 -2.926 -3.311 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -15.081 -3.035 -4.942 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -15.118 -3.273 -3.179 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -14.399 -4.516 -4.230 1.00 0.00 H new ATOM 1270 N CYS A 82 -14.817 -6.013 -1.815 1.00 0.00 N ATOM 1271 CA CYS A 82 -13.594 -6.715 -1.440 1.00 0.00 C ATOM 1272 C CYS A 82 -13.899 -7.993 -0.665 1.00 0.00 C ATOM 1273 O CYS A 82 -13.165 -8.977 -0.759 1.00 0.00 O ATOM 1274 CB CYS A 82 -12.688 -5.805 -0.609 1.00 0.00 C ATOM 1275 SG CYS A 82 -12.099 -4.330 -1.500 1.00 0.00 S ATOM 0 H CYS A 82 -15.104 -5.289 -1.156 1.00 0.00 H new ATOM 0 HA CYS A 82 -13.078 -6.991 -2.360 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -13.229 -5.486 0.282 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -11.826 -6.380 -0.270 1.00 0.00 H new ATOM 1280 N GLY A 83 -14.976 -7.973 0.104 1.00 0.00 N ATOM 1281 CA GLY A 83 -15.374 -9.145 0.854 1.00 0.00 C ATOM 1282 C GLY A 83 -14.625 -9.273 2.166 1.00 0.00 C ATOM 1283 O GLY A 83 -15.116 -8.849 3.213 1.00 0.00 O ATOM 0 H GLY A 83 -15.584 -7.163 0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -16.445 -9.099 1.053 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -15.199 -10.036 0.251 1.00 0.00 H new ATOM 1287 N SER A 84 -13.433 -9.850 2.108 1.00 0.00 N ATOM 1288 CA SER A 84 -12.618 -10.035 3.302 1.00 0.00 C ATOM 1289 C SER A 84 -11.837 -8.762 3.612 1.00 0.00 C ATOM 1290 O SER A 84 -11.824 -8.285 4.750 1.00 0.00 O ATOM 1291 CB SER A 84 -11.658 -11.215 3.111 1.00 0.00 C ATOM 1292 OG SER A 84 -10.950 -11.506 4.304 1.00 0.00 O ATOM 0 H SER A 84 -13.008 -10.198 1.248 1.00 0.00 H new ATOM 0 HA SER A 84 -13.276 -10.253 4.143 1.00 0.00 H new ATOM 0 HB2 SER A 84 -12.219 -12.095 2.796 1.00 0.00 H new ATOM 0 HB3 SER A 84 -10.951 -10.985 2.314 1.00 0.00 H new ATOM 0 HG SER A 84 -10.348 -12.264 4.150 1.00 0.00 H new ATOM 1298 N TYR A 85 -11.196 -8.209 2.590 1.00 0.00 N ATOM 1299 CA TYR A 85 -10.401 -7.000 2.748 1.00 0.00 C ATOM 1300 C TYR A 85 -11.263 -5.762 2.851 1.00 0.00 C ATOM 1301 O TYR A 85 -12.460 -5.786 2.566 1.00 0.00 O ATOM 1302 CB TYR A 85 -9.442 -6.833 1.577 1.00 0.00 C ATOM 1303 CG TYR A 85 -8.175 -7.633 1.710 1.00 0.00 C ATOM 1304 CD1 TYR A 85 -7.155 -7.491 0.788 1.00 0.00 C ATOM 1305 CD2 TYR A 85 -7.993 -8.522 2.758 1.00 0.00 C ATOM 1306 CE1 TYR A 85 -5.990 -8.215 0.901 1.00 0.00 C ATOM 1307 CE2 TYR A 85 -6.832 -9.247 2.881 1.00 0.00 C ATOM 1308 CZ TYR A 85 -5.832 -9.091 1.951 1.00 0.00 C ATOM 1309 OH TYR A 85 -4.681 -9.829 2.058 1.00 0.00 O ATOM 0 H TYR A 85 -11.212 -8.581 1.640 1.00 0.00 H new ATOM 0 HA TYR A 85 -9.842 -7.112 3.677 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -9.951 -7.126 0.659 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.186 -5.778 1.477 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -7.274 -6.801 -0.034 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -8.777 -8.647 3.490 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.204 -8.096 0.170 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -6.706 -9.935 3.704 1.00 0.00 H new ATOM 0 HH TYR A 85 -3.938 -9.336 1.652 1.00 0.00 H new ATOM 1319 N ARG A 86 -10.627 -4.683 3.256 1.00 0.00 N ATOM 1320 CA ARG A 86 -11.256 -3.387 3.297 1.00 0.00 C ATOM 1321 C ARG A 86 -10.674 -2.532 2.188 1.00 0.00 C ATOM 1322 O ARG A 86 -9.486 -2.645 1.872 1.00 0.00 O ATOM 1323 CB ARG A 86 -11.042 -2.733 4.665 1.00 0.00 C ATOM 1324 CG ARG A 86 -9.582 -2.551 5.058 1.00 0.00 C ATOM 1325 CD ARG A 86 -9.372 -2.804 6.543 1.00 0.00 C ATOM 1326 NE ARG A 86 -10.132 -1.885 7.388 1.00 0.00 N ATOM 1327 CZ ARG A 86 -10.701 -2.232 8.544 1.00 0.00 C ATOM 1328 NH1 ARG A 86 -10.621 -3.484 8.983 1.00 0.00 N ATOM 1329 NH2 ARG A 86 -11.356 -1.324 9.257 1.00 0.00 N ATOM 0 H ARG A 86 -9.655 -4.684 3.567 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.331 -3.490 3.147 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -11.530 -1.758 4.668 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.536 -3.339 5.424 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.960 -3.234 4.479 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.260 -1.539 4.811 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.661 -3.829 6.777 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.311 -2.711 6.776 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.234 -0.920 7.075 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.123 -4.186 8.435 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.058 -3.743 9.867 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -11.424 -0.363 8.921 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -11.792 -1.587 10.141 1.00 0.00 H new ATOM 1343 N CYS A 87 -11.500 -1.703 1.578 1.00 0.00 N ATOM 1344 CA CYS A 87 -11.036 -0.890 0.476 1.00 0.00 C ATOM 1345 C CYS A 87 -10.289 0.312 1.006 1.00 0.00 C ATOM 1346 O CYS A 87 -10.885 1.209 1.599 1.00 0.00 O ATOM 1347 CB CYS A 87 -12.197 -0.436 -0.394 1.00 0.00 C ATOM 1348 SG CYS A 87 -11.680 0.512 -1.867 1.00 0.00 S ATOM 0 H CYS A 87 -12.482 -1.577 1.824 1.00 0.00 H new ATOM 0 HA CYS A 87 -10.366 -1.493 -0.137 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -12.763 -1.310 -0.715 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -12.870 0.177 0.205 1.00 0.00 H new ATOM 1353 N CYS A 88 -8.987 0.322 0.808 1.00 0.00 N ATOM 1354 CA CYS A 88 -8.174 1.421 1.262 1.00 0.00 C ATOM 1355 C CYS A 88 -8.207 2.541 0.236 1.00 0.00 C ATOM 1356 O CYS A 88 -7.479 2.528 -0.756 1.00 0.00 O ATOM 1357 CB CYS A 88 -6.753 0.941 1.545 1.00 0.00 C ATOM 1358 SG CYS A 88 -6.672 -0.287 2.895 1.00 0.00 S ATOM 0 H CYS A 88 -8.473 -0.421 0.335 1.00 0.00 H new ATOM 0 HA CYS A 88 -8.574 1.816 2.196 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -6.335 0.504 0.638 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -6.130 1.798 1.802 1.00 0.00 H new ATOM 1363 N ARG A 89 -9.110 3.479 0.475 1.00 0.00 N ATOM 1364 CA ARG A 89 -9.294 4.624 -0.397 1.00 0.00 C ATOM 1365 C ARG A 89 -8.477 5.804 0.114 1.00 0.00 C ATOM 1366 O ARG A 89 -8.422 6.044 1.317 1.00 0.00 O ATOM 1367 CB ARG A 89 -10.778 4.989 -0.471 1.00 0.00 C ATOM 1368 CG ARG A 89 -11.558 4.184 -1.487 1.00 0.00 C ATOM 1369 CD ARG A 89 -11.261 4.657 -2.894 1.00 0.00 C ATOM 1370 NE ARG A 89 -11.549 6.082 -3.052 1.00 0.00 N ATOM 1371 CZ ARG A 89 -12.662 6.567 -3.603 1.00 0.00 C ATOM 1372 NH1 ARG A 89 -13.636 5.749 -3.976 1.00 0.00 N ATOM 1373 NH2 ARG A 89 -12.812 7.875 -3.756 1.00 0.00 N ATOM 0 H ARG A 89 -9.736 3.466 1.280 1.00 0.00 H new ATOM 0 HA ARG A 89 -8.948 4.371 -1.399 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -11.226 4.847 0.512 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -10.870 6.048 -0.713 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -11.304 3.128 -1.393 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -12.626 4.274 -1.286 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -10.214 4.468 -3.129 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -11.856 4.083 -3.605 1.00 0.00 H new ATOM 0 HE ARG A 89 -10.853 6.749 -2.719 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -13.536 4.743 -3.842 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -14.485 6.126 -4.397 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -12.075 8.512 -3.452 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -13.664 8.245 -4.178 1.00 0.00 H new ATOM 1387 N PRO A 90 -7.829 6.542 -0.801 1.00 0.00 N ATOM 1388 CA PRO A 90 -6.913 7.639 -0.451 1.00 0.00 C ATOM 1389 C PRO A 90 -7.538 8.690 0.459 1.00 0.00 C ATOM 1390 O PRO A 90 -8.535 9.327 0.103 1.00 0.00 O ATOM 1391 CB PRO A 90 -6.568 8.254 -1.807 1.00 0.00 C ATOM 1392 CG PRO A 90 -6.760 7.146 -2.784 1.00 0.00 C ATOM 1393 CD PRO A 90 -7.916 6.348 -2.261 1.00 0.00 C ATOM 0 HA PRO A 90 -6.055 7.271 0.111 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -7.217 9.100 -2.035 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -5.543 8.624 -1.825 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.970 7.534 -3.781 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.863 6.532 -2.863 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.865 6.707 -2.659 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.834 5.296 -2.533 1.00 0.00 H new ATOM 1401 N GLY A 91 -6.940 8.866 1.628 1.00 0.00 N ATOM 1402 CA GLY A 91 -7.407 9.853 2.572 1.00 0.00 C ATOM 1403 C GLY A 91 -7.219 9.409 4.010 1.00 0.00 C ATOM 1404 O GLY A 91 -6.232 8.744 4.347 1.00 0.00 O ATOM 0 H GLY A 91 -6.128 8.333 1.940 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.872 10.789 2.410 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.463 10.054 2.391 1.00 0.00 H new ATOM 1408 N ARG A 92 -8.168 9.778 4.859 1.00 0.00 N ATOM 1409 CA ARG A 92 -8.133 9.389 6.258 1.00 0.00 C ATOM 1410 C ARG A 92 -9.531 9.480 6.860 1.00 0.00 C ATOM 1411 O ARG A 92 -9.706 9.748 8.050 1.00 0.00 O ATOM 1412 CB ARG A 92 -7.154 10.285 7.010 1.00 0.00 C ATOM 1413 CG ARG A 92 -6.645 9.689 8.312 1.00 0.00 C ATOM 1414 CD ARG A 92 -5.682 10.630 9.020 1.00 0.00 C ATOM 1415 NE ARG A 92 -6.354 11.820 9.549 1.00 0.00 N ATOM 1416 CZ ARG A 92 -5.852 13.057 9.487 1.00 0.00 C ATOM 1417 NH1 ARG A 92 -4.705 13.287 8.860 1.00 0.00 N ATOM 1418 NH2 ARG A 92 -6.505 14.069 10.048 1.00 0.00 N ATOM 0 H ARG A 92 -8.973 10.348 4.600 1.00 0.00 H new ATOM 0 HA ARG A 92 -7.795 8.356 6.343 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -6.303 10.499 6.363 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -7.640 11.237 7.224 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.488 9.470 8.967 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -6.145 8.742 8.108 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -5.193 10.099 9.836 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.900 10.936 8.325 1.00 0.00 H new ATOM 0 HE ARG A 92 -7.264 11.696 9.993 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -4.200 12.517 8.421 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -4.328 14.234 8.817 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -7.390 13.902 10.527 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -6.121 15.013 10.000 1.00 0.00 H new