USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 773 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 Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -5.58! C(o=-5.6!,f=-6.6!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.0104 K(o=-0.01,f=-1) USER MOD Single : A 47 ASN : amide:sc= -0.445 X(o=-0.45,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -122:sc= -0.0107 (180deg=-0.976) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN :FLIP amide:sc= -3.66! C(o=-4.6!,f=-3.7!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -1.21 K(o=-1.2,f=-4.1!) USER MOD Single : A 69 SER OG : rot -169:sc= -2.55! USER MOD Single : A 79 ASN : amide:sc= -3.11! C(o=-3.1!,f=-5!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc=-0.00693 K(o=-0.0069,f=-1.3) USER MOD Single : A 94 GLN : amide:sc= -0.0544 K(o=-0.054,f=-1.9!) USER MOD Single : A 96 GLN : amide:sc= -3.74 X(o=-3.7,f=-4.1!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -41:sc= 0.928 USER MOD ----------------------------------------------------------------- ATOM 83 N ALA A 9 10.774 11.761 -17.584 1.00 0.00 N ATOM 84 CA ALA A 9 11.179 11.251 -16.280 1.00 0.00 C ATOM 85 C ALA A 9 11.480 9.757 -16.344 1.00 0.00 C ATOM 86 O ALA A 9 10.864 9.023 -17.115 1.00 0.00 O ATOM 87 CB ALA A 9 10.099 11.530 -15.246 1.00 0.00 C ATOM 0 HA ALA A 9 12.092 11.766 -15.983 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.415 11.144 -14.277 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.935 12.605 -15.172 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.172 11.041 -15.547 1.00 0.00 H new ATOM 93 N ALA A 10 12.432 9.315 -15.529 1.00 0.00 N ATOM 94 CA ALA A 10 12.814 7.909 -15.492 1.00 0.00 C ATOM 95 C ALA A 10 11.953 7.132 -14.501 1.00 0.00 C ATOM 96 O ALA A 10 11.410 7.687 -13.546 1.00 0.00 O ATOM 97 CB ALA A 10 14.287 7.771 -15.136 1.00 0.00 C ATOM 0 H ALA A 10 12.953 9.911 -14.885 1.00 0.00 H new ATOM 0 HA ALA A 10 12.650 7.488 -16.484 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.558 6.716 -15.112 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.892 8.284 -15.884 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.468 8.214 -14.157 1.00 0.00 H new ATOM 103 N PRO A 11 11.823 5.817 -14.733 1.00 0.00 N ATOM 104 CA PRO A 11 11.029 4.936 -13.871 1.00 0.00 C ATOM 105 C PRO A 11 11.670 4.732 -12.503 1.00 0.00 C ATOM 106 O PRO A 11 12.895 4.671 -12.383 1.00 0.00 O ATOM 107 CB PRO A 11 10.994 3.618 -14.648 1.00 0.00 C ATOM 108 CG PRO A 11 12.218 3.646 -15.497 1.00 0.00 C ATOM 109 CD PRO A 11 12.442 5.089 -15.853 1.00 0.00 C ATOM 0 HA PRO A 11 10.042 5.350 -13.663 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.999 2.761 -13.974 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.092 3.540 -15.256 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.075 3.239 -14.960 1.00 0.00 H new ATOM 0 HG3 PRO A 11 12.086 3.039 -16.393 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.503 5.320 -15.945 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.977 5.345 -16.805 1.00 0.00 H new ATOM 117 N LEU A 12 10.837 4.625 -11.474 1.00 0.00 N ATOM 118 CA LEU A 12 11.323 4.426 -10.113 1.00 0.00 C ATOM 119 C LEU A 12 11.192 2.965 -9.696 1.00 0.00 C ATOM 120 O LEU A 12 10.246 2.280 -10.088 1.00 0.00 O ATOM 121 CB LEU A 12 10.550 5.318 -9.140 1.00 0.00 C ATOM 122 CG LEU A 12 10.489 6.804 -9.493 1.00 0.00 C ATOM 123 CD1 LEU A 12 9.522 7.533 -8.574 1.00 0.00 C ATOM 124 CD2 LEU A 12 11.875 7.428 -9.414 1.00 0.00 C ATOM 0 H LEU A 12 9.821 4.673 -11.556 1.00 0.00 H new ATOM 0 HA LEU A 12 12.378 4.698 -10.086 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.530 4.941 -9.065 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.000 5.218 -8.152 1.00 0.00 H new ATOM 0 HG LEU A 12 10.126 6.899 -10.516 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.493 8.589 -8.841 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.526 7.104 -8.680 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.854 7.429 -7.541 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.813 8.486 -9.668 1.00 0.00 H new ATOM 0 HD22 LEU A 12 12.265 7.320 -8.402 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.541 6.925 -10.115 1.00 0.00 H new ATOM 136 N CYS A 13 12.145 2.495 -8.899 1.00 0.00 N ATOM 137 CA CYS A 13 12.136 1.115 -8.428 1.00 0.00 C ATOM 138 C CYS A 13 12.072 1.061 -6.905 1.00 0.00 C ATOM 139 O CYS A 13 13.004 1.482 -6.219 1.00 0.00 O ATOM 140 CB CYS A 13 13.379 0.376 -8.925 1.00 0.00 C ATOM 141 SG CYS A 13 13.442 0.161 -10.719 1.00 0.00 S ATOM 0 H CYS A 13 12.934 3.049 -8.565 1.00 0.00 H new ATOM 0 HA CYS A 13 11.248 0.626 -8.829 1.00 0.00 H new ATOM 0 HB2 CYS A 13 14.266 0.922 -8.604 1.00 0.00 H new ATOM 0 HB3 CYS A 13 13.419 -0.605 -8.451 1.00 0.00 H new ATOM 0 HG CYS A 13 14.530 -0.472 -11.042 1.00 0.00 H new ATOM 147 N VAL A 14 10.966 0.542 -6.382 1.00 0.00 N ATOM 148 CA VAL A 14 10.780 0.434 -4.939 1.00 0.00 C ATOM 149 C VAL A 14 10.559 -1.015 -4.521 1.00 0.00 C ATOM 150 O VAL A 14 9.984 -1.808 -5.267 1.00 0.00 O ATOM 151 CB VAL A 14 9.587 1.283 -4.462 1.00 0.00 C ATOM 152 CG1 VAL A 14 9.785 2.743 -4.838 1.00 0.00 C ATOM 153 CG2 VAL A 14 8.287 0.746 -5.042 1.00 0.00 C ATOM 0 H VAL A 14 10.185 0.190 -6.935 1.00 0.00 H new ATOM 0 HA VAL A 14 11.691 0.808 -4.473 1.00 0.00 H new ATOM 0 HB VAL A 14 9.529 1.218 -3.375 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.932 3.327 -4.492 1.00 0.00 H new ATOM 0 HG12 VAL A 14 10.695 3.119 -4.370 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.870 2.831 -5.921 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.454 1.357 -4.695 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.333 0.779 -6.131 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.141 -0.284 -4.717 1.00 0.00 H new ATOM 163 N LYS A 15 11.019 -1.356 -3.322 1.00 0.00 N ATOM 164 CA LYS A 15 10.871 -2.710 -2.802 1.00 0.00 C ATOM 165 C LYS A 15 9.754 -2.775 -1.765 1.00 0.00 C ATOM 166 O LYS A 15 9.866 -2.203 -0.680 1.00 0.00 O ATOM 167 CB LYS A 15 12.186 -3.186 -2.181 1.00 0.00 C ATOM 168 CG LYS A 15 13.135 -3.822 -3.181 1.00 0.00 C ATOM 169 CD LYS A 15 14.423 -4.277 -2.515 1.00 0.00 C ATOM 170 CE LYS A 15 15.308 -3.096 -2.146 1.00 0.00 C ATOM 171 NZ LYS A 15 16.346 -3.471 -1.147 1.00 0.00 N ATOM 0 H LYS A 15 11.498 -0.713 -2.692 1.00 0.00 H new ATOM 0 HA LYS A 15 10.610 -3.365 -3.633 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.683 -2.338 -1.709 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.966 -3.906 -1.393 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.648 -4.675 -3.655 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.365 -3.107 -3.971 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.187 -4.850 -1.618 1.00 0.00 H new ATOM 0 HD3 LYS A 15 14.965 -4.943 -3.186 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.791 -2.710 -3.044 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.691 -2.292 -1.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 16.928 -2.639 -0.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.885 -3.816 -0.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.951 -4.221 -1.539 1.00 0.00 H new ATOM 185 N VAL A 16 8.677 -3.475 -2.105 1.00 0.00 N ATOM 186 CA VAL A 16 7.540 -3.617 -1.202 1.00 0.00 C ATOM 187 C VAL A 16 7.586 -4.951 -0.466 1.00 0.00 C ATOM 188 O VAL A 16 7.913 -5.983 -1.052 1.00 0.00 O ATOM 189 CB VAL A 16 6.204 -3.507 -1.961 1.00 0.00 C ATOM 190 CG1 VAL A 16 5.042 -3.871 -1.050 1.00 0.00 C ATOM 191 CG2 VAL A 16 6.028 -2.107 -2.529 1.00 0.00 C ATOM 0 H VAL A 16 8.567 -3.953 -2.999 1.00 0.00 H new ATOM 0 HA VAL A 16 7.606 -2.804 -0.479 1.00 0.00 H new ATOM 0 HB VAL A 16 6.219 -4.212 -2.792 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.106 -3.788 -1.603 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.164 -4.895 -0.696 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.021 -3.192 -0.198 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.079 -2.047 -3.062 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.034 -1.381 -1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.845 -1.888 -3.217 1.00 0.00 H new ATOM 201 N GLU A 17 7.256 -4.922 0.821 1.00 0.00 N ATOM 202 CA GLU A 17 7.260 -6.131 1.637 1.00 0.00 C ATOM 203 C GLU A 17 5.993 -6.220 2.484 1.00 0.00 C ATOM 204 O GLU A 17 5.685 -5.313 3.257 1.00 0.00 O ATOM 205 CB GLU A 17 8.493 -6.158 2.542 1.00 0.00 C ATOM 206 CG GLU A 17 8.796 -7.531 3.118 1.00 0.00 C ATOM 207 CD GLU A 17 9.717 -7.469 4.321 1.00 0.00 C ATOM 208 OE1 GLU A 17 9.219 -7.203 5.436 1.00 0.00 O ATOM 209 OE2 GLU A 17 10.934 -7.686 4.149 1.00 0.00 O ATOM 0 H GLU A 17 6.983 -4.076 1.321 1.00 0.00 H new ATOM 0 HA GLU A 17 7.290 -6.990 0.967 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.357 -5.813 1.975 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.347 -5.454 3.361 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.862 -8.015 3.405 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.253 -8.152 2.347 1.00 0.00 H new ATOM 216 N PHE A 18 5.262 -7.319 2.330 1.00 0.00 N ATOM 217 CA PHE A 18 4.028 -7.527 3.079 1.00 0.00 C ATOM 218 C PHE A 18 4.236 -8.542 4.199 1.00 0.00 C ATOM 219 O PHE A 18 4.829 -9.599 3.992 1.00 0.00 O ATOM 220 CB PHE A 18 2.914 -8.004 2.144 1.00 0.00 C ATOM 221 CG PHE A 18 2.547 -7.000 1.088 1.00 0.00 C ATOM 222 CD1 PHE A 18 1.689 -5.952 1.378 1.00 0.00 C ATOM 223 CD2 PHE A 18 3.061 -7.105 -0.194 1.00 0.00 C ATOM 224 CE1 PHE A 18 1.349 -5.028 0.408 1.00 0.00 C ATOM 225 CE2 PHE A 18 2.725 -6.184 -1.169 1.00 0.00 C ATOM 226 CZ PHE A 18 1.869 -5.143 -0.866 1.00 0.00 C ATOM 0 H PHE A 18 5.503 -8.079 1.694 1.00 0.00 H new ATOM 0 HA PHE A 18 3.738 -6.575 3.524 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.227 -8.929 1.661 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.029 -8.237 2.736 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.281 -5.856 2.373 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.732 -7.916 -0.435 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.677 -4.217 0.646 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.131 -6.278 -2.165 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.607 -4.420 -1.624 1.00 0.00 H new ATOM 236 N GLY A 19 3.742 -8.210 5.389 1.00 0.00 N ATOM 237 CA GLY A 19 3.884 -9.102 6.525 1.00 0.00 C ATOM 238 C GLY A 19 2.574 -9.324 7.254 1.00 0.00 C ATOM 239 O GLY A 19 1.799 -8.389 7.453 1.00 0.00 O ATOM 0 H GLY A 19 3.247 -7.340 5.586 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.273 -10.061 6.184 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.617 -8.689 7.218 1.00 0.00 H new ATOM 243 N GLY A 20 2.324 -10.567 7.654 1.00 0.00 N ATOM 244 CA GLY A 20 1.097 -10.888 8.360 1.00 0.00 C ATOM 245 C GLY A 20 0.083 -11.583 7.473 1.00 0.00 C ATOM 246 O GLY A 20 -1.114 -11.317 7.561 1.00 0.00 O ATOM 0 H GLY A 20 2.950 -11.358 7.502 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.328 -11.527 9.212 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.660 -9.972 8.758 1.00 0.00 H new ATOM 250 N GLY A 21 0.565 -12.478 6.615 1.00 0.00 N ATOM 251 CA GLY A 21 -0.321 -13.199 5.720 1.00 0.00 C ATOM 252 C GLY A 21 -0.667 -12.399 4.479 1.00 0.00 C ATOM 253 O GLY A 21 -0.901 -12.967 3.412 1.00 0.00 O ATOM 0 H GLY A 21 1.553 -12.716 6.524 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.150 -14.137 5.425 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.238 -13.456 6.250 1.00 0.00 H new ATOM 257 N ALA A 22 -0.702 -11.078 4.619 1.00 0.00 N ATOM 258 CA ALA A 22 -1.023 -10.200 3.500 1.00 0.00 C ATOM 259 C ALA A 22 -0.210 -10.568 2.263 1.00 0.00 C ATOM 260 O ALA A 22 -0.604 -10.264 1.138 1.00 0.00 O ATOM 261 CB ALA A 22 -0.777 -8.748 3.882 1.00 0.00 C ATOM 0 H ALA A 22 -0.512 -10.592 5.496 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.079 -10.328 3.261 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.021 -8.103 3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.405 -8.484 4.733 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.271 -8.615 4.150 1.00 0.00 H new ATOM 267 N GLU A 23 0.926 -11.224 2.481 1.00 0.00 N ATOM 268 CA GLU A 23 1.794 -11.631 1.382 1.00 0.00 C ATOM 269 C GLU A 23 1.029 -12.479 0.370 1.00 0.00 C ATOM 270 O GLU A 23 1.249 -12.374 -0.838 1.00 0.00 O ATOM 271 CB GLU A 23 2.995 -12.415 1.915 1.00 0.00 C ATOM 272 CG GLU A 23 2.636 -13.792 2.447 1.00 0.00 C ATOM 273 CD GLU A 23 3.717 -14.375 3.335 1.00 0.00 C ATOM 274 OE1 GLU A 23 3.761 -14.017 4.531 1.00 0.00 O ATOM 275 OE2 GLU A 23 4.520 -15.190 2.835 1.00 0.00 O ATOM 0 H GLU A 23 1.266 -11.484 3.407 1.00 0.00 H new ATOM 0 HA GLU A 23 2.150 -10.730 0.881 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.730 -12.523 1.118 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.470 -11.840 2.710 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.704 -13.728 3.009 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.457 -14.466 1.609 1.00 0.00 H new ATOM 282 N LEU A 24 0.129 -13.319 0.870 1.00 0.00 N ATOM 283 CA LEU A 24 -0.669 -14.185 0.010 1.00 0.00 C ATOM 284 C LEU A 24 -1.424 -13.370 -1.035 1.00 0.00 C ATOM 285 O LEU A 24 -1.563 -13.791 -2.185 1.00 0.00 O ATOM 286 CB LEU A 24 -1.657 -14.999 0.849 1.00 0.00 C ATOM 287 CG LEU A 24 -1.046 -15.870 1.947 1.00 0.00 C ATOM 288 CD1 LEU A 24 -2.137 -16.491 2.805 1.00 0.00 C ATOM 289 CD2 LEU A 24 -0.162 -16.951 1.341 1.00 0.00 C ATOM 0 H LEU A 24 -0.066 -13.418 1.866 1.00 0.00 H new ATOM 0 HA LEU A 24 0.008 -14.865 -0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.364 -14.310 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.229 -15.641 0.179 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.427 -15.237 2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.683 -17.107 3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.729 -15.702 3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.782 -17.110 2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.264 -17.561 2.137 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.758 -17.581 0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.642 -16.486 0.770 1.00 0.00 H new ATOM 301 N LEU A 25 -1.907 -12.201 -0.630 1.00 0.00 N ATOM 302 CA LEU A 25 -2.646 -11.324 -1.533 1.00 0.00 C ATOM 303 C LEU A 25 -1.753 -10.835 -2.668 1.00 0.00 C ATOM 304 O LEU A 25 -2.222 -10.197 -3.611 1.00 0.00 O ATOM 305 CB LEU A 25 -3.214 -10.130 -0.764 1.00 0.00 C ATOM 306 CG LEU A 25 -4.477 -10.399 0.055 1.00 0.00 C ATOM 307 CD1 LEU A 25 -4.655 -9.334 1.126 1.00 0.00 C ATOM 308 CD2 LEU A 25 -5.698 -10.455 -0.852 1.00 0.00 C ATOM 0 H LEU A 25 -1.801 -11.838 0.317 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.469 -11.895 -1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.442 -9.756 -0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.430 -9.334 -1.476 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.370 -11.366 0.547 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.559 -9.542 1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.793 -9.341 1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.741 -8.355 0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.588 -10.647 -0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.809 -9.503 -1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.573 -11.255 -1.582 1.00 0.00 H new ATOM 320 N PHE A 26 -0.462 -11.139 -2.573 1.00 0.00 N ATOM 321 CA PHE A 26 0.497 -10.731 -3.592 1.00 0.00 C ATOM 322 C PHE A 26 1.405 -11.894 -3.981 1.00 0.00 C ATOM 323 O PHE A 26 2.490 -12.061 -3.425 1.00 0.00 O ATOM 324 CB PHE A 26 1.339 -9.557 -3.090 1.00 0.00 C ATOM 325 CG PHE A 26 0.520 -8.399 -2.594 1.00 0.00 C ATOM 326 CD1 PHE A 26 0.004 -8.399 -1.309 1.00 0.00 C ATOM 327 CD2 PHE A 26 0.265 -7.312 -3.415 1.00 0.00 C ATOM 328 CE1 PHE A 26 -0.751 -7.335 -0.850 1.00 0.00 C ATOM 329 CE2 PHE A 26 -0.488 -6.246 -2.962 1.00 0.00 C ATOM 330 CZ PHE A 26 -0.997 -6.258 -1.678 1.00 0.00 C ATOM 0 H PHE A 26 -0.057 -11.667 -1.800 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.060 -10.417 -4.475 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.988 -9.904 -2.286 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.987 -9.214 -3.897 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.193 -9.239 -0.658 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.659 -7.298 -4.420 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.147 -7.347 0.155 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.678 -5.404 -3.611 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.587 -5.426 -1.322 1.00 0.00 H new ATOM 340 N ASP A 27 0.953 -12.695 -4.940 1.00 0.00 N ATOM 341 CA ASP A 27 1.724 -13.842 -5.404 1.00 0.00 C ATOM 342 C ASP A 27 2.409 -14.546 -4.236 1.00 0.00 C ATOM 343 O ASP A 27 3.432 -15.205 -4.410 1.00 0.00 O ATOM 344 CB ASP A 27 2.767 -13.400 -6.432 1.00 0.00 C ATOM 345 CG ASP A 27 2.147 -13.043 -7.769 1.00 0.00 C ATOM 346 OD1 ASP A 27 1.519 -11.967 -7.863 1.00 0.00 O ATOM 347 OD2 ASP A 27 2.291 -13.839 -8.720 1.00 0.00 O ATOM 0 H ASP A 27 0.057 -12.571 -5.411 1.00 0.00 H new ATOM 0 HA ASP A 27 1.036 -14.544 -5.875 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.311 -12.538 -6.046 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.494 -14.199 -6.574 1.00 0.00 H new ATOM 352 N GLY A 28 1.836 -14.399 -3.045 1.00 0.00 N ATOM 353 CA GLY A 28 2.405 -15.025 -1.866 1.00 0.00 C ATOM 354 C GLY A 28 3.915 -14.899 -1.815 1.00 0.00 C ATOM 355 O GLY A 28 4.634 -15.881 -1.997 1.00 0.00 O ATOM 0 H GLY A 28 0.988 -13.858 -2.876 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.975 -14.570 -0.974 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.131 -16.080 -1.850 1.00 0.00 H new ATOM 359 N VAL A 29 4.397 -13.685 -1.567 1.00 0.00 N ATOM 360 CA VAL A 29 5.832 -13.434 -1.492 1.00 0.00 C ATOM 361 C VAL A 29 6.153 -12.396 -0.423 1.00 0.00 C ATOM 362 O VAL A 29 5.328 -11.538 -0.106 1.00 0.00 O ATOM 363 CB VAL A 29 6.387 -12.949 -2.845 1.00 0.00 C ATOM 364 CG1 VAL A 29 7.866 -12.612 -2.725 1.00 0.00 C ATOM 365 CG2 VAL A 29 6.157 -13.999 -3.922 1.00 0.00 C ATOM 0 H VAL A 29 3.816 -12.861 -1.415 1.00 0.00 H new ATOM 0 HA VAL A 29 6.306 -14.380 -1.230 1.00 0.00 H new ATOM 0 HB VAL A 29 5.854 -12.043 -3.133 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.241 -12.271 -3.690 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.001 -11.824 -1.984 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.417 -13.499 -2.414 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.555 -13.640 -4.871 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.663 -14.923 -3.643 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.088 -14.187 -4.025 1.00 0.00 H new ATOM 375 N LYS A 30 7.357 -12.480 0.132 1.00 0.00 N ATOM 376 CA LYS A 30 7.790 -11.547 1.166 1.00 0.00 C ATOM 377 C LYS A 30 8.240 -10.225 0.553 1.00 0.00 C ATOM 378 O LYS A 30 7.765 -9.157 0.938 1.00 0.00 O ATOM 379 CB LYS A 30 8.931 -12.156 1.985 1.00 0.00 C ATOM 380 CG LYS A 30 8.632 -13.554 2.499 1.00 0.00 C ATOM 381 CD LYS A 30 9.908 -14.317 2.812 1.00 0.00 C ATOM 382 CE LYS A 30 9.631 -15.531 3.685 1.00 0.00 C ATOM 383 NZ LYS A 30 8.813 -16.551 2.972 1.00 0.00 N ATOM 0 H LYS A 30 8.051 -13.185 -0.117 1.00 0.00 H new ATOM 0 HA LYS A 30 6.942 -11.352 1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.831 -12.189 1.371 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.147 -11.505 2.832 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.016 -13.489 3.396 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.053 -14.101 1.754 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.380 -14.636 1.883 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.613 -13.657 3.317 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.575 -15.977 3.998 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.111 -15.217 4.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.646 -17.363 3.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.901 -16.134 2.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.320 -16.870 2.122 1.00 0.00 H new ATOM 397 N LYS A 31 9.158 -10.304 -0.405 1.00 0.00 N ATOM 398 CA LYS A 31 9.670 -9.114 -1.074 1.00 0.00 C ATOM 399 C LYS A 31 9.136 -9.019 -2.500 1.00 0.00 C ATOM 400 O LYS A 31 9.139 -10.002 -3.242 1.00 0.00 O ATOM 401 CB LYS A 31 11.200 -9.134 -1.093 1.00 0.00 C ATOM 402 CG LYS A 31 11.828 -8.899 0.271 1.00 0.00 C ATOM 403 CD LYS A 31 13.307 -9.248 0.271 1.00 0.00 C ATOM 404 CE LYS A 31 13.967 -8.877 1.590 1.00 0.00 C ATOM 405 NZ LYS A 31 14.268 -7.420 1.670 1.00 0.00 N ATOM 0 H LYS A 31 9.563 -11.180 -0.735 1.00 0.00 H new ATOM 0 HA LYS A 31 9.330 -8.240 -0.518 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.538 -10.096 -1.478 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.557 -8.371 -1.784 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.699 -7.855 0.557 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.311 -9.500 1.019 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.430 -10.316 0.089 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.805 -8.726 -0.546 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.313 -9.158 2.415 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.890 -9.445 1.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.717 -7.208 2.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.913 -7.156 0.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.385 -6.878 1.584 1.00 0.00 H new ATOM 419 N HIS A 32 8.678 -7.830 -2.877 1.00 0.00 N ATOM 420 CA HIS A 32 8.142 -7.607 -4.215 1.00 0.00 C ATOM 421 C HIS A 32 8.768 -6.370 -4.852 1.00 0.00 C ATOM 422 O HIS A 32 8.470 -5.241 -4.461 1.00 0.00 O ATOM 423 CB HIS A 32 6.622 -7.451 -4.159 1.00 0.00 C ATOM 424 CG HIS A 32 5.962 -8.366 -3.174 1.00 0.00 C ATOM 425 ND1 HIS A 32 5.223 -9.468 -3.548 1.00 0.00 N ATOM 426 CD2 HIS A 32 5.935 -8.338 -1.821 1.00 0.00 C ATOM 427 CE1 HIS A 32 4.768 -10.078 -2.468 1.00 0.00 C ATOM 428 NE2 HIS A 32 5.186 -9.413 -1.407 1.00 0.00 N ATOM 0 H HIS A 32 8.667 -7.006 -2.275 1.00 0.00 H new ATOM 0 HA HIS A 32 8.389 -8.474 -4.827 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.380 -6.420 -3.903 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.209 -7.639 -5.150 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.413 -7.607 -1.186 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.158 -10.969 -2.455 1.00 0.00 H new ATOM 0 HE2 HIS A 32 4.986 -9.658 -0.437 1.00 0.00 H new ATOM 437 N GLN A 33 9.637 -6.591 -5.833 1.00 0.00 N ATOM 438 CA GLN A 33 10.306 -5.493 -6.522 1.00 0.00 C ATOM 439 C GLN A 33 9.360 -4.808 -7.501 1.00 0.00 C ATOM 440 O GLN A 33 8.852 -5.434 -8.432 1.00 0.00 O ATOM 441 CB GLN A 33 11.542 -6.007 -7.263 1.00 0.00 C ATOM 442 CG GLN A 33 12.590 -6.618 -6.347 1.00 0.00 C ATOM 443 CD GLN A 33 13.960 -6.688 -6.993 1.00 0.00 C ATOM 444 OE1 GLN A 33 14.370 -7.736 -7.494 1.00 0.00 O ATOM 445 NE2 GLN A 33 14.676 -5.570 -6.986 1.00 0.00 N ATOM 0 H GLN A 33 9.894 -7.519 -6.169 1.00 0.00 H new ATOM 0 HA GLN A 33 10.616 -4.763 -5.774 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.232 -6.753 -7.995 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.992 -5.183 -7.817 1.00 0.00 H new ATOM 0 HG2 GLN A 33 12.654 -6.030 -5.431 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.276 -7.622 -6.060 1.00 0.00 H new ATOM 0 HE21 GLN A 33 14.297 -4.724 -6.560 1.00 0.00 H new ATOM 0 HE22 GLN A 33 15.605 -5.557 -7.407 1.00 0.00 H new ATOM 454 N VAL A 34 9.125 -3.517 -7.285 1.00 0.00 N ATOM 455 CA VAL A 34 8.240 -2.746 -8.149 1.00 0.00 C ATOM 456 C VAL A 34 9.018 -1.700 -8.940 1.00 0.00 C ATOM 457 O VAL A 34 9.960 -1.096 -8.429 1.00 0.00 O ATOM 458 CB VAL A 34 7.135 -2.044 -7.338 1.00 0.00 C ATOM 459 CG1 VAL A 34 6.076 -1.466 -8.265 1.00 0.00 C ATOM 460 CG2 VAL A 34 6.513 -3.008 -6.339 1.00 0.00 C ATOM 0 H VAL A 34 9.536 -2.984 -6.519 1.00 0.00 H new ATOM 0 HA VAL A 34 7.780 -3.452 -8.841 1.00 0.00 H new ATOM 0 HB VAL A 34 7.584 -1.221 -6.782 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.304 -0.974 -7.673 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.536 -0.741 -8.936 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.628 -2.269 -8.851 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.734 -2.495 -5.775 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.078 -3.853 -6.872 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.281 -3.367 -5.654 1.00 0.00 H new ATOM 470 N ALA A 35 8.615 -1.490 -10.189 1.00 0.00 N ATOM 471 CA ALA A 35 9.273 -0.515 -11.050 1.00 0.00 C ATOM 472 C ALA A 35 8.259 0.436 -11.677 1.00 0.00 C ATOM 473 O ALA A 35 7.735 0.175 -12.760 1.00 0.00 O ATOM 474 CB ALA A 35 10.075 -1.223 -12.132 1.00 0.00 C ATOM 0 H ALA A 35 7.836 -1.982 -10.627 1.00 0.00 H new ATOM 0 HA ALA A 35 9.954 0.075 -10.436 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.561 -0.483 -12.768 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.832 -1.856 -11.669 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.408 -1.838 -12.736 1.00 0.00 H new ATOM 480 N LEU A 36 7.986 1.539 -10.989 1.00 0.00 N ATOM 481 CA LEU A 36 7.033 2.529 -11.478 1.00 0.00 C ATOM 482 C LEU A 36 7.552 3.205 -12.744 1.00 0.00 C ATOM 483 O LEU A 36 8.756 3.381 -12.934 1.00 0.00 O ATOM 484 CB LEU A 36 6.760 3.580 -10.400 1.00 0.00 C ATOM 485 CG LEU A 36 6.518 3.045 -8.989 1.00 0.00 C ATOM 486 CD1 LEU A 36 6.710 4.149 -7.960 1.00 0.00 C ATOM 487 CD2 LEU A 36 5.123 2.447 -8.877 1.00 0.00 C ATOM 0 H LEU A 36 8.411 1.770 -10.091 1.00 0.00 H new ATOM 0 HA LEU A 36 6.103 2.014 -11.718 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.606 4.266 -10.367 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.889 4.162 -10.701 1.00 0.00 H new ATOM 0 HG LEU A 36 7.246 2.259 -8.789 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.534 3.750 -6.961 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.728 4.532 -8.023 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.006 4.957 -8.158 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.968 2.071 -7.866 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.380 3.213 -9.097 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.020 1.627 -9.588 1.00 0.00 H new ATOM 499 N PRO A 37 6.624 3.597 -13.629 1.00 0.00 N ATOM 500 CA PRO A 37 6.963 4.262 -14.890 1.00 0.00 C ATOM 501 C PRO A 37 7.494 5.675 -14.675 1.00 0.00 C ATOM 502 O PRO A 37 7.650 6.125 -13.540 1.00 0.00 O ATOM 503 CB PRO A 37 5.630 4.301 -15.641 1.00 0.00 C ATOM 504 CG PRO A 37 4.592 4.258 -14.573 1.00 0.00 C ATOM 505 CD PRO A 37 5.171 3.420 -13.467 1.00 0.00 C ATOM 0 HA PRO A 37 7.755 3.739 -15.426 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.541 5.205 -16.243 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.534 3.455 -16.321 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.354 5.261 -14.219 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.665 3.824 -14.947 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.832 3.758 -12.488 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.881 2.374 -13.562 1.00 0.00 H new ATOM 513 N GLY A 38 7.772 6.372 -15.773 1.00 0.00 N ATOM 514 CA GLY A 38 8.283 7.728 -15.682 1.00 0.00 C ATOM 515 C GLY A 38 7.307 8.753 -16.225 1.00 0.00 C ATOM 516 O GLY A 38 6.692 8.540 -17.270 1.00 0.00 O ATOM 0 H GLY A 38 7.653 6.022 -16.724 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.506 7.960 -14.641 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.221 7.797 -16.232 1.00 0.00 H new ATOM 520 N GLN A 39 7.164 9.866 -15.514 1.00 0.00 N ATOM 521 CA GLN A 39 6.253 10.926 -15.931 1.00 0.00 C ATOM 522 C GLN A 39 6.628 12.253 -15.278 1.00 0.00 C ATOM 523 O GLN A 39 7.511 12.307 -14.423 1.00 0.00 O ATOM 524 CB GLN A 39 4.812 10.559 -15.575 1.00 0.00 C ATOM 525 CG GLN A 39 4.664 9.948 -14.191 1.00 0.00 C ATOM 526 CD GLN A 39 3.243 10.024 -13.668 1.00 0.00 C ATOM 527 OE1 GLN A 39 2.314 10.353 -14.407 1.00 0.00 O ATOM 528 NE2 GLN A 39 3.065 9.719 -12.388 1.00 0.00 N ATOM 0 H GLN A 39 7.666 10.058 -14.647 1.00 0.00 H new ATOM 0 HA GLN A 39 6.335 11.037 -17.012 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.192 11.454 -15.636 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.431 9.856 -16.316 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.980 8.905 -14.223 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.330 10.462 -13.498 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.863 9.452 -11.812 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.130 9.752 -11.981 1.00 0.00 H new ATOM 537 N GLU A 40 5.952 13.321 -15.689 1.00 0.00 N ATOM 538 CA GLU A 40 6.215 14.648 -15.145 1.00 0.00 C ATOM 539 C GLU A 40 5.891 14.699 -13.655 1.00 0.00 C ATOM 540 O GLU A 40 6.523 15.434 -12.897 1.00 0.00 O ATOM 541 CB GLU A 40 5.396 15.702 -15.893 1.00 0.00 C ATOM 542 CG GLU A 40 3.900 15.590 -15.657 1.00 0.00 C ATOM 543 CD GLU A 40 3.164 16.883 -15.952 1.00 0.00 C ATOM 544 OE1 GLU A 40 3.122 17.759 -15.063 1.00 0.00 O ATOM 545 OE2 GLU A 40 2.630 17.018 -17.073 1.00 0.00 O ATOM 0 H GLU A 40 5.218 13.293 -16.397 1.00 0.00 H new ATOM 0 HA GLU A 40 7.276 14.863 -15.276 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.730 16.694 -15.588 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.594 15.613 -16.961 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.496 14.795 -16.284 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.720 15.302 -14.621 1.00 0.00 H new ATOM 552 N GLU A 41 4.901 13.913 -13.243 1.00 0.00 N ATOM 553 CA GLU A 41 4.492 13.869 -11.844 1.00 0.00 C ATOM 554 C GLU A 41 5.156 12.702 -11.119 1.00 0.00 C ATOM 555 O GLU A 41 5.189 11.573 -11.608 1.00 0.00 O ATOM 556 CB GLU A 41 2.971 13.751 -11.738 1.00 0.00 C ATOM 557 CG GLU A 41 2.242 15.069 -11.936 1.00 0.00 C ATOM 558 CD GLU A 41 0.829 14.883 -12.455 1.00 0.00 C ATOM 559 OE1 GLU A 41 0.672 14.346 -13.571 1.00 0.00 O ATOM 560 OE2 GLU A 41 -0.119 15.275 -11.743 1.00 0.00 O ATOM 0 H GLU A 41 4.368 13.298 -13.858 1.00 0.00 H new ATOM 0 HA GLU A 41 4.811 14.797 -11.370 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.618 13.035 -12.481 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.714 13.347 -10.759 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.209 15.607 -10.989 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.803 15.689 -12.635 1.00 0.00 H new ATOM 567 N PRO A 42 5.699 12.980 -9.925 1.00 0.00 N ATOM 568 CA PRO A 42 6.373 11.967 -9.106 1.00 0.00 C ATOM 569 C PRO A 42 5.399 10.943 -8.534 1.00 0.00 C ATOM 570 O PRO A 42 4.295 11.290 -8.113 1.00 0.00 O ATOM 571 CB PRO A 42 7.009 12.786 -7.981 1.00 0.00 C ATOM 572 CG PRO A 42 6.169 14.013 -7.883 1.00 0.00 C ATOM 573 CD PRO A 42 5.698 14.304 -9.281 1.00 0.00 C ATOM 0 HA PRO A 42 7.090 11.385 -9.686 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.012 12.233 -7.042 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.046 13.033 -8.209 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.325 13.856 -7.211 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.743 14.848 -7.483 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.704 14.752 -9.285 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.363 15.000 -9.792 1.00 0.00 H new ATOM 581 N TRP A 43 5.813 9.681 -8.523 1.00 0.00 N ATOM 582 CA TRP A 43 4.977 8.606 -8.002 1.00 0.00 C ATOM 583 C TRP A 43 4.796 8.739 -6.494 1.00 0.00 C ATOM 584 O TRP A 43 5.675 8.363 -5.719 1.00 0.00 O ATOM 585 CB TRP A 43 5.591 7.246 -8.337 1.00 0.00 C ATOM 586 CG TRP A 43 5.137 6.697 -9.655 1.00 0.00 C ATOM 587 CD1 TRP A 43 5.794 6.783 -10.849 1.00 0.00 C ATOM 588 CD2 TRP A 43 3.925 5.980 -9.913 1.00 0.00 C ATOM 589 NE1 TRP A 43 5.064 6.162 -11.834 1.00 0.00 N ATOM 590 CE2 TRP A 43 3.914 5.661 -11.285 1.00 0.00 C ATOM 591 CE3 TRP A 43 2.850 5.574 -9.119 1.00 0.00 C ATOM 592 CZ2 TRP A 43 2.868 4.956 -11.877 1.00 0.00 C ATOM 593 CZ3 TRP A 43 1.813 4.875 -9.707 1.00 0.00 C ATOM 594 CH2 TRP A 43 1.828 4.572 -11.075 1.00 0.00 C ATOM 0 H TRP A 43 6.723 9.377 -8.869 1.00 0.00 H new ATOM 0 HA TRP A 43 3.997 8.680 -8.474 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.677 7.338 -8.345 1.00 0.00 H new ATOM 0 HB3 TRP A 43 5.337 6.537 -7.549 1.00 0.00 H new ATOM 0 HD1 TRP A 43 6.748 7.268 -10.998 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.335 6.087 -12.814 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.830 5.802 -8.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.878 4.721 -12.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.977 4.557 -9.102 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.002 4.024 -11.505 1.00 0.00 H new ATOM 605 N ASP A 44 3.652 9.276 -6.085 1.00 0.00 N ATOM 606 CA ASP A 44 3.355 9.457 -4.669 1.00 0.00 C ATOM 607 C ASP A 44 2.581 8.264 -4.118 1.00 0.00 C ATOM 608 O ASP A 44 1.943 7.525 -4.870 1.00 0.00 O ATOM 609 CB ASP A 44 2.556 10.743 -4.453 1.00 0.00 C ATOM 610 CG ASP A 44 3.015 11.869 -5.358 1.00 0.00 C ATOM 611 OD1 ASP A 44 4.205 11.877 -5.737 1.00 0.00 O ATOM 612 OD2 ASP A 44 2.186 12.743 -5.686 1.00 0.00 O ATOM 0 H ASP A 44 2.915 9.594 -6.714 1.00 0.00 H new ATOM 0 HA ASP A 44 4.301 9.532 -4.133 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.499 10.545 -4.632 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.650 11.055 -3.413 1.00 0.00 H new ATOM 617 N ILE A 45 2.642 8.080 -2.804 1.00 0.00 N ATOM 618 CA ILE A 45 1.947 6.976 -2.154 1.00 0.00 C ATOM 619 C ILE A 45 0.567 6.759 -2.766 1.00 0.00 C ATOM 620 O ILE A 45 0.305 5.725 -3.380 1.00 0.00 O ATOM 621 CB ILE A 45 1.792 7.221 -0.641 1.00 0.00 C ATOM 622 CG1 ILE A 45 3.163 7.417 0.009 1.00 0.00 C ATOM 623 CG2 ILE A 45 1.051 6.063 0.010 1.00 0.00 C ATOM 624 CD1 ILE A 45 4.042 6.187 -0.054 1.00 0.00 C ATOM 0 H ILE A 45 3.166 8.681 -2.168 1.00 0.00 H new ATOM 0 HA ILE A 45 2.555 6.085 -2.309 1.00 0.00 H new ATOM 0 HB ILE A 45 1.208 8.129 -0.493 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.674 8.245 -0.482 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.024 7.702 1.052 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.949 6.251 1.079 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.062 5.967 -0.437 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.610 5.140 -0.145 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.998 6.398 0.425 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.551 5.362 0.463 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.211 5.914 -1.096 1.00 0.00 H new ATOM 636 N ARG A 46 -0.311 7.742 -2.596 1.00 0.00 N ATOM 637 CA ARG A 46 -1.664 7.659 -3.132 1.00 0.00 C ATOM 638 C ARG A 46 -1.671 6.950 -4.483 1.00 0.00 C ATOM 639 O ARG A 46 -2.429 6.005 -4.696 1.00 0.00 O ATOM 640 CB ARG A 46 -2.266 9.058 -3.275 1.00 0.00 C ATOM 641 CG ARG A 46 -1.415 10.005 -4.105 1.00 0.00 C ATOM 642 CD ARG A 46 -1.877 11.446 -3.956 1.00 0.00 C ATOM 643 NE ARG A 46 -2.968 11.769 -4.872 1.00 0.00 N ATOM 644 CZ ARG A 46 -3.791 12.797 -4.701 1.00 0.00 C ATOM 645 NH1 ARG A 46 -3.648 13.599 -3.655 1.00 0.00 N ATOM 646 NH2 ARG A 46 -4.760 13.026 -5.579 1.00 0.00 N ATOM 0 H ARG A 46 -0.109 8.605 -2.091 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.269 7.080 -2.434 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.252 8.975 -3.731 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.409 9.486 -2.283 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.372 9.923 -3.798 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.462 9.713 -5.154 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.202 11.618 -2.930 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.038 12.117 -4.141 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.105 11.172 -5.688 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.904 13.427 -2.979 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.282 14.388 -3.527 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.873 12.412 -6.386 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.392 13.816 -5.447 1.00 0.00 H new ATOM 660 N ASN A 47 -0.821 7.415 -5.394 1.00 0.00 N ATOM 661 CA ASN A 47 -0.730 6.827 -6.725 1.00 0.00 C ATOM 662 C ASN A 47 -0.266 5.376 -6.648 1.00 0.00 C ATOM 663 O ASN A 47 -0.942 4.469 -7.137 1.00 0.00 O ATOM 664 CB ASN A 47 0.231 7.636 -7.598 1.00 0.00 C ATOM 665 CG ASN A 47 -0.236 9.064 -7.802 1.00 0.00 C ATOM 666 OD1 ASN A 47 -1.113 9.331 -8.623 1.00 0.00 O ATOM 667 ND2 ASN A 47 0.351 9.991 -7.054 1.00 0.00 N ATOM 0 H ASN A 47 -0.186 8.197 -5.234 1.00 0.00 H new ATOM 0 HA ASN A 47 -1.723 6.849 -7.173 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.219 7.642 -7.137 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.335 7.149 -8.567 1.00 0.00 H new ATOM 0 HD21 ASN A 47 0.079 10.970 -7.148 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.074 9.724 -6.386 1.00 0.00 H new ATOM 674 N LEU A 48 0.890 5.163 -6.030 1.00 0.00 N ATOM 675 CA LEU A 48 1.446 3.821 -5.887 1.00 0.00 C ATOM 676 C LEU A 48 0.363 2.824 -5.486 1.00 0.00 C ATOM 677 O LEU A 48 0.170 1.802 -6.148 1.00 0.00 O ATOM 678 CB LEU A 48 2.567 3.820 -4.846 1.00 0.00 C ATOM 679 CG LEU A 48 3.305 2.495 -4.657 1.00 0.00 C ATOM 680 CD1 LEU A 48 4.492 2.405 -5.603 1.00 0.00 C ATOM 681 CD2 LEU A 48 3.759 2.339 -3.213 1.00 0.00 C ATOM 0 H LEU A 48 1.461 5.902 -5.620 1.00 0.00 H new ATOM 0 HA LEU A 48 1.854 3.518 -6.851 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.295 4.582 -5.124 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.145 4.118 -3.886 1.00 0.00 H new ATOM 0 HG LEU A 48 2.618 1.682 -4.891 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.005 1.455 -5.454 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.142 2.471 -6.633 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.181 3.225 -5.401 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.283 1.390 -3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.429 3.158 -2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.891 2.357 -2.555 1.00 0.00 H new ATOM 693 N LEU A 49 -0.341 3.127 -4.402 1.00 0.00 N ATOM 694 CA LEU A 49 -1.406 2.258 -3.914 1.00 0.00 C ATOM 695 C LEU A 49 -2.151 1.606 -5.074 1.00 0.00 C ATOM 696 O LEU A 49 -1.996 0.412 -5.333 1.00 0.00 O ATOM 697 CB LEU A 49 -2.384 3.054 -3.047 1.00 0.00 C ATOM 698 CG LEU A 49 -2.082 3.083 -1.549 1.00 0.00 C ATOM 699 CD1 LEU A 49 -1.740 1.689 -1.046 1.00 0.00 C ATOM 700 CD2 LEU A 49 -0.948 4.053 -1.252 1.00 0.00 C ATOM 0 H LEU A 49 -0.194 3.968 -3.844 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.952 1.472 -3.310 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.409 4.081 -3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.383 2.641 -3.188 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.974 3.427 -1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.528 1.730 0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.583 1.021 -1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.864 1.316 -1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.747 4.061 -0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.052 3.740 -1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.232 5.055 -1.575 1.00 0.00 H new ATOM 712 N VAL A 50 -2.960 2.398 -5.771 1.00 0.00 N ATOM 713 CA VAL A 50 -3.727 1.899 -6.906 1.00 0.00 C ATOM 714 C VAL A 50 -2.954 0.824 -7.661 1.00 0.00 C ATOM 715 O VAL A 50 -3.449 -0.286 -7.861 1.00 0.00 O ATOM 716 CB VAL A 50 -4.091 3.035 -7.880 1.00 0.00 C ATOM 717 CG1 VAL A 50 -4.868 2.490 -9.069 1.00 0.00 C ATOM 718 CG2 VAL A 50 -4.885 4.116 -7.164 1.00 0.00 C ATOM 0 H VAL A 50 -3.101 3.388 -5.569 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.644 1.468 -6.504 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.169 3.481 -8.253 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.117 3.307 -9.746 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.259 1.755 -9.595 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.786 2.017 -8.718 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.134 4.911 -7.867 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.803 3.687 -6.762 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.288 4.526 -6.349 1.00 0.00 H new ATOM 728 N TRP A 51 -1.740 1.160 -8.079 1.00 0.00 N ATOM 729 CA TRP A 51 -0.897 0.223 -8.813 1.00 0.00 C ATOM 730 C TRP A 51 -0.759 -1.093 -8.056 1.00 0.00 C ATOM 731 O TRP A 51 -1.139 -2.152 -8.557 1.00 0.00 O ATOM 732 CB TRP A 51 0.484 0.831 -9.059 1.00 0.00 C ATOM 733 CG TRP A 51 1.322 0.037 -10.015 1.00 0.00 C ATOM 734 CD1 TRP A 51 1.509 0.289 -11.345 1.00 0.00 C ATOM 735 CD2 TRP A 51 2.083 -1.138 -9.716 1.00 0.00 C ATOM 736 NE1 TRP A 51 2.341 -0.659 -11.890 1.00 0.00 N ATOM 737 CE2 TRP A 51 2.707 -1.545 -10.912 1.00 0.00 C ATOM 738 CE3 TRP A 51 2.299 -1.884 -8.555 1.00 0.00 C ATOM 739 CZ2 TRP A 51 3.531 -2.666 -10.976 1.00 0.00 C ATOM 740 CZ3 TRP A 51 3.117 -2.997 -8.621 1.00 0.00 C ATOM 741 CH2 TRP A 51 3.726 -3.378 -9.824 1.00 0.00 C ATOM 0 H TRP A 51 -1.316 2.075 -7.922 1.00 0.00 H new ATOM 0 HA TRP A 51 -1.373 0.021 -9.773 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.364 1.843 -9.447 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.011 0.914 -8.108 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.068 1.112 -11.888 1.00 0.00 H new ATOM 0 HE1 TRP A 51 2.638 -0.697 -12.865 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.836 -1.597 -7.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.000 -2.963 -11.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.289 -3.583 -7.730 1.00 0.00 H new ATOM 0 HH2 TRP A 51 4.362 -4.251 -9.842 1.00 0.00 H new ATOM 752 N ILE A 52 -0.213 -1.020 -6.846 1.00 0.00 N ATOM 753 CA ILE A 52 -0.027 -2.207 -6.020 1.00 0.00 C ATOM 754 C ILE A 52 -1.358 -2.899 -5.744 1.00 0.00 C ATOM 755 O ILE A 52 -1.400 -4.096 -5.459 1.00 0.00 O ATOM 756 CB ILE A 52 0.646 -1.859 -4.679 1.00 0.00 C ATOM 757 CG1 ILE A 52 1.881 -0.987 -4.915 1.00 0.00 C ATOM 758 CG2 ILE A 52 1.023 -3.129 -3.930 1.00 0.00 C ATOM 759 CD1 ILE A 52 2.698 -0.745 -3.665 1.00 0.00 C ATOM 0 H ILE A 52 0.108 -0.152 -6.417 1.00 0.00 H new ATOM 0 HA ILE A 52 0.621 -2.882 -6.578 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.061 -1.297 -4.069 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.513 -1.462 -5.666 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.565 -0.027 -5.324 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.498 -2.866 -2.984 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.126 -3.716 -3.735 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.716 -3.715 -4.533 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.557 -0.120 -3.907 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.082 -0.242 -2.919 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.044 -1.699 -3.266 1.00 0.00 H new ATOM 771 N LYS A 53 -2.443 -2.138 -5.831 1.00 0.00 N ATOM 772 CA LYS A 53 -3.777 -2.676 -5.594 1.00 0.00 C ATOM 773 C LYS A 53 -4.280 -3.441 -6.814 1.00 0.00 C ATOM 774 O LYS A 53 -5.239 -4.208 -6.727 1.00 0.00 O ATOM 775 CB LYS A 53 -4.752 -1.548 -5.248 1.00 0.00 C ATOM 776 CG LYS A 53 -4.818 -1.234 -3.764 1.00 0.00 C ATOM 777 CD LYS A 53 -5.607 0.036 -3.497 1.00 0.00 C ATOM 778 CE LYS A 53 -7.106 -0.214 -3.564 1.00 0.00 C ATOM 779 NZ LYS A 53 -7.639 -0.027 -4.942 1.00 0.00 N ATOM 0 H LYS A 53 -2.425 -1.145 -6.064 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.718 -3.367 -4.753 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.459 -0.648 -5.788 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.748 -1.820 -5.598 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.279 -2.068 -3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.808 -1.126 -3.369 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.346 0.428 -2.514 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.331 0.797 -4.227 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.320 -1.228 -3.226 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.618 0.464 -2.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.381 0.701 -4.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.869 0.272 -5.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.039 -0.924 -5.284 1.00 0.00 H new ATOM 793 N LYS A 54 -3.626 -3.228 -7.951 1.00 0.00 N ATOM 794 CA LYS A 54 -4.004 -3.899 -9.189 1.00 0.00 C ATOM 795 C LYS A 54 -2.825 -4.671 -9.772 1.00 0.00 C ATOM 796 O LYS A 54 -2.827 -5.900 -9.798 1.00 0.00 O ATOM 797 CB LYS A 54 -4.516 -2.880 -10.209 1.00 0.00 C ATOM 798 CG LYS A 54 -5.805 -2.194 -9.790 1.00 0.00 C ATOM 799 CD LYS A 54 -6.644 -1.800 -10.994 1.00 0.00 C ATOM 800 CE LYS A 54 -7.732 -0.808 -10.615 1.00 0.00 C ATOM 801 NZ LYS A 54 -8.972 -1.494 -10.155 1.00 0.00 N ATOM 0 H LYS A 54 -2.831 -2.595 -8.041 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.801 -4.607 -8.961 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.748 -2.124 -10.371 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.675 -3.382 -11.163 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.380 -2.860 -9.147 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.571 -1.306 -9.202 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.002 -1.363 -11.759 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.098 -2.690 -11.430 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.366 -0.151 -9.826 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.963 -0.177 -11.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.690 -0.784 -9.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.336 -2.101 -10.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.757 -2.077 -9.321 1.00 0.00 H new ATOM 815 N ASN A 55 -1.818 -3.939 -10.238 1.00 0.00 N ATOM 816 CA ASN A 55 -0.631 -4.555 -10.820 1.00 0.00 C ATOM 817 C ASN A 55 -0.141 -5.714 -9.957 1.00 0.00 C ATOM 818 O ASN A 55 -0.131 -6.866 -10.394 1.00 0.00 O ATOM 819 CB ASN A 55 0.482 -3.517 -10.979 1.00 0.00 C ATOM 820 CG ASN A 55 0.396 -2.775 -12.299 1.00 0.00 C ATOM 821 OD1 ASN A 55 -0.417 -1.726 -12.335 1.00 0.00 O flip ATOM 822 ND2 ASN A 55 1.053 -3.141 -13.273 1.00 0.00 N flip ATOM 0 H ASN A 55 -1.800 -2.919 -10.224 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.899 -4.944 -11.802 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.428 -2.801 -10.159 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.450 -4.012 -10.906 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.665 -3.953 -13.199 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.985 -2.632 -14.154 1.00 0.00 H new ATOM 829 N LEU A 56 0.264 -5.402 -8.731 1.00 0.00 N ATOM 830 CA LEU A 56 0.754 -6.418 -7.806 1.00 0.00 C ATOM 831 C LEU A 56 -0.394 -7.267 -7.271 1.00 0.00 C ATOM 832 O LEU A 56 -0.457 -8.472 -7.519 1.00 0.00 O ATOM 833 CB LEU A 56 1.501 -5.759 -6.644 1.00 0.00 C ATOM 834 CG LEU A 56 2.637 -6.576 -6.028 1.00 0.00 C ATOM 835 CD1 LEU A 56 3.889 -6.481 -6.886 1.00 0.00 C ATOM 836 CD2 LEU A 56 2.924 -6.105 -4.610 1.00 0.00 C ATOM 0 H LEU A 56 0.263 -4.454 -8.354 1.00 0.00 H new ATOM 0 HA LEU A 56 1.439 -7.069 -8.349 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.910 -4.810 -6.992 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.780 -5.527 -5.860 1.00 0.00 H new ATOM 0 HG LEU A 56 2.327 -7.620 -5.988 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.687 -7.069 -6.432 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.677 -6.867 -7.883 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.202 -5.439 -6.959 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.735 -6.698 -4.187 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.213 -5.054 -4.627 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.030 -6.225 -3.999 1.00 0.00 H new ATOM 848 N LEU A 57 -1.301 -6.632 -6.538 1.00 0.00 N ATOM 849 CA LEU A 57 -2.450 -7.329 -5.969 1.00 0.00 C ATOM 850 C LEU A 57 -3.408 -7.784 -7.065 1.00 0.00 C ATOM 851 O LEU A 57 -3.945 -6.967 -7.814 1.00 0.00 O ATOM 852 CB LEU A 57 -3.183 -6.421 -4.979 1.00 0.00 C ATOM 853 CG LEU A 57 -4.514 -6.949 -4.444 1.00 0.00 C ATOM 854 CD1 LEU A 57 -4.297 -7.758 -3.175 1.00 0.00 C ATOM 855 CD2 LEU A 57 -5.479 -5.801 -4.188 1.00 0.00 C ATOM 0 H LEU A 57 -1.264 -5.636 -6.323 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.085 -8.211 -5.442 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.523 -6.232 -4.132 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.364 -5.461 -5.462 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.951 -7.604 -5.197 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.256 -8.125 -2.809 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.643 -8.603 -3.390 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.837 -7.126 -2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.421 -6.196 -3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.048 -5.120 -3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.660 -5.264 -5.119 1.00 0.00 H new ATOM 867 N LYS A 58 -3.620 -9.092 -7.153 1.00 0.00 N ATOM 868 CA LYS A 58 -4.516 -9.658 -8.154 1.00 0.00 C ATOM 869 C LYS A 58 -5.892 -9.938 -7.557 1.00 0.00 C ATOM 870 O LYS A 58 -6.893 -9.967 -8.271 1.00 0.00 O ATOM 871 CB LYS A 58 -3.925 -10.947 -8.728 1.00 0.00 C ATOM 872 CG LYS A 58 -2.662 -10.727 -9.544 1.00 0.00 C ATOM 873 CD LYS A 58 -2.969 -10.072 -10.880 1.00 0.00 C ATOM 874 CE LYS A 58 -1.723 -9.455 -11.497 1.00 0.00 C ATOM 875 NZ LYS A 58 -0.765 -10.493 -11.968 1.00 0.00 N ATOM 0 H LYS A 58 -3.183 -9.782 -6.542 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.629 -8.929 -8.957 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.704 -11.631 -7.909 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.673 -11.432 -9.355 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.969 -10.101 -8.982 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.165 -11.682 -9.712 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.386 -10.813 -11.562 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.728 -9.302 -10.743 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.009 -8.819 -12.334 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.233 -8.815 -10.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.070 -10.032 -12.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.472 -11.085 -11.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.224 -11.088 -12.687 1.00 0.00 H new ATOM 889 N GLU A 59 -5.931 -10.142 -6.244 1.00 0.00 N ATOM 890 CA GLU A 59 -7.185 -10.420 -5.553 1.00 0.00 C ATOM 891 C GLU A 59 -7.990 -9.139 -5.351 1.00 0.00 C ATOM 892 O GLU A 59 -7.590 -8.065 -5.800 1.00 0.00 O ATOM 893 CB GLU A 59 -6.912 -11.082 -4.201 1.00 0.00 C ATOM 894 CG GLU A 59 -6.336 -12.484 -4.315 1.00 0.00 C ATOM 895 CD GLU A 59 -7.133 -13.367 -5.256 1.00 0.00 C ATOM 896 OE1 GLU A 59 -8.211 -13.847 -4.847 1.00 0.00 O ATOM 897 OE2 GLU A 59 -6.679 -13.577 -6.400 1.00 0.00 O ATOM 0 H GLU A 59 -5.111 -10.120 -5.638 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.768 -11.102 -6.172 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.220 -10.459 -3.634 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.841 -11.125 -3.633 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.306 -12.422 -4.666 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.309 -12.943 -3.327 1.00 0.00 H new ATOM 904 N ARG A 60 -9.126 -9.262 -4.673 1.00 0.00 N ATOM 905 CA ARG A 60 -9.988 -8.116 -4.412 1.00 0.00 C ATOM 906 C ARG A 60 -9.236 -7.032 -3.645 1.00 0.00 C ATOM 907 O ARG A 60 -8.624 -7.284 -2.606 1.00 0.00 O ATOM 908 CB ARG A 60 -11.225 -8.549 -3.623 1.00 0.00 C ATOM 909 CG ARG A 60 -12.452 -8.776 -4.490 1.00 0.00 C ATOM 910 CD ARG A 60 -12.077 -9.352 -5.847 1.00 0.00 C ATOM 911 NE ARG A 60 -11.056 -10.391 -5.737 1.00 0.00 N ATOM 912 CZ ARG A 60 -11.304 -11.621 -5.304 1.00 0.00 C ATOM 913 NH1 ARG A 60 -12.532 -11.966 -4.941 1.00 0.00 N ATOM 914 NH2 ARG A 60 -10.322 -12.511 -5.232 1.00 0.00 N ATOM 0 H ARG A 60 -9.471 -10.144 -4.294 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.303 -7.706 -5.371 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.997 -9.468 -3.083 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.454 -7.788 -2.876 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -13.137 -9.455 -3.982 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.981 -7.833 -4.627 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -12.966 -9.766 -6.323 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.713 -8.553 -6.492 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.100 -10.159 -6.008 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.290 -11.285 -4.994 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -12.719 -12.912 -4.609 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -9.376 -12.250 -5.510 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -10.514 -13.456 -4.899 1.00 0.00 H new ATOM 928 N PRO A 61 -9.280 -5.798 -4.167 1.00 0.00 N ATOM 929 CA PRO A 61 -8.608 -4.652 -3.547 1.00 0.00 C ATOM 930 C PRO A 61 -9.270 -4.229 -2.240 1.00 0.00 C ATOM 931 O PRO A 61 -8.604 -4.081 -1.217 1.00 0.00 O ATOM 932 CB PRO A 61 -8.747 -3.548 -4.599 1.00 0.00 C ATOM 933 CG PRO A 61 -9.957 -3.922 -5.383 1.00 0.00 C ATOM 934 CD PRO A 61 -9.990 -5.425 -5.402 1.00 0.00 C ATOM 0 HA PRO A 61 -7.576 -4.879 -3.282 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.864 -2.570 -4.133 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.864 -3.494 -5.236 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.859 -3.518 -4.924 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.906 -3.520 -6.395 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -11.012 -5.804 -5.408 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.496 -5.827 -6.287 1.00 0.00 H new ATOM 942 N GLU A 62 -10.585 -4.036 -2.283 1.00 0.00 N ATOM 943 CA GLU A 62 -11.336 -3.630 -1.101 1.00 0.00 C ATOM 944 C GLU A 62 -10.901 -4.432 0.122 1.00 0.00 C ATOM 945 O GLU A 62 -10.868 -3.914 1.239 1.00 0.00 O ATOM 946 CB GLU A 62 -12.837 -3.811 -1.336 1.00 0.00 C ATOM 947 CG GLU A 62 -13.216 -5.206 -1.805 1.00 0.00 C ATOM 948 CD GLU A 62 -14.707 -5.361 -2.028 1.00 0.00 C ATOM 949 OE1 GLU A 62 -15.190 -4.958 -3.108 1.00 0.00 O ATOM 950 OE2 GLU A 62 -15.392 -5.884 -1.125 1.00 0.00 O ATOM 0 H GLU A 62 -11.151 -4.154 -3.123 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.129 -2.576 -0.915 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.370 -3.590 -0.411 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.170 -3.085 -2.077 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.689 -5.429 -2.732 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.885 -5.936 -1.066 1.00 0.00 H new ATOM 957 N LEU A 63 -10.568 -5.699 -0.097 1.00 0.00 N ATOM 958 CA LEU A 63 -10.135 -6.575 0.987 1.00 0.00 C ATOM 959 C LEU A 63 -8.854 -6.054 1.629 1.00 0.00 C ATOM 960 O LEU A 63 -8.774 -5.907 2.849 1.00 0.00 O ATOM 961 CB LEU A 63 -9.916 -7.996 0.464 1.00 0.00 C ATOM 962 CG LEU A 63 -11.131 -8.923 0.509 1.00 0.00 C ATOM 963 CD1 LEU A 63 -12.383 -8.184 0.062 1.00 0.00 C ATOM 964 CD2 LEU A 63 -10.897 -10.152 -0.357 1.00 0.00 C ATOM 0 H LEU A 63 -10.589 -6.143 -1.015 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.919 -6.590 1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.571 -7.933 -0.568 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.113 -8.454 1.041 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.276 -9.251 1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.238 -8.860 0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -12.561 -7.336 0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.249 -7.826 -0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.772 -10.800 -0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.726 -9.843 -1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.025 -10.694 0.009 1.00 0.00 H new ATOM 976 N PHE A 64 -7.854 -5.774 0.800 1.00 0.00 N ATOM 977 CA PHE A 64 -6.576 -5.268 1.287 1.00 0.00 C ATOM 978 C PHE A 64 -6.647 -3.765 1.541 1.00 0.00 C ATOM 979 O PHE A 64 -6.475 -3.306 2.671 1.00 0.00 O ATOM 980 CB PHE A 64 -5.465 -5.574 0.281 1.00 0.00 C ATOM 981 CG PHE A 64 -4.085 -5.309 0.812 1.00 0.00 C ATOM 982 CD1 PHE A 64 -3.639 -5.938 1.963 1.00 0.00 C ATOM 983 CD2 PHE A 64 -3.234 -4.432 0.160 1.00 0.00 C ATOM 984 CE1 PHE A 64 -2.370 -5.695 2.454 1.00 0.00 C ATOM 985 CE2 PHE A 64 -1.964 -4.185 0.646 1.00 0.00 C ATOM 986 CZ PHE A 64 -1.531 -4.819 1.794 1.00 0.00 C ATOM 0 H PHE A 64 -7.904 -5.889 -0.212 1.00 0.00 H new ATOM 0 HA PHE A 64 -6.351 -5.768 2.229 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -5.535 -6.620 -0.019 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.622 -4.974 -0.615 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.290 -6.626 2.482 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.567 -3.935 -0.739 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.035 -6.190 3.353 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.311 -3.497 0.129 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.538 -4.630 2.175 1.00 0.00 H new ATOM 996 N ILE A 65 -6.902 -3.004 0.482 1.00 0.00 N ATOM 997 CA ILE A 65 -6.997 -1.553 0.589 1.00 0.00 C ATOM 998 C ILE A 65 -8.268 -1.035 -0.076 1.00 0.00 C ATOM 999 O ILE A 65 -8.841 -1.696 -0.941 1.00 0.00 O ATOM 1000 CB ILE A 65 -5.778 -0.860 -0.048 1.00 0.00 C ATOM 1001 CG1 ILE A 65 -4.498 -1.248 0.694 1.00 0.00 C ATOM 1002 CG2 ILE A 65 -5.964 0.650 -0.043 1.00 0.00 C ATOM 1003 CD1 ILE A 65 -3.235 -0.777 0.007 1.00 0.00 C ATOM 0 H ILE A 65 -7.047 -3.368 -0.460 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.024 -1.316 1.653 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.690 -1.191 -1.083 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.531 -0.832 1.701 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.463 -2.332 0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.094 1.125 -0.496 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.857 0.909 -0.612 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.075 1.000 0.983 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.367 -1.087 0.589 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.179 -1.214 -0.990 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.248 0.310 -0.073 1.00 0.00 H new ATOM 1015 N GLN A 66 -8.701 0.153 0.333 1.00 0.00 N ATOM 1016 CA GLN A 66 -9.903 0.761 -0.224 1.00 0.00 C ATOM 1017 C GLN A 66 -9.631 2.193 -0.674 1.00 0.00 C ATOM 1018 O GLN A 66 -9.522 3.102 0.147 1.00 0.00 O ATOM 1019 CB GLN A 66 -11.033 0.744 0.807 1.00 0.00 C ATOM 1020 CG GLN A 66 -12.415 0.916 0.197 1.00 0.00 C ATOM 1021 CD GLN A 66 -12.835 -0.275 -0.641 1.00 0.00 C ATOM 1022 OE1 GLN A 66 -13.507 -1.186 -0.155 1.00 0.00 O ATOM 1023 NE2 GLN A 66 -12.441 -0.276 -1.909 1.00 0.00 N ATOM 0 H GLN A 66 -8.237 0.713 1.048 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.205 0.178 -1.094 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.001 -0.198 1.354 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.864 1.539 1.533 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -13.143 1.070 0.994 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -12.426 1.813 -0.422 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -11.885 0.499 -2.271 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.694 -1.052 -2.521 1.00 0.00 H new ATOM 1032 N GLY A 67 -9.522 2.385 -1.985 1.00 0.00 N ATOM 1033 CA GLY A 67 -9.263 3.708 -2.522 1.00 0.00 C ATOM 1034 C GLY A 67 -7.784 3.969 -2.733 1.00 0.00 C ATOM 1035 O GLY A 67 -6.980 3.037 -2.760 1.00 0.00 O ATOM 0 H GLY A 67 -9.608 1.648 -2.685 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.788 3.821 -3.471 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.668 4.458 -1.843 1.00 0.00 H new ATOM 1039 N ASP A 68 -7.425 5.239 -2.884 1.00 0.00 N ATOM 1040 CA ASP A 68 -6.033 5.620 -3.094 1.00 0.00 C ATOM 1041 C ASP A 68 -5.233 5.489 -1.803 1.00 0.00 C ATOM 1042 O ASP A 68 -4.007 5.383 -1.828 1.00 0.00 O ATOM 1043 CB ASP A 68 -5.949 7.055 -3.618 1.00 0.00 C ATOM 1044 CG ASP A 68 -6.903 7.309 -4.769 1.00 0.00 C ATOM 1045 OD1 ASP A 68 -8.104 7.526 -4.506 1.00 0.00 O ATOM 1046 OD2 ASP A 68 -6.448 7.289 -5.932 1.00 0.00 O ATOM 0 H ASP A 68 -8.078 6.022 -2.865 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.605 4.945 -3.835 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.171 7.748 -2.807 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.929 7.261 -3.943 1.00 0.00 H new ATOM 1051 N SER A 69 -5.935 5.498 -0.674 1.00 0.00 N ATOM 1052 CA SER A 69 -5.289 5.385 0.629 1.00 0.00 C ATOM 1053 C SER A 69 -5.432 3.971 1.185 1.00 0.00 C ATOM 1054 O SER A 69 -6.290 3.203 0.748 1.00 0.00 O ATOM 1055 CB SER A 69 -5.890 6.394 1.609 1.00 0.00 C ATOM 1056 OG SER A 69 -5.195 7.628 1.560 1.00 0.00 O ATOM 0 H SER A 69 -6.951 5.582 -0.635 1.00 0.00 H new ATOM 0 HA SER A 69 -4.228 5.601 0.501 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.941 6.555 1.371 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.851 5.991 2.621 1.00 0.00 H new ATOM 0 HG SER A 69 -5.479 8.194 2.308 1.00 0.00 H new ATOM 1062 N VAL A 70 -4.586 3.635 2.153 1.00 0.00 N ATOM 1063 CA VAL A 70 -4.618 2.314 2.771 1.00 0.00 C ATOM 1064 C VAL A 70 -5.759 2.205 3.776 1.00 0.00 C ATOM 1065 O VAL A 70 -6.053 3.155 4.502 1.00 0.00 O ATOM 1066 CB VAL A 70 -3.289 1.996 3.483 1.00 0.00 C ATOM 1067 CG1 VAL A 70 -2.139 1.982 2.488 1.00 0.00 C ATOM 1068 CG2 VAL A 70 -3.029 2.999 4.597 1.00 0.00 C ATOM 0 H VAL A 70 -3.870 4.258 2.526 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.774 1.593 1.969 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.364 1.004 3.928 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.209 1.756 3.010 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.324 1.222 1.729 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.059 2.959 2.011 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.086 2.760 5.089 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.974 4.003 4.177 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.840 2.954 5.324 1.00 0.00 H new ATOM 1078 N ARG A 71 -6.399 1.041 3.812 1.00 0.00 N ATOM 1079 CA ARG A 71 -7.509 0.807 4.727 1.00 0.00 C ATOM 1080 C ARG A 71 -7.139 1.222 6.148 1.00 0.00 C ATOM 1081 O ARG A 71 -5.967 1.391 6.486 1.00 0.00 O ATOM 1082 CB ARG A 71 -7.915 -0.668 4.704 1.00 0.00 C ATOM 1083 CG ARG A 71 -9.029 -0.978 3.718 1.00 0.00 C ATOM 1084 CD ARG A 71 -9.551 -2.395 3.896 1.00 0.00 C ATOM 1085 NE ARG A 71 -10.968 -2.503 3.555 1.00 0.00 N ATOM 1086 CZ ARG A 71 -11.947 -2.076 4.344 1.00 0.00 C ATOM 1087 NH1 ARG A 71 -11.666 -1.516 5.512 1.00 0.00 N ATOM 1088 NH2 ARG A 71 -13.212 -2.210 3.965 1.00 0.00 N ATOM 0 H ARG A 71 -6.168 0.245 3.218 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.352 1.414 4.398 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.043 -1.272 4.455 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.233 -0.964 5.704 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.845 -0.268 3.854 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.662 -0.849 2.700 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.974 -3.075 3.269 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.402 -2.709 4.929 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.218 -2.929 2.663 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.695 -1.412 5.807 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -12.421 -1.189 6.116 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -13.432 -2.641 3.067 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -13.964 -1.882 4.571 1.00 0.00 H new ATOM 1102 N PRO A 72 -8.161 1.392 7.000 1.00 0.00 N ATOM 1103 CA PRO A 72 -7.968 1.790 8.398 1.00 0.00 C ATOM 1104 C PRO A 72 -7.328 0.685 9.232 1.00 0.00 C ATOM 1105 O PRO A 72 -7.155 0.828 10.441 1.00 0.00 O ATOM 1106 CB PRO A 72 -9.391 2.072 8.886 1.00 0.00 C ATOM 1107 CG PRO A 72 -10.264 1.247 8.005 1.00 0.00 C ATOM 1108 CD PRO A 72 -9.583 1.209 6.665 1.00 0.00 C ATOM 0 HA PRO A 72 -7.294 2.642 8.490 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.512 1.796 9.934 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -9.635 3.131 8.805 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -10.387 0.242 8.409 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.260 1.683 7.924 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.757 0.263 6.153 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.946 1.999 6.007 1.00 0.00 H new ATOM 1116 N GLY A 73 -6.978 -0.418 8.576 1.00 0.00 N ATOM 1117 CA GLY A 73 -6.361 -1.530 9.274 1.00 0.00 C ATOM 1118 C GLY A 73 -4.947 -1.801 8.798 1.00 0.00 C ATOM 1119 O GLY A 73 -4.096 -2.235 9.575 1.00 0.00 O ATOM 0 H GLY A 73 -7.111 -0.561 7.575 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.347 -1.321 10.344 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.967 -2.425 9.132 1.00 0.00 H new ATOM 1123 N ILE A 74 -4.697 -1.546 7.518 1.00 0.00 N ATOM 1124 CA ILE A 74 -3.377 -1.765 6.940 1.00 0.00 C ATOM 1125 C ILE A 74 -2.401 -0.674 7.368 1.00 0.00 C ATOM 1126 O ILE A 74 -2.620 0.509 7.104 1.00 0.00 O ATOM 1127 CB ILE A 74 -3.436 -1.811 5.402 1.00 0.00 C ATOM 1128 CG1 ILE A 74 -4.632 -2.646 4.940 1.00 0.00 C ATOM 1129 CG2 ILE A 74 -2.140 -2.374 4.838 1.00 0.00 C ATOM 1130 CD1 ILE A 74 -4.553 -4.097 5.358 1.00 0.00 C ATOM 0 H ILE A 74 -5.391 -1.188 6.862 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.027 -2.728 7.311 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.560 -0.795 5.028 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.546 -2.210 5.342 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.704 -2.593 3.854 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.198 -2.400 3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.306 -1.742 5.142 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.987 -3.384 5.217 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.433 -4.628 4.996 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.657 -4.550 4.934 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.512 -4.161 6.445 1.00 0.00 H new ATOM 1142 N LEU A 75 -1.322 -1.079 8.029 1.00 0.00 N ATOM 1143 CA LEU A 75 -0.310 -0.136 8.492 1.00 0.00 C ATOM 1144 C LEU A 75 0.907 -0.149 7.573 1.00 0.00 C ATOM 1145 O LEU A 75 1.608 -1.155 7.467 1.00 0.00 O ATOM 1146 CB LEU A 75 0.113 -0.474 9.923 1.00 0.00 C ATOM 1147 CG LEU A 75 -0.960 -0.302 10.998 1.00 0.00 C ATOM 1148 CD1 LEU A 75 -0.487 -0.884 12.322 1.00 0.00 C ATOM 1149 CD2 LEU A 75 -1.324 1.167 11.159 1.00 0.00 C ATOM 0 H LEU A 75 -1.126 -2.054 8.256 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.744 0.864 8.475 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.458 -1.508 9.944 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.966 0.152 10.186 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.852 -0.844 10.684 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.264 -0.753 13.075 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.278 -1.947 12.198 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.420 -0.370 12.642 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.089 1.270 11.928 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.438 1.732 11.450 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.706 1.553 10.214 1.00 0.00 H new ATOM 1161 N VAL A 76 1.154 0.977 6.911 1.00 0.00 N ATOM 1162 CA VAL A 76 2.289 1.098 6.003 1.00 0.00 C ATOM 1163 C VAL A 76 3.469 1.778 6.686 1.00 0.00 C ATOM 1164 O VAL A 76 3.308 2.451 7.706 1.00 0.00 O ATOM 1165 CB VAL A 76 1.914 1.892 4.738 1.00 0.00 C ATOM 1166 CG1 VAL A 76 0.596 1.394 4.165 1.00 0.00 C ATOM 1167 CG2 VAL A 76 1.842 3.380 5.046 1.00 0.00 C ATOM 0 H VAL A 76 0.583 1.819 6.986 1.00 0.00 H new ATOM 0 HA VAL A 76 2.574 0.086 5.716 1.00 0.00 H new ATOM 0 HB VAL A 76 2.690 1.736 3.989 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.348 1.967 3.272 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.687 0.339 3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.193 1.518 4.907 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.576 3.926 4.141 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.087 3.557 5.812 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.812 3.724 5.406 1.00 0.00 H new ATOM 1177 N LEU A 77 4.657 1.600 6.119 1.00 0.00 N ATOM 1178 CA LEU A 77 5.867 2.198 6.673 1.00 0.00 C ATOM 1179 C LEU A 77 6.900 2.449 5.579 1.00 0.00 C ATOM 1180 O LEU A 77 7.226 1.552 4.801 1.00 0.00 O ATOM 1181 CB LEU A 77 6.461 1.289 7.751 1.00 0.00 C ATOM 1182 CG LEU A 77 5.972 1.535 9.179 1.00 0.00 C ATOM 1183 CD1 LEU A 77 5.995 0.243 9.981 1.00 0.00 C ATOM 1184 CD2 LEU A 77 6.820 2.601 9.857 1.00 0.00 C ATOM 0 H LEU A 77 4.808 1.046 5.276 1.00 0.00 H new ATOM 0 HA LEU A 77 5.598 3.155 7.120 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.243 0.254 7.487 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.545 1.400 7.735 1.00 0.00 H new ATOM 0 HG LEU A 77 4.943 1.892 9.134 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.644 0.438 10.994 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.344 -0.492 9.506 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.013 -0.144 10.018 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.458 2.763 10.872 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.859 2.273 9.891 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.752 3.532 9.295 1.00 0.00 H new ATOM 1196 N ILE A 78 7.413 3.674 5.527 1.00 0.00 N ATOM 1197 CA ILE A 78 8.411 4.042 4.531 1.00 0.00 C ATOM 1198 C ILE A 78 9.817 3.999 5.120 1.00 0.00 C ATOM 1199 O ILE A 78 10.117 4.693 6.090 1.00 0.00 O ATOM 1200 CB ILE A 78 8.148 5.450 3.964 1.00 0.00 C ATOM 1201 CG1 ILE A 78 6.775 5.503 3.290 1.00 0.00 C ATOM 1202 CG2 ILE A 78 9.242 5.838 2.981 1.00 0.00 C ATOM 1203 CD1 ILE A 78 6.202 6.900 3.196 1.00 0.00 C ATOM 0 H ILE A 78 7.154 4.428 6.163 1.00 0.00 H new ATOM 0 HA ILE A 78 8.335 3.314 3.724 1.00 0.00 H new ATOM 0 HB ILE A 78 8.156 6.165 4.787 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.855 5.084 2.287 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.082 4.871 3.845 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.042 6.835 2.589 1.00 0.00 H new ATOM 0 HG22 ILE A 78 10.206 5.835 3.490 1.00 0.00 H new ATOM 0 HG23 ILE A 78 9.263 5.123 2.159 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.228 6.862 2.708 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.090 7.315 4.197 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.875 7.531 2.615 1.00 0.00 H new ATOM 1215 N ASN A 79 10.677 3.178 4.524 1.00 0.00 N ATOM 1216 CA ASN A 79 12.053 3.045 4.989 1.00 0.00 C ATOM 1217 C ASN A 79 12.107 2.953 6.511 1.00 0.00 C ATOM 1218 O ASN A 79 13.017 3.489 7.143 1.00 0.00 O ATOM 1219 CB ASN A 79 12.893 4.230 4.508 1.00 0.00 C ATOM 1220 CG ASN A 79 12.793 4.439 3.009 1.00 0.00 C ATOM 1221 OD1 ASN A 79 12.114 5.353 2.543 1.00 0.00 O ATOM 1222 ND2 ASN A 79 13.471 3.589 2.247 1.00 0.00 N ATOM 0 H ASN A 79 10.445 2.596 3.719 1.00 0.00 H new ATOM 0 HA ASN A 79 12.463 2.125 4.573 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.567 5.135 5.021 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.936 4.067 4.781 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.442 3.679 1.231 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.021 2.846 2.677 1.00 0.00 H new ATOM 1229 N ASP A 80 11.127 2.270 7.092 1.00 0.00 N ATOM 1230 CA ASP A 80 11.063 2.106 8.540 1.00 0.00 C ATOM 1231 C ASP A 80 10.673 3.416 9.218 1.00 0.00 C ATOM 1232 O ASP A 80 11.240 3.787 10.245 1.00 0.00 O ATOM 1233 CB ASP A 80 12.408 1.619 9.079 1.00 0.00 C ATOM 1234 CG ASP A 80 13.051 0.581 8.180 1.00 0.00 C ATOM 1235 OD1 ASP A 80 13.603 0.966 7.128 1.00 0.00 O ATOM 1236 OD2 ASP A 80 13.003 -0.617 8.529 1.00 0.00 O ATOM 0 H ASP A 80 10.366 1.821 6.583 1.00 0.00 H new ATOM 0 HA ASP A 80 10.300 1.361 8.764 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.082 2.469 9.187 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.266 1.196 10.073 1.00 0.00 H new ATOM 1241 N ALA A 81 9.702 4.112 8.636 1.00 0.00 N ATOM 1242 CA ALA A 81 9.236 5.379 9.184 1.00 0.00 C ATOM 1243 C ALA A 81 7.767 5.614 8.853 1.00 0.00 C ATOM 1244 O ALA A 81 7.382 5.646 7.684 1.00 0.00 O ATOM 1245 CB ALA A 81 10.087 6.526 8.659 1.00 0.00 C ATOM 0 H ALA A 81 9.223 3.819 7.785 1.00 0.00 H new ATOM 0 HA ALA A 81 9.334 5.335 10.269 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.728 7.466 9.077 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.126 6.372 8.952 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.018 6.562 7.572 1.00 0.00 H new ATOM 1251 N ASP A 82 6.950 5.776 9.888 1.00 0.00 N ATOM 1252 CA ASP A 82 5.522 6.008 9.706 1.00 0.00 C ATOM 1253 C ASP A 82 5.270 6.965 8.545 1.00 0.00 C ATOM 1254 O ASP A 82 5.775 8.088 8.533 1.00 0.00 O ATOM 1255 CB ASP A 82 4.907 6.571 10.989 1.00 0.00 C ATOM 1256 CG ASP A 82 5.437 5.885 12.233 1.00 0.00 C ATOM 1257 OD1 ASP A 82 6.608 6.128 12.592 1.00 0.00 O ATOM 1258 OD2 ASP A 82 4.679 5.106 12.848 1.00 0.00 O ATOM 0 H ASP A 82 7.252 5.751 10.862 1.00 0.00 H new ATOM 0 HA ASP A 82 5.051 5.053 9.475 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.115 7.639 11.050 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.824 6.459 10.949 1.00 0.00 H new ATOM 1263 N TRP A 83 4.489 6.512 7.571 1.00 0.00 N ATOM 1264 CA TRP A 83 4.171 7.328 6.405 1.00 0.00 C ATOM 1265 C TRP A 83 3.327 8.535 6.798 1.00 0.00 C ATOM 1266 O TRP A 83 3.338 9.559 6.116 1.00 0.00 O ATOM 1267 CB TRP A 83 3.432 6.492 5.358 1.00 0.00 C ATOM 1268 CG TRP A 83 2.024 6.159 5.751 1.00 0.00 C ATOM 1269 CD1 TRP A 83 1.589 5.764 6.984 1.00 0.00 C ATOM 1270 CD2 TRP A 83 0.869 6.189 4.906 1.00 0.00 C ATOM 1271 NE1 TRP A 83 0.232 5.547 6.956 1.00 0.00 N ATOM 1272 CE2 TRP A 83 -0.233 5.802 5.693 1.00 0.00 C ATOM 1273 CE3 TRP A 83 0.657 6.508 3.562 1.00 0.00 C ATOM 1274 CZ2 TRP A 83 -1.525 5.724 5.179 1.00 0.00 C ATOM 1275 CZ3 TRP A 83 -0.625 6.430 3.053 1.00 0.00 C ATOM 1276 CH2 TRP A 83 -1.703 6.042 3.860 1.00 0.00 C ATOM 0 H TRP A 83 4.064 5.585 7.565 1.00 0.00 H new ATOM 0 HA TRP A 83 5.107 7.687 5.978 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.419 7.035 4.413 1.00 0.00 H new ATOM 0 HB3 TRP A 83 3.983 5.567 5.187 1.00 0.00 H new ATOM 0 HD1 TRP A 83 2.218 5.640 7.853 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -0.336 5.245 7.747 1.00 0.00 H new ATOM 0 HE3 TRP A 83 1.481 6.810 2.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -2.357 5.423 5.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.799 6.672 2.015 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.694 5.993 3.433 1.00 0.00 H new ATOM 1287 N GLU A 84 2.597 8.407 7.902 1.00 0.00 N ATOM 1288 CA GLU A 84 1.747 9.490 8.384 1.00 0.00 C ATOM 1289 C GLU A 84 2.587 10.629 8.953 1.00 0.00 C ATOM 1290 O GLU A 84 2.144 11.778 9.003 1.00 0.00 O ATOM 1291 CB GLU A 84 0.781 8.972 9.451 1.00 0.00 C ATOM 1292 CG GLU A 84 1.413 7.984 10.417 1.00 0.00 C ATOM 1293 CD GLU A 84 0.783 8.031 11.796 1.00 0.00 C ATOM 1294 OE1 GLU A 84 0.004 8.971 12.060 1.00 0.00 O ATOM 1295 OE2 GLU A 84 1.068 7.128 12.610 1.00 0.00 O ATOM 0 H GLU A 84 2.577 7.566 8.478 1.00 0.00 H new ATOM 0 HA GLU A 84 1.174 9.872 7.539 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.389 9.818 10.015 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.067 8.495 8.960 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.319 6.976 10.013 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.479 8.195 10.501 1.00 0.00 H new ATOM 1302 N LEU A 85 3.802 10.304 9.381 1.00 0.00 N ATOM 1303 CA LEU A 85 4.705 11.300 9.948 1.00 0.00 C ATOM 1304 C LEU A 85 5.314 12.168 8.852 1.00 0.00 C ATOM 1305 O LEU A 85 5.656 13.329 9.082 1.00 0.00 O ATOM 1306 CB LEU A 85 5.815 10.614 10.746 1.00 0.00 C ATOM 1307 CG LEU A 85 5.530 10.384 12.231 1.00 0.00 C ATOM 1308 CD1 LEU A 85 4.327 9.472 12.409 1.00 0.00 C ATOM 1309 CD2 LEU A 85 6.752 9.800 12.925 1.00 0.00 C ATOM 0 H LEU A 85 4.185 9.359 9.346 1.00 0.00 H new ATOM 0 HA LEU A 85 4.128 11.940 10.615 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.025 9.650 10.283 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.721 11.213 10.659 1.00 0.00 H new ATOM 0 HG LEU A 85 5.302 11.346 12.690 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.140 9.320 13.472 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.452 9.930 11.948 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.526 8.511 11.935 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.531 9.643 13.981 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.012 8.847 12.463 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.590 10.491 12.829 1.00 0.00 H new ATOM 1321 N LEU A 86 5.446 11.600 7.658 1.00 0.00 N ATOM 1322 CA LEU A 86 6.012 12.323 6.525 1.00 0.00 C ATOM 1323 C LEU A 86 4.910 12.860 5.617 1.00 0.00 C ATOM 1324 O LEU A 86 4.692 14.068 5.537 1.00 0.00 O ATOM 1325 CB LEU A 86 6.946 11.411 5.727 1.00 0.00 C ATOM 1326 CG LEU A 86 7.836 10.478 6.550 1.00 0.00 C ATOM 1327 CD1 LEU A 86 8.132 9.203 5.775 1.00 0.00 C ATOM 1328 CD2 LEU A 86 9.129 11.180 6.939 1.00 0.00 C ATOM 0 H LEU A 86 5.169 10.641 7.450 1.00 0.00 H new ATOM 0 HA LEU A 86 6.582 13.167 6.913 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.341 10.804 5.054 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.586 12.035 5.104 1.00 0.00 H new ATOM 0 HG LEU A 86 7.303 10.210 7.462 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.766 8.551 6.376 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.197 8.690 5.547 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.645 9.453 4.846 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.750 10.501 7.524 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.666 11.478 6.039 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.898 12.064 7.533 1.00 0.00 H new ATOM 1340 N GLY A 87 4.217 11.953 4.935 1.00 0.00 N ATOM 1341 CA GLY A 87 3.145 12.355 4.043 1.00 0.00 C ATOM 1342 C GLY A 87 2.347 11.174 3.527 1.00 0.00 C ATOM 1343 O GLY A 87 2.641 10.637 2.460 1.00 0.00 O ATOM 0 H GLY A 87 4.379 10.947 4.984 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.478 13.039 4.567 1.00 0.00 H new ATOM 0 HA3 GLY A 87 3.565 12.903 3.199 1.00 0.00 H new ATOM 1347 N GLU A 88 1.335 10.767 4.288 1.00 0.00 N ATOM 1348 CA GLU A 88 0.495 9.640 3.902 1.00 0.00 C ATOM 1349 C GLU A 88 0.325 9.583 2.386 1.00 0.00 C ATOM 1350 O GLU A 88 0.620 8.567 1.755 1.00 0.00 O ATOM 1351 CB GLU A 88 -0.875 9.743 4.576 1.00 0.00 C ATOM 1352 CG GLU A 88 -0.818 9.631 6.090 1.00 0.00 C ATOM 1353 CD GLU A 88 -2.172 9.335 6.705 1.00 0.00 C ATOM 1354 OE1 GLU A 88 -3.149 10.029 6.353 1.00 0.00 O ATOM 1355 OE2 GLU A 88 -2.256 8.409 7.539 1.00 0.00 O ATOM 0 H GLU A 88 1.078 11.201 5.174 1.00 0.00 H new ATOM 0 HA GLU A 88 0.986 8.724 4.230 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.332 10.695 4.307 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.522 8.958 4.186 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.118 8.843 6.366 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.430 10.561 6.505 1.00 0.00 H new ATOM 1362 N LEU A 89 -0.153 10.679 1.809 1.00 0.00 N ATOM 1363 CA LEU A 89 -0.364 10.755 0.367 1.00 0.00 C ATOM 1364 C LEU A 89 0.459 11.884 -0.245 1.00 0.00 C ATOM 1365 O LEU A 89 0.819 11.837 -1.421 1.00 0.00 O ATOM 1366 CB LEU A 89 -1.847 10.964 0.059 1.00 0.00 C ATOM 1367 CG LEU A 89 -2.806 9.919 0.631 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -4.249 10.371 0.465 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -2.586 8.571 -0.039 1.00 0.00 C ATOM 0 H LEU A 89 -0.402 11.528 2.317 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.038 9.813 -0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.141 11.943 0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.973 10.989 -1.023 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.602 9.810 1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.917 9.615 0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.398 11.313 0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.468 10.509 -0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.277 7.839 0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.762 8.664 -1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.561 8.242 0.133 1.00 0.00 H new ATOM 1381 N ASP A 90 0.755 12.898 0.562 1.00 0.00 N ATOM 1382 CA ASP A 90 1.538 14.038 0.101 1.00 0.00 C ATOM 1383 C ASP A 90 2.992 13.640 -0.134 1.00 0.00 C ATOM 1384 O ASP A 90 3.719 14.310 -0.867 1.00 0.00 O ATOM 1385 CB ASP A 90 1.466 15.178 1.118 1.00 0.00 C ATOM 1386 CG ASP A 90 2.025 16.477 0.572 1.00 0.00 C ATOM 1387 OD1 ASP A 90 1.297 17.171 -0.168 1.00 0.00 O ATOM 1388 OD2 ASP A 90 3.190 16.800 0.885 1.00 0.00 O ATOM 0 H ASP A 90 0.464 12.953 1.538 1.00 0.00 H new ATOM 0 HA ASP A 90 1.116 14.378 -0.845 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.429 15.329 1.417 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.018 14.897 2.015 1.00 0.00 H new ATOM 1393 N TYR A 91 3.408 12.546 0.495 1.00 0.00 N ATOM 1394 CA TYR A 91 4.776 12.060 0.357 1.00 0.00 C ATOM 1395 C TYR A 91 5.026 11.527 -1.050 1.00 0.00 C ATOM 1396 O TYR A 91 4.266 10.703 -1.557 1.00 0.00 O ATOM 1397 CB TYR A 91 5.057 10.965 1.387 1.00 0.00 C ATOM 1398 CG TYR A 91 6.503 10.528 1.428 1.00 0.00 C ATOM 1399 CD1 TYR A 91 7.046 9.758 0.406 1.00 0.00 C ATOM 1400 CD2 TYR A 91 7.328 10.883 2.488 1.00 0.00 C ATOM 1401 CE1 TYR A 91 8.367 9.356 0.439 1.00 0.00 C ATOM 1402 CE2 TYR A 91 8.650 10.486 2.529 1.00 0.00 C ATOM 1403 CZ TYR A 91 9.165 9.723 1.502 1.00 0.00 C ATOM 1404 OH TYR A 91 10.482 9.324 1.539 1.00 0.00 O ATOM 0 H TYR A 91 2.818 11.980 1.105 1.00 0.00 H new ATOM 0 HA TYR A 91 5.451 12.897 0.534 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.767 11.324 2.374 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.431 10.100 1.165 1.00 0.00 H new ATOM 0 HD1 TYR A 91 6.424 9.469 -0.428 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.928 11.480 3.294 1.00 0.00 H new ATOM 0 HE1 TYR A 91 8.773 8.758 -0.363 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.277 10.771 3.361 1.00 0.00 H new ATOM 0 HH TYR A 91 10.905 9.667 2.354 1.00 0.00 H new ATOM 1414 N GLN A 92 6.099 12.003 -1.674 1.00 0.00 N ATOM 1415 CA GLN A 92 6.450 11.574 -3.023 1.00 0.00 C ATOM 1416 C GLN A 92 7.602 10.575 -2.994 1.00 0.00 C ATOM 1417 O GLN A 92 8.725 10.918 -2.624 1.00 0.00 O ATOM 1418 CB GLN A 92 6.828 12.782 -3.882 1.00 0.00 C ATOM 1419 CG GLN A 92 5.769 13.873 -3.899 1.00 0.00 C ATOM 1420 CD GLN A 92 6.267 15.160 -4.526 1.00 0.00 C ATOM 1421 OE1 GLN A 92 7.466 15.334 -4.745 1.00 0.00 O ATOM 1422 NE2 GLN A 92 5.346 16.070 -4.820 1.00 0.00 N ATOM 0 H GLN A 92 6.740 12.685 -1.268 1.00 0.00 H new ATOM 0 HA GLN A 92 5.580 11.084 -3.460 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.764 13.201 -3.512 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.010 12.448 -4.904 1.00 0.00 H new ATOM 0 HG2 GLN A 92 4.897 13.519 -4.449 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.443 14.073 -2.878 1.00 0.00 H new ATOM 0 HE21 GLN A 92 4.363 15.884 -4.621 1.00 0.00 H new ATOM 0 HE22 GLN A 92 5.621 16.956 -5.245 1.00 0.00 H new ATOM 1431 N LEU A 93 7.315 9.339 -3.386 1.00 0.00 N ATOM 1432 CA LEU A 93 8.327 8.288 -3.405 1.00 0.00 C ATOM 1433 C LEU A 93 9.378 8.563 -4.476 1.00 0.00 C ATOM 1434 O LEU A 93 9.051 8.983 -5.585 1.00 0.00 O ATOM 1435 CB LEU A 93 7.674 6.927 -3.653 1.00 0.00 C ATOM 1436 CG LEU A 93 6.815 6.378 -2.514 1.00 0.00 C ATOM 1437 CD1 LEU A 93 6.432 4.931 -2.784 1.00 0.00 C ATOM 1438 CD2 LEU A 93 7.548 6.499 -1.186 1.00 0.00 C ATOM 0 H LEU A 93 6.390 9.040 -3.695 1.00 0.00 H new ATOM 0 HA LEU A 93 8.820 8.276 -2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.054 7.001 -4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.460 6.203 -3.870 1.00 0.00 H new ATOM 0 HG LEU A 93 5.901 6.970 -2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 93 5.821 4.557 -1.963 1.00 0.00 H new ATOM 0 HD12 LEU A 93 5.866 4.872 -3.714 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.334 4.326 -2.869 1.00 0.00 H new ATOM 0 HD21 LEU A 93 6.921 6.103 -0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.479 5.933 -1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.770 7.547 -0.987 1.00 0.00 H new ATOM 1450 N GLN A 94 10.640 8.322 -4.135 1.00 0.00 N ATOM 1451 CA GLN A 94 11.738 8.543 -5.069 1.00 0.00 C ATOM 1452 C GLN A 94 12.276 7.218 -5.599 1.00 0.00 C ATOM 1453 O GLN A 94 11.743 6.152 -5.291 1.00 0.00 O ATOM 1454 CB GLN A 94 12.861 9.329 -4.391 1.00 0.00 C ATOM 1455 CG GLN A 94 12.570 10.815 -4.258 1.00 0.00 C ATOM 1456 CD GLN A 94 12.923 11.594 -5.509 1.00 0.00 C ATOM 1457 OE1 GLN A 94 13.719 11.140 -6.333 1.00 0.00 O ATOM 1458 NE2 GLN A 94 12.332 12.773 -5.660 1.00 0.00 N ATOM 0 H GLN A 94 10.927 7.974 -3.220 1.00 0.00 H new ATOM 0 HA GLN A 94 11.356 9.122 -5.910 1.00 0.00 H new ATOM 0 HB2 GLN A 94 13.038 8.912 -3.400 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.781 9.197 -4.961 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.513 10.955 -4.034 1.00 0.00 H new ATOM 0 HG3 GLN A 94 13.131 11.217 -3.414 1.00 0.00 H new ATOM 0 HE21 GLN A 94 11.679 13.111 -4.953 1.00 0.00 H new ATOM 0 HE22 GLN A 94 12.531 13.341 -6.483 1.00 0.00 H new ATOM 1467 N ASP A 95 13.335 7.293 -6.397 1.00 0.00 N ATOM 1468 CA ASP A 95 13.947 6.099 -6.970 1.00 0.00 C ATOM 1469 C ASP A 95 14.725 5.325 -5.911 1.00 0.00 C ATOM 1470 O ASP A 95 15.347 5.917 -5.029 1.00 0.00 O ATOM 1471 CB ASP A 95 14.874 6.480 -8.125 1.00 0.00 C ATOM 1472 CG ASP A 95 15.736 7.685 -7.803 1.00 0.00 C ATOM 1473 OD1 ASP A 95 16.485 7.630 -6.805 1.00 0.00 O ATOM 1474 OD2 ASP A 95 15.662 8.683 -8.549 1.00 0.00 O ATOM 0 H ASP A 95 13.788 8.168 -6.662 1.00 0.00 H new ATOM 0 HA ASP A 95 13.150 5.459 -7.349 1.00 0.00 H new ATOM 0 HB2 ASP A 95 15.515 5.632 -8.367 1.00 0.00 H new ATOM 0 HB3 ASP A 95 14.277 6.691 -9.012 1.00 0.00 H new ATOM 1479 N GLN A 96 14.683 4.000 -6.004 1.00 0.00 N ATOM 1480 CA GLN A 96 15.383 3.146 -5.052 1.00 0.00 C ATOM 1481 C GLN A 96 14.834 3.338 -3.642 1.00 0.00 C ATOM 1482 O GLN A 96 15.593 3.424 -2.676 1.00 0.00 O ATOM 1483 CB GLN A 96 16.883 3.444 -5.073 1.00 0.00 C ATOM 1484 CG GLN A 96 17.563 3.053 -6.375 1.00 0.00 C ATOM 1485 CD GLN A 96 17.144 3.930 -7.538 1.00 0.00 C ATOM 1486 OE1 GLN A 96 17.583 5.074 -7.658 1.00 0.00 O ATOM 1487 NE2 GLN A 96 16.289 3.397 -8.404 1.00 0.00 N ATOM 0 H GLN A 96 14.172 3.495 -6.728 1.00 0.00 H new ATOM 0 HA GLN A 96 15.222 2.109 -5.347 1.00 0.00 H new ATOM 0 HB2 GLN A 96 17.036 4.509 -4.899 1.00 0.00 H new ATOM 0 HB3 GLN A 96 17.362 2.914 -4.249 1.00 0.00 H new ATOM 0 HG2 GLN A 96 18.644 3.115 -6.249 1.00 0.00 H new ATOM 0 HG3 GLN A 96 17.328 2.014 -6.605 1.00 0.00 H new ATOM 0 HE21 GLN A 96 15.950 2.445 -8.266 1.00 0.00 H new ATOM 0 HE22 GLN A 96 15.971 3.940 -9.207 1.00 0.00 H new ATOM 1496 N ASP A 97 13.512 3.406 -3.531 1.00 0.00 N ATOM 1497 CA ASP A 97 12.861 3.588 -2.239 1.00 0.00 C ATOM 1498 C ASP A 97 12.415 2.248 -1.662 1.00 0.00 C ATOM 1499 O ASP A 97 12.492 1.217 -2.330 1.00 0.00 O ATOM 1500 CB ASP A 97 11.659 4.524 -2.377 1.00 0.00 C ATOM 1501 CG ASP A 97 12.065 5.983 -2.436 1.00 0.00 C ATOM 1502 OD1 ASP A 97 12.988 6.311 -3.211 1.00 0.00 O ATOM 1503 OD2 ASP A 97 11.459 6.797 -1.709 1.00 0.00 O ATOM 0 H ASP A 97 12.870 3.338 -4.321 1.00 0.00 H new ATOM 0 HA ASP A 97 13.583 4.035 -1.556 1.00 0.00 H new ATOM 0 HB2 ASP A 97 11.104 4.268 -3.280 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.985 4.371 -1.534 1.00 0.00 H new ATOM 1508 N SER A 98 11.950 2.271 -0.417 1.00 0.00 N ATOM 1509 CA SER A 98 11.496 1.058 0.252 1.00 0.00 C ATOM 1510 C SER A 98 10.181 1.301 0.986 1.00 0.00 C ATOM 1511 O SER A 98 10.057 2.249 1.763 1.00 0.00 O ATOM 1512 CB SER A 98 12.559 0.565 1.237 1.00 0.00 C ATOM 1513 OG SER A 98 13.599 -0.122 0.563 1.00 0.00 O ATOM 0 H SER A 98 11.878 3.117 0.149 1.00 0.00 H new ATOM 0 HA SER A 98 11.332 0.294 -0.508 1.00 0.00 H new ATOM 0 HB2 SER A 98 12.973 1.412 1.784 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.100 -0.095 1.972 1.00 0.00 H new ATOM 0 HG SER A 98 14.266 -0.425 1.214 1.00 0.00 H new ATOM 1519 N ILE A 99 9.202 0.439 0.733 1.00 0.00 N ATOM 1520 CA ILE A 99 7.896 0.559 1.370 1.00 0.00 C ATOM 1521 C ILE A 99 7.475 -0.757 2.014 1.00 0.00 C ATOM 1522 O ILE A 99 7.796 -1.836 1.514 1.00 0.00 O ATOM 1523 CB ILE A 99 6.816 0.993 0.362 1.00 0.00 C ATOM 1524 CG1 ILE A 99 7.363 2.075 -0.571 1.00 0.00 C ATOM 1525 CG2 ILE A 99 5.579 1.493 1.093 1.00 0.00 C ATOM 1526 CD1 ILE A 99 7.651 3.386 0.127 1.00 0.00 C ATOM 0 H ILE A 99 9.288 -0.350 0.092 1.00 0.00 H new ATOM 0 HA ILE A 99 7.990 1.324 2.141 1.00 0.00 H new ATOM 0 HB ILE A 99 6.534 0.129 -0.240 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.279 1.712 -1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.645 2.249 -1.372 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.825 1.796 0.367 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.180 0.696 1.720 1.00 0.00 H new ATOM 0 HG23 ILE A 99 5.845 2.346 1.717 1.00 0.00 H new ATOM 0 HD11 ILE A 99 8.036 4.106 -0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.733 3.772 0.570 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.392 3.226 0.910 1.00 0.00 H new ATOM 1538 N LEU A 100 6.753 -0.662 3.125 1.00 0.00 N ATOM 1539 CA LEU A 100 6.286 -1.846 3.838 1.00 0.00 C ATOM 1540 C LEU A 100 4.792 -1.751 4.130 1.00 0.00 C ATOM 1541 O LEU A 100 4.297 -0.707 4.556 1.00 0.00 O ATOM 1542 CB LEU A 100 7.063 -2.019 5.144 1.00 0.00 C ATOM 1543 CG LEU A 100 6.481 -3.020 6.143 1.00 0.00 C ATOM 1544 CD1 LEU A 100 6.922 -4.434 5.800 1.00 0.00 C ATOM 1545 CD2 LEU A 100 6.896 -2.660 7.562 1.00 0.00 C ATOM 0 H LEU A 100 6.478 0.223 3.552 1.00 0.00 H new ATOM 0 HA LEU A 100 6.459 -2.715 3.203 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.079 -2.328 4.901 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.134 -1.047 5.633 1.00 0.00 H new ATOM 0 HG LEU A 100 5.394 -2.975 6.081 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.498 -5.132 6.522 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.575 -4.691 4.799 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.010 -4.494 5.833 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.473 -3.383 8.259 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.983 -2.676 7.638 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.530 -1.663 7.806 1.00 0.00 H new ATOM 1557 N PHE A 101 4.078 -2.848 3.900 1.00 0.00 N ATOM 1558 CA PHE A 101 2.640 -2.889 4.140 1.00 0.00 C ATOM 1559 C PHE A 101 2.269 -4.083 5.014 1.00 0.00 C ATOM 1560 O PHE A 101 2.354 -5.233 4.583 1.00 0.00 O ATOM 1561 CB PHE A 101 1.882 -2.959 2.812 1.00 0.00 C ATOM 1562 CG PHE A 101 2.118 -1.771 1.924 1.00 0.00 C ATOM 1563 CD1 PHE A 101 3.207 -1.735 1.068 1.00 0.00 C ATOM 1564 CD2 PHE A 101 1.250 -0.692 1.944 1.00 0.00 C ATOM 1565 CE1 PHE A 101 3.426 -0.642 0.251 1.00 0.00 C ATOM 1566 CE2 PHE A 101 1.464 0.403 1.128 1.00 0.00 C ATOM 1567 CZ PHE A 101 2.553 0.428 0.279 1.00 0.00 C ATOM 0 H PHE A 101 4.472 -3.721 3.548 1.00 0.00 H new ATOM 0 HA PHE A 101 2.358 -1.976 4.664 1.00 0.00 H new ATOM 0 HB2 PHE A 101 2.178 -3.864 2.281 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.815 -3.044 3.016 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.892 -2.570 1.039 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.396 -0.706 2.605 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.280 -0.625 -0.410 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.780 1.238 1.154 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.721 1.281 -0.361 1.00 0.00 H new ATOM 1577 N ILE A 102 1.856 -3.801 6.246 1.00 0.00 N ATOM 1578 CA ILE A 102 1.471 -4.850 7.181 1.00 0.00 C ATOM 1579 C ILE A 102 -0.033 -4.841 7.429 1.00 0.00 C ATOM 1580 O ILE A 102 -0.671 -3.788 7.399 1.00 0.00 O ATOM 1581 CB ILE A 102 2.203 -4.700 8.528 1.00 0.00 C ATOM 1582 CG1 ILE A 102 1.823 -5.844 9.470 1.00 0.00 C ATOM 1583 CG2 ILE A 102 1.877 -3.355 9.161 1.00 0.00 C ATOM 1584 CD1 ILE A 102 2.897 -6.176 10.482 1.00 0.00 C ATOM 0 H ILE A 102 1.780 -2.855 6.619 1.00 0.00 H new ATOM 0 HA ILE A 102 1.756 -5.798 6.725 1.00 0.00 H new ATOM 0 HB ILE A 102 3.277 -4.744 8.348 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.907 -5.580 9.998 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.605 -6.733 8.879 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.402 -3.264 10.112 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.193 -2.553 8.494 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.803 -3.284 9.331 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.559 -6.996 11.116 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.808 -6.472 9.962 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.099 -5.300 11.099 1.00 0.00 H new ATOM 1596 N SER A 103 -0.595 -6.020 7.674 1.00 0.00 N ATOM 1597 CA SER A 103 -2.025 -6.149 7.926 1.00 0.00 C ATOM 1598 C SER A 103 -2.289 -6.538 9.377 1.00 0.00 C ATOM 1599 O SER A 103 -1.847 -7.589 9.842 1.00 0.00 O ATOM 1600 CB SER A 103 -2.638 -7.190 6.987 1.00 0.00 C ATOM 1601 OG SER A 103 -4.029 -7.329 7.218 1.00 0.00 O ATOM 0 H SER A 103 -0.081 -6.901 7.703 1.00 0.00 H new ATOM 0 HA SER A 103 -2.490 -5.181 7.738 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.466 -6.896 5.952 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.144 -8.151 7.132 1.00 0.00 H new ATOM 0 HG SER A 103 -4.397 -7.999 6.604 1.00 0.00 H new ATOM 1607 N THR A 104 -3.014 -5.681 10.090 1.00 0.00 N ATOM 1608 CA THR A 104 -3.337 -5.933 11.489 1.00 0.00 C ATOM 1609 C THR A 104 -4.845 -5.997 11.703 1.00 0.00 C ATOM 1610 O THR A 104 -5.345 -5.657 12.776 1.00 0.00 O ATOM 1611 CB THR A 104 -2.745 -4.846 12.406 1.00 0.00 C ATOM 1612 OG1 THR A 104 -2.964 -5.191 13.779 1.00 0.00 O ATOM 1613 CG2 THR A 104 -3.371 -3.491 12.113 1.00 0.00 C ATOM 0 H THR A 104 -3.388 -4.807 9.721 1.00 0.00 H new ATOM 0 HA THR A 104 -2.896 -6.896 11.747 1.00 0.00 H new ATOM 0 HB THR A 104 -1.674 -4.783 12.213 1.00 0.00 H new ATOM 0 HG1 THR A 104 -3.869 -5.553 13.885 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.937 -2.740 12.773 1.00 0.00 H new ATOM 0 HG22 THR A 104 -3.178 -3.218 11.076 1.00 0.00 H new ATOM 0 HG23 THR A 104 -4.447 -3.543 12.280 1.00 0.00 H new