USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=11 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 Set 1.1: A 79 ASN :FLIP amide:sc= 0.0898 F(o=-0.83,f=0.082) USER MOD Set 1.2: A 98 SER OG : rot 180:sc=-0.00763 USER MOD Single : A 13 CYS SG : rot 39:sc= 0.589 USER MOD Single : A 15 LYS NZ :NH3+ -162:sc= -0.0264 (180deg=-0.236) 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= -5.91! C(o=-5.9!,f=-6.1!) USER MOD Single : A 33 GLN : amide:sc= -0.0532 K(o=-0.053,f=-1.6!) USER MOD Single : A 39 GLN : amide:sc= -1.09 K(o=-1.1,f=-2!) USER MOD Single : A 47 ASN : amide:sc= -1.4! C(o=-1.4!,f=-8!) USER MOD Single : A 53 LYS NZ :NH3+ -119:sc= 1.09 (180deg=-0.296) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN :FLIP amide:sc= -2.31 F(o=-3.6,f=-2.3) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0.00263 X(o=0.0026,f=-0.31) USER MOD Single : A 69 SER OG : rot 180:sc= -0.35 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.736 K(o=-0.74,f=-3!) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN :FLIP amide:sc= -0.49 F(o=-1.4,f=-0.49) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -51:sc= 0.821 USER MOD ----------------------------------------------------------------- ATOM 83 N ALA A 9 10.631 11.064 -18.400 1.00 0.00 N ATOM 84 CA ALA A 9 11.071 10.741 -17.048 1.00 0.00 C ATOM 85 C ALA A 9 11.537 9.292 -16.954 1.00 0.00 C ATOM 86 O ALA A 9 11.035 8.421 -17.664 1.00 0.00 O ATOM 87 CB ALA A 9 9.953 11.004 -16.051 1.00 0.00 C ATOM 0 HA ALA A 9 11.917 11.384 -16.805 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.296 10.758 -15.046 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.670 12.056 -16.091 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.090 10.387 -16.301 1.00 0.00 H new ATOM 93 N ALA A 10 12.500 9.041 -16.073 1.00 0.00 N ATOM 94 CA ALA A 10 13.031 7.697 -15.885 1.00 0.00 C ATOM 95 C ALA A 10 12.212 6.920 -14.860 1.00 0.00 C ATOM 96 O ALA A 10 11.739 7.468 -13.864 1.00 0.00 O ATOM 97 CB ALA A 10 14.490 7.761 -15.458 1.00 0.00 C ATOM 0 H ALA A 10 12.928 9.751 -15.479 1.00 0.00 H new ATOM 0 HA ALA A 10 12.965 7.171 -16.837 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.874 6.750 -15.321 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.072 8.269 -16.227 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.571 8.310 -14.520 1.00 0.00 H new ATOM 103 N PRO A 11 12.037 5.613 -15.108 1.00 0.00 N ATOM 104 CA PRO A 11 11.274 4.734 -14.218 1.00 0.00 C ATOM 105 C PRO A 11 11.989 4.488 -12.894 1.00 0.00 C ATOM 106 O PRO A 11 13.191 4.221 -12.865 1.00 0.00 O ATOM 107 CB PRO A 11 11.163 3.432 -15.015 1.00 0.00 C ATOM 108 CG PRO A 11 12.336 3.449 -15.934 1.00 0.00 C ATOM 109 CD PRO A 11 12.573 4.894 -16.276 1.00 0.00 C ATOM 0 HA PRO A 11 10.311 5.167 -13.945 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.187 2.562 -14.358 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.226 3.386 -15.570 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.213 3.012 -15.456 1.00 0.00 H new ATOM 0 HG3 PRO A 11 12.137 2.863 -16.831 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.632 5.103 -16.425 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.059 5.179 -17.194 1.00 0.00 H new ATOM 117 N LEU A 12 11.243 4.578 -11.798 1.00 0.00 N ATOM 118 CA LEU A 12 11.806 4.364 -10.469 1.00 0.00 C ATOM 119 C LEU A 12 11.400 3.000 -9.919 1.00 0.00 C ATOM 120 O LEU A 12 10.274 2.547 -10.125 1.00 0.00 O ATOM 121 CB LEU A 12 11.346 5.469 -9.516 1.00 0.00 C ATOM 122 CG LEU A 12 9.991 5.252 -8.841 1.00 0.00 C ATOM 123 CD1 LEU A 12 10.163 4.513 -7.523 1.00 0.00 C ATOM 124 CD2 LEU A 12 9.287 6.583 -8.621 1.00 0.00 C ATOM 0 H LEU A 12 10.247 4.798 -11.803 1.00 0.00 H new ATOM 0 HA LEU A 12 12.892 4.393 -10.552 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.101 5.589 -8.739 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.307 6.407 -10.071 1.00 0.00 H new ATOM 0 HG LEU A 12 9.373 4.640 -9.498 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.188 4.368 -7.057 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.625 3.543 -7.707 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.799 5.098 -6.858 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.324 6.410 -8.140 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.902 7.219 -7.984 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.130 7.074 -9.581 1.00 0.00 H new ATOM 136 N CYS A 13 12.324 2.353 -9.218 1.00 0.00 N ATOM 137 CA CYS A 13 12.062 1.041 -8.636 1.00 0.00 C ATOM 138 C CYS A 13 12.124 1.100 -7.113 1.00 0.00 C ATOM 139 O CYS A 13 12.935 1.829 -6.542 1.00 0.00 O ATOM 140 CB CYS A 13 13.070 0.017 -9.161 1.00 0.00 C ATOM 141 SG CYS A 13 12.949 -1.607 -8.376 1.00 0.00 S ATOM 0 H CYS A 13 13.261 2.715 -9.039 1.00 0.00 H new ATOM 0 HA CYS A 13 11.058 0.734 -8.929 1.00 0.00 H new ATOM 0 HB2 CYS A 13 12.928 -0.099 -10.235 1.00 0.00 H new ATOM 0 HB3 CYS A 13 14.077 0.406 -9.013 1.00 0.00 H new ATOM 0 HG CYS A 13 11.698 -1.904 -8.184 1.00 0.00 H new ATOM 147 N VAL A 14 11.261 0.328 -6.461 1.00 0.00 N ATOM 148 CA VAL A 14 11.217 0.292 -5.004 1.00 0.00 C ATOM 149 C VAL A 14 10.927 -1.117 -4.498 1.00 0.00 C ATOM 150 O VAL A 14 10.249 -1.901 -5.162 1.00 0.00 O ATOM 151 CB VAL A 14 10.149 1.254 -4.451 1.00 0.00 C ATOM 152 CG1 VAL A 14 10.550 2.699 -4.704 1.00 0.00 C ATOM 153 CG2 VAL A 14 8.791 0.952 -5.066 1.00 0.00 C ATOM 0 H VAL A 14 10.583 -0.281 -6.919 1.00 0.00 H new ATOM 0 HA VAL A 14 12.198 0.608 -4.650 1.00 0.00 H new ATOM 0 HB VAL A 14 10.074 1.107 -3.374 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.783 3.364 -4.307 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.500 2.905 -4.211 1.00 0.00 H new ATOM 0 HG13 VAL A 14 10.654 2.865 -5.776 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.048 1.641 -4.664 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.847 1.070 -6.148 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.503 -0.072 -4.827 1.00 0.00 H new ATOM 163 N LYS A 15 11.445 -1.433 -3.315 1.00 0.00 N ATOM 164 CA LYS A 15 11.242 -2.747 -2.717 1.00 0.00 C ATOM 165 C LYS A 15 10.037 -2.737 -1.781 1.00 0.00 C ATOM 166 O LYS A 15 10.058 -2.091 -0.733 1.00 0.00 O ATOM 167 CB LYS A 15 12.493 -3.180 -1.951 1.00 0.00 C ATOM 168 CG LYS A 15 13.524 -3.884 -2.817 1.00 0.00 C ATOM 169 CD LYS A 15 14.783 -4.211 -2.031 1.00 0.00 C ATOM 170 CE LYS A 15 15.668 -2.986 -1.863 1.00 0.00 C ATOM 171 NZ LYS A 15 16.295 -2.574 -3.149 1.00 0.00 N ATOM 0 H LYS A 15 12.009 -0.796 -2.752 1.00 0.00 H new ATOM 0 HA LYS A 15 11.051 -3.459 -3.520 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.952 -2.302 -1.496 1.00 0.00 H new ATOM 0 HB3 LYS A 15 12.199 -3.844 -1.138 1.00 0.00 H new ATOM 0 HG2 LYS A 15 13.096 -4.802 -3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.779 -3.252 -3.667 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.510 -4.601 -1.051 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.340 -4.996 -2.543 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.075 -2.161 -1.467 1.00 0.00 H new ATOM 0 HE3 LYS A 15 16.447 -3.198 -1.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 17.106 -1.951 -2.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 16.621 -3.418 -3.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.597 -2.065 -3.728 1.00 0.00 H new ATOM 185 N VAL A 16 8.989 -3.459 -2.165 1.00 0.00 N ATOM 186 CA VAL A 16 7.777 -3.536 -1.358 1.00 0.00 C ATOM 187 C VAL A 16 7.722 -4.841 -0.572 1.00 0.00 C ATOM 188 O VAL A 16 7.959 -5.917 -1.120 1.00 0.00 O ATOM 189 CB VAL A 16 6.514 -3.421 -2.232 1.00 0.00 C ATOM 190 CG1 VAL A 16 5.267 -3.363 -1.363 1.00 0.00 C ATOM 191 CG2 VAL A 16 6.601 -2.201 -3.136 1.00 0.00 C ATOM 0 H VAL A 16 8.955 -3.999 -3.030 1.00 0.00 H new ATOM 0 HA VAL A 16 7.806 -2.698 -0.662 1.00 0.00 H new ATOM 0 HB VAL A 16 6.448 -4.308 -2.862 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.385 -3.282 -1.998 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.200 -4.270 -0.762 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.322 -2.495 -0.705 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.700 -2.135 -3.746 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.692 -1.302 -2.526 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.473 -2.290 -3.784 1.00 0.00 H new ATOM 201 N GLU A 17 7.406 -4.738 0.715 1.00 0.00 N ATOM 202 CA GLU A 17 7.320 -5.911 1.576 1.00 0.00 C ATOM 203 C GLU A 17 6.011 -5.915 2.361 1.00 0.00 C ATOM 204 O GLU A 17 5.613 -4.899 2.931 1.00 0.00 O ATOM 205 CB GLU A 17 8.506 -5.951 2.542 1.00 0.00 C ATOM 206 CG GLU A 17 8.541 -7.195 3.413 1.00 0.00 C ATOM 207 CD GLU A 17 9.422 -7.027 4.636 1.00 0.00 C ATOM 208 OE1 GLU A 17 8.933 -6.483 5.648 1.00 0.00 O ATOM 209 OE2 GLU A 17 10.599 -7.439 4.580 1.00 0.00 O ATOM 0 H GLU A 17 7.205 -3.855 1.184 1.00 0.00 H new ATOM 0 HA GLU A 17 7.347 -6.797 0.942 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.432 -5.893 1.970 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.471 -5.070 3.183 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.528 -7.440 3.731 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.902 -8.037 2.823 1.00 0.00 H new ATOM 216 N PHE A 18 5.346 -7.065 2.385 1.00 0.00 N ATOM 217 CA PHE A 18 4.081 -7.202 3.097 1.00 0.00 C ATOM 218 C PHE A 18 4.225 -8.152 4.283 1.00 0.00 C ATOM 219 O PHE A 18 4.891 -9.182 4.190 1.00 0.00 O ATOM 220 CB PHE A 18 2.991 -7.710 2.151 1.00 0.00 C ATOM 221 CG PHE A 18 2.636 -6.734 1.067 1.00 0.00 C ATOM 222 CD1 PHE A 18 3.375 -6.680 -0.104 1.00 0.00 C ATOM 223 CD2 PHE A 18 1.563 -5.870 1.218 1.00 0.00 C ATOM 224 CE1 PHE A 18 3.051 -5.783 -1.105 1.00 0.00 C ATOM 225 CE2 PHE A 18 1.234 -4.971 0.221 1.00 0.00 C ATOM 226 CZ PHE A 18 1.979 -4.927 -0.941 1.00 0.00 C ATOM 0 H PHE A 18 5.662 -7.916 1.919 1.00 0.00 H new ATOM 0 HA PHE A 18 3.796 -6.220 3.473 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.323 -8.643 1.695 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.096 -7.939 2.730 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.214 -7.347 -0.236 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.977 -5.899 2.125 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.635 -5.752 -2.013 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.395 -4.303 0.351 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.724 -4.224 -1.721 1.00 0.00 H new ATOM 236 N GLY A 19 3.594 -7.797 5.398 1.00 0.00 N ATOM 237 CA GLY A 19 3.664 -8.628 6.586 1.00 0.00 C ATOM 238 C GLY A 19 2.302 -8.872 7.204 1.00 0.00 C ATOM 239 O GLY A 19 1.441 -7.993 7.195 1.00 0.00 O ATOM 0 H GLY A 19 3.036 -6.949 5.500 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.120 -9.584 6.330 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.313 -8.152 7.321 1.00 0.00 H new ATOM 243 N GLY A 20 2.104 -10.072 7.742 1.00 0.00 N ATOM 244 CA GLY A 20 0.834 -10.409 8.357 1.00 0.00 C ATOM 245 C GLY A 20 -0.052 -11.235 7.445 1.00 0.00 C ATOM 246 O GLY A 20 -1.277 -11.138 7.504 1.00 0.00 O ATOM 0 H GLY A 20 2.801 -10.817 7.763 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.016 -10.961 9.279 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.313 -9.492 8.632 1.00 0.00 H new ATOM 250 N GLY A 21 0.570 -12.050 6.598 1.00 0.00 N ATOM 251 CA GLY A 21 -0.185 -12.883 5.681 1.00 0.00 C ATOM 252 C GLY A 21 -0.599 -12.137 4.428 1.00 0.00 C ATOM 253 O GLY A 21 -0.884 -12.749 3.399 1.00 0.00 O ATOM 0 H GLY A 21 1.583 -12.148 6.531 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.416 -13.749 5.403 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.074 -13.261 6.186 1.00 0.00 H new ATOM 257 N ALA A 22 -0.634 -10.811 4.514 1.00 0.00 N ATOM 258 CA ALA A 22 -1.016 -9.981 3.378 1.00 0.00 C ATOM 259 C ALA A 22 -0.247 -10.380 2.124 1.00 0.00 C ATOM 260 O ALA A 22 -0.646 -10.047 1.008 1.00 0.00 O ATOM 261 CB ALA A 22 -0.785 -8.512 3.697 1.00 0.00 C ATOM 0 H ALA A 22 -0.402 -10.289 5.359 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.078 -10.137 3.186 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.074 -7.904 2.840 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.385 -8.229 4.562 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.270 -8.349 3.918 1.00 0.00 H new ATOM 267 N GLU A 23 0.858 -11.094 2.314 1.00 0.00 N ATOM 268 CA GLU A 23 1.684 -11.536 1.196 1.00 0.00 C ATOM 269 C GLU A 23 0.855 -12.327 0.188 1.00 0.00 C ATOM 270 O GLU A 23 1.058 -12.216 -1.022 1.00 0.00 O ATOM 271 CB GLU A 23 2.847 -12.392 1.700 1.00 0.00 C ATOM 272 CG GLU A 23 2.413 -13.725 2.286 1.00 0.00 C ATOM 273 CD GLU A 23 3.363 -14.230 3.355 1.00 0.00 C ATOM 274 OE1 GLU A 23 3.379 -13.648 4.459 1.00 0.00 O ATOM 275 OE2 GLU A 23 4.092 -15.209 3.085 1.00 0.00 O ATOM 0 H GLU A 23 1.202 -11.379 3.231 1.00 0.00 H new ATOM 0 HA GLU A 23 2.082 -10.652 0.699 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.537 -12.574 0.876 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.397 -11.833 2.458 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.415 -13.623 2.711 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.345 -14.464 1.487 1.00 0.00 H new ATOM 282 N LEU A 24 -0.078 -13.125 0.694 1.00 0.00 N ATOM 283 CA LEU A 24 -0.938 -13.935 -0.162 1.00 0.00 C ATOM 284 C LEU A 24 -1.648 -13.069 -1.197 1.00 0.00 C ATOM 285 O LEU A 24 -1.815 -13.470 -2.349 1.00 0.00 O ATOM 286 CB LEU A 24 -1.967 -14.689 0.683 1.00 0.00 C ATOM 287 CG LEU A 24 -1.407 -15.528 1.832 1.00 0.00 C ATOM 288 CD1 LEU A 24 -2.482 -15.789 2.875 1.00 0.00 C ATOM 289 CD2 LEU A 24 -0.840 -16.839 1.308 1.00 0.00 C ATOM 0 H LEU A 24 -0.259 -13.229 1.692 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.311 -14.655 -0.688 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.668 -13.965 1.097 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.537 -15.345 0.025 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.599 -14.969 2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.065 -16.387 3.685 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.841 -14.840 3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.311 -16.327 2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.446 -17.423 2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.628 -17.403 0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.039 -16.631 0.599 1.00 0.00 H new ATOM 301 N LEU A 25 -2.064 -11.879 -0.779 1.00 0.00 N ATOM 302 CA LEU A 25 -2.756 -10.953 -1.670 1.00 0.00 C ATOM 303 C LEU A 25 -1.843 -10.509 -2.808 1.00 0.00 C ATOM 304 O LEU A 25 -2.293 -9.894 -3.775 1.00 0.00 O ATOM 305 CB LEU A 25 -3.247 -9.733 -0.889 1.00 0.00 C ATOM 306 CG LEU A 25 -4.303 -10.003 0.183 1.00 0.00 C ATOM 307 CD1 LEU A 25 -4.179 -9.000 1.319 1.00 0.00 C ATOM 308 CD2 LEU A 25 -5.699 -9.957 -0.421 1.00 0.00 C ATOM 0 H LEU A 25 -1.934 -11.532 0.171 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.614 -11.472 -2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.387 -9.261 -0.413 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.654 -9.012 -1.598 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.136 -11.001 0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.939 -9.208 2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.190 -9.081 1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.320 -7.991 0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.438 -10.151 0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.876 -8.972 -0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.784 -10.715 -1.200 1.00 0.00 H new ATOM 320 N PHE A 26 -0.558 -10.827 -2.688 1.00 0.00 N ATOM 321 CA PHE A 26 0.419 -10.462 -3.707 1.00 0.00 C ATOM 322 C PHE A 26 1.317 -11.647 -4.049 1.00 0.00 C ATOM 323 O PHE A 26 2.420 -11.777 -3.518 1.00 0.00 O ATOM 324 CB PHE A 26 1.270 -9.284 -3.230 1.00 0.00 C ATOM 325 CG PHE A 26 0.459 -8.126 -2.721 1.00 0.00 C ATOM 326 CD1 PHE A 26 -0.131 -8.174 -1.469 1.00 0.00 C ATOM 327 CD2 PHE A 26 0.287 -6.990 -3.496 1.00 0.00 C ATOM 328 CE1 PHE A 26 -0.878 -7.110 -0.997 1.00 0.00 C ATOM 329 CE2 PHE A 26 -0.458 -5.923 -3.030 1.00 0.00 C ATOM 330 CZ PHE A 26 -1.042 -5.984 -1.780 1.00 0.00 C ATOM 0 H PHE A 26 -0.169 -11.337 -1.895 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.124 -10.169 -4.606 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.938 -9.625 -2.439 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.899 -8.943 -4.053 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.006 -9.053 -0.854 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.740 -6.938 -4.475 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.332 -7.159 -0.018 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.583 -5.043 -3.643 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.626 -5.152 -1.415 1.00 0.00 H new ATOM 340 N ASP A 27 0.837 -12.509 -4.939 1.00 0.00 N ATOM 341 CA ASP A 27 1.595 -13.684 -5.353 1.00 0.00 C ATOM 342 C ASP A 27 2.228 -14.373 -4.148 1.00 0.00 C ATOM 343 O ASP A 27 3.255 -15.040 -4.271 1.00 0.00 O ATOM 344 CB ASP A 27 2.678 -13.289 -6.358 1.00 0.00 C ATOM 345 CG ASP A 27 3.008 -14.411 -7.323 1.00 0.00 C ATOM 346 OD1 ASP A 27 2.203 -14.655 -8.247 1.00 0.00 O ATOM 347 OD2 ASP A 27 4.071 -15.044 -7.156 1.00 0.00 O ATOM 0 H ASP A 27 -0.074 -12.416 -5.388 1.00 0.00 H new ATOM 0 HA ASP A 27 0.907 -14.383 -5.828 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.347 -12.416 -6.920 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.581 -12.999 -5.820 1.00 0.00 H new ATOM 352 N GLY A 28 1.609 -14.208 -2.984 1.00 0.00 N ATOM 353 CA GLY A 28 2.127 -14.819 -1.774 1.00 0.00 C ATOM 354 C GLY A 28 3.639 -14.755 -1.694 1.00 0.00 C ATOM 355 O GLY A 28 4.317 -15.778 -1.790 1.00 0.00 O ATOM 0 H GLY A 28 0.757 -13.662 -2.857 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.699 -14.318 -0.906 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.808 -15.860 -1.731 1.00 0.00 H new ATOM 359 N VAL A 29 4.170 -13.549 -1.518 1.00 0.00 N ATOM 360 CA VAL A 29 5.612 -13.355 -1.426 1.00 0.00 C ATOM 361 C VAL A 29 5.960 -12.310 -0.371 1.00 0.00 C ATOM 362 O VAL A 29 5.190 -11.381 -0.125 1.00 0.00 O ATOM 363 CB VAL A 29 6.208 -12.921 -2.778 1.00 0.00 C ATOM 364 CG1 VAL A 29 7.645 -12.455 -2.604 1.00 0.00 C ATOM 365 CG2 VAL A 29 6.126 -14.058 -3.785 1.00 0.00 C ATOM 0 H VAL A 29 3.623 -12.692 -1.436 1.00 0.00 H new ATOM 0 HA VAL A 29 6.042 -14.315 -1.139 1.00 0.00 H new ATOM 0 HB VAL A 29 5.624 -12.084 -3.161 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.049 -12.152 -3.570 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.672 -11.608 -1.918 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.245 -13.270 -2.199 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.551 -13.734 -4.735 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.684 -14.916 -3.411 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.083 -14.340 -3.932 1.00 0.00 H new ATOM 375 N LYS A 30 7.124 -12.468 0.249 1.00 0.00 N ATOM 376 CA LYS A 30 7.576 -11.537 1.276 1.00 0.00 C ATOM 377 C LYS A 30 8.025 -10.218 0.657 1.00 0.00 C ATOM 378 O LYS A 30 7.511 -9.153 0.999 1.00 0.00 O ATOM 379 CB LYS A 30 8.725 -12.152 2.080 1.00 0.00 C ATOM 380 CG LYS A 30 8.426 -13.549 2.596 1.00 0.00 C ATOM 381 CD LYS A 30 9.691 -14.382 2.713 1.00 0.00 C ATOM 382 CE LYS A 30 10.122 -14.934 1.362 1.00 0.00 C ATOM 383 NZ LYS A 30 11.362 -15.752 1.467 1.00 0.00 N ATOM 0 H LYS A 30 7.772 -13.232 0.058 1.00 0.00 H new ATOM 0 HA LYS A 30 6.738 -11.337 1.944 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.617 -12.188 1.454 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.954 -11.503 2.925 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.942 -13.482 3.570 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.724 -14.044 1.924 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.492 -13.772 3.130 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.523 -15.206 3.407 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.319 -15.543 0.946 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.289 -14.109 0.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.623 -16.110 0.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.135 -15.165 1.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.196 -16.554 2.108 1.00 0.00 H new ATOM 397 N LYS A 31 8.985 -10.295 -0.258 1.00 0.00 N ATOM 398 CA LYS A 31 9.502 -9.108 -0.929 1.00 0.00 C ATOM 399 C LYS A 31 9.051 -9.066 -2.385 1.00 0.00 C ATOM 400 O LYS A 31 9.044 -10.087 -3.073 1.00 0.00 O ATOM 401 CB LYS A 31 11.030 -9.080 -0.856 1.00 0.00 C ATOM 402 CG LYS A 31 11.567 -8.622 0.489 1.00 0.00 C ATOM 403 CD LYS A 31 13.075 -8.442 0.455 1.00 0.00 C ATOM 404 CE LYS A 31 13.636 -8.171 1.843 1.00 0.00 C ATOM 405 NZ LYS A 31 14.000 -9.431 2.549 1.00 0.00 N ATOM 0 H LYS A 31 9.422 -11.169 -0.552 1.00 0.00 H new ATOM 0 HA LYS A 31 9.104 -8.231 -0.419 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.414 -10.077 -1.070 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.410 -8.418 -1.634 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.094 -7.681 0.770 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.304 -9.352 1.255 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.540 -9.337 0.042 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.329 -7.616 -0.209 1.00 0.00 H new ATOM 0 HE2 LYS A 31 14.516 -7.533 1.761 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.900 -7.624 2.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.378 -9.204 3.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.155 -10.029 2.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.721 -9.941 2.000 1.00 0.00 H new ATOM 419 N HIS A 32 8.675 -7.879 -2.850 1.00 0.00 N ATOM 420 CA HIS A 32 8.224 -7.704 -4.226 1.00 0.00 C ATOM 421 C HIS A 32 8.896 -6.494 -4.868 1.00 0.00 C ATOM 422 O HIS A 32 8.747 -5.367 -4.396 1.00 0.00 O ATOM 423 CB HIS A 32 6.705 -7.541 -4.270 1.00 0.00 C ATOM 424 CG HIS A 32 5.983 -8.372 -3.254 1.00 0.00 C ATOM 425 ND1 HIS A 32 5.261 -9.500 -3.579 1.00 0.00 N ATOM 426 CD2 HIS A 32 5.878 -8.233 -1.911 1.00 0.00 C ATOM 427 CE1 HIS A 32 4.741 -10.019 -2.481 1.00 0.00 C ATOM 428 NE2 HIS A 32 5.100 -9.269 -1.455 1.00 0.00 N ATOM 0 H HIS A 32 8.674 -7.024 -2.294 1.00 0.00 H new ATOM 0 HA HIS A 32 8.503 -8.594 -4.790 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.456 -6.492 -4.112 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.348 -7.807 -5.265 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.323 -7.453 -1.311 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.127 -10.906 -2.431 1.00 0.00 H new ATOM 0 HE2 HIS A 32 4.841 -9.433 -0.482 1.00 0.00 H new ATOM 437 N GLN A 33 9.635 -6.736 -5.946 1.00 0.00 N ATOM 438 CA GLN A 33 10.331 -5.666 -6.651 1.00 0.00 C ATOM 439 C GLN A 33 9.372 -4.894 -7.551 1.00 0.00 C ATOM 440 O GLN A 33 8.768 -5.460 -8.462 1.00 0.00 O ATOM 441 CB GLN A 33 11.481 -6.238 -7.482 1.00 0.00 C ATOM 442 CG GLN A 33 12.734 -6.525 -6.670 1.00 0.00 C ATOM 443 CD GLN A 33 13.606 -7.592 -7.302 1.00 0.00 C ATOM 444 OE1 GLN A 33 13.307 -8.093 -8.386 1.00 0.00 O ATOM 445 NE2 GLN A 33 14.693 -7.945 -6.626 1.00 0.00 N ATOM 0 H GLN A 33 9.767 -7.663 -6.350 1.00 0.00 H new ATOM 0 HA GLN A 33 10.736 -4.979 -5.908 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.149 -7.159 -7.961 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.727 -5.536 -8.279 1.00 0.00 H new ATOM 0 HG2 GLN A 33 13.311 -5.606 -6.562 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.448 -6.842 -5.667 1.00 0.00 H new ATOM 0 HE21 GLN A 33 14.903 -7.504 -5.731 1.00 0.00 H new ATOM 0 HE22 GLN A 33 15.318 -8.658 -7.002 1.00 0.00 H new ATOM 454 N VAL A 34 9.236 -3.598 -7.289 1.00 0.00 N ATOM 455 CA VAL A 34 8.351 -2.748 -8.076 1.00 0.00 C ATOM 456 C VAL A 34 9.146 -1.761 -8.922 1.00 0.00 C ATOM 457 O VAL A 34 10.142 -1.199 -8.467 1.00 0.00 O ATOM 458 CB VAL A 34 7.376 -1.966 -7.175 1.00 0.00 C ATOM 459 CG1 VAL A 34 6.431 -1.123 -8.016 1.00 0.00 C ATOM 460 CG2 VAL A 34 6.600 -2.918 -6.278 1.00 0.00 C ATOM 0 H VAL A 34 9.728 -3.114 -6.538 1.00 0.00 H new ATOM 0 HA VAL A 34 7.780 -3.406 -8.731 1.00 0.00 H new ATOM 0 HB VAL A 34 7.954 -1.295 -6.540 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.750 -0.578 -7.362 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.007 -0.415 -8.611 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.857 -1.771 -8.678 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.916 -2.349 -5.648 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.031 -3.615 -6.893 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.296 -3.473 -5.649 1.00 0.00 H new ATOM 470 N ALA A 35 8.699 -1.553 -10.157 1.00 0.00 N ATOM 471 CA ALA A 35 9.368 -0.632 -11.067 1.00 0.00 C ATOM 472 C ALA A 35 8.364 0.294 -11.745 1.00 0.00 C ATOM 473 O ALA A 35 7.791 -0.046 -12.781 1.00 0.00 O ATOM 474 CB ALA A 35 10.165 -1.403 -12.108 1.00 0.00 C ATOM 0 H ALA A 35 7.876 -2.010 -10.550 1.00 0.00 H new ATOM 0 HA ALA A 35 10.054 -0.018 -10.484 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.659 -0.702 -12.781 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.915 -2.018 -11.610 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.493 -2.043 -12.680 1.00 0.00 H new ATOM 480 N LEU A 36 8.155 1.466 -11.155 1.00 0.00 N ATOM 481 CA LEU A 36 7.219 2.442 -11.703 1.00 0.00 C ATOM 482 C LEU A 36 7.761 3.053 -12.991 1.00 0.00 C ATOM 483 O LEU A 36 8.967 3.227 -13.165 1.00 0.00 O ATOM 484 CB LEU A 36 6.943 3.544 -10.679 1.00 0.00 C ATOM 485 CG LEU A 36 6.752 3.084 -9.233 1.00 0.00 C ATOM 486 CD1 LEU A 36 6.722 4.279 -8.293 1.00 0.00 C ATOM 487 CD2 LEU A 36 5.476 2.265 -9.099 1.00 0.00 C ATOM 0 H LEU A 36 8.621 1.763 -10.298 1.00 0.00 H new ATOM 0 HA LEU A 36 6.287 1.926 -11.932 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.770 4.254 -10.707 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.048 4.084 -10.989 1.00 0.00 H new ATOM 0 HG LEU A 36 7.596 2.452 -8.957 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.585 3.933 -7.269 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.662 4.825 -8.369 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.897 4.937 -8.567 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.356 1.946 -8.064 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.621 2.873 -9.393 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.537 1.389 -9.744 1.00 0.00 H new ATOM 499 N PRO A 37 6.850 3.389 -13.916 1.00 0.00 N ATOM 500 CA PRO A 37 7.213 3.989 -15.204 1.00 0.00 C ATOM 501 C PRO A 37 7.730 5.415 -15.053 1.00 0.00 C ATOM 502 O PRO A 37 8.040 5.861 -13.949 1.00 0.00 O ATOM 503 CB PRO A 37 5.896 3.977 -15.984 1.00 0.00 C ATOM 504 CG PRO A 37 4.836 3.984 -14.938 1.00 0.00 C ATOM 505 CD PRO A 37 5.395 3.210 -13.776 1.00 0.00 C ATOM 0 HA PRO A 37 8.020 3.445 -15.695 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.814 4.847 -16.636 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.820 3.094 -16.619 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.585 5.003 -14.644 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.920 3.524 -15.308 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.032 3.597 -12.824 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.113 2.158 -13.821 1.00 0.00 H new ATOM 513 N GLY A 38 7.821 6.128 -16.172 1.00 0.00 N ATOM 514 CA GLY A 38 8.301 7.497 -16.142 1.00 0.00 C ATOM 515 C GLY A 38 7.299 8.476 -16.723 1.00 0.00 C ATOM 516 O GLY A 38 6.728 8.231 -17.785 1.00 0.00 O ATOM 0 H GLY A 38 7.571 5.782 -17.098 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.524 7.778 -15.113 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.235 7.564 -16.700 1.00 0.00 H new ATOM 520 N GLN A 39 7.085 9.585 -16.023 1.00 0.00 N ATOM 521 CA GLN A 39 6.143 10.603 -16.475 1.00 0.00 C ATOM 522 C GLN A 39 6.502 11.970 -15.903 1.00 0.00 C ATOM 523 O GLN A 39 7.445 12.098 -15.123 1.00 0.00 O ATOM 524 CB GLN A 39 4.718 10.225 -16.068 1.00 0.00 C ATOM 525 CG GLN A 39 4.596 9.783 -14.618 1.00 0.00 C ATOM 526 CD GLN A 39 3.202 9.989 -14.060 1.00 0.00 C ATOM 527 OE1 GLN A 39 2.285 10.388 -14.780 1.00 0.00 O ATOM 528 NE2 GLN A 39 3.033 9.717 -12.772 1.00 0.00 N ATOM 0 H GLN A 39 7.550 9.802 -15.142 1.00 0.00 H new ATOM 0 HA GLN A 39 6.201 10.658 -17.562 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.063 11.080 -16.235 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.365 9.422 -16.715 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.862 8.729 -14.540 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.312 10.338 -14.012 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.820 9.389 -12.213 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.116 9.836 -12.342 1.00 0.00 H new ATOM 537 N GLU A 40 5.745 12.989 -16.297 1.00 0.00 N ATOM 538 CA GLU A 40 5.985 14.347 -15.823 1.00 0.00 C ATOM 539 C GLU A 40 5.725 14.454 -14.324 1.00 0.00 C ATOM 540 O GLU A 40 6.404 15.200 -13.618 1.00 0.00 O ATOM 541 CB GLU A 40 5.097 15.339 -16.578 1.00 0.00 C ATOM 542 CG GLU A 40 5.708 15.835 -17.878 1.00 0.00 C ATOM 543 CD GLU A 40 6.897 16.749 -17.652 1.00 0.00 C ATOM 544 OE1 GLU A 40 6.700 17.858 -17.112 1.00 0.00 O ATOM 545 OE2 GLU A 40 8.025 16.355 -18.015 1.00 0.00 O ATOM 0 H GLU A 40 4.961 12.900 -16.943 1.00 0.00 H new ATOM 0 HA GLU A 40 7.031 14.590 -16.011 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.139 14.865 -16.794 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.892 16.194 -15.933 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.020 14.980 -18.478 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.949 16.367 -18.452 1.00 0.00 H new ATOM 552 N GLU A 41 4.738 13.704 -13.845 1.00 0.00 N ATOM 553 CA GLU A 41 4.388 13.716 -12.429 1.00 0.00 C ATOM 554 C GLU A 41 5.047 12.551 -11.696 1.00 0.00 C ATOM 555 O GLU A 41 4.972 11.397 -12.117 1.00 0.00 O ATOM 556 CB GLU A 41 2.869 13.648 -12.256 1.00 0.00 C ATOM 557 CG GLU A 41 2.172 14.981 -12.468 1.00 0.00 C ATOM 558 CD GLU A 41 0.711 14.822 -12.844 1.00 0.00 C ATOM 559 OE1 GLU A 41 0.420 14.050 -13.781 1.00 0.00 O ATOM 560 OE2 GLU A 41 -0.140 15.471 -12.200 1.00 0.00 O ATOM 0 H GLU A 41 4.167 13.081 -14.416 1.00 0.00 H new ATOM 0 HA GLU A 41 4.754 14.648 -11.998 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.464 12.920 -12.959 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.642 13.284 -11.254 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.246 15.575 -11.557 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.687 15.535 -13.253 1.00 0.00 H new ATOM 567 N PRO A 42 5.709 12.860 -10.571 1.00 0.00 N ATOM 568 CA PRO A 42 6.395 11.854 -9.754 1.00 0.00 C ATOM 569 C PRO A 42 5.420 10.924 -9.041 1.00 0.00 C ATOM 570 O PRO A 42 4.320 11.331 -8.666 1.00 0.00 O ATOM 571 CB PRO A 42 7.174 12.693 -8.738 1.00 0.00 C ATOM 572 CG PRO A 42 6.416 13.972 -8.642 1.00 0.00 C ATOM 573 CD PRO A 42 5.839 14.215 -10.009 1.00 0.00 C ATOM 0 HA PRO A 42 7.023 11.199 -10.357 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.230 12.193 -7.771 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.199 12.864 -9.068 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.628 13.903 -7.892 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.070 14.791 -8.343 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.875 14.721 -9.954 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.494 14.841 -10.616 1.00 0.00 H new ATOM 581 N TRP A 43 5.830 9.674 -8.857 1.00 0.00 N ATOM 582 CA TRP A 43 4.991 8.686 -8.188 1.00 0.00 C ATOM 583 C TRP A 43 4.869 8.994 -6.699 1.00 0.00 C ATOM 584 O TRP A 43 5.874 9.147 -6.004 1.00 0.00 O ATOM 585 CB TRP A 43 5.565 7.282 -8.386 1.00 0.00 C ATOM 586 CG TRP A 43 5.183 6.663 -9.696 1.00 0.00 C ATOM 587 CD1 TRP A 43 5.827 6.812 -10.891 1.00 0.00 C ATOM 588 CD2 TRP A 43 4.067 5.801 -9.944 1.00 0.00 C ATOM 589 NE1 TRP A 43 5.179 6.093 -11.867 1.00 0.00 N ATOM 590 CE2 TRP A 43 4.097 5.463 -11.311 1.00 0.00 C ATOM 591 CE3 TRP A 43 3.048 5.279 -9.143 1.00 0.00 C ATOM 592 CZ2 TRP A 43 3.146 4.629 -11.892 1.00 0.00 C ATOM 593 CZ3 TRP A 43 2.104 4.452 -9.722 1.00 0.00 C ATOM 594 CH2 TRP A 43 2.159 4.133 -11.085 1.00 0.00 C ATOM 0 H TRP A 43 6.737 9.321 -9.161 1.00 0.00 H new ATOM 0 HA TRP A 43 3.996 8.730 -8.631 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.652 7.329 -8.318 1.00 0.00 H new ATOM 0 HB3 TRP A 43 5.222 6.639 -7.575 1.00 0.00 H new ATOM 0 HD1 TRP A 43 6.715 7.407 -11.046 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.458 6.038 -12.846 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.999 5.517 -8.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.186 4.382 -12.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.310 4.045 -9.113 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.407 3.483 -11.507 1.00 0.00 H new ATOM 605 N ASP A 44 3.635 9.082 -6.217 1.00 0.00 N ATOM 606 CA ASP A 44 3.383 9.370 -4.810 1.00 0.00 C ATOM 607 C ASP A 44 2.528 8.277 -4.176 1.00 0.00 C ATOM 608 O ASP A 44 1.805 7.561 -4.869 1.00 0.00 O ATOM 609 CB ASP A 44 2.692 10.727 -4.661 1.00 0.00 C ATOM 610 CG ASP A 44 3.086 11.700 -5.754 1.00 0.00 C ATOM 611 OD1 ASP A 44 4.226 11.601 -6.254 1.00 0.00 O ATOM 612 OD2 ASP A 44 2.255 12.562 -6.109 1.00 0.00 O ATOM 0 H ASP A 44 2.793 8.958 -6.780 1.00 0.00 H new ATOM 0 HA ASP A 44 4.342 9.401 -4.293 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.611 10.585 -4.677 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.943 11.155 -3.690 1.00 0.00 H new ATOM 617 N ILE A 45 2.616 8.155 -2.856 1.00 0.00 N ATOM 618 CA ILE A 45 1.850 7.150 -2.129 1.00 0.00 C ATOM 619 C ILE A 45 0.471 6.954 -2.751 1.00 0.00 C ATOM 620 O ILE A 45 0.166 5.889 -3.287 1.00 0.00 O ATOM 621 CB ILE A 45 1.683 7.532 -0.647 1.00 0.00 C ATOM 622 CG1 ILE A 45 3.052 7.679 0.022 1.00 0.00 C ATOM 623 CG2 ILE A 45 0.843 6.491 0.077 1.00 0.00 C ATOM 624 CD1 ILE A 45 3.799 6.371 0.162 1.00 0.00 C ATOM 0 H ILE A 45 3.210 8.740 -2.268 1.00 0.00 H new ATOM 0 HA ILE A 45 2.411 6.218 -2.194 1.00 0.00 H new ATOM 0 HB ILE A 45 1.167 8.490 -0.590 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.658 8.374 -0.559 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.919 8.120 1.010 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.734 6.775 1.124 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.141 6.431 -0.387 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.334 5.520 0.014 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.760 6.551 0.644 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.213 5.680 0.768 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.963 5.938 -0.825 1.00 0.00 H new ATOM 636 N ARG A 46 -0.358 7.990 -2.676 1.00 0.00 N ATOM 637 CA ARG A 46 -1.705 7.932 -3.231 1.00 0.00 C ATOM 638 C ARG A 46 -1.727 7.112 -4.517 1.00 0.00 C ATOM 639 O ARG A 46 -2.629 6.303 -4.733 1.00 0.00 O ATOM 640 CB ARG A 46 -2.227 9.344 -3.504 1.00 0.00 C ATOM 641 CG ARG A 46 -1.354 10.143 -4.458 1.00 0.00 C ATOM 642 CD ARG A 46 -1.869 11.564 -4.627 1.00 0.00 C ATOM 643 NE ARG A 46 -1.925 12.280 -3.356 1.00 0.00 N ATOM 644 CZ ARG A 46 -2.958 12.221 -2.523 1.00 0.00 C ATOM 645 NH1 ARG A 46 -4.017 11.483 -2.827 1.00 0.00 N ATOM 646 NH2 ARG A 46 -2.934 12.902 -1.385 1.00 0.00 N ATOM 0 H ARG A 46 -0.121 8.879 -2.236 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.353 7.447 -2.500 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.234 9.276 -3.916 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.305 9.882 -2.559 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.331 10.168 -4.082 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.325 9.647 -5.428 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.223 12.104 -5.319 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.863 11.539 -5.073 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.127 12.858 -3.093 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.039 10.959 -3.702 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.809 11.439 -2.186 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.122 13.472 -1.149 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.728 12.856 -0.746 1.00 0.00 H new ATOM 660 N ASN A 47 -0.730 7.328 -5.369 1.00 0.00 N ATOM 661 CA ASN A 47 -0.636 6.610 -6.634 1.00 0.00 C ATOM 662 C ASN A 47 -0.115 5.192 -6.418 1.00 0.00 C ATOM 663 O ASN A 47 -0.750 4.217 -6.822 1.00 0.00 O ATOM 664 CB ASN A 47 0.281 7.359 -7.603 1.00 0.00 C ATOM 665 CG ASN A 47 0.185 8.864 -7.442 1.00 0.00 C ATOM 666 OD1 ASN A 47 1.176 9.532 -7.149 1.00 0.00 O ATOM 667 ND2 ASN A 47 -1.013 9.404 -7.633 1.00 0.00 N ATOM 0 H ASN A 47 0.024 7.995 -5.206 1.00 0.00 H new ATOM 0 HA ASN A 47 -1.636 6.550 -7.063 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.312 7.044 -7.441 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.022 7.088 -8.627 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.139 10.412 -7.538 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.807 8.811 -7.875 1.00 0.00 H new ATOM 674 N LEU A 48 1.044 5.085 -5.777 1.00 0.00 N ATOM 675 CA LEU A 48 1.651 3.786 -5.505 1.00 0.00 C ATOM 676 C LEU A 48 0.584 2.740 -5.198 1.00 0.00 C ATOM 677 O LEU A 48 0.651 1.609 -5.682 1.00 0.00 O ATOM 678 CB LEU A 48 2.629 3.894 -4.334 1.00 0.00 C ATOM 679 CG LEU A 48 3.796 2.906 -4.342 1.00 0.00 C ATOM 680 CD1 LEU A 48 4.737 3.202 -5.499 1.00 0.00 C ATOM 681 CD2 LEU A 48 4.544 2.955 -3.017 1.00 0.00 C ATOM 0 H LEU A 48 1.582 5.882 -5.436 1.00 0.00 H new ATOM 0 HA LEU A 48 2.194 3.472 -6.396 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.035 4.905 -4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.071 3.760 -3.407 1.00 0.00 H new ATOM 0 HG LEU A 48 3.396 1.901 -4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.561 2.489 -5.489 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.194 3.116 -6.440 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.131 4.213 -5.398 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.371 2.246 -3.040 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.932 3.961 -2.855 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.865 2.694 -2.206 1.00 0.00 H new ATOM 693 N LEU A 49 -0.400 3.125 -4.394 1.00 0.00 N ATOM 694 CA LEU A 49 -1.484 2.221 -4.024 1.00 0.00 C ATOM 695 C LEU A 49 -2.099 1.574 -5.261 1.00 0.00 C ATOM 696 O LEU A 49 -2.088 0.351 -5.405 1.00 0.00 O ATOM 697 CB LEU A 49 -2.559 2.976 -3.241 1.00 0.00 C ATOM 698 CG LEU A 49 -2.391 3.000 -1.721 1.00 0.00 C ATOM 699 CD1 LEU A 49 -2.068 1.609 -1.198 1.00 0.00 C ATOM 700 CD2 LEU A 49 -1.305 3.988 -1.321 1.00 0.00 C ATOM 0 H LEU A 49 -0.470 4.057 -3.985 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.069 1.434 -3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.586 4.005 -3.600 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.527 2.532 -3.472 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.331 3.324 -1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.952 1.645 -0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.879 0.927 -1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.141 1.256 -1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.199 3.992 -0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.360 3.694 -1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.578 4.986 -1.663 1.00 0.00 H new ATOM 712 N VAL A 50 -2.634 2.402 -6.152 1.00 0.00 N ATOM 713 CA VAL A 50 -3.250 1.911 -7.379 1.00 0.00 C ATOM 714 C VAL A 50 -2.441 0.768 -7.981 1.00 0.00 C ATOM 715 O VAL A 50 -2.850 -0.392 -7.926 1.00 0.00 O ATOM 716 CB VAL A 50 -3.391 3.033 -8.424 1.00 0.00 C ATOM 717 CG1 VAL A 50 -4.052 2.505 -9.688 1.00 0.00 C ATOM 718 CG2 VAL A 50 -4.178 4.201 -7.849 1.00 0.00 C ATOM 0 H VAL A 50 -2.653 3.416 -6.047 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.242 1.548 -7.112 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.395 3.390 -8.685 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.143 3.312 -10.415 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.444 1.704 -10.109 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.043 2.120 -9.447 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.268 4.985 -8.601 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.172 3.862 -7.558 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.659 4.595 -6.975 1.00 0.00 H new ATOM 728 N TRP A 51 -1.292 1.103 -8.556 1.00 0.00 N ATOM 729 CA TRP A 51 -0.424 0.104 -9.169 1.00 0.00 C ATOM 730 C TRP A 51 -0.317 -1.137 -8.289 1.00 0.00 C ATOM 731 O TRP A 51 -0.650 -2.242 -8.717 1.00 0.00 O ATOM 732 CB TRP A 51 0.967 0.690 -9.417 1.00 0.00 C ATOM 733 CG TRP A 51 1.837 -0.185 -10.267 1.00 0.00 C ATOM 734 CD1 TRP A 51 2.052 -0.070 -11.611 1.00 0.00 C ATOM 735 CD2 TRP A 51 2.607 -1.310 -9.831 1.00 0.00 C ATOM 736 NE1 TRP A 51 2.909 -1.056 -12.036 1.00 0.00 N ATOM 737 CE2 TRP A 51 3.265 -1.830 -10.963 1.00 0.00 C ATOM 738 CE3 TRP A 51 2.807 -1.929 -8.593 1.00 0.00 C ATOM 739 CZ2 TRP A 51 4.106 -2.937 -10.892 1.00 0.00 C ATOM 740 CZ3 TRP A 51 3.642 -3.028 -8.525 1.00 0.00 C ATOM 741 CH2 TRP A 51 4.283 -3.523 -9.668 1.00 0.00 C ATOM 0 H TRP A 51 -0.940 2.059 -8.611 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.863 -0.187 -10.123 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.863 1.663 -9.897 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.459 0.858 -8.459 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.613 0.685 -12.246 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.229 -1.190 -12.995 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.318 -1.555 -7.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.601 -3.320 -11.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.803 -3.514 -7.574 1.00 0.00 H new ATOM 0 HH2 TRP A 51 4.929 -4.384 -9.582 1.00 0.00 H new ATOM 752 N ILE A 52 0.150 -0.947 -7.060 1.00 0.00 N ATOM 753 CA ILE A 52 0.300 -2.052 -6.121 1.00 0.00 C ATOM 754 C ILE A 52 -1.028 -2.767 -5.898 1.00 0.00 C ATOM 755 O ILE A 52 -1.061 -3.923 -5.474 1.00 0.00 O ATOM 756 CB ILE A 52 0.843 -1.567 -4.764 1.00 0.00 C ATOM 757 CG1 ILE A 52 2.224 -0.934 -4.939 1.00 0.00 C ATOM 758 CG2 ILE A 52 0.905 -2.722 -3.775 1.00 0.00 C ATOM 759 CD1 ILE A 52 2.743 -0.258 -3.689 1.00 0.00 C ATOM 0 H ILE A 52 0.431 -0.039 -6.691 1.00 0.00 H new ATOM 0 HA ILE A 52 1.015 -2.747 -6.562 1.00 0.00 H new ATOM 0 HB ILE A 52 0.165 -0.811 -4.368 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.931 -1.704 -5.246 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.180 -0.203 -5.746 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.291 -2.364 -2.821 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.095 -3.132 -3.631 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.563 -3.499 -4.164 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.726 0.168 -3.887 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.057 0.535 -3.393 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.820 -0.990 -2.885 1.00 0.00 H new ATOM 771 N LYS A 53 -2.124 -2.074 -6.189 1.00 0.00 N ATOM 772 CA LYS A 53 -3.456 -2.643 -6.024 1.00 0.00 C ATOM 773 C LYS A 53 -3.903 -3.359 -7.295 1.00 0.00 C ATOM 774 O LYS A 53 -4.762 -4.240 -7.254 1.00 0.00 O ATOM 775 CB LYS A 53 -4.461 -1.545 -5.664 1.00 0.00 C ATOM 776 CG LYS A 53 -4.452 -1.172 -4.192 1.00 0.00 C ATOM 777 CD LYS A 53 -5.568 -0.196 -3.858 1.00 0.00 C ATOM 778 CE LYS A 53 -6.925 -0.884 -3.850 1.00 0.00 C ATOM 779 NZ LYS A 53 -8.018 0.050 -3.460 1.00 0.00 N ATOM 0 H LYS A 53 -2.116 -1.117 -6.541 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.415 -3.370 -5.213 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.244 -0.656 -6.257 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.462 -1.876 -5.940 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.561 -2.072 -3.587 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.490 -0.729 -3.934 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.381 0.253 -2.883 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.574 0.615 -4.586 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.131 -1.292 -4.840 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.902 -1.725 -3.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.477 -0.296 -2.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.621 0.996 -3.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.720 0.103 -4.226 1.00 0.00 H new ATOM 793 N LYS A 54 -3.314 -2.976 -8.422 1.00 0.00 N ATOM 794 CA LYS A 54 -3.649 -3.583 -9.705 1.00 0.00 C ATOM 795 C LYS A 54 -2.552 -4.541 -10.156 1.00 0.00 C ATOM 796 O LYS A 54 -2.775 -5.746 -10.269 1.00 0.00 O ATOM 797 CB LYS A 54 -3.862 -2.500 -10.765 1.00 0.00 C ATOM 798 CG LYS A 54 -5.206 -1.799 -10.658 1.00 0.00 C ATOM 799 CD LYS A 54 -5.376 -1.124 -9.307 1.00 0.00 C ATOM 800 CE LYS A 54 -6.752 -0.492 -9.170 1.00 0.00 C ATOM 801 NZ LYS A 54 -6.971 0.070 -7.808 1.00 0.00 N ATOM 0 H LYS A 54 -2.602 -2.248 -8.473 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.573 -4.148 -9.581 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.067 -1.759 -10.680 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.774 -2.949 -11.754 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.294 -1.056 -11.451 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.008 -2.522 -10.808 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.230 -1.856 -8.512 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.609 -0.360 -9.182 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.864 0.299 -9.912 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.517 -1.239 -9.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.920 0.492 -7.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.889 -0.689 -7.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.256 0.801 -7.615 1.00 0.00 H new ATOM 815 N ASN A 55 -1.366 -3.998 -10.412 1.00 0.00 N ATOM 816 CA ASN A 55 -0.233 -4.806 -10.850 1.00 0.00 C ATOM 817 C ASN A 55 0.127 -5.852 -9.799 1.00 0.00 C ATOM 818 O ASN A 55 -0.172 -7.036 -9.957 1.00 0.00 O ATOM 819 CB ASN A 55 0.977 -3.914 -11.134 1.00 0.00 C ATOM 820 CG ASN A 55 0.812 -3.105 -12.407 1.00 0.00 C ATOM 821 OD1 ASN A 55 -0.013 -2.067 -12.345 1.00 0.00 O flip ATOM 822 ND2 ASN A 55 1.420 -3.411 -13.433 1.00 0.00 N flip ATOM 0 H ASN A 55 -1.164 -3.002 -10.324 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.519 -5.321 -11.767 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.131 -3.237 -10.294 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.871 -4.533 -11.213 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.044 -4.218 -13.435 1.00 0.00 H new ATOM 0 HD22 ASN A 55 1.299 -2.858 -14.281 1.00 0.00 H new ATOM 829 N LEU A 56 0.772 -5.406 -8.726 1.00 0.00 N ATOM 830 CA LEU A 56 1.173 -6.303 -7.648 1.00 0.00 C ATOM 831 C LEU A 56 -0.022 -7.091 -7.121 1.00 0.00 C ATOM 832 O LEU A 56 -0.079 -8.315 -7.252 1.00 0.00 O ATOM 833 CB LEU A 56 1.816 -5.508 -6.509 1.00 0.00 C ATOM 834 CG LEU A 56 2.878 -6.244 -5.693 1.00 0.00 C ATOM 835 CD1 LEU A 56 4.199 -6.281 -6.446 1.00 0.00 C ATOM 836 CD2 LEU A 56 3.056 -5.586 -4.332 1.00 0.00 C ATOM 0 H LEU A 56 1.028 -4.430 -8.580 1.00 0.00 H new ATOM 0 HA LEU A 56 1.902 -7.008 -8.048 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.268 -4.610 -6.930 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.028 -5.181 -5.831 1.00 0.00 H new ATOM 0 HG LEU A 56 2.543 -7.270 -5.537 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.943 -6.809 -5.850 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.062 -6.798 -7.396 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.540 -5.263 -6.633 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.816 -6.123 -3.765 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.368 -4.550 -4.467 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.111 -5.612 -3.789 1.00 0.00 H new ATOM 848 N LEU A 57 -0.976 -6.383 -6.527 1.00 0.00 N ATOM 849 CA LEU A 57 -2.172 -7.016 -5.983 1.00 0.00 C ATOM 850 C LEU A 57 -2.996 -7.666 -7.090 1.00 0.00 C ATOM 851 O LEU A 57 -3.252 -7.056 -8.128 1.00 0.00 O ATOM 852 CB LEU A 57 -3.022 -5.987 -5.236 1.00 0.00 C ATOM 853 CG LEU A 57 -4.300 -6.517 -4.584 1.00 0.00 C ATOM 854 CD1 LEU A 57 -3.964 -7.481 -3.457 1.00 0.00 C ATOM 855 CD2 LEU A 57 -5.153 -5.368 -4.069 1.00 0.00 C ATOM 0 H LEU A 57 -0.945 -5.370 -6.410 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.857 -7.793 -5.286 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.406 -5.530 -4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.295 -5.196 -5.934 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.872 -7.057 -5.338 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.886 -7.848 -3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.395 -8.322 -3.855 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.370 -6.966 -2.702 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.058 -5.765 -3.609 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.589 -4.799 -3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.424 -4.716 -4.899 1.00 0.00 H new ATOM 867 N LYS A 58 -3.411 -8.907 -6.860 1.00 0.00 N ATOM 868 CA LYS A 58 -4.210 -9.640 -7.835 1.00 0.00 C ATOM 869 C LYS A 58 -5.493 -10.168 -7.202 1.00 0.00 C ATOM 870 O LYS A 58 -6.318 -10.786 -7.873 1.00 0.00 O ATOM 871 CB LYS A 58 -3.401 -10.801 -8.418 1.00 0.00 C ATOM 872 CG LYS A 58 -2.377 -10.370 -9.454 1.00 0.00 C ATOM 873 CD LYS A 58 -3.040 -9.973 -10.762 1.00 0.00 C ATOM 874 CE LYS A 58 -2.130 -10.240 -11.952 1.00 0.00 C ATOM 875 NZ LYS A 58 -2.482 -9.389 -13.121 1.00 0.00 N ATOM 0 H LYS A 58 -3.207 -9.427 -6.006 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.478 -8.953 -8.637 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.889 -11.319 -7.607 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.085 -11.518 -8.872 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.799 -9.530 -9.068 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.675 -11.184 -9.633 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.971 -10.528 -10.883 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.301 -8.915 -10.732 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.095 -10.054 -11.666 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.199 -11.291 -12.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.839 -9.601 -13.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.462 -9.584 -13.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.391 -8.386 -12.860 1.00 0.00 H new ATOM 889 N GLU A 59 -5.654 -9.918 -5.906 1.00 0.00 N ATOM 890 CA GLU A 59 -6.837 -10.368 -5.183 1.00 0.00 C ATOM 891 C GLU A 59 -7.793 -9.206 -4.927 1.00 0.00 C ATOM 892 O GLU A 59 -7.532 -8.073 -5.330 1.00 0.00 O ATOM 893 CB GLU A 59 -6.436 -11.015 -3.856 1.00 0.00 C ATOM 894 CG GLU A 59 -5.999 -12.464 -3.992 1.00 0.00 C ATOM 895 CD GLU A 59 -5.277 -12.974 -2.761 1.00 0.00 C ATOM 896 OE1 GLU A 59 -5.820 -12.820 -1.647 1.00 0.00 O ATOM 897 OE2 GLU A 59 -4.167 -13.527 -2.911 1.00 0.00 O ATOM 0 H GLU A 59 -4.980 -9.407 -5.336 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.348 -11.108 -5.799 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.624 -10.440 -3.412 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.278 -10.962 -3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.873 -13.087 -4.180 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.345 -12.563 -4.859 1.00 0.00 H new ATOM 904 N ARG A 60 -8.902 -9.497 -4.254 1.00 0.00 N ATOM 905 CA ARG A 60 -9.898 -8.478 -3.946 1.00 0.00 C ATOM 906 C ARG A 60 -9.290 -7.362 -3.101 1.00 0.00 C ATOM 907 O ARG A 60 -8.771 -7.589 -2.008 1.00 0.00 O ATOM 908 CB ARG A 60 -11.085 -9.101 -3.208 1.00 0.00 C ATOM 909 CG ARG A 60 -12.183 -9.598 -4.134 1.00 0.00 C ATOM 910 CD ARG A 60 -13.201 -8.507 -4.426 1.00 0.00 C ATOM 911 NE ARG A 60 -14.274 -8.979 -5.297 1.00 0.00 N ATOM 912 CZ ARG A 60 -15.458 -8.383 -5.394 1.00 0.00 C ATOM 913 NH1 ARG A 60 -15.718 -7.299 -4.678 1.00 0.00 N ATOM 914 NH2 ARG A 60 -16.383 -8.872 -6.210 1.00 0.00 N ATOM 0 H ARG A 60 -9.133 -10.430 -3.912 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.247 -8.051 -4.886 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.729 -9.933 -2.601 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.504 -8.364 -2.523 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.743 -9.946 -5.068 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.684 -10.453 -3.680 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.626 -8.148 -3.489 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -12.700 -7.660 -4.894 1.00 0.00 H new ATOM 0 HE ARG A 60 -14.106 -9.812 -5.862 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.009 -6.920 -4.051 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -16.627 -6.843 -4.754 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -16.186 -9.706 -6.763 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -17.291 -8.414 -6.284 1.00 0.00 H new ATOM 928 N PRO A 61 -9.354 -6.126 -3.619 1.00 0.00 N ATOM 929 CA PRO A 61 -8.815 -4.950 -2.929 1.00 0.00 C ATOM 930 C PRO A 61 -9.627 -4.580 -1.693 1.00 0.00 C ATOM 931 O PRO A 61 -9.076 -4.404 -0.607 1.00 0.00 O ATOM 932 CB PRO A 61 -8.913 -3.845 -3.984 1.00 0.00 C ATOM 933 CG PRO A 61 -10.015 -4.279 -4.887 1.00 0.00 C ATOM 934 CD PRO A 61 -9.958 -5.782 -4.917 1.00 0.00 C ATOM 0 HA PRO A 61 -7.803 -5.120 -2.563 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.133 -2.880 -3.527 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.976 -3.734 -4.529 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.981 -3.932 -4.519 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.887 -3.864 -5.887 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.950 -6.220 -5.027 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.355 -6.145 -5.750 1.00 0.00 H new ATOM 942 N GLU A 62 -10.940 -4.465 -1.866 1.00 0.00 N ATOM 943 CA GLU A 62 -11.828 -4.115 -0.763 1.00 0.00 C ATOM 944 C GLU A 62 -11.345 -4.741 0.543 1.00 0.00 C ATOM 945 O GLU A 62 -11.435 -4.129 1.608 1.00 0.00 O ATOM 946 CB GLU A 62 -13.256 -4.573 -1.063 1.00 0.00 C ATOM 947 CG GLU A 62 -13.791 -4.066 -2.392 1.00 0.00 C ATOM 948 CD GLU A 62 -13.767 -2.553 -2.492 1.00 0.00 C ATOM 949 OE1 GLU A 62 -12.721 -2.003 -2.895 1.00 0.00 O ATOM 950 OE2 GLU A 62 -14.792 -1.920 -2.166 1.00 0.00 O ATOM 0 H GLU A 62 -11.412 -4.609 -2.759 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.818 -3.031 -0.652 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.287 -5.663 -1.060 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.913 -4.233 -0.263 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.199 -4.489 -3.203 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -14.813 -4.419 -2.526 1.00 0.00 H new ATOM 957 N LEU A 63 -10.833 -5.963 0.452 1.00 0.00 N ATOM 958 CA LEU A 63 -10.336 -6.674 1.625 1.00 0.00 C ATOM 959 C LEU A 63 -9.049 -6.038 2.142 1.00 0.00 C ATOM 960 O LEU A 63 -8.952 -5.672 3.314 1.00 0.00 O ATOM 961 CB LEU A 63 -10.092 -8.146 1.289 1.00 0.00 C ATOM 962 CG LEU A 63 -11.330 -9.042 1.263 1.00 0.00 C ATOM 963 CD1 LEU A 63 -12.548 -8.258 0.800 1.00 0.00 C ATOM 964 CD2 LEU A 63 -11.097 -10.248 0.364 1.00 0.00 C ATOM 0 H LEU A 63 -10.751 -6.483 -0.422 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.092 -6.607 2.407 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.608 -8.200 0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.389 -8.552 2.016 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.517 -9.399 2.276 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.419 -8.913 0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -12.727 -7.428 1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.372 -7.871 -0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.989 -10.875 0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.884 -9.910 -0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.251 -10.824 0.740 1.00 0.00 H new ATOM 976 N PHE A 64 -8.064 -5.908 1.260 1.00 0.00 N ATOM 977 CA PHE A 64 -6.783 -5.315 1.626 1.00 0.00 C ATOM 978 C PHE A 64 -6.908 -3.802 1.780 1.00 0.00 C ATOM 979 O PHE A 64 -6.777 -3.267 2.881 1.00 0.00 O ATOM 980 CB PHE A 64 -5.724 -5.647 0.573 1.00 0.00 C ATOM 981 CG PHE A 64 -4.323 -5.322 1.008 1.00 0.00 C ATOM 982 CD1 PHE A 64 -3.810 -5.848 2.183 1.00 0.00 C ATOM 983 CD2 PHE A 64 -3.520 -4.492 0.243 1.00 0.00 C ATOM 984 CE1 PHE A 64 -2.522 -5.551 2.586 1.00 0.00 C ATOM 985 CE2 PHE A 64 -2.231 -4.191 0.641 1.00 0.00 C ATOM 986 CZ PHE A 64 -1.731 -4.722 1.814 1.00 0.00 C ATOM 0 H PHE A 64 -8.128 -6.205 0.286 1.00 0.00 H new ATOM 0 HA PHE A 64 -6.477 -5.735 2.584 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -5.784 -6.708 0.331 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.948 -5.098 -0.342 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.423 -6.497 2.790 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.906 -4.075 -0.676 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.134 -5.967 3.504 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.616 -3.542 0.036 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.724 -4.490 2.127 1.00 0.00 H new ATOM 996 N ILE A 65 -7.161 -3.120 0.668 1.00 0.00 N ATOM 997 CA ILE A 65 -7.304 -1.669 0.679 1.00 0.00 C ATOM 998 C ILE A 65 -8.625 -1.242 0.046 1.00 0.00 C ATOM 999 O ILE A 65 -9.101 -1.868 -0.900 1.00 0.00 O ATOM 1000 CB ILE A 65 -6.145 -0.984 -0.068 1.00 0.00 C ATOM 1001 CG1 ILE A 65 -4.801 -1.435 0.509 1.00 0.00 C ATOM 1002 CG2 ILE A 65 -6.282 0.529 0.016 1.00 0.00 C ATOM 1003 CD1 ILE A 65 -3.609 -0.937 -0.278 1.00 0.00 C ATOM 0 H ILE A 65 -7.271 -3.548 -0.251 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.287 -1.358 1.723 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.185 -1.276 -1.118 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.720 -1.083 1.538 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.776 -2.524 0.541 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.455 0.999 -0.517 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.226 0.835 -0.436 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.263 0.839 1.061 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.691 -1.294 0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.667 -1.310 -1.301 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.610 0.153 -0.289 1.00 0.00 H new ATOM 1015 N GLN A 66 -9.209 -0.172 0.574 1.00 0.00 N ATOM 1016 CA GLN A 66 -10.474 0.339 0.060 1.00 0.00 C ATOM 1017 C GLN A 66 -10.330 1.787 -0.398 1.00 0.00 C ATOM 1018 O GLN A 66 -10.282 2.705 0.420 1.00 0.00 O ATOM 1019 CB GLN A 66 -11.563 0.236 1.129 1.00 0.00 C ATOM 1020 CG GLN A 66 -12.964 0.094 0.558 1.00 0.00 C ATOM 1021 CD GLN A 66 -13.917 -0.597 1.515 1.00 0.00 C ATOM 1022 OE1 GLN A 66 -14.316 -1.741 1.293 1.00 0.00 O ATOM 1023 NE2 GLN A 66 -14.286 0.095 2.586 1.00 0.00 N ATOM 0 H GLN A 66 -8.827 0.358 1.357 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.760 -0.268 -0.799 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.352 -0.620 1.769 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.525 1.123 1.761 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -13.354 1.082 0.313 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -12.917 -0.471 -0.373 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -13.931 1.040 2.730 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -14.925 -0.318 3.265 1.00 0.00 H new ATOM 1032 N GLY A 67 -10.261 1.984 -1.711 1.00 0.00 N ATOM 1033 CA GLY A 67 -10.123 3.322 -2.255 1.00 0.00 C ATOM 1034 C GLY A 67 -8.693 3.648 -2.637 1.00 0.00 C ATOM 1035 O GLY A 67 -7.881 2.748 -2.853 1.00 0.00 O ATOM 0 H GLY A 67 -10.298 1.240 -2.408 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -10.762 3.422 -3.132 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -10.474 4.047 -1.521 1.00 0.00 H new ATOM 1039 N ASP A 68 -8.384 4.937 -2.724 1.00 0.00 N ATOM 1040 CA ASP A 68 -7.042 5.379 -3.084 1.00 0.00 C ATOM 1041 C ASP A 68 -6.097 5.273 -1.891 1.00 0.00 C ATOM 1042 O ASP A 68 -4.884 5.142 -2.057 1.00 0.00 O ATOM 1043 CB ASP A 68 -7.077 6.819 -3.597 1.00 0.00 C ATOM 1044 CG ASP A 68 -5.694 7.431 -3.701 1.00 0.00 C ATOM 1045 OD1 ASP A 68 -4.982 7.466 -2.675 1.00 0.00 O ATOM 1046 OD2 ASP A 68 -5.323 7.874 -4.808 1.00 0.00 O ATOM 0 H ASP A 68 -9.045 5.694 -2.550 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.672 4.729 -3.876 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.555 6.841 -4.576 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.690 7.425 -2.929 1.00 0.00 H new ATOM 1051 N SER A 69 -6.660 5.333 -0.689 1.00 0.00 N ATOM 1052 CA SER A 69 -5.867 5.249 0.532 1.00 0.00 C ATOM 1053 C SER A 69 -5.906 3.837 1.109 1.00 0.00 C ATOM 1054 O SER A 69 -6.741 3.019 0.723 1.00 0.00 O ATOM 1055 CB SER A 69 -6.381 6.250 1.569 1.00 0.00 C ATOM 1056 OG SER A 69 -5.777 6.031 2.832 1.00 0.00 O ATOM 0 H SER A 69 -7.663 5.439 -0.534 1.00 0.00 H new ATOM 0 HA SER A 69 -4.834 5.493 0.283 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.172 7.266 1.234 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.464 6.161 1.660 1.00 0.00 H new ATOM 0 HG SER A 69 -6.121 6.684 3.477 1.00 0.00 H new ATOM 1062 N VAL A 70 -4.995 3.559 2.036 1.00 0.00 N ATOM 1063 CA VAL A 70 -4.924 2.247 2.668 1.00 0.00 C ATOM 1064 C VAL A 70 -5.970 2.110 3.769 1.00 0.00 C ATOM 1065 O VAL A 70 -6.140 3.008 4.593 1.00 0.00 O ATOM 1066 CB VAL A 70 -3.529 1.986 3.266 1.00 0.00 C ATOM 1067 CG1 VAL A 70 -2.491 1.856 2.161 1.00 0.00 C ATOM 1068 CG2 VAL A 70 -3.150 3.094 4.237 1.00 0.00 C ATOM 0 H VAL A 70 -4.296 4.225 2.366 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.121 1.510 1.889 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.558 1.046 3.817 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.511 1.672 2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.757 1.025 1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.460 2.778 1.581 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.161 2.893 4.650 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.137 4.049 3.712 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.880 3.134 5.046 1.00 0.00 H new ATOM 1078 N ARG A 71 -6.669 0.980 3.777 1.00 0.00 N ATOM 1079 CA ARG A 71 -7.699 0.725 4.776 1.00 0.00 C ATOM 1080 C ARG A 71 -7.222 1.137 6.166 1.00 0.00 C ATOM 1081 O ARG A 71 -6.029 1.318 6.411 1.00 0.00 O ATOM 1082 CB ARG A 71 -8.085 -0.755 4.776 1.00 0.00 C ATOM 1083 CG ARG A 71 -9.265 -1.077 3.873 1.00 0.00 C ATOM 1084 CD ARG A 71 -9.948 -2.370 4.289 1.00 0.00 C ATOM 1085 NE ARG A 71 -11.375 -2.361 3.976 1.00 0.00 N ATOM 1086 CZ ARG A 71 -12.271 -3.110 4.607 1.00 0.00 C ATOM 1087 NH1 ARG A 71 -11.890 -3.925 5.582 1.00 0.00 N ATOM 1088 NH2 ARG A 71 -13.551 -3.046 4.265 1.00 0.00 N ATOM 0 H ARG A 71 -6.540 0.226 3.102 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.574 1.322 4.519 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.225 -1.346 4.461 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.324 -1.059 5.795 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.983 -0.258 3.905 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.923 -1.160 2.841 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.471 -3.210 3.784 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.813 -2.523 5.360 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.701 -1.745 3.231 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.907 -3.977 5.848 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -12.580 -4.500 6.065 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -13.848 -2.421 3.516 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -14.238 -3.622 4.751 1.00 0.00 H new ATOM 1102 N PRO A 72 -8.175 1.291 7.097 1.00 0.00 N ATOM 1103 CA PRO A 72 -7.877 1.684 8.478 1.00 0.00 C ATOM 1104 C PRO A 72 -7.161 0.583 9.252 1.00 0.00 C ATOM 1105 O PRO A 72 -6.896 0.721 10.445 1.00 0.00 O ATOM 1106 CB PRO A 72 -9.260 1.948 9.078 1.00 0.00 C ATOM 1107 CG PRO A 72 -10.191 1.117 8.264 1.00 0.00 C ATOM 1108 CD PRO A 72 -9.617 1.093 6.875 1.00 0.00 C ATOM 0 HA PRO A 72 -7.208 2.543 8.522 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.295 1.666 10.130 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -9.521 3.005 9.022 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -10.271 0.109 8.671 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.195 1.542 8.264 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.820 0.147 6.373 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.039 1.881 6.252 1.00 0.00 H new ATOM 1116 N GLY A 73 -6.848 -0.511 8.563 1.00 0.00 N ATOM 1117 CA GLY A 73 -6.165 -1.620 9.203 1.00 0.00 C ATOM 1118 C GLY A 73 -4.774 -1.845 8.643 1.00 0.00 C ATOM 1119 O GLY A 73 -3.869 -2.266 9.364 1.00 0.00 O ATOM 0 H GLY A 73 -7.055 -0.649 7.574 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.096 -1.431 10.274 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.755 -2.528 9.077 1.00 0.00 H new ATOM 1123 N ILE A 74 -4.604 -1.565 7.356 1.00 0.00 N ATOM 1124 CA ILE A 74 -3.314 -1.740 6.701 1.00 0.00 C ATOM 1125 C ILE A 74 -2.357 -0.607 7.059 1.00 0.00 C ATOM 1126 O ILE A 74 -2.536 0.532 6.625 1.00 0.00 O ATOM 1127 CB ILE A 74 -3.464 -1.804 5.169 1.00 0.00 C ATOM 1128 CG1 ILE A 74 -4.692 -2.634 4.790 1.00 0.00 C ATOM 1129 CG2 ILE A 74 -2.209 -2.387 4.538 1.00 0.00 C ATOM 1130 CD1 ILE A 74 -4.647 -4.053 5.312 1.00 0.00 C ATOM 0 H ILE A 74 -5.343 -1.216 6.746 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.905 -2.685 7.058 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.601 -0.792 4.789 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.586 -2.142 5.174 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.783 -2.658 3.704 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.330 -2.426 3.455 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.353 -1.760 4.785 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.043 -3.394 4.921 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.549 -4.582 5.005 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.772 -4.562 4.907 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.587 -4.039 6.400 1.00 0.00 H new ATOM 1142 N LEU A 75 -1.341 -0.927 7.852 1.00 0.00 N ATOM 1143 CA LEU A 75 -0.353 0.063 8.267 1.00 0.00 C ATOM 1144 C LEU A 75 0.867 0.031 7.353 1.00 0.00 C ATOM 1145 O LEU A 75 1.520 -1.002 7.207 1.00 0.00 O ATOM 1146 CB LEU A 75 0.072 -0.189 9.715 1.00 0.00 C ATOM 1147 CG LEU A 75 -0.908 0.274 10.793 1.00 0.00 C ATOM 1148 CD1 LEU A 75 -0.595 -0.396 12.122 1.00 0.00 C ATOM 1149 CD2 LEU A 75 -0.868 1.789 10.935 1.00 0.00 C ATOM 0 H LEU A 75 -1.179 -1.864 8.221 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.810 1.050 8.196 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.242 -1.258 9.842 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.028 0.308 9.884 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.914 -0.016 10.491 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.303 -0.054 12.877 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.675 -1.477 12.012 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.418 -0.137 12.430 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.572 2.101 11.707 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.138 2.102 11.214 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.142 2.251 9.986 1.00 0.00 H new ATOM 1161 N VAL A 76 1.172 1.172 6.742 1.00 0.00 N ATOM 1162 CA VAL A 76 2.317 1.276 5.845 1.00 0.00 C ATOM 1163 C VAL A 76 3.507 1.922 6.545 1.00 0.00 C ATOM 1164 O VAL A 76 3.344 2.653 7.523 1.00 0.00 O ATOM 1165 CB VAL A 76 1.971 2.093 4.586 1.00 0.00 C ATOM 1166 CG1 VAL A 76 0.753 1.507 3.887 1.00 0.00 C ATOM 1167 CG2 VAL A 76 1.739 3.553 4.945 1.00 0.00 C ATOM 0 H VAL A 76 0.642 2.037 6.852 1.00 0.00 H new ATOM 0 HA VAL A 76 2.581 0.260 5.549 1.00 0.00 H new ATOM 0 HB VAL A 76 2.815 2.042 3.898 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.524 2.097 3.000 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.962 0.478 3.594 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.100 1.525 4.566 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.496 4.115 4.043 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.913 3.627 5.653 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.642 3.965 5.397 1.00 0.00 H new ATOM 1177 N LEU A 77 4.704 1.648 6.039 1.00 0.00 N ATOM 1178 CA LEU A 77 5.924 2.204 6.615 1.00 0.00 C ATOM 1179 C LEU A 77 6.967 2.465 5.534 1.00 0.00 C ATOM 1180 O LEU A 77 7.373 1.551 4.815 1.00 0.00 O ATOM 1181 CB LEU A 77 6.492 1.252 7.669 1.00 0.00 C ATOM 1182 CG LEU A 77 5.989 1.455 9.099 1.00 0.00 C ATOM 1183 CD1 LEU A 77 5.988 0.137 9.857 1.00 0.00 C ATOM 1184 CD2 LEU A 77 6.841 2.488 9.822 1.00 0.00 C ATOM 0 H LEU A 77 4.856 1.044 5.231 1.00 0.00 H new ATOM 0 HA LEU A 77 5.674 3.154 7.088 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.264 0.230 7.367 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.578 1.349 7.670 1.00 0.00 H new ATOM 0 HG LEU A 77 4.965 1.825 9.054 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.627 0.301 10.872 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.335 -0.574 9.350 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.001 -0.263 9.892 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.469 2.620 10.838 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.876 2.147 9.856 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.790 3.438 9.291 1.00 0.00 H new ATOM 1196 N ILE A 78 7.399 3.717 5.426 1.00 0.00 N ATOM 1197 CA ILE A 78 8.398 4.097 4.435 1.00 0.00 C ATOM 1198 C ILE A 78 9.794 4.133 5.047 1.00 0.00 C ATOM 1199 O ILE A 78 10.049 4.875 5.994 1.00 0.00 O ATOM 1200 CB ILE A 78 8.084 5.474 3.819 1.00 0.00 C ATOM 1201 CG1 ILE A 78 6.690 5.470 3.189 1.00 0.00 C ATOM 1202 CG2 ILE A 78 9.137 5.844 2.786 1.00 0.00 C ATOM 1203 CD1 ILE A 78 6.014 6.823 3.209 1.00 0.00 C ATOM 0 H ILE A 78 7.073 4.485 6.012 1.00 0.00 H new ATOM 0 HA ILE A 78 8.368 3.341 3.650 1.00 0.00 H new ATOM 0 HB ILE A 78 8.101 6.222 4.611 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.767 5.127 2.157 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.063 4.752 3.718 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.902 6.819 2.360 1.00 0.00 H new ATOM 0 HG22 ILE A 78 10.116 5.883 3.263 1.00 0.00 H new ATOM 0 HG23 ILE A 78 9.149 5.095 1.994 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.030 6.745 2.746 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.905 7.160 4.240 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.620 7.540 2.655 1.00 0.00 H new ATOM 1215 N ASN A 79 10.696 3.325 4.497 1.00 0.00 N ATOM 1216 CA ASN A 79 12.067 3.265 4.988 1.00 0.00 C ATOM 1217 C ASN A 79 12.096 3.101 6.504 1.00 0.00 C ATOM 1218 O ASN A 79 12.912 3.716 7.191 1.00 0.00 O ATOM 1219 CB ASN A 79 12.831 4.529 4.586 1.00 0.00 C ATOM 1220 CG ASN A 79 13.467 4.408 3.215 1.00 0.00 C ATOM 1221 OD1 ASN A 79 12.638 4.385 2.178 1.00 0.00 O flip ATOM 1222 ND2 ASN A 79 14.690 4.337 3.090 1.00 0.00 N flip ATOM 0 H ASN A 79 10.501 2.704 3.712 1.00 0.00 H new ATOM 0 HA ASN A 79 12.550 2.398 4.537 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.150 5.380 4.594 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.605 4.733 5.326 1.00 0.00 H new ATOM 0 HD21 ASN A 79 15.289 4.358 3.915 1.00 0.00 H new ATOM 0 HD22 ASN A 79 15.104 4.257 2.161 1.00 0.00 H new ATOM 1229 N ASP A 80 11.200 2.267 7.020 1.00 0.00 N ATOM 1230 CA ASP A 80 11.122 2.019 8.455 1.00 0.00 C ATOM 1231 C ASP A 80 10.702 3.281 9.202 1.00 0.00 C ATOM 1232 O ASP A 80 11.275 3.622 10.237 1.00 0.00 O ATOM 1233 CB ASP A 80 12.470 1.525 8.983 1.00 0.00 C ATOM 1234 CG ASP A 80 12.387 1.035 10.415 1.00 0.00 C ATOM 1235 OD1 ASP A 80 11.469 0.244 10.720 1.00 0.00 O ATOM 1236 OD2 ASP A 80 13.241 1.441 11.231 1.00 0.00 O ATOM 0 H ASP A 80 10.517 1.751 6.466 1.00 0.00 H new ATOM 0 HA ASP A 80 10.369 1.249 8.625 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.832 0.718 8.346 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.199 2.333 8.920 1.00 0.00 H new ATOM 1241 N ALA A 81 9.698 3.971 8.671 1.00 0.00 N ATOM 1242 CA ALA A 81 9.201 5.194 9.287 1.00 0.00 C ATOM 1243 C ALA A 81 7.728 5.415 8.958 1.00 0.00 C ATOM 1244 O ALA A 81 7.330 5.379 7.794 1.00 0.00 O ATOM 1245 CB ALA A 81 10.029 6.388 8.835 1.00 0.00 C ATOM 0 H ALA A 81 9.213 3.703 7.815 1.00 0.00 H new ATOM 0 HA ALA A 81 9.294 5.090 10.368 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.646 7.295 9.303 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.069 6.241 9.126 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.966 6.485 7.751 1.00 0.00 H new ATOM 1251 N ASP A 82 6.924 5.644 9.991 1.00 0.00 N ATOM 1252 CA ASP A 82 5.495 5.871 9.811 1.00 0.00 C ATOM 1253 C ASP A 82 5.241 6.885 8.700 1.00 0.00 C ATOM 1254 O ASP A 82 5.751 8.004 8.740 1.00 0.00 O ATOM 1255 CB ASP A 82 4.866 6.359 11.117 1.00 0.00 C ATOM 1256 CG ASP A 82 5.333 5.560 12.318 1.00 0.00 C ATOM 1257 OD1 ASP A 82 5.773 4.407 12.129 1.00 0.00 O ATOM 1258 OD2 ASP A 82 5.257 6.088 13.448 1.00 0.00 O ATOM 0 H ASP A 82 7.238 5.677 10.961 1.00 0.00 H new ATOM 0 HA ASP A 82 5.035 4.925 9.526 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.113 7.410 11.265 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.781 6.294 11.041 1.00 0.00 H new ATOM 1263 N TRP A 83 4.451 6.485 7.710 1.00 0.00 N ATOM 1264 CA TRP A 83 4.131 7.358 6.587 1.00 0.00 C ATOM 1265 C TRP A 83 3.284 8.542 7.042 1.00 0.00 C ATOM 1266 O TRP A 83 3.170 9.542 6.335 1.00 0.00 O ATOM 1267 CB TRP A 83 3.393 6.576 5.500 1.00 0.00 C ATOM 1268 CG TRP A 83 1.990 6.210 5.879 1.00 0.00 C ATOM 1269 CD1 TRP A 83 1.555 5.795 7.105 1.00 0.00 C ATOM 1270 CD2 TRP A 83 0.840 6.225 5.027 1.00 0.00 C ATOM 1271 NE1 TRP A 83 0.203 5.550 7.066 1.00 0.00 N ATOM 1272 CE2 TRP A 83 -0.259 5.807 5.802 1.00 0.00 C ATOM 1273 CE3 TRP A 83 0.632 6.552 3.684 1.00 0.00 C ATOM 1274 CZ2 TRP A 83 -1.545 5.708 5.278 1.00 0.00 C ATOM 1275 CZ3 TRP A 83 -0.645 6.452 3.165 1.00 0.00 C ATOM 1276 CH2 TRP A 83 -1.720 6.035 3.961 1.00 0.00 C ATOM 0 H TRP A 83 4.020 5.562 7.662 1.00 0.00 H new ATOM 0 HA TRP A 83 5.067 7.740 6.178 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.371 7.170 4.586 1.00 0.00 H new ATOM 0 HB3 TRP A 83 3.950 5.666 5.276 1.00 0.00 H new ATOM 0 HD1 TRP A 83 2.181 5.677 7.977 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -0.364 5.229 7.851 1.00 0.00 H new ATOM 0 HE3 TRP A 83 1.454 6.877 3.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -2.375 5.385 5.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.817 6.700 2.128 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.707 5.970 3.526 1.00 0.00 H new ATOM 1287 N GLU A 84 2.693 8.420 8.227 1.00 0.00 N ATOM 1288 CA GLU A 84 1.856 9.481 8.775 1.00 0.00 C ATOM 1289 C GLU A 84 2.706 10.660 9.239 1.00 0.00 C ATOM 1290 O GLU A 84 2.231 11.794 9.310 1.00 0.00 O ATOM 1291 CB GLU A 84 1.019 8.951 9.941 1.00 0.00 C ATOM 1292 CG GLU A 84 0.029 7.871 9.538 1.00 0.00 C ATOM 1293 CD GLU A 84 -1.167 7.799 10.467 1.00 0.00 C ATOM 1294 OE1 GLU A 84 -1.618 8.864 10.937 1.00 0.00 O ATOM 1295 OE2 GLU A 84 -1.651 6.677 10.725 1.00 0.00 O ATOM 0 H GLU A 84 2.778 7.598 8.825 1.00 0.00 H new ATOM 0 HA GLU A 84 1.188 9.825 7.985 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.687 8.553 10.705 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.475 9.780 10.393 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.316 8.061 8.522 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.535 6.905 9.528 1.00 0.00 H new ATOM 1302 N LEU A 85 3.967 10.384 9.556 1.00 0.00 N ATOM 1303 CA LEU A 85 4.885 11.420 10.015 1.00 0.00 C ATOM 1304 C LEU A 85 5.487 12.176 8.834 1.00 0.00 C ATOM 1305 O LEU A 85 5.767 13.372 8.926 1.00 0.00 O ATOM 1306 CB LEU A 85 5.999 10.803 10.862 1.00 0.00 C ATOM 1307 CG LEU A 85 5.686 10.613 12.347 1.00 0.00 C ATOM 1308 CD1 LEU A 85 4.403 9.815 12.524 1.00 0.00 C ATOM 1309 CD2 LEU A 85 6.846 9.926 13.053 1.00 0.00 C ATOM 0 H LEU A 85 4.376 9.451 9.503 1.00 0.00 H new ATOM 0 HA LEU A 85 4.322 12.126 10.625 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.255 9.832 10.438 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.885 11.432 10.775 1.00 0.00 H new ATOM 0 HG LEU A 85 5.544 11.595 12.798 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.196 9.690 13.587 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.576 10.347 12.054 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.516 8.836 12.059 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.606 9.799 14.109 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.020 8.950 12.601 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.744 10.536 12.956 1.00 0.00 H new ATOM 1321 N LEU A 86 5.684 11.471 7.726 1.00 0.00 N ATOM 1322 CA LEU A 86 6.251 12.075 6.525 1.00 0.00 C ATOM 1323 C LEU A 86 5.154 12.655 5.637 1.00 0.00 C ATOM 1324 O LEU A 86 5.065 13.868 5.456 1.00 0.00 O ATOM 1325 CB LEU A 86 7.062 11.040 5.744 1.00 0.00 C ATOM 1326 CG LEU A 86 8.120 10.276 6.540 1.00 0.00 C ATOM 1327 CD1 LEU A 86 8.356 8.902 5.932 1.00 0.00 C ATOM 1328 CD2 LEU A 86 9.419 11.066 6.597 1.00 0.00 C ATOM 0 H LEU A 86 5.460 10.480 7.634 1.00 0.00 H new ATOM 0 HA LEU A 86 6.910 12.887 6.833 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.370 10.318 5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.556 11.546 4.914 1.00 0.00 H new ATOM 0 HG LEU A 86 7.755 10.143 7.558 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.112 8.373 6.512 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.426 8.334 5.944 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.699 9.013 4.904 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.160 10.507 7.168 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.789 11.231 5.585 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.240 12.027 7.079 1.00 0.00 H new ATOM 1340 N GLY A 87 4.320 11.778 5.086 1.00 0.00 N ATOM 1341 CA GLY A 87 3.239 12.222 4.226 1.00 0.00 C ATOM 1342 C GLY A 87 2.377 11.074 3.740 1.00 0.00 C ATOM 1343 O GLY A 87 2.646 10.487 2.692 1.00 0.00 O ATOM 0 H GLY A 87 4.374 10.768 5.220 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.618 12.935 4.767 1.00 0.00 H new ATOM 0 HA3 GLY A 87 3.655 12.749 3.367 1.00 0.00 H new ATOM 1347 N GLU A 88 1.338 10.752 4.504 1.00 0.00 N ATOM 1348 CA GLU A 88 0.435 9.665 4.146 1.00 0.00 C ATOM 1349 C GLU A 88 0.260 9.578 2.632 1.00 0.00 C ATOM 1350 O GLU A 88 0.812 8.689 1.982 1.00 0.00 O ATOM 1351 CB GLU A 88 -0.927 9.861 4.816 1.00 0.00 C ATOM 1352 CG GLU A 88 -0.934 9.506 6.294 1.00 0.00 C ATOM 1353 CD GLU A 88 -2.316 9.139 6.799 1.00 0.00 C ATOM 1354 OE1 GLU A 88 -2.824 8.067 6.408 1.00 0.00 O ATOM 1355 OE2 GLU A 88 -2.889 9.923 7.583 1.00 0.00 O ATOM 0 H GLU A 88 1.101 11.228 5.374 1.00 0.00 H new ATOM 0 HA GLU A 88 0.875 8.732 4.498 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.234 10.900 4.699 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.668 9.250 4.300 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.255 8.671 6.467 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.554 10.351 6.869 1.00 0.00 H new ATOM 1362 N LEU A 89 -0.510 10.507 2.077 1.00 0.00 N ATOM 1363 CA LEU A 89 -0.758 10.537 0.640 1.00 0.00 C ATOM 1364 C LEU A 89 -0.060 11.728 -0.008 1.00 0.00 C ATOM 1365 O LEU A 89 -0.395 12.124 -1.125 1.00 0.00 O ATOM 1366 CB LEU A 89 -2.262 10.600 0.363 1.00 0.00 C ATOM 1367 CG LEU A 89 -3.096 9.449 0.927 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -4.562 9.845 1.011 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -2.927 8.200 0.076 1.00 0.00 C ATOM 0 H LEU A 89 -0.974 11.250 2.600 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.353 9.622 0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.647 11.535 0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.411 10.636 -0.716 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.742 9.228 1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.141 9.014 1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.668 10.712 1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.929 10.093 0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.528 7.392 0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.254 8.407 -0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.878 7.905 0.067 1.00 0.00 H new ATOM 1381 N ASP A 90 0.911 12.295 0.699 1.00 0.00 N ATOM 1382 CA ASP A 90 1.659 13.439 0.191 1.00 0.00 C ATOM 1383 C ASP A 90 3.095 13.044 -0.144 1.00 0.00 C ATOM 1384 O ASP A 90 3.738 13.666 -0.990 1.00 0.00 O ATOM 1385 CB ASP A 90 1.655 14.574 1.216 1.00 0.00 C ATOM 1386 CG ASP A 90 2.057 15.904 0.609 1.00 0.00 C ATOM 1387 OD1 ASP A 90 1.576 16.219 -0.499 1.00 0.00 O ATOM 1388 OD2 ASP A 90 2.853 16.629 1.243 1.00 0.00 O ATOM 0 H ASP A 90 1.199 11.981 1.626 1.00 0.00 H new ATOM 0 HA ASP A 90 1.173 13.783 -0.722 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.660 14.663 1.652 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.338 14.328 2.029 1.00 0.00 H new ATOM 1393 N TYR A 91 3.590 12.009 0.525 1.00 0.00 N ATOM 1394 CA TYR A 91 4.950 11.534 0.301 1.00 0.00 C ATOM 1395 C TYR A 91 5.142 11.097 -1.148 1.00 0.00 C ATOM 1396 O TYR A 91 4.429 10.226 -1.644 1.00 0.00 O ATOM 1397 CB TYR A 91 5.268 10.371 1.242 1.00 0.00 C ATOM 1398 CG TYR A 91 6.730 9.985 1.255 1.00 0.00 C ATOM 1399 CD1 TYR A 91 7.340 9.464 0.121 1.00 0.00 C ATOM 1400 CD2 TYR A 91 7.500 10.140 2.401 1.00 0.00 C ATOM 1401 CE1 TYR A 91 8.675 9.109 0.128 1.00 0.00 C ATOM 1402 CE2 TYR A 91 8.836 9.789 2.417 1.00 0.00 C ATOM 1403 CZ TYR A 91 9.419 9.274 1.278 1.00 0.00 C ATOM 1404 OH TYR A 91 10.749 8.922 1.290 1.00 0.00 O ATOM 0 H TYR A 91 3.070 11.483 1.227 1.00 0.00 H new ATOM 0 HA TYR A 91 5.634 12.357 0.508 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.963 10.639 2.253 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.675 9.505 0.949 1.00 0.00 H new ATOM 0 HD1 TYR A 91 6.761 9.334 -0.781 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.046 10.542 3.295 1.00 0.00 H new ATOM 0 HE1 TYR A 91 9.134 8.704 -0.762 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.421 9.917 3.316 1.00 0.00 H new ATOM 0 HH TYR A 91 11.127 9.102 2.176 1.00 0.00 H new ATOM 1414 N GLN A 92 6.112 11.710 -1.820 1.00 0.00 N ATOM 1415 CA GLN A 92 6.399 11.385 -3.212 1.00 0.00 C ATOM 1416 C GLN A 92 7.654 10.524 -3.322 1.00 0.00 C ATOM 1417 O GLN A 92 8.773 11.021 -3.193 1.00 0.00 O ATOM 1418 CB GLN A 92 6.571 12.665 -4.032 1.00 0.00 C ATOM 1419 CG GLN A 92 5.393 13.619 -3.922 1.00 0.00 C ATOM 1420 CD GLN A 92 5.624 14.919 -4.668 1.00 0.00 C ATOM 1421 OE1 GLN A 92 5.478 14.983 -5.889 1.00 0.00 O ATOM 1422 NE2 GLN A 92 5.987 15.966 -3.935 1.00 0.00 N ATOM 0 H GLN A 92 6.711 12.434 -1.423 1.00 0.00 H new ATOM 0 HA GLN A 92 5.556 10.819 -3.608 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.475 13.178 -3.705 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.717 12.399 -5.079 1.00 0.00 H new ATOM 0 HG2 GLN A 92 4.499 13.133 -4.314 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.203 13.836 -2.871 1.00 0.00 H new ATOM 0 HE21 GLN A 92 6.096 15.869 -2.926 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.156 16.867 -4.382 1.00 0.00 H new ATOM 1431 N LEU A 93 7.459 9.232 -3.562 1.00 0.00 N ATOM 1432 CA LEU A 93 8.576 8.301 -3.690 1.00 0.00 C ATOM 1433 C LEU A 93 9.500 8.713 -4.831 1.00 0.00 C ATOM 1434 O LEU A 93 9.040 9.100 -5.905 1.00 0.00 O ATOM 1435 CB LEU A 93 8.057 6.882 -3.925 1.00 0.00 C ATOM 1436 CG LEU A 93 7.234 6.271 -2.790 1.00 0.00 C ATOM 1437 CD1 LEU A 93 7.022 4.783 -3.025 1.00 0.00 C ATOM 1438 CD2 LEU A 93 7.914 6.510 -1.450 1.00 0.00 C ATOM 0 H LEU A 93 6.539 8.805 -3.672 1.00 0.00 H new ATOM 0 HA LEU A 93 9.145 8.324 -2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.447 6.885 -4.828 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.910 6.232 -4.119 1.00 0.00 H new ATOM 0 HG LEU A 93 6.259 6.757 -2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 93 6.434 4.366 -2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 93 6.491 4.635 -3.966 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.988 4.281 -3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 93 7.314 6.069 -0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.903 6.051 -1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 93 8.013 7.582 -1.278 1.00 0.00 H new ATOM 1450 N GLN A 94 10.804 8.624 -4.591 1.00 0.00 N ATOM 1451 CA GLN A 94 11.793 8.986 -5.600 1.00 0.00 C ATOM 1452 C GLN A 94 12.363 7.743 -6.273 1.00 0.00 C ATOM 1453 O GLN A 94 12.051 7.452 -7.428 1.00 0.00 O ATOM 1454 CB GLN A 94 12.922 9.802 -4.968 1.00 0.00 C ATOM 1455 CG GLN A 94 12.453 11.105 -4.340 1.00 0.00 C ATOM 1456 CD GLN A 94 12.439 12.256 -5.326 1.00 0.00 C ATOM 1457 OE1 GLN A 94 13.465 12.889 -5.575 1.00 0.00 O ATOM 1458 NE2 GLN A 94 11.271 12.535 -5.894 1.00 0.00 N ATOM 0 H GLN A 94 11.200 8.305 -3.707 1.00 0.00 H new ATOM 0 HA GLN A 94 11.297 9.592 -6.358 1.00 0.00 H new ATOM 0 HB2 GLN A 94 13.414 9.197 -4.206 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.669 10.024 -5.730 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.451 10.968 -3.933 1.00 0.00 H new ATOM 0 HG3 GLN A 94 13.105 11.356 -3.503 1.00 0.00 H new ATOM 0 HE21 GLN A 94 10.445 11.985 -5.659 1.00 0.00 H new ATOM 0 HE22 GLN A 94 11.200 13.300 -6.565 1.00 0.00 H new ATOM 1467 N ASP A 95 13.200 7.013 -5.545 1.00 0.00 N ATOM 1468 CA ASP A 95 13.814 5.800 -6.072 1.00 0.00 C ATOM 1469 C ASP A 95 14.541 5.035 -4.970 1.00 0.00 C ATOM 1470 O ASP A 95 14.671 5.522 -3.847 1.00 0.00 O ATOM 1471 CB ASP A 95 14.790 6.144 -7.199 1.00 0.00 C ATOM 1472 CG ASP A 95 15.178 4.930 -8.019 1.00 0.00 C ATOM 1473 OD1 ASP A 95 14.383 3.968 -8.069 1.00 0.00 O ATOM 1474 OD2 ASP A 95 16.277 4.942 -8.613 1.00 0.00 O ATOM 0 H ASP A 95 13.469 7.240 -4.588 1.00 0.00 H new ATOM 0 HA ASP A 95 13.022 5.165 -6.469 1.00 0.00 H new ATOM 0 HB2 ASP A 95 14.338 6.891 -7.852 1.00 0.00 H new ATOM 0 HB3 ASP A 95 15.687 6.594 -6.774 1.00 0.00 H new ATOM 1479 N GLN A 96 15.011 3.836 -5.299 1.00 0.00 N ATOM 1480 CA GLN A 96 15.722 3.005 -4.335 1.00 0.00 C ATOM 1481 C GLN A 96 15.080 3.099 -2.955 1.00 0.00 C ATOM 1482 O GLN A 96 15.746 2.915 -1.936 1.00 0.00 O ATOM 1483 CB GLN A 96 17.192 3.422 -4.257 1.00 0.00 C ATOM 1484 CG GLN A 96 17.959 3.194 -5.549 1.00 0.00 C ATOM 1485 CD GLN A 96 17.935 1.745 -5.994 1.00 0.00 C ATOM 1486 OE1 GLN A 96 16.828 1.329 -6.598 1.00 0.00 O flip ATOM 1487 NE2 GLN A 96 18.900 1.006 -5.797 1.00 0.00 N flip ATOM 0 H GLN A 96 14.912 3.419 -6.225 1.00 0.00 H new ATOM 0 HA GLN A 96 15.662 1.970 -4.672 1.00 0.00 H new ATOM 0 HB2 GLN A 96 17.248 4.478 -3.993 1.00 0.00 H new ATOM 0 HB3 GLN A 96 17.676 2.866 -3.454 1.00 0.00 H new ATOM 0 HG2 GLN A 96 17.534 3.818 -6.335 1.00 0.00 H new ATOM 0 HG3 GLN A 96 18.993 3.512 -5.414 1.00 0.00 H new ATOM 0 HE21 GLN A 96 19.731 1.367 -5.329 1.00 0.00 H new ATOM 0 HE22 GLN A 96 18.868 0.033 -6.102 1.00 0.00 H new ATOM 1496 N ASP A 97 13.784 3.387 -2.930 1.00 0.00 N ATOM 1497 CA ASP A 97 13.051 3.506 -1.675 1.00 0.00 C ATOM 1498 C ASP A 97 12.437 2.167 -1.276 1.00 0.00 C ATOM 1499 O ASP A 97 12.317 1.259 -2.098 1.00 0.00 O ATOM 1500 CB ASP A 97 11.956 4.567 -1.797 1.00 0.00 C ATOM 1501 CG ASP A 97 12.519 5.971 -1.895 1.00 0.00 C ATOM 1502 OD1 ASP A 97 13.589 6.223 -1.303 1.00 0.00 O ATOM 1503 OD2 ASP A 97 11.889 6.818 -2.562 1.00 0.00 O ATOM 0 H ASP A 97 13.219 3.543 -3.765 1.00 0.00 H new ATOM 0 HA ASP A 97 13.754 3.809 -0.899 1.00 0.00 H new ATOM 0 HB2 ASP A 97 11.350 4.359 -2.679 1.00 0.00 H new ATOM 0 HB3 ASP A 97 11.295 4.503 -0.933 1.00 0.00 H new ATOM 1508 N SER A 98 12.052 2.053 -0.009 1.00 0.00 N ATOM 1509 CA SER A 98 11.455 0.824 0.501 1.00 0.00 C ATOM 1510 C SER A 98 10.122 1.110 1.185 1.00 0.00 C ATOM 1511 O SER A 98 10.035 1.966 2.066 1.00 0.00 O ATOM 1512 CB SER A 98 12.408 0.138 1.482 1.00 0.00 C ATOM 1513 OG SER A 98 12.939 1.067 2.410 1.00 0.00 O ATOM 0 H SER A 98 12.143 2.797 0.683 1.00 0.00 H new ATOM 0 HA SER A 98 11.274 0.160 -0.344 1.00 0.00 H new ATOM 0 HB2 SER A 98 11.879 -0.652 2.015 1.00 0.00 H new ATOM 0 HB3 SER A 98 13.221 -0.337 0.933 1.00 0.00 H new ATOM 0 HG SER A 98 13.544 0.604 3.027 1.00 0.00 H new ATOM 1519 N ILE A 99 9.085 0.389 0.772 1.00 0.00 N ATOM 1520 CA ILE A 99 7.757 0.564 1.346 1.00 0.00 C ATOM 1521 C ILE A 99 7.235 -0.743 1.934 1.00 0.00 C ATOM 1522 O ILE A 99 7.222 -1.776 1.264 1.00 0.00 O ATOM 1523 CB ILE A 99 6.754 1.078 0.296 1.00 0.00 C ATOM 1524 CG1 ILE A 99 7.451 2.017 -0.690 1.00 0.00 C ATOM 1525 CG2 ILE A 99 5.591 1.785 0.976 1.00 0.00 C ATOM 1526 CD1 ILE A 99 7.992 3.275 -0.048 1.00 0.00 C ATOM 0 H ILE A 99 9.139 -0.322 0.042 1.00 0.00 H new ATOM 0 HA ILE A 99 7.851 1.304 2.140 1.00 0.00 H new ATOM 0 HB ILE A 99 6.362 0.225 -0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.271 1.483 -1.170 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.747 2.293 -1.475 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.891 2.143 0.221 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.082 1.089 1.643 1.00 0.00 H new ATOM 0 HG23 ILE A 99 5.966 2.631 1.552 1.00 0.00 H new ATOM 0 HD11 ILE A 99 8.473 3.893 -0.807 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.173 3.832 0.408 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.720 3.008 0.718 1.00 0.00 H new ATOM 1538 N LEU A 100 6.803 -0.690 3.189 1.00 0.00 N ATOM 1539 CA LEU A 100 6.278 -1.869 3.868 1.00 0.00 C ATOM 1540 C LEU A 100 4.774 -1.745 4.090 1.00 0.00 C ATOM 1541 O LEU A 100 4.264 -0.659 4.368 1.00 0.00 O ATOM 1542 CB LEU A 100 6.988 -2.069 5.208 1.00 0.00 C ATOM 1543 CG LEU A 100 6.297 -3.005 6.200 1.00 0.00 C ATOM 1544 CD1 LEU A 100 6.720 -4.446 5.958 1.00 0.00 C ATOM 1545 CD2 LEU A 100 6.608 -2.590 7.631 1.00 0.00 C ATOM 0 H LEU A 100 6.806 0.157 3.757 1.00 0.00 H new ATOM 0 HA LEU A 100 6.463 -2.736 3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 100 7.989 -2.454 5.012 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.108 -1.095 5.682 1.00 0.00 H new ATOM 0 HG LEU A 100 5.220 -2.933 6.048 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.218 -5.098 6.673 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.446 -4.740 4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.799 -4.534 6.082 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.108 -3.267 8.323 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.685 -2.632 7.796 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.255 -1.573 7.800 1.00 0.00 H new ATOM 1557 N PHE A 101 4.068 -2.864 3.967 1.00 0.00 N ATOM 1558 CA PHE A 101 2.622 -2.881 4.156 1.00 0.00 C ATOM 1559 C PHE A 101 2.206 -4.028 5.071 1.00 0.00 C ATOM 1560 O PHE A 101 2.303 -5.198 4.700 1.00 0.00 O ATOM 1561 CB PHE A 101 1.912 -3.007 2.806 1.00 0.00 C ATOM 1562 CG PHE A 101 2.147 -1.838 1.893 1.00 0.00 C ATOM 1563 CD1 PHE A 101 3.288 -1.772 1.110 1.00 0.00 C ATOM 1564 CD2 PHE A 101 1.226 -0.805 1.818 1.00 0.00 C ATOM 1565 CE1 PHE A 101 3.506 -0.696 0.270 1.00 0.00 C ATOM 1566 CE2 PHE A 101 1.439 0.273 0.979 1.00 0.00 C ATOM 1567 CZ PHE A 101 2.580 0.327 0.204 1.00 0.00 C ATOM 0 H PHE A 101 4.474 -3.771 3.737 1.00 0.00 H new ATOM 0 HA PHE A 101 2.331 -1.942 4.626 1.00 0.00 H new ATOM 0 HB2 PHE A 101 2.249 -3.918 2.311 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.841 -3.115 2.977 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.015 -2.570 1.156 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.331 -0.843 2.422 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.400 -0.655 -0.335 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.714 1.072 0.930 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.748 1.168 -0.453 1.00 0.00 H new ATOM 1577 N ILE A 102 1.745 -3.684 6.269 1.00 0.00 N ATOM 1578 CA ILE A 102 1.314 -4.684 7.237 1.00 0.00 C ATOM 1579 C ILE A 102 -0.199 -4.647 7.430 1.00 0.00 C ATOM 1580 O ILE A 102 -0.822 -3.591 7.328 1.00 0.00 O ATOM 1581 CB ILE A 102 1.999 -4.479 8.601 1.00 0.00 C ATOM 1582 CG1 ILE A 102 1.746 -5.684 9.510 1.00 0.00 C ATOM 1583 CG2 ILE A 102 1.500 -3.200 9.258 1.00 0.00 C ATOM 1584 CD1 ILE A 102 2.851 -5.925 10.514 1.00 0.00 C ATOM 0 H ILE A 102 1.661 -2.720 6.592 1.00 0.00 H new ATOM 0 HA ILE A 102 1.603 -5.656 6.836 1.00 0.00 H new ATOM 0 HB ILE A 102 3.073 -4.387 8.441 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.807 -5.536 10.044 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.625 -6.575 8.894 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.993 -3.069 10.221 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.726 -2.349 8.616 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.422 -3.265 9.408 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.605 -6.794 11.124 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.788 -6.105 9.987 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.957 -5.050 11.155 1.00 0.00 H new ATOM 1596 N SER A 103 -0.782 -5.808 7.711 1.00 0.00 N ATOM 1597 CA SER A 103 -2.223 -5.909 7.916 1.00 0.00 C ATOM 1598 C SER A 103 -2.537 -6.397 9.327 1.00 0.00 C ATOM 1599 O SER A 103 -2.270 -7.548 9.674 1.00 0.00 O ATOM 1600 CB SER A 103 -2.840 -6.859 6.887 1.00 0.00 C ATOM 1601 OG SER A 103 -4.249 -6.713 6.841 1.00 0.00 O ATOM 0 H SER A 103 -0.280 -6.691 7.802 1.00 0.00 H new ATOM 0 HA SER A 103 -2.654 -4.916 7.788 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.418 -6.658 5.902 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.586 -7.889 7.139 1.00 0.00 H new ATOM 0 HG SER A 103 -4.620 -7.329 6.175 1.00 0.00 H new ATOM 1607 N THR A 104 -3.107 -5.511 10.139 1.00 0.00 N ATOM 1608 CA THR A 104 -3.458 -5.848 11.513 1.00 0.00 C ATOM 1609 C THR A 104 -4.964 -5.766 11.732 1.00 0.00 C ATOM 1610 O THR A 104 -5.426 -5.247 12.749 1.00 0.00 O ATOM 1611 CB THR A 104 -2.752 -4.918 12.517 1.00 0.00 C ATOM 1612 OG1 THR A 104 -3.057 -5.322 13.857 1.00 0.00 O ATOM 1613 CG2 THR A 104 -3.181 -3.473 12.309 1.00 0.00 C ATOM 0 H THR A 104 -3.335 -4.554 9.868 1.00 0.00 H new ATOM 0 HA THR A 104 -3.125 -6.872 11.682 1.00 0.00 H new ATOM 0 HB THR A 104 -1.677 -4.990 12.351 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.028 -5.411 13.959 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.670 -2.834 13.029 1.00 0.00 H new ATOM 0 HG22 THR A 104 -2.923 -3.159 11.298 1.00 0.00 H new ATOM 0 HG23 THR A 104 -4.258 -3.389 12.451 1.00 0.00 H new