USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 579 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 65 TYR OH : rot 180:sc= 0.189 USER MOD Set 1.2: A 69 LYS NZ :NH3+ 150:sc= 1.52 (180deg=-0.0847) USER MOD Set 2.1: A 17 MET CE :methyl 173:sc= -1.08 (180deg=-1.35) USER MOD Set 2.2: A 62 TYR OH : rot 114:sc= -2.43! USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.433 K(o=-0.43,f=-0.95) USER MOD Single : A 11 GLN : amide:sc= -2.33 K(o=-2.3,f=-11!) USER MOD Single : A 15 SER OG : rot -93:sc= 1.01 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.584 K(o=-0.58,f=-1.6!) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.0079) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 51 CYS SG : rot 161:sc= -1.01! USER MOD Single : A 56 THR OG1 : rot -19:sc= 0.275 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 75:sc= 0.729 USER MOD Single : A 64 MET CE :methyl 172:sc= 0 (180deg=-0.0321) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= 0.733 K(o=0.73,f=-4.7!) USER MOD Single : A 73 GLN : amide:sc= 0.0868 X(o=0.087,f=-0.24) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 160:sc= 0 USER MOD Single : A 81 SER OG : rot -16:sc= 0.341 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 7 8.172 -6.770 6.927 1.00 0.00 N ATOM 93 CA TYR A 7 6.926 -6.080 6.742 1.00 0.00 C ATOM 94 C TYR A 7 5.761 -6.988 7.067 1.00 0.00 C ATOM 95 O TYR A 7 5.837 -8.208 6.915 1.00 0.00 O ATOM 96 CB TYR A 7 6.822 -5.540 5.316 1.00 0.00 C ATOM 97 CG TYR A 7 6.287 -6.528 4.320 1.00 0.00 C ATOM 98 CD1 TYR A 7 7.089 -7.532 3.794 1.00 0.00 C ATOM 99 CD2 TYR A 7 4.967 -6.458 3.917 1.00 0.00 C ATOM 100 CE1 TYR A 7 6.580 -8.443 2.890 1.00 0.00 C ATOM 101 CE2 TYR A 7 4.455 -7.359 3.022 1.00 0.00 C ATOM 102 CZ TYR A 7 5.261 -8.353 2.507 1.00 0.00 C ATOM 103 OH TYR A 7 4.749 -9.258 1.606 1.00 0.00 O ATOM 0 HA TYR A 7 6.892 -5.233 7.428 1.00 0.00 H new ATOM 0 HB2 TYR A 7 6.179 -4.660 5.319 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.809 -5.212 4.991 1.00 0.00 H new ATOM 0 HD1 TYR A 7 8.124 -7.601 4.096 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.330 -5.681 4.314 1.00 0.00 H new ATOM 0 HE1 TYR A 7 7.212 -9.220 2.486 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.420 -7.291 2.719 1.00 0.00 H new ATOM 0 HH TYR A 7 3.804 -9.057 1.442 1.00 0.00 H new ATOM 113 N GLN A 8 4.694 -6.380 7.528 1.00 0.00 N ATOM 114 CA GLN A 8 3.487 -7.099 7.845 1.00 0.00 C ATOM 115 C GLN A 8 2.293 -6.299 7.382 1.00 0.00 C ATOM 116 O GLN A 8 2.218 -5.087 7.596 1.00 0.00 O ATOM 117 CB GLN A 8 3.382 -7.359 9.339 1.00 0.00 C ATOM 118 CG GLN A 8 2.718 -8.682 9.656 1.00 0.00 C ATOM 119 CD GLN A 8 3.524 -9.860 9.156 1.00 0.00 C ATOM 120 OE1 GLN A 8 3.314 -10.340 8.043 1.00 0.00 O ATOM 121 NE2 GLN A 8 4.461 -10.321 9.965 1.00 0.00 N ATOM 0 H GLN A 8 4.640 -5.375 7.693 1.00 0.00 H new ATOM 0 HA GLN A 8 3.511 -8.061 7.333 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.380 -7.344 9.777 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.816 -6.552 9.805 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.581 -8.769 10.734 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.726 -8.706 9.206 1.00 0.00 H new ATOM 0 HE21 GLN A 8 4.601 -9.892 10.880 1.00 0.00 H new ATOM 0 HE22 GLN A 8 5.045 -11.105 9.675 1.00 0.00 H new ATOM 130 N ILE A 9 1.386 -6.978 6.721 1.00 0.00 N ATOM 131 CA ILE A 9 0.161 -6.366 6.261 1.00 0.00 C ATOM 132 C ILE A 9 -0.987 -6.736 7.187 1.00 0.00 C ATOM 133 O ILE A 9 -1.315 -7.912 7.363 1.00 0.00 O ATOM 134 CB ILE A 9 -0.181 -6.784 4.823 1.00 0.00 C ATOM 135 CG1 ILE A 9 0.944 -6.370 3.875 1.00 0.00 C ATOM 136 CG2 ILE A 9 -1.502 -6.168 4.402 1.00 0.00 C ATOM 137 CD1 ILE A 9 0.644 -6.628 2.421 1.00 0.00 C ATOM 0 H ILE A 9 1.475 -7.967 6.487 1.00 0.00 H new ATOM 0 HA ILE A 9 0.310 -5.286 6.271 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.282 -7.868 4.779 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.148 -5.308 4.011 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.852 -6.906 4.149 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.736 -6.470 3.381 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.292 -6.509 5.071 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.429 -5.082 4.451 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.490 -6.308 1.813 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.470 -7.693 2.269 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.245 -6.070 2.128 1.00 0.00 H new ATOM 149 N GLU A 10 -1.581 -5.723 7.774 1.00 0.00 N ATOM 150 CA GLU A 10 -2.649 -5.903 8.730 1.00 0.00 C ATOM 151 C GLU A 10 -3.949 -5.343 8.172 1.00 0.00 C ATOM 152 O GLU A 10 -3.953 -4.611 7.175 1.00 0.00 O ATOM 153 CB GLU A 10 -2.288 -5.195 10.036 1.00 0.00 C ATOM 154 CG GLU A 10 -2.371 -3.679 9.959 1.00 0.00 C ATOM 155 CD GLU A 10 -1.783 -2.999 11.175 1.00 0.00 C ATOM 156 OE1 GLU A 10 -2.433 -3.005 12.245 1.00 0.00 O ATOM 157 OE2 GLU A 10 -0.663 -2.469 11.073 1.00 0.00 O ATOM 0 H GLU A 10 -1.336 -4.748 7.601 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.784 -6.967 8.924 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.954 -5.546 10.824 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.276 -5.479 10.324 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.847 -3.336 9.067 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.414 -3.382 9.850 1.00 0.00 H new ATOM 164 N GLN A 11 -5.050 -5.700 8.803 1.00 0.00 N ATOM 165 CA GLN A 11 -6.339 -5.183 8.406 1.00 0.00 C ATOM 166 C GLN A 11 -6.590 -3.833 9.050 1.00 0.00 C ATOM 167 O GLN A 11 -6.410 -3.651 10.253 1.00 0.00 O ATOM 168 CB GLN A 11 -7.448 -6.177 8.753 1.00 0.00 C ATOM 169 CG GLN A 11 -8.851 -5.628 8.534 1.00 0.00 C ATOM 170 CD GLN A 11 -9.031 -5.044 7.146 1.00 0.00 C ATOM 171 OE1 GLN A 11 -9.780 -4.094 6.950 1.00 0.00 O ATOM 172 NE2 GLN A 11 -8.340 -5.599 6.176 1.00 0.00 N ATOM 0 H GLN A 11 -5.075 -6.346 9.592 1.00 0.00 H new ATOM 0 HA GLN A 11 -6.341 -5.045 7.325 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.321 -7.076 8.149 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -7.343 -6.476 9.796 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.579 -6.425 8.687 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.058 -4.860 9.279 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.726 -6.389 6.375 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.418 -5.240 5.224 1.00 0.00 H new ATOM 181 N LEU A 12 -6.994 -2.898 8.212 1.00 0.00 N ATOM 182 CA LEU A 12 -7.204 -1.524 8.614 1.00 0.00 C ATOM 183 C LEU A 12 -8.505 -1.380 9.399 1.00 0.00 C ATOM 184 O LEU A 12 -8.560 -0.680 10.408 1.00 0.00 O ATOM 185 CB LEU A 12 -7.246 -0.666 7.365 1.00 0.00 C ATOM 186 CG LEU A 12 -6.882 0.803 7.530 1.00 0.00 C ATOM 187 CD1 LEU A 12 -6.269 1.091 8.897 1.00 0.00 C ATOM 188 CD2 LEU A 12 -5.907 1.175 6.440 1.00 0.00 C ATOM 0 H LEU A 12 -7.187 -3.074 7.226 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.390 -1.204 9.265 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.571 -1.103 6.630 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.251 -0.722 6.948 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.792 1.399 7.457 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.025 2.151 8.970 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.982 0.828 9.678 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.361 0.500 9.020 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.633 2.225 6.540 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.013 0.557 6.525 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.370 1.012 5.467 1.00 0.00 H new ATOM 200 N GLY A 13 -9.549 -2.039 8.917 1.00 0.00 N ATOM 201 CA GLY A 13 -10.831 -1.999 9.583 1.00 0.00 C ATOM 202 C GLY A 13 -11.711 -3.135 9.130 1.00 0.00 C ATOM 203 O GLY A 13 -11.910 -4.108 9.860 1.00 0.00 O ATOM 0 H GLY A 13 -9.528 -2.605 8.069 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.686 -2.055 10.662 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.323 -1.049 9.376 1.00 0.00 H new ATOM 207 N ASP A 14 -12.215 -3.025 7.909 1.00 0.00 N ATOM 208 CA ASP A 14 -13.010 -4.089 7.314 1.00 0.00 C ATOM 209 C ASP A 14 -12.719 -4.239 5.822 1.00 0.00 C ATOM 210 O ASP A 14 -12.785 -5.344 5.282 1.00 0.00 O ATOM 211 CB ASP A 14 -14.500 -3.829 7.523 1.00 0.00 C ATOM 212 CG ASP A 14 -15.046 -2.734 6.628 1.00 0.00 C ATOM 213 OD1 ASP A 14 -14.921 -1.543 6.990 1.00 0.00 O ATOM 214 OD2 ASP A 14 -15.601 -3.056 5.558 1.00 0.00 O ATOM 0 H ASP A 14 -12.087 -2.209 7.311 1.00 0.00 H new ATOM 0 HA ASP A 14 -12.733 -5.018 7.813 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.053 -4.750 7.338 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.672 -3.558 8.565 1.00 0.00 H new ATOM 219 N SER A 15 -12.386 -3.136 5.158 1.00 0.00 N ATOM 220 CA SER A 15 -12.168 -3.161 3.717 1.00 0.00 C ATOM 221 C SER A 15 -11.060 -2.197 3.307 1.00 0.00 C ATOM 222 O SER A 15 -11.156 -1.502 2.294 1.00 0.00 O ATOM 223 CB SER A 15 -13.464 -2.826 2.983 1.00 0.00 C ATOM 224 OG SER A 15 -14.148 -1.755 3.613 1.00 0.00 O ATOM 0 H SER A 15 -12.262 -2.221 5.591 1.00 0.00 H new ATOM 0 HA SER A 15 -11.853 -4.167 3.440 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.242 -2.561 1.949 1.00 0.00 H new ATOM 0 HB3 SER A 15 -14.107 -3.706 2.955 1.00 0.00 H new ATOM 0 HG SER A 15 -14.803 -2.113 4.248 1.00 0.00 H new ATOM 230 N ALA A 16 -10.011 -2.163 4.108 1.00 0.00 N ATOM 231 CA ALA A 16 -8.837 -1.361 3.816 1.00 0.00 C ATOM 232 C ALA A 16 -7.611 -2.070 4.367 1.00 0.00 C ATOM 233 O ALA A 16 -7.726 -2.865 5.298 1.00 0.00 O ATOM 234 CB ALA A 16 -8.978 0.029 4.415 1.00 0.00 C ATOM 0 H ALA A 16 -9.949 -2.690 4.979 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.730 -1.243 2.738 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.088 0.616 4.186 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.855 0.520 3.993 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.092 -0.051 5.496 1.00 0.00 H new ATOM 240 N MET A 17 -6.448 -1.816 3.797 1.00 0.00 N ATOM 241 CA MET A 17 -5.253 -2.537 4.229 1.00 0.00 C ATOM 242 C MET A 17 -4.188 -1.599 4.777 1.00 0.00 C ATOM 243 O MET A 17 -4.031 -0.472 4.306 1.00 0.00 O ATOM 244 CB MET A 17 -4.686 -3.381 3.081 1.00 0.00 C ATOM 245 CG MET A 17 -3.408 -2.837 2.463 1.00 0.00 C ATOM 246 SD MET A 17 -2.543 -4.061 1.462 1.00 0.00 S ATOM 247 CE MET A 17 -3.849 -4.579 0.358 1.00 0.00 C ATOM 0 H MET A 17 -6.300 -1.135 3.052 1.00 0.00 H new ATOM 0 HA MET A 17 -5.552 -3.201 5.040 1.00 0.00 H new ATOM 0 HB2 MET A 17 -4.495 -4.389 3.449 1.00 0.00 H new ATOM 0 HB3 MET A 17 -5.443 -3.465 2.301 1.00 0.00 H new ATOM 0 HG2 MET A 17 -3.648 -1.972 1.845 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.746 -2.488 3.256 1.00 0.00 H new ATOM 0 HE1 MET A 17 -3.440 -5.243 -0.403 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.617 -5.106 0.925 1.00 0.00 H new ATOM 0 HE3 MET A 17 -4.288 -3.704 -0.122 1.00 0.00 H new ATOM 257 N MET A 18 -3.463 -2.068 5.781 1.00 0.00 N ATOM 258 CA MET A 18 -2.373 -1.291 6.346 1.00 0.00 C ATOM 259 C MET A 18 -1.110 -2.136 6.442 1.00 0.00 C ATOM 260 O MET A 18 -1.129 -3.245 6.964 1.00 0.00 O ATOM 261 CB MET A 18 -2.772 -0.746 7.711 1.00 0.00 C ATOM 262 CG MET A 18 -1.744 0.174 8.345 1.00 0.00 C ATOM 263 SD MET A 18 -2.367 0.945 9.853 1.00 0.00 S ATOM 264 CE MET A 18 -1.013 2.041 10.265 1.00 0.00 C ATOM 0 H MET A 18 -3.609 -2.978 6.219 1.00 0.00 H new ATOM 0 HA MET A 18 -2.162 -0.447 5.689 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.713 -0.205 7.612 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.955 -1.584 8.384 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.842 -0.393 8.574 1.00 0.00 H new ATOM 0 HG3 MET A 18 -1.461 0.948 7.632 1.00 0.00 H new ATOM 0 HE1 MET A 18 -1.252 2.588 11.177 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.106 1.457 10.419 1.00 0.00 H new ATOM 0 HE3 MET A 18 -0.856 2.747 9.450 1.00 0.00 H new ATOM 274 N ILE A 19 -0.024 -1.601 5.925 1.00 0.00 N ATOM 275 CA ILE A 19 1.240 -2.326 5.849 1.00 0.00 C ATOM 276 C ILE A 19 2.327 -1.572 6.598 1.00 0.00 C ATOM 277 O ILE A 19 2.329 -0.348 6.617 1.00 0.00 O ATOM 278 CB ILE A 19 1.695 -2.491 4.381 1.00 0.00 C ATOM 279 CG1 ILE A 19 0.570 -3.055 3.528 1.00 0.00 C ATOM 280 CG2 ILE A 19 2.906 -3.409 4.294 1.00 0.00 C ATOM 281 CD1 ILE A 19 0.554 -2.506 2.119 1.00 0.00 C ATOM 0 H ILE A 19 0.014 -0.655 5.545 1.00 0.00 H new ATOM 0 HA ILE A 19 1.082 -3.307 6.297 1.00 0.00 H new ATOM 0 HB ILE A 19 1.966 -1.505 4.004 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.664 -4.140 3.487 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.384 -2.836 4.007 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.210 -3.512 3.252 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.727 -2.984 4.872 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.649 -4.389 4.696 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.273 -2.950 1.565 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.430 -1.424 2.152 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.494 -2.748 1.623 1.00 0.00 H new ATOM 293 N ARG A 20 3.232 -2.297 7.227 1.00 0.00 N ATOM 294 CA ARG A 20 4.420 -1.685 7.813 1.00 0.00 C ATOM 295 C ARG A 20 5.638 -2.538 7.494 1.00 0.00 C ATOM 296 O ARG A 20 5.547 -3.759 7.505 1.00 0.00 O ATOM 297 CB ARG A 20 4.274 -1.526 9.337 1.00 0.00 C ATOM 298 CG ARG A 20 4.682 -2.754 10.147 1.00 0.00 C ATOM 299 CD ARG A 20 3.599 -3.823 10.181 1.00 0.00 C ATOM 300 NE ARG A 20 2.405 -3.370 10.887 1.00 0.00 N ATOM 301 CZ ARG A 20 2.346 -3.185 12.210 1.00 0.00 C ATOM 302 NH1 ARG A 20 3.374 -3.511 12.985 1.00 0.00 N ATOM 303 NH2 ARG A 20 1.247 -2.702 12.763 1.00 0.00 N ATOM 0 H ARG A 20 3.172 -3.308 7.348 1.00 0.00 H new ATOM 0 HA ARG A 20 4.543 -0.691 7.384 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.877 -0.677 9.660 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.236 -1.285 9.566 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.592 -3.178 9.722 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.918 -2.449 11.167 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.333 -4.102 9.161 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.989 -4.718 10.665 1.00 0.00 H new ATOM 0 HE ARG A 20 1.565 -3.183 10.339 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.219 -3.906 12.572 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.319 -3.366 13.993 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.443 -2.470 12.180 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.203 -2.561 13.772 1.00 0.00 H new ATOM 317 N PHE A 21 6.761 -1.904 7.179 1.00 0.00 N ATOM 318 CA PHE A 21 8.017 -2.628 6.992 1.00 0.00 C ATOM 319 C PHE A 21 8.905 -2.412 8.212 1.00 0.00 C ATOM 320 O PHE A 21 8.416 -2.272 9.331 1.00 0.00 O ATOM 321 CB PHE A 21 8.781 -2.157 5.746 1.00 0.00 C ATOM 322 CG PHE A 21 8.101 -2.368 4.420 1.00 0.00 C ATOM 323 CD1 PHE A 21 7.071 -1.545 4.008 1.00 0.00 C ATOM 324 CD2 PHE A 21 8.530 -3.371 3.568 1.00 0.00 C ATOM 325 CE1 PHE A 21 6.480 -1.718 2.779 1.00 0.00 C ATOM 326 CE2 PHE A 21 7.936 -3.557 2.335 1.00 0.00 C ATOM 327 CZ PHE A 21 6.908 -2.726 1.940 1.00 0.00 C ATOM 0 H PHE A 21 6.830 -0.895 7.048 1.00 0.00 H new ATOM 0 HA PHE A 21 7.770 -3.682 6.862 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.990 -1.093 5.856 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.742 -2.670 5.721 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.726 -0.756 4.659 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.340 -4.017 3.872 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.679 -1.063 2.470 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.275 -4.349 1.683 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.440 -2.864 0.977 1.00 0.00 H new ATOM 422 N GLN A 28 15.850 2.486 3.277 1.00 0.00 N ATOM 423 CA GLN A 28 15.252 2.108 2.005 1.00 0.00 C ATOM 424 C GLN A 28 13.734 2.237 2.095 1.00 0.00 C ATOM 425 O GLN A 28 13.107 2.915 1.280 1.00 0.00 O ATOM 426 CB GLN A 28 15.660 0.677 1.642 1.00 0.00 C ATOM 427 CG GLN A 28 15.377 0.313 0.197 1.00 0.00 C ATOM 428 CD GLN A 28 13.937 -0.084 -0.053 1.00 0.00 C ATOM 429 OE1 GLN A 28 13.273 -0.647 0.817 1.00 0.00 O ATOM 430 NE2 GLN A 28 13.441 0.228 -1.237 1.00 0.00 N ATOM 0 HA GLN A 28 15.610 2.774 1.220 1.00 0.00 H new ATOM 0 HB2 GLN A 28 16.725 0.551 1.838 1.00 0.00 H new ATOM 0 HB3 GLN A 28 15.131 -0.019 2.293 1.00 0.00 H new ATOM 0 HG2 GLN A 28 15.628 1.162 -0.439 1.00 0.00 H new ATOM 0 HG3 GLN A 28 16.029 -0.509 -0.097 1.00 0.00 H new ATOM 0 HE21 GLN A 28 14.028 0.695 -1.929 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.471 0.002 -1.459 1.00 0.00 H new ATOM 439 N VAL A 29 13.162 1.604 3.112 1.00 0.00 N ATOM 440 CA VAL A 29 11.727 1.670 3.351 1.00 0.00 C ATOM 441 C VAL A 29 11.294 3.102 3.611 1.00 0.00 C ATOM 442 O VAL A 29 10.361 3.594 2.988 1.00 0.00 O ATOM 443 CB VAL A 29 11.315 0.805 4.558 1.00 0.00 C ATOM 444 CG1 VAL A 29 9.827 0.955 4.846 1.00 0.00 C ATOM 445 CG2 VAL A 29 11.675 -0.649 4.313 1.00 0.00 C ATOM 0 H VAL A 29 13.674 1.036 3.787 1.00 0.00 H new ATOM 0 HA VAL A 29 11.236 1.289 2.455 1.00 0.00 H new ATOM 0 HB VAL A 29 11.863 1.151 5.434 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.558 0.336 5.702 1.00 0.00 H new ATOM 0 HG12 VAL A 29 9.603 1.998 5.068 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.254 0.638 3.975 1.00 0.00 H new ATOM 0 HG21 VAL A 29 11.378 -1.247 5.174 1.00 0.00 H new ATOM 0 HG22 VAL A 29 11.155 -1.008 3.425 1.00 0.00 H new ATOM 0 HG23 VAL A 29 12.751 -0.737 4.164 1.00 0.00 H new ATOM 455 N ASN A 30 12.010 3.755 4.522 1.00 0.00 N ATOM 456 CA ASN A 30 11.721 5.129 4.942 1.00 0.00 C ATOM 457 C ASN A 30 11.403 6.044 3.756 1.00 0.00 C ATOM 458 O ASN A 30 10.490 6.870 3.827 1.00 0.00 O ATOM 459 CB ASN A 30 12.934 5.672 5.700 1.00 0.00 C ATOM 460 CG ASN A 30 12.730 7.062 6.271 1.00 0.00 C ATOM 461 OD1 ASN A 30 11.643 7.415 6.725 1.00 0.00 O ATOM 462 ND2 ASN A 30 13.780 7.863 6.237 1.00 0.00 N ATOM 0 H ASN A 30 12.815 3.345 4.995 1.00 0.00 H new ATOM 0 HA ASN A 30 10.838 5.112 5.581 1.00 0.00 H new ATOM 0 HB2 ASN A 30 13.178 4.988 6.513 1.00 0.00 H new ATOM 0 HB3 ASN A 30 13.792 5.688 5.028 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.707 8.815 6.596 1.00 0.00 H new ATOM 0 HD22 ASN A 30 14.664 7.530 5.852 1.00 0.00 H new ATOM 469 N GLY A 31 12.146 5.891 2.668 1.00 0.00 N ATOM 470 CA GLY A 31 11.912 6.711 1.500 1.00 0.00 C ATOM 471 C GLY A 31 10.919 6.086 0.543 1.00 0.00 C ATOM 472 O GLY A 31 10.025 6.763 0.030 1.00 0.00 O ATOM 0 H GLY A 31 12.904 5.215 2.575 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.544 7.688 1.814 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.856 6.877 0.982 1.00 0.00 H new ATOM 476 N ILE A 32 11.051 4.785 0.321 1.00 0.00 N ATOM 477 CA ILE A 32 10.253 4.110 -0.691 1.00 0.00 C ATOM 478 C ILE A 32 8.799 3.952 -0.259 1.00 0.00 C ATOM 479 O ILE A 32 7.917 3.903 -1.095 1.00 0.00 O ATOM 480 CB ILE A 32 10.852 2.738 -1.083 1.00 0.00 C ATOM 481 CG1 ILE A 32 10.880 2.602 -2.611 1.00 0.00 C ATOM 482 CG2 ILE A 32 10.092 1.578 -0.443 1.00 0.00 C ATOM 483 CD1 ILE A 32 9.514 2.647 -3.295 1.00 0.00 C ATOM 0 H ILE A 32 11.699 4.180 0.825 1.00 0.00 H new ATOM 0 HA ILE A 32 10.275 4.750 -1.573 1.00 0.00 H new ATOM 0 HB ILE A 32 11.872 2.693 -0.702 1.00 0.00 H new ATOM 0 HG12 ILE A 32 11.499 3.401 -3.019 1.00 0.00 H new ATOM 0 HG13 ILE A 32 11.365 1.660 -2.867 1.00 0.00 H new ATOM 0 HG21 ILE A 32 10.546 0.634 -0.745 1.00 0.00 H new ATOM 0 HG22 ILE A 32 10.134 1.670 0.642 1.00 0.00 H new ATOM 0 HG23 ILE A 32 9.052 1.601 -0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.643 2.543 -4.372 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.894 1.831 -2.923 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.030 3.599 -3.078 1.00 0.00 H new ATOM 495 N VAL A 33 8.536 3.893 1.034 1.00 0.00 N ATOM 496 CA VAL A 33 7.167 3.777 1.507 1.00 0.00 C ATOM 497 C VAL A 33 6.433 5.097 1.269 1.00 0.00 C ATOM 498 O VAL A 33 5.215 5.130 1.090 1.00 0.00 O ATOM 499 CB VAL A 33 7.108 3.354 2.985 1.00 0.00 C ATOM 500 CG1 VAL A 33 7.671 4.427 3.882 1.00 0.00 C ATOM 501 CG2 VAL A 33 5.696 2.997 3.395 1.00 0.00 C ATOM 0 H VAL A 33 9.243 3.923 1.769 1.00 0.00 H new ATOM 0 HA VAL A 33 6.668 2.990 0.942 1.00 0.00 H new ATOM 0 HB VAL A 33 7.726 2.464 3.097 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.616 4.099 4.920 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.711 4.615 3.616 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.094 5.343 3.760 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.685 2.702 4.444 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.047 3.861 3.254 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.337 2.170 2.782 1.00 0.00 H new ATOM 511 N HIS A 34 7.199 6.186 1.253 1.00 0.00 N ATOM 512 CA HIS A 34 6.671 7.494 0.889 1.00 0.00 C ATOM 513 C HIS A 34 6.361 7.524 -0.604 1.00 0.00 C ATOM 514 O HIS A 34 5.387 8.135 -1.038 1.00 0.00 O ATOM 515 CB HIS A 34 7.680 8.594 1.247 1.00 0.00 C ATOM 516 CG HIS A 34 7.238 9.980 0.871 1.00 0.00 C ATOM 517 ND1 HIS A 34 7.885 10.743 -0.075 1.00 0.00 N ATOM 518 CD2 HIS A 34 6.215 10.740 1.328 1.00 0.00 C ATOM 519 CE1 HIS A 34 7.281 11.912 -0.183 1.00 0.00 C ATOM 520 NE2 HIS A 34 6.264 11.937 0.658 1.00 0.00 N ATOM 0 H HIS A 34 8.191 6.185 1.489 1.00 0.00 H new ATOM 0 HA HIS A 34 5.752 7.676 1.447 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.869 8.563 2.320 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.626 8.379 0.751 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.494 10.457 2.080 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.570 12.713 -0.847 1.00 0.00 H new ATOM 0 HE2 HIS A 34 5.620 12.717 0.789 1.00 0.00 H new ATOM 529 N ALA A 35 7.192 6.843 -1.382 1.00 0.00 N ATOM 530 CA ALA A 35 7.015 6.781 -2.826 1.00 0.00 C ATOM 531 C ALA A 35 6.026 5.685 -3.209 1.00 0.00 C ATOM 532 O ALA A 35 5.457 5.699 -4.299 1.00 0.00 O ATOM 533 CB ALA A 35 8.351 6.544 -3.509 1.00 0.00 C ATOM 0 H ALA A 35 7.998 6.324 -1.035 1.00 0.00 H new ATOM 0 HA ALA A 35 6.610 7.736 -3.160 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.205 6.500 -4.588 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.033 7.360 -3.268 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.775 5.602 -3.161 1.00 0.00 H new ATOM 539 N ALA A 36 5.826 4.741 -2.295 1.00 0.00 N ATOM 540 CA ALA A 36 4.980 3.579 -2.535 1.00 0.00 C ATOM 541 C ALA A 36 3.544 3.991 -2.797 1.00 0.00 C ATOM 542 O ALA A 36 2.797 3.276 -3.460 1.00 0.00 O ATOM 543 CB ALA A 36 5.040 2.617 -1.360 1.00 0.00 C ATOM 0 H ALA A 36 6.247 4.761 -1.366 1.00 0.00 H new ATOM 0 HA ALA A 36 5.359 3.073 -3.423 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.401 1.757 -1.561 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.067 2.281 -1.217 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.695 3.122 -0.458 1.00 0.00 H new ATOM 549 N ALA A 37 3.170 5.156 -2.293 1.00 0.00 N ATOM 550 CA ALA A 37 1.840 5.678 -2.514 1.00 0.00 C ATOM 551 C ALA A 37 1.659 5.939 -3.996 1.00 0.00 C ATOM 552 O ALA A 37 0.671 5.529 -4.604 1.00 0.00 O ATOM 553 CB ALA A 37 1.631 6.953 -1.713 1.00 0.00 C ATOM 0 H ALA A 37 3.772 5.755 -1.728 1.00 0.00 H new ATOM 0 HA ALA A 37 1.099 4.952 -2.181 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.625 7.333 -1.890 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.757 6.740 -0.651 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.361 7.701 -2.022 1.00 0.00 H new ATOM 559 N ALA A 38 2.659 6.581 -4.579 1.00 0.00 N ATOM 560 CA ALA A 38 2.646 6.872 -5.996 1.00 0.00 C ATOM 561 C ALA A 38 2.972 5.620 -6.802 1.00 0.00 C ATOM 562 O ALA A 38 2.550 5.475 -7.948 1.00 0.00 O ATOM 563 CB ALA A 38 3.617 7.994 -6.322 1.00 0.00 C ATOM 0 H ALA A 38 3.490 6.910 -4.088 1.00 0.00 H new ATOM 0 HA ALA A 38 1.644 7.202 -6.270 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.592 8.197 -7.393 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.331 8.893 -5.775 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.625 7.698 -6.032 1.00 0.00 H new ATOM 569 N TYR A 39 3.728 4.716 -6.193 1.00 0.00 N ATOM 570 CA TYR A 39 4.077 3.448 -6.822 1.00 0.00 C ATOM 571 C TYR A 39 2.809 2.660 -7.155 1.00 0.00 C ATOM 572 O TYR A 39 2.657 2.134 -8.259 1.00 0.00 O ATOM 573 CB TYR A 39 4.972 2.626 -5.892 1.00 0.00 C ATOM 574 CG TYR A 39 5.745 1.537 -6.599 1.00 0.00 C ATOM 575 CD1 TYR A 39 5.149 0.326 -6.926 1.00 0.00 C ATOM 576 CD2 TYR A 39 7.077 1.727 -6.941 1.00 0.00 C ATOM 577 CE1 TYR A 39 5.860 -0.666 -7.571 1.00 0.00 C ATOM 578 CE2 TYR A 39 7.794 0.741 -7.587 1.00 0.00 C ATOM 579 CZ TYR A 39 7.182 -0.453 -7.899 1.00 0.00 C ATOM 580 OH TYR A 39 7.899 -1.436 -8.539 1.00 0.00 O ATOM 0 H TYR A 39 4.114 4.839 -5.257 1.00 0.00 H new ATOM 0 HA TYR A 39 4.620 3.653 -7.745 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.675 3.294 -5.395 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.356 2.175 -5.114 1.00 0.00 H new ATOM 0 HD1 TYR A 39 4.113 0.158 -6.672 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.560 2.662 -6.697 1.00 0.00 H new ATOM 0 HE1 TYR A 39 5.383 -1.603 -7.817 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.830 0.904 -7.847 1.00 0.00 H new ATOM 0 HH TYR A 39 8.814 -1.123 -8.698 1.00 0.00 H new ATOM 590 N ILE A 40 1.886 2.614 -6.197 1.00 0.00 N ATOM 591 CA ILE A 40 0.657 1.850 -6.347 1.00 0.00 C ATOM 592 C ILE A 40 -0.294 2.514 -7.334 1.00 0.00 C ATOM 593 O ILE A 40 -1.019 1.840 -8.059 1.00 0.00 O ATOM 594 CB ILE A 40 -0.048 1.686 -4.983 1.00 0.00 C ATOM 595 CG1 ILE A 40 0.842 0.892 -4.034 1.00 0.00 C ATOM 596 CG2 ILE A 40 -1.403 1.003 -5.137 1.00 0.00 C ATOM 597 CD1 ILE A 40 0.455 1.051 -2.586 1.00 0.00 C ATOM 0 H ILE A 40 1.970 3.101 -5.305 1.00 0.00 H new ATOM 0 HA ILE A 40 0.928 0.868 -6.736 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.223 2.678 -4.567 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.797 -0.164 -4.302 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.876 1.210 -4.164 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.873 0.903 -4.159 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.041 1.602 -5.786 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.265 0.015 -5.576 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.127 0.461 -1.963 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.527 2.101 -2.303 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.569 0.706 -2.443 1.00 0.00 H new ATOM 609 N GLU A 41 -0.285 3.838 -7.379 1.00 0.00 N ATOM 610 CA GLU A 41 -1.226 4.552 -8.225 1.00 0.00 C ATOM 611 C GLU A 41 -0.790 4.502 -9.692 1.00 0.00 C ATOM 612 O GLU A 41 -1.603 4.700 -10.598 1.00 0.00 O ATOM 613 CB GLU A 41 -1.407 5.994 -7.748 1.00 0.00 C ATOM 614 CG GLU A 41 -0.233 6.913 -8.042 1.00 0.00 C ATOM 615 CD GLU A 41 -0.551 8.362 -7.741 1.00 0.00 C ATOM 616 OE1 GLU A 41 -1.291 8.987 -8.535 1.00 0.00 O ATOM 617 OE2 GLU A 41 -0.080 8.883 -6.711 1.00 0.00 O ATOM 0 H GLU A 41 0.353 4.431 -6.848 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.193 4.055 -8.149 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.300 6.407 -8.216 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.585 5.987 -6.673 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.627 6.601 -7.450 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.049 6.815 -9.090 1.00 0.00 H new ATOM 624 N GLU A 42 0.491 4.228 -9.924 1.00 0.00 N ATOM 625 CA GLU A 42 0.990 4.053 -11.281 1.00 0.00 C ATOM 626 C GLU A 42 0.676 2.649 -11.781 1.00 0.00 C ATOM 627 O GLU A 42 0.440 2.446 -12.971 1.00 0.00 O ATOM 628 CB GLU A 42 2.495 4.313 -11.362 1.00 0.00 C ATOM 629 CG GLU A 42 2.878 5.762 -11.113 1.00 0.00 C ATOM 630 CD GLU A 42 4.296 6.070 -11.544 1.00 0.00 C ATOM 631 OE1 GLU A 42 5.230 5.856 -10.747 1.00 0.00 O ATOM 632 OE2 GLU A 42 4.484 6.527 -12.691 1.00 0.00 O ATOM 0 H GLU A 42 1.196 4.123 -9.195 1.00 0.00 H new ATOM 0 HA GLU A 42 0.488 4.782 -11.917 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.004 3.682 -10.634 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.854 4.016 -12.347 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.189 6.414 -11.650 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.767 5.986 -10.052 1.00 0.00 H new ATOM 639 N GLN A 43 0.667 1.684 -10.869 1.00 0.00 N ATOM 640 CA GLN A 43 0.311 0.313 -11.213 1.00 0.00 C ATOM 641 C GLN A 43 -0.808 -0.174 -10.297 1.00 0.00 C ATOM 642 O GLN A 43 -0.586 -0.986 -9.398 1.00 0.00 O ATOM 643 CB GLN A 43 1.536 -0.590 -11.122 1.00 0.00 C ATOM 644 CG GLN A 43 2.628 -0.152 -12.078 1.00 0.00 C ATOM 645 CD GLN A 43 3.965 -0.802 -11.801 1.00 0.00 C ATOM 646 OE1 GLN A 43 4.036 -1.946 -11.359 1.00 0.00 O ATOM 647 NE2 GLN A 43 5.038 -0.070 -12.042 1.00 0.00 N ATOM 0 H GLN A 43 0.902 1.825 -9.887 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.050 0.280 -12.241 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.920 -0.580 -10.102 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.248 -1.617 -11.345 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.323 -0.386 -13.098 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.740 0.931 -12.019 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.938 0.876 -12.409 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.967 -0.451 -11.861 1.00 0.00 H new ATOM 656 N PRO A 44 -2.029 0.337 -10.516 1.00 0.00 N ATOM 657 CA PRO A 44 -3.157 0.154 -9.618 1.00 0.00 C ATOM 658 C PRO A 44 -4.109 -0.960 -10.036 1.00 0.00 C ATOM 659 O PRO A 44 -3.777 -1.839 -10.833 1.00 0.00 O ATOM 660 CB PRO A 44 -3.851 1.507 -9.748 1.00 0.00 C ATOM 661 CG PRO A 44 -3.629 1.920 -11.171 1.00 0.00 C ATOM 662 CD PRO A 44 -2.421 1.159 -11.671 1.00 0.00 C ATOM 0 HA PRO A 44 -2.845 -0.135 -8.614 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.914 1.429 -9.521 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.430 2.235 -9.055 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.505 1.694 -11.779 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.462 2.995 -11.239 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.665 0.544 -12.537 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.620 1.833 -11.974 1.00 0.00 H new ATOM 670 N PHE A 45 -5.290 -0.905 -9.448 1.00 0.00 N ATOM 671 CA PHE A 45 -6.391 -1.788 -9.765 1.00 0.00 C ATOM 672 C PHE A 45 -7.658 -0.941 -9.809 1.00 0.00 C ATOM 673 O PHE A 45 -7.759 0.044 -9.081 1.00 0.00 O ATOM 674 CB PHE A 45 -6.492 -2.909 -8.719 1.00 0.00 C ATOM 675 CG PHE A 45 -6.160 -2.464 -7.320 1.00 0.00 C ATOM 676 CD1 PHE A 45 -7.104 -1.824 -6.539 1.00 0.00 C ATOM 677 CD2 PHE A 45 -4.897 -2.684 -6.792 1.00 0.00 C ATOM 678 CE1 PHE A 45 -6.799 -1.411 -5.257 1.00 0.00 C ATOM 679 CE2 PHE A 45 -4.585 -2.274 -5.511 1.00 0.00 C ATOM 680 CZ PHE A 45 -5.537 -1.635 -4.743 1.00 0.00 C ATOM 0 H PHE A 45 -5.513 -0.227 -8.719 1.00 0.00 H new ATOM 0 HA PHE A 45 -6.241 -2.272 -10.730 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.504 -3.315 -8.731 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.820 -3.719 -9.002 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -8.092 -1.645 -6.936 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.148 -3.182 -7.390 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.547 -0.913 -4.657 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.598 -2.453 -5.111 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.295 -1.311 -3.742 1.00 0.00 H new ATOM 690 N PRO A 46 -8.612 -1.282 -10.693 1.00 0.00 N ATOM 691 CA PRO A 46 -9.785 -0.433 -11.002 1.00 0.00 C ATOM 692 C PRO A 46 -10.603 0.007 -9.782 1.00 0.00 C ATOM 693 O PRO A 46 -11.412 0.930 -9.878 1.00 0.00 O ATOM 694 CB PRO A 46 -10.630 -1.324 -11.911 1.00 0.00 C ATOM 695 CG PRO A 46 -9.652 -2.244 -12.541 1.00 0.00 C ATOM 696 CD PRO A 46 -8.626 -2.528 -11.484 1.00 0.00 C ATOM 0 HA PRO A 46 -9.466 0.510 -11.446 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -11.382 -1.872 -11.343 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -11.162 -0.737 -12.660 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.136 -3.162 -12.874 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -9.194 -1.788 -13.419 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.901 -3.389 -10.875 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.649 -2.742 -11.917 1.00 0.00 H new ATOM 704 N GLY A 47 -10.397 -0.650 -8.647 1.00 0.00 N ATOM 705 CA GLY A 47 -11.118 -0.294 -7.440 1.00 0.00 C ATOM 706 C GLY A 47 -10.239 0.410 -6.426 1.00 0.00 C ATOM 707 O GLY A 47 -10.571 0.477 -5.248 1.00 0.00 O ATOM 0 H GLY A 47 -9.742 -1.425 -8.541 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.957 0.351 -7.699 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.536 -1.195 -6.991 1.00 0.00 H new ATOM 711 N PHE A 48 -9.099 0.908 -6.874 1.00 0.00 N ATOM 712 CA PHE A 48 -8.202 1.666 -6.011 1.00 0.00 C ATOM 713 C PHE A 48 -8.855 2.956 -5.526 1.00 0.00 C ATOM 714 O PHE A 48 -9.395 3.730 -6.316 1.00 0.00 O ATOM 715 CB PHE A 48 -6.906 1.969 -6.769 1.00 0.00 C ATOM 716 CG PHE A 48 -6.020 2.982 -6.104 1.00 0.00 C ATOM 717 CD1 PHE A 48 -5.372 2.687 -4.917 1.00 0.00 C ATOM 718 CD2 PHE A 48 -5.832 4.230 -6.676 1.00 0.00 C ATOM 719 CE1 PHE A 48 -4.551 3.618 -4.315 1.00 0.00 C ATOM 720 CE2 PHE A 48 -5.015 5.165 -6.076 1.00 0.00 C ATOM 721 CZ PHE A 48 -4.373 4.860 -4.896 1.00 0.00 C ATOM 0 H PHE A 48 -8.770 0.802 -7.834 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.976 1.066 -5.130 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.347 1.042 -6.893 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.159 2.325 -7.768 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.510 1.719 -4.458 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.331 4.473 -7.602 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.048 3.377 -3.390 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.879 6.135 -6.531 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.731 5.590 -4.425 1.00 0.00 H new ATOM 731 N ILE A 49 -8.792 3.178 -4.219 1.00 0.00 N ATOM 732 CA ILE A 49 -9.394 4.354 -3.615 1.00 0.00 C ATOM 733 C ILE A 49 -8.334 5.385 -3.252 1.00 0.00 C ATOM 734 O ILE A 49 -8.329 6.490 -3.790 1.00 0.00 O ATOM 735 CB ILE A 49 -10.212 3.981 -2.359 1.00 0.00 C ATOM 736 CG1 ILE A 49 -11.417 3.126 -2.751 1.00 0.00 C ATOM 737 CG2 ILE A 49 -10.662 5.220 -1.594 1.00 0.00 C ATOM 738 CD1 ILE A 49 -12.370 3.798 -3.714 1.00 0.00 C ATOM 0 H ILE A 49 -8.328 2.555 -3.558 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.068 4.788 -4.353 1.00 0.00 H new ATOM 0 HB ILE A 49 -9.566 3.404 -1.697 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -11.060 2.199 -3.199 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -11.963 2.853 -1.848 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -11.235 4.918 -0.717 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.788 5.790 -1.278 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -11.286 5.839 -2.239 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.196 3.123 -3.939 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -12.760 4.710 -3.263 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.842 4.046 -4.635 1.00 0.00 H new ATOM 750 N GLU A 50 -7.422 5.015 -2.363 1.00 0.00 N ATOM 751 CA GLU A 50 -6.425 5.956 -1.868 1.00 0.00 C ATOM 752 C GLU A 50 -5.257 5.212 -1.234 1.00 0.00 C ATOM 753 O GLU A 50 -5.394 4.070 -0.813 1.00 0.00 O ATOM 754 CB GLU A 50 -7.063 6.908 -0.849 1.00 0.00 C ATOM 755 CG GLU A 50 -6.135 8.017 -0.373 1.00 0.00 C ATOM 756 CD GLU A 50 -6.852 9.080 0.433 1.00 0.00 C ATOM 757 OE1 GLU A 50 -6.983 8.917 1.662 1.00 0.00 O ATOM 758 OE2 GLU A 50 -7.285 10.088 -0.165 1.00 0.00 O ATOM 0 H GLU A 50 -7.351 4.076 -1.971 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.047 6.538 -2.709 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.951 7.357 -1.293 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.395 6.331 0.014 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.340 7.583 0.233 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.660 8.482 -1.237 1.00 0.00 H new ATOM 765 N CYS A 51 -4.114 5.861 -1.178 1.00 0.00 N ATOM 766 CA CYS A 51 -2.937 5.290 -0.559 1.00 0.00 C ATOM 767 C CYS A 51 -2.132 6.394 0.101 1.00 0.00 C ATOM 768 O CYS A 51 -1.700 7.339 -0.561 1.00 0.00 O ATOM 769 CB CYS A 51 -2.094 4.569 -1.604 1.00 0.00 C ATOM 770 SG CYS A 51 -1.775 5.567 -3.080 1.00 0.00 S ATOM 0 H CYS A 51 -3.974 6.797 -1.559 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.239 4.566 0.198 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -1.143 4.280 -1.157 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.601 3.650 -1.898 1.00 0.00 H new ATOM 0 HG CYS A 51 -0.760 5.074 -3.726 1.00 0.00 H new ATOM 776 N ILE A 52 -1.951 6.296 1.401 1.00 0.00 N ATOM 777 CA ILE A 52 -1.225 7.317 2.132 1.00 0.00 C ATOM 778 C ILE A 52 -0.063 6.723 2.911 1.00 0.00 C ATOM 779 O ILE A 52 -0.212 5.718 3.610 1.00 0.00 O ATOM 780 CB ILE A 52 -2.153 8.105 3.074 1.00 0.00 C ATOM 781 CG1 ILE A 52 -3.119 7.162 3.794 1.00 0.00 C ATOM 782 CG2 ILE A 52 -2.915 9.151 2.279 1.00 0.00 C ATOM 783 CD1 ILE A 52 -3.944 7.832 4.874 1.00 0.00 C ATOM 0 H ILE A 52 -2.294 5.524 1.973 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.822 8.010 1.394 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.549 8.606 3.831 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.792 6.718 3.060 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.550 6.346 4.239 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.572 9.708 2.947 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.209 9.836 1.809 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.511 8.660 1.510 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.603 7.097 5.337 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.281 8.252 5.630 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.542 8.629 4.433 1.00 0.00 H new ATOM 795 N PRO A 53 1.121 7.334 2.780 1.00 0.00 N ATOM 796 CA PRO A 53 2.335 6.865 3.432 1.00 0.00 C ATOM 797 C PRO A 53 2.392 7.251 4.905 1.00 0.00 C ATOM 798 O PRO A 53 1.863 8.286 5.312 1.00 0.00 O ATOM 799 CB PRO A 53 3.466 7.567 2.664 1.00 0.00 C ATOM 800 CG PRO A 53 2.808 8.378 1.588 1.00 0.00 C ATOM 801 CD PRO A 53 1.373 8.541 1.984 1.00 0.00 C ATOM 0 HA PRO A 53 2.399 5.777 3.412 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.049 8.204 3.329 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.154 6.839 2.235 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.293 9.349 1.485 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.888 7.877 0.623 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.213 9.450 2.564 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.717 8.598 1.115 1.00 0.00 H new ATOM 809 N ALA A 54 3.039 6.414 5.696 1.00 0.00 N ATOM 810 CA ALA A 54 3.228 6.692 7.111 1.00 0.00 C ATOM 811 C ALA A 54 4.715 6.731 7.441 1.00 0.00 C ATOM 812 O ALA A 54 5.113 6.580 8.595 1.00 0.00 O ATOM 813 CB ALA A 54 2.506 5.657 7.964 1.00 0.00 C ATOM 0 H ALA A 54 3.444 5.532 5.382 1.00 0.00 H new ATOM 0 HA ALA A 54 2.798 7.668 7.338 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.660 5.883 9.019 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.440 5.681 7.740 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.901 4.665 7.744 1.00 0.00 H new ATOM 819 N PHE A 55 5.525 6.888 6.390 1.00 0.00 N ATOM 820 CA PHE A 55 6.981 7.077 6.495 1.00 0.00 C ATOM 821 C PHE A 55 7.713 5.799 6.916 1.00 0.00 C ATOM 822 O PHE A 55 8.899 5.631 6.632 1.00 0.00 O ATOM 823 CB PHE A 55 7.306 8.242 7.426 1.00 0.00 C ATOM 824 CG PHE A 55 6.605 9.512 7.029 1.00 0.00 C ATOM 825 CD1 PHE A 55 6.757 10.030 5.752 1.00 0.00 C ATOM 826 CD2 PHE A 55 5.776 10.174 7.919 1.00 0.00 C ATOM 827 CE1 PHE A 55 6.102 11.184 5.373 1.00 0.00 C ATOM 828 CE2 PHE A 55 5.114 11.329 7.544 1.00 0.00 C ATOM 829 CZ PHE A 55 5.279 11.834 6.270 1.00 0.00 C ATOM 0 H PHE A 55 5.187 6.888 5.428 1.00 0.00 H new ATOM 0 HA PHE A 55 7.347 7.322 5.498 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.023 7.978 8.445 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.383 8.411 7.428 1.00 0.00 H new ATOM 0 HD1 PHE A 55 7.397 9.524 5.044 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.645 9.784 8.918 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.233 11.578 4.376 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.469 11.835 8.247 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.765 12.737 5.976 1.00 0.00 H new ATOM 839 N THR A 56 7.008 4.909 7.588 1.00 0.00 N ATOM 840 CA THR A 56 7.512 3.573 7.858 1.00 0.00 C ATOM 841 C THR A 56 6.413 2.543 7.601 1.00 0.00 C ATOM 842 O THR A 56 6.655 1.333 7.579 1.00 0.00 O ATOM 843 CB THR A 56 8.038 3.448 9.305 1.00 0.00 C ATOM 844 OG1 THR A 56 8.507 2.119 9.554 1.00 0.00 O ATOM 845 CG2 THR A 56 6.957 3.811 10.314 1.00 0.00 C ATOM 0 H THR A 56 6.076 5.088 7.961 1.00 0.00 H new ATOM 0 HA THR A 56 8.349 3.383 7.186 1.00 0.00 H new ATOM 0 HB THR A 56 8.867 4.147 9.420 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.124 1.507 8.891 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.355 3.714 11.324 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.635 4.839 10.148 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.106 3.140 10.193 1.00 0.00 H new ATOM 853 N SER A 57 5.205 3.048 7.381 1.00 0.00 N ATOM 854 CA SER A 57 4.051 2.211 7.109 1.00 0.00 C ATOM 855 C SER A 57 3.322 2.732 5.873 1.00 0.00 C ATOM 856 O SER A 57 3.575 3.851 5.426 1.00 0.00 O ATOM 857 CB SER A 57 3.114 2.202 8.320 1.00 0.00 C ATOM 858 OG SER A 57 3.817 1.865 9.505 1.00 0.00 O ATOM 0 H SER A 57 5.002 4.048 7.387 1.00 0.00 H new ATOM 0 HA SER A 57 4.381 1.189 6.920 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.652 3.183 8.434 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.308 1.487 8.155 1.00 0.00 H new ATOM 0 HG SER A 57 3.198 1.868 10.265 1.00 0.00 H new ATOM 864 N LEU A 58 2.434 1.927 5.320 1.00 0.00 N ATOM 865 CA LEU A 58 1.689 2.306 4.133 1.00 0.00 C ATOM 866 C LEU A 58 0.209 2.012 4.339 1.00 0.00 C ATOM 867 O LEU A 58 -0.171 0.893 4.687 1.00 0.00 O ATOM 868 CB LEU A 58 2.223 1.550 2.915 1.00 0.00 C ATOM 869 CG LEU A 58 1.617 1.949 1.565 1.00 0.00 C ATOM 870 CD1 LEU A 58 1.931 3.402 1.235 1.00 0.00 C ATOM 871 CD2 LEU A 58 2.136 1.030 0.472 1.00 0.00 C ATOM 0 H LEU A 58 2.210 0.998 5.677 1.00 0.00 H new ATOM 0 HA LEU A 58 1.812 3.374 3.956 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.302 1.695 2.865 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.052 0.485 3.068 1.00 0.00 H new ATOM 0 HG LEU A 58 0.534 1.847 1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.490 3.660 0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.517 4.049 2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.011 3.539 1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.701 1.320 -0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.222 1.109 0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.858 0.001 0.700 1.00 0.00 H new ATOM 883 N THR A 59 -0.618 3.020 4.139 1.00 0.00 N ATOM 884 CA THR A 59 -2.044 2.893 4.362 1.00 0.00 C ATOM 885 C THR A 59 -2.774 2.830 3.022 1.00 0.00 C ATOM 886 O THR A 59 -2.879 3.836 2.319 1.00 0.00 O ATOM 887 CB THR A 59 -2.558 4.095 5.172 1.00 0.00 C ATOM 888 OG1 THR A 59 -1.477 4.663 5.928 1.00 0.00 O ATOM 889 CG2 THR A 59 -3.664 3.680 6.123 1.00 0.00 C ATOM 0 H THR A 59 -0.323 3.943 3.820 1.00 0.00 H new ATOM 0 HA THR A 59 -2.234 1.977 4.921 1.00 0.00 H new ATOM 0 HB THR A 59 -2.957 4.830 4.473 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.889 5.169 5.329 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.008 4.550 6.683 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.495 3.262 5.555 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.285 2.929 6.816 1.00 0.00 H new ATOM 897 N VAL A 60 -3.261 1.651 2.666 1.00 0.00 N ATOM 898 CA VAL A 60 -3.866 1.445 1.360 1.00 0.00 C ATOM 899 C VAL A 60 -5.373 1.267 1.471 1.00 0.00 C ATOM 900 O VAL A 60 -5.867 0.305 2.067 1.00 0.00 O ATOM 901 CB VAL A 60 -3.248 0.229 0.637 1.00 0.00 C ATOM 902 CG1 VAL A 60 -3.836 0.071 -0.759 1.00 0.00 C ATOM 903 CG2 VAL A 60 -1.736 0.368 0.574 1.00 0.00 C ATOM 0 H VAL A 60 -3.249 0.824 3.263 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.662 2.339 0.771 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.490 -0.670 1.205 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.385 -0.792 -1.248 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.914 -0.076 -0.685 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.631 0.968 -1.344 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.312 -0.496 0.062 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.476 1.276 0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.333 0.424 1.585 1.00 0.00 H new ATOM 913 N PHE A 61 -6.095 2.211 0.899 1.00 0.00 N ATOM 914 CA PHE A 61 -7.542 2.177 0.870 1.00 0.00 C ATOM 915 C PHE A 61 -8.007 1.795 -0.524 1.00 0.00 C ATOM 916 O PHE A 61 -7.381 2.160 -1.522 1.00 0.00 O ATOM 917 CB PHE A 61 -8.105 3.541 1.249 1.00 0.00 C ATOM 918 CG PHE A 61 -7.735 3.996 2.633 1.00 0.00 C ATOM 919 CD1 PHE A 61 -6.505 4.592 2.880 1.00 0.00 C ATOM 920 CD2 PHE A 61 -8.622 3.837 3.686 1.00 0.00 C ATOM 921 CE1 PHE A 61 -6.172 5.018 4.150 1.00 0.00 C ATOM 922 CE2 PHE A 61 -8.290 4.260 4.958 1.00 0.00 C ATOM 923 CZ PHE A 61 -7.066 4.852 5.190 1.00 0.00 C ATOM 0 H PHE A 61 -5.691 3.027 0.439 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.900 1.439 1.588 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.753 4.280 0.529 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -9.191 3.509 1.167 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.802 4.723 2.070 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.583 3.377 3.510 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.213 5.481 4.331 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -8.989 4.127 5.771 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.807 5.186 6.184 1.00 0.00 H new ATOM 933 N TYR A 62 -9.114 1.085 -0.599 1.00 0.00 N ATOM 934 CA TYR A 62 -9.570 0.526 -1.858 1.00 0.00 C ATOM 935 C TYR A 62 -11.022 0.101 -1.760 1.00 0.00 C ATOM 936 O TYR A 62 -11.618 0.119 -0.681 1.00 0.00 O ATOM 937 CB TYR A 62 -8.695 -0.664 -2.272 1.00 0.00 C ATOM 938 CG TYR A 62 -8.341 -1.587 -1.128 1.00 0.00 C ATOM 939 CD1 TYR A 62 -9.304 -2.380 -0.520 1.00 0.00 C ATOM 940 CD2 TYR A 62 -7.042 -1.651 -0.645 1.00 0.00 C ATOM 941 CE1 TYR A 62 -8.982 -3.209 0.528 1.00 0.00 C ATOM 942 CE2 TYR A 62 -6.716 -2.484 0.405 1.00 0.00 C ATOM 943 CZ TYR A 62 -7.693 -3.258 0.985 1.00 0.00 C ATOM 944 OH TYR A 62 -7.382 -4.089 2.029 1.00 0.00 O ATOM 0 H TYR A 62 -9.717 0.880 0.198 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.486 1.299 -2.622 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.215 -1.236 -3.040 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.776 -0.288 -2.722 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -10.323 -2.345 -0.876 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -6.275 -1.040 -1.098 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.744 -3.820 0.989 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -5.700 -2.528 0.769 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.781 -4.797 1.716 1.00 0.00 H new ATOM 954 N ASP A 63 -11.581 -0.256 -2.898 1.00 0.00 N ATOM 955 CA ASP A 63 -12.968 -0.640 -2.991 1.00 0.00 C ATOM 956 C ASP A 63 -13.068 -2.150 -3.044 1.00 0.00 C ATOM 957 O ASP A 63 -12.592 -2.780 -3.994 1.00 0.00 O ATOM 958 CB ASP A 63 -13.591 -0.036 -4.246 1.00 0.00 C ATOM 959 CG ASP A 63 -15.099 0.075 -4.144 1.00 0.00 C ATOM 960 OD1 ASP A 63 -15.761 -0.953 -3.893 1.00 0.00 O ATOM 961 OD2 ASP A 63 -15.628 1.199 -4.287 1.00 0.00 O ATOM 0 H ASP A 63 -11.081 -0.287 -3.786 1.00 0.00 H new ATOM 0 HA ASP A 63 -13.505 -0.271 -2.117 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -13.167 0.953 -4.419 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -13.332 -0.649 -5.109 1.00 0.00 H new ATOM 966 N MET A 64 -13.678 -2.726 -2.023 1.00 0.00 N ATOM 967 CA MET A 64 -13.801 -4.175 -1.915 1.00 0.00 C ATOM 968 C MET A 64 -14.560 -4.781 -3.100 1.00 0.00 C ATOM 969 O MET A 64 -14.446 -5.974 -3.357 1.00 0.00 O ATOM 970 CB MET A 64 -14.445 -4.576 -0.577 1.00 0.00 C ATOM 971 CG MET A 64 -15.733 -3.837 -0.247 1.00 0.00 C ATOM 972 SD MET A 64 -17.120 -4.303 -1.303 1.00 0.00 S ATOM 973 CE MET A 64 -17.846 -2.693 -1.596 1.00 0.00 C ATOM 0 H MET A 64 -14.100 -2.211 -1.250 1.00 0.00 H new ATOM 0 HA MET A 64 -12.792 -4.586 -1.942 1.00 0.00 H new ATOM 0 HB2 MET A 64 -14.650 -5.646 -0.594 1.00 0.00 H new ATOM 0 HB3 MET A 64 -13.726 -4.402 0.224 1.00 0.00 H new ATOM 0 HG2 MET A 64 -15.997 -4.030 0.793 1.00 0.00 H new ATOM 0 HG3 MET A 64 -15.561 -2.765 -0.338 1.00 0.00 H new ATOM 0 HE1 MET A 64 -18.632 -2.779 -2.346 1.00 0.00 H new ATOM 0 HE2 MET A 64 -18.271 -2.311 -0.668 1.00 0.00 H new ATOM 0 HE3 MET A 64 -17.078 -2.007 -1.953 1.00 0.00 H new ATOM 983 N TYR A 65 -15.316 -3.962 -3.829 1.00 0.00 N ATOM 984 CA TYR A 65 -16.122 -4.448 -4.943 1.00 0.00 C ATOM 985 C TYR A 65 -15.246 -4.960 -6.096 1.00 0.00 C ATOM 986 O TYR A 65 -15.581 -5.948 -6.741 1.00 0.00 O ATOM 987 CB TYR A 65 -17.075 -3.337 -5.416 1.00 0.00 C ATOM 988 CG TYR A 65 -17.168 -3.187 -6.917 1.00 0.00 C ATOM 989 CD1 TYR A 65 -18.078 -3.927 -7.661 1.00 0.00 C ATOM 990 CD2 TYR A 65 -16.329 -2.311 -7.587 1.00 0.00 C ATOM 991 CE1 TYR A 65 -18.146 -3.793 -9.033 1.00 0.00 C ATOM 992 CE2 TYR A 65 -16.388 -2.174 -8.955 1.00 0.00 C ATOM 993 CZ TYR A 65 -17.299 -2.917 -9.676 1.00 0.00 C ATOM 994 OH TYR A 65 -17.363 -2.793 -11.044 1.00 0.00 O ATOM 0 H TYR A 65 -15.386 -2.957 -3.666 1.00 0.00 H new ATOM 0 HA TYR A 65 -16.713 -5.296 -4.597 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.071 -3.538 -5.021 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -16.748 -2.389 -4.989 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -18.741 -4.616 -7.159 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -15.616 -1.725 -7.026 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -18.860 -4.372 -9.600 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -15.725 -1.488 -9.461 1.00 0.00 H new ATOM 0 HH TYR A 65 -16.702 -2.135 -11.344 1.00 0.00 H new ATOM 1004 N GLU A 66 -14.103 -4.322 -6.315 1.00 0.00 N ATOM 1005 CA GLU A 66 -13.248 -4.643 -7.467 1.00 0.00 C ATOM 1006 C GLU A 66 -12.275 -5.731 -7.084 1.00 0.00 C ATOM 1007 O GLU A 66 -11.810 -6.506 -7.914 1.00 0.00 O ATOM 1008 CB GLU A 66 -12.467 -3.408 -7.919 1.00 0.00 C ATOM 1009 CG GLU A 66 -13.081 -2.684 -9.105 1.00 0.00 C ATOM 1010 CD GLU A 66 -13.010 -3.493 -10.386 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -12.256 -4.486 -10.429 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -13.706 -3.132 -11.357 1.00 0.00 O ATOM 0 H GLU A 66 -13.741 -3.580 -5.716 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.882 -4.980 -8.287 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.392 -2.713 -7.083 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.451 -3.708 -8.177 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.123 -2.452 -8.884 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.567 -1.734 -9.251 1.00 0.00 H new ATOM 1019 N VAL A 67 -11.970 -5.776 -5.813 1.00 0.00 N ATOM 1020 CA VAL A 67 -11.066 -6.768 -5.292 1.00 0.00 C ATOM 1021 C VAL A 67 -11.815 -8.056 -5.026 1.00 0.00 C ATOM 1022 O VAL A 67 -11.223 -9.117 -4.964 1.00 0.00 O ATOM 1023 CB VAL A 67 -10.383 -6.252 -4.029 1.00 0.00 C ATOM 1024 CG1 VAL A 67 -9.874 -4.850 -4.297 1.00 0.00 C ATOM 1025 CG2 VAL A 67 -11.330 -6.279 -2.841 1.00 0.00 C ATOM 0 H VAL A 67 -12.338 -5.131 -5.114 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.290 -6.971 -6.030 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.545 -6.901 -3.775 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.382 -4.465 -3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.162 -4.873 -5.122 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.711 -4.203 -4.558 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.814 -5.906 -1.956 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.194 -5.649 -3.050 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.661 -7.302 -2.663 1.00 0.00 H new ATOM 1035 N TYR A 68 -13.122 -7.933 -4.845 1.00 0.00 N ATOM 1036 CA TYR A 68 -14.017 -9.079 -4.834 1.00 0.00 C ATOM 1037 C TYR A 68 -14.210 -9.564 -6.262 1.00 0.00 C ATOM 1038 O TYR A 68 -14.434 -10.745 -6.517 1.00 0.00 O ATOM 1039 CB TYR A 68 -15.344 -8.680 -4.193 1.00 0.00 C ATOM 1040 CG TYR A 68 -16.351 -9.800 -4.039 1.00 0.00 C ATOM 1041 CD1 TYR A 68 -15.966 -11.055 -3.589 1.00 0.00 C ATOM 1042 CD2 TYR A 68 -17.695 -9.588 -4.316 1.00 0.00 C ATOM 1043 CE1 TYR A 68 -16.888 -12.069 -3.421 1.00 0.00 C ATOM 1044 CE2 TYR A 68 -18.625 -10.597 -4.154 1.00 0.00 C ATOM 1045 CZ TYR A 68 -18.217 -11.835 -3.705 1.00 0.00 C ATOM 1046 OH TYR A 68 -19.141 -12.840 -3.532 1.00 0.00 O ATOM 0 H TYR A 68 -13.590 -7.038 -4.702 1.00 0.00 H new ATOM 0 HA TYR A 68 -13.593 -9.893 -4.247 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -15.141 -8.258 -3.209 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -15.794 -7.888 -4.792 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -14.926 -11.242 -3.366 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -18.019 -8.618 -4.664 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -16.570 -13.039 -3.069 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -19.666 -10.417 -4.378 1.00 0.00 H new ATOM 0 HH TYR A 68 -20.031 -12.511 -3.776 1.00 0.00 H new ATOM 1056 N LYS A 69 -14.080 -8.629 -7.184 1.00 0.00 N ATOM 1057 CA LYS A 69 -14.029 -8.928 -8.603 1.00 0.00 C ATOM 1058 C LYS A 69 -12.740 -9.673 -8.935 1.00 0.00 C ATOM 1059 O LYS A 69 -12.683 -10.469 -9.871 1.00 0.00 O ATOM 1060 CB LYS A 69 -14.126 -7.644 -9.374 1.00 0.00 C ATOM 1061 CG LYS A 69 -15.554 -7.157 -9.506 1.00 0.00 C ATOM 1062 CD LYS A 69 -15.912 -7.095 -10.958 1.00 0.00 C ATOM 1063 CE LYS A 69 -14.931 -6.187 -11.656 1.00 0.00 C ATOM 1064 NZ LYS A 69 -15.535 -4.880 -12.031 1.00 0.00 N ATOM 0 H LYS A 69 -14.006 -7.635 -6.969 1.00 0.00 H new ATOM 0 HA LYS A 69 -14.865 -9.571 -8.879 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -13.528 -6.879 -8.878 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.700 -7.787 -10.367 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -16.232 -7.829 -8.979 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -15.661 -6.173 -9.049 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -15.884 -8.092 -11.398 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -16.928 -6.721 -11.082 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.074 -6.015 -11.005 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.557 -6.682 -12.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.801 -4.143 -12.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -15.946 -4.948 -12.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -16.281 -4.634 -11.349 1.00 0.00 H new ATOM 1078 N HIS A 70 -11.707 -9.405 -8.142 1.00 0.00 N ATOM 1079 CA HIS A 70 -10.438 -10.108 -8.240 1.00 0.00 C ATOM 1080 C HIS A 70 -10.238 -10.980 -6.993 1.00 0.00 C ATOM 1081 O HIS A 70 -9.118 -11.221 -6.557 1.00 0.00 O ATOM 1082 CB HIS A 70 -9.298 -9.087 -8.398 1.00 0.00 C ATOM 1083 CG HIS A 70 -7.940 -9.695 -8.614 1.00 0.00 C ATOM 1084 ND1 HIS A 70 -6.817 -9.302 -7.920 1.00 0.00 N ATOM 1085 CD2 HIS A 70 -7.534 -10.680 -9.449 1.00 0.00 C ATOM 1086 CE1 HIS A 70 -5.785 -10.019 -8.315 1.00 0.00 C ATOM 1087 NE2 HIS A 70 -6.189 -10.864 -9.241 1.00 0.00 N ATOM 0 H HIS A 70 -11.729 -8.692 -7.413 1.00 0.00 H new ATOM 0 HA HIS A 70 -10.436 -10.759 -9.114 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -9.527 -8.433 -9.240 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -9.263 -8.460 -7.507 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -6.789 -8.570 -7.211 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -8.153 -11.221 -10.149 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.776 -9.929 -7.942 1.00 0.00 H new ATOM 1096 N LEU A 71 -11.353 -11.411 -6.408 1.00 0.00 N ATOM 1097 CA LEU A 71 -11.344 -12.311 -5.254 1.00 0.00 C ATOM 1098 C LEU A 71 -11.485 -13.763 -5.706 1.00 0.00 C ATOM 1099 O LEU A 71 -12.592 -14.248 -5.949 1.00 0.00 O ATOM 1100 CB LEU A 71 -12.465 -11.944 -4.267 1.00 0.00 C ATOM 1101 CG LEU A 71 -11.985 -11.213 -3.008 1.00 0.00 C ATOM 1102 CD1 LEU A 71 -13.107 -10.556 -2.243 1.00 0.00 C ATOM 1103 CD2 LEU A 71 -11.255 -12.162 -2.088 1.00 0.00 C ATOM 0 H LEU A 71 -12.288 -11.147 -6.719 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.388 -12.199 -4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.194 -11.317 -4.781 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.982 -12.856 -3.968 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.313 -10.428 -3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.703 -10.055 -1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.603 -9.824 -2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -13.827 -11.313 -1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -10.922 -11.624 -1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.924 -12.970 -1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -10.391 -12.578 -2.606 1.00 0.00 H new ATOM 1115 N PRO A 72 -10.350 -14.459 -5.857 1.00 0.00 N ATOM 1116 CA PRO A 72 -10.296 -15.854 -6.299 1.00 0.00 C ATOM 1117 C PRO A 72 -10.685 -16.840 -5.196 1.00 0.00 C ATOM 1118 O PRO A 72 -10.908 -16.437 -4.057 1.00 0.00 O ATOM 1119 CB PRO A 72 -8.823 -16.040 -6.710 1.00 0.00 C ATOM 1120 CG PRO A 72 -8.242 -14.663 -6.687 1.00 0.00 C ATOM 1121 CD PRO A 72 -9.007 -13.941 -5.633 1.00 0.00 C ATOM 0 HA PRO A 72 -11.004 -16.053 -7.104 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.300 -16.701 -6.019 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -8.742 -16.487 -7.701 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.177 -14.687 -6.455 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.346 -14.174 -7.656 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.641 -14.165 -4.631 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -8.957 -12.859 -5.756 1.00 0.00 H new ATOM 1129 N GLN A 73 -10.761 -18.119 -5.527 1.00 0.00 N ATOM 1130 CA GLN A 73 -11.296 -19.121 -4.610 1.00 0.00 C ATOM 1131 C GLN A 73 -10.486 -19.216 -3.310 1.00 0.00 C ATOM 1132 O GLN A 73 -11.061 -19.276 -2.222 1.00 0.00 O ATOM 1133 CB GLN A 73 -11.359 -20.485 -5.302 1.00 0.00 C ATOM 1134 CG GLN A 73 -12.103 -21.552 -4.511 1.00 0.00 C ATOM 1135 CD GLN A 73 -13.483 -21.097 -4.068 1.00 0.00 C ATOM 1136 OE1 GLN A 73 -14.462 -21.233 -4.804 1.00 0.00 O ATOM 1137 NE2 GLN A 73 -13.575 -20.582 -2.855 1.00 0.00 N ATOM 0 H GLN A 73 -10.458 -18.492 -6.427 1.00 0.00 H new ATOM 0 HA GLN A 73 -12.303 -18.806 -4.335 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.841 -20.366 -6.272 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -10.343 -20.831 -5.491 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.199 -22.450 -5.121 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -11.516 -21.824 -3.634 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -12.740 -20.486 -2.277 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -14.481 -20.280 -2.497 1.00 0.00 H new ATOM 1146 N GLY A 74 -9.164 -19.189 -3.418 1.00 0.00 N ATOM 1147 CA GLY A 74 -8.323 -19.376 -2.250 1.00 0.00 C ATOM 1148 C GLY A 74 -8.341 -18.167 -1.348 1.00 0.00 C ATOM 1149 O GLY A 74 -8.101 -18.263 -0.142 1.00 0.00 O ATOM 0 H GLY A 74 -8.659 -19.041 -4.292 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.662 -20.250 -1.694 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.300 -19.578 -2.567 1.00 0.00 H new ATOM 1153 N ILE A 75 -8.633 -17.027 -1.942 1.00 0.00 N ATOM 1154 CA ILE A 75 -8.731 -15.780 -1.208 1.00 0.00 C ATOM 1155 C ILE A 75 -10.131 -15.634 -0.624 1.00 0.00 C ATOM 1156 O ILE A 75 -11.124 -15.642 -1.349 1.00 0.00 O ATOM 1157 CB ILE A 75 -8.428 -14.584 -2.124 1.00 0.00 C ATOM 1158 CG1 ILE A 75 -7.130 -14.824 -2.909 1.00 0.00 C ATOM 1159 CG2 ILE A 75 -8.325 -13.317 -1.297 1.00 0.00 C ATOM 1160 CD1 ILE A 75 -5.868 -14.545 -2.120 1.00 0.00 C ATOM 0 H ILE A 75 -8.808 -16.938 -2.943 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.998 -15.796 -0.402 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.242 -14.471 -2.840 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.111 -15.859 -3.250 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.135 -14.195 -3.799 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.110 -12.472 -1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.268 -13.144 -0.778 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.523 -13.424 -0.567 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.997 -14.739 -2.746 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -5.861 -13.503 -1.801 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.836 -15.192 -1.244 1.00 0.00 H new ATOM 1172 N SER A 76 -10.209 -15.517 0.684 1.00 0.00 N ATOM 1173 CA SER A 76 -11.489 -15.485 1.369 1.00 0.00 C ATOM 1174 C SER A 76 -11.770 -14.105 1.944 1.00 0.00 C ATOM 1175 O SER A 76 -12.773 -13.891 2.625 1.00 0.00 O ATOM 1176 CB SER A 76 -11.479 -16.529 2.473 1.00 0.00 C ATOM 1177 OG SER A 76 -11.287 -17.828 1.931 1.00 0.00 O ATOM 0 H SER A 76 -9.399 -15.442 1.299 1.00 0.00 H new ATOM 0 HA SER A 76 -12.282 -15.708 0.655 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.685 -16.305 3.185 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.420 -16.494 3.023 1.00 0.00 H new ATOM 0 HG SER A 76 -11.282 -18.487 2.656 1.00 0.00 H new ATOM 1183 N SER A 77 -10.877 -13.178 1.668 1.00 0.00 N ATOM 1184 CA SER A 77 -11.003 -11.823 2.171 1.00 0.00 C ATOM 1185 C SER A 77 -10.724 -10.798 1.071 1.00 0.00 C ATOM 1186 O SER A 77 -9.702 -10.869 0.397 1.00 0.00 O ATOM 1187 CB SER A 77 -10.034 -11.632 3.337 1.00 0.00 C ATOM 1188 OG SER A 77 -9.973 -10.276 3.748 1.00 0.00 O ATOM 0 H SER A 77 -10.049 -13.338 1.094 1.00 0.00 H new ATOM 0 HA SER A 77 -12.026 -11.666 2.514 1.00 0.00 H new ATOM 0 HB2 SER A 77 -10.347 -12.253 4.176 1.00 0.00 H new ATOM 0 HB3 SER A 77 -9.040 -11.969 3.044 1.00 0.00 H new ATOM 0 HG SER A 77 -9.619 -10.226 4.660 1.00 0.00 H new ATOM 1194 N PRO A 78 -11.668 -9.864 0.856 1.00 0.00 N ATOM 1195 CA PRO A 78 -11.484 -8.707 -0.027 1.00 0.00 C ATOM 1196 C PRO A 78 -10.122 -8.053 0.142 1.00 0.00 C ATOM 1197 O PRO A 78 -9.369 -7.921 -0.810 1.00 0.00 O ATOM 1198 CB PRO A 78 -12.591 -7.761 0.428 1.00 0.00 C ATOM 1199 CG PRO A 78 -13.688 -8.666 0.868 1.00 0.00 C ATOM 1200 CD PRO A 78 -13.027 -9.907 1.417 1.00 0.00 C ATOM 0 HA PRO A 78 -11.531 -8.980 -1.081 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -12.255 -7.118 1.241 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.915 -7.108 -0.382 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -14.305 -8.187 1.628 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -14.345 -8.913 0.034 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.009 -9.901 2.507 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.556 -10.810 1.112 1.00 0.00 H new ATOM 1208 N PHE A 79 -9.817 -7.651 1.361 1.00 0.00 N ATOM 1209 CA PHE A 79 -8.509 -7.094 1.688 1.00 0.00 C ATOM 1210 C PHE A 79 -7.387 -8.033 1.276 1.00 0.00 C ATOM 1211 O PHE A 79 -6.325 -7.603 0.822 1.00 0.00 O ATOM 1212 CB PHE A 79 -8.447 -6.809 3.188 1.00 0.00 C ATOM 1213 CG PHE A 79 -7.179 -7.228 3.882 1.00 0.00 C ATOM 1214 CD1 PHE A 79 -6.096 -6.371 3.933 1.00 0.00 C ATOM 1215 CD2 PHE A 79 -7.081 -8.465 4.500 1.00 0.00 C ATOM 1216 CE1 PHE A 79 -4.939 -6.735 4.583 1.00 0.00 C ATOM 1217 CE2 PHE A 79 -5.922 -8.838 5.151 1.00 0.00 C ATOM 1218 CZ PHE A 79 -4.849 -7.971 5.193 1.00 0.00 C ATOM 0 H PHE A 79 -10.461 -7.699 2.151 1.00 0.00 H new ATOM 0 HA PHE A 79 -8.374 -6.166 1.133 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -8.586 -5.739 3.342 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -9.286 -7.312 3.669 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -6.158 -5.404 3.457 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -7.920 -9.144 4.472 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.101 -6.054 4.616 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.855 -9.806 5.626 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.941 -8.258 5.702 1.00 0.00 H new ATOM 1228 N GLU A 80 -7.641 -9.316 1.425 1.00 0.00 N ATOM 1229 CA GLU A 80 -6.632 -10.318 1.195 1.00 0.00 C ATOM 1230 C GLU A 80 -6.353 -10.491 -0.297 1.00 0.00 C ATOM 1231 O GLU A 80 -5.225 -10.806 -0.680 1.00 0.00 O ATOM 1232 CB GLU A 80 -7.062 -11.635 1.841 1.00 0.00 C ATOM 1233 CG GLU A 80 -6.134 -12.812 1.593 1.00 0.00 C ATOM 1234 CD GLU A 80 -6.702 -14.100 2.153 1.00 0.00 C ATOM 1235 OE1 GLU A 80 -7.645 -14.653 1.551 1.00 0.00 O ATOM 1236 OE2 GLU A 80 -6.221 -14.558 3.206 1.00 0.00 O ATOM 0 H GLU A 80 -8.548 -9.688 1.707 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.699 -9.992 1.655 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.149 -11.482 2.917 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.056 -11.893 1.475 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.966 -12.924 0.522 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.164 -12.613 2.049 1.00 0.00 H new ATOM 1243 N SER A 81 -7.359 -10.271 -1.153 1.00 0.00 N ATOM 1244 CA SER A 81 -7.125 -10.367 -2.584 1.00 0.00 C ATOM 1245 C SER A 81 -6.321 -9.166 -3.052 1.00 0.00 C ATOM 1246 O SER A 81 -5.470 -9.273 -3.936 1.00 0.00 O ATOM 1247 CB SER A 81 -8.440 -10.465 -3.355 1.00 0.00 C ATOM 1248 OG SER A 81 -9.283 -9.363 -3.085 1.00 0.00 O ATOM 0 H SER A 81 -8.313 -10.033 -0.883 1.00 0.00 H new ATOM 0 HA SER A 81 -6.559 -11.277 -2.782 1.00 0.00 H new ATOM 0 HB2 SER A 81 -8.233 -10.513 -4.424 1.00 0.00 H new ATOM 0 HB3 SER A 81 -8.952 -11.390 -3.088 1.00 0.00 H new ATOM 0 HG SER A 81 -8.971 -8.902 -2.279 1.00 0.00 H new ATOM 1254 N VAL A 82 -6.590 -8.026 -2.428 1.00 0.00 N ATOM 1255 CA VAL A 82 -5.881 -6.791 -2.738 1.00 0.00 C ATOM 1256 C VAL A 82 -4.401 -6.927 -2.452 1.00 0.00 C ATOM 1257 O VAL A 82 -3.569 -6.362 -3.164 1.00 0.00 O ATOM 1258 CB VAL A 82 -6.390 -5.601 -1.922 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -5.858 -4.314 -2.518 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -7.897 -5.592 -1.852 1.00 0.00 C ATOM 0 H VAL A 82 -7.298 -7.931 -1.700 1.00 0.00 H new ATOM 0 HA VAL A 82 -6.061 -6.610 -3.798 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.024 -5.691 -0.899 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.221 -3.466 -1.936 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.768 -4.327 -2.499 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.202 -4.221 -3.548 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -8.229 -4.735 -1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.308 -5.524 -2.859 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.245 -6.511 -1.380 1.00 0.00 H new ATOM 1270 N LYS A 83 -4.075 -7.660 -1.390 1.00 0.00 N ATOM 1271 CA LYS A 83 -2.685 -7.894 -1.036 1.00 0.00 C ATOM 1272 C LYS A 83 -1.939 -8.417 -2.247 1.00 0.00 C ATOM 1273 O LYS A 83 -0.837 -7.995 -2.540 1.00 0.00 O ATOM 1274 CB LYS A 83 -2.559 -8.888 0.113 1.00 0.00 C ATOM 1275 CG LYS A 83 -3.197 -8.422 1.407 1.00 0.00 C ATOM 1276 CD LYS A 83 -2.612 -9.152 2.605 1.00 0.00 C ATOM 1277 CE LYS A 83 -2.752 -10.661 2.480 1.00 0.00 C ATOM 1278 NZ LYS A 83 -1.996 -11.366 3.546 1.00 0.00 N ATOM 0 H LYS A 83 -4.752 -8.098 -0.766 1.00 0.00 H new ATOM 0 HA LYS A 83 -2.253 -6.948 -0.709 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.015 -9.832 -0.185 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.503 -9.088 0.292 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.046 -7.349 1.523 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -4.273 -8.590 1.366 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.558 -8.893 2.707 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -3.112 -8.816 3.513 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.805 -10.936 2.536 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.391 -10.982 1.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.112 -12.393 3.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.988 -11.122 3.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.358 -11.078 4.477 1.00 0.00 H new ATOM 1292 N ARG A 84 -2.598 -9.286 -2.988 1.00 0.00 N ATOM 1293 CA ARG A 84 -1.993 -9.910 -4.153 1.00 0.00 C ATOM 1294 C ARG A 84 -1.754 -8.874 -5.245 1.00 0.00 C ATOM 1295 O ARG A 84 -0.730 -8.905 -5.925 1.00 0.00 O ATOM 1296 CB ARG A 84 -2.889 -11.033 -4.673 1.00 0.00 C ATOM 1297 CG ARG A 84 -3.434 -11.919 -3.569 1.00 0.00 C ATOM 1298 CD ARG A 84 -2.316 -12.505 -2.714 1.00 0.00 C ATOM 1299 NE ARG A 84 -1.379 -13.303 -3.501 1.00 0.00 N ATOM 1300 CZ ARG A 84 -0.061 -13.344 -3.285 1.00 0.00 C ATOM 1301 NH1 ARG A 84 0.500 -12.590 -2.343 1.00 0.00 N ATOM 1302 NH2 ARG A 84 0.703 -14.135 -4.030 1.00 0.00 N ATOM 0 H ARG A 84 -3.558 -9.579 -2.804 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.032 -10.335 -3.863 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.722 -10.599 -5.226 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.324 -11.645 -5.376 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.110 -11.341 -2.939 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -4.020 -12.727 -4.007 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.777 -11.696 -2.221 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.749 -13.125 -1.929 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.755 -13.865 -4.265 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.077 -11.970 -1.775 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.507 -12.632 -2.189 1.00 0.00 H new ATOM 0 HH21 ARG A 84 0.283 -14.707 -4.763 1.00 0.00 H new ATOM 0 HH22 ARG A 84 1.710 -14.170 -3.870 1.00 0.00 H new ATOM 1316 N ASP A 85 -2.699 -7.945 -5.382 1.00 0.00 N ATOM 1317 CA ASP A 85 -2.596 -6.871 -6.360 1.00 0.00 C ATOM 1318 C ASP A 85 -1.448 -5.943 -6.021 1.00 0.00 C ATOM 1319 O ASP A 85 -0.732 -5.476 -6.903 1.00 0.00 O ATOM 1320 CB ASP A 85 -3.890 -6.050 -6.424 1.00 0.00 C ATOM 1321 CG ASP A 85 -5.019 -6.775 -7.129 1.00 0.00 C ATOM 1322 OD1 ASP A 85 -4.963 -6.896 -8.370 1.00 0.00 O ATOM 1323 OD2 ASP A 85 -5.975 -7.213 -6.456 1.00 0.00 O ATOM 0 H ASP A 85 -3.550 -7.918 -4.821 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.418 -7.337 -7.329 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.204 -5.798 -5.411 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.692 -5.110 -6.939 1.00 0.00 H new ATOM 1328 N VAL A 86 -1.273 -5.662 -4.743 1.00 0.00 N ATOM 1329 CA VAL A 86 -0.236 -4.738 -4.329 1.00 0.00 C ATOM 1330 C VAL A 86 1.115 -5.438 -4.205 1.00 0.00 C ATOM 1331 O VAL A 86 2.099 -4.949 -4.742 1.00 0.00 O ATOM 1332 CB VAL A 86 -0.599 -3.992 -3.021 1.00 0.00 C ATOM 1333 CG1 VAL A 86 -1.895 -3.224 -3.206 1.00 0.00 C ATOM 1334 CG2 VAL A 86 -0.709 -4.934 -1.835 1.00 0.00 C ATOM 0 H VAL A 86 -1.828 -6.055 -3.983 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.156 -3.985 -5.113 1.00 0.00 H new ATOM 0 HB VAL A 86 0.210 -3.295 -2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.144 -2.702 -2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.777 -2.499 -4.012 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.697 -3.918 -3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.965 -4.365 -0.941 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.485 -5.674 -2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.244 -5.440 -1.682 1.00 0.00 H new ATOM 1344 N GLU A 87 1.148 -6.604 -3.559 1.00 0.00 N ATOM 1345 CA GLU A 87 2.401 -7.323 -3.315 1.00 0.00 C ATOM 1346 C GLU A 87 3.184 -7.553 -4.606 1.00 0.00 C ATOM 1347 O GLU A 87 4.393 -7.400 -4.631 1.00 0.00 O ATOM 1348 CB GLU A 87 2.148 -8.682 -2.656 1.00 0.00 C ATOM 1349 CG GLU A 87 1.700 -8.620 -1.202 1.00 0.00 C ATOM 1350 CD GLU A 87 1.366 -9.997 -0.654 1.00 0.00 C ATOM 1351 OE1 GLU A 87 2.283 -10.684 -0.150 1.00 0.00 O ATOM 1352 OE2 GLU A 87 0.189 -10.413 -0.758 1.00 0.00 O ATOM 0 H GLU A 87 0.319 -7.073 -3.194 1.00 0.00 H new ATOM 0 HA GLU A 87 2.986 -6.693 -2.645 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.389 -9.212 -3.232 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.062 -9.272 -2.714 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.488 -8.170 -0.598 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.826 -7.974 -1.118 1.00 0.00 H new