USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 856 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 13 THR OG1 : rot 180:sc= -0.195 USER MOD Set 1.2: A 131 ASN : amide:sc=-0.00588 K(o=-0.94,f=-2.2) USER MOD Set 1.3: A 134 MET CE :methyl 136:sc= -0.734 (180deg=-1.8) USER MOD Set 2.1: A 121 MET CE :methyl -161:sc= -0.138 (180deg=-0.612) USER MOD Set 2.2: A 129 THR OG1 : rot 83:sc= 1.23 USER MOD Set 3.1: A 58 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Set 3.2: A 114 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 53 THR OG1 : rot 128:sc= 0.327 USER MOD Set 4.2: A 55 SER OG : rot 180:sc= 1.06 USER MOD Set 5.1: A 12 ASN : amide:sc= -0.0407 K(o=-0.032,f=-1.3) USER MOD Set 5.2: A 25 ASN : amide:sc= 0.0085 K(o=-0.032,f=-1.7) USER MOD Single : A 15 THR OG1 : rot 151:sc= 1.37 USER MOD Single : A 17 TYR OH : rot 180:sc= -1.16 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.0226 X(o=-0.023,f=-0.1) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0935 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0342 USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 101 HIS : no HD1:sc= -0.716 X(o=-0.72,f=-0.35) USER MOD Single : A 107 GLN : amide:sc= 0.657 K(o=0.66,f=-5.8!) USER MOD Single : A 123 THR OG1 : rot -178:sc= -1.57! USER MOD Single : A 124 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 130 TYR OH : rot 114:sc= 0.123 USER MOD ----------------------------------------------------------------- ATOM 153 N LEU A 11 14.962 -0.353 -7.688 1.00 0.00 N ATOM 154 CA LEU A 11 14.053 0.623 -8.267 1.00 0.00 C ATOM 155 C LEU A 11 13.113 -0.080 -9.237 1.00 0.00 C ATOM 156 O LEU A 11 13.373 -0.154 -10.440 1.00 0.00 O ATOM 157 CB LEU A 11 14.832 1.735 -8.976 1.00 0.00 C ATOM 158 CG LEU A 11 15.800 2.516 -8.082 1.00 0.00 C ATOM 159 CD1 LEU A 11 16.583 3.528 -8.900 1.00 0.00 C ATOM 160 CD2 LEU A 11 15.048 3.210 -6.956 1.00 0.00 C ATOM 0 HA LEU A 11 13.468 1.084 -7.472 1.00 0.00 H new ATOM 0 HB2 LEU A 11 15.395 1.296 -9.799 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.120 2.435 -9.414 1.00 0.00 H new ATOM 0 HG LEU A 11 16.504 1.810 -7.641 1.00 0.00 H new ATOM 0 HD11 LEU A 11 17.265 4.073 -8.248 1.00 0.00 H new ATOM 0 HD12 LEU A 11 17.154 3.010 -9.670 1.00 0.00 H new ATOM 0 HD13 LEU A 11 15.893 4.229 -9.370 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.753 3.759 -6.332 1.00 0.00 H new ATOM 0 HD22 LEU A 11 14.320 3.903 -7.378 1.00 0.00 H new ATOM 0 HD23 LEU A 11 14.531 2.465 -6.350 1.00 0.00 H new ATOM 172 N ASN A 12 12.038 -0.622 -8.692 1.00 0.00 N ATOM 173 CA ASN A 12 11.133 -1.472 -9.448 1.00 0.00 C ATOM 174 C ASN A 12 9.883 -0.710 -9.863 1.00 0.00 C ATOM 175 O ASN A 12 9.063 -0.336 -9.029 1.00 0.00 O ATOM 176 CB ASN A 12 10.755 -2.694 -8.611 1.00 0.00 C ATOM 177 CG ASN A 12 9.912 -3.694 -9.375 1.00 0.00 C ATOM 178 OD1 ASN A 12 10.004 -3.802 -10.596 1.00 0.00 O ATOM 179 ND2 ASN A 12 9.090 -4.445 -8.657 1.00 0.00 N ATOM 0 H ASN A 12 11.768 -0.487 -7.718 1.00 0.00 H new ATOM 0 HA ASN A 12 11.642 -1.798 -10.355 1.00 0.00 H new ATOM 0 HB2 ASN A 12 11.664 -3.184 -8.262 1.00 0.00 H new ATOM 0 HB3 ASN A 12 10.209 -2.367 -7.726 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.505 -5.143 -9.116 1.00 0.00 H new ATOM 0 HD22 ASN A 12 9.042 -4.325 -7.645 1.00 0.00 H new ATOM 186 N THR A 13 9.748 -0.483 -11.157 1.00 0.00 N ATOM 187 CA THR A 13 8.610 0.242 -11.690 1.00 0.00 C ATOM 188 C THR A 13 7.578 -0.731 -12.262 1.00 0.00 C ATOM 189 O THR A 13 7.939 -1.765 -12.825 1.00 0.00 O ATOM 190 CB THR A 13 9.067 1.225 -12.788 1.00 0.00 C ATOM 191 OG1 THR A 13 10.192 1.978 -12.316 1.00 0.00 O ATOM 192 CG2 THR A 13 7.949 2.179 -13.176 1.00 0.00 C ATOM 0 H THR A 13 10.417 -0.793 -11.862 1.00 0.00 H new ATOM 0 HA THR A 13 8.151 0.806 -10.878 1.00 0.00 H new ATOM 0 HB THR A 13 9.344 0.646 -13.669 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.484 2.601 -13.013 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.303 2.858 -13.951 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.099 1.610 -13.553 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.642 2.754 -12.302 1.00 0.00 H new ATOM 200 N VAL A 14 6.300 -0.405 -12.095 1.00 0.00 N ATOM 201 CA VAL A 14 5.220 -1.222 -12.641 1.00 0.00 C ATOM 202 C VAL A 14 5.346 -1.313 -14.160 1.00 0.00 C ATOM 203 O VAL A 14 5.244 -0.304 -14.860 1.00 0.00 O ATOM 204 CB VAL A 14 3.834 -0.647 -12.271 1.00 0.00 C ATOM 205 CG1 VAL A 14 2.721 -1.558 -12.768 1.00 0.00 C ATOM 206 CG2 VAL A 14 3.725 -0.432 -10.765 1.00 0.00 C ATOM 0 H VAL A 14 5.986 0.421 -11.585 1.00 0.00 H new ATOM 0 HA VAL A 14 5.305 -2.218 -12.205 1.00 0.00 H new ATOM 0 HB VAL A 14 3.725 0.320 -12.762 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.755 -1.133 -12.496 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.784 -1.652 -13.852 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.826 -2.543 -12.312 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.742 -0.027 -10.526 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.860 -1.384 -10.251 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.495 0.268 -10.441 1.00 0.00 H new ATOM 216 N THR A 15 5.583 -2.517 -14.657 1.00 0.00 N ATOM 217 CA THR A 15 5.807 -2.733 -16.074 1.00 0.00 C ATOM 218 C THR A 15 4.545 -2.476 -16.891 1.00 0.00 C ATOM 219 O THR A 15 4.590 -1.802 -17.921 1.00 0.00 O ATOM 220 CB THR A 15 6.303 -4.165 -16.318 1.00 0.00 C ATOM 221 OG1 THR A 15 6.232 -4.903 -15.089 1.00 0.00 O ATOM 222 CG2 THR A 15 7.736 -4.160 -16.836 1.00 0.00 C ATOM 0 H THR A 15 5.625 -3.365 -14.092 1.00 0.00 H new ATOM 0 HA THR A 15 6.567 -2.023 -16.400 1.00 0.00 H new ATOM 0 HB THR A 15 5.670 -4.635 -17.071 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.087 -5.852 -15.285 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.067 -5.185 -17.002 1.00 0.00 H new ATOM 0 HG22 THR A 15 7.782 -3.608 -17.775 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.386 -3.683 -16.103 1.00 0.00 H new ATOM 230 N ALA A 16 3.416 -3.002 -16.429 1.00 0.00 N ATOM 231 CA ALA A 16 2.155 -2.813 -17.130 1.00 0.00 C ATOM 232 C ALA A 16 1.002 -2.615 -16.157 1.00 0.00 C ATOM 233 O ALA A 16 0.602 -3.538 -15.444 1.00 0.00 O ATOM 234 CB ALA A 16 1.871 -3.986 -18.053 1.00 0.00 C ATOM 0 H ALA A 16 3.350 -3.559 -15.577 1.00 0.00 H new ATOM 0 HA ALA A 16 2.246 -1.909 -17.732 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.924 -3.824 -18.567 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.672 -4.073 -18.787 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.814 -4.904 -17.468 1.00 0.00 H new ATOM 240 N TYR A 17 0.475 -1.402 -16.126 1.00 0.00 N ATOM 241 CA TYR A 17 -0.680 -1.102 -15.299 1.00 0.00 C ATOM 242 C TYR A 17 -1.942 -1.123 -16.150 1.00 0.00 C ATOM 243 O TYR A 17 -2.000 -0.494 -17.210 1.00 0.00 O ATOM 244 CB TYR A 17 -0.529 0.261 -14.611 1.00 0.00 C ATOM 245 CG TYR A 17 -1.697 0.612 -13.714 1.00 0.00 C ATOM 246 CD1 TYR A 17 -1.780 0.109 -12.421 1.00 0.00 C ATOM 247 CD2 TYR A 17 -2.725 1.431 -14.166 1.00 0.00 C ATOM 248 CE1 TYR A 17 -2.849 0.420 -11.604 1.00 0.00 C ATOM 249 CE2 TYR A 17 -3.798 1.744 -13.354 1.00 0.00 C ATOM 250 CZ TYR A 17 -3.856 1.233 -12.076 1.00 0.00 C ATOM 251 OH TYR A 17 -4.925 1.539 -11.267 1.00 0.00 O ATOM 0 H TYR A 17 0.829 -0.611 -16.664 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.754 -1.864 -14.523 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.387 0.262 -14.020 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.419 1.034 -15.372 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.997 -0.535 -12.050 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.684 1.829 -15.169 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.895 0.027 -10.599 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.587 2.385 -13.719 1.00 0.00 H new ATOM 0 HH TYR A 17 -5.545 2.123 -11.751 1.00 0.00 H new ATOM 261 N GLY A 18 -2.945 -1.855 -15.697 1.00 0.00 N ATOM 262 CA GLY A 18 -4.187 -1.933 -16.428 1.00 0.00 C ATOM 263 C GLY A 18 -5.386 -1.723 -15.536 1.00 0.00 C ATOM 264 O GLY A 18 -5.244 -1.490 -14.334 1.00 0.00 O ATOM 0 H GLY A 18 -2.920 -2.398 -14.834 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.189 -1.183 -17.219 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.262 -2.907 -16.912 1.00 0.00 H new ATOM 268 N ASP A 19 -6.570 -1.815 -16.116 1.00 0.00 N ATOM 269 CA ASP A 19 -7.799 -1.614 -15.379 1.00 0.00 C ATOM 270 C ASP A 19 -8.248 -2.915 -14.728 1.00 0.00 C ATOM 271 O ASP A 19 -9.028 -2.912 -13.779 1.00 0.00 O ATOM 272 CB ASP A 19 -8.889 -1.095 -16.317 1.00 0.00 C ATOM 273 CG ASP A 19 -8.591 0.284 -16.877 1.00 0.00 C ATOM 274 OD1 ASP A 19 -8.876 1.289 -16.190 1.00 0.00 O ATOM 275 OD2 ASP A 19 -8.081 0.370 -18.016 1.00 0.00 O ATOM 0 H ASP A 19 -6.703 -2.030 -17.104 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.620 -0.877 -14.596 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -9.013 -1.796 -17.142 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.837 -1.065 -15.780 1.00 0.00 H new ATOM 280 N GLY A 20 -7.752 -4.029 -15.247 1.00 0.00 N ATOM 281 CA GLY A 20 -8.134 -5.321 -14.714 1.00 0.00 C ATOM 282 C GLY A 20 -6.944 -6.201 -14.384 1.00 0.00 C ATOM 283 O GLY A 20 -7.094 -7.413 -14.225 1.00 0.00 O ATOM 0 H GLY A 20 -7.094 -4.062 -16.025 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.731 -5.174 -13.814 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.768 -5.833 -15.437 1.00 0.00 H new ATOM 287 N TYR A 21 -5.764 -5.597 -14.272 1.00 0.00 N ATOM 288 CA TYR A 21 -4.553 -6.350 -13.972 1.00 0.00 C ATOM 289 C TYR A 21 -3.429 -5.415 -13.535 1.00 0.00 C ATOM 290 O TYR A 21 -3.379 -4.254 -13.947 1.00 0.00 O ATOM 291 CB TYR A 21 -4.106 -7.162 -15.195 1.00 0.00 C ATOM 292 CG TYR A 21 -3.551 -6.326 -16.333 1.00 0.00 C ATOM 293 CD1 TYR A 21 -4.392 -5.630 -17.197 1.00 0.00 C ATOM 294 CD2 TYR A 21 -2.179 -6.236 -16.544 1.00 0.00 C ATOM 295 CE1 TYR A 21 -3.881 -4.872 -18.234 1.00 0.00 C ATOM 296 CE2 TYR A 21 -1.663 -5.479 -17.578 1.00 0.00 C ATOM 297 CZ TYR A 21 -2.517 -4.799 -18.418 1.00 0.00 C ATOM 298 OH TYR A 21 -2.003 -4.046 -19.450 1.00 0.00 O ATOM 0 H TYR A 21 -5.622 -4.593 -14.384 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.778 -7.035 -13.154 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -3.346 -7.878 -14.882 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.955 -7.738 -15.564 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -5.461 -5.683 -17.055 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.505 -6.767 -15.888 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.547 -4.340 -18.897 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.595 -5.421 -17.727 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.025 -4.100 -19.439 1.00 0.00 H new ATOM 308 N ILE A 22 -2.542 -5.926 -12.692 1.00 0.00 N ATOM 309 CA ILE A 22 -1.351 -5.196 -12.285 1.00 0.00 C ATOM 310 C ILE A 22 -0.117 -6.054 -12.541 1.00 0.00 C ATOM 311 O ILE A 22 0.124 -7.032 -11.837 1.00 0.00 O ATOM 312 CB ILE A 22 -1.399 -4.799 -10.791 1.00 0.00 C ATOM 313 CG1 ILE A 22 -2.667 -3.991 -10.491 1.00 0.00 C ATOM 314 CG2 ILE A 22 -0.157 -4.002 -10.415 1.00 0.00 C ATOM 315 CD1 ILE A 22 -2.831 -3.637 -9.028 1.00 0.00 C ATOM 0 H ILE A 22 -2.627 -6.852 -12.274 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.305 -4.279 -12.873 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.421 -5.709 -10.191 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.650 -3.073 -11.078 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.537 -4.562 -10.817 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.205 -3.730 -9.361 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.732 -4.607 -10.593 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.108 -3.098 -11.021 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.750 -3.066 -8.893 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.881 -4.551 -8.436 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.980 -3.039 -8.701 1.00 0.00 H new ATOM 327 N GLU A 23 0.644 -5.707 -13.564 1.00 0.00 N ATOM 328 CA GLU A 23 1.810 -6.487 -13.940 1.00 0.00 C ATOM 329 C GLU A 23 3.081 -5.757 -13.522 1.00 0.00 C ATOM 330 O GLU A 23 3.347 -4.639 -13.970 1.00 0.00 O ATOM 331 CB GLU A 23 1.790 -6.750 -15.450 1.00 0.00 C ATOM 332 CG GLU A 23 2.773 -7.812 -15.924 1.00 0.00 C ATOM 333 CD GLU A 23 4.132 -7.253 -16.292 1.00 0.00 C ATOM 334 OE1 GLU A 23 4.310 -6.846 -17.459 1.00 0.00 O ATOM 335 OE2 GLU A 23 5.031 -7.236 -15.433 1.00 0.00 O ATOM 0 H GLU A 23 0.475 -4.889 -14.150 1.00 0.00 H new ATOM 0 HA GLU A 23 1.789 -7.448 -13.426 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.783 -7.051 -15.739 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.005 -5.817 -15.970 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.896 -8.559 -15.139 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.353 -8.325 -16.789 1.00 0.00 H new ATOM 342 N VAL A 24 3.847 -6.390 -12.645 1.00 0.00 N ATOM 343 CA VAL A 24 5.070 -5.801 -12.120 1.00 0.00 C ATOM 344 C VAL A 24 6.248 -6.740 -12.374 1.00 0.00 C ATOM 345 O VAL A 24 6.115 -7.958 -12.222 1.00 0.00 O ATOM 346 CB VAL A 24 4.953 -5.512 -10.605 1.00 0.00 C ATOM 347 CG1 VAL A 24 6.148 -4.714 -10.113 1.00 0.00 C ATOM 348 CG2 VAL A 24 3.657 -4.779 -10.290 1.00 0.00 C ATOM 0 H VAL A 24 3.640 -7.320 -12.280 1.00 0.00 H new ATOM 0 HA VAL A 24 5.235 -4.854 -12.635 1.00 0.00 H new ATOM 0 HB VAL A 24 4.940 -6.468 -10.082 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.043 -4.523 -9.045 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.062 -5.280 -10.292 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.197 -3.766 -10.648 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.598 -4.587 -9.219 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.634 -3.832 -10.830 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.809 -5.392 -10.596 1.00 0.00 H new ATOM 358 N ASN A 25 7.389 -6.162 -12.760 1.00 0.00 N ATOM 359 CA ASN A 25 8.585 -6.923 -13.138 1.00 0.00 C ATOM 360 C ASN A 25 8.324 -7.712 -14.415 1.00 0.00 C ATOM 361 O ASN A 25 8.652 -7.267 -15.517 1.00 0.00 O ATOM 362 CB ASN A 25 9.042 -7.881 -12.023 1.00 0.00 C ATOM 363 CG ASN A 25 9.447 -7.171 -10.747 1.00 0.00 C ATOM 364 OD1 ASN A 25 8.621 -6.933 -9.868 1.00 0.00 O ATOM 365 ND2 ASN A 25 10.725 -6.842 -10.626 1.00 0.00 N ATOM 0 H ASN A 25 7.510 -5.151 -12.820 1.00 0.00 H new ATOM 0 HA ASN A 25 9.385 -6.202 -13.305 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.235 -8.579 -11.801 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.884 -8.472 -12.384 1.00 0.00 H new ATOM 0 HD21 ASN A 25 11.053 -6.374 -9.781 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.380 -7.056 -11.378 1.00 0.00 H new ATOM 372 N GLN A 26 7.724 -8.882 -14.247 1.00 0.00 N ATOM 373 CA GLN A 26 7.348 -9.753 -15.352 1.00 0.00 C ATOM 374 C GLN A 26 6.155 -10.607 -14.942 1.00 0.00 C ATOM 375 O GLN A 26 5.803 -11.576 -15.619 1.00 0.00 O ATOM 376 CB GLN A 26 8.516 -10.664 -15.755 1.00 0.00 C ATOM 377 CG GLN A 26 9.584 -9.973 -16.588 1.00 0.00 C ATOM 378 CD GLN A 26 10.772 -10.868 -16.884 1.00 0.00 C ATOM 379 OE1 GLN A 26 11.133 -11.731 -16.082 1.00 0.00 O ATOM 380 NE2 GLN A 26 11.381 -10.673 -18.042 1.00 0.00 N ATOM 0 H GLN A 26 7.482 -9.257 -13.330 1.00 0.00 H new ATOM 0 HA GLN A 26 7.084 -9.131 -16.208 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.977 -11.065 -14.853 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.124 -11.512 -16.317 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.145 -9.638 -17.528 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.928 -9.083 -16.062 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.049 -9.947 -18.677 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.182 -11.249 -18.300 1.00 0.00 H new ATOM 389 N VAL A 27 5.526 -10.235 -13.836 1.00 0.00 N ATOM 390 CA VAL A 27 4.460 -11.039 -13.263 1.00 0.00 C ATOM 391 C VAL A 27 3.155 -10.257 -13.210 1.00 0.00 C ATOM 392 O VAL A 27 3.075 -9.203 -12.578 1.00 0.00 O ATOM 393 CB VAL A 27 4.816 -11.526 -11.840 1.00 0.00 C ATOM 394 CG1 VAL A 27 3.739 -12.458 -11.305 1.00 0.00 C ATOM 395 CG2 VAL A 27 6.173 -12.215 -11.827 1.00 0.00 C ATOM 0 H VAL A 27 5.737 -9.381 -13.319 1.00 0.00 H new ATOM 0 HA VAL A 27 4.337 -11.907 -13.911 1.00 0.00 H new ATOM 0 HB VAL A 27 4.870 -10.654 -11.188 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.010 -12.789 -10.302 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.786 -11.930 -11.268 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.649 -13.324 -11.961 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.402 -12.549 -10.815 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.151 -13.075 -12.497 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.940 -11.515 -12.160 1.00 0.00 H new ATOM 405 N ARG A 28 2.140 -10.775 -13.885 1.00 0.00 N ATOM 406 CA ARG A 28 0.820 -10.170 -13.863 1.00 0.00 C ATOM 407 C ARG A 28 0.061 -10.632 -12.627 1.00 0.00 C ATOM 408 O ARG A 28 -0.359 -11.788 -12.542 1.00 0.00 O ATOM 409 CB ARG A 28 0.041 -10.540 -15.127 1.00 0.00 C ATOM 410 CG ARG A 28 -1.341 -9.909 -15.201 1.00 0.00 C ATOM 411 CD ARG A 28 -2.126 -10.424 -16.396 1.00 0.00 C ATOM 412 NE ARG A 28 -2.404 -11.858 -16.294 1.00 0.00 N ATOM 413 CZ ARG A 28 -2.293 -12.713 -17.310 1.00 0.00 C ATOM 414 NH1 ARG A 28 -1.893 -12.288 -18.503 1.00 0.00 N ATOM 415 NH2 ARG A 28 -2.580 -13.999 -17.133 1.00 0.00 N ATOM 0 H ARG A 28 2.208 -11.617 -14.457 1.00 0.00 H new ATOM 0 HA ARG A 28 0.931 -9.086 -13.830 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.617 -10.235 -16.000 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.061 -11.624 -15.176 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.890 -10.124 -14.284 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.244 -8.825 -15.268 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.066 -9.877 -16.475 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.565 -10.228 -17.310 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.701 -12.225 -15.390 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.669 -11.303 -18.645 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.810 -12.947 -19.277 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.886 -14.332 -16.219 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.495 -14.652 -17.912 1.00 0.00 H new ATOM 429 N PHE A 29 -0.098 -9.738 -11.669 1.00 0.00 N ATOM 430 CA PHE A 29 -0.758 -10.074 -10.421 1.00 0.00 C ATOM 431 C PHE A 29 -2.265 -9.875 -10.531 1.00 0.00 C ATOM 432 O PHE A 29 -2.738 -8.829 -10.980 1.00 0.00 O ATOM 433 CB PHE A 29 -0.198 -9.230 -9.273 1.00 0.00 C ATOM 434 CG PHE A 29 1.264 -9.461 -9.013 1.00 0.00 C ATOM 435 CD1 PHE A 29 1.685 -10.550 -8.267 1.00 0.00 C ATOM 436 CD2 PHE A 29 2.217 -8.586 -9.510 1.00 0.00 C ATOM 437 CE1 PHE A 29 3.029 -10.764 -8.023 1.00 0.00 C ATOM 438 CE2 PHE A 29 3.562 -8.794 -9.269 1.00 0.00 C ATOM 439 CZ PHE A 29 3.968 -9.883 -8.523 1.00 0.00 C ATOM 0 H PHE A 29 0.222 -8.771 -11.731 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.564 -11.126 -10.211 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.356 -8.175 -9.498 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.759 -9.450 -8.365 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.954 -11.240 -7.871 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.905 -7.732 -10.092 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.344 -11.618 -7.442 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.295 -8.106 -9.664 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.018 -10.046 -8.331 1.00 0.00 H new ATOM 449 N SER A 30 -3.005 -10.895 -10.130 1.00 0.00 N ATOM 450 CA SER A 30 -4.457 -10.835 -10.112 1.00 0.00 C ATOM 451 C SER A 30 -4.957 -10.763 -8.668 1.00 0.00 C ATOM 452 O SER A 30 -6.120 -11.044 -8.377 1.00 0.00 O ATOM 453 CB SER A 30 -5.032 -12.062 -10.824 1.00 0.00 C ATOM 454 OG SER A 30 -4.512 -12.176 -12.142 1.00 0.00 O ATOM 0 H SER A 30 -2.619 -11.783 -9.809 1.00 0.00 H new ATOM 0 HA SER A 30 -4.791 -9.940 -10.637 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.794 -12.961 -10.256 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.119 -11.988 -10.863 1.00 0.00 H new ATOM 0 HG SER A 30 -4.892 -12.968 -12.576 1.00 0.00 H new ATOM 460 N HIS A 31 -4.059 -10.375 -7.769 1.00 0.00 N ATOM 461 CA HIS A 31 -4.383 -10.245 -6.352 1.00 0.00 C ATOM 462 C HIS A 31 -3.602 -9.083 -5.756 1.00 0.00 C ATOM 463 O HIS A 31 -2.691 -8.556 -6.398 1.00 0.00 O ATOM 464 CB HIS A 31 -4.079 -11.545 -5.590 1.00 0.00 C ATOM 465 CG HIS A 31 -2.618 -11.878 -5.480 1.00 0.00 C ATOM 466 ND1 HIS A 31 -1.851 -12.272 -6.551 1.00 0.00 N ATOM 467 CD2 HIS A 31 -1.790 -11.887 -4.409 1.00 0.00 C ATOM 468 CE1 HIS A 31 -0.620 -12.503 -6.149 1.00 0.00 C ATOM 469 NE2 HIS A 31 -0.549 -12.282 -4.850 1.00 0.00 N ATOM 0 H HIS A 31 -3.093 -10.143 -7.999 1.00 0.00 H new ATOM 0 HA HIS A 31 -5.451 -10.049 -6.256 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -4.497 -11.469 -4.586 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -4.590 -12.370 -6.087 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -2.056 -11.631 -3.394 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.198 -12.821 -6.778 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.285 -12.386 -4.272 1.00 0.00 H new ATOM 478 N ALA A 32 -3.954 -8.695 -4.541 1.00 0.00 N ATOM 479 CA ALA A 32 -3.322 -7.560 -3.885 1.00 0.00 C ATOM 480 C ALA A 32 -1.851 -7.831 -3.588 1.00 0.00 C ATOM 481 O ALA A 32 -1.466 -8.952 -3.243 1.00 0.00 O ATOM 482 CB ALA A 32 -4.067 -7.222 -2.609 1.00 0.00 C ATOM 0 H ALA A 32 -4.678 -9.152 -3.986 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.367 -6.709 -4.564 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.589 -6.372 -2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.100 -6.970 -2.847 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.048 -8.081 -1.938 1.00 0.00 H new ATOM 488 N ILE A 33 -1.033 -6.799 -3.732 1.00 0.00 N ATOM 489 CA ILE A 33 0.400 -6.911 -3.503 1.00 0.00 C ATOM 490 C ILE A 33 0.922 -5.700 -2.742 1.00 0.00 C ATOM 491 O ILE A 33 0.513 -4.568 -3.002 1.00 0.00 O ATOM 492 CB ILE A 33 1.185 -7.048 -4.828 1.00 0.00 C ATOM 493 CG1 ILE A 33 0.751 -5.963 -5.825 1.00 0.00 C ATOM 494 CG2 ILE A 33 0.994 -8.438 -5.418 1.00 0.00 C ATOM 495 CD1 ILE A 33 1.520 -5.984 -7.129 1.00 0.00 C ATOM 0 H ILE A 33 -1.341 -5.867 -4.009 1.00 0.00 H new ATOM 0 HA ILE A 33 0.554 -7.813 -2.911 1.00 0.00 H new ATOM 0 HB ILE A 33 2.246 -6.911 -4.620 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.311 -6.084 -6.039 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.873 -4.985 -5.359 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.553 -8.518 -6.350 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.356 -9.186 -4.713 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.065 -8.608 -5.614 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.156 -5.189 -7.779 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.580 -5.831 -6.929 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.378 -6.947 -7.619 1.00 0.00 H new ATOM 507 N ALA A 34 1.810 -5.948 -1.793 1.00 0.00 N ATOM 508 CA ALA A 34 2.437 -4.878 -1.031 1.00 0.00 C ATOM 509 C ALA A 34 3.950 -5.020 -1.092 1.00 0.00 C ATOM 510 O ALA A 34 4.499 -6.030 -0.657 1.00 0.00 O ATOM 511 CB ALA A 34 1.955 -4.903 0.410 1.00 0.00 C ATOM 0 H ALA A 34 2.115 -6.885 -1.530 1.00 0.00 H new ATOM 0 HA ALA A 34 2.157 -3.919 -1.467 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.433 -4.097 0.967 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.873 -4.770 0.434 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.213 -5.860 0.863 1.00 0.00 H new ATOM 517 N PHE A 35 4.625 -4.024 -1.641 1.00 0.00 N ATOM 518 CA PHE A 35 6.065 -4.115 -1.826 1.00 0.00 C ATOM 519 C PHE A 35 6.741 -2.760 -1.673 1.00 0.00 C ATOM 520 O PHE A 35 6.092 -1.712 -1.720 1.00 0.00 O ATOM 521 CB PHE A 35 6.396 -4.729 -3.195 1.00 0.00 C ATOM 522 CG PHE A 35 5.835 -3.978 -4.374 1.00 0.00 C ATOM 523 CD1 PHE A 35 4.540 -4.213 -4.811 1.00 0.00 C ATOM 524 CD2 PHE A 35 6.606 -3.047 -5.052 1.00 0.00 C ATOM 525 CE1 PHE A 35 4.028 -3.536 -5.900 1.00 0.00 C ATOM 526 CE2 PHE A 35 6.099 -2.369 -6.143 1.00 0.00 C ATOM 527 CZ PHE A 35 4.807 -2.611 -6.567 1.00 0.00 C ATOM 0 H PHE A 35 4.206 -3.152 -1.963 1.00 0.00 H new ATOM 0 HA PHE A 35 6.454 -4.767 -1.044 1.00 0.00 H new ATOM 0 HB2 PHE A 35 7.479 -4.786 -3.300 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.019 -5.751 -3.220 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.925 -4.934 -4.293 1.00 0.00 H new ATOM 0 HD2 PHE A 35 7.616 -2.849 -4.723 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.018 -3.730 -6.230 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.713 -1.650 -6.665 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.407 -2.079 -7.417 1.00 0.00 H new ATOM 537 N ALA A 36 8.052 -2.802 -1.489 1.00 0.00 N ATOM 538 CA ALA A 36 8.864 -1.606 -1.334 1.00 0.00 C ATOM 539 C ALA A 36 10.169 -1.778 -2.105 1.00 0.00 C ATOM 540 O ALA A 36 10.621 -2.906 -2.297 1.00 0.00 O ATOM 541 CB ALA A 36 9.141 -1.350 0.140 1.00 0.00 C ATOM 0 H ALA A 36 8.584 -3.671 -1.443 1.00 0.00 H new ATOM 0 HA ALA A 36 8.327 -0.746 -1.734 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.750 -0.452 0.245 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.198 -1.213 0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.674 -2.201 0.563 1.00 0.00 H new ATOM 547 N PRO A 37 10.785 -0.675 -2.560 1.00 0.00 N ATOM 548 CA PRO A 37 12.030 -0.721 -3.342 1.00 0.00 C ATOM 549 C PRO A 37 13.173 -1.422 -2.604 1.00 0.00 C ATOM 550 O PRO A 37 14.024 -2.067 -3.218 1.00 0.00 O ATOM 551 CB PRO A 37 12.375 0.757 -3.567 1.00 0.00 C ATOM 552 CG PRO A 37 11.087 1.483 -3.391 1.00 0.00 C ATOM 553 CD PRO A 37 10.315 0.707 -2.363 1.00 0.00 C ATOM 0 HA PRO A 37 11.897 -1.290 -4.262 1.00 0.00 H new ATOM 0 HB2 PRO A 37 13.123 1.101 -2.853 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.787 0.919 -4.563 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.258 2.507 -3.060 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.538 1.539 -4.331 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.520 1.062 -1.353 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.240 0.792 -2.518 1.00 0.00 H new ATOM 561 N GLU A 38 13.194 -1.292 -1.286 1.00 0.00 N ATOM 562 CA GLU A 38 14.255 -1.877 -0.478 1.00 0.00 C ATOM 563 C GLU A 38 13.790 -3.176 0.171 1.00 0.00 C ATOM 564 O GLU A 38 14.391 -3.650 1.138 1.00 0.00 O ATOM 565 CB GLU A 38 14.714 -0.894 0.610 1.00 0.00 C ATOM 566 CG GLU A 38 14.527 0.574 0.251 1.00 0.00 C ATOM 567 CD GLU A 38 13.170 1.109 0.676 1.00 0.00 C ATOM 568 OE1 GLU A 38 12.139 0.594 0.197 1.00 0.00 O ATOM 569 OE2 GLU A 38 13.131 2.026 1.518 1.00 0.00 O ATOM 0 H GLU A 38 12.488 -0.786 -0.752 1.00 0.00 H new ATOM 0 HA GLU A 38 15.094 -2.093 -1.139 1.00 0.00 H new ATOM 0 HB2 GLU A 38 14.164 -1.104 1.528 1.00 0.00 H new ATOM 0 HB3 GLU A 38 15.768 -1.072 0.822 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.311 1.164 0.726 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.642 0.699 -0.826 1.00 0.00 H new ATOM 576 N GLY A 39 12.735 -3.760 -0.372 1.00 0.00 N ATOM 577 CA GLY A 39 12.175 -4.957 0.218 1.00 0.00 C ATOM 578 C GLY A 39 11.586 -5.900 -0.811 1.00 0.00 C ATOM 579 O GLY A 39 11.688 -5.655 -2.012 1.00 0.00 O ATOM 0 H GLY A 39 12.257 -3.428 -1.209 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.952 -5.478 0.778 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.401 -4.676 0.932 1.00 0.00 H new ATOM 583 N PRO A 40 10.971 -7.002 -0.361 1.00 0.00 N ATOM 584 CA PRO A 40 10.338 -7.974 -1.241 1.00 0.00 C ATOM 585 C PRO A 40 8.872 -7.643 -1.517 1.00 0.00 C ATOM 586 O PRO A 40 8.391 -6.563 -1.166 1.00 0.00 O ATOM 587 CB PRO A 40 10.450 -9.261 -0.428 1.00 0.00 C ATOM 588 CG PRO A 40 10.351 -8.822 0.996 1.00 0.00 C ATOM 589 CD PRO A 40 10.853 -7.396 1.055 1.00 0.00 C ATOM 0 HA PRO A 40 10.803 -8.016 -2.226 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.654 -9.960 -0.683 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.395 -9.770 -0.620 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.321 -8.883 1.348 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.947 -9.468 1.641 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.159 -6.750 1.593 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.812 -7.331 1.569 1.00 0.00 H new ATOM 597 N VAL A 41 8.167 -8.575 -2.142 1.00 0.00 N ATOM 598 CA VAL A 41 6.753 -8.398 -2.435 1.00 0.00 C ATOM 599 C VAL A 41 5.912 -9.281 -1.517 1.00 0.00 C ATOM 600 O VAL A 41 6.006 -10.509 -1.564 1.00 0.00 O ATOM 601 CB VAL A 41 6.430 -8.740 -3.907 1.00 0.00 C ATOM 602 CG1 VAL A 41 4.961 -8.478 -4.216 1.00 0.00 C ATOM 603 CG2 VAL A 41 7.324 -7.951 -4.851 1.00 0.00 C ATOM 0 H VAL A 41 8.554 -9.465 -2.457 1.00 0.00 H new ATOM 0 HA VAL A 41 6.512 -7.349 -2.265 1.00 0.00 H new ATOM 0 HB VAL A 41 6.625 -9.802 -4.057 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.758 -8.726 -5.258 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.337 -9.094 -3.568 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.735 -7.426 -4.043 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.080 -8.207 -5.882 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.166 -6.884 -4.695 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.368 -8.196 -4.654 1.00 0.00 H new ATOM 613 N ALA A 42 5.103 -8.658 -0.677 1.00 0.00 N ATOM 614 CA ALA A 42 4.260 -9.389 0.252 1.00 0.00 C ATOM 615 C ALA A 42 2.930 -9.748 -0.395 1.00 0.00 C ATOM 616 O ALA A 42 2.259 -8.894 -0.981 1.00 0.00 O ATOM 617 CB ALA A 42 4.033 -8.578 1.518 1.00 0.00 C ATOM 0 H ALA A 42 5.013 -7.644 -0.620 1.00 0.00 H new ATOM 0 HA ALA A 42 4.771 -10.314 0.520 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.399 -9.142 2.202 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.991 -8.374 1.996 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.546 -7.636 1.264 1.00 0.00 H new ATOM 623 N SER A 43 2.564 -11.016 -0.295 1.00 0.00 N ATOM 624 CA SER A 43 1.311 -11.500 -0.839 1.00 0.00 C ATOM 625 C SER A 43 0.136 -11.072 0.038 1.00 0.00 C ATOM 626 O SER A 43 0.088 -11.381 1.234 1.00 0.00 O ATOM 627 CB SER A 43 1.376 -13.023 -0.970 1.00 0.00 C ATOM 628 OG SER A 43 2.193 -13.584 0.051 1.00 0.00 O ATOM 0 H SER A 43 3.126 -11.733 0.164 1.00 0.00 H new ATOM 0 HA SER A 43 1.154 -11.065 -1.826 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.371 -13.441 -0.908 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.774 -13.292 -1.949 1.00 0.00 H new ATOM 0 HG SER A 43 2.220 -14.558 -0.050 1.00 0.00 H new ATOM 634 N TRP A 44 -0.794 -10.340 -0.556 1.00 0.00 N ATOM 635 CA TRP A 44 -1.961 -9.854 0.158 1.00 0.00 C ATOM 636 C TRP A 44 -3.227 -10.492 -0.418 1.00 0.00 C ATOM 637 O TRP A 44 -3.555 -10.295 -1.589 1.00 0.00 O ATOM 638 CB TRP A 44 -2.030 -8.330 0.051 1.00 0.00 C ATOM 639 CG TRP A 44 -2.108 -7.621 1.372 1.00 0.00 C ATOM 640 CD1 TRP A 44 -1.563 -8.024 2.558 1.00 0.00 C ATOM 641 CD2 TRP A 44 -2.756 -6.371 1.632 1.00 0.00 C ATOM 642 NE1 TRP A 44 -1.840 -7.104 3.541 1.00 0.00 N ATOM 643 CE2 TRP A 44 -2.571 -6.081 2.997 1.00 0.00 C ATOM 644 CE3 TRP A 44 -3.476 -5.469 0.846 1.00 0.00 C ATOM 645 CZ2 TRP A 44 -3.081 -4.926 3.590 1.00 0.00 C ATOM 646 CZ3 TRP A 44 -3.981 -4.325 1.436 1.00 0.00 C ATOM 647 CH2 TRP A 44 -3.781 -4.062 2.796 1.00 0.00 C ATOM 0 H TRP A 44 -0.761 -10.069 -1.539 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.884 -10.129 1.210 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.151 -7.975 -0.487 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.901 -8.058 -0.546 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.997 -8.933 2.702 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -1.549 -7.172 4.516 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.636 -5.662 -0.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.928 -4.722 4.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.540 -3.622 0.837 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -4.188 -3.159 3.226 1.00 0.00 H new ATOM 658 N PRO A 45 -3.950 -11.273 0.398 1.00 0.00 N ATOM 659 CA PRO A 45 -5.149 -12.003 -0.039 1.00 0.00 C ATOM 660 C PRO A 45 -6.412 -11.143 -0.023 1.00 0.00 C ATOM 661 O PRO A 45 -7.529 -11.658 0.045 1.00 0.00 O ATOM 662 CB PRO A 45 -5.254 -13.107 1.007 1.00 0.00 C ATOM 663 CG PRO A 45 -4.730 -12.479 2.253 1.00 0.00 C ATOM 664 CD PRO A 45 -3.649 -11.523 1.820 1.00 0.00 C ATOM 0 HA PRO A 45 -5.066 -12.350 -1.069 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.284 -13.441 1.132 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.667 -13.981 0.724 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.522 -11.955 2.787 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -4.333 -13.234 2.932 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.673 -10.602 2.402 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.657 -11.956 1.949 1.00 0.00 H new ATOM 672 N VAL A 46 -6.233 -9.836 -0.095 1.00 0.00 N ATOM 673 CA VAL A 46 -7.349 -8.912 -0.005 1.00 0.00 C ATOM 674 C VAL A 46 -7.936 -8.636 -1.385 1.00 0.00 C ATOM 675 O VAL A 46 -7.223 -8.234 -2.302 1.00 0.00 O ATOM 676 CB VAL A 46 -6.921 -7.581 0.652 1.00 0.00 C ATOM 677 CG1 VAL A 46 -8.105 -6.638 0.796 1.00 0.00 C ATOM 678 CG2 VAL A 46 -6.278 -7.840 2.005 1.00 0.00 C ATOM 0 H VAL A 46 -5.324 -9.390 -0.216 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.110 -9.380 0.619 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.187 -7.103 0.003 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.776 -5.709 1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.521 -6.423 -0.188 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.868 -7.105 1.419 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.982 -6.892 2.455 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.992 -8.344 2.657 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.398 -8.470 1.875 1.00 0.00 H new ATOM 688 N GLN A 47 -9.231 -8.885 -1.530 1.00 0.00 N ATOM 689 CA GLN A 47 -9.939 -8.591 -2.769 1.00 0.00 C ATOM 690 C GLN A 47 -10.817 -7.367 -2.570 1.00 0.00 C ATOM 691 O GLN A 47 -11.006 -6.552 -3.473 1.00 0.00 O ATOM 692 CB GLN A 47 -10.819 -9.770 -3.187 1.00 0.00 C ATOM 693 CG GLN A 47 -10.081 -11.091 -3.313 1.00 0.00 C ATOM 694 CD GLN A 47 -11.015 -12.229 -3.676 1.00 0.00 C ATOM 695 OE1 GLN A 47 -12.199 -12.207 -3.337 1.00 0.00 O ATOM 696 NE2 GLN A 47 -10.493 -13.237 -4.351 1.00 0.00 N ATOM 0 H GLN A 47 -9.815 -9.292 -0.800 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.202 -8.407 -3.551 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -11.622 -9.884 -2.459 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -11.287 -9.537 -4.143 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -9.305 -11.002 -4.073 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -9.581 -11.318 -2.372 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.508 -13.219 -4.614 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -11.075 -14.034 -4.609 1.00 0.00 H new ATOM 705 N ARG A 48 -11.367 -7.264 -1.373 1.00 0.00 N ATOM 706 CA ARG A 48 -12.221 -6.154 -1.009 1.00 0.00 C ATOM 707 C ARG A 48 -11.629 -5.407 0.177 1.00 0.00 C ATOM 708 O ARG A 48 -11.252 -6.018 1.178 1.00 0.00 O ATOM 709 CB ARG A 48 -13.630 -6.655 -0.680 1.00 0.00 C ATOM 710 CG ARG A 48 -14.399 -7.165 -1.892 1.00 0.00 C ATOM 711 CD ARG A 48 -15.725 -7.798 -1.494 1.00 0.00 C ATOM 712 NE ARG A 48 -15.552 -9.122 -0.897 1.00 0.00 N ATOM 713 CZ ARG A 48 -16.039 -9.475 0.293 1.00 0.00 C ATOM 714 NH1 ARG A 48 -16.715 -8.594 1.023 1.00 0.00 N ATOM 715 NH2 ARG A 48 -15.862 -10.709 0.746 1.00 0.00 N ATOM 0 H ARG A 48 -11.233 -7.948 -0.629 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.288 -5.468 -1.853 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -13.558 -7.455 0.056 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -14.195 -5.846 -0.217 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -14.582 -6.340 -2.580 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -13.793 -7.897 -2.426 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -16.238 -7.147 -0.786 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -16.364 -7.879 -2.373 1.00 0.00 H new ATOM 0 HE ARG A 48 -15.026 -9.819 -1.424 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -16.862 -7.647 0.673 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -17.087 -8.865 1.933 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -15.352 -11.390 0.184 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -16.236 -10.976 1.657 1.00 0.00 H new ATOM 729 N PRO A 49 -11.548 -4.068 0.084 1.00 0.00 N ATOM 730 CA PRO A 49 -10.954 -3.220 1.130 1.00 0.00 C ATOM 731 C PRO A 49 -11.767 -3.209 2.428 1.00 0.00 C ATOM 732 O PRO A 49 -11.485 -2.436 3.343 1.00 0.00 O ATOM 733 CB PRO A 49 -10.944 -1.817 0.503 1.00 0.00 C ATOM 734 CG PRO A 49 -11.175 -2.032 -0.956 1.00 0.00 C ATOM 735 CD PRO A 49 -12.014 -3.270 -1.058 1.00 0.00 C ATOM 0 HA PRO A 49 -9.968 -3.585 1.418 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -11.722 -1.188 0.935 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -9.993 -1.314 0.680 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -11.684 -1.177 -1.402 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -10.231 -2.154 -1.488 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.078 -3.045 -0.988 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.859 -3.788 -2.005 1.00 0.00 H new ATOM 743 N ALA A 50 -12.772 -4.071 2.500 1.00 0.00 N ATOM 744 CA ALA A 50 -13.611 -4.175 3.683 1.00 0.00 C ATOM 745 C ALA A 50 -13.116 -5.285 4.603 1.00 0.00 C ATOM 746 O ALA A 50 -13.668 -5.500 5.683 1.00 0.00 O ATOM 747 CB ALA A 50 -15.057 -4.431 3.284 1.00 0.00 C ATOM 0 H ALA A 50 -13.026 -4.711 1.748 1.00 0.00 H new ATOM 0 HA ALA A 50 -13.555 -3.230 4.224 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -15.674 -4.507 4.180 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -15.415 -3.608 2.665 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -15.120 -5.362 2.721 1.00 0.00 H new ATOM 753 N ASP A 51 -12.080 -5.992 4.164 1.00 0.00 N ATOM 754 CA ASP A 51 -11.514 -7.093 4.941 1.00 0.00 C ATOM 755 C ASP A 51 -10.135 -6.725 5.481 1.00 0.00 C ATOM 756 O ASP A 51 -9.392 -7.590 5.947 1.00 0.00 O ATOM 757 CB ASP A 51 -11.397 -8.359 4.083 1.00 0.00 C ATOM 758 CG ASP A 51 -12.732 -8.859 3.567 1.00 0.00 C ATOM 759 OD1 ASP A 51 -13.556 -9.324 4.387 1.00 0.00 O ATOM 760 OD2 ASP A 51 -12.956 -8.803 2.342 1.00 0.00 O ATOM 0 H ASP A 51 -11.613 -5.823 3.273 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.186 -7.285 5.777 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.741 -8.157 3.236 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -10.925 -9.146 4.671 1.00 0.00 H new ATOM 765 N ILE A 52 -9.799 -5.444 5.432 1.00 0.00 N ATOM 766 CA ILE A 52 -8.476 -4.996 5.846 1.00 0.00 C ATOM 767 C ILE A 52 -8.439 -4.693 7.341 1.00 0.00 C ATOM 768 O ILE A 52 -9.178 -3.838 7.830 1.00 0.00 O ATOM 769 CB ILE A 52 -8.033 -3.744 5.058 1.00 0.00 C ATOM 770 CG1 ILE A 52 -8.069 -4.024 3.553 1.00 0.00 C ATOM 771 CG2 ILE A 52 -6.636 -3.312 5.487 1.00 0.00 C ATOM 772 CD1 ILE A 52 -7.686 -2.830 2.703 1.00 0.00 C ATOM 0 H ILE A 52 -10.419 -4.700 5.112 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.784 -5.810 5.631 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.726 -2.932 5.277 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.393 -4.850 3.330 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -9.072 -4.349 3.277 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.339 -2.428 4.922 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.638 -3.078 6.552 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.930 -4.120 5.295 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.734 -3.103 1.649 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.376 -2.009 2.897 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.672 -2.517 2.951 1.00 0.00 H new ATOM 784 N THR A 53 -7.587 -5.411 8.058 1.00 0.00 N ATOM 785 CA THR A 53 -7.389 -5.177 9.480 1.00 0.00 C ATOM 786 C THR A 53 -6.073 -4.442 9.723 1.00 0.00 C ATOM 787 O THR A 53 -5.241 -4.332 8.818 1.00 0.00 O ATOM 788 CB THR A 53 -7.372 -6.507 10.256 1.00 0.00 C ATOM 789 OG1 THR A 53 -6.423 -7.403 9.663 1.00 0.00 O ATOM 790 CG2 THR A 53 -8.750 -7.150 10.262 1.00 0.00 C ATOM 0 H THR A 53 -7.018 -6.166 7.674 1.00 0.00 H new ATOM 0 HA THR A 53 -8.219 -4.565 9.834 1.00 0.00 H new ATOM 0 HB THR A 53 -7.084 -6.299 11.287 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.818 -7.744 10.355 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.711 -8.088 10.816 1.00 0.00 H new ATOM 0 HG22 THR A 53 -9.464 -6.477 10.737 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.064 -7.347 9.237 1.00 0.00 H new ATOM 798 N ALA A 54 -5.878 -3.956 10.946 1.00 0.00 N ATOM 799 CA ALA A 54 -4.652 -3.249 11.302 1.00 0.00 C ATOM 800 C ALA A 54 -3.450 -4.184 11.233 1.00 0.00 C ATOM 801 O ALA A 54 -2.331 -3.760 10.936 1.00 0.00 O ATOM 802 CB ALA A 54 -4.773 -2.644 12.692 1.00 0.00 C ATOM 0 H ALA A 54 -6.553 -4.039 11.706 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.501 -2.444 10.583 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.850 -2.120 12.942 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.606 -1.941 12.712 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.949 -3.436 13.420 1.00 0.00 H new ATOM 808 N SER A 55 -3.693 -5.464 11.493 1.00 0.00 N ATOM 809 CA SER A 55 -2.646 -6.472 11.448 1.00 0.00 C ATOM 810 C SER A 55 -2.128 -6.652 10.022 1.00 0.00 C ATOM 811 O SER A 55 -0.918 -6.746 9.795 1.00 0.00 O ATOM 812 CB SER A 55 -3.187 -7.793 12.002 1.00 0.00 C ATOM 813 OG SER A 55 -4.474 -8.073 11.473 1.00 0.00 O ATOM 0 H SER A 55 -4.614 -5.828 11.739 1.00 0.00 H new ATOM 0 HA SER A 55 -1.809 -6.144 12.064 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.503 -8.604 11.753 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.239 -7.742 13.090 1.00 0.00 H new ATOM 0 HG SER A 55 -4.800 -8.922 11.838 1.00 0.00 H new ATOM 819 N LEU A 56 -3.048 -6.671 9.062 1.00 0.00 N ATOM 820 CA LEU A 56 -2.687 -6.813 7.659 1.00 0.00 C ATOM 821 C LEU A 56 -1.897 -5.601 7.183 1.00 0.00 C ATOM 822 O LEU A 56 -0.991 -5.724 6.360 1.00 0.00 O ATOM 823 CB LEU A 56 -3.935 -6.992 6.788 1.00 0.00 C ATOM 824 CG LEU A 56 -4.736 -8.271 7.041 1.00 0.00 C ATOM 825 CD1 LEU A 56 -5.946 -8.331 6.120 1.00 0.00 C ATOM 826 CD2 LEU A 56 -3.859 -9.499 6.852 1.00 0.00 C ATOM 0 H LEU A 56 -4.050 -6.590 9.233 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.064 -7.702 7.564 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.592 -6.136 6.944 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.632 -6.975 5.741 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.088 -8.258 8.073 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.505 -9.247 6.313 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.587 -7.469 6.305 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.614 -8.320 5.082 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.447 -10.398 7.036 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.476 -9.519 5.832 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.024 -9.461 7.552 1.00 0.00 H new ATOM 838 N LEU A 57 -2.242 -4.433 7.714 1.00 0.00 N ATOM 839 CA LEU A 57 -1.556 -3.196 7.363 1.00 0.00 C ATOM 840 C LEU A 57 -0.092 -3.239 7.788 1.00 0.00 C ATOM 841 O LEU A 57 0.794 -2.830 7.039 1.00 0.00 O ATOM 842 CB LEU A 57 -2.253 -1.998 8.011 1.00 0.00 C ATOM 843 CG LEU A 57 -3.661 -1.703 7.492 1.00 0.00 C ATOM 844 CD1 LEU A 57 -4.305 -0.591 8.306 1.00 0.00 C ATOM 845 CD2 LEU A 57 -3.612 -1.322 6.019 1.00 0.00 C ATOM 0 H LEU A 57 -2.996 -4.318 8.392 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.595 -3.088 6.279 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.308 -2.168 9.086 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.635 -1.113 7.860 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.266 -2.604 7.598 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.306 -0.393 7.924 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.369 -0.895 9.351 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.702 0.313 8.228 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.621 -1.115 5.663 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.993 -0.433 5.893 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.186 -2.145 5.444 1.00 0.00 H new ATOM 857 N GLN A 58 0.160 -3.753 8.987 1.00 0.00 N ATOM 858 CA GLN A 58 1.521 -3.842 9.505 1.00 0.00 C ATOM 859 C GLN A 58 2.355 -4.817 8.682 1.00 0.00 C ATOM 860 O GLN A 58 3.546 -4.593 8.451 1.00 0.00 O ATOM 861 CB GLN A 58 1.516 -4.264 10.973 1.00 0.00 C ATOM 862 CG GLN A 58 0.886 -3.233 11.896 1.00 0.00 C ATOM 863 CD GLN A 58 1.018 -3.600 13.360 1.00 0.00 C ATOM 864 OE1 GLN A 58 1.044 -4.777 13.720 1.00 0.00 O ATOM 865 NE2 GLN A 58 1.102 -2.595 14.218 1.00 0.00 N ATOM 0 H GLN A 58 -0.557 -4.113 9.617 1.00 0.00 H new ATOM 0 HA GLN A 58 1.971 -2.852 9.428 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.976 -5.206 11.071 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.541 -4.449 11.294 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.355 -2.264 11.725 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.170 -3.125 11.647 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.077 -1.633 13.880 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.192 -2.783 15.216 1.00 0.00 H new ATOM 874 N GLN A 59 1.725 -5.894 8.233 1.00 0.00 N ATOM 875 CA GLN A 59 2.405 -6.874 7.398 1.00 0.00 C ATOM 876 C GLN A 59 2.663 -6.303 6.009 1.00 0.00 C ATOM 877 O GLN A 59 3.701 -6.565 5.405 1.00 0.00 O ATOM 878 CB GLN A 59 1.591 -8.161 7.294 1.00 0.00 C ATOM 879 CG GLN A 59 1.426 -8.885 8.619 1.00 0.00 C ATOM 880 CD GLN A 59 0.706 -10.210 8.474 1.00 0.00 C ATOM 881 OE1 GLN A 59 -0.141 -10.385 7.597 1.00 0.00 O ATOM 882 NE2 GLN A 59 1.046 -11.157 9.333 1.00 0.00 N ATOM 0 H GLN A 59 0.748 -6.111 8.432 1.00 0.00 H new ATOM 0 HA GLN A 59 3.361 -7.109 7.865 1.00 0.00 H new ATOM 0 HB2 GLN A 59 0.605 -7.926 6.893 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.074 -8.830 6.582 1.00 0.00 H new ATOM 0 HG2 GLN A 59 2.408 -9.056 9.060 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.873 -8.249 9.310 1.00 0.00 H new ATOM 0 HE21 GLN A 59 1.753 -10.970 10.044 1.00 0.00 H new ATOM 0 HE22 GLN A 59 0.601 -12.074 9.284 1.00 0.00 H new ATOM 891 N ALA A 60 1.713 -5.511 5.516 1.00 0.00 N ATOM 892 CA ALA A 60 1.843 -4.864 4.215 1.00 0.00 C ATOM 893 C ALA A 60 2.956 -3.824 4.233 1.00 0.00 C ATOM 894 O ALA A 60 3.565 -3.535 3.208 1.00 0.00 O ATOM 895 CB ALA A 60 0.528 -4.218 3.809 1.00 0.00 C ATOM 0 H ALA A 60 0.841 -5.302 6.002 1.00 0.00 H new ATOM 0 HA ALA A 60 2.100 -5.629 3.482 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.643 -3.740 2.836 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.249 -4.980 3.749 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.246 -3.470 4.550 1.00 0.00 H new ATOM 901 N ALA A 61 3.216 -3.269 5.413 1.00 0.00 N ATOM 902 CA ALA A 61 4.280 -2.290 5.588 1.00 0.00 C ATOM 903 C ALA A 61 5.653 -2.962 5.547 1.00 0.00 C ATOM 904 O ALA A 61 6.687 -2.290 5.513 1.00 0.00 O ATOM 905 CB ALA A 61 4.093 -1.539 6.901 1.00 0.00 C ATOM 0 H ALA A 61 2.700 -3.483 6.266 1.00 0.00 H new ATOM 0 HA ALA A 61 4.229 -1.577 4.765 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.894 -0.810 7.021 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.132 -1.024 6.892 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.118 -2.245 7.731 1.00 0.00 H new ATOM 911 N GLY A 62 5.653 -4.291 5.555 1.00 0.00 N ATOM 912 CA GLY A 62 6.892 -5.042 5.500 1.00 0.00 C ATOM 913 C GLY A 62 7.571 -5.139 6.848 1.00 0.00 C ATOM 914 O GLY A 62 8.738 -5.513 6.938 1.00 0.00 O ATOM 0 H GLY A 62 4.810 -4.864 5.599 1.00 0.00 H new ATOM 0 HA2 GLY A 62 6.689 -6.046 5.126 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.569 -4.568 4.789 1.00 0.00 H new ATOM 918 N LEU A 63 6.830 -4.829 7.903 1.00 0.00 N ATOM 919 CA LEU A 63 7.385 -4.814 9.253 1.00 0.00 C ATOM 920 C LEU A 63 7.272 -6.189 9.908 1.00 0.00 C ATOM 921 O LEU A 63 7.432 -6.331 11.121 1.00 0.00 O ATOM 922 CB LEU A 63 6.666 -3.762 10.105 1.00 0.00 C ATOM 923 CG LEU A 63 6.747 -2.332 9.571 1.00 0.00 C ATOM 924 CD1 LEU A 63 5.952 -1.385 10.457 1.00 0.00 C ATOM 925 CD2 LEU A 63 8.197 -1.878 9.467 1.00 0.00 C ATOM 0 H LEU A 63 5.841 -4.584 7.852 1.00 0.00 H new ATOM 0 HA LEU A 63 8.442 -4.557 9.184 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.616 -4.042 10.192 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.086 -3.782 11.111 1.00 0.00 H new ATOM 0 HG LEU A 63 6.311 -2.315 8.572 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.021 -0.372 10.061 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.908 -1.696 10.477 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.357 -1.408 11.469 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.232 -0.858 9.085 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.661 -1.913 10.453 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.737 -2.538 8.789 1.00 0.00 H new ATOM 1274 N ALA A 88 11.346 2.497 9.524 1.00 0.00 N ATOM 1275 CA ALA A 88 9.907 2.429 9.341 1.00 0.00 C ATOM 1276 C ALA A 88 9.511 3.123 8.042 1.00 0.00 C ATOM 1277 O ALA A 88 10.215 4.020 7.576 1.00 0.00 O ATOM 1278 CB ALA A 88 9.189 3.054 10.528 1.00 0.00 C ATOM 0 HA ALA A 88 9.610 1.382 9.279 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.112 2.994 10.374 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.456 2.517 11.438 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.485 4.099 10.623 1.00 0.00 H new ATOM 1284 N PRO A 89 8.404 2.694 7.419 1.00 0.00 N ATOM 1285 CA PRO A 89 7.912 3.311 6.189 1.00 0.00 C ATOM 1286 C PRO A 89 7.438 4.741 6.425 1.00 0.00 C ATOM 1287 O PRO A 89 6.552 4.980 7.246 1.00 0.00 O ATOM 1288 CB PRO A 89 6.731 2.422 5.771 1.00 0.00 C ATOM 1289 CG PRO A 89 6.860 1.177 6.583 1.00 0.00 C ATOM 1290 CD PRO A 89 7.550 1.581 7.854 1.00 0.00 C ATOM 0 HA PRO A 89 8.691 3.377 5.430 1.00 0.00 H new ATOM 0 HB2 PRO A 89 5.780 2.918 5.963 1.00 0.00 H new ATOM 0 HB3 PRO A 89 6.766 2.200 4.704 1.00 0.00 H new ATOM 0 HG2 PRO A 89 5.882 0.744 6.791 1.00 0.00 H new ATOM 0 HG3 PRO A 89 7.436 0.421 6.049 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.839 1.892 8.619 1.00 0.00 H new ATOM 0 HD3 PRO A 89 8.134 0.763 8.275 1.00 0.00 H new ATOM 1298 N GLU A 90 8.041 5.684 5.713 1.00 0.00 N ATOM 1299 CA GLU A 90 7.645 7.081 5.804 1.00 0.00 C ATOM 1300 C GLU A 90 6.203 7.241 5.345 1.00 0.00 C ATOM 1301 O GLU A 90 5.383 7.865 6.023 1.00 0.00 O ATOM 1302 CB GLU A 90 8.566 7.955 4.947 1.00 0.00 C ATOM 1303 CG GLU A 90 8.100 9.396 4.822 1.00 0.00 C ATOM 1304 CD GLU A 90 8.971 10.218 3.896 1.00 0.00 C ATOM 1305 OE1 GLU A 90 9.297 9.741 2.788 1.00 0.00 O ATOM 1306 OE2 GLU A 90 9.337 11.347 4.272 1.00 0.00 O ATOM 0 H GLU A 90 8.808 5.505 5.065 1.00 0.00 H new ATOM 0 HA GLU A 90 7.728 7.401 6.843 1.00 0.00 H new ATOM 0 HB2 GLU A 90 9.567 7.943 5.377 1.00 0.00 H new ATOM 0 HB3 GLU A 90 8.642 7.519 3.951 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.074 9.410 4.455 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.092 9.857 5.810 1.00 0.00 H new ATOM 1313 N VAL A 91 5.899 6.657 4.201 1.00 0.00 N ATOM 1314 CA VAL A 91 4.572 6.751 3.631 1.00 0.00 C ATOM 1315 C VAL A 91 4.090 5.381 3.153 1.00 0.00 C ATOM 1316 O VAL A 91 4.843 4.616 2.541 1.00 0.00 O ATOM 1317 CB VAL A 91 4.536 7.778 2.472 1.00 0.00 C ATOM 1318 CG1 VAL A 91 5.575 7.438 1.416 1.00 0.00 C ATOM 1319 CG2 VAL A 91 3.146 7.864 1.857 1.00 0.00 C ATOM 0 H VAL A 91 6.558 6.110 3.647 1.00 0.00 H new ATOM 0 HA VAL A 91 3.895 7.100 4.411 1.00 0.00 H new ATOM 0 HB VAL A 91 4.779 8.757 2.885 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.531 8.173 0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.568 7.451 1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.372 6.446 1.012 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.151 8.593 1.046 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.860 6.888 1.466 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.430 8.173 2.618 1.00 0.00 H new ATOM 1329 N LEU A 92 2.844 5.066 3.472 1.00 0.00 N ATOM 1330 CA LEU A 92 2.227 3.827 3.039 1.00 0.00 C ATOM 1331 C LEU A 92 1.117 4.141 2.048 1.00 0.00 C ATOM 1332 O LEU A 92 0.048 4.622 2.429 1.00 0.00 O ATOM 1333 CB LEU A 92 1.666 3.056 4.239 1.00 0.00 C ATOM 1334 CG LEU A 92 1.010 1.714 3.905 1.00 0.00 C ATOM 1335 CD1 LEU A 92 2.030 0.748 3.323 1.00 0.00 C ATOM 1336 CD2 LEU A 92 0.355 1.118 5.142 1.00 0.00 C ATOM 0 H LEU A 92 2.237 5.661 4.036 1.00 0.00 H new ATOM 0 HA LEU A 92 2.979 3.202 2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.475 2.880 4.947 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.932 3.685 4.743 1.00 0.00 H new ATOM 0 HG LEU A 92 0.237 1.888 3.156 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.543 -0.200 3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.452 1.170 2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.827 0.580 4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.106 0.164 4.886 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.109 0.961 5.913 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.408 1.801 5.515 1.00 0.00 H new ATOM 1348 N LEU A 93 1.384 3.895 0.778 1.00 0.00 N ATOM 1349 CA LEU A 93 0.431 4.210 -0.270 1.00 0.00 C ATOM 1350 C LEU A 93 -0.490 3.032 -0.529 1.00 0.00 C ATOM 1351 O LEU A 93 -0.065 1.994 -1.035 1.00 0.00 O ATOM 1352 CB LEU A 93 1.158 4.608 -1.555 1.00 0.00 C ATOM 1353 CG LEU A 93 1.952 5.912 -1.467 1.00 0.00 C ATOM 1354 CD1 LEU A 93 2.695 6.172 -2.765 1.00 0.00 C ATOM 1355 CD2 LEU A 93 1.029 7.079 -1.141 1.00 0.00 C ATOM 0 H LEU A 93 2.254 3.478 0.448 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.174 5.054 0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.838 3.803 -1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.425 4.699 -2.357 1.00 0.00 H new ATOM 0 HG LEU A 93 2.683 5.815 -0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.254 7.104 -2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.385 5.351 -2.960 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.980 6.248 -3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.612 7.998 -1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.275 7.176 -1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.539 6.899 -0.184 1.00 0.00 H new ATOM 1367 N VAL A 94 -1.748 3.194 -0.163 1.00 0.00 N ATOM 1368 CA VAL A 94 -2.735 2.153 -0.368 1.00 0.00 C ATOM 1369 C VAL A 94 -3.567 2.446 -1.610 1.00 0.00 C ATOM 1370 O VAL A 94 -4.312 3.429 -1.657 1.00 0.00 O ATOM 1371 CB VAL A 94 -3.669 2.004 0.855 1.00 0.00 C ATOM 1372 CG1 VAL A 94 -4.694 0.900 0.624 1.00 0.00 C ATOM 1373 CG2 VAL A 94 -2.861 1.728 2.116 1.00 0.00 C ATOM 0 H VAL A 94 -2.110 4.039 0.279 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.195 1.216 -0.503 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.206 2.943 0.988 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.340 0.814 1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.298 1.141 -0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.179 -0.046 0.459 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.536 1.626 2.966 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.294 0.805 1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.173 2.554 2.296 1.00 0.00 H new ATOM 1383 N GLY A 95 -3.403 1.611 -2.622 1.00 0.00 N ATOM 1384 CA GLY A 95 -4.223 1.708 -3.806 1.00 0.00 C ATOM 1385 C GLY A 95 -5.507 0.944 -3.612 1.00 0.00 C ATOM 1386 O GLY A 95 -5.556 -0.253 -3.869 1.00 0.00 O ATOM 0 H GLY A 95 -2.710 0.862 -2.643 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.442 2.754 -4.021 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -3.682 1.312 -4.666 1.00 0.00 H new ATOM 1390 N THR A 96 -6.534 1.642 -3.151 1.00 0.00 N ATOM 1391 CA THR A 96 -7.787 1.021 -2.738 1.00 0.00 C ATOM 1392 C THR A 96 -8.463 0.269 -3.888 1.00 0.00 C ATOM 1393 O THR A 96 -9.246 -0.657 -3.661 1.00 0.00 O ATOM 1394 CB THR A 96 -8.756 2.081 -2.184 1.00 0.00 C ATOM 1395 OG1 THR A 96 -8.020 3.106 -1.500 1.00 0.00 O ATOM 1396 CG2 THR A 96 -9.745 1.450 -1.218 1.00 0.00 C ATOM 0 H THR A 96 -6.524 2.657 -3.052 1.00 0.00 H new ATOM 0 HA THR A 96 -7.542 0.300 -1.958 1.00 0.00 H new ATOM 0 HB THR A 96 -9.303 2.515 -3.021 1.00 0.00 H new ATOM 0 HG1 THR A 96 -8.642 3.778 -1.151 1.00 0.00 H new ATOM 0 HG21 THR A 96 -10.421 2.216 -0.838 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.320 0.683 -1.736 1.00 0.00 H new ATOM 0 HG23 THR A 96 -9.204 0.998 -0.387 1.00 0.00 H new ATOM 1404 N GLY A 97 -8.163 0.676 -5.114 1.00 0.00 N ATOM 1405 CA GLY A 97 -8.710 0.008 -6.279 1.00 0.00 C ATOM 1406 C GLY A 97 -10.129 0.431 -6.576 1.00 0.00 C ATOM 1407 O GLY A 97 -10.392 1.104 -7.573 1.00 0.00 O ATOM 0 H GLY A 97 -7.547 1.461 -5.323 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -8.082 0.221 -7.144 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -8.681 -1.070 -6.122 1.00 0.00 H new ATOM 1411 N ARG A 98 -11.044 0.044 -5.703 1.00 0.00 N ATOM 1412 CA ARG A 98 -12.450 0.354 -5.885 1.00 0.00 C ATOM 1413 C ARG A 98 -12.810 1.653 -5.169 1.00 0.00 C ATOM 1414 O ARG A 98 -13.306 1.637 -4.033 1.00 0.00 O ATOM 1415 CB ARG A 98 -13.320 -0.797 -5.376 1.00 0.00 C ATOM 1416 CG ARG A 98 -14.806 -0.575 -5.586 1.00 0.00 C ATOM 1417 CD ARG A 98 -15.618 -1.750 -5.074 1.00 0.00 C ATOM 1418 NE ARG A 98 -15.354 -2.973 -5.827 1.00 0.00 N ATOM 1419 CZ ARG A 98 -16.171 -4.019 -5.844 1.00 0.00 C ATOM 1420 NH1 ARG A 98 -17.274 -4.016 -5.113 1.00 0.00 N ATOM 1421 NH2 ARG A 98 -15.879 -5.079 -6.582 1.00 0.00 N ATOM 0 H ARG A 98 -10.836 -0.488 -4.858 1.00 0.00 H new ATOM 0 HA ARG A 98 -12.639 0.486 -6.950 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -13.024 -1.716 -5.881 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -13.130 -0.942 -4.313 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -15.116 0.335 -5.072 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -15.007 -0.426 -6.647 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -15.389 -1.917 -4.022 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -16.679 -1.510 -5.135 1.00 0.00 H new ATOM 0 HE ARG A 98 -14.493 -3.027 -6.371 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -17.499 -3.208 -4.533 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -17.899 -4.822 -5.129 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -15.025 -5.093 -7.139 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -16.508 -5.882 -6.593 1.00 0.00 H new ATOM 1435 N ARG A 99 -12.524 2.772 -5.836 1.00 0.00 N ATOM 1436 CA ARG A 99 -12.815 4.109 -5.318 1.00 0.00 C ATOM 1437 C ARG A 99 -12.037 4.413 -4.038 1.00 0.00 C ATOM 1438 O ARG A 99 -11.190 3.632 -3.602 1.00 0.00 O ATOM 1439 CB ARG A 99 -14.315 4.282 -5.074 1.00 0.00 C ATOM 1440 CG ARG A 99 -15.119 4.518 -6.340 1.00 0.00 C ATOM 1441 CD ARG A 99 -16.608 4.567 -6.041 1.00 0.00 C ATOM 1442 NE ARG A 99 -17.396 5.007 -7.191 1.00 0.00 N ATOM 1443 CZ ARG A 99 -17.971 4.180 -8.067 1.00 0.00 C ATOM 1444 NH1 ARG A 99 -17.746 2.872 -8.007 1.00 0.00 N ATOM 1445 NH2 ARG A 99 -18.748 4.671 -9.021 1.00 0.00 N ATOM 0 H ARG A 99 -12.082 2.776 -6.755 1.00 0.00 H new ATOM 0 HA ARG A 99 -12.492 4.821 -6.078 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -14.697 3.393 -4.573 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -14.469 5.121 -4.395 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -14.807 5.454 -6.804 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -14.915 3.723 -7.058 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -16.946 3.578 -5.730 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -16.785 5.242 -5.204 1.00 0.00 H new ATOM 0 HE ARG A 99 -17.514 6.010 -7.333 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -17.130 2.493 -7.288 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -18.189 2.247 -8.680 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -18.905 5.677 -9.084 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -19.190 4.043 -9.693 1.00 0.00 H new ATOM 1459 N GLN A 100 -12.342 5.556 -3.443 1.00 0.00 N ATOM 1460 CA GLN A 100 -11.673 6.002 -2.232 1.00 0.00 C ATOM 1461 C GLN A 100 -12.421 5.491 -1.007 1.00 0.00 C ATOM 1462 O GLN A 100 -13.650 5.404 -1.015 1.00 0.00 O ATOM 1463 CB GLN A 100 -11.614 7.530 -2.218 1.00 0.00 C ATOM 1464 CG GLN A 100 -10.841 8.125 -1.053 1.00 0.00 C ATOM 1465 CD GLN A 100 -10.912 9.639 -1.045 1.00 0.00 C ATOM 1466 OE1 GLN A 100 -11.033 10.273 -2.095 1.00 0.00 O ATOM 1467 NE2 GLN A 100 -10.838 10.230 0.136 1.00 0.00 N ATOM 0 H GLN A 100 -13.057 6.198 -3.785 1.00 0.00 H new ATOM 0 HA GLN A 100 -10.658 5.605 -2.210 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -11.161 7.871 -3.149 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -12.632 7.919 -2.198 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -11.241 7.737 -0.116 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.799 7.810 -1.110 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -10.738 9.669 0.982 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -10.881 11.247 0.201 1.00 0.00 H new ATOM 1476 N HIS A 101 -11.683 5.130 0.034 1.00 0.00 N ATOM 1477 CA HIS A 101 -12.292 4.652 1.267 1.00 0.00 C ATOM 1478 C HIS A 101 -11.612 5.264 2.478 1.00 0.00 C ATOM 1479 O HIS A 101 -10.392 5.199 2.616 1.00 0.00 O ATOM 1480 CB HIS A 101 -12.229 3.124 1.361 1.00 0.00 C ATOM 1481 CG HIS A 101 -13.185 2.427 0.448 1.00 0.00 C ATOM 1482 ND1 HIS A 101 -14.439 2.020 0.843 1.00 0.00 N ATOM 1483 CD2 HIS A 101 -13.068 2.068 -0.851 1.00 0.00 C ATOM 1484 CE1 HIS A 101 -15.053 1.444 -0.173 1.00 0.00 C ATOM 1485 NE2 HIS A 101 -14.241 1.460 -1.215 1.00 0.00 N ATOM 0 H HIS A 101 -10.664 5.159 0.049 1.00 0.00 H new ATOM 0 HA HIS A 101 -13.338 4.958 1.253 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -11.215 2.796 1.131 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -12.436 2.823 2.388 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -12.209 2.231 -1.484 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -16.050 1.030 -0.156 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -14.452 1.082 -2.138 1.00 0.00 H new ATOM 1494 N LEU A 102 -12.408 5.864 3.343 1.00 0.00 N ATOM 1495 CA LEU A 102 -11.907 6.412 4.587 1.00 0.00 C ATOM 1496 C LEU A 102 -11.761 5.296 5.610 1.00 0.00 C ATOM 1497 O LEU A 102 -12.752 4.705 6.043 1.00 0.00 O ATOM 1498 CB LEU A 102 -12.859 7.490 5.116 1.00 0.00 C ATOM 1499 CG LEU A 102 -12.425 8.167 6.419 1.00 0.00 C ATOM 1500 CD1 LEU A 102 -11.132 8.942 6.218 1.00 0.00 C ATOM 1501 CD2 LEU A 102 -13.526 9.082 6.935 1.00 0.00 C ATOM 0 H LEU A 102 -13.411 5.984 3.204 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.933 6.869 4.409 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -12.975 8.256 4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -13.840 7.041 5.269 1.00 0.00 H new ATOM 0 HG LEU A 102 -12.244 7.393 7.165 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -10.842 9.415 7.156 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.345 8.260 5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -11.281 9.708 5.457 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -13.201 9.555 7.862 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -13.740 9.849 6.191 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -14.427 8.498 7.122 1.00 0.00 H new ATOM 1513 N LEU A 103 -10.526 4.984 5.959 1.00 0.00 N ATOM 1514 CA LEU A 103 -10.252 3.954 6.947 1.00 0.00 C ATOM 1515 C LEU A 103 -10.516 4.488 8.351 1.00 0.00 C ATOM 1516 O LEU A 103 -10.711 5.689 8.540 1.00 0.00 O ATOM 1517 CB LEU A 103 -8.809 3.463 6.815 1.00 0.00 C ATOM 1518 CG LEU A 103 -8.447 2.871 5.448 1.00 0.00 C ATOM 1519 CD1 LEU A 103 -7.007 2.383 5.441 1.00 0.00 C ATOM 1520 CD2 LEU A 103 -9.401 1.738 5.083 1.00 0.00 C ATOM 0 H LEU A 103 -9.694 5.430 5.572 1.00 0.00 H new ATOM 0 HA LEU A 103 -10.918 3.109 6.770 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -8.138 4.296 7.022 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.627 2.709 7.580 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.546 3.656 4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.769 1.966 4.462 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.339 3.218 5.652 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.880 1.614 6.203 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -9.127 1.331 4.109 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -9.337 0.952 5.836 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.421 2.120 5.043 1.00 0.00 H new ATOM 1532 N GLY A 104 -10.502 3.605 9.334 1.00 0.00 N ATOM 1533 CA GLY A 104 -10.858 4.008 10.677 1.00 0.00 C ATOM 1534 C GLY A 104 -9.660 4.109 11.595 1.00 0.00 C ATOM 1535 O GLY A 104 -8.610 3.519 11.321 1.00 0.00 O ATOM 0 H GLY A 104 -10.252 2.622 9.229 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -11.364 4.973 10.640 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -11.568 3.291 11.091 1.00 0.00 H new ATOM 1539 N PRO A 105 -9.794 4.858 12.704 1.00 0.00 N ATOM 1540 CA PRO A 105 -8.709 5.053 13.670 1.00 0.00 C ATOM 1541 C PRO A 105 -8.229 3.734 14.259 1.00 0.00 C ATOM 1542 O PRO A 105 -7.041 3.551 14.509 1.00 0.00 O ATOM 1543 CB PRO A 105 -9.340 5.927 14.760 1.00 0.00 C ATOM 1544 CG PRO A 105 -10.516 6.571 14.108 1.00 0.00 C ATOM 1545 CD PRO A 105 -11.018 5.576 13.101 1.00 0.00 C ATOM 0 HA PRO A 105 -7.830 5.504 13.209 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -9.644 5.328 15.619 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -8.634 6.673 15.125 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -11.287 6.810 14.840 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -10.233 7.507 13.626 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -11.758 4.903 13.533 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -11.492 6.067 12.251 1.00 0.00 H new ATOM 1553 N GLU A 106 -9.155 2.805 14.446 1.00 0.00 N ATOM 1554 CA GLU A 106 -8.829 1.494 14.995 1.00 0.00 C ATOM 1555 C GLU A 106 -7.847 0.750 14.087 1.00 0.00 C ATOM 1556 O GLU A 106 -7.156 -0.168 14.525 1.00 0.00 O ATOM 1557 CB GLU A 106 -10.101 0.656 15.186 1.00 0.00 C ATOM 1558 CG GLU A 106 -10.993 1.102 16.344 1.00 0.00 C ATOM 1559 CD GLU A 106 -11.624 2.462 16.125 1.00 0.00 C ATOM 1560 OE1 GLU A 106 -12.657 2.537 15.427 1.00 0.00 O ATOM 1561 OE2 GLU A 106 -11.090 3.460 16.649 1.00 0.00 O ATOM 0 H GLU A 106 -10.142 2.934 14.225 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.358 1.647 15.966 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -10.682 0.688 14.265 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -9.814 -0.383 15.346 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -11.781 0.363 16.492 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -10.403 1.126 17.260 1.00 0.00 H new ATOM 1568 N GLN A 107 -7.786 1.163 12.829 1.00 0.00 N ATOM 1569 CA GLN A 107 -6.920 0.520 11.851 1.00 0.00 C ATOM 1570 C GLN A 107 -5.587 1.256 11.701 1.00 0.00 C ATOM 1571 O GLN A 107 -4.529 0.711 12.010 1.00 0.00 O ATOM 1572 CB GLN A 107 -7.622 0.461 10.495 1.00 0.00 C ATOM 1573 CG GLN A 107 -8.857 -0.426 10.476 1.00 0.00 C ATOM 1574 CD GLN A 107 -9.714 -0.193 9.247 1.00 0.00 C ATOM 1575 OE1 GLN A 107 -9.787 0.923 8.732 1.00 0.00 O ATOM 1576 NE2 GLN A 107 -10.360 -1.240 8.763 1.00 0.00 N ATOM 0 H GLN A 107 -8.329 1.944 12.460 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.711 -0.488 12.209 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -7.908 1.471 10.201 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -6.916 0.099 9.747 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.551 -1.472 10.510 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.450 -0.238 11.371 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -10.273 -2.148 9.219 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -10.945 -1.140 7.934 1.00 0.00 H new ATOM 1585 N VAL A 108 -5.649 2.501 11.243 1.00 0.00 N ATOM 1586 CA VAL A 108 -4.447 3.216 10.812 1.00 0.00 C ATOM 1587 C VAL A 108 -3.728 3.951 11.945 1.00 0.00 C ATOM 1588 O VAL A 108 -2.549 4.279 11.810 1.00 0.00 O ATOM 1589 CB VAL A 108 -4.769 4.230 9.694 1.00 0.00 C ATOM 1590 CG1 VAL A 108 -5.199 3.508 8.427 1.00 0.00 C ATOM 1591 CG2 VAL A 108 -5.847 5.211 10.141 1.00 0.00 C ATOM 0 H VAL A 108 -6.513 3.037 11.160 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.777 2.440 10.441 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.863 4.797 9.480 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -5.422 4.239 7.650 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.395 2.854 8.090 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -6.089 2.913 8.632 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -6.055 5.915 9.335 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.756 4.664 10.389 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.501 5.757 11.019 1.00 0.00 H new ATOM 1601 N ARG A 109 -4.413 4.202 13.056 1.00 0.00 N ATOM 1602 CA ARG A 109 -3.836 5.018 14.128 1.00 0.00 C ATOM 1603 C ARG A 109 -2.514 4.442 14.659 1.00 0.00 C ATOM 1604 O ARG A 109 -1.554 5.193 14.828 1.00 0.00 O ATOM 1605 CB ARG A 109 -4.821 5.216 15.283 1.00 0.00 C ATOM 1606 CG ARG A 109 -4.419 6.336 16.226 1.00 0.00 C ATOM 1607 CD ARG A 109 -5.484 6.596 17.275 1.00 0.00 C ATOM 1608 NE ARG A 109 -5.287 7.887 17.933 1.00 0.00 N ATOM 1609 CZ ARG A 109 -6.266 8.587 18.503 1.00 0.00 C ATOM 1610 NH1 ARG A 109 -7.481 8.062 18.606 1.00 0.00 N ATOM 1611 NH2 ARG A 109 -6.023 9.798 18.992 1.00 0.00 N ATOM 0 H ARG A 109 -5.356 3.859 13.240 1.00 0.00 H new ATOM 0 HA ARG A 109 -3.622 5.989 13.682 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -5.810 5.429 14.876 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -4.902 4.287 15.847 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -3.480 6.079 16.717 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -4.241 7.247 15.654 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -6.469 6.571 16.809 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -5.464 5.800 18.020 1.00 0.00 H new ATOM 0 HE ARG A 109 -4.344 8.274 17.957 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -7.663 7.124 18.249 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -8.232 8.597 19.042 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -5.085 10.194 18.931 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -6.775 10.332 19.428 1.00 0.00 H new ATOM 1625 N PRO A 110 -2.431 3.118 14.943 1.00 0.00 N ATOM 1626 CA PRO A 110 -1.178 2.490 15.391 1.00 0.00 C ATOM 1627 C PRO A 110 -0.003 2.772 14.453 1.00 0.00 C ATOM 1628 O PRO A 110 1.134 2.919 14.898 1.00 0.00 O ATOM 1629 CB PRO A 110 -1.506 0.995 15.393 1.00 0.00 C ATOM 1630 CG PRO A 110 -2.979 0.935 15.595 1.00 0.00 C ATOM 1631 CD PRO A 110 -3.539 2.140 14.896 1.00 0.00 C ATOM 0 HA PRO A 110 -0.863 2.877 16.360 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -1.215 0.524 14.454 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.975 0.474 16.189 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -3.393 0.016 15.181 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.229 0.948 16.656 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.827 1.910 13.870 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -4.429 2.518 15.400 1.00 0.00 H new ATOM 1639 N LEU A 111 -0.285 2.863 13.159 1.00 0.00 N ATOM 1640 CA LEU A 111 0.757 3.120 12.171 1.00 0.00 C ATOM 1641 C LEU A 111 1.166 4.588 12.191 1.00 0.00 C ATOM 1642 O LEU A 111 2.352 4.914 12.132 1.00 0.00 O ATOM 1643 CB LEU A 111 0.287 2.715 10.774 1.00 0.00 C ATOM 1644 CG LEU A 111 0.003 1.221 10.597 1.00 0.00 C ATOM 1645 CD1 LEU A 111 -0.484 0.936 9.187 1.00 0.00 C ATOM 1646 CD2 LEU A 111 1.247 0.402 10.908 1.00 0.00 C ATOM 0 H LEU A 111 -1.223 2.763 12.770 1.00 0.00 H new ATOM 0 HA LEU A 111 1.627 2.517 12.429 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.619 3.273 10.535 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.046 3.014 10.051 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.782 0.934 11.297 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.681 -0.131 9.079 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -1.400 1.495 8.999 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.279 1.238 8.470 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.027 -0.658 10.777 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.052 0.692 10.232 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.555 0.584 11.938 1.00 0.00 H new ATOM 1658 N LEU A 112 0.182 5.475 12.296 1.00 0.00 N ATOM 1659 CA LEU A 112 0.453 6.906 12.396 1.00 0.00 C ATOM 1660 C LEU A 112 1.209 7.217 13.684 1.00 0.00 C ATOM 1661 O LEU A 112 1.958 8.190 13.759 1.00 0.00 O ATOM 1662 CB LEU A 112 -0.847 7.721 12.334 1.00 0.00 C ATOM 1663 CG LEU A 112 -1.361 8.057 10.925 1.00 0.00 C ATOM 1664 CD1 LEU A 112 -1.677 6.800 10.130 1.00 0.00 C ATOM 1665 CD2 LEU A 112 -2.588 8.953 11.010 1.00 0.00 C ATOM 0 H LEU A 112 -0.808 5.230 12.314 1.00 0.00 H new ATOM 0 HA LEU A 112 1.073 7.190 11.546 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -1.625 7.169 12.862 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.695 8.654 12.876 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.568 8.590 10.400 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -2.038 7.077 9.139 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.775 6.195 10.032 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.445 6.225 10.648 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.941 9.183 10.005 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -3.375 8.440 11.563 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.328 9.879 11.524 1.00 0.00 H new ATOM 1677 N ALA A 113 1.023 6.371 14.692 1.00 0.00 N ATOM 1678 CA ALA A 113 1.723 6.521 15.960 1.00 0.00 C ATOM 1679 C ALA A 113 3.197 6.156 15.812 1.00 0.00 C ATOM 1680 O ALA A 113 4.031 6.539 16.632 1.00 0.00 O ATOM 1681 CB ALA A 113 1.069 5.663 17.030 1.00 0.00 C ATOM 0 H ALA A 113 0.390 5.572 14.653 1.00 0.00 H new ATOM 0 HA ALA A 113 1.660 7.566 16.264 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.604 5.786 17.972 1.00 0.00 H new ATOM 0 HB2 ALA A 113 0.031 5.970 17.159 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.102 4.616 16.728 1.00 0.00 H new ATOM 1687 N MET A 114 3.507 5.408 14.760 1.00 0.00 N ATOM 1688 CA MET A 114 4.883 5.042 14.455 1.00 0.00 C ATOM 1689 C MET A 114 5.503 6.082 13.531 1.00 0.00 C ATOM 1690 O MET A 114 6.702 6.048 13.250 1.00 0.00 O ATOM 1691 CB MET A 114 4.941 3.668 13.781 1.00 0.00 C ATOM 1692 CG MET A 114 4.310 2.552 14.593 1.00 0.00 C ATOM 1693 SD MET A 114 4.367 0.961 13.747 1.00 0.00 S ATOM 1694 CE MET A 114 3.445 -0.056 14.897 1.00 0.00 C ATOM 0 H MET A 114 2.820 5.042 14.101 1.00 0.00 H new ATOM 0 HA MET A 114 5.441 5.001 15.390 1.00 0.00 H new ATOM 0 HB2 MET A 114 4.440 3.728 12.815 1.00 0.00 H new ATOM 0 HB3 MET A 114 5.983 3.415 13.585 1.00 0.00 H new ATOM 0 HG2 MET A 114 4.824 2.469 15.550 1.00 0.00 H new ATOM 0 HG3 MET A 114 3.273 2.807 14.810 1.00 0.00 H new ATOM 0 HE1 MET A 114 3.389 -1.076 14.517 1.00 0.00 H new ATOM 0 HE2 MET A 114 3.946 -0.056 15.865 1.00 0.00 H new ATOM 0 HE3 MET A 114 2.438 0.344 15.010 1.00 0.00 H new ATOM 1704 N GLY A 115 4.673 7.004 13.062 1.00 0.00 N ATOM 1705 CA GLY A 115 5.130 8.016 12.130 1.00 0.00 C ATOM 1706 C GLY A 115 4.960 7.582 10.690 1.00 0.00 C ATOM 1707 O GLY A 115 5.573 8.152 9.787 1.00 0.00 O ATOM 0 H GLY A 115 3.686 7.069 13.312 1.00 0.00 H new ATOM 0 HA2 GLY A 115 4.576 8.939 12.298 1.00 0.00 H new ATOM 0 HA3 GLY A 115 6.181 8.236 12.320 1.00 0.00 H new ATOM 1711 N VAL A 116 4.130 6.571 10.473 1.00 0.00 N ATOM 1712 CA VAL A 116 3.881 6.059 9.133 1.00 0.00 C ATOM 1713 C VAL A 116 2.679 6.763 8.512 1.00 0.00 C ATOM 1714 O VAL A 116 1.560 6.674 9.025 1.00 0.00 O ATOM 1715 CB VAL A 116 3.632 4.533 9.144 1.00 0.00 C ATOM 1716 CG1 VAL A 116 3.427 4.007 7.731 1.00 0.00 C ATOM 1717 CG2 VAL A 116 4.783 3.803 9.828 1.00 0.00 C ATOM 0 H VAL A 116 3.616 6.088 11.210 1.00 0.00 H new ATOM 0 HA VAL A 116 4.772 6.258 8.537 1.00 0.00 H new ATOM 0 HB VAL A 116 2.721 4.343 9.712 1.00 0.00 H new ATOM 0 HG11 VAL A 116 3.254 2.931 7.765 1.00 0.00 H new ATOM 0 HG12 VAL A 116 2.565 4.499 7.281 1.00 0.00 H new ATOM 0 HG13 VAL A 116 4.315 4.213 7.134 1.00 0.00 H new ATOM 0 HG21 VAL A 116 4.587 2.731 9.825 1.00 0.00 H new ATOM 0 HG22 VAL A 116 5.711 4.004 9.292 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.875 4.152 10.857 1.00 0.00 H new ATOM 1727 N GLY A 117 2.918 7.476 7.422 1.00 0.00 N ATOM 1728 CA GLY A 117 1.851 8.190 6.756 1.00 0.00 C ATOM 1729 C GLY A 117 1.061 7.292 5.831 1.00 0.00 C ATOM 1730 O GLY A 117 1.444 7.084 4.681 1.00 0.00 O ATOM 0 H GLY A 117 3.835 7.573 6.986 1.00 0.00 H new ATOM 0 HA2 GLY A 117 1.183 8.621 7.501 1.00 0.00 H new ATOM 0 HA3 GLY A 117 2.270 9.019 6.186 1.00 0.00 H new ATOM 1734 N VAL A 118 -0.028 6.737 6.339 1.00 0.00 N ATOM 1735 CA VAL A 118 -0.882 5.871 5.541 1.00 0.00 C ATOM 1736 C VAL A 118 -1.863 6.704 4.724 1.00 0.00 C ATOM 1737 O VAL A 118 -2.655 7.466 5.280 1.00 0.00 O ATOM 1738 CB VAL A 118 -1.668 4.879 6.425 1.00 0.00 C ATOM 1739 CG1 VAL A 118 -2.456 3.893 5.572 1.00 0.00 C ATOM 1740 CG2 VAL A 118 -0.730 4.145 7.370 1.00 0.00 C ATOM 0 H VAL A 118 -0.342 6.871 7.300 1.00 0.00 H new ATOM 0 HA VAL A 118 -0.236 5.301 4.873 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.380 5.449 7.022 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -3.000 3.206 6.220 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -3.162 4.437 4.945 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -1.770 3.329 4.940 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -1.303 3.451 7.985 1.00 0.00 H new ATOM 0 HG22 VAL A 118 0.010 3.592 6.791 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -0.224 4.865 8.012 1.00 0.00 H new ATOM 1750 N GLU A 119 -1.797 6.564 3.410 1.00 0.00 N ATOM 1751 CA GLU A 119 -2.666 7.312 2.516 1.00 0.00 C ATOM 1752 C GLU A 119 -3.419 6.365 1.592 1.00 0.00 C ATOM 1753 O GLU A 119 -2.816 5.525 0.922 1.00 0.00 O ATOM 1754 CB GLU A 119 -1.852 8.322 1.702 1.00 0.00 C ATOM 1755 CG GLU A 119 -1.207 9.403 2.553 1.00 0.00 C ATOM 1756 CD GLU A 119 -0.445 10.417 1.728 1.00 0.00 C ATOM 1757 OE1 GLU A 119 -1.073 11.090 0.886 1.00 0.00 O ATOM 1758 OE2 GLU A 119 0.781 10.551 1.922 1.00 0.00 O ATOM 0 H GLU A 119 -1.147 5.936 2.937 1.00 0.00 H new ATOM 0 HA GLU A 119 -3.393 7.859 3.116 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -1.075 7.792 1.151 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -2.502 8.791 0.964 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.978 9.915 3.129 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.529 8.940 3.269 1.00 0.00 H new ATOM 1765 N ALA A 120 -4.737 6.504 1.563 1.00 0.00 N ATOM 1766 CA ALA A 120 -5.582 5.632 0.759 1.00 0.00 C ATOM 1767 C ALA A 120 -6.170 6.393 -0.421 1.00 0.00 C ATOM 1768 O ALA A 120 -6.927 7.348 -0.244 1.00 0.00 O ATOM 1769 CB ALA A 120 -6.690 5.032 1.613 1.00 0.00 C ATOM 0 H ALA A 120 -5.246 7.215 2.089 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.967 4.821 0.370 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -7.313 4.383 0.997 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.250 4.451 2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -7.301 5.832 2.030 1.00 0.00 H new ATOM 1775 N MET A 121 -5.805 5.970 -1.623 1.00 0.00 N ATOM 1776 CA MET A 121 -6.279 6.602 -2.850 1.00 0.00 C ATOM 1777 C MET A 121 -6.527 5.537 -3.910 1.00 0.00 C ATOM 1778 O MET A 121 -6.484 4.344 -3.612 1.00 0.00 O ATOM 1779 CB MET A 121 -5.260 7.625 -3.369 1.00 0.00 C ATOM 1780 CG MET A 121 -5.127 8.865 -2.497 1.00 0.00 C ATOM 1781 SD MET A 121 -3.961 10.066 -3.168 1.00 0.00 S ATOM 1782 CE MET A 121 -2.434 9.129 -3.112 1.00 0.00 C ATOM 0 H MET A 121 -5.175 5.183 -1.777 1.00 0.00 H new ATOM 0 HA MET A 121 -7.209 7.126 -2.632 1.00 0.00 H new ATOM 0 HB2 MET A 121 -4.285 7.143 -3.448 1.00 0.00 H new ATOM 0 HB3 MET A 121 -5.548 7.930 -4.375 1.00 0.00 H new ATOM 0 HG2 MET A 121 -6.105 9.335 -2.389 1.00 0.00 H new ATOM 0 HG3 MET A 121 -4.804 8.569 -1.499 1.00 0.00 H new ATOM 0 HE1 MET A 121 -1.586 9.812 -3.166 1.00 0.00 H new ATOM 0 HE2 MET A 121 -2.387 8.565 -2.180 1.00 0.00 H new ATOM 0 HE3 MET A 121 -2.399 8.439 -3.955 1.00 0.00 H new ATOM 1792 N ASP A 122 -6.801 5.967 -5.136 1.00 0.00 N ATOM 1793 CA ASP A 122 -6.959 5.039 -6.253 1.00 0.00 C ATOM 1794 C ASP A 122 -5.633 4.354 -6.555 1.00 0.00 C ATOM 1795 O ASP A 122 -4.567 4.907 -6.285 1.00 0.00 O ATOM 1796 CB ASP A 122 -7.455 5.760 -7.511 1.00 0.00 C ATOM 1797 CG ASP A 122 -8.891 6.230 -7.402 1.00 0.00 C ATOM 1798 OD1 ASP A 122 -9.799 5.378 -7.411 1.00 0.00 O ATOM 1799 OD2 ASP A 122 -9.116 7.457 -7.331 1.00 0.00 O ATOM 0 H ASP A 122 -6.918 6.950 -5.383 1.00 0.00 H new ATOM 0 HA ASP A 122 -7.702 4.295 -5.964 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -6.812 6.618 -7.707 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -7.362 5.090 -8.366 1.00 0.00 H new ATOM 1804 N THR A 123 -5.705 3.158 -7.123 1.00 0.00 N ATOM 1805 CA THR A 123 -4.514 2.378 -7.431 1.00 0.00 C ATOM 1806 C THR A 123 -3.572 3.147 -8.357 1.00 0.00 C ATOM 1807 O THR A 123 -2.359 3.164 -8.147 1.00 0.00 O ATOM 1808 CB THR A 123 -4.900 1.037 -8.079 1.00 0.00 C ATOM 1809 OG1 THR A 123 -5.963 0.444 -7.330 1.00 0.00 O ATOM 1810 CG2 THR A 123 -3.714 0.084 -8.121 1.00 0.00 C ATOM 0 H THR A 123 -6.581 2.704 -7.381 1.00 0.00 H new ATOM 0 HA THR A 123 -3.994 2.186 -6.493 1.00 0.00 H new ATOM 0 HB THR A 123 -5.220 1.226 -9.104 1.00 0.00 H new ATOM 0 HG1 THR A 123 -6.193 -0.425 -7.720 1.00 0.00 H new ATOM 0 HG21 THR A 123 -4.018 -0.855 -8.584 1.00 0.00 H new ATOM 0 HG22 THR A 123 -2.908 0.532 -8.703 1.00 0.00 H new ATOM 0 HG23 THR A 123 -3.366 -0.108 -7.106 1.00 0.00 H new ATOM 1818 N GLN A 124 -4.145 3.796 -9.367 1.00 0.00 N ATOM 1819 CA GLN A 124 -3.369 4.599 -10.301 1.00 0.00 C ATOM 1820 C GLN A 124 -2.646 5.729 -9.575 1.00 0.00 C ATOM 1821 O GLN A 124 -1.447 5.922 -9.758 1.00 0.00 O ATOM 1822 CB GLN A 124 -4.279 5.170 -11.389 1.00 0.00 C ATOM 1823 CG GLN A 124 -3.549 6.025 -12.412 1.00 0.00 C ATOM 1824 CD GLN A 124 -4.456 6.487 -13.531 1.00 0.00 C ATOM 1825 OE1 GLN A 124 -5.411 5.802 -13.893 1.00 0.00 O ATOM 1826 NE2 GLN A 124 -4.171 7.649 -14.087 1.00 0.00 N ATOM 0 H GLN A 124 -5.147 3.780 -9.558 1.00 0.00 H new ATOM 0 HA GLN A 124 -2.621 3.956 -10.765 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -4.775 4.347 -11.904 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -5.060 5.769 -10.920 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -3.119 6.894 -11.914 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -2.720 5.456 -12.832 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -3.370 8.189 -13.759 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -4.752 8.008 -14.845 1.00 0.00 H new ATOM 1835 N ALA A 125 -3.380 6.454 -8.736 1.00 0.00 N ATOM 1836 CA ALA A 125 -2.814 7.570 -7.982 1.00 0.00 C ATOM 1837 C ALA A 125 -1.732 7.085 -7.021 1.00 0.00 C ATOM 1838 O ALA A 125 -0.697 7.734 -6.853 1.00 0.00 O ATOM 1839 CB ALA A 125 -3.909 8.305 -7.223 1.00 0.00 C ATOM 0 H ALA A 125 -4.371 6.289 -8.560 1.00 0.00 H new ATOM 0 HA ALA A 125 -2.354 8.261 -8.689 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -3.472 9.134 -6.666 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -4.645 8.690 -7.929 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -4.395 7.618 -6.530 1.00 0.00 H new ATOM 1845 N ALA A 126 -1.973 5.938 -6.399 1.00 0.00 N ATOM 1846 CA ALA A 126 -1.012 5.350 -5.476 1.00 0.00 C ATOM 1847 C ALA A 126 0.269 4.961 -6.204 1.00 0.00 C ATOM 1848 O ALA A 126 1.363 5.330 -5.782 1.00 0.00 O ATOM 1849 CB ALA A 126 -1.616 4.142 -4.776 1.00 0.00 C ATOM 0 H ALA A 126 -2.828 5.395 -6.518 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.762 6.097 -4.723 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -0.884 3.715 -4.090 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -2.500 4.449 -4.218 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -1.897 3.394 -5.518 1.00 0.00 H new ATOM 1855 N ALA A 127 0.125 4.237 -7.308 1.00 0.00 N ATOM 1856 CA ALA A 127 1.274 3.799 -8.095 1.00 0.00 C ATOM 1857 C ALA A 127 2.012 4.992 -8.693 1.00 0.00 C ATOM 1858 O ALA A 127 3.241 5.012 -8.748 1.00 0.00 O ATOM 1859 CB ALA A 127 0.833 2.843 -9.191 1.00 0.00 C ATOM 0 H ALA A 127 -0.777 3.940 -7.680 1.00 0.00 H new ATOM 0 HA ALA A 127 1.961 3.274 -7.430 1.00 0.00 H new ATOM 0 HB1 ALA A 127 1.701 2.526 -9.768 1.00 0.00 H new ATOM 0 HB2 ALA A 127 0.357 1.971 -8.743 1.00 0.00 H new ATOM 0 HB3 ALA A 127 0.124 3.346 -9.849 1.00 0.00 H new ATOM 1865 N ARG A 128 1.251 5.987 -9.131 1.00 0.00 N ATOM 1866 CA ARG A 128 1.818 7.206 -9.696 1.00 0.00 C ATOM 1867 C ARG A 128 2.702 7.907 -8.670 1.00 0.00 C ATOM 1868 O ARG A 128 3.856 8.250 -8.949 1.00 0.00 O ATOM 1869 CB ARG A 128 0.692 8.138 -10.147 1.00 0.00 C ATOM 1870 CG ARG A 128 1.168 9.375 -10.884 1.00 0.00 C ATOM 1871 CD ARG A 128 0.002 10.258 -11.289 1.00 0.00 C ATOM 1872 NE ARG A 128 0.433 11.389 -12.102 1.00 0.00 N ATOM 1873 CZ ARG A 128 -0.378 12.356 -12.526 1.00 0.00 C ATOM 1874 NH1 ARG A 128 -1.659 12.360 -12.180 1.00 0.00 N ATOM 1875 NH2 ARG A 128 0.097 13.330 -13.286 1.00 0.00 N ATOM 0 H ARG A 128 0.231 5.973 -9.105 1.00 0.00 H new ATOM 0 HA ARG A 128 2.432 6.944 -10.558 1.00 0.00 H new ATOM 0 HB2 ARG A 128 0.012 7.583 -10.793 1.00 0.00 H new ATOM 0 HB3 ARG A 128 0.119 8.447 -9.273 1.00 0.00 H new ATOM 0 HG2 ARG A 128 1.851 9.939 -10.249 1.00 0.00 H new ATOM 0 HG3 ARG A 128 1.728 9.079 -11.771 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -0.725 9.667 -11.846 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -0.503 10.625 -10.395 1.00 0.00 H new ATOM 0 HE ARG A 128 1.418 11.443 -12.362 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -2.029 11.619 -11.585 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -2.274 13.104 -12.509 1.00 0.00 H new ATOM 0 HH21 ARG A 128 1.083 13.339 -13.546 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -0.523 14.071 -13.612 1.00 0.00 H new ATOM 1889 N THR A 129 2.159 8.098 -7.475 1.00 0.00 N ATOM 1890 CA THR A 129 2.894 8.727 -6.390 1.00 0.00 C ATOM 1891 C THR A 129 4.072 7.849 -5.962 1.00 0.00 C ATOM 1892 O THR A 129 5.145 8.351 -5.625 1.00 0.00 O ATOM 1893 CB THR A 129 1.971 8.988 -5.185 1.00 0.00 C ATOM 1894 OG1 THR A 129 0.774 9.642 -5.630 1.00 0.00 O ATOM 1895 CG2 THR A 129 2.658 9.857 -4.141 1.00 0.00 C ATOM 0 H THR A 129 1.207 7.824 -7.234 1.00 0.00 H new ATOM 0 HA THR A 129 3.276 9.682 -6.750 1.00 0.00 H new ATOM 0 HB THR A 129 1.729 8.028 -4.729 1.00 0.00 H new ATOM 0 HG1 THR A 129 0.144 8.974 -5.971 1.00 0.00 H new ATOM 0 HG21 THR A 129 1.981 10.023 -3.303 1.00 0.00 H new ATOM 0 HG22 THR A 129 3.558 9.356 -3.786 1.00 0.00 H new ATOM 0 HG23 THR A 129 2.927 10.815 -4.585 1.00 0.00 H new ATOM 1903 N TYR A 130 3.864 6.535 -6.001 1.00 0.00 N ATOM 1904 CA TYR A 130 4.911 5.576 -5.669 1.00 0.00 C ATOM 1905 C TYR A 130 6.113 5.753 -6.585 1.00 0.00 C ATOM 1906 O TYR A 130 7.248 5.805 -6.118 1.00 0.00 O ATOM 1907 CB TYR A 130 4.374 4.145 -5.771 1.00 0.00 C ATOM 1908 CG TYR A 130 5.425 3.075 -5.559 1.00 0.00 C ATOM 1909 CD1 TYR A 130 5.950 2.829 -4.296 1.00 0.00 C ATOM 1910 CD2 TYR A 130 5.882 2.304 -6.621 1.00 0.00 C ATOM 1911 CE1 TYR A 130 6.906 1.851 -4.098 1.00 0.00 C ATOM 1912 CE2 TYR A 130 6.839 1.324 -6.431 1.00 0.00 C ATOM 1913 CZ TYR A 130 7.345 1.101 -5.168 1.00 0.00 C ATOM 1914 OH TYR A 130 8.291 0.122 -4.974 1.00 0.00 O ATOM 0 H TYR A 130 2.974 6.110 -6.261 1.00 0.00 H new ATOM 0 HA TYR A 130 5.230 5.759 -4.643 1.00 0.00 H new ATOM 0 HB2 TYR A 130 3.582 4.012 -5.035 1.00 0.00 H new ATOM 0 HB3 TYR A 130 3.923 4.007 -6.753 1.00 0.00 H new ATOM 0 HD1 TYR A 130 5.605 3.412 -3.455 1.00 0.00 H new ATOM 0 HD2 TYR A 130 5.483 2.473 -7.610 1.00 0.00 H new ATOM 0 HE1 TYR A 130 7.307 1.675 -3.111 1.00 0.00 H new ATOM 0 HE2 TYR A 130 7.188 0.737 -7.267 1.00 0.00 H new ATOM 0 HH TYR A 130 7.892 -0.757 -5.146 1.00 0.00 H new ATOM 1924 N ASN A 131 5.855 5.861 -7.885 1.00 0.00 N ATOM 1925 CA ASN A 131 6.920 6.066 -8.865 1.00 0.00 C ATOM 1926 C ASN A 131 7.725 7.319 -8.533 1.00 0.00 C ATOM 1927 O ASN A 131 8.955 7.313 -8.598 1.00 0.00 O ATOM 1928 CB ASN A 131 6.349 6.171 -10.284 1.00 0.00 C ATOM 1929 CG ASN A 131 5.760 4.865 -10.786 1.00 0.00 C ATOM 1930 OD1 ASN A 131 6.193 3.780 -10.398 1.00 0.00 O ATOM 1931 ND2 ASN A 131 4.771 4.958 -11.666 1.00 0.00 N ATOM 0 H ASN A 131 4.918 5.810 -8.286 1.00 0.00 H new ATOM 0 HA ASN A 131 7.582 5.201 -8.822 1.00 0.00 H new ATOM 0 HB2 ASN A 131 5.578 6.942 -10.303 1.00 0.00 H new ATOM 0 HB3 ASN A 131 7.138 6.492 -10.964 1.00 0.00 H new ATOM 0 HD21 ASN A 131 4.344 4.113 -12.044 1.00 0.00 H new ATOM 0 HD22 ASN A 131 4.438 5.875 -11.964 1.00 0.00 H new ATOM 1938 N ILE A 132 7.024 8.387 -8.162 1.00 0.00 N ATOM 1939 CA ILE A 132 7.677 9.639 -7.786 1.00 0.00 C ATOM 1940 C ILE A 132 8.536 9.449 -6.534 1.00 0.00 C ATOM 1941 O ILE A 132 9.726 9.771 -6.528 1.00 0.00 O ATOM 1942 CB ILE A 132 6.652 10.764 -7.524 1.00 0.00 C ATOM 1943 CG1 ILE A 132 5.763 10.976 -8.751 1.00 0.00 C ATOM 1944 CG2 ILE A 132 7.367 12.060 -7.156 1.00 0.00 C ATOM 1945 CD1 ILE A 132 4.666 11.998 -8.543 1.00 0.00 C ATOM 0 H ILE A 132 6.005 8.411 -8.113 1.00 0.00 H new ATOM 0 HA ILE A 132 8.308 9.929 -8.626 1.00 0.00 H new ATOM 0 HB ILE A 132 6.020 10.466 -6.687 1.00 0.00 H new ATOM 0 HG12 ILE A 132 6.385 11.291 -9.589 1.00 0.00 H new ATOM 0 HG13 ILE A 132 5.311 10.024 -9.029 1.00 0.00 H new ATOM 0 HG21 ILE A 132 6.631 12.843 -6.975 1.00 0.00 H new ATOM 0 HG22 ILE A 132 7.961 11.905 -6.255 1.00 0.00 H new ATOM 0 HG23 ILE A 132 8.021 12.360 -7.975 1.00 0.00 H new ATOM 0 HD11 ILE A 132 4.079 12.093 -9.456 1.00 0.00 H new ATOM 0 HD12 ILE A 132 4.019 11.676 -7.727 1.00 0.00 H new ATOM 0 HD13 ILE A 132 5.109 12.962 -8.295 1.00 0.00 H new ATOM 1957 N LEU A 133 7.928 8.906 -5.487 1.00 0.00 N ATOM 1958 CA LEU A 133 8.602 8.722 -4.205 1.00 0.00 C ATOM 1959 C LEU A 133 9.766 7.738 -4.320 1.00 0.00 C ATOM 1960 O LEU A 133 10.792 7.896 -3.656 1.00 0.00 O ATOM 1961 CB LEU A 133 7.602 8.238 -3.153 1.00 0.00 C ATOM 1962 CG LEU A 133 6.476 9.222 -2.833 1.00 0.00 C ATOM 1963 CD1 LEU A 133 5.447 8.580 -1.920 1.00 0.00 C ATOM 1964 CD2 LEU A 133 7.035 10.481 -2.189 1.00 0.00 C ATOM 0 H LEU A 133 6.961 8.582 -5.500 1.00 0.00 H new ATOM 0 HA LEU A 133 9.010 9.685 -3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 133 7.160 7.302 -3.496 1.00 0.00 H new ATOM 0 HB3 LEU A 133 8.143 8.016 -2.233 1.00 0.00 H new ATOM 0 HG LEU A 133 5.987 9.495 -3.768 1.00 0.00 H new ATOM 0 HD11 LEU A 133 4.654 9.297 -1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 133 5.021 7.705 -2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 133 5.926 8.277 -0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 133 6.219 11.170 -1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.549 10.219 -1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 133 7.738 10.958 -2.872 1.00 0.00 H new ATOM 1976 N MET A 134 9.599 6.727 -5.161 1.00 0.00 N ATOM 1977 CA MET A 134 10.655 5.751 -5.404 1.00 0.00 C ATOM 1978 C MET A 134 11.847 6.415 -6.079 1.00 0.00 C ATOM 1979 O MET A 134 12.995 6.143 -5.733 1.00 0.00 O ATOM 1980 CB MET A 134 10.139 4.604 -6.273 1.00 0.00 C ATOM 1981 CG MET A 134 11.207 3.582 -6.627 1.00 0.00 C ATOM 1982 SD MET A 134 10.606 2.300 -7.739 1.00 0.00 S ATOM 1983 CE MET A 134 10.021 3.288 -9.118 1.00 0.00 C ATOM 0 H MET A 134 8.742 6.560 -5.688 1.00 0.00 H new ATOM 0 HA MET A 134 10.972 5.347 -4.443 1.00 0.00 H new ATOM 0 HB2 MET A 134 9.325 4.101 -5.751 1.00 0.00 H new ATOM 0 HB3 MET A 134 9.722 5.015 -7.192 1.00 0.00 H new ATOM 0 HG2 MET A 134 12.052 4.092 -7.091 1.00 0.00 H new ATOM 0 HG3 MET A 134 11.577 3.119 -5.712 1.00 0.00 H new ATOM 0 HE1 MET A 134 10.343 2.833 -10.054 1.00 0.00 H new ATOM 0 HE2 MET A 134 8.932 3.337 -9.094 1.00 0.00 H new ATOM 0 HE3 MET A 134 10.432 4.295 -9.044 1.00 0.00 H new ATOM 1993 N ALA A 135 11.566 7.295 -7.032 1.00 0.00 N ATOM 1994 CA ALA A 135 12.615 8.025 -7.730 1.00 0.00 C ATOM 1995 C ALA A 135 13.371 8.935 -6.766 1.00 0.00 C ATOM 1996 O ALA A 135 14.567 9.170 -6.926 1.00 0.00 O ATOM 1997 CB ALA A 135 12.029 8.832 -8.876 1.00 0.00 C ATOM 0 H ALA A 135 10.620 7.520 -7.339 1.00 0.00 H new ATOM 0 HA ALA A 135 13.320 7.302 -8.142 1.00 0.00 H new ATOM 0 HB1 ALA A 135 12.827 9.371 -9.387 1.00 0.00 H new ATOM 0 HB2 ALA A 135 11.537 8.160 -9.580 1.00 0.00 H new ATOM 0 HB3 ALA A 135 11.302 9.544 -8.485 1.00 0.00 H new ATOM 2003 N GLU A 136 12.663 9.432 -5.758 1.00 0.00 N ATOM 2004 CA GLU A 136 13.274 10.263 -4.726 1.00 0.00 C ATOM 2005 C GLU A 136 14.138 9.417 -3.792 1.00 0.00 C ATOM 2006 O GLU A 136 15.021 9.931 -3.106 1.00 0.00 O ATOM 2007 CB GLU A 136 12.199 10.983 -3.910 1.00 0.00 C ATOM 2008 CG GLU A 136 11.393 12.000 -4.697 1.00 0.00 C ATOM 2009 CD GLU A 136 10.373 12.716 -3.834 1.00 0.00 C ATOM 2010 OE1 GLU A 136 10.777 13.345 -2.830 1.00 0.00 O ATOM 2011 OE2 GLU A 136 9.170 12.665 -4.155 1.00 0.00 O ATOM 0 H GLU A 136 11.663 9.274 -5.633 1.00 0.00 H new ATOM 0 HA GLU A 136 13.904 11.002 -5.221 1.00 0.00 H new ATOM 0 HB2 GLU A 136 11.518 10.241 -3.494 1.00 0.00 H new ATOM 0 HB3 GLU A 136 12.675 11.487 -3.069 1.00 0.00 H new ATOM 0 HG2 GLU A 136 12.069 12.732 -5.140 1.00 0.00 H new ATOM 0 HG3 GLU A 136 10.882 11.498 -5.519 1.00 0.00 H new ATOM 2018 N GLY A 137 13.875 8.117 -3.774 1.00 0.00 N ATOM 2019 CA GLY A 137 14.592 7.221 -2.889 1.00 0.00 C ATOM 2020 C GLY A 137 14.097 7.326 -1.464 1.00 0.00 C ATOM 2021 O GLY A 137 14.884 7.296 -0.518 1.00 0.00 O ATOM 0 H GLY A 137 13.173 7.665 -4.361 1.00 0.00 H new ATOM 0 HA2 GLY A 137 14.477 6.195 -3.239 1.00 0.00 H new ATOM 0 HA3 GLY A 137 15.657 7.452 -2.922 1.00 0.00 H new ATOM 2025 N ARG A 138 12.789 7.465 -1.313 1.00 0.00 N ATOM 2026 CA ARG A 138 12.182 7.616 -0.009 1.00 0.00 C ATOM 2027 C ARG A 138 11.654 6.282 0.502 1.00 0.00 C ATOM 2028 O ARG A 138 11.473 5.341 -0.273 1.00 0.00 O ATOM 2029 CB ARG A 138 11.043 8.624 -0.101 1.00 0.00 C ATOM 2030 CG ARG A 138 11.491 9.996 -0.574 1.00 0.00 C ATOM 2031 CD ARG A 138 10.322 10.955 -0.700 1.00 0.00 C ATOM 2032 NE ARG A 138 9.804 11.378 0.599 1.00 0.00 N ATOM 2033 CZ ARG A 138 9.320 12.595 0.836 1.00 0.00 C ATOM 2034 NH1 ARG A 138 9.248 13.488 -0.146 1.00 0.00 N ATOM 2035 NH2 ARG A 138 8.909 12.919 2.053 1.00 0.00 N ATOM 0 H ARG A 138 12.126 7.476 -2.088 1.00 0.00 H new ATOM 0 HA ARG A 138 12.937 7.973 0.692 1.00 0.00 H new ATOM 0 HB2 ARG A 138 10.284 8.242 -0.783 1.00 0.00 H new ATOM 0 HB3 ARG A 138 10.573 8.720 0.878 1.00 0.00 H new ATOM 0 HG2 ARG A 138 12.221 10.402 0.126 1.00 0.00 H new ATOM 0 HG3 ARG A 138 11.991 9.903 -1.538 1.00 0.00 H new ATOM 0 HD2 ARG A 138 10.635 11.832 -1.266 1.00 0.00 H new ATOM 0 HD3 ARG A 138 9.524 10.477 -1.268 1.00 0.00 H new ATOM 0 HE ARG A 138 9.814 10.705 1.365 1.00 0.00 H new ATOM 0 HH11 ARG A 138 9.564 13.241 -1.084 1.00 0.00 H new ATOM 0 HH12 ARG A 138 8.877 14.420 0.038 1.00 0.00 H new ATOM 0 HH21 ARG A 138 8.963 12.236 2.808 1.00 0.00 H new ATOM 0 HH22 ARG A 138 8.538 13.852 2.235 1.00 0.00 H new ATOM 2049 N ARG A 139 11.404 6.212 1.802 1.00 0.00 N ATOM 2050 CA ARG A 139 10.841 5.016 2.413 1.00 0.00 C ATOM 2051 C ARG A 139 9.356 4.910 2.089 1.00 0.00 C ATOM 2052 O ARG A 139 8.499 5.290 2.892 1.00 0.00 O ATOM 2053 CB ARG A 139 11.049 5.037 3.930 1.00 0.00 C ATOM 2054 CG ARG A 139 12.488 4.796 4.356 1.00 0.00 C ATOM 2055 CD ARG A 139 12.889 3.342 4.157 1.00 0.00 C ATOM 2056 NE ARG A 139 12.159 2.443 5.053 1.00 0.00 N ATOM 2057 CZ ARG A 139 11.526 1.337 4.651 1.00 0.00 C ATOM 2058 NH1 ARG A 139 11.550 0.975 3.374 1.00 0.00 N ATOM 2059 NH2 ARG A 139 10.894 0.575 5.538 1.00 0.00 N ATOM 0 H ARG A 139 11.583 6.973 2.457 1.00 0.00 H new ATOM 0 HA ARG A 139 11.355 4.146 2.005 1.00 0.00 H new ATOM 0 HB2 ARG A 139 10.722 6.001 4.319 1.00 0.00 H new ATOM 0 HB3 ARG A 139 10.413 4.277 4.385 1.00 0.00 H new ATOM 0 HG2 ARG A 139 13.152 5.440 3.780 1.00 0.00 H new ATOM 0 HG3 ARG A 139 12.609 5.068 5.404 1.00 0.00 H new ATOM 0 HD2 ARG A 139 12.702 3.053 3.123 1.00 0.00 H new ATOM 0 HD3 ARG A 139 13.960 3.235 4.330 1.00 0.00 H new ATOM 0 HE ARG A 139 12.132 2.675 6.046 1.00 0.00 H new ATOM 0 HH11 ARG A 139 12.054 1.542 2.692 1.00 0.00 H new ATOM 0 HH12 ARG A 139 11.065 0.129 3.074 1.00 0.00 H new ATOM 0 HH21 ARG A 139 10.893 0.835 6.524 1.00 0.00 H new ATOM 0 HH22 ARG A 139 10.410 -0.269 5.232 1.00 0.00 H new ATOM 2073 N VAL A 140 9.058 4.417 0.901 1.00 0.00 N ATOM 2074 CA VAL A 140 7.687 4.315 0.444 1.00 0.00 C ATOM 2075 C VAL A 140 7.297 2.863 0.192 1.00 0.00 C ATOM 2076 O VAL A 140 7.913 2.163 -0.611 1.00 0.00 O ATOM 2077 CB VAL A 140 7.449 5.161 -0.832 1.00 0.00 C ATOM 2078 CG1 VAL A 140 8.458 4.816 -1.921 1.00 0.00 C ATOM 2079 CG2 VAL A 140 6.024 4.982 -1.341 1.00 0.00 C ATOM 0 H VAL A 140 9.752 4.080 0.233 1.00 0.00 H new ATOM 0 HA VAL A 140 7.054 4.711 1.238 1.00 0.00 H new ATOM 0 HB VAL A 140 7.590 6.209 -0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 140 8.264 5.426 -2.803 1.00 0.00 H new ATOM 0 HG12 VAL A 140 9.467 5.013 -1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 140 8.365 3.762 -2.182 1.00 0.00 H new ATOM 0 HG21 VAL A 140 5.879 5.585 -2.237 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.852 3.932 -1.578 1.00 0.00 H new ATOM 0 HG23 VAL A 140 5.320 5.301 -0.572 1.00 0.00 H new ATOM 2089 N VAL A 141 6.280 2.415 0.904 1.00 0.00 N ATOM 2090 CA VAL A 141 5.736 1.086 0.704 1.00 0.00 C ATOM 2091 C VAL A 141 4.361 1.208 0.067 1.00 0.00 C ATOM 2092 O VAL A 141 3.542 2.018 0.502 1.00 0.00 O ATOM 2093 CB VAL A 141 5.628 0.301 2.030 1.00 0.00 C ATOM 2094 CG1 VAL A 141 5.147 -1.121 1.778 1.00 0.00 C ATOM 2095 CG2 VAL A 141 6.965 0.292 2.756 1.00 0.00 C ATOM 0 H VAL A 141 5.812 2.957 1.631 1.00 0.00 H new ATOM 0 HA VAL A 141 6.413 0.534 0.052 1.00 0.00 H new ATOM 0 HB VAL A 141 4.895 0.801 2.663 1.00 0.00 H new ATOM 0 HG11 VAL A 141 5.078 -1.655 2.726 1.00 0.00 H new ATOM 0 HG12 VAL A 141 4.166 -1.095 1.304 1.00 0.00 H new ATOM 0 HG13 VAL A 141 5.852 -1.633 1.123 1.00 0.00 H new ATOM 0 HG21 VAL A 141 6.869 -0.266 3.688 1.00 0.00 H new ATOM 0 HG22 VAL A 141 7.718 -0.181 2.126 1.00 0.00 H new ATOM 0 HG23 VAL A 141 7.267 1.316 2.975 1.00 0.00 H new ATOM 2105 N VAL A 142 4.114 0.431 -0.972 1.00 0.00 N ATOM 2106 CA VAL A 142 2.861 0.537 -1.695 1.00 0.00 C ATOM 2107 C VAL A 142 2.069 -0.767 -1.618 1.00 0.00 C ATOM 2108 O VAL A 142 2.620 -1.858 -1.782 1.00 0.00 O ATOM 2109 CB VAL A 142 3.091 0.939 -3.173 1.00 0.00 C ATOM 2110 CG1 VAL A 142 3.829 -0.150 -3.938 1.00 0.00 C ATOM 2111 CG2 VAL A 142 1.776 1.281 -3.853 1.00 0.00 C ATOM 0 H VAL A 142 4.758 -0.274 -1.331 1.00 0.00 H new ATOM 0 HA VAL A 142 2.278 1.324 -1.217 1.00 0.00 H new ATOM 0 HB VAL A 142 3.719 1.830 -3.178 1.00 0.00 H new ATOM 0 HG11 VAL A 142 3.973 0.165 -4.971 1.00 0.00 H new ATOM 0 HG12 VAL A 142 4.799 -0.327 -3.474 1.00 0.00 H new ATOM 0 HG13 VAL A 142 3.244 -1.069 -3.918 1.00 0.00 H new ATOM 0 HG21 VAL A 142 1.964 1.560 -4.890 1.00 0.00 H new ATOM 0 HG22 VAL A 142 1.116 0.414 -3.825 1.00 0.00 H new ATOM 0 HG23 VAL A 142 1.303 2.114 -3.333 1.00 0.00 H new ATOM 2121 N ALA A 143 0.785 -0.639 -1.331 1.00 0.00 N ATOM 2122 CA ALA A 143 -0.121 -1.774 -1.315 1.00 0.00 C ATOM 2123 C ALA A 143 -1.183 -1.586 -2.387 1.00 0.00 C ATOM 2124 O ALA A 143 -2.037 -0.708 -2.278 1.00 0.00 O ATOM 2125 CB ALA A 143 -0.763 -1.925 0.056 1.00 0.00 C ATOM 0 H ALA A 143 0.343 0.251 -1.103 1.00 0.00 H new ATOM 0 HA ALA A 143 0.440 -2.685 -1.524 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -1.439 -2.780 0.049 1.00 0.00 H new ATOM 0 HB2 ALA A 143 0.013 -2.081 0.806 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -1.324 -1.022 0.297 1.00 0.00 H new ATOM 2131 N LEU A 144 -1.115 -2.393 -3.431 1.00 0.00 N ATOM 2132 CA LEU A 144 -2.007 -2.244 -4.570 1.00 0.00 C ATOM 2133 C LEU A 144 -3.145 -3.254 -4.506 1.00 0.00 C ATOM 2134 O LEU A 144 -2.908 -4.461 -4.467 1.00 0.00 O ATOM 2135 CB LEU A 144 -1.227 -2.416 -5.875 1.00 0.00 C ATOM 2136 CG LEU A 144 -0.110 -1.394 -6.106 1.00 0.00 C ATOM 2137 CD1 LEU A 144 0.633 -1.697 -7.399 1.00 0.00 C ATOM 2138 CD2 LEU A 144 -0.675 0.019 -6.127 1.00 0.00 C ATOM 0 H LEU A 144 -0.449 -3.161 -3.515 1.00 0.00 H new ATOM 0 HA LEU A 144 -2.436 -1.242 -4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -0.792 -3.415 -5.891 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -1.927 -2.360 -6.708 1.00 0.00 H new ATOM 0 HG LEU A 144 0.599 -1.466 -5.281 1.00 0.00 H new ATOM 0 HD11 LEU A 144 1.423 -0.960 -7.546 1.00 0.00 H new ATOM 0 HD12 LEU A 144 1.072 -2.693 -7.342 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -0.063 -1.655 -8.237 1.00 0.00 H new ATOM 0 HD21 LEU A 144 0.133 0.732 -6.292 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -1.406 0.107 -6.931 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -1.157 0.232 -5.173 1.00 0.00 H new ATOM 2150 N LEU A 145 -4.371 -2.746 -4.477 1.00 0.00 N ATOM 2151 CA LEU A 145 -5.560 -3.587 -4.479 1.00 0.00 C ATOM 2152 C LEU A 145 -6.221 -3.580 -5.854 1.00 0.00 C ATOM 2153 O LEU A 145 -6.796 -2.572 -6.269 1.00 0.00 O ATOM 2154 CB LEU A 145 -6.572 -3.090 -3.436 1.00 0.00 C ATOM 2155 CG LEU A 145 -6.107 -3.143 -1.980 1.00 0.00 C ATOM 2156 CD1 LEU A 145 -7.062 -2.363 -1.088 1.00 0.00 C ATOM 2157 CD2 LEU A 145 -6.015 -4.583 -1.514 1.00 0.00 C ATOM 0 H LEU A 145 -4.568 -1.745 -4.452 1.00 0.00 H new ATOM 0 HA LEU A 145 -5.251 -4.602 -4.231 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -6.837 -2.060 -3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -7.482 -3.683 -3.529 1.00 0.00 H new ATOM 0 HG LEU A 145 -5.119 -2.687 -1.914 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -6.716 -2.411 -0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -7.095 -1.323 -1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -8.060 -2.796 -1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -5.683 -4.609 -0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -6.995 -5.054 -1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -5.301 -5.122 -2.137 1.00 0.00 H new ATOM 2169 N PRO A 146 -6.106 -4.681 -6.602 1.00 0.00 N ATOM 2170 CA PRO A 146 -6.877 -4.876 -7.817 1.00 0.00 C ATOM 2171 C PRO A 146 -8.267 -5.408 -7.485 1.00 0.00 C ATOM 2172 O PRO A 146 -8.417 -6.227 -6.575 1.00 0.00 O ATOM 2173 CB PRO A 146 -6.062 -5.912 -8.586 1.00 0.00 C ATOM 2174 CG PRO A 146 -5.358 -6.707 -7.537 1.00 0.00 C ATOM 2175 CD PRO A 146 -5.207 -5.814 -6.328 1.00 0.00 C ATOM 0 HA PRO A 146 -7.035 -3.958 -8.383 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -6.705 -6.546 -9.196 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -5.352 -5.434 -9.261 1.00 0.00 H new ATOM 0 HG2 PRO A 146 -5.927 -7.602 -7.286 1.00 0.00 H new ATOM 0 HG3 PRO A 146 -4.383 -7.039 -7.895 1.00 0.00 H new ATOM 0 HD2 PRO A 146 -5.488 -6.333 -5.412 1.00 0.00 H new ATOM 0 HD3 PRO A 146 -4.176 -5.483 -6.203 1.00 0.00 H new