USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 579 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 TYR OH : rot 180:sc= -0.035 USER MOD Single : A 8 GLN : amide:sc= -0.663 X(o=-0.66,f=-0.24) USER MOD Single : A 11 GLN : amide:sc= -1.74 K(o=-1.7,f=-9.4!) USER MOD Single : A 15 SER OG : rot -87:sc= 1.18 USER MOD Single : A 17 MET CE :methyl 174:sc= -0.628 (180deg=-0.71) USER MOD Single : A 18 MET CE :methyl -120:sc= -0.337 (180deg=-0.641) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 CYS SG : rot 136:sc= -0.633 USER MOD Single : A 56 THR OG1 : rot -34:sc= -0.0952 USER MOD Single : A 57 SER OG : rot 180:sc= -0.48 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot -33:sc= -4.53! USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -139:sc= 1.08 (180deg=0.0936) USER MOD Single : A 70 HIS : no HD1:sc= -0.415 X(o=-0.41,f=-0.59) USER MOD Single : A 73 GLN : amide:sc= 0.564 K(o=0.56,f=-0.18) USER MOD Single : A 76 SER OG : rot -26:sc= 0.392 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -170:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -145:sc= 1.16 (180deg=-0.0742) USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 7 8.448 -5.786 6.120 1.00 0.00 N ATOM 93 CA TYR A 7 7.159 -5.135 6.262 1.00 0.00 C ATOM 94 C TYR A 7 6.058 -6.139 6.524 1.00 0.00 C ATOM 95 O TYR A 7 6.080 -7.252 6.014 1.00 0.00 O ATOM 96 CB TYR A 7 6.840 -4.289 5.022 1.00 0.00 C ATOM 97 CG TYR A 7 6.321 -5.061 3.828 1.00 0.00 C ATOM 98 CD1 TYR A 7 4.963 -5.282 3.674 1.00 0.00 C ATOM 99 CD2 TYR A 7 7.176 -5.541 2.848 1.00 0.00 C ATOM 100 CE1 TYR A 7 4.467 -5.958 2.587 1.00 0.00 C ATOM 101 CE2 TYR A 7 6.687 -6.226 1.754 1.00 0.00 C ATOM 102 CZ TYR A 7 5.332 -6.432 1.626 1.00 0.00 C ATOM 103 OH TYR A 7 4.844 -7.110 0.536 1.00 0.00 O ATOM 0 HA TYR A 7 7.215 -4.473 7.126 1.00 0.00 H new ATOM 0 HB2 TYR A 7 6.101 -3.536 5.296 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.743 -3.756 4.724 1.00 0.00 H new ATOM 0 HD1 TYR A 7 4.279 -4.915 4.425 1.00 0.00 H new ATOM 0 HD2 TYR A 7 8.239 -5.377 2.942 1.00 0.00 H new ATOM 0 HE1 TYR A 7 3.404 -6.117 2.486 1.00 0.00 H new ATOM 0 HE2 TYR A 7 7.365 -6.599 1.001 1.00 0.00 H new ATOM 0 HH TYR A 7 5.588 -7.374 -0.045 1.00 0.00 H new ATOM 113 N GLN A 8 5.083 -5.728 7.307 1.00 0.00 N ATOM 114 CA GLN A 8 3.977 -6.593 7.637 1.00 0.00 C ATOM 115 C GLN A 8 2.676 -5.907 7.287 1.00 0.00 C ATOM 116 O GLN A 8 2.515 -4.702 7.483 1.00 0.00 O ATOM 117 CB GLN A 8 3.987 -6.969 9.111 1.00 0.00 C ATOM 118 CG GLN A 8 3.416 -8.352 9.373 1.00 0.00 C ATOM 119 CD GLN A 8 4.298 -9.464 8.828 1.00 0.00 C ATOM 120 OE1 GLN A 8 5.204 -9.945 9.506 1.00 0.00 O ATOM 121 NE2 GLN A 8 4.029 -9.893 7.603 1.00 0.00 N ATOM 0 H GLN A 8 5.036 -4.799 7.726 1.00 0.00 H new ATOM 0 HA GLN A 8 4.076 -7.511 7.058 1.00 0.00 H new ATOM 0 HB2 GLN A 8 5.010 -6.927 9.484 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.413 -6.232 9.672 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.287 -8.490 10.446 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.427 -8.424 8.921 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.269 -9.470 7.070 1.00 0.00 H new ATOM 0 HE22 GLN A 8 4.582 -10.646 7.194 1.00 0.00 H new ATOM 130 N ILE A 9 1.775 -6.686 6.749 1.00 0.00 N ATOM 131 CA ILE A 9 0.481 -6.203 6.331 1.00 0.00 C ATOM 132 C ILE A 9 -0.601 -6.620 7.313 1.00 0.00 C ATOM 133 O ILE A 9 -0.794 -7.807 7.574 1.00 0.00 O ATOM 134 CB ILE A 9 0.140 -6.725 4.926 1.00 0.00 C ATOM 135 CG1 ILE A 9 1.077 -6.074 3.906 1.00 0.00 C ATOM 136 CG2 ILE A 9 -1.319 -6.466 4.594 1.00 0.00 C ATOM 137 CD1 ILE A 9 0.747 -6.383 2.467 1.00 0.00 C ATOM 0 H ILE A 9 1.918 -7.683 6.586 1.00 0.00 H new ATOM 0 HA ILE A 9 0.524 -5.114 6.306 1.00 0.00 H new ATOM 0 HB ILE A 9 0.286 -7.805 4.893 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.053 -4.993 4.047 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.097 -6.399 4.109 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.537 -6.844 3.595 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.953 -6.974 5.321 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.515 -5.394 4.628 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.461 -5.881 1.814 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.801 -7.459 2.304 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.260 -6.032 2.241 1.00 0.00 H new ATOM 149 N GLU A 10 -1.296 -5.630 7.846 1.00 0.00 N ATOM 150 CA GLU A 10 -2.357 -5.858 8.803 1.00 0.00 C ATOM 151 C GLU A 10 -3.686 -5.395 8.222 1.00 0.00 C ATOM 152 O GLU A 10 -3.725 -4.604 7.272 1.00 0.00 O ATOM 153 CB GLU A 10 -2.056 -5.096 10.096 1.00 0.00 C ATOM 154 CG GLU A 10 -2.295 -3.596 9.999 1.00 0.00 C ATOM 155 CD GLU A 10 -2.000 -2.869 11.293 1.00 0.00 C ATOM 156 OE1 GLU A 10 -2.856 -2.897 12.200 1.00 0.00 O ATOM 157 OE2 GLU A 10 -0.916 -2.260 11.410 1.00 0.00 O ATOM 0 H GLU A 10 -1.138 -4.647 7.625 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.420 -6.924 9.023 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.674 -5.501 10.897 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.017 -5.271 10.376 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.671 -3.184 9.206 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.332 -3.416 9.715 1.00 0.00 H new ATOM 164 N GLN A 11 -4.775 -5.893 8.777 1.00 0.00 N ATOM 165 CA GLN A 11 -6.091 -5.463 8.360 1.00 0.00 C ATOM 166 C GLN A 11 -6.502 -4.218 9.125 1.00 0.00 C ATOM 167 O GLN A 11 -6.504 -4.190 10.355 1.00 0.00 O ATOM 168 CB GLN A 11 -7.113 -6.589 8.541 1.00 0.00 C ATOM 169 CG GLN A 11 -8.558 -6.158 8.314 1.00 0.00 C ATOM 170 CD GLN A 11 -8.746 -5.376 7.026 1.00 0.00 C ATOM 171 OE1 GLN A 11 -9.598 -4.500 6.938 1.00 0.00 O ATOM 172 NE2 GLN A 11 -7.954 -5.684 6.020 1.00 0.00 N ATOM 0 H GLN A 11 -4.772 -6.595 9.517 1.00 0.00 H new ATOM 0 HA GLN A 11 -6.058 -5.215 7.299 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.873 -7.398 7.851 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -7.019 -6.992 9.549 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.196 -7.041 8.293 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.886 -5.547 9.155 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.255 -6.419 6.128 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.039 -5.187 5.133 1.00 0.00 H new ATOM 181 N LEU A 12 -6.833 -3.191 8.356 1.00 0.00 N ATOM 182 CA LEU A 12 -7.209 -1.893 8.889 1.00 0.00 C ATOM 183 C LEU A 12 -8.489 -2.000 9.715 1.00 0.00 C ATOM 184 O LEU A 12 -8.564 -1.497 10.836 1.00 0.00 O ATOM 185 CB LEU A 12 -7.420 -0.937 7.720 1.00 0.00 C ATOM 186 CG LEU A 12 -7.165 0.548 7.978 1.00 0.00 C ATOM 187 CD1 LEU A 12 -6.762 0.814 9.421 1.00 0.00 C ATOM 188 CD2 LEU A 12 -6.088 1.047 7.032 1.00 0.00 C ATOM 0 H LEU A 12 -6.848 -3.237 7.337 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.419 -1.522 9.542 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.772 -1.254 6.903 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.447 -1.048 7.374 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.095 1.087 7.798 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.591 1.881 9.560 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.559 0.485 10.088 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.848 0.267 9.650 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.905 2.106 7.215 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.169 0.486 7.199 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.416 0.908 6.002 1.00 0.00 H new ATOM 200 N GLY A 13 -9.488 -2.660 9.151 1.00 0.00 N ATOM 201 CA GLY A 13 -10.750 -2.824 9.835 1.00 0.00 C ATOM 202 C GLY A 13 -11.610 -3.877 9.174 1.00 0.00 C ATOM 203 O GLY A 13 -11.758 -4.984 9.692 1.00 0.00 O ATOM 0 H GLY A 13 -9.445 -3.087 8.226 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.568 -3.102 10.873 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.283 -1.874 9.848 1.00 0.00 H new ATOM 207 N ASP A 14 -12.161 -3.540 8.018 1.00 0.00 N ATOM 208 CA ASP A 14 -12.998 -4.468 7.268 1.00 0.00 C ATOM 209 C ASP A 14 -12.545 -4.583 5.820 1.00 0.00 C ATOM 210 O ASP A 14 -12.356 -5.688 5.308 1.00 0.00 O ATOM 211 CB ASP A 14 -14.459 -4.026 7.309 1.00 0.00 C ATOM 212 CG ASP A 14 -15.335 -4.867 6.401 1.00 0.00 C ATOM 213 OD1 ASP A 14 -15.674 -6.008 6.782 1.00 0.00 O ATOM 214 OD2 ASP A 14 -15.676 -4.398 5.295 1.00 0.00 O ATOM 0 H ASP A 14 -12.044 -2.628 7.576 1.00 0.00 H new ATOM 0 HA ASP A 14 -12.900 -5.446 7.740 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -14.829 -4.093 8.332 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.529 -2.980 7.012 1.00 0.00 H new ATOM 219 N SER A 15 -12.349 -3.446 5.170 1.00 0.00 N ATOM 220 CA SER A 15 -12.070 -3.429 3.743 1.00 0.00 C ATOM 221 C SER A 15 -11.045 -2.354 3.401 1.00 0.00 C ATOM 222 O SER A 15 -11.162 -1.645 2.402 1.00 0.00 O ATOM 223 CB SER A 15 -13.371 -3.218 2.976 1.00 0.00 C ATOM 224 OG SER A 15 -14.320 -2.521 3.771 1.00 0.00 O ATOM 0 H SER A 15 -12.378 -2.525 5.607 1.00 0.00 H new ATOM 0 HA SER A 15 -11.641 -4.387 3.450 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.173 -2.656 2.063 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.781 -4.182 2.675 1.00 0.00 H new ATOM 0 HG SER A 15 -14.829 -3.162 4.310 1.00 0.00 H new ATOM 230 N ALA A 16 -10.040 -2.250 4.248 1.00 0.00 N ATOM 231 CA ALA A 16 -8.940 -1.330 4.045 1.00 0.00 C ATOM 232 C ALA A 16 -7.670 -1.993 4.543 1.00 0.00 C ATOM 233 O ALA A 16 -7.725 -2.850 5.424 1.00 0.00 O ATOM 234 CB ALA A 16 -9.195 -0.016 4.768 1.00 0.00 C ATOM 0 H ALA A 16 -9.964 -2.805 5.101 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.839 -1.096 2.985 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.356 0.660 4.602 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.109 0.439 4.385 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.303 -0.204 5.836 1.00 0.00 H new ATOM 240 N MET A 17 -6.533 -1.631 3.985 1.00 0.00 N ATOM 241 CA MET A 17 -5.291 -2.314 4.346 1.00 0.00 C ATOM 242 C MET A 17 -4.236 -1.367 4.915 1.00 0.00 C ATOM 243 O MET A 17 -4.009 -0.282 4.389 1.00 0.00 O ATOM 244 CB MET A 17 -4.755 -3.066 3.128 1.00 0.00 C ATOM 245 CG MET A 17 -3.370 -3.650 3.301 1.00 0.00 C ATOM 246 SD MET A 17 -3.048 -5.024 2.184 1.00 0.00 S ATOM 247 CE MET A 17 -3.284 -4.261 0.585 1.00 0.00 C ATOM 0 H MET A 17 -6.434 -0.886 3.295 1.00 0.00 H new ATOM 0 HA MET A 17 -5.519 -3.021 5.144 1.00 0.00 H new ATOM 0 HB2 MET A 17 -5.446 -3.873 2.884 1.00 0.00 H new ATOM 0 HB3 MET A 17 -4.744 -2.387 2.275 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.628 -2.869 3.133 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.249 -3.988 4.330 1.00 0.00 H new ATOM 0 HE1 MET A 17 -3.013 -4.968 -0.199 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.329 -3.974 0.469 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.654 -3.375 0.508 1.00 0.00 H new ATOM 257 N MET A 18 -3.594 -1.794 6.001 1.00 0.00 N ATOM 258 CA MET A 18 -2.520 -1.018 6.613 1.00 0.00 C ATOM 259 C MET A 18 -1.240 -1.844 6.666 1.00 0.00 C ATOM 260 O MET A 18 -1.253 -3.005 7.062 1.00 0.00 O ATOM 261 CB MET A 18 -2.915 -0.547 8.017 1.00 0.00 C ATOM 262 CG MET A 18 -1.787 0.122 8.788 1.00 0.00 C ATOM 263 SD MET A 18 -2.336 0.847 10.348 1.00 0.00 S ATOM 264 CE MET A 18 -3.359 2.193 9.758 1.00 0.00 C ATOM 0 H MET A 18 -3.800 -2.674 6.474 1.00 0.00 H new ATOM 0 HA MET A 18 -2.343 -0.134 6.000 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.748 0.151 7.933 1.00 0.00 H new ATOM 0 HB3 MET A 18 -3.273 -1.403 8.588 1.00 0.00 H new ATOM 0 HG2 MET A 18 -1.006 -0.611 8.989 1.00 0.00 H new ATOM 0 HG3 MET A 18 -1.342 0.900 8.168 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.960 3.140 10.122 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.363 2.196 8.668 1.00 0.00 H new ATOM 0 HE3 MET A 18 -4.377 2.063 10.124 1.00 0.00 H new ATOM 274 N ILE A 19 -0.143 -1.243 6.245 1.00 0.00 N ATOM 275 CA ILE A 19 1.133 -1.937 6.156 1.00 0.00 C ATOM 276 C ILE A 19 2.226 -1.133 6.846 1.00 0.00 C ATOM 277 O ILE A 19 2.224 0.089 6.784 1.00 0.00 O ATOM 278 CB ILE A 19 1.523 -2.139 4.679 1.00 0.00 C ATOM 279 CG1 ILE A 19 0.376 -2.775 3.907 1.00 0.00 C ATOM 280 CG2 ILE A 19 2.761 -3.007 4.562 1.00 0.00 C ATOM 281 CD1 ILE A 19 0.239 -2.243 2.500 1.00 0.00 C ATOM 0 H ILE A 19 -0.108 -0.265 5.956 1.00 0.00 H new ATOM 0 HA ILE A 19 1.029 -2.904 6.647 1.00 0.00 H new ATOM 0 HB ILE A 19 1.740 -1.160 4.253 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.527 -3.854 3.868 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.556 -2.603 4.446 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.017 -3.136 3.510 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.591 -2.529 5.082 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.566 -3.981 5.010 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.596 -2.737 2.004 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.058 -1.169 2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.157 -2.439 1.946 1.00 0.00 H new ATOM 293 N ARG A 20 3.152 -1.810 7.504 1.00 0.00 N ATOM 294 CA ARG A 20 4.304 -1.134 8.086 1.00 0.00 C ATOM 295 C ARG A 20 5.587 -1.779 7.581 1.00 0.00 C ATOM 296 O ARG A 20 5.745 -2.996 7.651 1.00 0.00 O ATOM 297 CB ARG A 20 4.255 -1.136 9.629 1.00 0.00 C ATOM 298 CG ARG A 20 4.719 -2.425 10.305 1.00 0.00 C ATOM 299 CD ARG A 20 3.714 -3.560 10.166 1.00 0.00 C ATOM 300 NE ARG A 20 2.469 -3.290 10.872 1.00 0.00 N ATOM 301 CZ ARG A 20 2.248 -3.616 12.151 1.00 0.00 C ATOM 302 NH1 ARG A 20 3.178 -4.254 12.850 1.00 0.00 N ATOM 303 NH2 ARG A 20 1.091 -3.321 12.725 1.00 0.00 N ATOM 0 H ARG A 20 3.132 -2.819 7.649 1.00 0.00 H new ATOM 0 HA ARG A 20 4.280 -0.091 7.771 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.870 -0.314 9.995 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.231 -0.932 9.942 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.671 -2.734 9.873 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.897 -2.231 11.363 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.501 -3.725 9.110 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.154 -4.480 10.550 1.00 0.00 H new ATOM 0 HE ARG A 20 1.720 -2.824 10.360 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.067 -4.498 12.413 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.004 -4.500 13.825 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.364 -2.844 12.192 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.927 -3.571 13.700 1.00 0.00 H new ATOM 317 N PHE A 21 6.481 -0.967 7.036 1.00 0.00 N ATOM 318 CA PHE A 21 7.746 -1.471 6.526 1.00 0.00 C ATOM 319 C PHE A 21 8.859 -1.153 7.511 1.00 0.00 C ATOM 320 O PHE A 21 8.611 -0.885 8.686 1.00 0.00 O ATOM 321 CB PHE A 21 8.119 -0.842 5.173 1.00 0.00 C ATOM 322 CG PHE A 21 7.052 -0.860 4.113 1.00 0.00 C ATOM 323 CD1 PHE A 21 5.918 -0.079 4.232 1.00 0.00 C ATOM 324 CD2 PHE A 21 7.209 -1.632 2.972 1.00 0.00 C ATOM 325 CE1 PHE A 21 4.961 -0.066 3.243 1.00 0.00 C ATOM 326 CE2 PHE A 21 6.249 -1.628 1.979 1.00 0.00 C ATOM 327 CZ PHE A 21 5.123 -0.844 2.116 1.00 0.00 C ATOM 0 H PHE A 21 6.354 0.040 6.936 1.00 0.00 H new ATOM 0 HA PHE A 21 7.629 -2.547 6.393 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.412 0.194 5.346 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.996 -1.360 4.785 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.781 0.530 5.114 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.092 -2.243 2.858 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.083 0.554 3.350 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.380 -2.238 1.097 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.370 -0.839 1.342 1.00 0.00 H new ATOM 422 N GLN A 28 15.473 2.578 3.353 1.00 0.00 N ATOM 423 CA GLN A 28 14.619 1.937 2.351 1.00 0.00 C ATOM 424 C GLN A 28 13.142 2.218 2.608 1.00 0.00 C ATOM 425 O GLN A 28 12.416 2.631 1.707 1.00 0.00 O ATOM 426 CB GLN A 28 14.847 0.432 2.347 1.00 0.00 C ATOM 427 CG GLN A 28 14.246 -0.234 1.132 1.00 0.00 C ATOM 428 CD GLN A 28 14.454 -1.735 1.111 1.00 0.00 C ATOM 429 OE1 GLN A 28 15.427 -2.253 1.663 1.00 0.00 O ATOM 430 NE2 GLN A 28 13.536 -2.445 0.478 1.00 0.00 N ATOM 0 HA GLN A 28 14.888 2.355 1.381 1.00 0.00 H new ATOM 0 HB2 GLN A 28 15.917 0.229 2.378 1.00 0.00 H new ATOM 0 HB3 GLN A 28 14.414 -0.002 3.248 1.00 0.00 H new ATOM 0 HG2 GLN A 28 13.177 -0.021 1.100 1.00 0.00 H new ATOM 0 HG3 GLN A 28 14.685 0.200 0.233 1.00 0.00 H new ATOM 0 HE21 GLN A 28 12.746 -1.977 0.034 1.00 0.00 H new ATOM 0 HE22 GLN A 28 13.618 -3.461 0.433 1.00 0.00 H new ATOM 439 N VAL A 29 12.706 2.000 3.842 1.00 0.00 N ATOM 440 CA VAL A 29 11.306 2.200 4.195 1.00 0.00 C ATOM 441 C VAL A 29 10.917 3.659 4.048 1.00 0.00 C ATOM 442 O VAL A 29 9.916 3.979 3.423 1.00 0.00 O ATOM 443 CB VAL A 29 10.994 1.731 5.637 1.00 0.00 C ATOM 444 CG1 VAL A 29 11.972 2.312 6.649 1.00 0.00 C ATOM 445 CG2 VAL A 29 9.566 2.095 6.018 1.00 0.00 C ATOM 0 H VAL A 29 13.298 1.686 4.612 1.00 0.00 H new ATOM 0 HA VAL A 29 10.721 1.592 3.505 1.00 0.00 H new ATOM 0 HB VAL A 29 11.105 0.647 5.656 1.00 0.00 H new ATOM 0 HG11 VAL A 29 11.716 1.957 7.647 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.985 1.995 6.400 1.00 0.00 H new ATOM 0 HG13 VAL A 29 11.916 3.400 6.626 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.364 1.758 7.035 1.00 0.00 H new ATOM 0 HG22 VAL A 29 9.439 3.176 5.962 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.872 1.612 5.331 1.00 0.00 H new ATOM 455 N ASN A 30 11.748 4.519 4.599 1.00 0.00 N ATOM 456 CA ASN A 30 11.493 5.949 4.638 1.00 0.00 C ATOM 457 C ASN A 30 11.235 6.505 3.240 1.00 0.00 C ATOM 458 O ASN A 30 10.311 7.295 3.033 1.00 0.00 O ATOM 459 CB ASN A 30 12.693 6.633 5.294 1.00 0.00 C ATOM 460 CG ASN A 30 12.634 8.143 5.261 1.00 0.00 C ATOM 461 OD1 ASN A 30 11.565 8.752 5.297 1.00 0.00 O ATOM 462 ND2 ASN A 30 13.800 8.755 5.206 1.00 0.00 N ATOM 0 H ASN A 30 12.628 4.246 5.037 1.00 0.00 H new ATOM 0 HA ASN A 30 10.594 6.145 5.222 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.763 6.305 6.331 1.00 0.00 H new ATOM 0 HB3 ASN A 30 13.604 6.304 4.794 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.841 9.774 5.192 1.00 0.00 H new ATOM 0 HD22 ASN A 30 14.661 8.210 5.178 1.00 0.00 H new ATOM 469 N GLY A 31 12.029 6.064 2.276 1.00 0.00 N ATOM 470 CA GLY A 31 11.856 6.533 0.922 1.00 0.00 C ATOM 471 C GLY A 31 10.776 5.774 0.178 1.00 0.00 C ATOM 472 O GLY A 31 9.981 6.367 -0.554 1.00 0.00 O ATOM 0 H GLY A 31 12.786 5.393 2.408 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.605 7.594 0.938 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.799 6.437 0.384 1.00 0.00 H new ATOM 476 N ILE A 32 10.713 4.464 0.390 1.00 0.00 N ATOM 477 CA ILE A 32 9.840 3.622 -0.409 1.00 0.00 C ATOM 478 C ILE A 32 8.403 3.629 0.093 1.00 0.00 C ATOM 479 O ILE A 32 7.498 3.330 -0.664 1.00 0.00 O ATOM 480 CB ILE A 32 10.375 2.171 -0.525 1.00 0.00 C ATOM 481 CG1 ILE A 32 10.451 1.765 -2.004 1.00 0.00 C ATOM 482 CG2 ILE A 32 9.529 1.178 0.269 1.00 0.00 C ATOM 483 CD1 ILE A 32 9.109 1.731 -2.730 1.00 0.00 C ATOM 0 H ILE A 32 11.251 3.969 1.101 1.00 0.00 H new ATOM 0 HA ILE A 32 9.838 4.058 -1.408 1.00 0.00 H new ATOM 0 HB ILE A 32 11.375 2.146 -0.091 1.00 0.00 H new ATOM 0 HG12 ILE A 32 11.111 2.460 -2.523 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.910 0.779 -2.072 1.00 0.00 H new ATOM 0 HG21 ILE A 32 9.943 0.176 0.157 1.00 0.00 H new ATOM 0 HG22 ILE A 32 9.534 1.457 1.323 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.505 1.192 -0.105 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.264 1.434 -3.767 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.449 1.014 -2.242 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.654 2.721 -2.700 1.00 0.00 H new ATOM 495 N VAL A 33 8.167 3.984 1.346 1.00 0.00 N ATOM 496 CA VAL A 33 6.797 4.083 1.823 1.00 0.00 C ATOM 497 C VAL A 33 6.147 5.314 1.204 1.00 0.00 C ATOM 498 O VAL A 33 4.944 5.345 0.949 1.00 0.00 O ATOM 499 CB VAL A 33 6.720 4.150 3.358 1.00 0.00 C ATOM 500 CG1 VAL A 33 7.340 5.429 3.869 1.00 0.00 C ATOM 501 CG2 VAL A 33 5.286 4.013 3.837 1.00 0.00 C ATOM 0 H VAL A 33 8.886 4.203 2.036 1.00 0.00 H new ATOM 0 HA VAL A 33 6.262 3.183 1.520 1.00 0.00 H new ATOM 0 HB VAL A 33 7.289 3.312 3.762 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.275 5.456 4.957 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.386 5.472 3.567 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.807 6.284 3.452 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.260 4.064 4.926 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.685 4.822 3.421 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.883 3.055 3.508 1.00 0.00 H new ATOM 511 N HIS A 34 6.975 6.317 0.940 1.00 0.00 N ATOM 512 CA HIS A 34 6.541 7.522 0.262 1.00 0.00 C ATOM 513 C HIS A 34 6.366 7.227 -1.221 1.00 0.00 C ATOM 514 O HIS A 34 5.425 7.698 -1.855 1.00 0.00 O ATOM 515 CB HIS A 34 7.572 8.637 0.470 1.00 0.00 C ATOM 516 CG HIS A 34 7.199 9.939 -0.170 1.00 0.00 C ATOM 517 ND1 HIS A 34 7.868 10.461 -1.253 1.00 0.00 N ATOM 518 CD2 HIS A 34 6.236 10.837 0.144 1.00 0.00 C ATOM 519 CE1 HIS A 34 7.332 11.622 -1.581 1.00 0.00 C ATOM 520 NE2 HIS A 34 6.340 11.872 -0.749 1.00 0.00 N ATOM 0 H HIS A 34 7.964 6.314 1.191 1.00 0.00 H new ATOM 0 HA HIS A 34 5.588 7.853 0.674 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.709 8.796 1.540 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.532 8.309 0.071 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.520 10.754 0.948 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.652 12.259 -2.393 1.00 0.00 H new ATOM 0 HE2 HIS A 34 5.746 12.701 -0.767 1.00 0.00 H new ATOM 529 N ALA A 35 7.270 6.417 -1.755 1.00 0.00 N ATOM 530 CA ALA A 35 7.228 6.044 -3.160 1.00 0.00 C ATOM 531 C ALA A 35 6.172 4.971 -3.409 1.00 0.00 C ATOM 532 O ALA A 35 5.719 4.795 -4.532 1.00 0.00 O ATOM 533 CB ALA A 35 8.598 5.567 -3.622 1.00 0.00 C ATOM 0 H ALA A 35 8.044 6.005 -1.233 1.00 0.00 H new ATOM 0 HA ALA A 35 6.953 6.926 -3.739 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.551 5.291 -4.675 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.326 6.367 -3.488 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.899 4.701 -3.033 1.00 0.00 H new ATOM 539 N ALA A 36 5.786 4.257 -2.353 1.00 0.00 N ATOM 540 CA ALA A 36 4.783 3.200 -2.453 1.00 0.00 C ATOM 541 C ALA A 36 3.412 3.781 -2.741 1.00 0.00 C ATOM 542 O ALA A 36 2.570 3.134 -3.362 1.00 0.00 O ATOM 543 CB ALA A 36 4.729 2.372 -1.177 1.00 0.00 C ATOM 0 H ALA A 36 6.156 4.393 -1.412 1.00 0.00 H new ATOM 0 HA ALA A 36 5.074 2.551 -3.279 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.974 1.593 -1.280 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.702 1.913 -1.000 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.473 3.016 -0.336 1.00 0.00 H new ATOM 549 N ALA A 37 3.200 5.013 -2.295 1.00 0.00 N ATOM 550 CA ALA A 37 1.953 5.700 -2.544 1.00 0.00 C ATOM 551 C ALA A 37 1.796 5.881 -4.039 1.00 0.00 C ATOM 552 O ALA A 37 0.729 5.650 -4.605 1.00 0.00 O ATOM 553 CB ALA A 37 1.937 7.042 -1.833 1.00 0.00 C ATOM 0 H ALA A 37 3.880 5.552 -1.759 1.00 0.00 H new ATOM 0 HA ALA A 37 1.120 5.113 -2.158 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.991 7.547 -2.030 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.048 6.887 -0.760 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.760 7.657 -2.198 1.00 0.00 H new ATOM 559 N ALA A 38 2.897 6.255 -4.671 1.00 0.00 N ATOM 560 CA ALA A 38 2.934 6.407 -6.108 1.00 0.00 C ATOM 561 C ALA A 38 3.069 5.053 -6.800 1.00 0.00 C ATOM 562 O ALA A 38 2.569 4.862 -7.905 1.00 0.00 O ATOM 563 CB ALA A 38 4.068 7.329 -6.521 1.00 0.00 C ATOM 0 H ALA A 38 3.780 6.459 -4.203 1.00 0.00 H new ATOM 0 HA ALA A 38 1.991 6.855 -6.421 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.078 7.430 -7.606 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.924 8.309 -6.067 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.017 6.911 -6.187 1.00 0.00 H new ATOM 569 N TYR A 39 3.738 4.114 -6.136 1.00 0.00 N ATOM 570 CA TYR A 39 3.948 2.775 -6.680 1.00 0.00 C ATOM 571 C TYR A 39 2.608 2.145 -7.059 1.00 0.00 C ATOM 572 O TYR A 39 2.450 1.571 -8.138 1.00 0.00 O ATOM 573 CB TYR A 39 4.662 1.884 -5.654 1.00 0.00 C ATOM 574 CG TYR A 39 5.484 0.772 -6.274 1.00 0.00 C ATOM 575 CD1 TYR A 39 4.958 -0.041 -7.269 1.00 0.00 C ATOM 576 CD2 TYR A 39 6.791 0.541 -5.863 1.00 0.00 C ATOM 577 CE1 TYR A 39 5.710 -1.046 -7.840 1.00 0.00 C ATOM 578 CE2 TYR A 39 7.549 -0.466 -6.428 1.00 0.00 C ATOM 579 CZ TYR A 39 7.003 -1.254 -7.417 1.00 0.00 C ATOM 580 OH TYR A 39 7.752 -2.259 -7.987 1.00 0.00 O ATOM 0 H TYR A 39 4.147 4.258 -5.213 1.00 0.00 H new ATOM 0 HA TYR A 39 4.571 2.860 -7.570 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.314 2.505 -5.039 1.00 0.00 H new ATOM 0 HB3 TYR A 39 3.919 1.445 -4.988 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.943 0.116 -7.601 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.221 1.159 -5.089 1.00 0.00 H new ATOM 0 HE1 TYR A 39 5.286 -1.667 -8.615 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.563 -0.634 -6.097 1.00 0.00 H new ATOM 0 HH TYR A 39 8.643 -2.274 -7.579 1.00 0.00 H new ATOM 590 N ILE A 40 1.641 2.285 -6.162 1.00 0.00 N ATOM 591 CA ILE A 40 0.337 1.671 -6.330 1.00 0.00 C ATOM 592 C ILE A 40 -0.545 2.474 -7.283 1.00 0.00 C ATOM 593 O ILE A 40 -1.370 1.912 -7.988 1.00 0.00 O ATOM 594 CB ILE A 40 -0.363 1.527 -4.965 1.00 0.00 C ATOM 595 CG1 ILE A 40 0.494 0.677 -4.035 1.00 0.00 C ATOM 596 CG2 ILE A 40 -1.749 0.909 -5.118 1.00 0.00 C ATOM 597 CD1 ILE A 40 0.167 0.889 -2.578 1.00 0.00 C ATOM 0 H ILE A 40 1.741 2.825 -5.303 1.00 0.00 H new ATOM 0 HA ILE A 40 0.491 0.684 -6.766 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.486 2.521 -4.535 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.357 -0.375 -4.284 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.545 0.910 -4.204 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.218 0.820 -4.138 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.362 1.544 -5.757 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.659 -0.080 -5.568 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.810 0.257 -1.965 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.331 1.934 -2.317 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.876 0.629 -2.398 1.00 0.00 H new ATOM 609 N GLU A 41 -0.364 3.787 -7.324 1.00 0.00 N ATOM 610 CA GLU A 41 -1.210 4.620 -8.171 1.00 0.00 C ATOM 611 C GLU A 41 -0.793 4.497 -9.636 1.00 0.00 C ATOM 612 O GLU A 41 -1.600 4.708 -10.542 1.00 0.00 O ATOM 613 CB GLU A 41 -1.177 6.084 -7.725 1.00 0.00 C ATOM 614 CG GLU A 41 0.133 6.795 -8.014 1.00 0.00 C ATOM 615 CD GLU A 41 0.049 8.283 -7.767 1.00 0.00 C ATOM 616 OE1 GLU A 41 0.295 8.721 -6.628 1.00 0.00 O ATOM 617 OE2 GLU A 41 -0.266 9.026 -8.719 1.00 0.00 O ATOM 0 H GLU A 41 0.346 4.291 -6.793 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.235 4.263 -8.070 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.986 6.621 -8.221 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.373 6.130 -6.654 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.919 6.370 -7.390 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.418 6.617 -9.051 1.00 0.00 H new ATOM 624 N GLU A 42 0.466 4.144 -9.860 1.00 0.00 N ATOM 625 CA GLU A 42 0.972 3.941 -11.209 1.00 0.00 C ATOM 626 C GLU A 42 0.616 2.546 -11.705 1.00 0.00 C ATOM 627 O GLU A 42 0.461 2.320 -12.905 1.00 0.00 O ATOM 628 CB GLU A 42 2.487 4.142 -11.248 1.00 0.00 C ATOM 629 CG GLU A 42 2.930 5.550 -10.886 1.00 0.00 C ATOM 630 CD GLU A 42 2.495 6.584 -11.901 1.00 0.00 C ATOM 631 OE1 GLU A 42 3.264 6.842 -12.850 1.00 0.00 O ATOM 632 OE2 GLU A 42 1.395 7.160 -11.750 1.00 0.00 O ATOM 0 H GLU A 42 1.155 3.992 -9.124 1.00 0.00 H new ATOM 0 HA GLU A 42 0.506 4.676 -11.865 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.955 3.436 -10.562 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.850 3.903 -12.248 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.523 5.813 -9.910 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.016 5.572 -10.796 1.00 0.00 H new ATOM 639 N GLN A 43 0.478 1.614 -10.769 1.00 0.00 N ATOM 640 CA GLN A 43 0.092 0.244 -11.092 1.00 0.00 C ATOM 641 C GLN A 43 -1.037 -0.217 -10.174 1.00 0.00 C ATOM 642 O GLN A 43 -0.834 -1.057 -9.299 1.00 0.00 O ATOM 643 CB GLN A 43 1.294 -0.692 -10.966 1.00 0.00 C ATOM 644 CG GLN A 43 2.332 -0.482 -12.049 1.00 0.00 C ATOM 645 CD GLN A 43 3.630 -1.212 -11.764 1.00 0.00 C ATOM 646 OE1 GLN A 43 3.806 -2.369 -12.150 1.00 0.00 O ATOM 647 NE2 GLN A 43 4.550 -0.545 -11.086 1.00 0.00 N ATOM 0 H GLN A 43 0.629 1.783 -9.774 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.262 0.216 -12.122 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.760 -0.544 -9.992 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.947 -1.725 -11.000 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.930 -0.823 -13.003 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.534 0.584 -12.151 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.367 0.412 -10.784 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.442 -0.988 -10.866 1.00 0.00 H new ATOM 656 N PRO A 44 -2.244 0.341 -10.359 1.00 0.00 N ATOM 657 CA PRO A 44 -3.378 0.106 -9.479 1.00 0.00 C ATOM 658 C PRO A 44 -4.364 -0.931 -10.007 1.00 0.00 C ATOM 659 O PRO A 44 -4.167 -1.536 -11.066 1.00 0.00 O ATOM 660 CB PRO A 44 -4.034 1.484 -9.472 1.00 0.00 C ATOM 661 CG PRO A 44 -3.769 2.051 -10.837 1.00 0.00 C ATOM 662 CD PRO A 44 -2.610 1.275 -11.431 1.00 0.00 C ATOM 0 HA PRO A 44 -3.074 -0.288 -8.509 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.104 1.410 -9.277 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.611 2.118 -8.693 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.654 1.963 -11.468 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.528 3.112 -10.772 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.902 0.749 -12.340 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.780 1.930 -11.694 1.00 0.00 H new ATOM 670 N PHE A 45 -5.423 -1.128 -9.238 1.00 0.00 N ATOM 671 CA PHE A 45 -6.551 -1.938 -9.642 1.00 0.00 C ATOM 672 C PHE A 45 -7.784 -1.052 -9.742 1.00 0.00 C ATOM 673 O PHE A 45 -7.885 -0.066 -9.014 1.00 0.00 O ATOM 674 CB PHE A 45 -6.788 -3.078 -8.649 1.00 0.00 C ATOM 675 CG PHE A 45 -6.590 -2.676 -7.214 1.00 0.00 C ATOM 676 CD1 PHE A 45 -7.606 -2.063 -6.509 1.00 0.00 C ATOM 677 CD2 PHE A 45 -5.384 -2.912 -6.574 1.00 0.00 C ATOM 678 CE1 PHE A 45 -7.429 -1.690 -5.193 1.00 0.00 C ATOM 679 CE2 PHE A 45 -5.197 -2.540 -5.258 1.00 0.00 C ATOM 680 CZ PHE A 45 -6.222 -1.927 -4.566 1.00 0.00 C ATOM 0 H PHE A 45 -5.520 -0.724 -8.307 1.00 0.00 H new ATOM 0 HA PHE A 45 -6.342 -2.386 -10.614 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.803 -3.454 -8.776 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.112 -3.900 -8.884 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -8.552 -1.873 -6.994 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.580 -3.393 -7.112 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -8.234 -1.213 -4.653 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.251 -2.728 -4.771 1.00 0.00 H new ATOM 0 HZ PHE A 45 -6.080 -1.633 -3.536 1.00 0.00 H new ATOM 690 N PRO A 46 -8.698 -1.362 -10.667 1.00 0.00 N ATOM 691 CA PRO A 46 -9.882 -0.540 -10.961 1.00 0.00 C ATOM 692 C PRO A 46 -10.555 0.101 -9.733 1.00 0.00 C ATOM 693 O PRO A 46 -10.980 1.260 -9.789 1.00 0.00 O ATOM 694 CB PRO A 46 -10.818 -1.547 -11.612 1.00 0.00 C ATOM 695 CG PRO A 46 -9.916 -2.481 -12.337 1.00 0.00 C ATOM 696 CD PRO A 46 -8.649 -2.563 -11.527 1.00 0.00 C ATOM 0 HA PRO A 46 -9.617 0.323 -11.572 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -11.416 -2.072 -10.867 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -11.514 -1.058 -12.294 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.376 -3.464 -12.439 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -9.710 -2.119 -13.344 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.612 -3.477 -10.935 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.766 -2.561 -12.166 1.00 0.00 H new ATOM 704 N GLY A 47 -10.633 -0.635 -8.630 1.00 0.00 N ATOM 705 CA GLY A 47 -11.360 -0.162 -7.464 1.00 0.00 C ATOM 706 C GLY A 47 -10.467 0.489 -6.432 1.00 0.00 C ATOM 707 O GLY A 47 -10.872 0.689 -5.290 1.00 0.00 O ATOM 0 H GLY A 47 -10.204 -1.554 -8.521 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.119 0.553 -7.782 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.884 -1.000 -7.005 1.00 0.00 H new ATOM 711 N PHE A 48 -9.245 0.795 -6.824 1.00 0.00 N ATOM 712 CA PHE A 48 -8.318 1.509 -5.955 1.00 0.00 C ATOM 713 C PHE A 48 -8.893 2.864 -5.546 1.00 0.00 C ATOM 714 O PHE A 48 -9.399 3.617 -6.379 1.00 0.00 O ATOM 715 CB PHE A 48 -6.970 1.676 -6.668 1.00 0.00 C ATOM 716 CG PHE A 48 -6.075 2.729 -6.075 1.00 0.00 C ATOM 717 CD1 PHE A 48 -5.430 2.518 -4.868 1.00 0.00 C ATOM 718 CD2 PHE A 48 -5.874 3.929 -6.739 1.00 0.00 C ATOM 719 CE1 PHE A 48 -4.602 3.489 -4.335 1.00 0.00 C ATOM 720 CE2 PHE A 48 -5.051 4.900 -6.210 1.00 0.00 C ATOM 721 CZ PHE A 48 -4.414 4.680 -5.007 1.00 0.00 C ATOM 0 H PHE A 48 -8.866 0.561 -7.742 1.00 0.00 H new ATOM 0 HA PHE A 48 -8.165 0.929 -5.045 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.445 0.721 -6.653 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.155 1.922 -7.714 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.575 1.588 -4.339 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.368 4.105 -7.683 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.103 3.316 -3.393 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.905 5.831 -6.737 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.768 5.439 -4.591 1.00 0.00 H new ATOM 731 N ILE A 49 -8.818 3.162 -4.255 1.00 0.00 N ATOM 732 CA ILE A 49 -9.401 4.378 -3.711 1.00 0.00 C ATOM 733 C ILE A 49 -8.323 5.403 -3.367 1.00 0.00 C ATOM 734 O ILE A 49 -8.315 6.506 -3.913 1.00 0.00 O ATOM 735 CB ILE A 49 -10.240 4.061 -2.451 1.00 0.00 C ATOM 736 CG1 ILE A 49 -11.458 3.208 -2.819 1.00 0.00 C ATOM 737 CG2 ILE A 49 -10.675 5.327 -1.729 1.00 0.00 C ATOM 738 CD1 ILE A 49 -12.446 3.882 -3.746 1.00 0.00 C ATOM 0 H ILE A 49 -8.356 2.573 -3.563 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.050 4.803 -4.477 1.00 0.00 H new ATOM 0 HB ILE A 49 -9.606 3.495 -1.768 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -11.111 2.287 -3.288 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -11.976 2.924 -1.903 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -11.262 5.061 -0.850 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.795 5.891 -1.421 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -11.281 5.938 -2.398 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.274 3.203 -3.951 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -12.827 4.788 -3.275 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.949 4.141 -4.681 1.00 0.00 H new ATOM 750 N GLU A 50 -7.406 5.029 -2.479 1.00 0.00 N ATOM 751 CA GLU A 50 -6.405 5.966 -1.976 1.00 0.00 C ATOM 752 C GLU A 50 -5.256 5.216 -1.309 1.00 0.00 C ATOM 753 O GLU A 50 -5.406 4.067 -0.915 1.00 0.00 O ATOM 754 CB GLU A 50 -7.069 6.932 -0.982 1.00 0.00 C ATOM 755 CG GLU A 50 -6.145 8.004 -0.419 1.00 0.00 C ATOM 756 CD GLU A 50 -5.516 8.858 -1.500 1.00 0.00 C ATOM 757 OE1 GLU A 50 -6.124 9.873 -1.895 1.00 0.00 O ATOM 758 OE2 GLU A 50 -4.407 8.518 -1.959 1.00 0.00 O ATOM 0 H GLU A 50 -7.335 4.087 -2.094 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.994 6.535 -2.810 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.909 7.420 -1.477 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.479 6.354 -0.154 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.708 8.643 0.262 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.358 7.529 0.167 1.00 0.00 H new ATOM 765 N CYS A 51 -4.113 5.868 -1.198 1.00 0.00 N ATOM 766 CA CYS A 51 -2.967 5.304 -0.511 1.00 0.00 C ATOM 767 C CYS A 51 -2.135 6.421 0.100 1.00 0.00 C ATOM 768 O CYS A 51 -1.623 7.284 -0.610 1.00 0.00 O ATOM 769 CB CYS A 51 -2.116 4.461 -1.468 1.00 0.00 C ATOM 770 SG CYS A 51 -1.830 5.231 -3.081 1.00 0.00 S ATOM 0 H CYS A 51 -3.954 6.800 -1.580 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.323 4.649 0.284 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -1.153 4.259 -0.998 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.605 3.499 -1.619 1.00 0.00 H new ATOM 0 HG CYS A 51 -0.582 5.088 -3.415 1.00 0.00 H new ATOM 776 N ILE A 52 -2.017 6.410 1.415 1.00 0.00 N ATOM 777 CA ILE A 52 -1.289 7.459 2.113 1.00 0.00 C ATOM 778 C ILE A 52 -0.125 6.908 2.926 1.00 0.00 C ATOM 779 O ILE A 52 -0.269 5.931 3.662 1.00 0.00 O ATOM 780 CB ILE A 52 -2.220 8.284 3.020 1.00 0.00 C ATOM 781 CG1 ILE A 52 -3.212 7.372 3.749 1.00 0.00 C ATOM 782 CG2 ILE A 52 -2.947 9.327 2.189 1.00 0.00 C ATOM 783 CD1 ILE A 52 -4.054 8.089 4.783 1.00 0.00 C ATOM 0 H ILE A 52 -2.413 5.691 2.021 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.881 8.114 1.343 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.623 8.793 3.776 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.871 6.908 3.015 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.661 6.568 4.237 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.606 9.910 2.832 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.220 9.989 1.719 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.538 8.831 1.419 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.732 7.379 5.257 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.404 8.530 5.539 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.633 8.875 4.299 1.00 0.00 H new ATOM 795 N PRO A 53 1.054 7.526 2.774 1.00 0.00 N ATOM 796 CA PRO A 53 2.257 7.145 3.497 1.00 0.00 C ATOM 797 C PRO A 53 2.360 7.826 4.860 1.00 0.00 C ATOM 798 O PRO A 53 2.008 8.997 5.013 1.00 0.00 O ATOM 799 CB PRO A 53 3.372 7.620 2.569 1.00 0.00 C ATOM 800 CG PRO A 53 2.803 8.782 1.818 1.00 0.00 C ATOM 801 CD PRO A 53 1.299 8.662 1.870 1.00 0.00 C ATOM 0 HA PRO A 53 2.288 6.078 3.719 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.255 7.914 3.136 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.680 6.826 1.888 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.128 9.723 2.263 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.153 8.780 0.786 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.840 9.576 2.247 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.880 8.480 0.880 1.00 0.00 H new ATOM 809 N ALA A 54 2.849 7.090 5.843 1.00 0.00 N ATOM 810 CA ALA A 54 3.007 7.615 7.192 1.00 0.00 C ATOM 811 C ALA A 54 4.414 7.341 7.714 1.00 0.00 C ATOM 812 O ALA A 54 4.594 6.647 8.719 1.00 0.00 O ATOM 813 CB ALA A 54 1.960 7.017 8.120 1.00 0.00 C ATOM 0 H ALA A 54 3.146 6.120 5.733 1.00 0.00 H new ATOM 0 HA ALA A 54 2.862 8.695 7.162 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.092 7.419 9.124 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.964 7.269 7.756 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.073 5.933 8.146 1.00 0.00 H new ATOM 819 N PHE A 55 5.402 7.871 6.991 1.00 0.00 N ATOM 820 CA PHE A 55 6.821 7.803 7.361 1.00 0.00 C ATOM 821 C PHE A 55 7.390 6.384 7.253 1.00 0.00 C ATOM 822 O PHE A 55 8.403 6.170 6.591 1.00 0.00 O ATOM 823 CB PHE A 55 7.060 8.361 8.769 1.00 0.00 C ATOM 824 CG PHE A 55 8.518 8.539 9.093 1.00 0.00 C ATOM 825 CD1 PHE A 55 9.189 9.686 8.700 1.00 0.00 C ATOM 826 CD2 PHE A 55 9.216 7.561 9.782 1.00 0.00 C ATOM 827 CE1 PHE A 55 10.531 9.853 8.988 1.00 0.00 C ATOM 828 CE2 PHE A 55 10.556 7.723 10.073 1.00 0.00 C ATOM 829 CZ PHE A 55 11.215 8.869 9.675 1.00 0.00 C ATOM 0 H PHE A 55 5.238 8.369 6.116 1.00 0.00 H new ATOM 0 HA PHE A 55 7.352 8.426 6.641 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.553 9.321 8.864 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.611 7.690 9.501 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.658 10.458 8.163 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.706 6.662 10.095 1.00 0.00 H new ATOM 0 HE1 PHE A 55 11.043 10.751 8.676 1.00 0.00 H new ATOM 0 HE2 PHE A 55 11.089 6.953 10.612 1.00 0.00 H new ATOM 0 HZ PHE A 55 12.264 8.996 9.900 1.00 0.00 H new ATOM 839 N THR A 56 6.757 5.427 7.912 1.00 0.00 N ATOM 840 CA THR A 56 7.221 4.049 7.888 1.00 0.00 C ATOM 841 C THR A 56 6.078 3.088 7.571 1.00 0.00 C ATOM 842 O THR A 56 6.308 1.928 7.218 1.00 0.00 O ATOM 843 CB THR A 56 7.883 3.657 9.230 1.00 0.00 C ATOM 844 OG1 THR A 56 8.380 2.315 9.172 1.00 0.00 O ATOM 845 CG2 THR A 56 6.900 3.786 10.386 1.00 0.00 C ATOM 0 H THR A 56 5.918 5.580 8.472 1.00 0.00 H new ATOM 0 HA THR A 56 7.968 3.973 7.098 1.00 0.00 H new ATOM 0 HB THR A 56 8.714 4.342 9.400 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.788 1.771 8.612 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.393 3.504 11.316 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.555 4.817 10.457 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.047 3.129 10.214 1.00 0.00 H new ATOM 853 N SER A 57 4.851 3.571 7.691 1.00 0.00 N ATOM 854 CA SER A 57 3.683 2.748 7.429 1.00 0.00 C ATOM 855 C SER A 57 2.907 3.271 6.226 1.00 0.00 C ATOM 856 O SER A 57 2.916 4.465 5.939 1.00 0.00 O ATOM 857 CB SER A 57 2.796 2.706 8.675 1.00 0.00 C ATOM 858 OG SER A 57 2.711 3.987 9.280 1.00 0.00 O ATOM 0 H SER A 57 4.639 4.529 7.968 1.00 0.00 H new ATOM 0 HA SER A 57 4.010 1.735 7.193 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.798 2.360 8.404 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.199 1.988 9.389 1.00 0.00 H new ATOM 0 HG SER A 57 2.138 3.937 10.073 1.00 0.00 H new ATOM 864 N LEU A 58 2.254 2.369 5.517 1.00 0.00 N ATOM 865 CA LEU A 58 1.490 2.719 4.333 1.00 0.00 C ATOM 866 C LEU A 58 0.024 2.370 4.553 1.00 0.00 C ATOM 867 O LEU A 58 -0.309 1.240 4.912 1.00 0.00 O ATOM 868 CB LEU A 58 2.037 1.970 3.115 1.00 0.00 C ATOM 869 CG LEU A 58 1.375 2.306 1.775 1.00 0.00 C ATOM 870 CD1 LEU A 58 1.724 3.721 1.333 1.00 0.00 C ATOM 871 CD2 LEU A 58 1.794 1.299 0.718 1.00 0.00 C ATOM 0 H LEU A 58 2.238 1.375 5.745 1.00 0.00 H new ATOM 0 HA LEU A 58 1.578 3.790 4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.104 2.177 3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.932 0.900 3.293 1.00 0.00 H new ATOM 0 HG LEU A 58 0.294 2.252 1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.241 3.934 0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.376 4.432 2.082 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.804 3.811 1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.318 1.547 -0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.877 1.327 0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.488 0.299 1.027 1.00 0.00 H new ATOM 883 N THR A 59 -0.843 3.344 4.362 1.00 0.00 N ATOM 884 CA THR A 59 -2.265 3.144 4.565 1.00 0.00 C ATOM 885 C THR A 59 -2.980 3.059 3.216 1.00 0.00 C ATOM 886 O THR A 59 -3.121 4.062 2.516 1.00 0.00 O ATOM 887 CB THR A 59 -2.846 4.293 5.403 1.00 0.00 C ATOM 888 OG1 THR A 59 -1.921 4.633 6.448 1.00 0.00 O ATOM 889 CG2 THR A 59 -4.173 3.902 6.021 1.00 0.00 C ATOM 0 H THR A 59 -0.587 4.286 4.065 1.00 0.00 H new ATOM 0 HA THR A 59 -2.417 2.208 5.102 1.00 0.00 H new ATOM 0 HB THR A 59 -3.009 5.148 4.747 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.288 5.367 6.984 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.560 4.735 6.608 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.883 3.653 5.232 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.032 3.036 6.668 1.00 0.00 H new ATOM 897 N VAL A 60 -3.415 1.857 2.853 1.00 0.00 N ATOM 898 CA VAL A 60 -3.990 1.616 1.536 1.00 0.00 C ATOM 899 C VAL A 60 -5.504 1.463 1.608 1.00 0.00 C ATOM 900 O VAL A 60 -6.031 0.606 2.324 1.00 0.00 O ATOM 901 CB VAL A 60 -3.379 0.360 0.879 1.00 0.00 C ATOM 902 CG1 VAL A 60 -3.946 0.145 -0.515 1.00 0.00 C ATOM 903 CG2 VAL A 60 -1.865 0.474 0.831 1.00 0.00 C ATOM 0 H VAL A 60 -3.380 1.034 3.454 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.753 2.487 0.925 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.643 -0.506 1.485 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.499 -0.746 -0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.027 0.016 -0.452 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.719 1.011 -1.138 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.447 -0.419 0.365 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.584 1.352 0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.475 0.571 1.844 1.00 0.00 H new ATOM 913 N PHE A 61 -6.190 2.300 0.858 1.00 0.00 N ATOM 914 CA PHE A 61 -7.635 2.280 0.790 1.00 0.00 C ATOM 915 C PHE A 61 -8.080 1.850 -0.601 1.00 0.00 C ATOM 916 O PHE A 61 -7.422 2.151 -1.601 1.00 0.00 O ATOM 917 CB PHE A 61 -8.198 3.660 1.104 1.00 0.00 C ATOM 918 CG PHE A 61 -7.916 4.145 2.497 1.00 0.00 C ATOM 919 CD1 PHE A 61 -6.716 4.776 2.805 1.00 0.00 C ATOM 920 CD2 PHE A 61 -8.864 3.989 3.496 1.00 0.00 C ATOM 921 CE1 PHE A 61 -6.475 5.237 4.084 1.00 0.00 C ATOM 922 CE2 PHE A 61 -8.622 4.445 4.777 1.00 0.00 C ATOM 923 CZ PHE A 61 -7.427 5.071 5.071 1.00 0.00 C ATOM 0 H PHE A 61 -5.758 3.017 0.275 1.00 0.00 H new ATOM 0 HA PHE A 61 -8.011 1.569 1.526 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.787 4.377 0.393 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -9.277 3.642 0.951 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.967 4.907 2.038 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.803 3.505 3.270 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.541 5.728 4.313 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -9.367 4.312 5.548 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.237 5.430 6.072 1.00 0.00 H new ATOM 933 N TYR A 62 -9.207 1.172 -0.664 1.00 0.00 N ATOM 934 CA TYR A 62 -9.698 0.607 -1.908 1.00 0.00 C ATOM 935 C TYR A 62 -11.147 0.199 -1.748 1.00 0.00 C ATOM 936 O TYR A 62 -11.694 0.242 -0.647 1.00 0.00 O ATOM 937 CB TYR A 62 -8.853 -0.596 -2.328 1.00 0.00 C ATOM 938 CG TYR A 62 -8.455 -1.480 -1.176 1.00 0.00 C ATOM 939 CD1 TYR A 62 -9.395 -2.251 -0.506 1.00 0.00 C ATOM 940 CD2 TYR A 62 -7.138 -1.528 -0.744 1.00 0.00 C ATOM 941 CE1 TYR A 62 -9.028 -3.041 0.558 1.00 0.00 C ATOM 942 CE2 TYR A 62 -6.767 -2.323 0.319 1.00 0.00 C ATOM 943 CZ TYR A 62 -7.720 -3.076 0.964 1.00 0.00 C ATOM 944 OH TYR A 62 -7.368 -3.865 2.025 1.00 0.00 O ATOM 0 H TYR A 62 -9.808 0.996 0.141 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.623 1.364 -2.689 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.412 -1.187 -3.054 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.954 -0.241 -2.831 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -10.427 -2.230 -0.824 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -6.391 -0.933 -1.249 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.770 -3.633 1.073 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -5.737 -2.354 0.643 1.00 0.00 H new ATOM 0 HH TYR A 62 -8.107 -3.898 2.668 1.00 0.00 H new ATOM 954 N ASP A 63 -11.768 -0.172 -2.845 1.00 0.00 N ATOM 955 CA ASP A 63 -13.158 -0.546 -2.827 1.00 0.00 C ATOM 956 C ASP A 63 -13.290 -2.043 -3.010 1.00 0.00 C ATOM 957 O ASP A 63 -13.047 -2.584 -4.092 1.00 0.00 O ATOM 958 CB ASP A 63 -13.925 0.196 -3.909 1.00 0.00 C ATOM 959 CG ASP A 63 -15.325 0.542 -3.447 1.00 0.00 C ATOM 960 OD1 ASP A 63 -16.195 -0.350 -3.442 1.00 0.00 O ATOM 961 OD2 ASP A 63 -15.559 1.708 -3.064 1.00 0.00 O ATOM 0 H ASP A 63 -11.327 -0.222 -3.763 1.00 0.00 H new ATOM 0 HA ASP A 63 -13.584 -0.271 -1.862 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -13.391 1.108 -4.176 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -13.977 -0.418 -4.808 1.00 0.00 H new ATOM 966 N MET A 64 -13.665 -2.697 -1.930 1.00 0.00 N ATOM 967 CA MET A 64 -13.781 -4.147 -1.881 1.00 0.00 C ATOM 968 C MET A 64 -14.712 -4.678 -2.967 1.00 0.00 C ATOM 969 O MET A 64 -14.490 -5.764 -3.491 1.00 0.00 O ATOM 970 CB MET A 64 -14.267 -4.599 -0.496 1.00 0.00 C ATOM 971 CG MET A 64 -15.564 -3.941 -0.048 1.00 0.00 C ATOM 972 SD MET A 64 -15.362 -2.177 0.290 1.00 0.00 S ATOM 973 CE MET A 64 -17.059 -1.626 0.283 1.00 0.00 C ATOM 0 H MET A 64 -13.901 -2.236 -1.051 1.00 0.00 H new ATOM 0 HA MET A 64 -12.790 -4.561 -2.064 1.00 0.00 H new ATOM 0 HB2 MET A 64 -14.405 -5.680 -0.506 1.00 0.00 H new ATOM 0 HB3 MET A 64 -13.490 -4.384 0.238 1.00 0.00 H new ATOM 0 HG2 MET A 64 -16.322 -4.076 -0.820 1.00 0.00 H new ATOM 0 HG3 MET A 64 -15.930 -4.440 0.849 1.00 0.00 H new ATOM 0 HE1 MET A 64 -17.094 -0.554 0.478 1.00 0.00 H new ATOM 0 HE2 MET A 64 -17.505 -1.832 -0.690 1.00 0.00 H new ATOM 0 HE3 MET A 64 -17.616 -2.154 1.057 1.00 0.00 H new ATOM 983 N TYR A 65 -15.717 -3.896 -3.341 1.00 0.00 N ATOM 984 CA TYR A 65 -16.698 -4.335 -4.332 1.00 0.00 C ATOM 985 C TYR A 65 -16.021 -4.633 -5.668 1.00 0.00 C ATOM 986 O TYR A 65 -16.535 -5.395 -6.486 1.00 0.00 O ATOM 987 CB TYR A 65 -17.799 -3.271 -4.503 1.00 0.00 C ATOM 988 CG TYR A 65 -17.723 -2.479 -5.797 1.00 0.00 C ATOM 989 CD1 TYR A 65 -16.722 -1.540 -6.012 1.00 0.00 C ATOM 990 CD2 TYR A 65 -18.658 -2.677 -6.804 1.00 0.00 C ATOM 991 CE1 TYR A 65 -16.651 -0.825 -7.189 1.00 0.00 C ATOM 992 CE2 TYR A 65 -18.595 -1.964 -7.984 1.00 0.00 C ATOM 993 CZ TYR A 65 -17.590 -1.040 -8.171 1.00 0.00 C ATOM 994 OH TYR A 65 -17.522 -0.334 -9.344 1.00 0.00 O ATOM 0 H TYR A 65 -15.876 -2.957 -2.976 1.00 0.00 H new ATOM 0 HA TYR A 65 -17.160 -5.256 -3.976 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.771 -3.762 -4.450 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -17.747 -2.576 -3.665 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -15.985 -1.367 -5.242 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -19.447 -3.400 -6.662 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.864 -0.101 -7.339 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -19.330 -2.130 -8.758 1.00 0.00 H new ATOM 0 HH TYR A 65 -18.258 -0.605 -9.932 1.00 0.00 H new ATOM 1004 N GLU A 66 -14.861 -4.026 -5.883 1.00 0.00 N ATOM 1005 CA GLU A 66 -14.150 -4.184 -7.130 1.00 0.00 C ATOM 1006 C GLU A 66 -13.178 -5.338 -7.000 1.00 0.00 C ATOM 1007 O GLU A 66 -13.048 -6.160 -7.897 1.00 0.00 O ATOM 1008 CB GLU A 66 -13.422 -2.890 -7.495 1.00 0.00 C ATOM 1009 CG GLU A 66 -13.019 -2.791 -8.959 1.00 0.00 C ATOM 1010 CD GLU A 66 -11.905 -3.743 -9.340 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -10.798 -3.623 -8.774 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -12.137 -4.614 -10.204 1.00 0.00 O ATOM 0 H GLU A 66 -14.398 -3.421 -5.205 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.856 -4.403 -7.931 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.063 -2.044 -7.249 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.528 -2.803 -6.877 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.890 -2.994 -9.583 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.704 -1.770 -9.174 1.00 0.00 H new ATOM 1019 N VAL A 67 -12.515 -5.409 -5.856 1.00 0.00 N ATOM 1020 CA VAL A 67 -11.558 -6.469 -5.606 1.00 0.00 C ATOM 1021 C VAL A 67 -12.267 -7.822 -5.639 1.00 0.00 C ATOM 1022 O VAL A 67 -11.665 -8.822 -5.979 1.00 0.00 O ATOM 1023 CB VAL A 67 -10.811 -6.269 -4.268 1.00 0.00 C ATOM 1024 CG1 VAL A 67 -10.426 -4.808 -4.101 1.00 0.00 C ATOM 1025 CG2 VAL A 67 -11.633 -6.755 -3.090 1.00 0.00 C ATOM 0 H VAL A 67 -12.624 -4.745 -5.089 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.806 -6.440 -6.394 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.902 -6.871 -4.293 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.900 -4.676 -3.155 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.776 -4.507 -4.923 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.325 -4.192 -4.105 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.075 -6.598 -2.167 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.570 -6.200 -3.046 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.846 -7.817 -3.209 1.00 0.00 H new ATOM 1035 N TYR A 68 -13.557 -7.820 -5.292 1.00 0.00 N ATOM 1036 CA TYR A 68 -14.445 -8.970 -5.481 1.00 0.00 C ATOM 1037 C TYR A 68 -14.371 -9.512 -6.912 1.00 0.00 C ATOM 1038 O TYR A 68 -14.520 -10.712 -7.133 1.00 0.00 O ATOM 1039 CB TYR A 68 -15.897 -8.577 -5.161 1.00 0.00 C ATOM 1040 CG TYR A 68 -16.303 -8.752 -3.714 1.00 0.00 C ATOM 1041 CD1 TYR A 68 -15.533 -8.232 -2.689 1.00 0.00 C ATOM 1042 CD2 TYR A 68 -17.479 -9.414 -3.377 1.00 0.00 C ATOM 1043 CE1 TYR A 68 -15.913 -8.365 -1.371 1.00 0.00 C ATOM 1044 CE2 TYR A 68 -17.862 -9.556 -2.057 1.00 0.00 C ATOM 1045 CZ TYR A 68 -17.074 -9.028 -1.061 1.00 0.00 C ATOM 1046 OH TYR A 68 -17.450 -9.154 0.255 1.00 0.00 O ATOM 0 H TYR A 68 -14.018 -7.014 -4.869 1.00 0.00 H new ATOM 0 HA TYR A 68 -14.114 -9.754 -4.800 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -16.045 -7.534 -5.441 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -16.564 -9.172 -5.784 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -14.617 -7.712 -2.926 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -18.102 -9.823 -4.159 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -15.300 -7.949 -0.585 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -18.774 -10.078 -1.809 1.00 0.00 H new ATOM 0 HH TYR A 68 -18.295 -9.648 0.308 1.00 0.00 H new ATOM 1056 N LYS A 69 -14.142 -8.628 -7.880 1.00 0.00 N ATOM 1057 CA LYS A 69 -14.017 -9.030 -9.278 1.00 0.00 C ATOM 1058 C LYS A 69 -12.762 -9.868 -9.482 1.00 0.00 C ATOM 1059 O LYS A 69 -12.718 -10.751 -10.335 1.00 0.00 O ATOM 1060 CB LYS A 69 -13.958 -7.806 -10.190 1.00 0.00 C ATOM 1061 CG LYS A 69 -15.175 -7.636 -11.087 1.00 0.00 C ATOM 1062 CD LYS A 69 -16.357 -7.039 -10.343 1.00 0.00 C ATOM 1063 CE LYS A 69 -16.037 -5.640 -9.843 1.00 0.00 C ATOM 1064 NZ LYS A 69 -17.213 -4.989 -9.211 1.00 0.00 N ATOM 0 H LYS A 69 -14.039 -7.626 -7.721 1.00 0.00 H new ATOM 0 HA LYS A 69 -14.894 -9.624 -9.534 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -13.847 -6.913 -9.574 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.067 -7.875 -10.815 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.917 -6.994 -11.929 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -15.459 -8.604 -11.499 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -17.225 -7.004 -11.001 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -16.621 -7.678 -9.501 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -15.221 -5.691 -9.122 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -15.689 -5.029 -10.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -17.253 -3.990 -9.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -18.082 -5.472 -9.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -17.128 -5.048 -8.176 1.00 0.00 H new ATOM 1078 N HIS A 70 -11.748 -9.583 -8.682 1.00 0.00 N ATOM 1079 CA HIS A 70 -10.480 -10.288 -8.766 1.00 0.00 C ATOM 1080 C HIS A 70 -10.464 -11.460 -7.787 1.00 0.00 C ATOM 1081 O HIS A 70 -9.929 -12.520 -8.100 1.00 0.00 O ATOM 1082 CB HIS A 70 -9.317 -9.334 -8.460 1.00 0.00 C ATOM 1083 CG HIS A 70 -9.222 -8.163 -9.394 1.00 0.00 C ATOM 1084 ND1 HIS A 70 -9.566 -6.871 -9.034 1.00 0.00 N ATOM 1085 CD2 HIS A 70 -8.806 -8.087 -10.680 1.00 0.00 C ATOM 1086 CE1 HIS A 70 -9.367 -6.064 -10.058 1.00 0.00 C ATOM 1087 NE2 HIS A 70 -8.908 -6.774 -11.067 1.00 0.00 N ATOM 0 H HIS A 70 -11.780 -8.862 -7.961 1.00 0.00 H new ATOM 0 HA HIS A 70 -10.362 -10.671 -9.780 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -9.424 -8.964 -7.440 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.382 -9.893 -8.500 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -8.458 -8.908 -11.289 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -9.550 -5.000 -10.067 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -8.667 -6.408 -11.988 1.00 0.00 H new ATOM 1096 N LEU A 71 -11.067 -11.222 -6.614 1.00 0.00 N ATOM 1097 CA LEU A 71 -11.156 -12.165 -5.496 1.00 0.00 C ATOM 1098 C LEU A 71 -11.243 -13.621 -5.936 1.00 0.00 C ATOM 1099 O LEU A 71 -12.304 -14.111 -6.328 1.00 0.00 O ATOM 1100 CB LEU A 71 -12.354 -11.831 -4.596 1.00 0.00 C ATOM 1101 CG LEU A 71 -12.074 -10.819 -3.476 1.00 0.00 C ATOM 1102 CD1 LEU A 71 -13.327 -10.527 -2.685 1.00 0.00 C ATOM 1103 CD2 LEU A 71 -10.997 -11.334 -2.538 1.00 0.00 C ATOM 0 H LEU A 71 -11.523 -10.332 -6.413 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.226 -12.052 -4.939 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.159 -11.443 -5.220 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.717 -12.755 -4.146 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.728 -9.899 -3.947 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.101 -9.807 -1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -14.087 -10.113 -3.347 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -13.698 -11.449 -2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -10.816 -10.599 -1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.324 -12.272 -2.089 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -10.077 -11.501 -3.098 1.00 0.00 H new ATOM 1115 N PRO A 72 -10.105 -14.312 -5.887 1.00 0.00 N ATOM 1116 CA PRO A 72 -10.002 -15.745 -6.165 1.00 0.00 C ATOM 1117 C PRO A 72 -10.563 -16.559 -5.002 1.00 0.00 C ATOM 1118 O PRO A 72 -10.582 -16.097 -3.867 1.00 0.00 O ATOM 1119 CB PRO A 72 -8.484 -15.964 -6.311 1.00 0.00 C ATOM 1120 CG PRO A 72 -7.905 -14.588 -6.401 1.00 0.00 C ATOM 1121 CD PRO A 72 -8.801 -13.736 -5.577 1.00 0.00 C ATOM 0 HA PRO A 72 -10.564 -16.057 -7.045 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.079 -16.508 -5.458 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -8.253 -16.549 -7.201 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.883 -14.565 -6.024 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.871 -14.241 -7.434 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.566 -13.799 -4.515 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -8.739 -12.684 -5.856 1.00 0.00 H new ATOM 1129 N GLN A 73 -11.006 -17.775 -5.295 1.00 0.00 N ATOM 1130 CA GLN A 73 -11.735 -18.596 -4.328 1.00 0.00 C ATOM 1131 C GLN A 73 -10.875 -18.975 -3.120 1.00 0.00 C ATOM 1132 O GLN A 73 -11.400 -19.304 -2.055 1.00 0.00 O ATOM 1133 CB GLN A 73 -12.283 -19.853 -5.010 1.00 0.00 C ATOM 1134 CG GLN A 73 -13.181 -20.700 -4.120 1.00 0.00 C ATOM 1135 CD GLN A 73 -14.368 -19.922 -3.575 1.00 0.00 C ATOM 1136 OE1 GLN A 73 -15.431 -19.874 -4.188 1.00 0.00 O ATOM 1137 NE2 GLN A 73 -14.193 -19.314 -2.413 1.00 0.00 N ATOM 0 H GLN A 73 -10.873 -18.221 -6.203 1.00 0.00 H new ATOM 0 HA GLN A 73 -12.565 -17.997 -3.953 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -12.843 -19.557 -5.897 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.446 -20.463 -5.350 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.543 -21.558 -4.687 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -12.596 -21.092 -3.288 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -13.295 -19.378 -1.934 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -14.957 -18.782 -1.996 1.00 0.00 H new ATOM 1146 N GLY A 74 -9.559 -18.922 -3.278 1.00 0.00 N ATOM 1147 CA GLY A 74 -8.672 -19.182 -2.162 1.00 0.00 C ATOM 1148 C GLY A 74 -8.580 -17.982 -1.249 1.00 0.00 C ATOM 1149 O GLY A 74 -8.158 -18.084 -0.097 1.00 0.00 O ATOM 0 H GLY A 74 -9.091 -18.704 -4.158 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.033 -20.044 -1.600 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.680 -19.437 -2.534 1.00 0.00 H new ATOM 1153 N ILE A 75 -8.981 -16.840 -1.785 1.00 0.00 N ATOM 1154 CA ILE A 75 -8.985 -15.587 -1.058 1.00 0.00 C ATOM 1155 C ILE A 75 -10.400 -15.250 -0.598 1.00 0.00 C ATOM 1156 O ILE A 75 -11.244 -14.845 -1.395 1.00 0.00 O ATOM 1157 CB ILE A 75 -8.474 -14.449 -1.958 1.00 0.00 C ATOM 1158 CG1 ILE A 75 -7.128 -14.832 -2.586 1.00 0.00 C ATOM 1159 CG2 ILE A 75 -8.358 -13.161 -1.160 1.00 0.00 C ATOM 1160 CD1 ILE A 75 -5.923 -14.447 -1.753 1.00 0.00 C ATOM 0 H ILE A 75 -9.315 -16.759 -2.745 1.00 0.00 H new ATOM 0 HA ILE A 75 -8.332 -15.693 -0.192 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.189 -14.286 -2.764 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.111 -15.909 -2.753 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.047 -14.356 -3.563 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.995 -12.363 -1.808 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.336 -12.890 -0.763 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.659 -13.305 -0.336 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.012 -14.753 -2.268 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -5.912 -13.367 -1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.977 -14.944 -0.784 1.00 0.00 H new ATOM 1172 N SER A 76 -10.660 -15.411 0.685 1.00 0.00 N ATOM 1173 CA SER A 76 -11.981 -15.146 1.222 1.00 0.00 C ATOM 1174 C SER A 76 -12.072 -13.713 1.733 1.00 0.00 C ATOM 1175 O SER A 76 -13.133 -13.261 2.173 1.00 0.00 O ATOM 1176 CB SER A 76 -12.292 -16.135 2.346 1.00 0.00 C ATOM 1177 OG SER A 76 -13.592 -15.935 2.880 1.00 0.00 O ATOM 0 H SER A 76 -9.976 -15.723 1.374 1.00 0.00 H new ATOM 0 HA SER A 76 -12.716 -15.272 0.427 1.00 0.00 H new ATOM 0 HB2 SER A 76 -12.207 -17.154 1.967 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.553 -16.027 3.140 1.00 0.00 H new ATOM 0 HG SER A 76 -13.865 -15.005 2.737 1.00 0.00 H new ATOM 1183 N SER A 77 -10.958 -13.002 1.670 1.00 0.00 N ATOM 1184 CA SER A 77 -10.893 -11.637 2.162 1.00 0.00 C ATOM 1185 C SER A 77 -10.477 -10.675 1.052 1.00 0.00 C ATOM 1186 O SER A 77 -9.385 -10.787 0.505 1.00 0.00 O ATOM 1187 CB SER A 77 -9.894 -11.558 3.315 1.00 0.00 C ATOM 1188 OG SER A 77 -10.178 -12.523 4.314 1.00 0.00 O ATOM 0 H SER A 77 -10.082 -13.351 1.281 1.00 0.00 H new ATOM 0 HA SER A 77 -11.884 -11.347 2.512 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.884 -11.713 2.935 1.00 0.00 H new ATOM 0 HB3 SER A 77 -9.920 -10.560 3.753 1.00 0.00 H new ATOM 0 HG SER A 77 -9.521 -12.448 5.037 1.00 0.00 H new ATOM 1194 N PRO A 78 -11.377 -9.741 0.686 1.00 0.00 N ATOM 1195 CA PRO A 78 -11.093 -8.633 -0.230 1.00 0.00 C ATOM 1196 C PRO A 78 -9.684 -8.064 -0.100 1.00 0.00 C ATOM 1197 O PRO A 78 -8.934 -8.024 -1.074 1.00 0.00 O ATOM 1198 CB PRO A 78 -12.122 -7.600 0.209 1.00 0.00 C ATOM 1199 CG PRO A 78 -13.316 -8.414 0.558 1.00 0.00 C ATOM 1200 CD PRO A 78 -12.792 -9.724 1.105 1.00 0.00 C ATOM 0 HA PRO A 78 -11.150 -8.942 -1.274 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.769 -7.022 1.063 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.341 -6.890 -0.588 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.932 -7.903 1.297 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.942 -8.581 -0.318 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -12.888 -9.771 2.190 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.340 -10.574 0.699 1.00 0.00 H new ATOM 1208 N PHE A 79 -9.335 -7.632 1.106 1.00 0.00 N ATOM 1209 CA PHE A 79 -8.021 -7.049 1.377 1.00 0.00 C ATOM 1210 C PHE A 79 -6.898 -8.024 1.019 1.00 0.00 C ATOM 1211 O PHE A 79 -5.826 -7.618 0.574 1.00 0.00 O ATOM 1212 CB PHE A 79 -7.930 -6.642 2.858 1.00 0.00 C ATOM 1213 CG PHE A 79 -7.125 -7.572 3.731 1.00 0.00 C ATOM 1214 CD1 PHE A 79 -7.706 -8.691 4.307 1.00 0.00 C ATOM 1215 CD2 PHE A 79 -5.788 -7.312 3.985 1.00 0.00 C ATOM 1216 CE1 PHE A 79 -6.966 -9.535 5.115 1.00 0.00 C ATOM 1217 CE2 PHE A 79 -5.045 -8.149 4.791 1.00 0.00 C ATOM 1218 CZ PHE A 79 -5.634 -9.263 5.357 1.00 0.00 C ATOM 0 H PHE A 79 -9.948 -7.674 1.920 1.00 0.00 H new ATOM 0 HA PHE A 79 -7.900 -6.163 0.753 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.494 -5.645 2.918 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.940 -6.573 3.262 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.748 -8.906 4.123 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.321 -6.442 3.546 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -7.429 -10.405 5.556 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.004 -7.934 4.979 1.00 0.00 H new ATOM 0 HZ PHE A 79 -5.054 -9.920 5.988 1.00 0.00 H new ATOM 1228 N GLU A 80 -7.169 -9.310 1.191 1.00 0.00 N ATOM 1229 CA GLU A 80 -6.166 -10.345 0.999 1.00 0.00 C ATOM 1230 C GLU A 80 -5.816 -10.491 -0.482 1.00 0.00 C ATOM 1231 O GLU A 80 -4.687 -10.838 -0.827 1.00 0.00 O ATOM 1232 CB GLU A 80 -6.688 -11.665 1.563 1.00 0.00 C ATOM 1233 CG GLU A 80 -5.640 -12.753 1.703 1.00 0.00 C ATOM 1234 CD GLU A 80 -5.065 -12.828 3.101 1.00 0.00 C ATOM 1235 OE1 GLU A 80 -5.757 -13.334 4.008 1.00 0.00 O ATOM 1236 OE2 GLU A 80 -3.921 -12.390 3.308 1.00 0.00 O ATOM 0 H GLU A 80 -8.086 -9.663 1.466 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.256 -10.064 1.529 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.130 -11.477 2.542 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.487 -12.030 0.917 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.083 -13.715 1.444 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.834 -12.571 0.992 1.00 0.00 H new ATOM 1243 N SER A 81 -6.773 -10.197 -1.361 1.00 0.00 N ATOM 1244 CA SER A 81 -6.529 -10.300 -2.791 1.00 0.00 C ATOM 1245 C SER A 81 -5.764 -9.069 -3.248 1.00 0.00 C ATOM 1246 O SER A 81 -4.891 -9.133 -4.115 1.00 0.00 O ATOM 1247 CB SER A 81 -7.852 -10.420 -3.554 1.00 0.00 C ATOM 1248 OG SER A 81 -7.645 -10.534 -4.953 1.00 0.00 O ATOM 0 H SER A 81 -7.712 -9.890 -1.108 1.00 0.00 H new ATOM 0 HA SER A 81 -5.941 -11.194 -2.997 1.00 0.00 H new ATOM 0 HB2 SER A 81 -8.401 -11.291 -3.196 1.00 0.00 H new ATOM 0 HB3 SER A 81 -8.471 -9.547 -3.348 1.00 0.00 H new ATOM 0 HG SER A 81 -8.503 -10.450 -5.419 1.00 0.00 H new ATOM 1254 N VAL A 82 -6.099 -7.953 -2.623 1.00 0.00 N ATOM 1255 CA VAL A 82 -5.443 -6.683 -2.876 1.00 0.00 C ATOM 1256 C VAL A 82 -3.962 -6.767 -2.565 1.00 0.00 C ATOM 1257 O VAL A 82 -3.134 -6.210 -3.289 1.00 0.00 O ATOM 1258 CB VAL A 82 -6.057 -5.585 -2.006 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -5.335 -4.267 -2.203 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -7.540 -5.458 -2.291 1.00 0.00 C ATOM 0 H VAL A 82 -6.838 -7.903 -1.922 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.581 -6.447 -3.931 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.938 -5.863 -0.959 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.792 -3.504 -1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.286 -4.382 -1.930 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.407 -3.965 -3.248 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.965 -4.673 -1.665 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.688 -5.205 -3.341 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.035 -6.404 -2.072 1.00 0.00 H new ATOM 1270 N LYS A 83 -3.631 -7.459 -1.482 1.00 0.00 N ATOM 1271 CA LYS A 83 -2.243 -7.637 -1.105 1.00 0.00 C ATOM 1272 C LYS A 83 -1.490 -8.235 -2.265 1.00 0.00 C ATOM 1273 O LYS A 83 -0.468 -7.729 -2.675 1.00 0.00 O ATOM 1274 CB LYS A 83 -2.094 -8.568 0.090 1.00 0.00 C ATOM 1275 CG LYS A 83 -2.870 -8.162 1.321 1.00 0.00 C ATOM 1276 CD LYS A 83 -2.422 -8.951 2.543 1.00 0.00 C ATOM 1277 CE LYS A 83 -1.935 -10.345 2.174 1.00 0.00 C ATOM 1278 NZ LYS A 83 -1.656 -11.169 3.378 1.00 0.00 N ATOM 0 H LYS A 83 -4.303 -7.902 -0.856 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.845 -6.659 -0.834 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.411 -9.568 -0.207 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.038 -8.633 0.351 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -2.734 -7.096 1.504 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.935 -8.323 1.152 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.623 -8.410 3.051 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -3.250 -9.031 3.247 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.686 -10.842 1.560 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.031 -10.266 1.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.843 -11.791 3.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.439 -10.546 4.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.490 -11.748 3.604 1.00 0.00 H new ATOM 1292 N ARG A 84 -2.058 -9.281 -2.830 1.00 0.00 N ATOM 1293 CA ARG A 84 -1.403 -10.037 -3.888 1.00 0.00 C ATOM 1294 C ARG A 84 -1.186 -9.154 -5.109 1.00 0.00 C ATOM 1295 O ARG A 84 -0.193 -9.289 -5.826 1.00 0.00 O ATOM 1296 CB ARG A 84 -2.249 -11.253 -4.262 1.00 0.00 C ATOM 1297 CG ARG A 84 -2.830 -11.970 -3.053 1.00 0.00 C ATOM 1298 CD ARG A 84 -1.745 -12.392 -2.070 1.00 0.00 C ATOM 1299 NE ARG A 84 -0.818 -13.359 -2.645 1.00 0.00 N ATOM 1300 CZ ARG A 84 0.464 -13.470 -2.296 1.00 0.00 C ATOM 1301 NH1 ARG A 84 1.019 -12.601 -1.458 1.00 0.00 N ATOM 1302 NH2 ARG A 84 1.205 -14.437 -2.818 1.00 0.00 N ATOM 0 H ARG A 84 -2.981 -9.632 -2.574 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.433 -10.379 -3.527 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.063 -10.935 -4.914 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.637 -11.952 -4.832 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.542 -11.316 -2.550 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.383 -12.849 -3.383 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.191 -11.511 -1.745 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.210 -12.822 -1.183 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.173 -13.992 -3.361 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.463 -11.837 -1.073 1.00 0.00 H new ATOM 0 HH12 ARG A 84 2.001 -12.698 -1.199 1.00 0.00 H new ATOM 0 HH21 ARG A 84 0.794 -15.092 -3.483 1.00 0.00 H new ATOM 0 HH22 ARG A 84 2.186 -14.526 -2.554 1.00 0.00 H new ATOM 1316 N ASP A 85 -2.115 -8.229 -5.310 1.00 0.00 N ATOM 1317 CA ASP A 85 -2.065 -7.306 -6.424 1.00 0.00 C ATOM 1318 C ASP A 85 -0.923 -6.314 -6.242 1.00 0.00 C ATOM 1319 O ASP A 85 -0.210 -5.986 -7.184 1.00 0.00 O ATOM 1320 CB ASP A 85 -3.400 -6.562 -6.550 1.00 0.00 C ATOM 1321 CG ASP A 85 -3.421 -5.619 -7.736 1.00 0.00 C ATOM 1322 OD1 ASP A 85 -2.940 -4.476 -7.600 1.00 0.00 O ATOM 1323 OD2 ASP A 85 -3.915 -6.025 -8.813 1.00 0.00 O ATOM 0 H ASP A 85 -2.924 -8.101 -4.701 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.889 -7.871 -7.339 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.209 -7.286 -6.649 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.587 -5.998 -5.636 1.00 0.00 H new ATOM 1328 N VAL A 86 -0.739 -5.848 -5.019 1.00 0.00 N ATOM 1329 CA VAL A 86 0.321 -4.896 -4.745 1.00 0.00 C ATOM 1330 C VAL A 86 1.648 -5.601 -4.452 1.00 0.00 C ATOM 1331 O VAL A 86 2.701 -5.121 -4.848 1.00 0.00 O ATOM 1332 CB VAL A 86 -0.053 -3.924 -3.596 1.00 0.00 C ATOM 1333 CG1 VAL A 86 -1.287 -3.123 -3.967 1.00 0.00 C ATOM 1334 CG2 VAL A 86 -0.273 -4.654 -2.279 1.00 0.00 C ATOM 0 H VAL A 86 -1.302 -6.110 -4.210 1.00 0.00 H new ATOM 0 HA VAL A 86 0.449 -4.300 -5.649 1.00 0.00 H new ATOM 0 HB VAL A 86 0.788 -3.245 -3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.539 -2.445 -3.152 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.089 -2.547 -4.871 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.121 -3.802 -4.145 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.533 -3.934 -1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.084 -5.373 -2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.640 -5.178 -1.997 1.00 0.00 H new ATOM 1344 N GLU A 87 1.589 -6.754 -3.787 1.00 0.00 N ATOM 1345 CA GLU A 87 2.780 -7.535 -3.446 1.00 0.00 C ATOM 1346 C GLU A 87 3.526 -8.007 -4.690 1.00 0.00 C ATOM 1347 O GLU A 87 4.748 -8.049 -4.702 1.00 0.00 O ATOM 1348 CB GLU A 87 2.411 -8.752 -2.587 1.00 0.00 C ATOM 1349 CG GLU A 87 1.965 -8.405 -1.171 1.00 0.00 C ATOM 1350 CD GLU A 87 1.533 -9.625 -0.372 1.00 0.00 C ATOM 1351 OE1 GLU A 87 0.437 -10.166 -0.644 1.00 0.00 O ATOM 1352 OE2 GLU A 87 2.281 -10.048 0.527 1.00 0.00 O ATOM 0 H GLU A 87 0.715 -7.174 -3.469 1.00 0.00 H new ATOM 0 HA GLU A 87 3.436 -6.874 -2.879 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.612 -9.304 -3.083 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.272 -9.418 -2.532 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.782 -7.906 -0.650 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.138 -7.697 -1.219 1.00 0.00 H new