USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 609 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 60 ASN : amide:sc= -7.89! C(o=-7.5!,f=-5.7!) USER MOD Set 1.2: A 79 SER OG : rot -118:sc= 0.367! USER MOD Single : A 12 CYS SG : rot 160:sc= -0.51 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 40:sc= -0.646 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 120:sc= -1.46 USER MOD Single : A 36 MET CE :methyl 156:sc= -0.7 (180deg=-1.33) USER MOD Single : A 37 THR OG1 : rot -90:sc= -0.462 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -0.469 X(o=-0.47,f=-0.092) USER MOD Single : A 63 ASN : amide:sc= -0.315 X(o=-0.31,f=0) USER MOD Single : A 68 SER OG : rot 101:sc= 0.329 USER MOD Single : A 69 HIS : no HE2:sc= -0.366 K(o=-0.37,f=-0.92) USER MOD Single : A 75 LYS NZ :NH3+ -154:sc= -1.22 (180deg=-2.66) USER MOD Single : A 77 LYS NZ :NH3+ -171:sc= -0.849 (180deg=-1.04) USER MOD Single : A 78 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0124) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -172:sc= 0 (180deg=-0.114) USER MOD Single : A 90 LYS NZ :NH3+ 133:sc= -0.204 (180deg=-1.18) USER MOD ----------------------------------------------------------------- ATOM 83 N PRO A 9 -0.371 -8.500 -11.858 1.00 0.00 N ATOM 84 CA PRO A 9 -0.524 -7.408 -10.892 1.00 0.00 C ATOM 85 C PRO A 9 -0.104 -6.060 -11.469 1.00 0.00 C ATOM 86 O PRO A 9 0.505 -5.994 -12.537 1.00 0.00 O ATOM 87 CB PRO A 9 0.409 -7.813 -9.748 1.00 0.00 C ATOM 88 CG PRO A 9 1.433 -8.688 -10.385 1.00 0.00 C ATOM 89 CD PRO A 9 0.723 -9.416 -11.493 1.00 0.00 C ATOM 0 HA PRO A 9 -1.562 -7.276 -10.588 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.868 -6.940 -9.284 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.132 -8.343 -8.965 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.263 -8.098 -10.774 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.851 -9.389 -9.663 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.385 -9.607 -12.337 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.344 -10.382 -11.160 1.00 0.00 H new ATOM 97 N ARG A 10 -0.434 -4.988 -10.756 1.00 0.00 N ATOM 98 CA ARG A 10 -0.091 -3.642 -11.198 1.00 0.00 C ATOM 99 C ARG A 10 1.130 -3.117 -10.449 1.00 0.00 C ATOM 100 O ARG A 10 1.188 -3.171 -9.220 1.00 0.00 O ATOM 101 CB ARG A 10 -1.276 -2.697 -10.989 1.00 0.00 C ATOM 102 CG ARG A 10 -1.175 -1.407 -11.788 1.00 0.00 C ATOM 103 CD ARG A 10 -1.790 -1.559 -13.170 1.00 0.00 C ATOM 104 NE ARG A 10 -1.501 -0.411 -14.026 1.00 0.00 N ATOM 105 CZ ARG A 10 -2.078 -0.211 -15.206 1.00 0.00 C ATOM 106 NH1 ARG A 10 -2.970 -1.077 -15.667 1.00 0.00 N ATOM 107 NH2 ARG A 10 -1.763 0.858 -15.927 1.00 0.00 N ATOM 0 H ARG A 10 -0.938 -5.026 -9.870 1.00 0.00 H new ATOM 0 HA ARG A 10 0.148 -3.686 -12.261 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.195 -3.214 -11.265 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.353 -2.453 -9.929 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.679 -0.604 -11.250 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.128 -1.118 -11.884 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.409 -2.466 -13.639 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.869 -1.678 -13.076 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.819 0.274 -13.700 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.215 -1.899 -15.115 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.411 -0.921 -16.573 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.078 1.527 -15.575 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.206 1.011 -16.833 1.00 0.00 H new ATOM 121 N LEU A 11 2.104 -2.610 -11.197 1.00 0.00 N ATOM 122 CA LEU A 11 3.325 -2.076 -10.604 1.00 0.00 C ATOM 123 C LEU A 11 3.134 -0.624 -10.179 1.00 0.00 C ATOM 124 O LEU A 11 3.141 0.283 -11.012 1.00 0.00 O ATOM 125 CB LEU A 11 4.485 -2.181 -11.595 1.00 0.00 C ATOM 126 CG LEU A 11 5.887 -2.009 -11.009 1.00 0.00 C ATOM 127 CD1 LEU A 11 6.044 -0.625 -10.398 1.00 0.00 C ATOM 128 CD2 LEU A 11 6.167 -3.087 -9.972 1.00 0.00 C ATOM 0 H LEU A 11 2.072 -2.558 -12.215 1.00 0.00 H new ATOM 0 HA LEU A 11 3.558 -2.667 -9.718 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.434 -3.155 -12.082 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.343 -1.429 -12.371 1.00 0.00 H new ATOM 0 HG LEU A 11 6.613 -2.112 -11.816 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.048 -0.521 -9.986 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.887 0.132 -11.166 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.310 -0.493 -9.603 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.169 -2.949 -9.565 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.436 -3.016 -9.167 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.097 -4.069 -10.440 1.00 0.00 H new ATOM 140 N CYS A 12 2.965 -0.411 -8.878 1.00 0.00 N ATOM 141 CA CYS A 12 2.774 0.932 -8.342 1.00 0.00 C ATOM 142 C CYS A 12 4.113 1.575 -7.996 1.00 0.00 C ATOM 143 O CYS A 12 4.690 1.303 -6.943 1.00 0.00 O ATOM 144 CB CYS A 12 1.881 0.886 -7.101 1.00 0.00 C ATOM 145 SG CYS A 12 0.242 0.182 -7.398 1.00 0.00 S ATOM 0 H CYS A 12 2.956 -1.151 -8.176 1.00 0.00 H new ATOM 0 HA CYS A 12 2.288 1.537 -9.108 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.381 0.302 -6.328 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.765 1.898 -6.712 1.00 0.00 H new ATOM 0 HG CYS A 12 -0.274 -0.208 -6.270 1.00 0.00 H new ATOM 151 N TYR A 13 4.601 2.429 -8.889 1.00 0.00 N ATOM 152 CA TYR A 13 5.875 3.108 -8.681 1.00 0.00 C ATOM 153 C TYR A 13 5.698 4.336 -7.793 1.00 0.00 C ATOM 154 O TYR A 13 5.283 5.398 -8.258 1.00 0.00 O ATOM 155 CB TYR A 13 6.484 3.518 -10.022 1.00 0.00 C ATOM 156 CG TYR A 13 7.996 3.520 -10.025 1.00 0.00 C ATOM 157 CD1 TYR A 13 8.712 2.335 -10.147 1.00 0.00 C ATOM 158 CD2 TYR A 13 8.709 4.707 -9.906 1.00 0.00 C ATOM 159 CE1 TYR A 13 10.093 2.332 -10.150 1.00 0.00 C ATOM 160 CE2 TYR A 13 10.090 4.713 -9.909 1.00 0.00 C ATOM 161 CZ TYR A 13 10.778 3.524 -10.031 1.00 0.00 C ATOM 162 OH TYR A 13 12.154 3.526 -10.033 1.00 0.00 O ATOM 0 H TYR A 13 4.134 2.668 -9.764 1.00 0.00 H new ATOM 0 HA TYR A 13 6.550 2.414 -8.181 1.00 0.00 H new ATOM 0 HB2 TYR A 13 6.128 2.838 -10.796 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.127 4.514 -10.284 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.179 1.400 -10.241 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.174 5.640 -9.810 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.634 1.402 -10.245 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.629 5.644 -9.816 1.00 0.00 H new ATOM 0 HH TYR A 13 12.480 4.446 -9.942 1.00 0.00 H new ATOM 172 N LEU A 14 6.017 4.183 -6.512 1.00 0.00 N ATOM 173 CA LEU A 14 5.894 5.279 -5.557 1.00 0.00 C ATOM 174 C LEU A 14 7.164 6.124 -5.534 1.00 0.00 C ATOM 175 O LEU A 14 8.274 5.600 -5.629 1.00 0.00 O ATOM 176 CB LEU A 14 5.606 4.732 -4.158 1.00 0.00 C ATOM 177 CG LEU A 14 4.130 4.572 -3.792 1.00 0.00 C ATOM 178 CD1 LEU A 14 3.496 5.928 -3.525 1.00 0.00 C ATOM 179 CD2 LEU A 14 3.382 3.839 -4.896 1.00 0.00 C ATOM 0 H LEU A 14 6.363 3.311 -6.111 1.00 0.00 H new ATOM 0 HA LEU A 14 5.064 5.912 -5.871 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.091 3.761 -4.062 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.071 5.394 -3.428 1.00 0.00 H new ATOM 0 HG LEU A 14 4.064 3.978 -2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.446 5.794 -3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.014 6.416 -2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.573 6.548 -4.418 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.333 3.735 -4.618 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.456 4.406 -5.824 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.820 2.851 -5.038 1.00 0.00 H new ATOM 191 N VAL A 15 6.993 7.436 -5.403 1.00 0.00 N ATOM 192 CA VAL A 15 8.124 8.354 -5.363 1.00 0.00 C ATOM 193 C VAL A 15 7.898 9.461 -4.339 1.00 0.00 C ATOM 194 O VAL A 15 6.815 10.041 -4.264 1.00 0.00 O ATOM 195 CB VAL A 15 8.380 8.991 -6.743 1.00 0.00 C ATOM 196 CG1 VAL A 15 9.665 9.804 -6.726 1.00 0.00 C ATOM 197 CG2 VAL A 15 8.431 7.920 -7.822 1.00 0.00 C ATOM 0 H VAL A 15 6.081 7.886 -5.323 1.00 0.00 H new ATOM 0 HA VAL A 15 8.996 7.768 -5.074 1.00 0.00 H new ATOM 0 HB VAL A 15 7.555 9.666 -6.971 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.829 10.246 -7.709 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.585 10.596 -5.981 1.00 0.00 H new ATOM 0 HG13 VAL A 15 10.504 9.154 -6.476 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.612 8.387 -8.790 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.236 7.219 -7.601 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.481 7.386 -7.849 1.00 0.00 H new ATOM 207 N LYS A 16 8.929 9.750 -3.552 1.00 0.00 N ATOM 208 CA LYS A 16 8.845 10.789 -2.532 1.00 0.00 C ATOM 209 C LYS A 16 8.536 12.144 -3.160 1.00 0.00 C ATOM 210 O LYS A 16 9.300 12.644 -3.985 1.00 0.00 O ATOM 211 CB LYS A 16 10.155 10.866 -1.744 1.00 0.00 C ATOM 212 CG LYS A 16 10.183 9.965 -0.522 1.00 0.00 C ATOM 213 CD LYS A 16 11.470 10.137 0.268 1.00 0.00 C ATOM 214 CE LYS A 16 11.414 9.395 1.594 1.00 0.00 C ATOM 215 NZ LYS A 16 12.249 10.055 2.635 1.00 0.00 N ATOM 0 H LYS A 16 9.833 9.279 -3.601 1.00 0.00 H new ATOM 0 HA LYS A 16 8.034 10.531 -1.851 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.981 10.598 -2.402 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.320 11.896 -1.429 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.330 10.191 0.117 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.082 8.925 -0.833 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.311 9.770 -0.320 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.647 11.197 0.450 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.381 9.342 1.937 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.755 8.370 1.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.184 9.519 3.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.240 10.083 2.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.908 11.025 2.790 1.00 0.00 H new ATOM 229 N GLU A 17 7.413 12.734 -2.762 1.00 0.00 N ATOM 230 CA GLU A 17 7.006 14.032 -3.287 1.00 0.00 C ATOM 231 C GLU A 17 6.724 15.013 -2.152 1.00 0.00 C ATOM 232 O GLU A 17 7.149 16.167 -2.195 1.00 0.00 O ATOM 233 CB GLU A 17 5.763 13.884 -4.167 1.00 0.00 C ATOM 234 CG GLU A 17 6.005 13.072 -5.429 1.00 0.00 C ATOM 235 CD GLU A 17 4.824 13.105 -6.379 1.00 0.00 C ATOM 236 OE1 GLU A 17 4.471 14.208 -6.848 1.00 0.00 O ATOM 237 OE2 GLU A 17 4.252 12.029 -6.654 1.00 0.00 O ATOM 0 H GLU A 17 6.770 12.334 -2.079 1.00 0.00 H new ATOM 0 HA GLU A 17 7.825 14.425 -3.890 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.971 13.411 -3.586 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.405 14.875 -4.446 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.888 13.456 -5.940 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.218 12.038 -5.156 1.00 0.00 H new ATOM 244 N GLY A 18 6.004 14.545 -1.138 1.00 0.00 N ATOM 245 CA GLY A 18 5.676 15.393 -0.006 1.00 0.00 C ATOM 246 C GLY A 18 6.112 14.791 1.315 1.00 0.00 C ATOM 247 O GLY A 18 6.616 13.669 1.358 1.00 0.00 O ATOM 0 H GLY A 18 5.641 13.593 -1.079 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.153 16.365 -0.134 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.600 15.566 0.015 1.00 0.00 H new ATOM 251 N GLY A 19 5.919 15.539 2.397 1.00 0.00 N ATOM 252 CA GLY A 19 6.302 15.056 3.711 1.00 0.00 C ATOM 253 C GLY A 19 6.061 13.568 3.875 1.00 0.00 C ATOM 254 O GLY A 19 6.936 12.838 4.340 1.00 0.00 O ATOM 0 H GLY A 19 5.504 16.471 2.387 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.357 15.271 3.880 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.740 15.598 4.472 1.00 0.00 H new ATOM 258 N SER A 20 4.870 13.118 3.494 1.00 0.00 N ATOM 259 CA SER A 20 4.514 11.708 3.606 1.00 0.00 C ATOM 260 C SER A 20 3.982 11.175 2.280 1.00 0.00 C ATOM 261 O SER A 20 3.207 11.843 1.595 1.00 0.00 O ATOM 262 CB SER A 20 3.468 11.510 4.705 1.00 0.00 C ATOM 263 OG SER A 20 3.228 10.134 4.940 1.00 0.00 O ATOM 0 H SER A 20 4.135 13.709 3.105 1.00 0.00 H new ATOM 0 HA SER A 20 5.414 11.151 3.866 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.809 11.985 5.625 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.538 12.001 4.418 1.00 0.00 H new ATOM 0 HG SER A 20 2.557 10.035 5.648 1.00 0.00 H new ATOM 269 N TYR A 21 4.403 9.966 1.924 1.00 0.00 N ATOM 270 CA TYR A 21 3.971 9.343 0.679 1.00 0.00 C ATOM 271 C TYR A 21 2.472 9.527 0.468 1.00 0.00 C ATOM 272 O TYR A 21 2.043 10.325 -0.364 1.00 0.00 O ATOM 273 CB TYR A 21 4.318 7.853 0.683 1.00 0.00 C ATOM 274 CG TYR A 21 5.727 7.558 0.222 1.00 0.00 C ATOM 275 CD1 TYR A 21 6.011 7.355 -1.123 1.00 0.00 C ATOM 276 CD2 TYR A 21 6.775 7.481 1.131 1.00 0.00 C ATOM 277 CE1 TYR A 21 7.297 7.084 -1.549 1.00 0.00 C ATOM 278 CE2 TYR A 21 8.064 7.212 0.714 1.00 0.00 C ATOM 279 CZ TYR A 21 8.320 7.014 -0.627 1.00 0.00 C ATOM 280 OH TYR A 21 9.603 6.745 -1.046 1.00 0.00 O ATOM 0 H TYR A 21 5.043 9.399 2.480 1.00 0.00 H new ATOM 0 HA TYR A 21 4.497 9.830 -0.142 1.00 0.00 H new ATOM 0 HB2 TYR A 21 4.185 7.460 1.691 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.616 7.323 0.039 1.00 0.00 H new ATOM 0 HD1 TYR A 21 5.212 7.410 -1.848 1.00 0.00 H new ATOM 0 HD2 TYR A 21 6.578 7.634 2.182 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.500 6.928 -2.598 1.00 0.00 H new ATOM 0 HE2 TYR A 21 8.867 7.157 1.434 1.00 0.00 H new ATOM 0 HH TYR A 21 9.781 7.224 -1.882 1.00 0.00 H new ATOM 290 N GLY A 22 1.678 8.781 1.231 1.00 0.00 N ATOM 291 CA GLY A 22 0.234 8.876 1.114 1.00 0.00 C ATOM 292 C GLY A 22 -0.448 7.529 1.249 1.00 0.00 C ATOM 293 O GLY A 22 -1.454 7.267 0.589 1.00 0.00 O ATOM 0 H GLY A 22 2.009 8.113 1.927 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.146 9.551 1.881 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.021 9.314 0.149 1.00 0.00 H new ATOM 297 N PHE A 23 0.100 6.673 2.104 1.00 0.00 N ATOM 298 CA PHE A 23 -0.461 5.344 2.320 1.00 0.00 C ATOM 299 C PHE A 23 -0.024 4.783 3.670 1.00 0.00 C ATOM 300 O PHE A 23 1.031 5.142 4.192 1.00 0.00 O ATOM 301 CB PHE A 23 -0.031 4.397 1.198 1.00 0.00 C ATOM 302 CG PHE A 23 1.445 4.117 1.183 1.00 0.00 C ATOM 303 CD1 PHE A 23 2.020 3.307 2.149 1.00 0.00 C ATOM 304 CD2 PHE A 23 2.257 4.663 0.203 1.00 0.00 C ATOM 305 CE1 PHE A 23 3.378 3.047 2.138 1.00 0.00 C ATOM 306 CE2 PHE A 23 3.615 4.407 0.186 1.00 0.00 C ATOM 307 CZ PHE A 23 4.176 3.599 1.156 1.00 0.00 C ATOM 0 H PHE A 23 0.932 6.875 2.659 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.548 5.430 2.316 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.570 3.455 1.301 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.321 4.827 0.239 1.00 0.00 H new ATOM 0 HD1 PHE A 23 1.400 2.874 2.920 1.00 0.00 H new ATOM 0 HD2 PHE A 23 1.824 5.296 -0.557 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.814 2.413 2.896 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.237 4.838 -0.585 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.237 3.399 1.146 1.00 0.00 H new ATOM 317 N SER A 24 -0.846 3.901 4.231 1.00 0.00 N ATOM 318 CA SER A 24 -0.548 3.293 5.523 1.00 0.00 C ATOM 319 C SER A 24 -0.553 1.771 5.421 1.00 0.00 C ATOM 320 O SER A 24 -1.138 1.201 4.499 1.00 0.00 O ATOM 321 CB SER A 24 -1.564 3.749 6.571 1.00 0.00 C ATOM 322 OG SER A 24 -1.615 5.163 6.652 1.00 0.00 O ATOM 0 H SER A 24 -1.723 3.592 3.811 1.00 0.00 H new ATOM 0 HA SER A 24 0.447 3.616 5.828 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.551 3.360 6.318 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.298 3.335 7.544 1.00 0.00 H new ATOM 0 HG SER A 24 -2.273 5.428 7.328 1.00 0.00 H new ATOM 328 N LEU A 25 0.102 1.118 6.374 1.00 0.00 N ATOM 329 CA LEU A 25 0.173 -0.339 6.394 1.00 0.00 C ATOM 330 C LEU A 25 -0.252 -0.887 7.752 1.00 0.00 C ATOM 331 O LEU A 25 0.272 -0.482 8.790 1.00 0.00 O ATOM 332 CB LEU A 25 1.594 -0.804 6.066 1.00 0.00 C ATOM 333 CG LEU A 25 2.261 -0.128 4.867 1.00 0.00 C ATOM 334 CD1 LEU A 25 3.770 -0.308 4.925 1.00 0.00 C ATOM 335 CD2 LEU A 25 1.705 -0.684 3.564 1.00 0.00 C ATOM 0 H LEU A 25 0.592 1.574 7.144 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.513 -0.722 5.638 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.220 -0.642 6.944 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.571 -1.879 5.885 1.00 0.00 H new ATOM 0 HG LEU A 25 2.041 0.939 4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.228 0.179 4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.155 0.139 5.842 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.010 -1.371 4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.191 -0.192 2.722 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.894 -1.756 3.516 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.631 -0.503 3.520 1.00 0.00 H new ATOM 347 N LYS A 26 -1.205 -1.813 7.738 1.00 0.00 N ATOM 348 CA LYS A 26 -1.700 -2.421 8.967 1.00 0.00 C ATOM 349 C LYS A 26 -1.637 -3.943 8.886 1.00 0.00 C ATOM 350 O LYS A 26 -1.684 -4.520 7.799 1.00 0.00 O ATOM 351 CB LYS A 26 -3.138 -1.973 9.239 1.00 0.00 C ATOM 352 CG LYS A 26 -4.135 -2.468 8.205 1.00 0.00 C ATOM 353 CD LYS A 26 -5.463 -1.739 8.317 1.00 0.00 C ATOM 354 CE LYS A 26 -6.615 -2.601 7.826 1.00 0.00 C ATOM 355 NZ LYS A 26 -7.916 -1.880 7.895 1.00 0.00 N ATOM 0 H LYS A 26 -1.650 -2.159 6.888 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.062 -2.092 9.787 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.441 -2.330 10.223 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.171 -0.884 9.271 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.724 -2.326 7.205 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.294 -3.538 8.335 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.637 -1.455 9.355 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.423 -0.817 7.736 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.425 -2.910 6.798 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.671 -3.509 8.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.676 -2.501 7.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.110 -1.607 8.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.872 -1.027 7.302 1.00 0.00 H new ATOM 369 N THR A 27 -1.532 -4.590 10.043 1.00 0.00 N ATOM 370 CA THR A 27 -1.463 -6.044 10.102 1.00 0.00 C ATOM 371 C THR A 27 -2.816 -6.644 10.468 1.00 0.00 C ATOM 372 O THR A 27 -3.589 -6.047 11.217 1.00 0.00 O ATOM 373 CB THR A 27 -0.411 -6.516 11.124 1.00 0.00 C ATOM 374 OG1 THR A 27 -0.817 -6.150 12.448 1.00 0.00 O ATOM 375 CG2 THR A 27 0.950 -5.909 10.819 1.00 0.00 C ATOM 0 H THR A 27 -1.493 -4.129 10.952 1.00 0.00 H new ATOM 0 HA THR A 27 -1.173 -6.387 9.109 1.00 0.00 H new ATOM 0 HB THR A 27 -0.330 -7.601 11.056 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.144 -6.455 13.092 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.676 -6.257 11.554 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.269 -6.213 9.822 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.882 -4.822 10.863 1.00 0.00 H new ATOM 383 N VAL A 28 -3.096 -7.830 9.935 1.00 0.00 N ATOM 384 CA VAL A 28 -4.355 -8.512 10.208 1.00 0.00 C ATOM 385 C VAL A 28 -4.114 -9.934 10.703 1.00 0.00 C ATOM 386 O VAL A 28 -3.288 -10.660 10.152 1.00 0.00 O ATOM 387 CB VAL A 28 -5.250 -8.560 8.955 1.00 0.00 C ATOM 388 CG1 VAL A 28 -6.516 -9.355 9.234 1.00 0.00 C ATOM 389 CG2 VAL A 28 -5.586 -7.153 8.486 1.00 0.00 C ATOM 0 H VAL A 28 -2.468 -8.338 9.312 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.862 -7.941 10.986 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.703 -9.062 8.157 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.136 -9.378 8.338 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.251 -10.373 9.518 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.070 -8.884 10.046 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.219 -7.206 7.600 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.114 -6.622 9.278 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.666 -6.621 8.243 1.00 0.00 H new ATOM 467 N GLY A 33 2.413 -11.041 6.547 1.00 0.00 N ATOM 468 CA GLY A 33 3.041 -9.752 6.324 1.00 0.00 C ATOM 469 C GLY A 33 2.073 -8.598 6.494 1.00 0.00 C ATOM 470 O GLY A 33 1.309 -8.556 7.458 1.00 0.00 O ATOM 0 HA2 GLY A 33 3.872 -9.631 7.019 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.461 -9.725 5.318 1.00 0.00 H new ATOM 474 N VAL A 34 2.105 -7.657 5.555 1.00 0.00 N ATOM 475 CA VAL A 34 1.223 -6.497 5.606 1.00 0.00 C ATOM 476 C VAL A 34 0.669 -6.167 4.225 1.00 0.00 C ATOM 477 O VAL A 34 0.971 -6.848 3.244 1.00 0.00 O ATOM 478 CB VAL A 34 1.955 -5.260 6.162 1.00 0.00 C ATOM 479 CG1 VAL A 34 2.268 -5.444 7.639 1.00 0.00 C ATOM 480 CG2 VAL A 34 3.225 -4.991 5.368 1.00 0.00 C ATOM 0 H VAL A 34 2.732 -7.675 4.751 1.00 0.00 H new ATOM 0 HA VAL A 34 0.400 -6.754 6.273 1.00 0.00 H new ATOM 0 HB VAL A 34 1.300 -4.395 6.059 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.785 -4.561 8.014 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.340 -5.584 8.193 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.904 -6.319 7.770 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.729 -4.114 5.774 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.887 -5.854 5.437 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.970 -4.812 4.324 1.00 0.00 H new ATOM 490 N TYR A 35 -0.143 -5.118 4.154 1.00 0.00 N ATOM 491 CA TYR A 35 -0.742 -4.698 2.893 1.00 0.00 C ATOM 492 C TYR A 35 -1.139 -3.226 2.941 1.00 0.00 C ATOM 493 O TYR A 35 -1.293 -2.649 4.017 1.00 0.00 O ATOM 494 CB TYR A 35 -1.966 -5.559 2.574 1.00 0.00 C ATOM 495 CG TYR A 35 -3.078 -5.429 3.590 1.00 0.00 C ATOM 496 CD1 TYR A 35 -3.746 -4.223 3.768 1.00 0.00 C ATOM 497 CD2 TYR A 35 -3.462 -6.512 4.371 1.00 0.00 C ATOM 498 CE1 TYR A 35 -4.762 -4.100 4.696 1.00 0.00 C ATOM 499 CE2 TYR A 35 -4.478 -6.398 5.300 1.00 0.00 C ATOM 500 CZ TYR A 35 -5.125 -5.190 5.459 1.00 0.00 C ATOM 501 OH TYR A 35 -6.138 -5.072 6.383 1.00 0.00 O ATOM 0 H TYR A 35 -0.402 -4.543 4.956 1.00 0.00 H new ATOM 0 HA TYR A 35 0.001 -4.829 2.106 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.348 -5.282 1.592 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.660 -6.603 2.514 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.466 -3.368 3.171 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.958 -7.459 4.250 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.269 -3.155 4.823 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.764 -7.250 5.899 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.858 -5.699 6.161 1.00 0.00 H new ATOM 511 N MET A 36 -1.305 -2.626 1.767 1.00 0.00 N ATOM 512 CA MET A 36 -1.687 -1.221 1.675 1.00 0.00 C ATOM 513 C MET A 36 -3.076 -0.996 2.262 1.00 0.00 C ATOM 514 O MET A 36 -4.034 -1.679 1.898 1.00 0.00 O ATOM 515 CB MET A 36 -1.655 -0.757 0.217 1.00 0.00 C ATOM 516 CG MET A 36 -0.249 -0.581 -0.334 1.00 0.00 C ATOM 517 SD MET A 36 0.613 0.823 0.399 1.00 0.00 S ATOM 518 CE MET A 36 2.309 0.442 -0.033 1.00 0.00 C ATOM 0 H MET A 36 -1.181 -3.090 0.867 1.00 0.00 H new ATOM 0 HA MET A 36 -0.970 -0.636 2.251 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.189 -1.481 -0.398 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.190 0.189 0.133 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.325 -1.490 -0.152 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.300 -0.447 -1.415 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.896 1.360 -0.046 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.726 -0.246 0.703 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.338 -0.021 -1.019 1.00 0.00 H new ATOM 528 N THR A 37 -3.180 -0.034 3.174 1.00 0.00 N ATOM 529 CA THR A 37 -4.451 0.281 3.812 1.00 0.00 C ATOM 530 C THR A 37 -4.600 1.782 4.032 1.00 0.00 C ATOM 531 O THR A 37 -3.618 2.524 4.001 1.00 0.00 O ATOM 532 CB THR A 37 -4.594 -0.441 5.166 1.00 0.00 C ATOM 533 OG1 THR A 37 -5.979 -0.633 5.475 1.00 0.00 O ATOM 534 CG2 THR A 37 -3.926 0.355 6.277 1.00 0.00 C ATOM 0 H THR A 37 -2.398 0.541 3.487 1.00 0.00 H new ATOM 0 HA THR A 37 -5.236 -0.064 3.139 1.00 0.00 H new ATOM 0 HB THR A 37 -4.102 -1.411 5.090 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.311 0.138 5.980 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.040 -0.174 7.223 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.866 0.473 6.053 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.393 1.337 6.352 1.00 0.00 H new ATOM 542 N ASP A 38 -5.833 2.223 4.254 1.00 0.00 N ATOM 543 CA ASP A 38 -6.111 3.637 4.481 1.00 0.00 C ATOM 544 C ASP A 38 -5.456 4.498 3.406 1.00 0.00 C ATOM 545 O ASP A 38 -4.854 5.530 3.705 1.00 0.00 O ATOM 546 CB ASP A 38 -5.614 4.060 5.864 1.00 0.00 C ATOM 547 CG ASP A 38 -6.441 5.183 6.458 1.00 0.00 C ATOM 548 OD1 ASP A 38 -7.680 5.151 6.305 1.00 0.00 O ATOM 549 OD2 ASP A 38 -5.850 6.094 7.075 1.00 0.00 O ATOM 0 H ASP A 38 -6.657 1.622 4.282 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.190 3.783 4.431 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.639 3.201 6.534 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.574 4.378 5.792 1.00 0.00 H new ATOM 554 N ILE A 39 -5.576 4.067 2.155 1.00 0.00 N ATOM 555 CA ILE A 39 -4.996 4.799 1.036 1.00 0.00 C ATOM 556 C ILE A 39 -5.411 6.266 1.064 1.00 0.00 C ATOM 557 O ILE A 39 -6.595 6.590 0.968 1.00 0.00 O ATOM 558 CB ILE A 39 -5.411 4.185 -0.314 1.00 0.00 C ATOM 559 CG1 ILE A 39 -4.834 2.776 -0.458 1.00 0.00 C ATOM 560 CG2 ILE A 39 -4.952 5.071 -1.462 1.00 0.00 C ATOM 561 CD1 ILE A 39 -3.335 2.754 -0.660 1.00 0.00 C ATOM 0 H ILE A 39 -6.070 3.214 1.891 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.913 4.729 1.140 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.498 4.116 -0.346 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.081 2.198 0.433 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.313 2.280 -1.302 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.253 4.624 -2.409 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.407 6.057 -1.365 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.867 5.168 -1.435 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.996 1.722 -0.754 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.082 3.304 -1.567 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.846 3.220 0.195 1.00 0.00 H new ATOM 573 N THR A 40 -4.427 7.151 1.196 1.00 0.00 N ATOM 574 CA THR A 40 -4.689 8.584 1.236 1.00 0.00 C ATOM 575 C THR A 40 -5.215 9.085 -0.104 1.00 0.00 C ATOM 576 O THR A 40 -4.564 8.954 -1.141 1.00 0.00 O ATOM 577 CB THR A 40 -3.422 9.377 1.606 1.00 0.00 C ATOM 578 OG1 THR A 40 -2.876 8.883 2.835 1.00 0.00 O ATOM 579 CG2 THR A 40 -3.731 10.860 1.743 1.00 0.00 C ATOM 0 H THR A 40 -3.442 6.900 1.277 1.00 0.00 H new ATOM 0 HA THR A 40 -5.446 8.745 2.003 1.00 0.00 H new ATOM 0 HB THR A 40 -2.693 9.247 0.806 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.070 9.391 3.062 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.820 11.399 2.005 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.118 11.240 0.798 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.476 11.006 2.525 1.00 0.00 H new ATOM 587 N PRO A 41 -6.420 9.673 -0.086 1.00 0.00 N ATOM 588 CA PRO A 41 -7.059 10.206 -1.293 1.00 0.00 C ATOM 589 C PRO A 41 -6.352 11.450 -1.822 1.00 0.00 C ATOM 590 O PRO A 41 -6.147 12.417 -1.088 1.00 0.00 O ATOM 591 CB PRO A 41 -8.473 10.555 -0.821 1.00 0.00 C ATOM 592 CG PRO A 41 -8.336 10.793 0.643 1.00 0.00 C ATOM 593 CD PRO A 41 -7.252 9.862 1.114 1.00 0.00 C ATOM 0 HA PRO A 41 -7.034 9.493 -2.117 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.854 11.439 -1.332 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -9.171 9.743 -1.026 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -8.075 11.831 0.847 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.274 10.593 1.160 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -6.680 10.294 1.935 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.661 8.917 1.472 1.00 0.00 H new ATOM 601 N GLN A 42 -5.982 11.417 -3.098 1.00 0.00 N ATOM 602 CA GLN A 42 -5.298 12.542 -3.723 1.00 0.00 C ATOM 603 C GLN A 42 -3.870 12.669 -3.202 1.00 0.00 C ATOM 604 O GLN A 42 -3.444 13.745 -2.783 1.00 0.00 O ATOM 605 CB GLN A 42 -6.064 13.840 -3.465 1.00 0.00 C ATOM 606 CG GLN A 42 -5.823 14.909 -4.519 1.00 0.00 C ATOM 607 CD GLN A 42 -6.203 16.297 -4.040 1.00 0.00 C ATOM 608 OE1 GLN A 42 -5.339 17.116 -3.728 1.00 0.00 O ATOM 609 NE2 GLN A 42 -7.502 16.568 -3.980 1.00 0.00 N ATOM 0 H GLN A 42 -6.144 10.624 -3.719 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.259 12.359 -4.797 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.131 13.620 -3.420 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.778 14.233 -2.489 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.771 14.902 -4.804 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.397 14.668 -5.414 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.184 15.859 -4.248 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.818 17.486 -3.665 1.00 0.00 H new ATOM 618 N GLY A 43 -3.134 11.562 -3.231 1.00 0.00 N ATOM 619 CA GLY A 43 -1.762 11.570 -2.758 1.00 0.00 C ATOM 620 C GLY A 43 -0.828 10.804 -3.674 1.00 0.00 C ATOM 621 O GLY A 43 -1.229 10.358 -4.750 1.00 0.00 O ATOM 0 H GLY A 43 -3.464 10.660 -3.574 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.417 12.600 -2.672 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.723 11.136 -1.759 1.00 0.00 H new ATOM 625 N VAL A 44 0.422 10.650 -3.248 1.00 0.00 N ATOM 626 CA VAL A 44 1.415 9.933 -4.038 1.00 0.00 C ATOM 627 C VAL A 44 0.928 8.532 -4.393 1.00 0.00 C ATOM 628 O VAL A 44 1.199 8.028 -5.482 1.00 0.00 O ATOM 629 CB VAL A 44 2.756 9.823 -3.287 1.00 0.00 C ATOM 630 CG1 VAL A 44 3.788 9.101 -4.140 1.00 0.00 C ATOM 631 CG2 VAL A 44 3.255 11.202 -2.884 1.00 0.00 C ATOM 0 H VAL A 44 0.770 11.012 -2.360 1.00 0.00 H new ATOM 0 HA VAL A 44 1.565 10.505 -4.953 1.00 0.00 H new ATOM 0 HB VAL A 44 2.598 9.240 -2.380 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.728 9.033 -3.593 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.430 8.098 -4.373 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.946 9.654 -5.066 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.203 11.106 -2.355 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.398 11.812 -3.776 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.522 11.678 -2.232 1.00 0.00 H new ATOM 641 N ALA A 45 0.207 7.910 -3.467 1.00 0.00 N ATOM 642 CA ALA A 45 -0.321 6.568 -3.683 1.00 0.00 C ATOM 643 C ALA A 45 -1.485 6.589 -4.669 1.00 0.00 C ATOM 644 O ALA A 45 -1.364 6.109 -5.796 1.00 0.00 O ATOM 645 CB ALA A 45 -0.757 5.953 -2.362 1.00 0.00 C ATOM 0 H ALA A 45 -0.025 8.314 -2.559 1.00 0.00 H new ATOM 0 HA ALA A 45 0.473 5.956 -4.111 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.149 4.951 -2.539 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.098 5.894 -1.688 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.533 6.572 -1.911 1.00 0.00 H new ATOM 651 N MET A 46 -2.611 7.146 -4.236 1.00 0.00 N ATOM 652 CA MET A 46 -3.796 7.228 -5.081 1.00 0.00 C ATOM 653 C MET A 46 -3.429 7.687 -6.489 1.00 0.00 C ATOM 654 O MET A 46 -4.126 7.374 -7.455 1.00 0.00 O ATOM 655 CB MET A 46 -4.819 8.188 -4.470 1.00 0.00 C ATOM 656 CG MET A 46 -6.179 8.139 -5.147 1.00 0.00 C ATOM 657 SD MET A 46 -6.821 6.460 -5.294 1.00 0.00 S ATOM 658 CE MET A 46 -8.100 6.476 -4.040 1.00 0.00 C ATOM 0 H MET A 46 -2.728 7.547 -3.305 1.00 0.00 H new ATOM 0 HA MET A 46 -4.235 6.233 -5.145 1.00 0.00 H new ATOM 0 HB2 MET A 46 -4.940 7.952 -3.413 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.430 9.205 -4.527 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.885 8.746 -4.580 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.103 8.583 -6.140 1.00 0.00 H new ATOM 0 HE1 MET A 46 -8.591 5.503 -4.009 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.654 6.689 -3.068 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.834 7.246 -4.279 1.00 0.00 H new ATOM 668 N ARG A 47 -2.332 8.428 -6.598 1.00 0.00 N ATOM 669 CA ARG A 47 -1.873 8.930 -7.888 1.00 0.00 C ATOM 670 C ARG A 47 -1.053 7.874 -8.622 1.00 0.00 C ATOM 671 O ARG A 47 -1.152 7.733 -9.840 1.00 0.00 O ATOM 672 CB ARG A 47 -1.040 10.198 -7.698 1.00 0.00 C ATOM 673 CG ARG A 47 -1.872 11.439 -7.419 1.00 0.00 C ATOM 674 CD ARG A 47 -2.530 11.965 -8.685 1.00 0.00 C ATOM 675 NE ARG A 47 -1.547 12.446 -9.653 1.00 0.00 N ATOM 676 CZ ARG A 47 -1.011 13.660 -9.615 1.00 0.00 C ATOM 677 NH1 ARG A 47 -1.361 14.513 -8.661 1.00 0.00 N ATOM 678 NH2 ARG A 47 -0.123 14.024 -10.531 1.00 0.00 N ATOM 0 H ARG A 47 -1.744 8.694 -5.808 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.750 9.167 -8.491 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.344 10.045 -6.873 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.441 10.366 -8.593 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.638 11.206 -6.679 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.238 12.214 -6.988 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.128 11.174 -9.138 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.213 12.775 -8.429 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.257 11.814 -10.399 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.043 14.237 -7.955 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.948 15.445 -8.634 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.149 13.371 -11.266 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.288 14.957 -10.501 1.00 0.00 H new ATOM 692 N ALA A 48 -0.242 7.135 -7.872 1.00 0.00 N ATOM 693 CA ALA A 48 0.594 6.091 -8.450 1.00 0.00 C ATOM 694 C ALA A 48 -0.256 4.967 -9.034 1.00 0.00 C ATOM 695 O ALA A 48 0.182 4.246 -9.930 1.00 0.00 O ATOM 696 CB ALA A 48 1.552 5.541 -7.404 1.00 0.00 C ATOM 0 H ALA A 48 -0.147 7.241 -6.862 1.00 0.00 H new ATOM 0 HA ALA A 48 1.173 6.532 -9.261 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.170 4.762 -7.850 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.190 6.345 -7.037 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.983 5.122 -6.574 1.00 0.00 H new ATOM 702 N GLY A 49 -1.473 4.823 -8.519 1.00 0.00 N ATOM 703 CA GLY A 49 -2.364 3.784 -9.002 1.00 0.00 C ATOM 704 C GLY A 49 -2.450 2.606 -8.051 1.00 0.00 C ATOM 705 O GLY A 49 -2.646 1.468 -8.478 1.00 0.00 O ATOM 0 H GLY A 49 -1.858 5.407 -7.776 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.360 4.203 -9.148 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.018 3.437 -9.976 1.00 0.00 H new ATOM 709 N VAL A 50 -2.300 2.879 -6.759 1.00 0.00 N ATOM 710 CA VAL A 50 -2.361 1.833 -5.745 1.00 0.00 C ATOM 711 C VAL A 50 -3.715 1.824 -5.044 1.00 0.00 C ATOM 712 O VAL A 50 -4.160 2.845 -4.518 1.00 0.00 O ATOM 713 CB VAL A 50 -1.251 2.007 -4.692 1.00 0.00 C ATOM 714 CG1 VAL A 50 -1.274 3.416 -4.119 1.00 0.00 C ATOM 715 CG2 VAL A 50 -1.398 0.971 -3.587 1.00 0.00 C ATOM 0 H VAL A 50 -2.135 3.815 -6.390 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.217 0.884 -6.261 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.287 1.854 -5.177 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.483 3.520 -3.377 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.116 4.137 -4.921 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.239 3.602 -3.648 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.605 1.109 -2.852 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.367 1.091 -3.103 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.327 -0.029 -4.014 1.00 0.00 H new ATOM 725 N LEU A 51 -4.365 0.666 -5.040 1.00 0.00 N ATOM 726 CA LEU A 51 -5.669 0.523 -4.403 1.00 0.00 C ATOM 727 C LEU A 51 -5.523 0.021 -2.970 1.00 0.00 C ATOM 728 O LEU A 51 -4.638 -0.780 -2.670 1.00 0.00 O ATOM 729 CB LEU A 51 -6.549 -0.437 -5.205 1.00 0.00 C ATOM 730 CG LEU A 51 -7.175 0.131 -6.479 1.00 0.00 C ATOM 731 CD1 LEU A 51 -7.710 -0.990 -7.356 1.00 0.00 C ATOM 732 CD2 LEU A 51 -8.282 1.117 -6.135 1.00 0.00 C ATOM 0 H LEU A 51 -4.010 -0.188 -5.471 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.143 1.504 -4.378 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.950 -1.307 -5.475 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.351 -0.791 -4.557 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.403 0.662 -7.035 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.152 -0.567 -8.258 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.894 -1.658 -7.631 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.468 -1.550 -6.809 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.716 1.511 -7.054 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.054 0.610 -5.557 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.869 1.937 -5.548 1.00 0.00 H new ATOM 744 N ALA A 52 -6.399 0.495 -2.090 1.00 0.00 N ATOM 745 CA ALA A 52 -6.370 0.090 -0.690 1.00 0.00 C ATOM 746 C ALA A 52 -6.672 -1.397 -0.542 1.00 0.00 C ATOM 747 O ALA A 52 -7.177 -2.033 -1.467 1.00 0.00 O ATOM 748 CB ALA A 52 -7.362 0.915 0.118 1.00 0.00 C ATOM 0 H ALA A 52 -7.137 1.160 -2.322 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.366 0.270 -0.306 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.330 0.602 1.162 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.100 1.971 0.047 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.367 0.763 -0.276 1.00 0.00 H new ATOM 754 N ASP A 53 -6.358 -1.946 0.627 1.00 0.00 N ATOM 755 CA ASP A 53 -6.596 -3.359 0.896 1.00 0.00 C ATOM 756 C ASP A 53 -5.902 -4.235 -0.143 1.00 0.00 C ATOM 757 O ASP A 53 -6.399 -5.302 -0.502 1.00 0.00 O ATOM 758 CB ASP A 53 -8.097 -3.653 0.907 1.00 0.00 C ATOM 759 CG ASP A 53 -8.457 -4.797 1.834 1.00 0.00 C ATOM 760 OD1 ASP A 53 -8.331 -4.626 3.064 1.00 0.00 O ATOM 761 OD2 ASP A 53 -8.863 -5.865 1.329 1.00 0.00 O ATOM 0 H ASP A 53 -5.938 -1.434 1.403 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.181 -3.591 1.877 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.637 -2.757 1.214 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.425 -3.892 -0.105 1.00 0.00 H new ATOM 766 N ASP A 54 -4.751 -3.775 -0.622 1.00 0.00 N ATOM 767 CA ASP A 54 -3.988 -4.516 -1.620 1.00 0.00 C ATOM 768 C ASP A 54 -2.865 -5.313 -0.963 1.00 0.00 C ATOM 769 O ASP A 54 -1.886 -4.744 -0.480 1.00 0.00 O ATOM 770 CB ASP A 54 -3.409 -3.560 -2.663 1.00 0.00 C ATOM 771 CG ASP A 54 -4.373 -3.293 -3.803 1.00 0.00 C ATOM 772 OD1 ASP A 54 -5.576 -3.100 -3.529 1.00 0.00 O ATOM 773 OD2 ASP A 54 -3.925 -3.279 -4.969 1.00 0.00 O ATOM 0 H ASP A 54 -4.326 -2.893 -0.335 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.664 -5.214 -2.114 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.149 -2.617 -2.182 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.486 -3.979 -3.063 1.00 0.00 H new ATOM 778 N HIS A 55 -3.014 -6.634 -0.948 1.00 0.00 N ATOM 779 CA HIS A 55 -2.012 -7.509 -0.350 1.00 0.00 C ATOM 780 C HIS A 55 -0.634 -7.247 -0.950 1.00 0.00 C ATOM 781 O HIS A 55 -0.383 -7.559 -2.115 1.00 0.00 O ATOM 782 CB HIS A 55 -2.399 -8.975 -0.553 1.00 0.00 C ATOM 783 CG HIS A 55 -1.365 -9.940 -0.063 1.00 0.00 C ATOM 784 ND1 HIS A 55 -1.283 -11.244 -0.505 1.00 0.00 N ATOM 785 CD2 HIS A 55 -0.364 -9.786 0.835 1.00 0.00 C ATOM 786 CE1 HIS A 55 -0.278 -11.850 0.101 1.00 0.00 C ATOM 787 NE2 HIS A 55 0.297 -10.987 0.920 1.00 0.00 N ATOM 0 H HIS A 55 -3.818 -7.121 -1.343 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.970 -7.296 0.718 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.339 -9.169 -0.036 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.576 -9.152 -1.614 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -0.129 -8.886 1.383 1.00 0.00 H new ATOM 0 HE1 HIS A 55 0.023 -12.877 -0.048 1.00 0.00 H new ATOM 0 HE2 HIS A 55 1.100 -11.181 1.518 1.00 0.00 H new ATOM 796 N LEU A 56 0.255 -6.673 -0.148 1.00 0.00 N ATOM 797 CA LEU A 56 1.608 -6.368 -0.600 1.00 0.00 C ATOM 798 C LEU A 56 2.322 -7.630 -1.072 1.00 0.00 C ATOM 799 O LEU A 56 2.299 -8.658 -0.394 1.00 0.00 O ATOM 800 CB LEU A 56 2.406 -5.708 0.526 1.00 0.00 C ATOM 801 CG LEU A 56 3.423 -4.650 0.097 1.00 0.00 C ATOM 802 CD1 LEU A 56 2.790 -3.267 0.102 1.00 0.00 C ATOM 803 CD2 LEU A 56 4.643 -4.683 1.006 1.00 0.00 C ATOM 0 H LEU A 56 0.064 -6.409 0.819 1.00 0.00 H new ATOM 0 HA LEU A 56 1.537 -5.677 -1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.703 -5.247 1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.933 -6.488 1.076 1.00 0.00 H new ATOM 0 HG LEU A 56 3.746 -4.876 -0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.529 -2.527 -0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.949 -3.249 -0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.438 -3.032 1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.356 -3.923 0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.337 -4.483 2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.111 -5.666 0.951 1.00 0.00 H new ATOM 815 N ILE A 57 2.956 -7.545 -2.236 1.00 0.00 N ATOM 816 CA ILE A 57 3.680 -8.679 -2.797 1.00 0.00 C ATOM 817 C ILE A 57 5.182 -8.533 -2.584 1.00 0.00 C ATOM 818 O ILE A 57 5.843 -9.453 -2.103 1.00 0.00 O ATOM 819 CB ILE A 57 3.399 -8.837 -4.303 1.00 0.00 C ATOM 820 CG1 ILE A 57 1.892 -8.906 -4.559 1.00 0.00 C ATOM 821 CG2 ILE A 57 4.091 -10.080 -4.843 1.00 0.00 C ATOM 822 CD1 ILE A 57 1.295 -10.269 -4.287 1.00 0.00 C ATOM 0 H ILE A 57 2.983 -6.702 -2.810 1.00 0.00 H new ATOM 0 HA ILE A 57 3.327 -9.568 -2.275 1.00 0.00 H new ATOM 0 HB ILE A 57 3.797 -7.967 -4.825 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.391 -8.167 -3.933 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.695 -8.632 -5.595 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.883 -10.178 -5.908 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.167 -9.993 -4.690 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.720 -10.960 -4.318 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.224 -10.244 -4.489 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.769 -11.009 -4.932 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.461 -10.537 -3.244 1.00 0.00 H new ATOM 834 N GLU A 58 5.715 -7.369 -2.944 1.00 0.00 N ATOM 835 CA GLU A 58 7.140 -7.102 -2.791 1.00 0.00 C ATOM 836 C GLU A 58 7.416 -5.601 -2.794 1.00 0.00 C ATOM 837 O GLU A 58 6.507 -4.792 -2.981 1.00 0.00 O ATOM 838 CB GLU A 58 7.932 -7.779 -3.912 1.00 0.00 C ATOM 839 CG GLU A 58 7.594 -7.255 -5.298 1.00 0.00 C ATOM 840 CD GLU A 58 8.214 -5.900 -5.576 1.00 0.00 C ATOM 841 OE1 GLU A 58 7.579 -4.878 -5.242 1.00 0.00 O ATOM 842 OE2 GLU A 58 9.333 -5.861 -6.129 1.00 0.00 O ATOM 0 H GLU A 58 5.181 -6.597 -3.343 1.00 0.00 H new ATOM 0 HA GLU A 58 7.459 -7.511 -1.832 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.997 -7.638 -3.729 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.743 -8.852 -3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.939 -7.969 -6.046 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.511 -7.183 -5.401 1.00 0.00 H new ATOM 849 N VAL A 59 8.677 -5.237 -2.584 1.00 0.00 N ATOM 850 CA VAL A 59 9.074 -3.834 -2.562 1.00 0.00 C ATOM 851 C VAL A 59 10.447 -3.642 -3.196 1.00 0.00 C ATOM 852 O VAL A 59 11.423 -4.270 -2.789 1.00 0.00 O ATOM 853 CB VAL A 59 9.102 -3.281 -1.125 1.00 0.00 C ATOM 854 CG1 VAL A 59 9.481 -1.808 -1.126 1.00 0.00 C ATOM 855 CG2 VAL A 59 7.758 -3.494 -0.446 1.00 0.00 C ATOM 0 H VAL A 59 9.441 -5.894 -2.427 1.00 0.00 H new ATOM 0 HA VAL A 59 8.330 -3.285 -3.140 1.00 0.00 H new ATOM 0 HB VAL A 59 9.859 -3.825 -0.560 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.495 -1.435 -0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.469 -1.687 -1.570 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.751 -1.245 -1.707 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.796 -3.097 0.569 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.980 -2.978 -1.009 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.533 -4.560 -0.411 1.00 0.00 H new ATOM 865 N ASN A 60 10.514 -2.767 -4.195 1.00 0.00 N ATOM 866 CA ASN A 60 11.768 -2.491 -4.886 1.00 0.00 C ATOM 867 C ASN A 60 12.421 -3.784 -5.366 1.00 0.00 C ATOM 868 O ASN A 60 13.645 -3.892 -5.418 1.00 0.00 O ATOM 869 CB ASN A 60 12.727 -1.735 -3.964 1.00 0.00 C ATOM 870 CG ASN A 60 12.421 -0.251 -3.904 1.00 0.00 C ATOM 871 OD1 ASN A 60 12.216 0.394 -4.932 1.00 0.00 O ATOM 872 ND2 ASN A 60 12.389 0.298 -2.695 1.00 0.00 N ATOM 0 H ASN A 60 9.715 -2.238 -4.543 1.00 0.00 H new ATOM 0 HA ASN A 60 11.546 -1.872 -5.755 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.669 -2.156 -2.960 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.750 -1.879 -4.312 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.188 1.293 -2.592 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.565 -0.275 -1.870 1.00 0.00 H new ATOM 879 N GLY A 61 11.593 -4.764 -5.717 1.00 0.00 N ATOM 880 CA GLY A 61 12.107 -6.036 -6.189 1.00 0.00 C ATOM 881 C GLY A 61 12.509 -6.956 -5.053 1.00 0.00 C ATOM 882 O GLY A 61 13.477 -7.708 -5.169 1.00 0.00 O ATOM 0 H GLY A 61 10.576 -4.699 -5.683 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.349 -6.527 -6.799 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.969 -5.860 -6.832 1.00 0.00 H new ATOM 886 N GLU A 62 11.766 -6.896 -3.953 1.00 0.00 N ATOM 887 CA GLU A 62 12.054 -7.729 -2.791 1.00 0.00 C ATOM 888 C GLU A 62 10.789 -8.423 -2.293 1.00 0.00 C ATOM 889 O GLU A 62 9.894 -7.784 -1.741 1.00 0.00 O ATOM 890 CB GLU A 62 12.661 -6.885 -1.668 1.00 0.00 C ATOM 891 CG GLU A 62 13.974 -6.221 -2.048 1.00 0.00 C ATOM 892 CD GLU A 62 14.529 -5.347 -0.940 1.00 0.00 C ATOM 893 OE1 GLU A 62 13.954 -4.267 -0.692 1.00 0.00 O ATOM 894 OE2 GLU A 62 15.537 -5.745 -0.320 1.00 0.00 O ATOM 0 H GLU A 62 10.961 -6.280 -3.842 1.00 0.00 H new ATOM 0 HA GLU A 62 12.773 -8.491 -3.092 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.946 -6.116 -1.376 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.823 -7.518 -0.796 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.705 -6.989 -2.300 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.825 -5.616 -2.942 1.00 0.00 H new ATOM 901 N ASN A 63 10.724 -9.735 -2.492 1.00 0.00 N ATOM 902 CA ASN A 63 9.570 -10.517 -2.064 1.00 0.00 C ATOM 903 C ASN A 63 9.351 -10.386 -0.560 1.00 0.00 C ATOM 904 O ASN A 63 10.129 -10.906 0.239 1.00 0.00 O ATOM 905 CB ASN A 63 9.758 -11.989 -2.438 1.00 0.00 C ATOM 906 CG ASN A 63 8.825 -12.904 -1.668 1.00 0.00 C ATOM 907 OD1 ASN A 63 9.266 -13.835 -0.994 1.00 0.00 O ATOM 908 ND2 ASN A 63 7.526 -12.643 -1.766 1.00 0.00 N ATOM 0 H ASN A 63 11.457 -10.279 -2.947 1.00 0.00 H new ATOM 0 HA ASN A 63 8.689 -10.129 -2.576 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.585 -12.115 -3.507 1.00 0.00 H new ATOM 0 HB3 ASN A 63 10.790 -12.281 -2.245 1.00 0.00 H new ATOM 0 HD21 ASN A 63 6.850 -13.225 -1.271 1.00 0.00 H new ATOM 0 HD22 ASN A 63 7.205 -11.861 -2.336 1.00 0.00 H new ATOM 915 N VAL A 64 8.285 -9.688 -0.181 1.00 0.00 N ATOM 916 CA VAL A 64 7.962 -9.489 1.226 1.00 0.00 C ATOM 917 C VAL A 64 6.535 -9.932 1.530 1.00 0.00 C ATOM 918 O VAL A 64 5.963 -9.557 2.553 1.00 0.00 O ATOM 919 CB VAL A 64 8.129 -8.015 1.638 1.00 0.00 C ATOM 920 CG1 VAL A 64 9.449 -7.463 1.124 1.00 0.00 C ATOM 921 CG2 VAL A 64 6.960 -7.184 1.130 1.00 0.00 C ATOM 0 H VAL A 64 7.630 -9.251 -0.830 1.00 0.00 H new ATOM 0 HA VAL A 64 8.659 -10.099 1.800 1.00 0.00 H new ATOM 0 HB VAL A 64 8.139 -7.959 2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.549 -6.420 1.425 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.273 -8.042 1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.473 -7.531 0.036 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.095 -6.145 1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.916 -7.245 0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.031 -7.566 1.553 1.00 0.00 H new ATOM 931 N GLU A 65 5.966 -10.733 0.634 1.00 0.00 N ATOM 932 CA GLU A 65 4.605 -11.227 0.808 1.00 0.00 C ATOM 933 C GLU A 65 4.339 -11.588 2.266 1.00 0.00 C ATOM 934 O GLU A 65 3.277 -11.281 2.809 1.00 0.00 O ATOM 935 CB GLU A 65 4.364 -12.447 -0.084 1.00 0.00 C ATOM 936 CG GLU A 65 4.007 -12.092 -1.518 1.00 0.00 C ATOM 937 CD GLU A 65 3.623 -13.306 -2.341 1.00 0.00 C ATOM 938 OE1 GLU A 65 4.336 -14.328 -2.260 1.00 0.00 O ATOM 939 OE2 GLU A 65 2.609 -13.234 -3.066 1.00 0.00 O ATOM 0 H GLU A 65 6.426 -11.053 -0.218 1.00 0.00 H new ATOM 0 HA GLU A 65 3.917 -10.432 0.518 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.259 -13.069 -0.085 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.560 -13.046 0.344 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.180 -11.382 -1.517 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.855 -11.593 -1.987 1.00 0.00 H new ATOM 946 N ASP A 66 5.309 -12.243 2.893 1.00 0.00 N ATOM 947 CA ASP A 66 5.181 -12.647 4.289 1.00 0.00 C ATOM 948 C ASP A 66 6.302 -12.049 5.133 1.00 0.00 C ATOM 949 O ASP A 66 6.949 -12.750 5.910 1.00 0.00 O ATOM 950 CB ASP A 66 5.197 -14.172 4.404 1.00 0.00 C ATOM 951 CG ASP A 66 4.209 -14.834 3.465 1.00 0.00 C ATOM 952 OD1 ASP A 66 3.248 -14.158 3.043 1.00 0.00 O ATOM 953 OD2 ASP A 66 4.396 -16.029 3.152 1.00 0.00 O ATOM 0 H ASP A 66 6.193 -12.506 2.457 1.00 0.00 H new ATOM 0 HA ASP A 66 4.229 -12.272 4.664 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.200 -14.539 4.188 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.966 -14.458 5.430 1.00 0.00 H new ATOM 958 N ALA A 67 6.526 -10.748 4.973 1.00 0.00 N ATOM 959 CA ALA A 67 7.568 -10.056 5.721 1.00 0.00 C ATOM 960 C ALA A 67 6.977 -9.269 6.886 1.00 0.00 C ATOM 961 O ALA A 67 5.882 -8.718 6.783 1.00 0.00 O ATOM 962 CB ALA A 67 8.352 -9.131 4.801 1.00 0.00 C ATOM 0 H ALA A 67 6.000 -10.153 4.333 1.00 0.00 H new ATOM 0 HA ALA A 67 8.246 -10.805 6.129 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.127 -8.620 5.373 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.814 -9.715 4.005 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.677 -8.394 4.365 1.00 0.00 H new ATOM 968 N SER A 68 7.710 -9.223 7.995 1.00 0.00 N ATOM 969 CA SER A 68 7.255 -8.508 9.182 1.00 0.00 C ATOM 970 C SER A 68 7.089 -7.020 8.889 1.00 0.00 C ATOM 971 O SER A 68 7.793 -6.458 8.050 1.00 0.00 O ATOM 972 CB SER A 68 8.245 -8.705 10.332 1.00 0.00 C ATOM 973 OG SER A 68 8.331 -10.070 10.701 1.00 0.00 O ATOM 0 H SER A 68 8.620 -9.672 8.096 1.00 0.00 H new ATOM 0 HA SER A 68 6.286 -8.914 9.472 1.00 0.00 H new ATOM 0 HB2 SER A 68 9.229 -8.342 10.035 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.932 -8.112 11.191 1.00 0.00 H new ATOM 0 HG SER A 68 9.135 -10.466 10.305 1.00 0.00 H new ATOM 979 N HIS A 69 6.151 -6.387 9.586 1.00 0.00 N ATOM 980 CA HIS A 69 5.890 -4.964 9.402 1.00 0.00 C ATOM 981 C HIS A 69 7.158 -4.146 9.632 1.00 0.00 C ATOM 982 O HIS A 69 7.293 -3.037 9.116 1.00 0.00 O ATOM 983 CB HIS A 69 4.789 -4.498 10.355 1.00 0.00 C ATOM 984 CG HIS A 69 4.204 -3.168 9.990 1.00 0.00 C ATOM 985 ND1 HIS A 69 3.352 -2.468 10.818 1.00 0.00 N ATOM 986 CD2 HIS A 69 4.354 -2.410 8.879 1.00 0.00 C ATOM 987 CE1 HIS A 69 3.003 -1.337 10.231 1.00 0.00 C ATOM 988 NE2 HIS A 69 3.597 -1.278 9.053 1.00 0.00 N ATOM 0 H HIS A 69 5.559 -6.837 10.284 1.00 0.00 H new ATOM 0 HA HIS A 69 5.560 -4.810 8.375 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.994 -5.243 10.371 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.194 -4.443 11.365 1.00 0.00 H new ATOM 0 HD1 HIS A 69 3.040 -2.775 11.739 1.00 0.00 H new ATOM 0 HD2 HIS A 69 4.957 -2.651 8.016 1.00 0.00 H new ATOM 0 HE1 HIS A 69 2.344 -0.588 10.644 1.00 0.00 H new ATOM 997 N GLU A 70 8.082 -4.701 10.410 1.00 0.00 N ATOM 998 CA GLU A 70 9.337 -4.021 10.708 1.00 0.00 C ATOM 999 C GLU A 70 10.364 -4.266 9.606 1.00 0.00 C ATOM 1000 O GLU A 70 11.306 -3.492 9.439 1.00 0.00 O ATOM 1001 CB GLU A 70 9.893 -4.496 12.052 1.00 0.00 C ATOM 1002 CG GLU A 70 9.051 -4.068 13.243 1.00 0.00 C ATOM 1003 CD GLU A 70 8.552 -2.642 13.123 1.00 0.00 C ATOM 1004 OE1 GLU A 70 9.334 -1.774 12.683 1.00 0.00 O ATOM 1005 OE2 GLU A 70 7.378 -2.394 13.469 1.00 0.00 O ATOM 0 H GLU A 70 7.985 -5.619 10.845 1.00 0.00 H new ATOM 0 HA GLU A 70 9.136 -2.951 10.763 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.967 -5.583 12.042 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.905 -4.109 12.175 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.198 -4.740 13.341 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.641 -4.167 14.154 1.00 0.00 H new ATOM 1012 N GLU A 71 10.174 -5.348 8.858 1.00 0.00 N ATOM 1013 CA GLU A 71 11.084 -5.696 7.773 1.00 0.00 C ATOM 1014 C GLU A 71 10.827 -4.824 6.547 1.00 0.00 C ATOM 1015 O GLU A 71 11.760 -4.414 5.856 1.00 0.00 O ATOM 1016 CB GLU A 71 10.932 -7.173 7.403 1.00 0.00 C ATOM 1017 CG GLU A 71 11.565 -8.120 8.408 1.00 0.00 C ATOM 1018 CD GLU A 71 11.217 -9.571 8.142 1.00 0.00 C ATOM 1019 OE1 GLU A 71 11.337 -10.007 6.978 1.00 0.00 O ATOM 1020 OE2 GLU A 71 10.824 -10.272 9.098 1.00 0.00 O ATOM 0 H GLU A 71 9.398 -5.999 8.983 1.00 0.00 H new ATOM 0 HA GLU A 71 12.103 -5.519 8.117 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.872 -7.409 7.312 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.381 -7.342 6.424 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.648 -8.000 8.383 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.238 -7.850 9.412 1.00 0.00 H new ATOM 1027 N VAL A 72 9.555 -4.545 6.282 1.00 0.00 N ATOM 1028 CA VAL A 72 9.174 -3.722 5.141 1.00 0.00 C ATOM 1029 C VAL A 72 9.427 -2.245 5.419 1.00 0.00 C ATOM 1030 O VAL A 72 10.157 -1.580 4.685 1.00 0.00 O ATOM 1031 CB VAL A 72 7.690 -3.918 4.778 1.00 0.00 C ATOM 1032 CG1 VAL A 72 7.296 -3.006 3.626 1.00 0.00 C ATOM 1033 CG2 VAL A 72 7.413 -5.374 4.434 1.00 0.00 C ATOM 0 H VAL A 72 8.770 -4.877 6.843 1.00 0.00 H new ATOM 0 HA VAL A 72 9.791 -4.041 4.301 1.00 0.00 H new ATOM 0 HB VAL A 72 7.085 -3.651 5.644 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.244 -3.159 3.384 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.455 -1.967 3.914 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.906 -3.238 2.753 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.360 -5.494 4.180 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.027 -5.670 3.584 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.653 -6.003 5.291 1.00 0.00 H new ATOM 1043 N VAL A 73 8.818 -1.737 6.486 1.00 0.00 N ATOM 1044 CA VAL A 73 8.978 -0.338 6.864 1.00 0.00 C ATOM 1045 C VAL A 73 10.408 0.135 6.628 1.00 0.00 C ATOM 1046 O VAL A 73 10.633 1.188 6.033 1.00 0.00 O ATOM 1047 CB VAL A 73 8.611 -0.110 8.342 1.00 0.00 C ATOM 1048 CG1 VAL A 73 9.404 -1.047 9.240 1.00 0.00 C ATOM 1049 CG2 VAL A 73 8.848 1.342 8.732 1.00 0.00 C ATOM 0 H VAL A 73 8.209 -2.274 7.104 1.00 0.00 H new ATOM 0 HA VAL A 73 8.299 0.239 6.236 1.00 0.00 H new ATOM 0 HB VAL A 73 7.551 -0.330 8.473 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.131 -0.871 10.281 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.180 -2.080 8.976 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.470 -0.862 9.108 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.583 1.485 9.780 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.899 1.591 8.586 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.231 1.991 8.110 1.00 0.00 H new ATOM 1059 N GLU A 74 11.371 -0.652 7.098 1.00 0.00 N ATOM 1060 CA GLU A 74 12.780 -0.313 6.937 1.00 0.00 C ATOM 1061 C GLU A 74 13.205 -0.430 5.476 1.00 0.00 C ATOM 1062 O GLU A 74 13.897 0.440 4.948 1.00 0.00 O ATOM 1063 CB GLU A 74 13.649 -1.224 7.807 1.00 0.00 C ATOM 1064 CG GLU A 74 13.693 -2.664 7.325 1.00 0.00 C ATOM 1065 CD GLU A 74 14.612 -3.532 8.163 1.00 0.00 C ATOM 1066 OE1 GLU A 74 15.835 -3.281 8.155 1.00 0.00 O ATOM 1067 OE2 GLU A 74 14.108 -4.462 8.827 1.00 0.00 O ATOM 0 H GLU A 74 11.201 -1.528 7.593 1.00 0.00 H new ATOM 0 HA GLU A 74 12.917 0.720 7.255 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.664 -0.827 7.833 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.272 -1.203 8.830 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.686 -3.081 7.346 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.025 -2.686 6.287 1.00 0.00 H new ATOM 1074 N LYS A 75 12.786 -1.512 4.829 1.00 0.00 N ATOM 1075 CA LYS A 75 13.121 -1.745 3.430 1.00 0.00 C ATOM 1076 C LYS A 75 12.683 -0.569 2.562 1.00 0.00 C ATOM 1077 O LYS A 75 13.379 -0.185 1.622 1.00 0.00 O ATOM 1078 CB LYS A 75 12.460 -3.032 2.933 1.00 0.00 C ATOM 1079 CG LYS A 75 13.190 -4.294 3.358 1.00 0.00 C ATOM 1080 CD LYS A 75 12.333 -5.532 3.151 1.00 0.00 C ATOM 1081 CE LYS A 75 13.186 -6.763 2.887 1.00 0.00 C ATOM 1082 NZ LYS A 75 13.709 -6.786 1.493 1.00 0.00 N ATOM 0 H LYS A 75 12.213 -2.242 5.252 1.00 0.00 H new ATOM 0 HA LYS A 75 14.204 -1.847 3.354 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.436 -3.072 3.305 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.403 -3.004 1.845 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.114 -4.391 2.787 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.471 -4.216 4.408 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.714 -5.699 4.033 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.656 -5.371 2.312 1.00 0.00 H new ATOM 0 HE2 LYS A 75 14.020 -6.784 3.588 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.595 -7.660 3.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.890 -7.769 1.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.008 -6.362 0.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.595 -6.243 1.446 1.00 0.00 H new ATOM 1096 N VAL A 76 11.526 0.001 2.886 1.00 0.00 N ATOM 1097 CA VAL A 76 10.997 1.135 2.138 1.00 0.00 C ATOM 1098 C VAL A 76 11.896 2.357 2.284 1.00 0.00 C ATOM 1099 O VAL A 76 12.212 3.031 1.303 1.00 0.00 O ATOM 1100 CB VAL A 76 9.575 1.499 2.603 1.00 0.00 C ATOM 1101 CG1 VAL A 76 9.141 2.828 2.003 1.00 0.00 C ATOM 1102 CG2 VAL A 76 8.595 0.394 2.236 1.00 0.00 C ATOM 0 H VAL A 76 10.938 -0.304 3.661 1.00 0.00 H new ATOM 0 HA VAL A 76 10.963 0.836 1.090 1.00 0.00 H new ATOM 0 HB VAL A 76 9.582 1.602 3.688 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.134 3.069 2.343 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.828 3.612 2.320 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.150 2.756 0.915 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.595 0.668 2.572 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.589 0.257 1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 76 8.898 -0.536 2.718 1.00 0.00 H new ATOM 1112 N LYS A 77 12.307 2.639 3.516 1.00 0.00 N ATOM 1113 CA LYS A 77 13.173 3.779 3.792 1.00 0.00 C ATOM 1114 C LYS A 77 14.528 3.611 3.113 1.00 0.00 C ATOM 1115 O LYS A 77 14.979 4.490 2.378 1.00 0.00 O ATOM 1116 CB LYS A 77 13.364 3.947 5.301 1.00 0.00 C ATOM 1117 CG LYS A 77 12.069 4.195 6.054 1.00 0.00 C ATOM 1118 CD LYS A 77 12.319 4.900 7.377 1.00 0.00 C ATOM 1119 CE LYS A 77 11.222 4.598 8.386 1.00 0.00 C ATOM 1120 NZ LYS A 77 11.489 3.339 9.136 1.00 0.00 N ATOM 0 H LYS A 77 12.054 2.093 4.340 1.00 0.00 H new ATOM 0 HA LYS A 77 12.694 4.672 3.391 1.00 0.00 H new ATOM 0 HB2 LYS A 77 13.841 3.052 5.700 1.00 0.00 H new ATOM 0 HB3 LYS A 77 14.045 4.779 5.482 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.400 4.798 5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 77 11.565 3.246 6.236 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.282 4.587 7.781 1.00 0.00 H new ATOM 0 HD3 LYS A 77 12.377 5.976 7.212 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.136 5.427 9.088 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.266 4.517 7.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.653 3.087 9.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.697 2.572 8.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 12.304 3.477 9.767 1.00 0.00 H new ATOM 1134 N LYS A 78 15.173 2.476 3.362 1.00 0.00 N ATOM 1135 CA LYS A 78 16.475 2.191 2.772 1.00 0.00 C ATOM 1136 C LYS A 78 16.464 2.458 1.271 1.00 0.00 C ATOM 1137 O LYS A 78 17.421 3.001 0.720 1.00 0.00 O ATOM 1138 CB LYS A 78 16.871 0.737 3.039 1.00 0.00 C ATOM 1139 CG LYS A 78 17.113 0.432 4.508 1.00 0.00 C ATOM 1140 CD LYS A 78 17.808 -0.907 4.692 1.00 0.00 C ATOM 1141 CE LYS A 78 17.566 -1.473 6.083 1.00 0.00 C ATOM 1142 NZ LYS A 78 18.148 -0.605 7.144 1.00 0.00 N ATOM 0 H LYS A 78 14.815 1.739 3.969 1.00 0.00 H new ATOM 0 HA LYS A 78 17.208 2.852 3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 78 16.085 0.081 2.665 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.775 0.506 2.475 1.00 0.00 H new ATOM 0 HG2 LYS A 78 17.721 1.222 4.949 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.162 0.426 5.041 1.00 0.00 H new ATOM 0 HD2 LYS A 78 17.447 -1.612 3.943 1.00 0.00 H new ATOM 0 HD3 LYS A 78 18.879 -0.788 4.527 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.494 -1.581 6.250 1.00 0.00 H new ATOM 0 HE3 LYS A 78 18.001 -2.470 6.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.037 -1.066 8.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 19.159 -0.453 6.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 17.656 0.311 7.152 1.00 0.00 H new ATOM 1156 N SER A 79 15.373 2.075 0.615 1.00 0.00 N ATOM 1157 CA SER A 79 15.238 2.271 -0.824 1.00 0.00 C ATOM 1158 C SER A 79 15.934 3.555 -1.265 1.00 0.00 C ATOM 1159 O SER A 79 16.695 3.561 -2.232 1.00 0.00 O ATOM 1160 CB SER A 79 13.760 2.319 -1.217 1.00 0.00 C ATOM 1161 OG SER A 79 13.610 2.516 -2.612 1.00 0.00 O ATOM 0 H SER A 79 14.570 1.627 1.057 1.00 0.00 H new ATOM 0 HA SER A 79 15.714 1.429 -1.327 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.272 1.390 -0.923 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.263 3.125 -0.677 1.00 0.00 H new ATOM 0 HG SER A 79 13.138 3.359 -2.774 1.00 0.00 H new ATOM 1167 N GLY A 80 15.668 4.642 -0.547 1.00 0.00 N ATOM 1168 CA GLY A 80 16.276 5.918 -0.879 1.00 0.00 C ATOM 1169 C GLY A 80 15.256 7.032 -1.000 1.00 0.00 C ATOM 1170 O GLY A 80 14.706 7.491 0.002 1.00 0.00 O ATOM 0 H GLY A 80 15.043 4.662 0.258 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.006 6.179 -0.113 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.820 5.824 -1.819 1.00 0.00 H new ATOM 1174 N SER A 81 15.003 7.471 -2.229 1.00 0.00 N ATOM 1175 CA SER A 81 14.046 8.543 -2.476 1.00 0.00 C ATOM 1176 C SER A 81 12.700 7.978 -2.920 1.00 0.00 C ATOM 1177 O SER A 81 11.656 8.328 -2.369 1.00 0.00 O ATOM 1178 CB SER A 81 14.586 9.501 -3.540 1.00 0.00 C ATOM 1179 OG SER A 81 15.807 10.088 -3.126 1.00 0.00 O ATOM 0 H SER A 81 15.448 7.101 -3.069 1.00 0.00 H new ATOM 0 HA SER A 81 13.901 9.090 -1.544 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.737 8.962 -4.476 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.852 10.282 -3.737 1.00 0.00 H new ATOM 0 HG SER A 81 16.132 10.694 -3.824 1.00 0.00 H new ATOM 1185 N ARG A 82 12.733 7.103 -3.919 1.00 0.00 N ATOM 1186 CA ARG A 82 11.517 6.490 -4.438 1.00 0.00 C ATOM 1187 C ARG A 82 11.504 4.989 -4.163 1.00 0.00 C ATOM 1188 O ARG A 82 12.533 4.399 -3.832 1.00 0.00 O ATOM 1189 CB ARG A 82 11.394 6.745 -5.942 1.00 0.00 C ATOM 1190 CG ARG A 82 12.381 5.947 -6.778 1.00 0.00 C ATOM 1191 CD ARG A 82 13.668 6.722 -7.012 1.00 0.00 C ATOM 1192 NE ARG A 82 14.662 6.459 -5.975 1.00 0.00 N ATOM 1193 CZ ARG A 82 15.176 5.257 -5.739 1.00 0.00 C ATOM 1194 NH1 ARG A 82 14.792 4.214 -6.462 1.00 0.00 N ATOM 1195 NH2 ARG A 82 16.077 5.096 -4.778 1.00 0.00 N ATOM 0 H ARG A 82 13.589 6.803 -4.385 1.00 0.00 H new ATOM 0 HA ARG A 82 10.666 6.942 -3.929 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.381 6.502 -6.261 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.543 7.807 -6.135 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.608 5.007 -6.276 1.00 0.00 H new ATOM 0 HG3 ARG A 82 11.927 5.695 -7.737 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.080 6.455 -7.985 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.448 7.789 -7.041 1.00 0.00 H new ATOM 0 HE ARG A 82 14.979 7.240 -5.401 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.100 4.333 -7.202 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.189 3.292 -6.278 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.376 5.896 -4.220 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.471 4.173 -4.598 1.00 0.00 H new ATOM 1209 N VAL A 83 10.332 4.377 -4.302 1.00 0.00 N ATOM 1210 CA VAL A 83 10.185 2.945 -4.069 1.00 0.00 C ATOM 1211 C VAL A 83 9.242 2.317 -5.089 1.00 0.00 C ATOM 1212 O VAL A 83 8.542 3.019 -5.817 1.00 0.00 O ATOM 1213 CB VAL A 83 9.656 2.658 -2.651 1.00 0.00 C ATOM 1214 CG1 VAL A 83 10.752 2.874 -1.619 1.00 0.00 C ATOM 1215 CG2 VAL A 83 8.447 3.531 -2.348 1.00 0.00 C ATOM 0 H VAL A 83 9.471 4.851 -4.575 1.00 0.00 H new ATOM 0 HA VAL A 83 11.176 2.503 -4.174 1.00 0.00 H new ATOM 0 HB VAL A 83 9.344 1.615 -2.601 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.360 2.667 -0.623 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.586 2.203 -1.828 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.097 3.907 -1.665 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.086 3.316 -1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.731 4.581 -2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.657 3.322 -3.070 1.00 0.00 H new ATOM 1225 N MET A 84 9.228 0.988 -5.134 1.00 0.00 N ATOM 1226 CA MET A 84 8.369 0.265 -6.063 1.00 0.00 C ATOM 1227 C MET A 84 7.510 -0.757 -5.326 1.00 0.00 C ATOM 1228 O MET A 84 8.021 -1.737 -4.782 1.00 0.00 O ATOM 1229 CB MET A 84 9.212 -0.436 -7.131 1.00 0.00 C ATOM 1230 CG MET A 84 8.399 -1.318 -8.065 1.00 0.00 C ATOM 1231 SD MET A 84 9.401 -2.576 -8.879 1.00 0.00 S ATOM 1232 CE MET A 84 10.587 -1.554 -9.749 1.00 0.00 C ATOM 0 H MET A 84 9.802 0.391 -4.538 1.00 0.00 H new ATOM 0 HA MET A 84 7.710 0.987 -6.546 1.00 0.00 H new ATOM 0 HB2 MET A 84 9.736 0.317 -7.720 1.00 0.00 H new ATOM 0 HB3 MET A 84 9.972 -1.044 -6.641 1.00 0.00 H new ATOM 0 HG2 MET A 84 7.603 -1.803 -7.500 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.920 -0.696 -8.821 1.00 0.00 H new ATOM 0 HE1 MET A 84 11.187 -2.177 -10.412 1.00 0.00 H new ATOM 0 HE2 MET A 84 10.059 -0.803 -10.336 1.00 0.00 H new ATOM 0 HE3 MET A 84 11.238 -1.059 -9.029 1.00 0.00 H new ATOM 1242 N PHE A 85 6.201 -0.523 -5.311 1.00 0.00 N ATOM 1243 CA PHE A 85 5.271 -1.423 -4.639 1.00 0.00 C ATOM 1244 C PHE A 85 4.464 -2.227 -5.653 1.00 0.00 C ATOM 1245 O PHE A 85 3.926 -1.675 -6.614 1.00 0.00 O ATOM 1246 CB PHE A 85 4.328 -0.631 -3.731 1.00 0.00 C ATOM 1247 CG PHE A 85 5.035 0.115 -2.636 1.00 0.00 C ATOM 1248 CD1 PHE A 85 5.871 -0.551 -1.755 1.00 0.00 C ATOM 1249 CD2 PHE A 85 4.863 1.482 -2.487 1.00 0.00 C ATOM 1250 CE1 PHE A 85 6.524 0.132 -0.746 1.00 0.00 C ATOM 1251 CE2 PHE A 85 5.513 2.170 -1.481 1.00 0.00 C ATOM 1252 CZ PHE A 85 6.343 1.494 -0.608 1.00 0.00 C ATOM 0 H PHE A 85 5.761 0.282 -5.757 1.00 0.00 H new ATOM 0 HA PHE A 85 5.851 -2.117 -4.031 1.00 0.00 H new ATOM 0 HB2 PHE A 85 3.764 0.078 -4.337 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.606 -1.315 -3.286 1.00 0.00 H new ATOM 0 HD1 PHE A 85 6.014 -1.617 -1.858 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.213 2.015 -3.165 1.00 0.00 H new ATOM 0 HE1 PHE A 85 7.175 -0.399 -0.067 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.372 3.236 -1.377 1.00 0.00 H new ATOM 0 HZ PHE A 85 6.850 2.030 0.181 1.00 0.00 H new ATOM 1262 N LEU A 86 4.383 -3.535 -5.433 1.00 0.00 N ATOM 1263 CA LEU A 86 3.642 -4.417 -6.327 1.00 0.00 C ATOM 1264 C LEU A 86 2.541 -5.157 -5.574 1.00 0.00 C ATOM 1265 O LEU A 86 2.817 -6.017 -4.737 1.00 0.00 O ATOM 1266 CB LEU A 86 4.589 -5.422 -6.985 1.00 0.00 C ATOM 1267 CG LEU A 86 3.942 -6.439 -7.926 1.00 0.00 C ATOM 1268 CD1 LEU A 86 3.753 -5.839 -9.311 1.00 0.00 C ATOM 1269 CD2 LEU A 86 4.780 -7.706 -8.001 1.00 0.00 C ATOM 0 H LEU A 86 4.822 -4.008 -4.643 1.00 0.00 H new ATOM 0 HA LEU A 86 3.179 -3.803 -7.100 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.343 -4.868 -7.544 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.112 -5.966 -6.199 1.00 0.00 H new ATOM 0 HG LEU A 86 2.961 -6.700 -7.529 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.291 -6.577 -9.967 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.110 -4.961 -9.243 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.722 -5.548 -9.717 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.304 -8.418 -8.675 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.775 -7.463 -8.374 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.863 -8.147 -7.008 1.00 0.00 H new ATOM 1281 N LEU A 87 1.293 -4.817 -5.877 1.00 0.00 N ATOM 1282 CA LEU A 87 0.149 -5.450 -5.230 1.00 0.00 C ATOM 1283 C LEU A 87 -0.918 -5.822 -6.254 1.00 0.00 C ATOM 1284 O LEU A 87 -0.785 -5.525 -7.441 1.00 0.00 O ATOM 1285 CB LEU A 87 -0.445 -4.518 -4.173 1.00 0.00 C ATOM 1286 CG LEU A 87 0.534 -3.551 -3.505 1.00 0.00 C ATOM 1287 CD1 LEU A 87 0.608 -2.245 -4.280 1.00 0.00 C ATOM 1288 CD2 LEU A 87 0.127 -3.294 -2.061 1.00 0.00 C ATOM 0 H LEU A 87 1.048 -4.107 -6.567 1.00 0.00 H new ATOM 0 HA LEU A 87 0.496 -6.363 -4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.241 -3.935 -4.637 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.908 -5.129 -3.398 1.00 0.00 H new ATOM 0 HG LEU A 87 1.524 -4.007 -3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.309 -1.570 -3.789 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.947 -2.444 -5.297 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.379 -1.783 -4.310 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.834 -2.604 -1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.872 -2.859 -2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.127 -4.235 -1.510 1.00 0.00 H new ATOM 1300 N VAL A 88 -1.979 -6.473 -5.786 1.00 0.00 N ATOM 1301 CA VAL A 88 -3.071 -6.883 -6.660 1.00 0.00 C ATOM 1302 C VAL A 88 -4.330 -6.068 -6.385 1.00 0.00 C ATOM 1303 O VAL A 88 -4.539 -5.585 -5.272 1.00 0.00 O ATOM 1304 CB VAL A 88 -3.395 -8.379 -6.490 1.00 0.00 C ATOM 1305 CG1 VAL A 88 -4.308 -8.859 -7.608 1.00 0.00 C ATOM 1306 CG2 VAL A 88 -2.114 -9.199 -6.449 1.00 0.00 C ATOM 0 H VAL A 88 -2.105 -6.727 -4.806 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.741 -6.704 -7.683 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.918 -8.514 -5.543 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.526 -9.918 -7.471 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.238 -8.292 -7.587 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.815 -8.712 -8.569 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.361 -10.254 -6.328 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.563 -9.059 -7.379 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.499 -8.872 -5.610 1.00 0.00 H new ATOM 1316 N ASP A 89 -5.167 -5.920 -7.406 1.00 0.00 N ATOM 1317 CA ASP A 89 -6.407 -5.164 -7.275 1.00 0.00 C ATOM 1318 C ASP A 89 -7.353 -5.840 -6.288 1.00 0.00 C ATOM 1319 O ASP A 89 -7.646 -7.030 -6.406 1.00 0.00 O ATOM 1320 CB ASP A 89 -7.089 -5.021 -8.637 1.00 0.00 C ATOM 1321 CG ASP A 89 -6.143 -4.513 -9.707 1.00 0.00 C ATOM 1322 OD1 ASP A 89 -5.492 -5.349 -10.369 1.00 0.00 O ATOM 1323 OD2 ASP A 89 -6.052 -3.280 -9.883 1.00 0.00 O ATOM 0 H ASP A 89 -5.009 -6.314 -8.334 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.161 -4.173 -6.895 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.492 -5.987 -8.941 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -7.933 -4.337 -8.548 1.00 0.00 H new ATOM 1328 N LYS A 90 -7.828 -5.073 -5.312 1.00 0.00 N ATOM 1329 CA LYS A 90 -8.741 -5.597 -4.302 1.00 0.00 C ATOM 1330 C LYS A 90 -9.868 -6.395 -4.950 1.00 0.00 C ATOM 1331 O LYS A 90 -10.477 -7.254 -4.314 1.00 0.00 O ATOM 1332 CB LYS A 90 -9.325 -4.452 -3.471 1.00 0.00 C ATOM 1333 CG LYS A 90 -10.274 -3.558 -4.249 1.00 0.00 C ATOM 1334 CD LYS A 90 -11.234 -2.826 -3.326 1.00 0.00 C ATOM 1335 CE LYS A 90 -12.469 -3.664 -3.030 1.00 0.00 C ATOM 1336 NZ LYS A 90 -12.282 -4.521 -1.827 1.00 0.00 N ATOM 0 H LYS A 90 -7.596 -4.086 -5.199 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.178 -6.262 -3.648 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.853 -4.869 -2.614 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.508 -3.846 -3.078 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.701 -2.834 -4.828 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.840 -4.159 -4.961 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -10.727 -2.580 -2.393 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.534 -1.883 -3.784 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -13.326 -3.007 -2.879 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.697 -4.292 -3.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.114 -4.438 -1.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.167 -5.512 -2.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.434 -4.213 -1.310 1.00 0.00 H new ATOM 1350 N GLU A 91 -10.139 -6.106 -6.219 1.00 0.00 N ATOM 1351 CA GLU A 91 -11.193 -6.798 -6.952 1.00 0.00 C ATOM 1352 C GLU A 91 -10.954 -8.305 -6.953 1.00 0.00 C ATOM 1353 O GLU A 91 -11.869 -9.091 -6.703 1.00 0.00 O ATOM 1354 CB GLU A 91 -11.268 -6.282 -8.390 1.00 0.00 C ATOM 1355 CG GLU A 91 -11.816 -4.869 -8.501 1.00 0.00 C ATOM 1356 CD GLU A 91 -13.325 -4.816 -8.367 1.00 0.00 C ATOM 1357 OE1 GLU A 91 -13.876 -5.583 -7.551 1.00 0.00 O ATOM 1358 OE2 GLU A 91 -13.955 -4.006 -9.079 1.00 0.00 O ATOM 0 H GLU A 91 -9.644 -5.398 -6.761 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.141 -6.597 -6.452 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.271 -6.312 -8.830 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -11.896 -6.953 -8.976 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.364 -4.247 -7.729 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.525 -4.445 -9.462 1.00 0.00 H new