USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 554 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 40 SER OG : rot 146:sc= 0.944 USER MOD Set 1.2: A 90 ASN :FLIP amide:sc= -3.18 F(o=-4.1!,f=-2.2) USER MOD Set 2.1: A 86 THR OG1 : rot 180:sc=-0.00429 USER MOD Set 2.2: A 88 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 63 LYS NZ :NH3+ -167:sc= -0.946 (180deg=-1.12) USER MOD Set 3.2: A 83 SER OG : rot 5:sc= 1.15 USER MOD Set 4.1: A 48 THR OG1 : rot 100:sc= -2.34! USER MOD Set 4.2: A 66 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 36 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 17 CYS SG : rot 180:sc= -0.481 USER MOD Set 6.2: A 20 SER OG : rot 180:sc= 0.0536 USER MOD Single : A 10 GLN : amide:sc= -4.02! C(o=-4!,f=-4.9!) USER MOD Single : A 12 SER OG : rot -164:sc= 1.07 USER MOD Single : A 14 ASN : amide:sc= -1.54 X(o=-1.5,f=-1.3) USER MOD Single : A 15 SER OG : rot 65:sc= -4.15! USER MOD Single : A 16 LYS NZ :NH3+ -131:sc= -0.553 (180deg=-1.31) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 27:sc= 0.773 USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.262) USER MOD Single : A 30 SER OG : rot -68:sc= -3.62! USER MOD Single : A 33 TYR OH : rot -119:sc= -0.188 USER MOD Single : A 35 THR OG1 : rot 77:sc= -0.954! USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -10:sc= 0.681 USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.52! USER MOD Single : A 50 SER OG : rot 73:sc= -0.0771! USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -20:sc= 0.97 USER MOD Single : A 53 THR OG1 : rot 30:sc= 0.62 USER MOD Single : A 55 SER OG : rot -110:sc= -1.03 USER MOD Single : A 58 SER OG : rot -130:sc= -0.779 USER MOD Single : A 65 SER OG : rot 40:sc= -1.07! USER MOD Single : A 70 THR OG1 : rot -20:sc= -0.0518 USER MOD Single : A 77 SER OG : rot -170:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -117:sc= -0.161 (180deg=-1.76) USER MOD ----------------------------------------------------------------- ATOM 110 N GLN A 10 50.054 -1.805 -4.633 1.00 0.00 N ATOM 111 CA GLN A 10 49.611 -2.732 -3.554 1.00 0.00 C ATOM 112 C GLN A 10 50.046 -2.180 -2.197 1.00 0.00 C ATOM 113 O GLN A 10 50.088 -2.885 -1.210 1.00 0.00 O ATOM 114 CB GLN A 10 50.302 -4.063 -3.841 1.00 0.00 C ATOM 115 CG GLN A 10 49.244 -5.162 -3.910 1.00 0.00 C ATOM 116 CD GLN A 10 49.582 -6.273 -2.914 1.00 0.00 C ATOM 117 OE1 GLN A 10 50.661 -6.833 -2.951 1.00 0.00 O ATOM 118 NE2 GLN A 10 48.697 -6.621 -2.019 1.00 0.00 N ATOM 0 HA GLN A 10 48.528 -2.849 -3.529 1.00 0.00 H new ATOM 0 HB2 GLN A 10 50.851 -4.008 -4.781 1.00 0.00 H new ATOM 0 HB3 GLN A 10 51.029 -4.287 -3.060 1.00 0.00 H new ATOM 0 HG2 GLN A 10 48.261 -4.747 -3.686 1.00 0.00 H new ATOM 0 HG3 GLN A 10 49.195 -5.569 -4.920 1.00 0.00 H new ATOM 0 HE21 GLN A 10 47.792 -6.152 -1.987 1.00 0.00 H new ATOM 0 HE22 GLN A 10 48.911 -7.362 -1.352 1.00 0.00 H new ATOM 127 N LEU A 11 50.366 -0.916 -2.152 1.00 0.00 N ATOM 128 CA LEU A 11 50.798 -0.292 -0.870 1.00 0.00 C ATOM 129 C LEU A 11 49.829 -0.675 0.242 1.00 0.00 C ATOM 130 O LEU A 11 48.838 -0.008 0.466 1.00 0.00 O ATOM 131 CB LEU A 11 50.748 1.217 -1.140 1.00 0.00 C ATOM 132 CG LEU A 11 51.590 1.974 -0.106 1.00 0.00 C ATOM 133 CD1 LEU A 11 52.901 1.228 0.153 1.00 0.00 C ATOM 134 CD2 LEU A 11 51.903 3.374 -0.642 1.00 0.00 C ATOM 0 H LEU A 11 50.347 -0.285 -2.953 1.00 0.00 H new ATOM 0 HA LEU A 11 51.789 -0.616 -0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 11 51.119 1.426 -2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 11 49.716 1.565 -1.103 1.00 0.00 H new ATOM 0 HG LEU A 11 51.031 2.047 0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 11 53.491 1.774 0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 11 52.683 0.230 0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 11 53.464 1.148 -0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 11 52.502 3.918 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 11 52.458 3.290 -1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 11 50.972 3.912 -0.821 1.00 0.00 H new ATOM 146 N SER A 12 50.107 -1.749 0.935 1.00 0.00 N ATOM 147 CA SER A 12 49.199 -2.183 2.039 1.00 0.00 C ATOM 148 C SER A 12 48.673 -0.957 2.793 1.00 0.00 C ATOM 149 O SER A 12 49.401 -0.024 3.070 1.00 0.00 O ATOM 150 CB SER A 12 50.060 -3.058 2.950 1.00 0.00 C ATOM 151 OG SER A 12 49.215 -3.879 3.747 1.00 0.00 O ATOM 0 H SER A 12 50.922 -2.344 0.785 1.00 0.00 H new ATOM 0 HA SER A 12 48.329 -2.728 1.672 1.00 0.00 H new ATOM 0 HB2 SER A 12 50.730 -3.677 2.353 1.00 0.00 H new ATOM 0 HB3 SER A 12 50.686 -2.434 3.587 1.00 0.00 H new ATOM 0 HG SER A 12 49.729 -4.248 4.495 1.00 0.00 H new ATOM 157 N ALA A 13 47.409 -0.945 3.111 1.00 0.00 N ATOM 158 CA ALA A 13 46.820 0.226 3.827 1.00 0.00 C ATOM 159 C ALA A 13 47.656 0.606 5.054 1.00 0.00 C ATOM 160 O ALA A 13 47.534 1.693 5.582 1.00 0.00 O ATOM 161 CB ALA A 13 45.428 -0.243 4.249 1.00 0.00 C ATOM 0 H ALA A 13 46.753 -1.699 2.906 1.00 0.00 H new ATOM 0 HA ALA A 13 46.789 1.115 3.197 1.00 0.00 H new ATOM 0 HB1 ALA A 13 44.921 0.559 4.785 1.00 0.00 H new ATOM 0 HB2 ALA A 13 44.850 -0.510 3.364 1.00 0.00 H new ATOM 0 HB3 ALA A 13 45.519 -1.113 4.899 1.00 0.00 H new ATOM 167 N ASN A 14 48.499 -0.275 5.517 1.00 0.00 N ATOM 168 CA ASN A 14 49.329 0.052 6.711 1.00 0.00 C ATOM 169 C ASN A 14 50.657 0.682 6.280 1.00 0.00 C ATOM 170 O ASN A 14 51.457 1.084 7.101 1.00 0.00 O ATOM 171 CB ASN A 14 49.567 -1.291 7.404 1.00 0.00 C ATOM 172 CG ASN A 14 50.049 -1.059 8.838 1.00 0.00 C ATOM 173 OD1 ASN A 14 49.391 -1.445 9.783 1.00 0.00 O ATOM 174 ND2 ASN A 14 51.177 -0.434 9.041 1.00 0.00 N ATOM 0 H ASN A 14 48.649 -1.204 5.122 1.00 0.00 H new ATOM 0 HA ASN A 14 48.841 0.770 7.370 1.00 0.00 H new ATOM 0 HB2 ASN A 14 48.647 -1.875 7.410 1.00 0.00 H new ATOM 0 HB3 ASN A 14 50.307 -1.869 6.851 1.00 0.00 H new ATOM 0 HD21 ASN A 14 51.505 -0.270 9.993 1.00 0.00 H new ATOM 0 HD22 ASN A 14 51.730 -0.110 8.248 1.00 0.00 H new ATOM 181 N SER A 15 50.899 0.777 4.998 1.00 0.00 N ATOM 182 CA SER A 15 52.171 1.384 4.526 1.00 0.00 C ATOM 183 C SER A 15 52.001 2.898 4.360 1.00 0.00 C ATOM 184 O SER A 15 51.136 3.505 4.961 1.00 0.00 O ATOM 185 CB SER A 15 52.449 0.712 3.184 1.00 0.00 C ATOM 186 OG SER A 15 53.532 -0.197 3.334 1.00 0.00 O ATOM 0 H SER A 15 50.269 0.460 4.261 1.00 0.00 H new ATOM 0 HA SER A 15 52.992 1.238 5.227 1.00 0.00 H new ATOM 0 HB2 SER A 15 51.561 0.184 2.837 1.00 0.00 H new ATOM 0 HB3 SER A 15 52.689 1.462 2.431 1.00 0.00 H new ATOM 0 HG SER A 15 53.270 -0.920 3.941 1.00 0.00 H new ATOM 192 N LYS A 16 52.822 3.513 3.557 1.00 0.00 N ATOM 193 CA LYS A 16 52.708 4.988 3.365 1.00 0.00 C ATOM 194 C LYS A 16 53.515 5.421 2.143 1.00 0.00 C ATOM 195 O LYS A 16 54.442 4.751 1.728 1.00 0.00 O ATOM 196 CB LYS A 16 53.294 5.589 4.644 1.00 0.00 C ATOM 197 CG LYS A 16 52.829 7.039 4.800 1.00 0.00 C ATOM 198 CD LYS A 16 53.999 7.903 5.277 1.00 0.00 C ATOM 199 CE LYS A 16 53.603 9.382 5.218 1.00 0.00 C ATOM 200 NZ LYS A 16 53.819 9.783 3.799 1.00 0.00 N ATOM 0 H LYS A 16 53.566 3.061 3.026 1.00 0.00 H new ATOM 0 HA LYS A 16 51.682 5.313 3.194 1.00 0.00 H new ATOM 0 HB2 LYS A 16 52.981 5.003 5.508 1.00 0.00 H new ATOM 0 HB3 LYS A 16 54.383 5.549 4.609 1.00 0.00 H new ATOM 0 HG2 LYS A 16 52.450 7.415 3.850 1.00 0.00 H new ATOM 0 HG3 LYS A 16 52.008 7.094 5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 16 54.274 7.630 6.296 1.00 0.00 H new ATOM 0 HD3 LYS A 16 54.874 7.725 4.652 1.00 0.00 H new ATOM 0 HE2 LYS A 16 52.564 9.524 5.515 1.00 0.00 H new ATOM 0 HE3 LYS A 16 54.213 9.981 5.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 54.368 10.665 3.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 54.340 9.033 3.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 52.899 9.931 3.336 1.00 0.00 H new ATOM 214 N CYS A 17 53.168 6.531 1.558 1.00 0.00 N ATOM 215 CA CYS A 17 53.912 7.004 0.357 1.00 0.00 C ATOM 216 C CYS A 17 54.015 8.529 0.358 1.00 0.00 C ATOM 217 O CYS A 17 53.217 9.219 0.960 1.00 0.00 O ATOM 218 CB CYS A 17 53.078 6.526 -0.830 1.00 0.00 C ATOM 219 SG CYS A 17 53.800 7.145 -2.369 1.00 0.00 S ATOM 0 H CYS A 17 52.401 7.133 1.859 1.00 0.00 H new ATOM 0 HA CYS A 17 54.932 6.621 0.326 1.00 0.00 H new ATOM 0 HB2 CYS A 17 53.041 5.437 -0.846 1.00 0.00 H new ATOM 0 HB3 CYS A 17 52.051 6.878 -0.731 1.00 0.00 H new ATOM 0 HG CYS A 17 53.090 6.735 -3.377 1.00 0.00 H new ATOM 224 N GLU A 18 54.993 9.055 -0.320 1.00 0.00 N ATOM 225 CA GLU A 18 55.159 10.536 -0.372 1.00 0.00 C ATOM 226 C GLU A 18 56.457 10.884 -1.103 1.00 0.00 C ATOM 227 O GLU A 18 57.539 10.729 -0.572 1.00 0.00 O ATOM 228 CB GLU A 18 55.222 10.983 1.089 1.00 0.00 C ATOM 229 CG GLU A 18 54.007 11.857 1.405 1.00 0.00 C ATOM 230 CD GLU A 18 54.395 12.914 2.441 1.00 0.00 C ATOM 231 OE1 GLU A 18 55.145 12.582 3.342 1.00 0.00 O ATOM 232 OE2 GLU A 18 53.937 14.037 2.312 1.00 0.00 O ATOM 0 H GLU A 18 55.689 8.523 -0.843 1.00 0.00 H new ATOM 0 HA GLU A 18 54.347 11.030 -0.906 1.00 0.00 H new ATOM 0 HB2 GLU A 18 55.240 10.114 1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 18 56.141 11.539 1.271 1.00 0.00 H new ATOM 0 HG2 GLU A 18 53.646 12.338 0.496 1.00 0.00 H new ATOM 0 HG3 GLU A 18 53.192 11.241 1.785 1.00 0.00 H new ATOM 239 N LYS A 19 56.357 11.342 -2.326 1.00 0.00 N ATOM 240 CA LYS A 19 57.582 11.694 -3.110 1.00 0.00 C ATOM 241 C LYS A 19 58.296 10.420 -3.568 1.00 0.00 C ATOM 242 O LYS A 19 59.438 10.453 -3.982 1.00 0.00 O ATOM 243 CB LYS A 19 58.478 12.491 -2.156 1.00 0.00 C ATOM 244 CG LYS A 19 58.957 13.766 -2.849 1.00 0.00 C ATOM 245 CD LYS A 19 59.890 14.538 -1.912 1.00 0.00 C ATOM 246 CE LYS A 19 61.183 14.892 -2.650 1.00 0.00 C ATOM 247 NZ LYS A 19 61.018 16.317 -3.052 1.00 0.00 N ATOM 0 H LYS A 19 55.475 11.488 -2.818 1.00 0.00 H new ATOM 0 HA LYS A 19 57.337 12.270 -4.002 1.00 0.00 H new ATOM 0 HB2 LYS A 19 57.928 12.742 -1.249 1.00 0.00 H new ATOM 0 HB3 LYS A 19 59.333 11.886 -1.853 1.00 0.00 H new ATOM 0 HG2 LYS A 19 59.478 13.516 -3.773 1.00 0.00 H new ATOM 0 HG3 LYS A 19 58.104 14.387 -3.122 1.00 0.00 H new ATOM 0 HD2 LYS A 19 59.399 15.446 -1.561 1.00 0.00 H new ATOM 0 HD3 LYS A 19 60.115 13.937 -1.031 1.00 0.00 H new ATOM 0 HE2 LYS A 19 62.053 14.761 -2.007 1.00 0.00 H new ATOM 0 HE3 LYS A 19 61.330 14.251 -3.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 61.866 16.634 -3.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 60.186 16.410 -3.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 60.887 16.904 -2.204 1.00 0.00 H new ATOM 261 N SER A 20 57.634 9.297 -3.499 1.00 0.00 N ATOM 262 CA SER A 20 58.283 8.025 -3.934 1.00 0.00 C ATOM 263 C SER A 20 57.780 7.614 -5.321 1.00 0.00 C ATOM 264 O SER A 20 56.793 8.127 -5.812 1.00 0.00 O ATOM 265 CB SER A 20 57.870 6.989 -2.890 1.00 0.00 C ATOM 266 OG SER A 20 57.621 7.641 -1.650 1.00 0.00 O ATOM 0 H SER A 20 56.676 9.204 -3.162 1.00 0.00 H new ATOM 0 HA SER A 20 59.366 8.124 -4.007 1.00 0.00 H new ATOM 0 HB2 SER A 20 56.977 6.459 -3.221 1.00 0.00 H new ATOM 0 HB3 SER A 20 58.656 6.244 -2.770 1.00 0.00 H new ATOM 0 HG SER A 20 57.354 6.978 -0.980 1.00 0.00 H new ATOM 272 N THR A 21 58.452 6.689 -5.952 1.00 0.00 N ATOM 273 CA THR A 21 58.016 6.235 -7.307 1.00 0.00 C ATOM 274 C THR A 21 57.552 4.775 -7.250 1.00 0.00 C ATOM 275 O THR A 21 56.540 4.414 -7.816 1.00 0.00 O ATOM 276 CB THR A 21 59.256 6.369 -8.195 1.00 0.00 C ATOM 277 OG1 THR A 21 60.229 7.169 -7.532 1.00 0.00 O ATOM 278 CG2 THR A 21 58.865 7.018 -9.528 1.00 0.00 C ATOM 0 H THR A 21 59.285 6.227 -5.588 1.00 0.00 H new ATOM 0 HA THR A 21 57.180 6.822 -7.688 1.00 0.00 H new ATOM 0 HB THR A 21 59.675 5.382 -8.389 1.00 0.00 H new ATOM 0 HG1 THR A 21 61.024 7.254 -8.099 1.00 0.00 H new ATOM 0 HG21 THR A 21 59.748 7.113 -10.159 1.00 0.00 H new ATOM 0 HG22 THR A 21 58.124 6.397 -10.032 1.00 0.00 H new ATOM 0 HG23 THR A 21 58.444 8.006 -9.342 1.00 0.00 H new ATOM 286 N LEU A 22 58.280 3.931 -6.565 1.00 0.00 N ATOM 287 CA LEU A 22 57.867 2.500 -6.475 1.00 0.00 C ATOM 288 C LEU A 22 57.862 1.855 -7.865 1.00 0.00 C ATOM 289 O LEU A 22 57.782 2.530 -8.870 1.00 0.00 O ATOM 290 CB LEU A 22 56.448 2.543 -5.907 1.00 0.00 C ATOM 291 CG LEU A 22 56.390 1.779 -4.583 1.00 0.00 C ATOM 292 CD1 LEU A 22 57.289 2.461 -3.550 1.00 0.00 C ATOM 293 CD2 LEU A 22 54.947 1.774 -4.073 1.00 0.00 C ATOM 0 H LEU A 22 59.138 4.170 -6.067 1.00 0.00 H new ATOM 0 HA LEU A 22 58.546 1.913 -5.857 1.00 0.00 H new ATOM 0 HB2 LEU A 22 56.140 3.577 -5.753 1.00 0.00 H new ATOM 0 HB3 LEU A 22 55.749 2.105 -6.620 1.00 0.00 H new ATOM 0 HG LEU A 22 56.734 0.757 -4.738 1.00 0.00 H new ATOM 0 HD11 LEU A 22 57.243 1.912 -2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 22 58.317 2.473 -3.914 1.00 0.00 H new ATOM 0 HD13 LEU A 22 56.948 3.484 -3.390 1.00 0.00 H new ATOM 0 HD21 LEU A 22 54.897 1.231 -3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 22 54.612 2.800 -3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 22 54.304 1.287 -4.806 1.00 0.00 H new ATOM 305 N THR A 23 57.938 0.554 -7.924 1.00 0.00 N ATOM 306 CA THR A 23 57.929 -0.147 -9.244 1.00 0.00 C ATOM 307 C THR A 23 57.893 -1.660 -9.012 1.00 0.00 C ATOM 308 O THR A 23 58.787 -2.225 -8.415 1.00 0.00 O ATOM 309 CB THR A 23 59.231 0.275 -9.937 1.00 0.00 C ATOM 310 OG1 THR A 23 59.053 1.549 -10.543 1.00 0.00 O ATOM 311 CG2 THR A 23 59.607 -0.749 -11.012 1.00 0.00 C ATOM 0 H THR A 23 58.006 -0.059 -7.112 1.00 0.00 H new ATOM 0 HA THR A 23 57.061 0.108 -9.853 1.00 0.00 H new ATOM 0 HB THR A 23 60.029 0.327 -9.196 1.00 0.00 H new ATOM 0 HG1 THR A 23 58.366 2.050 -10.055 1.00 0.00 H new ATOM 0 HG21 THR A 23 60.532 -0.442 -11.499 1.00 0.00 H new ATOM 0 HG22 THR A 23 59.747 -1.726 -10.550 1.00 0.00 H new ATOM 0 HG23 THR A 23 58.810 -0.808 -11.753 1.00 0.00 H new ATOM 319 N ASN A 24 56.856 -2.318 -9.456 1.00 0.00 N ATOM 320 CA ASN A 24 56.761 -3.789 -9.228 1.00 0.00 C ATOM 321 C ASN A 24 56.932 -4.054 -7.735 1.00 0.00 C ATOM 322 O ASN A 24 57.882 -4.679 -7.307 1.00 0.00 O ATOM 323 CB ASN A 24 57.918 -4.405 -10.023 1.00 0.00 C ATOM 324 CG ASN A 24 57.611 -4.306 -11.517 1.00 0.00 C ATOM 325 OD1 ASN A 24 58.155 -3.465 -12.207 1.00 0.00 O ATOM 326 ND2 ASN A 24 56.755 -5.135 -12.049 1.00 0.00 N ATOM 0 H ASN A 24 56.075 -1.904 -9.964 1.00 0.00 H new ATOM 0 HA ASN A 24 55.806 -4.210 -9.543 1.00 0.00 H new ATOM 0 HB2 ASN A 24 58.849 -3.885 -9.796 1.00 0.00 H new ATOM 0 HB3 ASN A 24 58.057 -5.447 -9.737 1.00 0.00 H new ATOM 0 HD21 ASN A 24 56.541 -5.078 -13.045 1.00 0.00 H new ATOM 0 HD22 ASN A 24 56.300 -5.840 -11.469 1.00 0.00 H new ATOM 333 N CYS A 25 56.028 -3.556 -6.936 1.00 0.00 N ATOM 334 CA CYS A 25 56.149 -3.751 -5.466 1.00 0.00 C ATOM 335 C CYS A 25 54.772 -3.884 -4.813 1.00 0.00 C ATOM 336 O CYS A 25 53.768 -4.061 -5.471 1.00 0.00 O ATOM 337 CB CYS A 25 56.844 -2.484 -4.967 1.00 0.00 C ATOM 338 SG CYS A 25 58.631 -2.763 -4.870 1.00 0.00 S ATOM 0 H CYS A 25 55.212 -3.023 -7.239 1.00 0.00 H new ATOM 0 HA CYS A 25 56.698 -4.660 -5.221 1.00 0.00 H new ATOM 0 HB2 CYS A 25 56.632 -1.653 -5.640 1.00 0.00 H new ATOM 0 HB3 CYS A 25 56.456 -2.207 -3.987 1.00 0.00 H new ATOM 343 N TYR A 26 54.734 -3.789 -3.511 1.00 0.00 N ATOM 344 CA TYR A 26 53.448 -3.893 -2.764 1.00 0.00 C ATOM 345 C TYR A 26 53.608 -3.154 -1.436 1.00 0.00 C ATOM 346 O TYR A 26 52.735 -2.437 -0.995 1.00 0.00 O ATOM 347 CB TYR A 26 53.220 -5.393 -2.531 1.00 0.00 C ATOM 348 CG TYR A 26 53.550 -6.153 -3.791 1.00 0.00 C ATOM 349 CD1 TYR A 26 52.587 -6.295 -4.797 1.00 0.00 C ATOM 350 CD2 TYR A 26 54.826 -6.706 -3.960 1.00 0.00 C ATOM 351 CE1 TYR A 26 52.901 -6.987 -5.971 1.00 0.00 C ATOM 352 CE2 TYR A 26 55.140 -7.396 -5.135 1.00 0.00 C ATOM 353 CZ TYR A 26 54.178 -7.538 -6.141 1.00 0.00 C ATOM 354 OH TYR A 26 54.488 -8.217 -7.300 1.00 0.00 O ATOM 0 H TYR A 26 55.555 -3.641 -2.924 1.00 0.00 H new ATOM 0 HA TYR A 26 52.605 -3.456 -3.299 1.00 0.00 H new ATOM 0 HB2 TYR A 26 53.844 -5.743 -1.708 1.00 0.00 H new ATOM 0 HB3 TYR A 26 52.184 -5.574 -2.245 1.00 0.00 H new ATOM 0 HD1 TYR A 26 51.602 -5.871 -4.667 1.00 0.00 H new ATOM 0 HD2 TYR A 26 55.568 -6.599 -3.182 1.00 0.00 H new ATOM 0 HE1 TYR A 26 52.158 -7.097 -6.747 1.00 0.00 H new ATOM 0 HE2 TYR A 26 56.125 -7.819 -5.266 1.00 0.00 H new ATOM 0 HH TYR A 26 55.414 -8.534 -7.256 1.00 0.00 H new ATOM 364 N VAL A 27 54.746 -3.309 -0.821 1.00 0.00 N ATOM 365 CA VAL A 27 55.024 -2.609 0.466 1.00 0.00 C ATOM 366 C VAL A 27 53.965 -2.934 1.526 1.00 0.00 C ATOM 367 O VAL A 27 52.781 -2.963 1.256 1.00 0.00 O ATOM 368 CB VAL A 27 54.996 -1.126 0.105 1.00 0.00 C ATOM 369 CG1 VAL A 27 55.552 -0.302 1.269 1.00 0.00 C ATOM 370 CG2 VAL A 27 55.858 -0.900 -1.140 1.00 0.00 C ATOM 0 H VAL A 27 55.506 -3.899 -1.159 1.00 0.00 H new ATOM 0 HA VAL A 27 55.975 -2.917 0.900 1.00 0.00 H new ATOM 0 HB VAL A 27 53.970 -0.816 -0.095 1.00 0.00 H new ATOM 0 HG11 VAL A 27 55.531 0.756 1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 27 54.943 -0.469 2.157 1.00 0.00 H new ATOM 0 HG13 VAL A 27 56.579 -0.605 1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 27 55.844 0.157 -1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 27 56.883 -1.209 -0.934 1.00 0.00 H new ATOM 0 HG23 VAL A 27 55.462 -1.487 -1.968 1.00 0.00 H new ATOM 380 N ASP A 28 54.395 -3.167 2.736 1.00 0.00 N ATOM 381 CA ASP A 28 53.435 -3.481 3.836 1.00 0.00 C ATOM 382 C ASP A 28 54.017 -3.028 5.178 1.00 0.00 C ATOM 383 O ASP A 28 55.156 -3.311 5.499 1.00 0.00 O ATOM 384 CB ASP A 28 53.277 -5.001 3.800 1.00 0.00 C ATOM 385 CG ASP A 28 51.789 -5.361 3.779 1.00 0.00 C ATOM 386 OD1 ASP A 28 51.137 -5.160 4.790 1.00 0.00 O ATOM 387 OD2 ASP A 28 51.328 -5.831 2.752 1.00 0.00 O ATOM 0 H ASP A 28 55.377 -3.154 3.013 1.00 0.00 H new ATOM 0 HA ASP A 28 52.478 -2.973 3.715 1.00 0.00 H new ATOM 0 HB2 ASP A 28 53.773 -5.408 2.918 1.00 0.00 H new ATOM 0 HB3 ASP A 28 53.758 -5.448 4.670 1.00 0.00 H new ATOM 392 N LYS A 29 53.254 -2.312 5.959 1.00 0.00 N ATOM 393 CA LYS A 29 53.776 -1.828 7.268 1.00 0.00 C ATOM 394 C LYS A 29 55.078 -1.063 7.035 1.00 0.00 C ATOM 395 O LYS A 29 56.009 -1.139 7.808 1.00 0.00 O ATOM 396 CB LYS A 29 54.012 -3.086 8.106 1.00 0.00 C ATOM 397 CG LYS A 29 52.670 -3.621 8.605 1.00 0.00 C ATOM 398 CD LYS A 29 52.889 -4.942 9.342 1.00 0.00 C ATOM 399 CE LYS A 29 51.867 -5.069 10.475 1.00 0.00 C ATOM 400 NZ LYS A 29 50.544 -5.202 9.799 1.00 0.00 N ATOM 0 H LYS A 29 52.293 -2.042 5.747 1.00 0.00 H new ATOM 0 HA LYS A 29 53.088 -1.151 7.774 1.00 0.00 H new ATOM 0 HB2 LYS A 29 54.519 -3.844 7.509 1.00 0.00 H new ATOM 0 HB3 LYS A 29 54.662 -2.857 8.951 1.00 0.00 H new ATOM 0 HG2 LYS A 29 52.202 -2.895 9.270 1.00 0.00 H new ATOM 0 HG3 LYS A 29 51.991 -3.769 7.765 1.00 0.00 H new ATOM 0 HD2 LYS A 29 52.787 -5.778 8.650 1.00 0.00 H new ATOM 0 HD3 LYS A 29 53.901 -4.983 9.744 1.00 0.00 H new ATOM 0 HE2 LYS A 29 52.078 -5.937 11.100 1.00 0.00 H new ATOM 0 HE3 LYS A 29 51.890 -4.195 11.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 49.850 -5.592 10.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 50.225 -4.267 9.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 50.634 -5.840 8.983 1.00 0.00 H new ATOM 414 N SER A 30 55.142 -0.326 5.964 1.00 0.00 N ATOM 415 CA SER A 30 56.377 0.447 5.661 1.00 0.00 C ATOM 416 C SER A 30 56.039 1.922 5.432 1.00 0.00 C ATOM 417 O SER A 30 54.888 2.295 5.315 1.00 0.00 O ATOM 418 CB SER A 30 56.918 -0.178 4.380 1.00 0.00 C ATOM 419 OG SER A 30 56.930 -1.594 4.518 1.00 0.00 O ATOM 0 H SER A 30 54.390 -0.225 5.283 1.00 0.00 H new ATOM 0 HA SER A 30 57.099 0.411 6.477 1.00 0.00 H new ATOM 0 HB2 SER A 30 56.299 0.111 3.531 1.00 0.00 H new ATOM 0 HB3 SER A 30 57.925 0.188 4.180 1.00 0.00 H new ATOM 0 HG SER A 30 57.600 -1.852 5.186 1.00 0.00 H new ATOM 425 N GLU A 31 57.036 2.760 5.362 1.00 0.00 N ATOM 426 CA GLU A 31 56.781 4.214 5.134 1.00 0.00 C ATOM 427 C GLU A 31 57.315 4.634 3.760 1.00 0.00 C ATOM 428 O GLU A 31 56.571 5.048 2.893 1.00 0.00 O ATOM 429 CB GLU A 31 57.547 4.930 6.248 1.00 0.00 C ATOM 430 CG GLU A 31 56.593 5.842 7.023 1.00 0.00 C ATOM 431 CD GLU A 31 57.365 6.586 8.115 1.00 0.00 C ATOM 432 OE1 GLU A 31 58.537 6.296 8.291 1.00 0.00 O ATOM 433 OE2 GLU A 31 56.770 7.435 8.757 1.00 0.00 O ATOM 0 H GLU A 31 58.019 2.502 5.453 1.00 0.00 H new ATOM 0 HA GLU A 31 55.718 4.455 5.150 1.00 0.00 H new ATOM 0 HB2 GLU A 31 57.996 4.200 6.922 1.00 0.00 H new ATOM 0 HB3 GLU A 31 58.362 5.516 5.824 1.00 0.00 H new ATOM 0 HG2 GLU A 31 56.125 6.555 6.345 1.00 0.00 H new ATOM 0 HG3 GLU A 31 55.792 5.252 7.468 1.00 0.00 H new ATOM 440 N VAL A 32 58.603 4.533 3.559 1.00 0.00 N ATOM 441 CA VAL A 32 59.191 4.928 2.245 1.00 0.00 C ATOM 442 C VAL A 32 58.956 6.421 1.989 1.00 0.00 C ATOM 443 O VAL A 32 57.937 6.970 2.361 1.00 0.00 O ATOM 444 CB VAL A 32 58.462 4.079 1.205 1.00 0.00 C ATOM 445 CG1 VAL A 32 59.225 4.141 -0.117 1.00 0.00 C ATOM 446 CG2 VAL A 32 58.394 2.625 1.687 1.00 0.00 C ATOM 0 H VAL A 32 59.274 4.194 4.249 1.00 0.00 H new ATOM 0 HA VAL A 32 60.268 4.766 2.211 1.00 0.00 H new ATOM 0 HB VAL A 32 57.451 4.461 1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 32 58.709 3.537 -0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 32 59.276 5.175 -0.459 1.00 0.00 H new ATOM 0 HG13 VAL A 32 60.234 3.756 0.027 1.00 0.00 H new ATOM 0 HG21 VAL A 32 57.874 2.020 0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 32 59.404 2.240 1.826 1.00 0.00 H new ATOM 0 HG23 VAL A 32 57.855 2.580 2.634 1.00 0.00 H new ATOM 456 N TYR A 33 59.892 7.085 1.361 1.00 0.00 N ATOM 457 CA TYR A 33 59.718 8.545 1.092 1.00 0.00 C ATOM 458 C TYR A 33 60.501 8.961 -0.160 1.00 0.00 C ATOM 459 O TYR A 33 61.015 10.059 -0.241 1.00 0.00 O ATOM 460 CB TYR A 33 60.282 9.248 2.331 1.00 0.00 C ATOM 461 CG TYR A 33 59.268 9.204 3.445 1.00 0.00 C ATOM 462 CD1 TYR A 33 58.189 10.094 3.437 1.00 0.00 C ATOM 463 CD2 TYR A 33 59.404 8.276 4.486 1.00 0.00 C ATOM 464 CE1 TYR A 33 57.244 10.056 4.467 1.00 0.00 C ATOM 465 CE2 TYR A 33 58.458 8.239 5.517 1.00 0.00 C ATOM 466 CZ TYR A 33 57.377 9.130 5.507 1.00 0.00 C ATOM 467 OH TYR A 33 56.442 9.094 6.521 1.00 0.00 O ATOM 0 H TYR A 33 60.766 6.682 1.024 1.00 0.00 H new ATOM 0 HA TYR A 33 58.675 8.804 0.911 1.00 0.00 H new ATOM 0 HB2 TYR A 33 61.206 8.763 2.647 1.00 0.00 H new ATOM 0 HB3 TYR A 33 60.530 10.282 2.093 1.00 0.00 H new ATOM 0 HD1 TYR A 33 58.086 10.810 2.635 1.00 0.00 H new ATOM 0 HD2 TYR A 33 60.238 7.590 4.493 1.00 0.00 H new ATOM 0 HE1 TYR A 33 56.410 10.743 4.460 1.00 0.00 H new ATOM 0 HE2 TYR A 33 58.561 7.524 6.320 1.00 0.00 H new ATOM 0 HH TYR A 33 56.880 9.284 7.377 1.00 0.00 H new ATOM 477 N GLY A 34 60.596 8.099 -1.136 1.00 0.00 N ATOM 478 CA GLY A 34 61.346 8.458 -2.375 1.00 0.00 C ATOM 479 C GLY A 34 61.822 7.181 -3.078 1.00 0.00 C ATOM 480 O GLY A 34 61.935 7.131 -4.286 1.00 0.00 O ATOM 0 H GLY A 34 60.188 7.164 -1.130 1.00 0.00 H new ATOM 0 HA2 GLY A 34 60.708 9.037 -3.043 1.00 0.00 H new ATOM 0 HA3 GLY A 34 62.200 9.087 -2.125 1.00 0.00 H new ATOM 484 N THR A 35 62.102 6.152 -2.324 1.00 0.00 N ATOM 485 CA THR A 35 62.573 4.870 -2.931 1.00 0.00 C ATOM 486 C THR A 35 61.804 4.554 -4.213 1.00 0.00 C ATOM 487 O THR A 35 60.657 4.921 -4.371 1.00 0.00 O ATOM 488 CB THR A 35 62.284 3.810 -1.866 1.00 0.00 C ATOM 489 OG1 THR A 35 63.218 3.939 -0.805 1.00 0.00 O ATOM 490 CG2 THR A 35 62.396 2.415 -2.482 1.00 0.00 C ATOM 0 H THR A 35 62.025 6.143 -1.307 1.00 0.00 H new ATOM 0 HA THR A 35 63.627 4.914 -3.206 1.00 0.00 H new ATOM 0 HB THR A 35 61.274 3.951 -1.480 1.00 0.00 H new ATOM 0 HG1 THR A 35 62.971 4.703 -0.243 1.00 0.00 H new ATOM 0 HG21 THR A 35 62.189 1.663 -1.720 1.00 0.00 H new ATOM 0 HG22 THR A 35 61.675 2.317 -3.294 1.00 0.00 H new ATOM 0 HG23 THR A 35 63.403 2.269 -2.872 1.00 0.00 H new ATOM 498 N THR A 36 62.428 3.861 -5.125 1.00 0.00 N ATOM 499 CA THR A 36 61.738 3.499 -6.393 1.00 0.00 C ATOM 500 C THR A 36 61.191 2.075 -6.281 1.00 0.00 C ATOM 501 O THR A 36 60.347 1.658 -7.049 1.00 0.00 O ATOM 502 CB THR A 36 62.819 3.574 -7.476 1.00 0.00 C ATOM 503 OG1 THR A 36 63.299 4.908 -7.576 1.00 0.00 O ATOM 504 CG2 THR A 36 62.229 3.141 -8.819 1.00 0.00 C ATOM 0 H THR A 36 63.389 3.529 -5.046 1.00 0.00 H new ATOM 0 HA THR A 36 60.900 4.159 -6.618 1.00 0.00 H new ATOM 0 HB THR A 36 63.643 2.911 -7.212 1.00 0.00 H new ATOM 0 HG1 THR A 36 63.992 4.955 -8.268 1.00 0.00 H new ATOM 0 HG21 THR A 36 62.999 3.195 -9.589 1.00 0.00 H new ATOM 0 HG22 THR A 36 61.863 2.117 -8.742 1.00 0.00 H new ATOM 0 HG23 THR A 36 61.404 3.802 -9.084 1.00 0.00 H new ATOM 512 N CYS A 37 61.673 1.328 -5.322 1.00 0.00 N ATOM 513 CA CYS A 37 61.192 -0.072 -5.146 1.00 0.00 C ATOM 514 C CYS A 37 61.298 -0.833 -6.468 1.00 0.00 C ATOM 515 O CYS A 37 60.345 -0.939 -7.215 1.00 0.00 O ATOM 516 CB CYS A 37 59.732 0.058 -4.711 1.00 0.00 C ATOM 517 SG CYS A 37 59.297 -1.321 -3.621 1.00 0.00 S ATOM 0 H CYS A 37 62.381 1.629 -4.652 1.00 0.00 H new ATOM 0 HA CYS A 37 61.782 -0.624 -4.414 1.00 0.00 H new ATOM 0 HB2 CYS A 37 59.579 1.005 -4.194 1.00 0.00 H new ATOM 0 HB3 CYS A 37 59.081 0.063 -5.585 1.00 0.00 H new ATOM 522 N THR A 38 62.454 -1.358 -6.764 1.00 0.00 N ATOM 523 CA THR A 38 62.629 -2.106 -8.038 1.00 0.00 C ATOM 524 C THR A 38 62.398 -3.605 -7.811 1.00 0.00 C ATOM 525 O THR A 38 63.245 -4.304 -7.291 1.00 0.00 O ATOM 526 CB THR A 38 64.075 -1.833 -8.454 1.00 0.00 C ATOM 527 OG1 THR A 38 64.372 -0.460 -8.238 1.00 0.00 O ATOM 528 CG2 THR A 38 64.256 -2.171 -9.933 1.00 0.00 C ATOM 0 H THR A 38 63.286 -1.301 -6.177 1.00 0.00 H new ATOM 0 HA THR A 38 61.920 -1.796 -8.805 1.00 0.00 H new ATOM 0 HB THR A 38 64.749 -2.451 -7.861 1.00 0.00 H new ATOM 0 HG1 THR A 38 65.299 -0.280 -8.502 1.00 0.00 H new ATOM 0 HG21 THR A 38 65.287 -1.976 -10.227 1.00 0.00 H new ATOM 0 HG22 THR A 38 64.025 -3.224 -10.097 1.00 0.00 H new ATOM 0 HG23 THR A 38 63.585 -1.555 -10.532 1.00 0.00 H new ATOM 536 N GLY A 39 61.253 -4.100 -8.198 1.00 0.00 N ATOM 537 CA GLY A 39 60.955 -5.552 -8.012 1.00 0.00 C ATOM 538 C GLY A 39 61.275 -5.975 -6.572 1.00 0.00 C ATOM 539 O GLY A 39 62.115 -6.822 -6.334 1.00 0.00 O ATOM 0 H GLY A 39 60.507 -3.560 -8.637 1.00 0.00 H new ATOM 0 HA2 GLY A 39 59.905 -5.747 -8.232 1.00 0.00 H new ATOM 0 HA3 GLY A 39 61.543 -6.145 -8.713 1.00 0.00 H new ATOM 543 N SER A 40 60.608 -5.393 -5.613 1.00 0.00 N ATOM 544 CA SER A 40 60.860 -5.756 -4.186 1.00 0.00 C ATOM 545 C SER A 40 59.584 -5.551 -3.362 1.00 0.00 C ATOM 546 O SER A 40 58.514 -5.333 -3.896 1.00 0.00 O ATOM 547 CB SER A 40 61.953 -4.796 -3.718 1.00 0.00 C ATOM 548 OG SER A 40 62.276 -5.077 -2.362 1.00 0.00 O ATOM 0 H SER A 40 59.895 -4.678 -5.756 1.00 0.00 H new ATOM 0 HA SER A 40 61.157 -6.798 -4.070 1.00 0.00 H new ATOM 0 HB2 SER A 40 62.839 -4.902 -4.344 1.00 0.00 H new ATOM 0 HB3 SER A 40 61.614 -3.765 -3.817 1.00 0.00 H new ATOM 0 HG SER A 40 63.231 -4.916 -2.213 1.00 0.00 H new ATOM 554 N ARG A 41 59.689 -5.609 -2.065 1.00 0.00 N ATOM 555 CA ARG A 41 58.485 -5.407 -1.209 1.00 0.00 C ATOM 556 C ARG A 41 58.902 -5.244 0.249 1.00 0.00 C ATOM 557 O ARG A 41 59.954 -5.690 0.657 1.00 0.00 O ATOM 558 CB ARG A 41 57.639 -6.668 -1.381 1.00 0.00 C ATOM 559 CG ARG A 41 56.403 -6.571 -0.480 1.00 0.00 C ATOM 560 CD ARG A 41 55.718 -7.937 -0.399 1.00 0.00 C ATOM 561 NE ARG A 41 55.248 -8.049 1.011 1.00 0.00 N ATOM 562 CZ ARG A 41 55.627 -9.057 1.746 1.00 0.00 C ATOM 563 NH1 ARG A 41 56.886 -9.197 2.060 1.00 0.00 N ATOM 564 NH2 ARG A 41 54.749 -9.923 2.169 1.00 0.00 N ATOM 0 H ARG A 41 60.556 -5.788 -1.559 1.00 0.00 H new ATOM 0 HA ARG A 41 57.932 -4.511 -1.492 1.00 0.00 H new ATOM 0 HB2 ARG A 41 57.337 -6.779 -2.422 1.00 0.00 H new ATOM 0 HB3 ARG A 41 58.224 -7.551 -1.123 1.00 0.00 H new ATOM 0 HG2 ARG A 41 56.692 -6.238 0.517 1.00 0.00 H new ATOM 0 HG3 ARG A 41 55.710 -5.828 -0.875 1.00 0.00 H new ATOM 0 HD2 ARG A 41 54.885 -8.003 -1.099 1.00 0.00 H new ATOM 0 HD3 ARG A 41 56.410 -8.741 -0.650 1.00 0.00 H new ATOM 0 HE ARG A 41 54.630 -7.337 1.401 1.00 0.00 H new ATOM 0 HH11 ARG A 41 57.572 -8.518 1.730 1.00 0.00 H new ATOM 0 HH12 ARG A 41 57.184 -9.985 2.635 1.00 0.00 H new ATOM 0 HH21 ARG A 41 53.765 -9.812 1.925 1.00 0.00 H new ATOM 0 HH22 ARG A 41 55.046 -10.711 2.744 1.00 0.00 H new ATOM 578 N PHE A 42 58.084 -4.611 1.040 1.00 0.00 N ATOM 579 CA PHE A 42 58.437 -4.427 2.473 1.00 0.00 C ATOM 580 C PHE A 42 57.411 -5.127 3.362 1.00 0.00 C ATOM 581 O PHE A 42 56.455 -5.711 2.892 1.00 0.00 O ATOM 582 CB PHE A 42 58.388 -2.919 2.711 1.00 0.00 C ATOM 583 CG PHE A 42 59.125 -2.192 1.612 1.00 0.00 C ATOM 584 CD1 PHE A 42 60.234 -2.780 0.992 1.00 0.00 C ATOM 585 CD2 PHE A 42 58.702 -0.919 1.220 1.00 0.00 C ATOM 586 CE1 PHE A 42 60.916 -2.092 -0.020 1.00 0.00 C ATOM 587 CE2 PHE A 42 59.381 -0.231 0.210 1.00 0.00 C ATOM 588 CZ PHE A 42 60.489 -0.816 -0.409 1.00 0.00 C ATOM 0 H PHE A 42 57.188 -4.214 0.757 1.00 0.00 H new ATOM 0 HA PHE A 42 59.415 -4.848 2.707 1.00 0.00 H new ATOM 0 HB2 PHE A 42 57.352 -2.583 2.747 1.00 0.00 H new ATOM 0 HB3 PHE A 42 58.834 -2.681 3.677 1.00 0.00 H new ATOM 0 HD1 PHE A 42 60.564 -3.763 1.294 1.00 0.00 H new ATOM 0 HD2 PHE A 42 57.847 -0.465 1.699 1.00 0.00 H new ATOM 0 HE1 PHE A 42 61.771 -2.545 -0.500 1.00 0.00 H new ATOM 0 HE2 PHE A 42 59.050 0.752 -0.092 1.00 0.00 H new ATOM 0 HZ PHE A 42 61.016 -0.284 -1.187 1.00 0.00 H new ATOM 598 N ASP A 43 57.600 -5.061 4.647 1.00 0.00 N ATOM 599 CA ASP A 43 56.640 -5.708 5.582 1.00 0.00 C ATOM 600 C ASP A 43 56.922 -5.239 7.005 1.00 0.00 C ATOM 601 O ASP A 43 56.889 -6.006 7.946 1.00 0.00 O ATOM 602 CB ASP A 43 56.886 -7.211 5.441 1.00 0.00 C ATOM 603 CG ASP A 43 55.549 -7.951 5.499 1.00 0.00 C ATOM 604 OD1 ASP A 43 54.547 -7.302 5.753 1.00 0.00 O ATOM 605 OD2 ASP A 43 55.548 -9.152 5.286 1.00 0.00 O ATOM 0 H ASP A 43 58.383 -4.584 5.094 1.00 0.00 H new ATOM 0 HA ASP A 43 55.603 -5.457 5.359 1.00 0.00 H new ATOM 0 HB2 ASP A 43 57.390 -7.421 4.498 1.00 0.00 H new ATOM 0 HB3 ASP A 43 57.542 -7.560 6.238 1.00 0.00 H new ATOM 610 N GLY A 44 57.202 -3.976 7.164 1.00 0.00 N ATOM 611 CA GLY A 44 57.491 -3.441 8.519 1.00 0.00 C ATOM 612 C GLY A 44 58.798 -2.650 8.491 1.00 0.00 C ATOM 613 O GLY A 44 59.702 -2.901 9.263 1.00 0.00 O ATOM 0 H GLY A 44 57.243 -3.290 6.410 1.00 0.00 H new ATOM 0 HA2 GLY A 44 56.674 -2.800 8.850 1.00 0.00 H new ATOM 0 HA3 GLY A 44 57.565 -4.259 9.236 1.00 0.00 H new ATOM 617 N VAL A 45 58.910 -1.692 7.611 1.00 0.00 N ATOM 618 CA VAL A 45 60.170 -0.894 7.552 1.00 0.00 C ATOM 619 C VAL A 45 59.853 0.604 7.586 1.00 0.00 C ATOM 620 O VAL A 45 58.756 1.016 7.905 1.00 0.00 O ATOM 621 CB VAL A 45 60.864 -1.281 6.229 1.00 0.00 C ATOM 622 CG1 VAL A 45 60.585 -2.745 5.893 1.00 0.00 C ATOM 623 CG2 VAL A 45 60.351 -0.412 5.080 1.00 0.00 C ATOM 0 H VAL A 45 58.192 -1.429 6.936 1.00 0.00 H new ATOM 0 HA VAL A 45 60.815 -1.101 8.406 1.00 0.00 H new ATOM 0 HB VAL A 45 61.936 -1.127 6.355 1.00 0.00 H new ATOM 0 HG11 VAL A 45 61.080 -3.004 4.957 1.00 0.00 H new ATOM 0 HG12 VAL A 45 60.965 -3.381 6.693 1.00 0.00 H new ATOM 0 HG13 VAL A 45 59.511 -2.896 5.788 1.00 0.00 H new ATOM 0 HG21 VAL A 45 60.851 -0.699 4.155 1.00 0.00 H new ATOM 0 HG22 VAL A 45 59.276 -0.553 4.969 1.00 0.00 H new ATOM 0 HG23 VAL A 45 60.560 0.636 5.295 1.00 0.00 H new ATOM 633 N THR A 46 60.815 1.415 7.259 1.00 0.00 N ATOM 634 CA THR A 46 60.603 2.888 7.265 1.00 0.00 C ATOM 635 C THR A 46 61.722 3.547 6.465 1.00 0.00 C ATOM 636 O THR A 46 62.471 4.363 6.966 1.00 0.00 O ATOM 637 CB THR A 46 60.672 3.283 8.742 1.00 0.00 C ATOM 638 OG1 THR A 46 59.536 2.765 9.427 1.00 0.00 O ATOM 639 CG2 THR A 46 60.693 4.805 8.865 1.00 0.00 C ATOM 0 H THR A 46 61.751 1.118 6.984 1.00 0.00 H new ATOM 0 HA THR A 46 59.658 3.195 6.817 1.00 0.00 H new ATOM 0 HB THR A 46 61.580 2.873 9.184 1.00 0.00 H new ATOM 0 HG1 THR A 46 58.891 2.418 8.776 1.00 0.00 H new ATOM 0 HG21 THR A 46 60.742 5.084 9.917 1.00 0.00 H new ATOM 0 HG22 THR A 46 61.565 5.200 8.344 1.00 0.00 H new ATOM 0 HG23 THR A 46 59.787 5.218 8.422 1.00 0.00 H new ATOM 647 N ILE A 47 61.855 3.168 5.224 1.00 0.00 N ATOM 648 CA ILE A 47 62.943 3.730 4.378 1.00 0.00 C ATOM 649 C ILE A 47 62.525 5.047 3.720 1.00 0.00 C ATOM 650 O ILE A 47 61.386 5.459 3.788 1.00 0.00 O ATOM 651 CB ILE A 47 63.185 2.650 3.321 1.00 0.00 C ATOM 652 CG1 ILE A 47 64.220 3.144 2.308 1.00 0.00 C ATOM 653 CG2 ILE A 47 61.874 2.332 2.597 1.00 0.00 C ATOM 654 CD1 ILE A 47 64.792 1.954 1.539 1.00 0.00 C ATOM 0 H ILE A 47 61.253 2.489 4.758 1.00 0.00 H new ATOM 0 HA ILE A 47 63.834 3.965 4.960 1.00 0.00 H new ATOM 0 HB ILE A 47 63.556 1.749 3.809 1.00 0.00 H new ATOM 0 HG12 ILE A 47 63.759 3.849 1.616 1.00 0.00 H new ATOM 0 HG13 ILE A 47 65.020 3.677 2.821 1.00 0.00 H new ATOM 0 HG21 ILE A 47 62.051 1.563 1.845 1.00 0.00 H new ATOM 0 HG22 ILE A 47 61.138 1.974 3.317 1.00 0.00 H new ATOM 0 HG23 ILE A 47 61.498 3.233 2.112 1.00 0.00 H new ATOM 0 HD11 ILE A 47 65.529 2.307 0.818 1.00 0.00 H new ATOM 0 HD12 ILE A 47 65.268 1.265 2.237 1.00 0.00 H new ATOM 0 HD13 ILE A 47 63.987 1.440 1.013 1.00 0.00 H new ATOM 666 N THR A 48 63.451 5.705 3.078 1.00 0.00 N ATOM 667 CA THR A 48 63.132 6.989 2.399 1.00 0.00 C ATOM 668 C THR A 48 63.653 6.945 0.964 1.00 0.00 C ATOM 669 O THR A 48 63.843 5.887 0.401 1.00 0.00 O ATOM 670 CB THR A 48 63.873 8.067 3.196 1.00 0.00 C ATOM 671 OG1 THR A 48 65.272 7.919 2.996 1.00 0.00 O ATOM 672 CG2 THR A 48 63.547 7.926 4.684 1.00 0.00 C ATOM 0 H THR A 48 64.422 5.404 2.995 1.00 0.00 H new ATOM 0 HA THR A 48 62.060 7.183 2.361 1.00 0.00 H new ATOM 0 HB THR A 48 63.558 9.053 2.855 1.00 0.00 H new ATOM 0 HG1 THR A 48 65.578 8.568 2.329 1.00 0.00 H new ATOM 0 HG21 THR A 48 64.076 8.695 5.247 1.00 0.00 H new ATOM 0 HG22 THR A 48 62.473 8.041 4.834 1.00 0.00 H new ATOM 0 HG23 THR A 48 63.859 6.942 5.033 1.00 0.00 H new ATOM 680 N THR A 49 63.897 8.083 0.376 1.00 0.00 N ATOM 681 CA THR A 49 64.422 8.112 -1.019 1.00 0.00 C ATOM 682 C THR A 49 65.606 7.146 -1.149 1.00 0.00 C ATOM 683 O THR A 49 66.743 7.520 -0.965 1.00 0.00 O ATOM 684 CB THR A 49 64.885 9.560 -1.211 1.00 0.00 C ATOM 685 OG1 THR A 49 63.753 10.394 -1.415 1.00 0.00 O ATOM 686 CG2 THR A 49 65.815 9.656 -2.420 1.00 0.00 C ATOM 0 H THR A 49 63.755 8.998 0.803 1.00 0.00 H new ATOM 0 HA THR A 49 63.683 7.810 -1.761 1.00 0.00 H new ATOM 0 HB THR A 49 65.424 9.885 -0.321 1.00 0.00 H new ATOM 0 HG1 THR A 49 64.047 11.321 -1.536 1.00 0.00 H new ATOM 0 HG21 THR A 49 66.139 10.689 -2.549 1.00 0.00 H new ATOM 0 HG22 THR A 49 66.686 9.020 -2.261 1.00 0.00 H new ATOM 0 HG23 THR A 49 65.285 9.328 -3.314 1.00 0.00 H new ATOM 694 N SER A 50 65.357 5.905 -1.456 1.00 0.00 N ATOM 695 CA SER A 50 66.487 4.939 -1.577 1.00 0.00 C ATOM 696 C SER A 50 66.459 4.251 -2.942 1.00 0.00 C ATOM 697 O SER A 50 65.417 3.908 -3.462 1.00 0.00 O ATOM 698 CB SER A 50 66.267 3.926 -0.453 1.00 0.00 C ATOM 699 OG SER A 50 66.697 2.643 -0.885 1.00 0.00 O ATOM 0 H SER A 50 64.429 5.518 -1.627 1.00 0.00 H new ATOM 0 HA SER A 50 67.457 5.429 -1.496 1.00 0.00 H new ATOM 0 HB2 SER A 50 66.820 4.227 0.437 1.00 0.00 H new ATOM 0 HB3 SER A 50 65.213 3.895 -0.177 1.00 0.00 H new ATOM 0 HG SER A 50 67.676 2.621 -0.919 1.00 0.00 H new ATOM 705 N THR A 51 67.602 4.053 -3.531 1.00 0.00 N ATOM 706 CA THR A 51 67.645 3.396 -4.868 1.00 0.00 C ATOM 707 C THR A 51 67.687 1.871 -4.722 1.00 0.00 C ATOM 708 O THR A 51 68.058 1.166 -5.639 1.00 0.00 O ATOM 709 CB THR A 51 68.936 3.902 -5.510 1.00 0.00 C ATOM 710 OG1 THR A 51 69.015 5.314 -5.373 1.00 0.00 O ATOM 711 CG2 THR A 51 68.946 3.525 -6.991 1.00 0.00 C ATOM 0 H THR A 51 68.509 4.317 -3.147 1.00 0.00 H new ATOM 0 HA THR A 51 66.764 3.629 -5.466 1.00 0.00 H new ATOM 0 HB THR A 51 69.793 3.446 -5.014 1.00 0.00 H new ATOM 0 HG1 THR A 51 69.844 5.637 -5.784 1.00 0.00 H new ATOM 0 HG21 THR A 51 69.866 3.885 -7.452 1.00 0.00 H new ATOM 0 HG22 THR A 51 68.890 2.441 -7.091 1.00 0.00 H new ATOM 0 HG23 THR A 51 68.089 3.980 -7.488 1.00 0.00 H new ATOM 719 N SER A 52 67.318 1.360 -3.581 1.00 0.00 N ATOM 720 CA SER A 52 67.342 -0.120 -3.373 1.00 0.00 C ATOM 721 C SER A 52 66.878 -0.858 -4.630 1.00 0.00 C ATOM 722 O SER A 52 65.733 -0.765 -5.029 1.00 0.00 O ATOM 723 CB SER A 52 66.373 -0.368 -2.218 1.00 0.00 C ATOM 724 OG SER A 52 65.044 -0.414 -2.722 1.00 0.00 O ATOM 0 H SER A 52 66.999 1.903 -2.779 1.00 0.00 H new ATOM 0 HA SER A 52 68.347 -0.484 -3.157 1.00 0.00 H new ATOM 0 HB2 SER A 52 66.617 -1.305 -1.718 1.00 0.00 H new ATOM 0 HB3 SER A 52 66.465 0.424 -1.474 1.00 0.00 H new ATOM 0 HG SER A 52 65.012 0.022 -3.599 1.00 0.00 H new ATOM 730 N THR A 53 67.755 -1.602 -5.251 1.00 0.00 N ATOM 731 CA THR A 53 67.353 -2.355 -6.474 1.00 0.00 C ATOM 732 C THR A 53 67.368 -3.853 -6.175 1.00 0.00 C ATOM 733 O THR A 53 68.388 -4.504 -6.268 1.00 0.00 O ATOM 734 CB THR A 53 68.401 -1.998 -7.527 1.00 0.00 C ATOM 735 OG1 THR A 53 68.467 -0.587 -7.664 1.00 0.00 O ATOM 736 CG2 THR A 53 68.010 -2.620 -8.867 1.00 0.00 C ATOM 0 H THR A 53 68.727 -1.720 -4.966 1.00 0.00 H new ATOM 0 HA THR A 53 66.348 -2.103 -6.814 1.00 0.00 H new ATOM 0 HB THR A 53 69.373 -2.382 -7.218 1.00 0.00 H new ATOM 0 HG1 THR A 53 68.235 -0.164 -6.811 1.00 0.00 H new ATOM 0 HG21 THR A 53 68.758 -2.365 -9.618 1.00 0.00 H new ATOM 0 HG22 THR A 53 67.955 -3.704 -8.763 1.00 0.00 H new ATOM 0 HG23 THR A 53 67.038 -2.235 -9.177 1.00 0.00 H new ATOM 744 N GLY A 54 66.248 -4.399 -5.791 1.00 0.00 N ATOM 745 CA GLY A 54 66.204 -5.849 -5.457 1.00 0.00 C ATOM 746 C GLY A 54 66.683 -6.024 -4.017 1.00 0.00 C ATOM 747 O GLY A 54 67.812 -6.403 -3.767 1.00 0.00 O ATOM 0 H GLY A 54 65.362 -3.904 -5.694 1.00 0.00 H new ATOM 0 HA2 GLY A 54 65.190 -6.234 -5.570 1.00 0.00 H new ATOM 0 HA3 GLY A 54 66.838 -6.415 -6.139 1.00 0.00 H new ATOM 751 N SER A 55 65.841 -5.727 -3.064 1.00 0.00 N ATOM 752 CA SER A 55 66.253 -5.850 -1.641 1.00 0.00 C ATOM 753 C SER A 55 65.034 -6.034 -0.731 1.00 0.00 C ATOM 754 O SER A 55 64.135 -5.218 -0.708 1.00 0.00 O ATOM 755 CB SER A 55 66.946 -4.525 -1.339 1.00 0.00 C ATOM 756 OG SER A 55 66.314 -3.482 -2.073 1.00 0.00 O ATOM 0 H SER A 55 64.885 -5.404 -3.212 1.00 0.00 H new ATOM 0 HA SER A 55 66.895 -6.714 -1.469 1.00 0.00 H new ATOM 0 HB2 SER A 55 66.899 -4.313 -0.271 1.00 0.00 H new ATOM 0 HB3 SER A 55 68.001 -4.585 -1.606 1.00 0.00 H new ATOM 0 HG SER A 55 66.917 -3.166 -2.778 1.00 0.00 H new ATOM 762 N ARG A 56 65.003 -7.096 0.027 1.00 0.00 N ATOM 763 CA ARG A 56 63.850 -7.328 0.945 1.00 0.00 C ATOM 764 C ARG A 56 64.100 -6.626 2.283 1.00 0.00 C ATOM 765 O ARG A 56 64.859 -7.097 3.107 1.00 0.00 O ATOM 766 CB ARG A 56 63.797 -8.845 1.143 1.00 0.00 C ATOM 767 CG ARG A 56 62.352 -9.332 1.010 1.00 0.00 C ATOM 768 CD ARG A 56 61.803 -9.703 2.389 1.00 0.00 C ATOM 769 NE ARG A 56 60.940 -10.892 2.143 1.00 0.00 N ATOM 770 CZ ARG A 56 60.160 -11.341 3.088 1.00 0.00 C ATOM 771 NH1 ARG A 56 60.652 -11.616 4.265 1.00 0.00 N ATOM 772 NH2 ARG A 56 58.890 -11.514 2.854 1.00 0.00 N ATOM 0 H ARG A 56 65.727 -7.814 0.051 1.00 0.00 H new ATOM 0 HA ARG A 56 62.915 -6.937 0.543 1.00 0.00 H new ATOM 0 HB2 ARG A 56 64.427 -9.340 0.404 1.00 0.00 H new ATOM 0 HB3 ARG A 56 64.191 -9.107 2.125 1.00 0.00 H new ATOM 0 HG2 ARG A 56 61.736 -8.553 0.560 1.00 0.00 H new ATOM 0 HG3 ARG A 56 62.309 -10.196 0.347 1.00 0.00 H new ATOM 0 HD2 ARG A 56 62.608 -9.935 3.087 1.00 0.00 H new ATOM 0 HD3 ARG A 56 61.232 -8.882 2.822 1.00 0.00 H new ATOM 0 HE ARG A 56 60.959 -11.356 1.235 1.00 0.00 H new ATOM 0 HH11 ARG A 56 61.646 -11.480 4.447 1.00 0.00 H new ATOM 0 HH12 ARG A 56 60.042 -11.967 5.003 1.00 0.00 H new ATOM 0 HH21 ARG A 56 58.507 -11.299 1.933 1.00 0.00 H new ATOM 0 HH22 ARG A 56 58.279 -11.865 3.591 1.00 0.00 H new ATOM 786 N ILE A 57 63.469 -5.505 2.511 1.00 0.00 N ATOM 787 CA ILE A 57 63.682 -4.789 3.799 1.00 0.00 C ATOM 788 C ILE A 57 62.685 -5.285 4.848 1.00 0.00 C ATOM 789 O ILE A 57 62.507 -4.678 5.885 1.00 0.00 O ATOM 790 CB ILE A 57 63.465 -3.309 3.479 1.00 0.00 C ATOM 791 CG1 ILE A 57 64.454 -2.883 2.390 1.00 0.00 C ATOM 792 CG2 ILE A 57 63.710 -2.472 4.737 1.00 0.00 C ATOM 793 CD1 ILE A 57 63.698 -2.562 1.101 1.00 0.00 C ATOM 0 H ILE A 57 62.819 -5.057 1.864 1.00 0.00 H new ATOM 0 HA ILE A 57 64.676 -4.961 4.211 1.00 0.00 H new ATOM 0 HB ILE A 57 62.443 -3.155 3.134 1.00 0.00 H new ATOM 0 HG12 ILE A 57 65.017 -2.010 2.719 1.00 0.00 H new ATOM 0 HG13 ILE A 57 65.176 -3.679 2.210 1.00 0.00 H new ATOM 0 HG21 ILE A 57 63.555 -1.418 4.508 1.00 0.00 H new ATOM 0 HG22 ILE A 57 63.016 -2.779 5.519 1.00 0.00 H new ATOM 0 HG23 ILE A 57 64.734 -2.622 5.080 1.00 0.00 H new ATOM 0 HD11 ILE A 57 64.406 -2.259 0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 57 63.155 -3.446 0.768 1.00 0.00 H new ATOM 0 HD13 ILE A 57 62.993 -1.751 1.285 1.00 0.00 H new ATOM 805 N SER A 58 62.045 -6.396 4.592 1.00 0.00 N ATOM 806 CA SER A 58 61.070 -6.939 5.584 1.00 0.00 C ATOM 807 C SER A 58 61.647 -6.819 6.997 1.00 0.00 C ATOM 808 O SER A 58 62.828 -7.018 7.212 1.00 0.00 O ATOM 809 CB SER A 58 60.893 -8.412 5.208 1.00 0.00 C ATOM 810 OG SER A 58 59.729 -8.562 4.406 1.00 0.00 O ATOM 0 H SER A 58 62.155 -6.949 3.742 1.00 0.00 H new ATOM 0 HA SER A 58 60.123 -6.400 5.571 1.00 0.00 H new ATOM 0 HB2 SER A 58 61.769 -8.767 4.666 1.00 0.00 H new ATOM 0 HB3 SER A 58 60.807 -9.020 6.109 1.00 0.00 H new ATOM 0 HG SER A 58 59.174 -9.284 4.767 1.00 0.00 H new ATOM 816 N GLY A 59 60.829 -6.493 7.963 1.00 0.00 N ATOM 817 CA GLY A 59 61.345 -6.365 9.357 1.00 0.00 C ATOM 818 C GLY A 59 60.254 -5.808 10.275 1.00 0.00 C ATOM 819 O GLY A 59 59.353 -5.130 9.829 1.00 0.00 O ATOM 0 H GLY A 59 59.832 -6.311 7.848 1.00 0.00 H new ATOM 0 HA2 GLY A 59 61.675 -7.338 9.721 1.00 0.00 H new ATOM 0 HA3 GLY A 59 62.214 -5.707 9.372 1.00 0.00 H new ATOM 823 N PRO A 60 60.389 -6.110 11.540 1.00 0.00 N ATOM 824 CA PRO A 60 59.416 -5.632 12.560 1.00 0.00 C ATOM 825 C PRO A 60 59.559 -4.123 12.774 1.00 0.00 C ATOM 826 O PRO A 60 58.827 -3.520 13.533 1.00 0.00 O ATOM 827 CB PRO A 60 59.815 -6.398 13.820 1.00 0.00 C ATOM 828 CG PRO A 60 61.254 -6.752 13.616 1.00 0.00 C ATOM 829 CD PRO A 60 61.454 -6.922 12.134 1.00 0.00 C ATOM 0 HA PRO A 60 58.378 -5.800 12.272 1.00 0.00 H new ATOM 0 HB2 PRO A 60 59.681 -5.787 14.713 1.00 0.00 H new ATOM 0 HB3 PRO A 60 59.203 -7.291 13.950 1.00 0.00 H new ATOM 0 HG2 PRO A 60 61.904 -5.969 14.006 1.00 0.00 H new ATOM 0 HG3 PRO A 60 61.506 -7.670 14.148 1.00 0.00 H new ATOM 0 HD2 PRO A 60 62.440 -6.578 11.822 1.00 0.00 H new ATOM 0 HD3 PRO A 60 61.372 -7.968 11.837 1.00 0.00 H new ATOM 837 N GLY A 61 60.498 -3.511 12.110 1.00 0.00 N ATOM 838 CA GLY A 61 60.696 -2.042 12.269 1.00 0.00 C ATOM 839 C GLY A 61 61.943 -1.610 11.494 1.00 0.00 C ATOM 840 O GLY A 61 62.637 -0.688 11.880 1.00 0.00 O ATOM 0 H GLY A 61 61.140 -3.966 11.461 1.00 0.00 H new ATOM 0 HA2 GLY A 61 59.822 -1.504 11.902 1.00 0.00 H new ATOM 0 HA3 GLY A 61 60.805 -1.791 13.324 1.00 0.00 H new ATOM 844 N CYS A 62 62.237 -2.267 10.406 1.00 0.00 N ATOM 845 CA CYS A 62 63.441 -1.895 9.610 1.00 0.00 C ATOM 846 C CYS A 62 63.461 -0.387 9.349 1.00 0.00 C ATOM 847 O CYS A 62 62.494 0.186 8.885 1.00 0.00 O ATOM 848 CB CYS A 62 63.308 -2.672 8.302 1.00 0.00 C ATOM 849 SG CYS A 62 64.828 -3.613 8.013 1.00 0.00 S ATOM 0 H CYS A 62 61.695 -3.046 10.033 1.00 0.00 H new ATOM 0 HA CYS A 62 64.369 -2.134 10.129 1.00 0.00 H new ATOM 0 HB2 CYS A 62 62.452 -3.346 8.350 1.00 0.00 H new ATOM 0 HB3 CYS A 62 63.127 -1.986 7.474 1.00 0.00 H new ATOM 854 N LYS A 63 64.554 0.258 9.650 1.00 0.00 N ATOM 855 CA LYS A 63 64.643 1.730 9.428 1.00 0.00 C ATOM 856 C LYS A 63 65.690 2.049 8.359 1.00 0.00 C ATOM 857 O LYS A 63 66.823 1.616 8.439 1.00 0.00 O ATOM 858 CB LYS A 63 65.084 2.300 10.774 1.00 0.00 C ATOM 859 CG LYS A 63 65.285 3.809 10.645 1.00 0.00 C ATOM 860 CD LYS A 63 66.202 4.290 11.768 1.00 0.00 C ATOM 861 CE LYS A 63 67.644 4.330 11.265 1.00 0.00 C ATOM 862 NZ LYS A 63 68.423 3.593 12.296 1.00 0.00 N ATOM 0 H LYS A 63 65.392 -0.172 10.041 1.00 0.00 H new ATOM 0 HA LYS A 63 63.697 2.149 9.085 1.00 0.00 H new ATOM 0 HB2 LYS A 63 64.334 2.086 11.535 1.00 0.00 H new ATOM 0 HB3 LYS A 63 66.010 1.825 11.097 1.00 0.00 H new ATOM 0 HG2 LYS A 63 65.721 4.049 9.675 1.00 0.00 H new ATOM 0 HG3 LYS A 63 64.325 4.322 10.698 1.00 0.00 H new ATOM 0 HD2 LYS A 63 65.895 5.280 12.104 1.00 0.00 H new ATOM 0 HD3 LYS A 63 66.123 3.624 12.627 1.00 0.00 H new ATOM 0 HE2 LYS A 63 67.736 3.858 10.287 1.00 0.00 H new ATOM 0 HE3 LYS A 63 67.998 5.355 11.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 69.439 3.759 12.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 68.151 3.929 13.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 68.224 2.575 12.220 1.00 0.00 H new ATOM 876 N ILE A 64 65.327 2.807 7.363 1.00 0.00 N ATOM 877 CA ILE A 64 66.309 3.154 6.303 1.00 0.00 C ATOM 878 C ILE A 64 66.150 4.626 5.908 1.00 0.00 C ATOM 879 O ILE A 64 65.074 5.185 5.984 1.00 0.00 O ATOM 880 CB ILE A 64 65.963 2.235 5.134 1.00 0.00 C ATOM 881 CG1 ILE A 64 65.833 0.790 5.637 1.00 0.00 C ATOM 882 CG2 ILE A 64 67.063 2.324 4.075 1.00 0.00 C ATOM 883 CD1 ILE A 64 65.896 -0.180 4.453 1.00 0.00 C ATOM 0 H ILE A 64 64.394 3.200 7.238 1.00 0.00 H new ATOM 0 HA ILE A 64 67.342 3.024 6.626 1.00 0.00 H new ATOM 0 HB ILE A 64 65.015 2.544 4.693 1.00 0.00 H new ATOM 0 HG12 ILE A 64 66.633 0.568 6.344 1.00 0.00 H new ATOM 0 HG13 ILE A 64 64.891 0.665 6.172 1.00 0.00 H new ATOM 0 HG21 ILE A 64 66.818 1.668 3.240 1.00 0.00 H new ATOM 0 HG22 ILE A 64 67.143 3.351 3.719 1.00 0.00 H new ATOM 0 HG23 ILE A 64 68.013 2.016 4.511 1.00 0.00 H new ATOM 0 HD11 ILE A 64 65.803 -1.204 4.816 1.00 0.00 H new ATOM 0 HD12 ILE A 64 65.081 0.035 3.762 1.00 0.00 H new ATOM 0 HD13 ILE A 64 66.849 -0.063 3.937 1.00 0.00 H new ATOM 895 N SER A 65 67.211 5.262 5.493 1.00 0.00 N ATOM 896 CA SER A 65 67.104 6.696 5.101 1.00 0.00 C ATOM 897 C SER A 65 68.079 7.021 3.966 1.00 0.00 C ATOM 898 O SER A 65 69.274 7.127 4.164 1.00 0.00 O ATOM 899 CB SER A 65 67.462 7.487 6.356 1.00 0.00 C ATOM 900 OG SER A 65 68.841 7.313 6.647 1.00 0.00 O ATOM 0 H SER A 65 68.142 4.854 5.409 1.00 0.00 H new ATOM 0 HA SER A 65 66.106 6.941 4.737 1.00 0.00 H new ATOM 0 HB2 SER A 65 67.241 8.544 6.208 1.00 0.00 H new ATOM 0 HB3 SER A 65 66.856 7.149 7.197 1.00 0.00 H new ATOM 0 HG SER A 65 69.356 7.328 5.813 1.00 0.00 H new ATOM 906 N THR A 66 67.568 7.187 2.780 1.00 0.00 N ATOM 907 CA THR A 66 68.439 7.516 1.617 1.00 0.00 C ATOM 908 C THR A 66 69.617 6.548 1.505 1.00 0.00 C ATOM 909 O THR A 66 70.748 6.904 1.767 1.00 0.00 O ATOM 910 CB THR A 66 68.944 8.933 1.875 1.00 0.00 C ATOM 911 OG1 THR A 66 67.882 9.734 2.374 1.00 0.00 O ATOM 912 CG2 THR A 66 69.463 9.520 0.562 1.00 0.00 C ATOM 0 H THR A 66 66.574 7.108 2.563 1.00 0.00 H new ATOM 0 HA THR A 66 67.887 7.437 0.681 1.00 0.00 H new ATOM 0 HB THR A 66 69.748 8.912 2.611 1.00 0.00 H new ATOM 0 HG1 THR A 66 68.208 10.643 2.541 1.00 0.00 H new ATOM 0 HG21 THR A 66 69.827 10.533 0.735 1.00 0.00 H new ATOM 0 HG22 THR A 66 70.277 8.902 0.184 1.00 0.00 H new ATOM 0 HG23 THR A 66 68.656 9.544 -0.170 1.00 0.00 H new ATOM 920 N CYS A 67 69.367 5.339 1.092 1.00 0.00 N ATOM 921 CA CYS A 67 70.479 4.357 0.937 1.00 0.00 C ATOM 922 C CYS A 67 70.410 3.724 -0.453 1.00 0.00 C ATOM 923 O CYS A 67 69.433 3.096 -0.807 1.00 0.00 O ATOM 924 CB CYS A 67 70.241 3.292 2.006 1.00 0.00 C ATOM 925 SG CYS A 67 71.724 2.272 2.175 1.00 0.00 S ATOM 0 H CYS A 67 68.440 4.986 0.854 1.00 0.00 H new ATOM 0 HA CYS A 67 71.457 4.825 1.046 1.00 0.00 H new ATOM 0 HB2 CYS A 67 70.000 3.764 2.958 1.00 0.00 H new ATOM 0 HB3 CYS A 67 69.388 2.671 1.733 1.00 0.00 H new ATOM 930 N ILE A 68 71.435 3.878 -1.243 1.00 0.00 N ATOM 931 CA ILE A 68 71.415 3.276 -2.607 1.00 0.00 C ATOM 932 C ILE A 68 70.970 1.812 -2.525 1.00 0.00 C ATOM 933 O ILE A 68 69.858 1.470 -2.873 1.00 0.00 O ATOM 934 CB ILE A 68 72.857 3.384 -3.112 1.00 0.00 C ATOM 935 CG1 ILE A 68 73.076 4.768 -3.726 1.00 0.00 C ATOM 936 CG2 ILE A 68 73.123 2.316 -4.177 1.00 0.00 C ATOM 937 CD1 ILE A 68 72.749 5.847 -2.693 1.00 0.00 C ATOM 0 H ILE A 68 72.283 4.392 -1.006 1.00 0.00 H new ATOM 0 HA ILE A 68 70.718 3.780 -3.277 1.00 0.00 H new ATOM 0 HB ILE A 68 73.539 3.235 -2.275 1.00 0.00 H new ATOM 0 HG12 ILE A 68 74.109 4.870 -4.058 1.00 0.00 H new ATOM 0 HG13 ILE A 68 72.445 4.890 -4.606 1.00 0.00 H new ATOM 0 HG21 ILE A 68 74.151 2.402 -4.529 1.00 0.00 H new ATOM 0 HG22 ILE A 68 72.968 1.327 -3.747 1.00 0.00 H new ATOM 0 HG23 ILE A 68 72.440 2.459 -5.014 1.00 0.00 H new ATOM 0 HD11 ILE A 68 72.906 6.832 -3.133 1.00 0.00 H new ATOM 0 HD12 ILE A 68 71.709 5.750 -2.382 1.00 0.00 H new ATOM 0 HD13 ILE A 68 73.399 5.729 -1.826 1.00 0.00 H new ATOM 949 N ILE A 69 71.837 0.947 -2.074 1.00 0.00 N ATOM 950 CA ILE A 69 71.470 -0.496 -1.974 1.00 0.00 C ATOM 951 C ILE A 69 71.173 -1.051 -3.371 1.00 0.00 C ATOM 952 O ILE A 69 70.580 -0.386 -4.196 1.00 0.00 O ATOM 953 CB ILE A 69 70.224 -0.520 -1.090 1.00 0.00 C ATOM 954 CG1 ILE A 69 70.455 0.385 0.125 1.00 0.00 C ATOM 955 CG2 ILE A 69 69.953 -1.953 -0.624 1.00 0.00 C ATOM 956 CD1 ILE A 69 69.268 0.280 1.080 1.00 0.00 C ATOM 0 H ILE A 69 72.783 1.176 -1.770 1.00 0.00 H new ATOM 0 HA ILE A 69 72.267 -1.111 -1.556 1.00 0.00 H new ATOM 0 HB ILE A 69 69.364 -0.161 -1.655 1.00 0.00 H new ATOM 0 HG12 ILE A 69 71.372 0.095 0.637 1.00 0.00 H new ATOM 0 HG13 ILE A 69 70.583 1.418 -0.198 1.00 0.00 H new ATOM 0 HG21 ILE A 69 69.064 -1.969 0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 69 69.794 -2.594 -1.491 1.00 0.00 H new ATOM 0 HG23 ILE A 69 70.808 -2.318 -0.055 1.00 0.00 H new ATOM 0 HD11 ILE A 69 69.437 0.925 1.942 1.00 0.00 H new ATOM 0 HD12 ILE A 69 68.359 0.592 0.566 1.00 0.00 H new ATOM 0 HD13 ILE A 69 69.160 -0.752 1.414 1.00 0.00 H new ATOM 968 N THR A 70 71.594 -2.257 -3.651 1.00 0.00 N ATOM 969 CA THR A 70 71.344 -2.829 -5.009 1.00 0.00 C ATOM 970 C THR A 70 71.589 -4.344 -5.030 1.00 0.00 C ATOM 971 O THR A 70 72.714 -4.794 -5.098 1.00 0.00 O ATOM 972 CB THR A 70 72.362 -2.128 -5.911 1.00 0.00 C ATOM 973 OG1 THR A 70 72.099 -0.731 -5.926 1.00 0.00 O ATOM 974 CG2 THR A 70 72.264 -2.695 -7.330 1.00 0.00 C ATOM 0 H THR A 70 72.096 -2.866 -3.005 1.00 0.00 H new ATOM 0 HA THR A 70 70.312 -2.677 -5.327 1.00 0.00 H new ATOM 0 HB THR A 70 73.368 -2.298 -5.528 1.00 0.00 H new ATOM 0 HG1 THR A 70 71.177 -0.569 -5.637 1.00 0.00 H new ATOM 0 HG21 THR A 70 72.989 -2.195 -7.972 1.00 0.00 H new ATOM 0 HG22 THR A 70 72.473 -3.765 -7.310 1.00 0.00 H new ATOM 0 HG23 THR A 70 71.260 -2.529 -7.720 1.00 0.00 H new ATOM 982 N GLY A 71 70.549 -5.133 -4.993 1.00 0.00 N ATOM 983 CA GLY A 71 70.737 -6.616 -5.027 1.00 0.00 C ATOM 984 C GLY A 71 70.800 -7.158 -3.600 1.00 0.00 C ATOM 985 O GLY A 71 71.355 -8.210 -3.347 1.00 0.00 O ATOM 0 H GLY A 71 69.580 -4.818 -4.941 1.00 0.00 H new ATOM 0 HA2 GLY A 71 69.915 -7.084 -5.569 1.00 0.00 H new ATOM 0 HA3 GLY A 71 71.654 -6.864 -5.562 1.00 0.00 H new ATOM 989 N GLY A 72 70.237 -6.447 -2.666 1.00 0.00 N ATOM 990 CA GLY A 72 70.265 -6.913 -1.252 1.00 0.00 C ATOM 991 C GLY A 72 71.573 -6.465 -0.594 1.00 0.00 C ATOM 992 O GLY A 72 71.897 -6.860 0.510 1.00 0.00 O ATOM 0 H GLY A 72 69.757 -5.560 -2.820 1.00 0.00 H new ATOM 0 HA2 GLY A 72 69.413 -6.507 -0.707 1.00 0.00 H new ATOM 0 HA3 GLY A 72 70.179 -7.999 -1.214 1.00 0.00 H new ATOM 996 N VAL A 73 72.323 -5.638 -1.271 1.00 0.00 N ATOM 997 CA VAL A 73 73.616 -5.145 -0.713 1.00 0.00 C ATOM 998 C VAL A 73 73.516 -3.646 -0.418 1.00 0.00 C ATOM 999 O VAL A 73 73.241 -2.867 -1.306 1.00 0.00 O ATOM 1000 CB VAL A 73 74.633 -5.387 -1.828 1.00 0.00 C ATOM 1001 CG1 VAL A 73 74.628 -6.866 -2.220 1.00 0.00 C ATOM 1002 CG2 VAL A 73 74.262 -4.533 -3.050 1.00 0.00 C ATOM 0 H VAL A 73 72.093 -5.279 -2.197 1.00 0.00 H new ATOM 0 HA VAL A 73 73.888 -5.645 0.216 1.00 0.00 H new ATOM 0 HB VAL A 73 75.627 -5.111 -1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 73 75.354 -7.034 -3.015 1.00 0.00 H new ATOM 0 HG12 VAL A 73 74.891 -7.473 -1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 73 73.635 -7.146 -2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 73 74.986 -4.704 -3.847 1.00 0.00 H new ATOM 0 HG22 VAL A 73 73.267 -4.809 -3.399 1.00 0.00 H new ATOM 0 HG23 VAL A 73 74.269 -3.479 -2.773 1.00 0.00 H new ATOM 1012 N PRO A 74 73.744 -3.286 0.819 1.00 0.00 N ATOM 1013 CA PRO A 74 73.673 -1.862 1.214 1.00 0.00 C ATOM 1014 C PRO A 74 74.934 -1.121 0.765 1.00 0.00 C ATOM 1015 O PRO A 74 76.039 -1.495 1.103 1.00 0.00 O ATOM 1016 CB PRO A 74 73.590 -1.911 2.736 1.00 0.00 C ATOM 1017 CG PRO A 74 74.214 -3.216 3.124 1.00 0.00 C ATOM 1018 CD PRO A 74 74.087 -4.157 1.948 1.00 0.00 C ATOM 0 HA PRO A 74 72.831 -1.337 0.763 1.00 0.00 H new ATOM 0 HB2 PRO A 74 74.121 -1.072 3.186 1.00 0.00 H new ATOM 0 HB3 PRO A 74 72.556 -1.853 3.076 1.00 0.00 H new ATOM 0 HG2 PRO A 74 75.262 -3.075 3.389 1.00 0.00 H new ATOM 0 HG3 PRO A 74 73.717 -3.631 4.001 1.00 0.00 H new ATOM 0 HD2 PRO A 74 75.018 -4.694 1.767 1.00 0.00 H new ATOM 0 HD3 PRO A 74 73.315 -4.907 2.121 1.00 0.00 H new ATOM 1026 N ALA A 75 74.776 -0.071 0.010 1.00 0.00 N ATOM 1027 CA ALA A 75 75.965 0.695 -0.456 1.00 0.00 C ATOM 1028 C ALA A 75 76.362 1.734 0.599 1.00 0.00 C ATOM 1029 O ALA A 75 75.515 2.368 1.196 1.00 0.00 O ATOM 1030 CB ALA A 75 75.516 1.383 -1.743 1.00 0.00 C ATOM 0 H ALA A 75 73.875 0.290 -0.305 1.00 0.00 H new ATOM 0 HA ALA A 75 76.833 0.056 -0.621 1.00 0.00 H new ATOM 0 HB1 ALA A 75 76.340 1.969 -2.149 1.00 0.00 H new ATOM 0 HB2 ALA A 75 75.213 0.631 -2.471 1.00 0.00 H new ATOM 0 HB3 ALA A 75 74.674 2.041 -1.529 1.00 0.00 H new ATOM 1036 N PRO A 76 77.644 1.864 0.793 1.00 0.00 N ATOM 1037 CA PRO A 76 78.174 2.826 1.791 1.00 0.00 C ATOM 1038 C PRO A 76 78.020 4.268 1.300 1.00 0.00 C ATOM 1039 O PRO A 76 78.880 4.798 0.629 1.00 0.00 O ATOM 1040 CB PRO A 76 79.649 2.455 1.893 1.00 0.00 C ATOM 1041 CG PRO A 76 79.973 1.798 0.588 1.00 0.00 C ATOM 1042 CD PRO A 76 78.712 1.132 0.107 1.00 0.00 C ATOM 0 HA PRO A 76 77.649 2.774 2.745 1.00 0.00 H new ATOM 0 HB2 PRO A 76 80.268 3.338 2.055 1.00 0.00 H new ATOM 0 HB3 PRO A 76 79.830 1.781 2.730 1.00 0.00 H new ATOM 0 HG2 PRO A 76 80.322 2.533 -0.138 1.00 0.00 H new ATOM 0 HG3 PRO A 76 80.772 1.067 0.712 1.00 0.00 H new ATOM 0 HD2 PRO A 76 78.612 1.201 -0.976 1.00 0.00 H new ATOM 0 HD3 PRO A 76 78.698 0.072 0.362 1.00 0.00 H new ATOM 1050 N SER A 77 76.935 4.911 1.636 1.00 0.00 N ATOM 1051 CA SER A 77 76.738 6.321 1.190 1.00 0.00 C ATOM 1052 C SER A 77 76.582 7.249 2.400 1.00 0.00 C ATOM 1053 O SER A 77 76.053 6.865 3.424 1.00 0.00 O ATOM 1054 CB SER A 77 75.454 6.300 0.365 1.00 0.00 C ATOM 1055 OG SER A 77 75.562 7.246 -0.690 1.00 0.00 O ATOM 0 H SER A 77 76.178 4.523 2.199 1.00 0.00 H new ATOM 0 HA SER A 77 77.588 6.691 0.616 1.00 0.00 H new ATOM 0 HB2 SER A 77 75.284 5.303 -0.041 1.00 0.00 H new ATOM 0 HB3 SER A 77 74.598 6.537 0.996 1.00 0.00 H new ATOM 0 HG SER A 77 74.690 7.352 -1.125 1.00 0.00 H new ATOM 1061 N ALA A 78 77.039 8.467 2.287 1.00 0.00 N ATOM 1062 CA ALA A 78 76.920 9.424 3.427 1.00 0.00 C ATOM 1063 C ALA A 78 75.445 9.709 3.739 1.00 0.00 C ATOM 1064 O ALA A 78 75.118 10.284 4.758 1.00 0.00 O ATOM 1065 CB ALA A 78 77.623 10.696 2.946 1.00 0.00 C ATOM 0 H ALA A 78 77.491 8.842 1.453 1.00 0.00 H new ATOM 0 HA ALA A 78 77.362 9.031 4.342 1.00 0.00 H new ATOM 0 HB1 ALA A 78 77.580 11.453 3.729 1.00 0.00 H new ATOM 0 HB2 ALA A 78 78.664 10.471 2.715 1.00 0.00 H new ATOM 0 HB3 ALA A 78 77.126 11.070 2.051 1.00 0.00 H new ATOM 1071 N ALA A 79 74.554 9.312 2.870 1.00 0.00 N ATOM 1072 CA ALA A 79 73.103 9.565 3.115 1.00 0.00 C ATOM 1073 C ALA A 79 72.398 8.279 3.570 1.00 0.00 C ATOM 1074 O ALA A 79 71.320 8.318 4.127 1.00 0.00 O ATOM 1075 CB ALA A 79 72.555 10.032 1.766 1.00 0.00 C ATOM 0 H ALA A 79 74.768 8.823 2.001 1.00 0.00 H new ATOM 0 HA ALA A 79 72.941 10.301 3.902 1.00 0.00 H new ATOM 0 HB1 ALA A 79 71.489 10.240 1.859 1.00 0.00 H new ATOM 0 HB2 ALA A 79 73.076 10.938 1.455 1.00 0.00 H new ATOM 0 HB3 ALA A 79 72.709 9.251 1.021 1.00 0.00 H new ATOM 1081 N CYS A 80 72.998 7.141 3.337 1.00 0.00 N ATOM 1082 CA CYS A 80 72.363 5.855 3.759 1.00 0.00 C ATOM 1083 C CYS A 80 72.425 5.717 5.288 1.00 0.00 C ATOM 1084 O CYS A 80 73.218 6.366 5.941 1.00 0.00 O ATOM 1085 CB CYS A 80 73.184 4.773 3.051 1.00 0.00 C ATOM 1086 SG CYS A 80 72.744 3.140 3.685 1.00 0.00 S ATOM 0 H CYS A 80 73.901 7.045 2.872 1.00 0.00 H new ATOM 0 HA CYS A 80 71.308 5.788 3.495 1.00 0.00 H new ATOM 0 HB2 CYS A 80 73.004 4.815 1.977 1.00 0.00 H new ATOM 0 HB3 CYS A 80 74.248 4.956 3.203 1.00 0.00 H new ATOM 1091 N LYS A 81 71.566 4.916 5.870 1.00 0.00 N ATOM 1092 CA LYS A 81 71.554 4.791 7.363 1.00 0.00 C ATOM 1093 C LYS A 81 72.255 3.510 7.865 1.00 0.00 C ATOM 1094 O LYS A 81 72.512 3.380 9.045 1.00 0.00 O ATOM 1095 CB LYS A 81 70.059 4.791 7.728 1.00 0.00 C ATOM 1096 CG LYS A 81 69.510 3.359 7.779 1.00 0.00 C ATOM 1097 CD LYS A 81 69.628 2.705 6.402 1.00 0.00 C ATOM 1098 CE LYS A 81 69.339 1.212 6.525 1.00 0.00 C ATOM 1099 NZ LYS A 81 70.376 0.543 5.696 1.00 0.00 N ATOM 0 H LYS A 81 70.876 4.346 5.380 1.00 0.00 H new ATOM 0 HA LYS A 81 72.108 5.602 7.835 1.00 0.00 H new ATOM 0 HB2 LYS A 81 69.916 5.275 8.694 1.00 0.00 H new ATOM 0 HB3 LYS A 81 69.501 5.373 6.995 1.00 0.00 H new ATOM 0 HG2 LYS A 81 70.061 2.775 8.516 1.00 0.00 H new ATOM 0 HG3 LYS A 81 68.467 3.371 8.097 1.00 0.00 H new ATOM 0 HD2 LYS A 81 68.927 3.166 5.707 1.00 0.00 H new ATOM 0 HD3 LYS A 81 70.628 2.861 5.997 1.00 0.00 H new ATOM 0 HE2 LYS A 81 69.394 0.885 7.563 1.00 0.00 H new ATOM 0 HE3 LYS A 81 68.337 0.975 6.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 69.919 0.035 4.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 71.028 1.257 5.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 70.908 -0.131 6.283 1.00 0.00 H new ATOM 1113 N ILE A 82 72.562 2.579 6.990 1.00 0.00 N ATOM 1114 CA ILE A 82 73.240 1.303 7.406 1.00 0.00 C ATOM 1115 C ILE A 82 72.929 0.954 8.865 1.00 0.00 C ATOM 1116 O ILE A 82 73.820 0.690 9.647 1.00 0.00 O ATOM 1117 CB ILE A 82 74.735 1.566 7.242 1.00 0.00 C ATOM 1118 CG1 ILE A 82 75.009 2.146 5.851 1.00 0.00 C ATOM 1119 CG2 ILE A 82 75.498 0.250 7.402 1.00 0.00 C ATOM 1120 CD1 ILE A 82 74.666 1.108 4.781 1.00 0.00 C ATOM 0 H ILE A 82 72.369 2.649 5.991 1.00 0.00 H new ATOM 0 HA ILE A 82 72.895 0.462 6.804 1.00 0.00 H new ATOM 0 HB ILE A 82 75.063 2.278 8.000 1.00 0.00 H new ATOM 0 HG12 ILE A 82 74.416 3.048 5.699 1.00 0.00 H new ATOM 0 HG13 ILE A 82 76.056 2.436 5.767 1.00 0.00 H new ATOM 0 HG21 ILE A 82 76.566 0.432 7.286 1.00 0.00 H new ATOM 0 HG22 ILE A 82 75.306 -0.164 8.392 1.00 0.00 H new ATOM 0 HG23 ILE A 82 75.166 -0.458 6.642 1.00 0.00 H new ATOM 0 HD11 ILE A 82 74.862 1.525 3.793 1.00 0.00 H new ATOM 0 HD12 ILE A 82 75.278 0.218 4.928 1.00 0.00 H new ATOM 0 HD13 ILE A 82 73.612 0.840 4.859 1.00 0.00 H new ATOM 1132 N SER A 83 71.678 0.958 9.249 1.00 0.00 N ATOM 1133 CA SER A 83 71.351 0.635 10.665 1.00 0.00 C ATOM 1134 C SER A 83 70.693 -0.742 10.774 1.00 0.00 C ATOM 1135 O SER A 83 70.856 -1.592 9.922 1.00 0.00 O ATOM 1136 CB SER A 83 70.388 1.732 11.116 1.00 0.00 C ATOM 1137 OG SER A 83 71.030 2.996 10.998 1.00 0.00 O ATOM 0 H SER A 83 70.880 1.168 8.650 1.00 0.00 H new ATOM 0 HA SER A 83 72.245 0.598 11.287 1.00 0.00 H new ATOM 0 HB2 SER A 83 69.484 1.712 10.507 1.00 0.00 H new ATOM 0 HB3 SER A 83 70.081 1.561 12.148 1.00 0.00 H new ATOM 0 HG SER A 83 71.908 2.879 10.578 1.00 0.00 H new ATOM 1143 N GLY A 84 69.965 -0.966 11.834 1.00 0.00 N ATOM 1144 CA GLY A 84 69.303 -2.287 12.031 1.00 0.00 C ATOM 1145 C GLY A 84 68.316 -2.568 10.900 1.00 0.00 C ATOM 1146 O GLY A 84 67.192 -2.105 10.912 1.00 0.00 O ATOM 0 H GLY A 84 69.799 -0.286 12.576 1.00 0.00 H new ATOM 0 HA2 GLY A 84 70.055 -3.075 12.068 1.00 0.00 H new ATOM 0 HA3 GLY A 84 68.781 -2.299 12.988 1.00 0.00 H new ATOM 1150 N CYS A 85 68.722 -3.337 9.930 1.00 0.00 N ATOM 1151 CA CYS A 85 67.804 -3.665 8.806 1.00 0.00 C ATOM 1152 C CYS A 85 68.432 -4.752 7.928 1.00 0.00 C ATOM 1153 O CYS A 85 69.415 -5.361 8.293 1.00 0.00 O ATOM 1154 CB CYS A 85 67.653 -2.353 8.034 1.00 0.00 C ATOM 1155 SG CYS A 85 66.081 -2.295 7.120 1.00 0.00 S ATOM 0 H CYS A 85 69.651 -3.753 9.867 1.00 0.00 H new ATOM 0 HA CYS A 85 66.840 -4.048 9.141 1.00 0.00 H new ATOM 0 HB2 CYS A 85 67.703 -1.514 8.728 1.00 0.00 H new ATOM 0 HB3 CYS A 85 68.484 -2.241 7.338 1.00 0.00 H new ATOM 1160 N THR A 86 67.879 -5.002 6.773 1.00 0.00 N ATOM 1161 CA THR A 86 68.459 -6.049 5.884 1.00 0.00 C ATOM 1162 C THR A 86 67.683 -6.097 4.576 1.00 0.00 C ATOM 1163 O THR A 86 66.554 -5.670 4.503 1.00 0.00 O ATOM 1164 CB THR A 86 68.295 -7.363 6.642 1.00 0.00 C ATOM 1165 OG1 THR A 86 68.644 -8.444 5.790 1.00 0.00 O ATOM 1166 CG2 THR A 86 66.841 -7.514 7.092 1.00 0.00 C ATOM 0 H THR A 86 67.053 -4.528 6.407 1.00 0.00 H new ATOM 0 HA THR A 86 69.503 -5.851 5.642 1.00 0.00 H new ATOM 0 HB THR A 86 68.946 -7.364 7.516 1.00 0.00 H new ATOM 0 HG1 THR A 86 68.541 -9.289 6.275 1.00 0.00 H new ATOM 0 HG21 THR A 86 66.723 -8.453 7.634 1.00 0.00 H new ATOM 0 HG22 THR A 86 66.574 -6.683 7.744 1.00 0.00 H new ATOM 0 HG23 THR A 86 66.188 -7.514 6.219 1.00 0.00 H new ATOM 1174 N PHE A 87 68.278 -6.612 3.541 1.00 0.00 N ATOM 1175 CA PHE A 87 67.561 -6.677 2.239 1.00 0.00 C ATOM 1176 C PHE A 87 67.407 -8.131 1.782 1.00 0.00 C ATOM 1177 O PHE A 87 66.336 -8.560 1.410 1.00 0.00 O ATOM 1178 CB PHE A 87 68.450 -5.909 1.266 1.00 0.00 C ATOM 1179 CG PHE A 87 68.788 -4.554 1.839 1.00 0.00 C ATOM 1180 CD1 PHE A 87 67.882 -3.902 2.679 1.00 0.00 C ATOM 1181 CD2 PHE A 87 70.012 -3.950 1.527 1.00 0.00 C ATOM 1182 CE1 PHE A 87 68.197 -2.645 3.210 1.00 0.00 C ATOM 1183 CE2 PHE A 87 70.328 -2.693 2.056 1.00 0.00 C ATOM 1184 CZ PHE A 87 69.421 -2.042 2.900 1.00 0.00 C ATOM 0 H PHE A 87 69.226 -6.990 3.538 1.00 0.00 H new ATOM 0 HA PHE A 87 66.557 -6.258 2.303 1.00 0.00 H new ATOM 0 HB2 PHE A 87 69.364 -6.471 1.074 1.00 0.00 H new ATOM 0 HB3 PHE A 87 67.941 -5.792 0.309 1.00 0.00 H new ATOM 0 HD1 PHE A 87 66.938 -4.368 2.919 1.00 0.00 H new ATOM 0 HD2 PHE A 87 70.713 -4.454 0.878 1.00 0.00 H new ATOM 0 HE1 PHE A 87 67.495 -2.141 3.858 1.00 0.00 H new ATOM 0 HE2 PHE A 87 71.271 -2.226 1.813 1.00 0.00 H new ATOM 0 HZ PHE A 87 69.666 -1.074 3.312 1.00 0.00 H new ATOM 1194 N SER A 88 68.471 -8.885 1.795 1.00 0.00 N ATOM 1195 CA SER A 88 68.387 -10.307 1.348 1.00 0.00 C ATOM 1196 C SER A 88 67.963 -10.366 -0.125 1.00 0.00 C ATOM 1197 O SER A 88 67.628 -11.412 -0.642 1.00 0.00 O ATOM 1198 CB SER A 88 67.330 -10.955 2.244 1.00 0.00 C ATOM 1199 OG SER A 88 67.642 -10.689 3.606 1.00 0.00 O ATOM 0 H SER A 88 69.396 -8.579 2.096 1.00 0.00 H new ATOM 0 HA SER A 88 69.344 -10.822 1.427 1.00 0.00 H new ATOM 0 HB2 SER A 88 66.342 -10.564 2.002 1.00 0.00 H new ATOM 0 HB3 SER A 88 67.298 -12.030 2.069 1.00 0.00 H new ATOM 0 HG SER A 88 66.966 -11.101 4.183 1.00 0.00 H new ATOM 1205 N ALA A 89 67.982 -9.246 -0.801 1.00 0.00 N ATOM 1206 CA ALA A 89 67.585 -9.225 -2.240 1.00 0.00 C ATOM 1207 C ALA A 89 66.163 -9.773 -2.410 1.00 0.00 C ATOM 1208 O ALA A 89 65.880 -10.909 -2.085 1.00 0.00 O ATOM 1209 CB ALA A 89 68.601 -10.123 -2.947 1.00 0.00 C ATOM 0 H ALA A 89 68.256 -8.342 -0.416 1.00 0.00 H new ATOM 0 HA ALA A 89 67.582 -8.216 -2.651 1.00 0.00 H new ATOM 0 HB1 ALA A 89 68.375 -10.159 -4.013 1.00 0.00 H new ATOM 0 HB2 ALA A 89 69.604 -9.722 -2.802 1.00 0.00 H new ATOM 0 HB3 ALA A 89 68.549 -11.129 -2.531 1.00 0.00 H new ATOM 1215 N ASN A 90 65.267 -8.970 -2.919 1.00 0.00 N ATOM 1216 CA ASN A 90 63.862 -9.439 -3.114 1.00 0.00 C ATOM 1217 C ASN A 90 63.206 -8.677 -4.270 1.00 0.00 C ATOM 1218 O ASN A 90 62.343 -9.248 -4.915 1.00 0.00 O ATOM 1219 CB ASN A 90 63.156 -9.137 -1.787 1.00 0.00 C ATOM 1220 CG ASN A 90 61.640 -9.081 -1.997 1.00 0.00 C ATOM 1221 OD1 ASN A 90 60.956 -8.110 -1.455 1.00 0.00 O flip ATOM 1222 ND2 ASN A 90 61.075 -9.929 -2.657 1.00 0.00 N flip ATOM 1223 OXT ASN A 90 63.579 -7.537 -4.489 1.00 0.00 O ATOM 0 H ASN A 90 65.446 -8.009 -3.209 1.00 0.00 H new ATOM 0 HA ASN A 90 63.808 -10.498 -3.368 1.00 0.00 H new ATOM 0 HB2 ASN A 90 63.401 -9.905 -1.053 1.00 0.00 H new ATOM 0 HB3 ASN A 90 63.510 -8.188 -1.386 1.00 0.00 H new ATOM 0 HD21 ASN A 90 61.611 -10.687 -3.080 1.00 0.00 H new ATOM 0 HD22 ASN A 90 60.065 -9.883 -2.789 1.00 0.00 H new