USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 442 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 TYR OH : rot 165:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -120:sc= 0.332 USER MOD Single : A 21 ASN : amide:sc= 0.00676 K(o=0.0068,f=-4!) USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 43:sc= 1.18 USER MOD Single : A 28 HIS : no HD1:sc= -0.553 X(o=-0.55,f=-0.39) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -1.25 K(o=-1.3,f=-3.4) USER MOD Single : A 49 SER OG : rot 55:sc= 0.52 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.453 K(o=-0.45,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 77 N GLY A 9 3.483 -4.686 -0.025 1.00 0.00 N ATOM 78 CA GLY A 9 2.252 -4.005 -0.381 1.00 0.00 C ATOM 79 C GLY A 9 2.253 -2.548 0.039 1.00 0.00 C ATOM 80 O GLY A 9 2.436 -2.234 1.215 1.00 0.00 O ATOM 0 HA2 GLY A 9 2.104 -4.069 -1.459 1.00 0.00 H new ATOM 0 HA3 GLY A 9 1.410 -4.514 0.088 1.00 0.00 H new ATOM 84 N TYR A 10 2.051 -1.656 -0.924 1.00 0.00 N ATOM 85 CA TYR A 10 2.034 -0.225 -0.649 1.00 0.00 C ATOM 86 C TYR A 10 0.863 0.452 -1.356 1.00 0.00 C ATOM 87 O TYR A 10 0.606 0.202 -2.534 1.00 0.00 O ATOM 88 CB TYR A 10 3.350 0.417 -1.090 1.00 0.00 C ATOM 89 CG TYR A 10 4.442 0.339 -0.047 1.00 0.00 C ATOM 90 CD1 TYR A 10 4.980 -0.884 0.333 1.00 0.00 C ATOM 91 CD2 TYR A 10 4.933 1.488 0.560 1.00 0.00 C ATOM 92 CE1 TYR A 10 5.977 -0.961 1.287 1.00 0.00 C ATOM 93 CE2 TYR A 10 5.931 1.421 1.513 1.00 0.00 C ATOM 94 CZ TYR A 10 6.449 0.195 1.874 1.00 0.00 C ATOM 95 OH TYR A 10 7.442 0.124 2.824 1.00 0.00 O ATOM 0 H TYR A 10 1.897 -1.899 -1.903 1.00 0.00 H new ATOM 0 HA TYR A 10 1.914 -0.089 0.426 1.00 0.00 H new ATOM 0 HB2 TYR A 10 3.695 -0.071 -2.002 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.169 1.463 -1.337 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.613 -1.791 -0.125 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.528 2.450 0.282 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.384 -1.920 1.571 1.00 0.00 H new ATOM 0 HE2 TYR A 10 6.304 2.324 1.973 1.00 0.00 H new ATOM 0 HH TYR A 10 7.827 1.015 2.962 1.00 0.00 H new ATOM 105 N VAL A 11 0.157 1.312 -0.628 1.00 0.00 N ATOM 106 CA VAL A 11 -0.985 2.027 -1.184 1.00 0.00 C ATOM 107 C VAL A 11 -0.908 3.516 -0.867 1.00 0.00 C ATOM 108 O VAL A 11 -0.390 3.913 0.177 1.00 0.00 O ATOM 109 CB VAL A 11 -2.315 1.467 -0.645 1.00 0.00 C ATOM 110 CG1 VAL A 11 -2.622 0.118 -1.278 1.00 0.00 C ATOM 111 CG2 VAL A 11 -2.269 1.355 0.871 1.00 0.00 C ATOM 0 H VAL A 11 0.356 1.530 0.348 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.951 1.886 -2.264 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.115 2.157 -0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.565 -0.262 -0.885 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.699 0.233 -2.359 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.822 -0.584 -1.044 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.216 0.958 1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.459 0.686 1.162 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.098 2.341 1.304 1.00 0.00 H new ATOM 121 N ILE A 12 -1.426 4.336 -1.775 1.00 0.00 N ATOM 122 CA ILE A 12 -1.418 5.782 -1.592 1.00 0.00 C ATOM 123 C ILE A 12 -2.810 6.301 -1.249 1.00 0.00 C ATOM 124 O ILE A 12 -3.814 5.783 -1.736 1.00 0.00 O ATOM 125 CB ILE A 12 -0.908 6.507 -2.852 1.00 0.00 C ATOM 126 CG1 ILE A 12 -0.793 8.010 -2.590 1.00 0.00 C ATOM 127 CG2 ILE A 12 -1.834 6.237 -4.028 1.00 0.00 C ATOM 128 CD1 ILE A 12 0.169 8.713 -3.523 1.00 0.00 C ATOM 0 H ILE A 12 -1.857 4.023 -2.645 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.741 5.991 -0.764 1.00 0.00 H new ATOM 0 HB ILE A 12 0.082 6.124 -3.099 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.779 8.464 -2.688 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.470 8.168 -1.561 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.461 6.756 -4.911 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.870 5.165 -4.224 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.836 6.596 -3.792 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.201 9.775 -3.280 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.165 8.285 -3.409 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.165 8.586 -4.553 1.00 0.00 H new ATOM 140 N ALA A 13 -2.862 7.329 -0.407 1.00 0.00 N ATOM 141 CA ALA A 13 -4.131 7.921 -0.002 1.00 0.00 C ATOM 142 C ALA A 13 -4.683 8.835 -1.091 1.00 0.00 C ATOM 143 O ALA A 13 -4.009 9.766 -1.534 1.00 0.00 O ATOM 144 CB ALA A 13 -3.962 8.689 1.300 1.00 0.00 C ATOM 0 H ALA A 13 -2.040 7.768 0.007 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.847 7.114 0.155 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.917 9.126 1.591 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.620 8.010 2.081 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.227 9.482 1.162 1.00 0.00 H new ATOM 150 N LEU A 14 -5.910 8.563 -1.518 1.00 0.00 N ATOM 151 CA LEU A 14 -6.553 9.362 -2.557 1.00 0.00 C ATOM 152 C LEU A 14 -7.181 10.620 -1.966 1.00 0.00 C ATOM 153 O LEU A 14 -7.468 11.578 -2.683 1.00 0.00 O ATOM 154 CB LEU A 14 -7.620 8.535 -3.276 1.00 0.00 C ATOM 155 CG LEU A 14 -7.186 7.150 -3.756 1.00 0.00 C ATOM 156 CD1 LEU A 14 -8.390 6.233 -3.901 1.00 0.00 C ATOM 157 CD2 LEU A 14 -6.430 7.254 -5.073 1.00 0.00 C ATOM 0 H LEU A 14 -6.480 7.796 -1.162 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.790 9.662 -3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.471 8.415 -2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.971 9.103 -4.138 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.517 6.721 -3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.061 5.252 -4.244 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.889 6.132 -2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.085 6.656 -4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.129 6.259 -5.399 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.075 7.704 -5.828 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.544 7.874 -4.936 1.00 0.00 H new ATOM 169 N ARG A 15 -7.390 10.610 -0.653 1.00 0.00 N ATOM 170 CA ARG A 15 -7.982 11.751 0.034 1.00 0.00 C ATOM 171 C ARG A 15 -7.397 11.906 1.435 1.00 0.00 C ATOM 172 O ARG A 15 -6.920 10.939 2.030 1.00 0.00 O ATOM 173 CB ARG A 15 -9.501 11.589 0.120 1.00 0.00 C ATOM 174 CG ARG A 15 -9.947 10.162 0.390 1.00 0.00 C ATOM 175 CD ARG A 15 -11.424 10.098 0.749 1.00 0.00 C ATOM 176 NE ARG A 15 -12.278 10.161 -0.433 1.00 0.00 N ATOM 177 CZ ARG A 15 -12.656 11.298 -1.007 1.00 0.00 C ATOM 178 NH1 ARG A 15 -12.257 12.460 -0.509 1.00 0.00 N ATOM 179 NH2 ARG A 15 -13.435 11.274 -2.081 1.00 0.00 N ATOM 0 H ARG A 15 -7.158 9.825 -0.045 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.750 12.649 -0.539 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.883 12.236 0.910 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.948 11.930 -0.814 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.759 9.548 -0.491 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.355 9.742 1.204 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.625 9.175 1.293 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.670 10.922 1.418 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.602 9.284 -0.841 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.658 12.482 0.317 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.549 13.332 -0.951 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -13.744 10.382 -2.467 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -13.724 12.148 -2.521 1.00 0.00 H new ATOM 193 N SER A 16 -7.437 13.128 1.956 1.00 0.00 N ATOM 194 CA SER A 16 -6.906 13.410 3.285 1.00 0.00 C ATOM 195 C SER A 16 -7.800 12.808 4.365 1.00 0.00 C ATOM 196 O SER A 16 -9.024 12.927 4.311 1.00 0.00 O ATOM 197 CB SER A 16 -6.778 14.920 3.496 1.00 0.00 C ATOM 198 OG SER A 16 -8.045 15.552 3.437 1.00 0.00 O ATOM 0 H SER A 16 -7.831 13.939 1.479 1.00 0.00 H new ATOM 0 HA SER A 16 -5.918 12.955 3.360 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.314 15.117 4.462 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.122 15.342 2.735 1.00 0.00 H new ATOM 0 HG SER A 16 -7.937 16.516 3.576 1.00 0.00 H new ATOM 204 N TYR A 17 -7.178 12.162 5.345 1.00 0.00 N ATOM 205 CA TYR A 17 -7.916 11.539 6.438 1.00 0.00 C ATOM 206 C TYR A 17 -7.404 12.029 7.789 1.00 0.00 C ATOM 207 O TYR A 17 -6.306 11.672 8.216 1.00 0.00 O ATOM 208 CB TYR A 17 -7.798 10.016 6.357 1.00 0.00 C ATOM 209 CG TYR A 17 -8.945 9.284 7.016 1.00 0.00 C ATOM 210 CD1 TYR A 17 -9.454 9.706 8.238 1.00 0.00 C ATOM 211 CD2 TYR A 17 -9.521 8.171 6.417 1.00 0.00 C ATOM 212 CE1 TYR A 17 -10.501 9.040 8.845 1.00 0.00 C ATOM 213 CE2 TYR A 17 -10.570 7.499 7.015 1.00 0.00 C ATOM 214 CZ TYR A 17 -11.056 7.937 8.229 1.00 0.00 C ATOM 215 OH TYR A 17 -12.100 7.272 8.829 1.00 0.00 O ATOM 0 H TYR A 17 -6.165 12.056 5.405 1.00 0.00 H new ATOM 0 HA TYR A 17 -8.965 11.821 6.343 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.743 9.719 5.310 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -6.864 9.707 6.826 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -9.023 10.570 8.722 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -9.142 7.825 5.467 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -10.883 9.381 9.796 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -11.007 6.636 6.535 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.376 6.519 8.265 1.00 0.00 H new ATOM 225 N ILE A 18 -8.210 12.847 8.458 1.00 0.00 N ATOM 226 CA ILE A 18 -7.841 13.385 9.761 1.00 0.00 C ATOM 227 C ILE A 18 -8.702 12.785 10.867 1.00 0.00 C ATOM 228 O ILE A 18 -9.922 12.953 10.881 1.00 0.00 O ATOM 229 CB ILE A 18 -7.976 14.919 9.796 1.00 0.00 C ATOM 230 CG1 ILE A 18 -7.211 15.547 8.629 1.00 0.00 C ATOM 231 CG2 ILE A 18 -7.470 15.465 11.123 1.00 0.00 C ATOM 232 CD1 ILE A 18 -5.816 14.989 8.451 1.00 0.00 C ATOM 0 H ILE A 18 -9.123 13.151 8.119 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.798 13.116 9.929 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.030 15.179 9.697 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.776 15.392 7.710 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.146 16.624 8.785 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.572 16.550 11.133 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.054 15.038 11.938 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.421 15.198 11.250 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.333 15.480 7.606 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.235 15.168 9.355 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.874 13.917 8.263 1.00 0.00 H new ATOM 244 N THR A 19 -8.059 12.084 11.796 1.00 0.00 N ATOM 245 CA THR A 19 -8.765 11.459 12.907 1.00 0.00 C ATOM 246 C THR A 19 -8.113 11.809 14.240 1.00 0.00 C ATOM 247 O THR A 19 -6.887 11.839 14.353 1.00 0.00 O ATOM 248 CB THR A 19 -8.807 9.927 12.756 1.00 0.00 C ATOM 249 OG1 THR A 19 -8.879 9.309 14.046 1.00 0.00 O ATOM 250 CG2 THR A 19 -7.577 9.423 12.015 1.00 0.00 C ATOM 0 H THR A 19 -7.050 11.935 11.801 1.00 0.00 H new ATOM 0 HA THR A 19 -9.784 11.846 12.891 1.00 0.00 H new ATOM 0 HB THR A 19 -9.693 9.665 12.178 1.00 0.00 H new ATOM 0 HG1 THR A 19 -8.102 8.725 14.173 1.00 0.00 H new ATOM 0 HG21 THR A 19 -7.628 8.338 11.920 1.00 0.00 H new ATOM 0 HG22 THR A 19 -7.540 9.873 11.023 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.680 9.696 12.571 1.00 0.00 H new ATOM 258 N ASP A 20 -8.939 12.072 15.247 1.00 0.00 N ATOM 259 CA ASP A 20 -8.442 12.418 16.573 1.00 0.00 C ATOM 260 C ASP A 20 -8.280 11.171 17.436 1.00 0.00 C ATOM 261 O ASP A 20 -8.380 11.233 18.660 1.00 0.00 O ATOM 262 CB ASP A 20 -9.391 13.405 17.255 1.00 0.00 C ATOM 263 CG ASP A 20 -8.842 13.921 18.571 1.00 0.00 C ATOM 264 OD1 ASP A 20 -7.680 14.376 18.591 1.00 0.00 O ATOM 265 OD2 ASP A 20 -9.575 13.868 19.581 1.00 0.00 O ATOM 0 H ASP A 20 -9.956 12.052 15.170 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.465 12.886 16.456 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.577 14.246 16.587 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -10.351 12.919 17.431 1.00 0.00 H new ATOM 270 N ASN A 21 -8.030 10.038 16.787 1.00 0.00 N ATOM 271 CA ASN A 21 -7.855 8.774 17.495 1.00 0.00 C ATOM 272 C ASN A 21 -6.610 8.043 17.003 1.00 0.00 C ATOM 273 O ASN A 21 -6.250 8.129 15.829 1.00 0.00 O ATOM 274 CB ASN A 21 -9.088 7.888 17.309 1.00 0.00 C ATOM 275 CG ASN A 21 -9.249 6.879 18.430 1.00 0.00 C ATOM 276 OD1 ASN A 21 -8.410 6.792 19.327 1.00 0.00 O ATOM 277 ND2 ASN A 21 -10.331 6.110 18.383 1.00 0.00 N ATOM 0 H ASN A 21 -7.944 9.969 15.773 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.730 8.993 18.555 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.978 8.515 17.257 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.014 7.361 16.358 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.493 5.413 19.109 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.000 6.217 17.620 1.00 0.00 H new ATOM 284 N CYS A 22 -5.958 7.322 17.909 1.00 0.00 N ATOM 285 CA CYS A 22 -4.753 6.575 17.568 1.00 0.00 C ATOM 286 C CYS A 22 -5.094 5.341 16.740 1.00 0.00 C ATOM 287 O CYS A 22 -4.462 5.071 15.719 1.00 0.00 O ATOM 288 CB CYS A 22 -4.007 6.162 18.838 1.00 0.00 C ATOM 289 SG CYS A 22 -2.503 5.206 18.533 1.00 0.00 S ATOM 0 H CYS A 22 -6.244 7.239 18.885 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.110 7.223 16.972 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -3.747 7.058 19.401 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.677 5.574 19.465 1.00 0.00 H new ATOM 0 HG CYS A 22 -1.942 4.906 19.667 1.00 0.00 H new ATOM 295 N SER A 23 -6.098 4.593 17.188 1.00 0.00 N ATOM 296 CA SER A 23 -6.521 3.384 16.491 1.00 0.00 C ATOM 297 C SER A 23 -6.499 3.592 14.980 1.00 0.00 C ATOM 298 O SER A 23 -5.864 2.834 14.246 1.00 0.00 O ATOM 299 CB SER A 23 -7.924 2.974 16.941 1.00 0.00 C ATOM 300 OG SER A 23 -8.488 2.025 16.053 1.00 0.00 O ATOM 0 H SER A 23 -6.633 4.803 18.030 1.00 0.00 H new ATOM 0 HA SER A 23 -5.821 2.587 16.741 1.00 0.00 H new ATOM 0 HB2 SER A 23 -7.879 2.554 17.946 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.565 3.854 16.992 1.00 0.00 H new ATOM 0 HG SER A 23 -9.384 1.778 16.364 1.00 0.00 H new ATOM 306 N LEU A 24 -7.198 4.624 14.521 1.00 0.00 N ATOM 307 CA LEU A 24 -7.261 4.934 13.097 1.00 0.00 C ATOM 308 C LEU A 24 -5.993 5.646 12.639 1.00 0.00 C ATOM 309 O LEU A 24 -5.234 6.173 13.454 1.00 0.00 O ATOM 310 CB LEU A 24 -8.484 5.802 12.797 1.00 0.00 C ATOM 311 CG LEU A 24 -9.833 5.240 13.248 1.00 0.00 C ATOM 312 CD1 LEU A 24 -10.798 6.368 13.579 1.00 0.00 C ATOM 313 CD2 LEU A 24 -10.418 4.333 12.175 1.00 0.00 C ATOM 0 H LEU A 24 -7.730 5.261 15.115 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.347 3.995 12.549 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.341 6.773 13.271 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.526 5.976 11.722 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.675 4.648 14.150 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.752 5.949 13.898 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.383 6.978 14.382 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.951 6.987 12.695 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.378 3.942 12.513 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.561 4.902 11.256 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.735 3.505 11.987 1.00 0.00 H new ATOM 325 N LEU A 25 -5.769 5.661 11.329 1.00 0.00 N ATOM 326 CA LEU A 25 -4.594 6.312 10.761 1.00 0.00 C ATOM 327 C LEU A 25 -4.949 7.685 10.201 1.00 0.00 C ATOM 328 O LEU A 25 -5.985 7.856 9.558 1.00 0.00 O ATOM 329 CB LEU A 25 -3.987 5.441 9.660 1.00 0.00 C ATOM 330 CG LEU A 25 -2.887 6.091 8.820 1.00 0.00 C ATOM 331 CD1 LEU A 25 -1.729 6.528 9.703 1.00 0.00 C ATOM 332 CD2 LEU A 25 -2.404 5.133 7.740 1.00 0.00 C ATOM 0 H LEU A 25 -6.386 5.230 10.641 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.862 6.444 11.557 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.581 4.540 10.120 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.788 5.125 8.992 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.301 6.975 8.335 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.956 6.988 9.088 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.085 7.249 10.439 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.315 5.660 10.216 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.621 5.612 7.152 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.007 4.231 8.205 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.237 4.869 7.089 1.00 0.00 H new ATOM 344 N SER A 26 -4.082 8.662 10.448 1.00 0.00 N ATOM 345 CA SER A 26 -4.304 10.021 9.969 1.00 0.00 C ATOM 346 C SER A 26 -3.262 10.407 8.924 1.00 0.00 C ATOM 347 O SER A 26 -2.124 10.740 9.259 1.00 0.00 O ATOM 348 CB SER A 26 -4.263 11.009 11.137 1.00 0.00 C ATOM 349 OG SER A 26 -2.953 11.114 11.669 1.00 0.00 O ATOM 0 H SER A 26 -3.219 8.537 10.977 1.00 0.00 H new ATOM 0 HA SER A 26 -5.289 10.059 9.504 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.602 11.989 10.801 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.951 10.684 11.917 1.00 0.00 H new ATOM 0 HG SER A 26 -2.304 11.151 10.936 1.00 0.00 H new ATOM 355 N PHE A 27 -3.658 10.360 7.657 1.00 0.00 N ATOM 356 CA PHE A 27 -2.759 10.704 6.561 1.00 0.00 C ATOM 357 C PHE A 27 -3.339 11.833 5.715 1.00 0.00 C ATOM 358 O PHE A 27 -4.489 12.233 5.897 1.00 0.00 O ATOM 359 CB PHE A 27 -2.497 9.477 5.685 1.00 0.00 C ATOM 360 CG PHE A 27 -3.748 8.753 5.278 1.00 0.00 C ATOM 361 CD1 PHE A 27 -4.691 9.371 4.472 1.00 0.00 C ATOM 362 CD2 PHE A 27 -3.982 7.454 5.701 1.00 0.00 C ATOM 363 CE1 PHE A 27 -5.844 8.707 4.097 1.00 0.00 C ATOM 364 CE2 PHE A 27 -5.132 6.785 5.329 1.00 0.00 C ATOM 365 CZ PHE A 27 -6.064 7.412 4.525 1.00 0.00 C ATOM 0 H PHE A 27 -4.596 10.087 7.363 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.816 11.044 6.990 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.959 9.788 4.789 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.847 8.788 6.224 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.523 10.383 4.133 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.256 6.959 6.329 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.572 9.200 3.470 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.302 5.773 5.666 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.963 6.891 4.231 1.00 0.00 H new ATOM 375 N HIS A 28 -2.533 12.345 4.790 1.00 0.00 N ATOM 376 CA HIS A 28 -2.966 13.428 3.914 1.00 0.00 C ATOM 377 C HIS A 28 -3.046 12.958 2.465 1.00 0.00 C ATOM 378 O HIS A 28 -2.574 11.872 2.129 1.00 0.00 O ATOM 379 CB HIS A 28 -2.008 14.615 4.025 1.00 0.00 C ATOM 380 CG HIS A 28 -2.389 15.595 5.092 1.00 0.00 C ATOM 381 ND1 HIS A 28 -1.469 16.198 5.923 1.00 0.00 N ATOM 382 CD2 HIS A 28 -3.599 16.077 5.460 1.00 0.00 C ATOM 383 CE1 HIS A 28 -2.097 17.008 6.757 1.00 0.00 C ATOM 384 NE2 HIS A 28 -3.390 16.953 6.497 1.00 0.00 N ATOM 0 H HIS A 28 -1.577 12.028 4.628 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.961 13.742 4.230 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -1.004 14.243 4.227 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.970 15.131 3.066 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -4.551 15.821 5.020 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.631 17.612 7.521 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -4.116 17.476 6.987 1.00 0.00 H new ATOM 393 N ARG A 29 -3.646 13.782 1.613 1.00 0.00 N ATOM 394 CA ARG A 29 -3.789 13.449 0.201 1.00 0.00 C ATOM 395 C ARG A 29 -2.441 13.082 -0.411 1.00 0.00 C ATOM 396 O ARG A 29 -1.524 13.901 -0.456 1.00 0.00 O ATOM 397 CB ARG A 29 -4.405 14.623 -0.562 1.00 0.00 C ATOM 398 CG ARG A 29 -4.389 14.444 -2.071 1.00 0.00 C ATOM 399 CD ARG A 29 -5.658 13.767 -2.566 1.00 0.00 C ATOM 400 NE ARG A 29 -5.804 13.869 -4.015 1.00 0.00 N ATOM 401 CZ ARG A 29 -6.973 13.803 -4.642 1.00 0.00 C ATOM 402 NH1 ARG A 29 -8.092 13.637 -3.950 1.00 0.00 N ATOM 403 NH2 ARG A 29 -7.025 13.905 -5.964 1.00 0.00 N ATOM 0 H ARG A 29 -4.041 14.685 1.876 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.451 12.586 0.123 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.435 14.760 -0.232 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.865 15.535 -0.307 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.282 15.416 -2.553 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.522 13.849 -2.359 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.645 12.716 -2.276 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.523 14.220 -2.082 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.962 13.998 -4.577 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.056 13.560 -2.934 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.988 13.587 -4.434 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.167 14.034 -6.500 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.923 13.854 -6.444 1.00 0.00 H new ATOM 417 N GLY A 30 -2.327 11.843 -0.881 1.00 0.00 N ATOM 418 CA GLY A 30 -1.087 11.389 -1.483 1.00 0.00 C ATOM 419 C GLY A 30 -0.030 11.052 -0.450 1.00 0.00 C ATOM 420 O GLY A 30 1.103 11.528 -0.532 1.00 0.00 O ATOM 0 H GLY A 30 -3.071 11.146 -0.855 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.285 10.510 -2.096 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.706 12.163 -2.149 1.00 0.00 H new ATOM 424 N ASP A 31 -0.400 10.232 0.527 1.00 0.00 N ATOM 425 CA ASP A 31 0.524 9.832 1.582 1.00 0.00 C ATOM 426 C ASP A 31 0.761 8.325 1.554 1.00 0.00 C ATOM 427 O ASP A 31 0.142 7.575 2.309 1.00 0.00 O ATOM 428 CB ASP A 31 -0.017 10.251 2.950 1.00 0.00 C ATOM 429 CG ASP A 31 1.088 10.539 3.946 1.00 0.00 C ATOM 430 OD1 ASP A 31 2.162 11.014 3.521 1.00 0.00 O ATOM 431 OD2 ASP A 31 0.879 10.291 5.152 1.00 0.00 O ATOM 0 H ASP A 31 -1.334 9.831 0.611 1.00 0.00 H new ATOM 0 HA ASP A 31 1.475 10.335 1.408 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.639 11.139 2.835 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.658 9.461 3.341 1.00 0.00 H new ATOM 436 N LEU A 32 1.661 7.889 0.679 1.00 0.00 N ATOM 437 CA LEU A 32 1.979 6.471 0.552 1.00 0.00 C ATOM 438 C LEU A 32 2.053 5.805 1.922 1.00 0.00 C ATOM 439 O LEU A 32 2.976 6.057 2.697 1.00 0.00 O ATOM 440 CB LEU A 32 3.306 6.291 -0.187 1.00 0.00 C ATOM 441 CG LEU A 32 3.935 4.899 -0.109 1.00 0.00 C ATOM 442 CD1 LEU A 32 4.759 4.615 -1.355 1.00 0.00 C ATOM 443 CD2 LEU A 32 4.793 4.772 1.141 1.00 0.00 C ATOM 0 H LEU A 32 2.183 8.497 0.048 1.00 0.00 H new ATOM 0 HA LEU A 32 1.183 5.995 -0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.151 6.539 -1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.020 7.013 0.209 1.00 0.00 H new ATOM 0 HG LEU A 32 3.134 4.161 -0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.199 3.620 -1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.117 4.664 -2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.553 5.357 -1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.233 3.775 1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.587 5.518 1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.175 4.931 2.024 1.00 0.00 H new ATOM 455 N ILE A 33 1.076 4.952 2.212 1.00 0.00 N ATOM 456 CA ILE A 33 1.032 4.247 3.487 1.00 0.00 C ATOM 457 C ILE A 33 1.898 2.992 3.451 1.00 0.00 C ATOM 458 O ILE A 33 2.058 2.364 2.404 1.00 0.00 O ATOM 459 CB ILE A 33 -0.408 3.852 3.863 1.00 0.00 C ATOM 460 CG1 ILE A 33 -1.287 5.099 3.979 1.00 0.00 C ATOM 461 CG2 ILE A 33 -0.419 3.067 5.166 1.00 0.00 C ATOM 462 CD1 ILE A 33 -1.955 5.490 2.679 1.00 0.00 C ATOM 0 H ILE A 33 0.305 4.733 1.582 1.00 0.00 H new ATOM 0 HA ILE A 33 1.420 4.933 4.240 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.813 3.216 3.075 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.054 4.924 4.734 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.678 5.932 4.330 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.444 2.795 5.418 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.179 2.163 5.051 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.001 3.680 5.964 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.562 6.382 2.836 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.194 5.697 1.927 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.591 4.674 2.337 1.00 0.00 H new ATOM 474 N LYS A 34 2.454 2.630 4.602 1.00 0.00 N ATOM 475 CA LYS A 34 3.301 1.447 4.705 1.00 0.00 C ATOM 476 C LYS A 34 2.549 0.295 5.364 1.00 0.00 C ATOM 477 O LYS A 34 2.191 0.366 6.540 1.00 0.00 O ATOM 478 CB LYS A 34 4.565 1.769 5.505 1.00 0.00 C ATOM 479 CG LYS A 34 5.472 0.569 5.717 1.00 0.00 C ATOM 480 CD LYS A 34 6.931 0.984 5.819 1.00 0.00 C ATOM 481 CE LYS A 34 7.210 1.723 7.119 1.00 0.00 C ATOM 482 NZ LYS A 34 8.618 1.540 7.570 1.00 0.00 N ATOM 0 H LYS A 34 2.333 3.139 5.478 1.00 0.00 H new ATOM 0 HA LYS A 34 3.583 1.143 3.697 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.123 2.549 4.988 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.278 2.173 6.476 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.177 0.045 6.626 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.349 -0.132 4.891 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.567 0.101 5.757 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.189 1.622 4.974 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.007 2.785 6.984 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.531 1.365 7.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.768 2.059 8.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.805 0.529 7.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.266 1.905 6.843 1.00 0.00 H new ATOM 496 N LEU A 35 2.315 -0.766 4.599 1.00 0.00 N ATOM 497 CA LEU A 35 1.607 -1.935 5.109 1.00 0.00 C ATOM 498 C LEU A 35 2.460 -2.689 6.124 1.00 0.00 C ATOM 499 O LEU A 35 3.491 -3.267 5.777 1.00 0.00 O ATOM 500 CB LEU A 35 1.223 -2.865 3.957 1.00 0.00 C ATOM 501 CG LEU A 35 0.249 -2.292 2.927 1.00 0.00 C ATOM 502 CD1 LEU A 35 -0.114 -3.345 1.892 1.00 0.00 C ATOM 503 CD2 LEU A 35 -1.002 -1.762 3.613 1.00 0.00 C ATOM 0 H LEU A 35 2.605 -0.841 3.624 1.00 0.00 H new ATOM 0 HA LEU A 35 0.701 -1.591 5.608 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.134 -3.164 3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.784 -3.770 4.378 1.00 0.00 H new ATOM 0 HG LEU A 35 0.738 -1.463 2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.808 -2.919 1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.788 -3.677 1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.583 -4.195 2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.684 -1.358 2.865 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.493 -2.573 4.151 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.726 -0.975 4.315 1.00 0.00 H new ATOM 515 N LEU A 36 2.024 -2.681 7.378 1.00 0.00 N ATOM 516 CA LEU A 36 2.747 -3.366 8.444 1.00 0.00 C ATOM 517 C LEU A 36 2.258 -4.802 8.598 1.00 0.00 C ATOM 518 O LEU A 36 1.099 -5.121 8.332 1.00 0.00 O ATOM 519 CB LEU A 36 2.579 -2.614 9.766 1.00 0.00 C ATOM 520 CG LEU A 36 3.212 -1.224 9.832 1.00 0.00 C ATOM 521 CD1 LEU A 36 2.818 -0.519 11.121 1.00 0.00 C ATOM 522 CD2 LEU A 36 4.726 -1.321 9.717 1.00 0.00 C ATOM 0 H LEU A 36 1.173 -2.208 7.682 1.00 0.00 H new ATOM 0 HA LEU A 36 3.804 -3.388 8.177 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.513 -2.516 9.972 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.004 -3.223 10.564 1.00 0.00 H new ATOM 0 HG LEU A 36 2.841 -0.637 8.992 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.278 0.469 11.151 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.734 -0.416 11.163 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.160 -1.104 11.975 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.159 -0.322 9.766 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.115 -1.926 10.536 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.990 -1.785 8.766 1.00 0.00 H new ATOM 534 N PRO A 37 3.160 -5.691 9.039 1.00 0.00 N ATOM 535 CA PRO A 37 2.843 -7.108 9.240 1.00 0.00 C ATOM 536 C PRO A 37 1.904 -7.329 10.421 1.00 0.00 C ATOM 537 O PRO A 37 2.345 -7.458 11.563 1.00 0.00 O ATOM 538 CB PRO A 37 4.209 -7.741 9.518 1.00 0.00 C ATOM 539 CG PRO A 37 5.038 -6.630 10.063 1.00 0.00 C ATOM 540 CD PRO A 37 4.560 -5.381 9.375 1.00 0.00 C ATOM 0 HA PRO A 37 2.326 -7.536 8.381 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.127 -8.561 10.232 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.647 -8.152 8.609 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.921 -6.549 11.144 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.097 -6.802 9.869 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.634 -4.510 10.026 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.148 -5.163 8.484 1.00 0.00 H new ATOM 548 N VAL A 38 0.605 -7.373 10.138 1.00 0.00 N ATOM 549 CA VAL A 38 -0.397 -7.580 11.177 1.00 0.00 C ATOM 550 C VAL A 38 -0.866 -9.031 11.206 1.00 0.00 C ATOM 551 O VAL A 38 -1.010 -9.668 10.163 1.00 0.00 O ATOM 552 CB VAL A 38 -1.616 -6.662 10.972 1.00 0.00 C ATOM 553 CG1 VAL A 38 -2.203 -6.856 9.583 1.00 0.00 C ATOM 554 CG2 VAL A 38 -2.664 -6.921 12.044 1.00 0.00 C ATOM 0 H VAL A 38 0.223 -7.268 9.198 1.00 0.00 H new ATOM 0 HA VAL A 38 0.077 -7.335 12.128 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.288 -5.626 11.060 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.063 -6.199 9.457 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.450 -6.616 8.833 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.517 -7.893 9.462 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.519 -6.264 11.884 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.990 -7.960 11.991 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.235 -6.726 13.027 1.00 0.00 H new ATOM 564 N ALA A 39 -1.104 -9.546 12.407 1.00 0.00 N ATOM 565 CA ALA A 39 -1.560 -10.920 12.572 1.00 0.00 C ATOM 566 C ALA A 39 -2.876 -11.154 11.838 1.00 0.00 C ATOM 567 O ALA A 39 -2.991 -12.072 11.025 1.00 0.00 O ATOM 568 CB ALA A 39 -1.712 -11.252 14.050 1.00 0.00 C ATOM 0 H ALA A 39 -0.989 -9.032 13.280 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.809 -11.580 12.137 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.053 -12.282 14.158 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.751 -11.134 14.550 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.441 -10.579 14.501 1.00 0.00 H new ATOM 574 N THR A 40 -3.868 -10.319 12.130 1.00 0.00 N ATOM 575 CA THR A 40 -5.176 -10.436 11.498 1.00 0.00 C ATOM 576 C THR A 40 -5.871 -9.081 11.417 1.00 0.00 C ATOM 577 O THR A 40 -5.742 -8.251 12.318 1.00 0.00 O ATOM 578 CB THR A 40 -6.082 -11.420 12.262 1.00 0.00 C ATOM 579 OG1 THR A 40 -7.229 -11.746 11.469 1.00 0.00 O ATOM 580 CG2 THR A 40 -6.530 -10.825 13.589 1.00 0.00 C ATOM 0 H THR A 40 -3.790 -9.554 12.800 1.00 0.00 H new ATOM 0 HA THR A 40 -5.008 -10.815 10.490 1.00 0.00 H new ATOM 0 HB THR A 40 -5.509 -12.326 12.463 1.00 0.00 H new ATOM 0 HG1 THR A 40 -7.799 -12.373 11.961 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.169 -11.538 14.110 1.00 0.00 H new ATOM 0 HG22 THR A 40 -5.656 -10.604 14.202 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.086 -9.906 13.406 1.00 0.00 H new ATOM 588 N LEU A 41 -6.608 -8.864 10.334 1.00 0.00 N ATOM 589 CA LEU A 41 -7.325 -7.609 10.136 1.00 0.00 C ATOM 590 C LEU A 41 -8.789 -7.866 9.795 1.00 0.00 C ATOM 591 O LEU A 41 -9.194 -9.007 9.577 1.00 0.00 O ATOM 592 CB LEU A 41 -6.666 -6.792 9.023 1.00 0.00 C ATOM 593 CG LEU A 41 -5.557 -5.834 9.459 1.00 0.00 C ATOM 594 CD1 LEU A 41 -4.661 -5.483 8.282 1.00 0.00 C ATOM 595 CD2 LEU A 41 -6.152 -4.575 10.074 1.00 0.00 C ATOM 0 H LEU A 41 -6.725 -9.540 9.579 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.282 -7.044 11.067 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.253 -7.483 8.288 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.440 -6.214 8.517 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.949 -6.332 10.215 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.878 -4.800 8.612 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.207 -6.392 7.886 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.255 -5.005 7.503 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.349 -3.904 10.379 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.783 -4.075 9.340 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.751 -4.843 10.945 1.00 0.00 H new ATOM 607 N GLU A 42 -9.577 -6.796 9.748 1.00 0.00 N ATOM 608 CA GLU A 42 -10.996 -6.907 9.431 1.00 0.00 C ATOM 609 C GLU A 42 -11.227 -6.809 7.926 1.00 0.00 C ATOM 610 O GLU A 42 -10.407 -6.275 7.180 1.00 0.00 O ATOM 611 CB GLU A 42 -11.789 -5.815 10.152 1.00 0.00 C ATOM 612 CG GLU A 42 -12.259 -6.219 11.540 1.00 0.00 C ATOM 613 CD GLU A 42 -11.174 -6.068 12.589 1.00 0.00 C ATOM 614 OE1 GLU A 42 -10.601 -4.964 12.696 1.00 0.00 O ATOM 615 OE2 GLU A 42 -10.900 -7.054 13.304 1.00 0.00 O ATOM 0 H GLU A 42 -9.257 -5.844 9.925 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.343 -7.883 9.771 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.170 -4.922 10.233 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.656 -5.548 9.547 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.118 -5.610 11.821 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.597 -7.255 11.518 1.00 0.00 H new ATOM 622 N PRO A 43 -12.372 -7.338 7.468 1.00 0.00 N ATOM 623 CA PRO A 43 -12.738 -7.323 6.049 1.00 0.00 C ATOM 624 C PRO A 43 -13.073 -5.921 5.551 1.00 0.00 C ATOM 625 O PRO A 43 -14.226 -5.494 5.597 1.00 0.00 O ATOM 626 CB PRO A 43 -13.978 -8.220 5.993 1.00 0.00 C ATOM 627 CG PRO A 43 -14.561 -8.146 7.362 1.00 0.00 C ATOM 628 CD PRO A 43 -13.396 -7.991 8.300 1.00 0.00 C ATOM 0 HA PRO A 43 -11.920 -7.662 5.414 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -14.686 -7.870 5.242 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -13.714 -9.244 5.730 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -15.247 -7.303 7.449 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -15.131 -9.046 7.593 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -13.656 -7.384 9.167 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -13.053 -8.954 8.677 1.00 0.00 H new ATOM 636 N GLY A 44 -12.056 -5.209 5.076 1.00 0.00 N ATOM 637 CA GLY A 44 -12.263 -3.862 4.576 1.00 0.00 C ATOM 638 C GLY A 44 -11.323 -2.857 5.211 1.00 0.00 C ATOM 639 O GLY A 44 -11.083 -1.785 4.655 1.00 0.00 O ATOM 0 H GLY A 44 -11.093 -5.541 5.028 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.123 -3.853 3.495 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.293 -3.562 4.766 1.00 0.00 H new ATOM 643 N TRP A 45 -10.791 -3.202 6.377 1.00 0.00 N ATOM 644 CA TRP A 45 -9.873 -2.320 7.089 1.00 0.00 C ATOM 645 C TRP A 45 -8.425 -2.647 6.741 1.00 0.00 C ATOM 646 O TRP A 45 -8.108 -3.773 6.359 1.00 0.00 O ATOM 647 CB TRP A 45 -10.086 -2.439 8.599 1.00 0.00 C ATOM 648 CG TRP A 45 -11.386 -1.855 9.063 1.00 0.00 C ATOM 649 CD1 TRP A 45 -12.588 -2.498 9.155 1.00 0.00 C ATOM 650 CD2 TRP A 45 -11.615 -0.510 9.496 1.00 0.00 C ATOM 651 NE1 TRP A 45 -13.549 -1.634 9.619 1.00 0.00 N ATOM 652 CE2 TRP A 45 -12.978 -0.408 9.837 1.00 0.00 C ATOM 653 CE3 TRP A 45 -10.802 0.618 9.631 1.00 0.00 C ATOM 654 CZ2 TRP A 45 -13.543 0.777 10.302 1.00 0.00 C ATOM 655 CZ3 TRP A 45 -11.363 1.794 10.092 1.00 0.00 C ATOM 656 CH2 TRP A 45 -12.723 1.866 10.424 1.00 0.00 C ATOM 0 H TRP A 45 -10.979 -4.086 6.850 1.00 0.00 H new ATOM 0 HA TRP A 45 -10.080 -1.295 6.780 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -10.047 -3.491 8.883 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -9.266 -1.939 9.115 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -12.757 -3.534 8.900 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -14.529 -1.867 9.776 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -9.753 0.572 9.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -14.591 0.835 10.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -10.743 2.672 10.198 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -13.132 2.799 10.783 1.00 0.00 H new ATOM 667 N GLN A 46 -7.550 -1.655 6.875 1.00 0.00 N ATOM 668 CA GLN A 46 -6.135 -1.839 6.574 1.00 0.00 C ATOM 669 C GLN A 46 -5.262 -1.180 7.637 1.00 0.00 C ATOM 670 O GLN A 46 -5.479 -0.025 8.004 1.00 0.00 O ATOM 671 CB GLN A 46 -5.807 -1.260 5.196 1.00 0.00 C ATOM 672 CG GLN A 46 -6.389 -2.063 4.045 1.00 0.00 C ATOM 673 CD GLN A 46 -5.863 -1.615 2.695 1.00 0.00 C ATOM 674 OE1 GLN A 46 -6.168 -0.516 2.231 1.00 0.00 O ATOM 675 NE2 GLN A 46 -5.067 -2.465 2.058 1.00 0.00 N ATOM 0 H GLN A 46 -7.796 -0.716 7.190 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.925 -2.909 6.571 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -6.183 -0.238 5.142 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.724 -1.208 5.081 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.157 -3.118 4.189 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -7.475 -1.972 4.056 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -4.841 -3.366 2.480 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -4.682 -2.218 1.147 1.00 0.00 H new ATOM 684 N PHE A 47 -4.275 -1.921 8.127 1.00 0.00 N ATOM 685 CA PHE A 47 -3.369 -1.410 9.149 1.00 0.00 C ATOM 686 C PHE A 47 -2.018 -1.043 8.544 1.00 0.00 C ATOM 687 O PHE A 47 -1.449 -1.802 7.761 1.00 0.00 O ATOM 688 CB PHE A 47 -3.179 -2.447 10.258 1.00 0.00 C ATOM 689 CG PHE A 47 -2.196 -2.024 11.312 1.00 0.00 C ATOM 690 CD1 PHE A 47 -2.449 -0.922 12.113 1.00 0.00 C ATOM 691 CD2 PHE A 47 -1.019 -2.730 11.502 1.00 0.00 C ATOM 692 CE1 PHE A 47 -1.545 -0.531 13.082 1.00 0.00 C ATOM 693 CE2 PHE A 47 -0.111 -2.344 12.470 1.00 0.00 C ATOM 694 CZ PHE A 47 -0.375 -1.244 13.262 1.00 0.00 C ATOM 0 H PHE A 47 -4.082 -2.878 7.833 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.813 -0.510 9.575 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.142 -2.644 10.729 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.843 -3.384 9.814 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.363 -0.363 11.978 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.809 -3.592 10.886 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.753 0.331 13.698 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.804 -2.902 12.607 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.332 -0.941 14.021 1.00 0.00 H new ATOM 704 N GLY A 48 -1.509 0.129 8.913 1.00 0.00 N ATOM 705 CA GLY A 48 -0.229 0.578 8.397 1.00 0.00 C ATOM 706 C GLY A 48 0.158 1.948 8.917 1.00 0.00 C ATOM 707 O GLY A 48 -0.617 2.593 9.624 1.00 0.00 O ATOM 0 H GLY A 48 -1.961 0.775 9.560 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.542 -0.142 8.671 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.269 0.604 7.308 1.00 0.00 H new ATOM 711 N SER A 49 1.360 2.394 8.569 1.00 0.00 N ATOM 712 CA SER A 49 1.851 3.694 9.010 1.00 0.00 C ATOM 713 C SER A 49 2.242 4.561 7.817 1.00 0.00 C ATOM 714 O SER A 49 2.866 4.086 6.869 1.00 0.00 O ATOM 715 CB SER A 49 3.051 3.520 9.944 1.00 0.00 C ATOM 716 OG SER A 49 3.663 4.767 10.225 1.00 0.00 O ATOM 0 H SER A 49 2.013 1.874 7.982 1.00 0.00 H new ATOM 0 HA SER A 49 1.048 4.193 9.552 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.727 3.052 10.874 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.778 2.849 9.486 1.00 0.00 H new ATOM 0 HG SER A 49 2.993 5.388 10.579 1.00 0.00 H new ATOM 722 N ALA A 50 1.871 5.836 7.873 1.00 0.00 N ATOM 723 CA ALA A 50 2.184 6.770 6.799 1.00 0.00 C ATOM 724 C ALA A 50 3.324 7.701 7.196 1.00 0.00 C ATOM 725 O ALA A 50 3.177 8.922 7.179 1.00 0.00 O ATOM 726 CB ALA A 50 0.949 7.576 6.424 1.00 0.00 C ATOM 0 H ALA A 50 1.353 6.245 8.651 1.00 0.00 H new ATOM 0 HA ALA A 50 2.506 6.193 5.932 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.197 8.270 5.621 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.161 6.901 6.090 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.602 8.136 7.293 1.00 0.00 H new ATOM 732 N GLY A 51 4.463 7.115 7.554 1.00 0.00 N ATOM 733 CA GLY A 51 5.612 7.907 7.952 1.00 0.00 C ATOM 734 C GLY A 51 5.246 9.013 8.921 1.00 0.00 C ATOM 735 O GLY A 51 5.208 10.186 8.551 1.00 0.00 O ATOM 0 H GLY A 51 4.610 6.106 7.575 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.356 7.257 8.412 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.074 8.343 7.066 1.00 0.00 H new ATOM 739 N GLY A 52 4.974 8.640 10.168 1.00 0.00 N ATOM 740 CA GLY A 52 4.611 9.621 11.174 1.00 0.00 C ATOM 741 C GLY A 52 3.746 9.034 12.271 1.00 0.00 C ATOM 742 O GLY A 52 4.133 9.026 13.440 1.00 0.00 O ATOM 0 H GLY A 52 4.999 7.676 10.499 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.517 10.038 11.614 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.079 10.445 10.698 1.00 0.00 H new ATOM 746 N ARG A 53 2.570 8.541 11.895 1.00 0.00 N ATOM 747 CA ARG A 53 1.646 7.952 12.857 1.00 0.00 C ATOM 748 C ARG A 53 1.143 6.597 12.367 1.00 0.00 C ATOM 749 O ARG A 53 1.291 6.255 11.194 1.00 0.00 O ATOM 750 CB ARG A 53 0.462 8.890 13.099 1.00 0.00 C ATOM 751 CG ARG A 53 0.854 10.218 13.725 1.00 0.00 C ATOM 752 CD ARG A 53 -0.305 11.201 13.718 1.00 0.00 C ATOM 753 NE ARG A 53 -0.051 12.353 14.579 1.00 0.00 N ATOM 754 CZ ARG A 53 -0.035 12.291 15.906 1.00 0.00 C ATOM 755 NH1 ARG A 53 -0.259 11.137 16.521 1.00 0.00 N ATOM 756 NH2 ARG A 53 0.204 13.383 16.620 1.00 0.00 N ATOM 0 H ARG A 53 2.235 8.538 10.932 1.00 0.00 H new ATOM 0 HA ARG A 53 2.182 7.805 13.795 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.040 9.080 12.150 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.259 8.391 13.747 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.187 10.054 14.750 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.697 10.644 13.180 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.484 11.543 12.699 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.212 10.695 14.048 1.00 0.00 H new ATOM 0 HE ARG A 53 0.124 13.255 14.137 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.444 10.296 15.975 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.246 11.091 17.540 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.376 14.272 16.150 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.216 13.334 17.639 1.00 0.00 H new ATOM 770 N SER A 54 0.550 5.828 13.275 1.00 0.00 N ATOM 771 CA SER A 54 0.030 4.509 12.937 1.00 0.00 C ATOM 772 C SER A 54 -1.480 4.449 13.151 1.00 0.00 C ATOM 773 O SER A 54 -2.045 5.251 13.892 1.00 0.00 O ATOM 774 CB SER A 54 0.719 3.434 13.781 1.00 0.00 C ATOM 775 OG SER A 54 0.614 3.727 15.164 1.00 0.00 O ATOM 0 H SER A 54 0.418 6.096 14.250 1.00 0.00 H new ATOM 0 HA SER A 54 0.238 4.323 11.883 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.269 2.463 13.577 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.770 3.364 13.500 1.00 0.00 H new ATOM 0 HG SER A 54 1.060 3.025 15.682 1.00 0.00 H new ATOM 781 N GLY A 55 -2.126 3.489 12.496 1.00 0.00 N ATOM 782 CA GLY A 55 -3.564 3.341 12.626 1.00 0.00 C ATOM 783 C GLY A 55 -4.179 2.598 11.457 1.00 0.00 C ATOM 784 O GLY A 55 -3.523 2.377 10.438 1.00 0.00 O ATOM 0 H GLY A 55 -1.679 2.811 11.878 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.789 2.808 13.550 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.022 4.327 12.707 1.00 0.00 H new ATOM 788 N LEU A 56 -5.441 2.209 11.603 1.00 0.00 N ATOM 789 CA LEU A 56 -6.144 1.483 10.551 1.00 0.00 C ATOM 790 C LEU A 56 -6.875 2.446 9.621 1.00 0.00 C ATOM 791 O LEU A 56 -7.156 3.588 9.988 1.00 0.00 O ATOM 792 CB LEU A 56 -7.138 0.495 11.163 1.00 0.00 C ATOM 793 CG LEU A 56 -6.531 -0.717 11.870 1.00 0.00 C ATOM 794 CD1 LEU A 56 -6.082 -0.346 13.275 1.00 0.00 C ATOM 795 CD2 LEU A 56 -7.528 -1.866 11.912 1.00 0.00 C ATOM 0 H LEU A 56 -5.998 2.384 12.439 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.406 0.932 9.968 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.761 1.033 11.878 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.797 0.137 10.372 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.657 -1.042 11.306 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.653 -1.221 13.763 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.332 0.444 13.221 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.939 0.006 13.850 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.078 -2.720 12.419 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.422 -1.553 12.452 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.799 -2.150 10.895 1.00 0.00 H new ATOM 807 N PHE A 57 -7.181 1.978 8.415 1.00 0.00 N ATOM 808 CA PHE A 57 -7.881 2.798 7.432 1.00 0.00 C ATOM 809 C PHE A 57 -8.678 1.926 6.466 1.00 0.00 C ATOM 810 O PHE A 57 -8.347 0.766 6.220 1.00 0.00 O ATOM 811 CB PHE A 57 -6.885 3.661 6.655 1.00 0.00 C ATOM 812 CG PHE A 57 -5.864 2.862 5.895 1.00 0.00 C ATOM 813 CD1 PHE A 57 -4.807 2.258 6.556 1.00 0.00 C ATOM 814 CD2 PHE A 57 -5.963 2.715 4.521 1.00 0.00 C ATOM 815 CE1 PHE A 57 -3.866 1.523 5.859 1.00 0.00 C ATOM 816 CE2 PHE A 57 -5.026 1.981 3.819 1.00 0.00 C ATOM 817 CZ PHE A 57 -3.976 1.384 4.489 1.00 0.00 C ATOM 0 H PHE A 57 -6.956 1.036 8.095 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.575 3.448 7.965 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.432 4.294 5.957 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.371 4.324 7.351 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.717 2.362 7.627 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -6.782 3.180 3.992 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.046 1.058 6.385 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.115 1.874 2.748 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.242 0.810 3.943 1.00 0.00 H new ATOM 827 N PRO A 58 -9.754 2.497 5.905 1.00 0.00 N ATOM 828 CA PRO A 58 -10.621 1.791 4.957 1.00 0.00 C ATOM 829 C PRO A 58 -9.934 1.541 3.619 1.00 0.00 C ATOM 830 O PRO A 58 -9.417 2.466 2.994 1.00 0.00 O ATOM 831 CB PRO A 58 -11.805 2.745 4.781 1.00 0.00 C ATOM 832 CG PRO A 58 -11.255 4.093 5.096 1.00 0.00 C ATOM 833 CD PRO A 58 -10.207 3.876 6.152 1.00 0.00 C ATOM 0 HA PRO A 58 -10.903 0.803 5.320 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -12.198 2.705 3.765 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.625 2.486 5.450 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.824 4.556 4.208 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.039 4.760 5.455 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.389 4.590 6.059 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.618 3.990 7.155 1.00 0.00 H new ATOM 841 N ALA A 59 -9.934 0.285 3.185 1.00 0.00 N ATOM 842 CA ALA A 59 -9.313 -0.086 1.919 1.00 0.00 C ATOM 843 C ALA A 59 -10.200 0.296 0.739 1.00 0.00 C ATOM 844 O ALA A 59 -10.425 -0.507 -0.166 1.00 0.00 O ATOM 845 CB ALA A 59 -9.013 -1.577 1.895 1.00 0.00 C ATOM 0 H ALA A 59 -10.357 -0.493 3.691 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.376 0.464 1.828 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.550 -1.840 0.944 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.333 -1.825 2.710 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -9.941 -2.137 2.013 1.00 0.00 H new ATOM 851 N ASP A 60 -10.702 1.526 0.757 1.00 0.00 N ATOM 852 CA ASP A 60 -11.566 2.015 -0.312 1.00 0.00 C ATOM 853 C ASP A 60 -11.085 3.369 -0.823 1.00 0.00 C ATOM 854 O ASP A 60 -11.077 3.622 -2.028 1.00 0.00 O ATOM 855 CB ASP A 60 -13.010 2.125 0.180 1.00 0.00 C ATOM 856 CG ASP A 60 -13.686 0.773 0.297 1.00 0.00 C ATOM 857 OD1 ASP A 60 -13.504 -0.062 -0.613 1.00 0.00 O ATOM 858 OD2 ASP A 60 -14.398 0.550 1.299 1.00 0.00 O ATOM 0 H ASP A 60 -10.526 2.203 1.500 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.524 1.301 -1.134 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.023 2.620 1.151 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.578 2.754 -0.506 1.00 0.00 H new ATOM 863 N ILE A 61 -10.686 4.237 0.101 1.00 0.00 N ATOM 864 CA ILE A 61 -10.204 5.565 -0.256 1.00 0.00 C ATOM 865 C ILE A 61 -8.715 5.540 -0.583 1.00 0.00 C ATOM 866 O ILE A 61 -8.064 6.583 -0.649 1.00 0.00 O ATOM 867 CB ILE A 61 -10.451 6.577 0.878 1.00 0.00 C ATOM 868 CG1 ILE A 61 -9.413 6.398 1.987 1.00 0.00 C ATOM 869 CG2 ILE A 61 -11.859 6.418 1.432 1.00 0.00 C ATOM 870 CD1 ILE A 61 -9.607 7.340 3.155 1.00 0.00 C ATOM 0 H ILE A 61 -10.687 4.044 1.103 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.763 5.876 -1.139 1.00 0.00 H new ATOM 0 HB ILE A 61 -10.352 7.584 0.474 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -9.453 5.371 2.349 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.418 6.550 1.570 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -12.019 7.140 2.233 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -12.584 6.591 0.637 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -11.984 5.408 1.824 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.835 7.156 3.903 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.537 8.371 2.807 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -10.589 7.173 3.598 1.00 0.00 H new ATOM 882 N VAL A 62 -8.180 4.340 -0.790 1.00 0.00 N ATOM 883 CA VAL A 62 -6.768 4.178 -1.114 1.00 0.00 C ATOM 884 C VAL A 62 -6.585 3.328 -2.366 1.00 0.00 C ATOM 885 O VAL A 62 -7.451 2.526 -2.714 1.00 0.00 O ATOM 886 CB VAL A 62 -5.995 3.530 0.050 1.00 0.00 C ATOM 887 CG1 VAL A 62 -6.015 4.435 1.273 1.00 0.00 C ATOM 888 CG2 VAL A 62 -6.576 2.164 0.379 1.00 0.00 C ATOM 0 H VAL A 62 -8.704 3.466 -0.739 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.369 5.176 -1.294 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.958 3.395 -0.256 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.464 3.961 2.085 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.549 5.389 1.027 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.046 4.604 1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.018 1.720 1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.622 2.273 0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.505 1.518 -0.496 1.00 0.00 H new ATOM 898 N GLN A 63 -5.453 3.509 -3.038 1.00 0.00 N ATOM 899 CA GLN A 63 -5.157 2.757 -4.252 1.00 0.00 C ATOM 900 C GLN A 63 -3.700 2.305 -4.271 1.00 0.00 C ATOM 901 O GLN A 63 -2.824 2.929 -3.673 1.00 0.00 O ATOM 902 CB GLN A 63 -5.456 3.607 -5.488 1.00 0.00 C ATOM 903 CG GLN A 63 -4.385 4.643 -5.788 1.00 0.00 C ATOM 904 CD GLN A 63 -4.529 5.247 -7.171 1.00 0.00 C ATOM 905 OE1 GLN A 63 -5.241 4.715 -8.023 1.00 0.00 O ATOM 906 NE2 GLN A 63 -3.852 6.366 -7.402 1.00 0.00 N ATOM 0 H GLN A 63 -4.726 4.169 -2.763 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.793 1.872 -4.266 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.567 2.951 -6.351 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.411 4.114 -5.348 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.433 5.436 -5.042 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.402 4.181 -5.698 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.274 6.773 -6.667 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.911 6.818 -8.314 1.00 0.00 H new ATOM 915 N PRO A 64 -3.434 1.195 -4.974 1.00 0.00 N ATOM 916 CA PRO A 64 -2.084 0.635 -5.089 1.00 0.00 C ATOM 917 C PRO A 64 -1.164 1.509 -5.934 1.00 0.00 C ATOM 918 O PRO A 64 -1.585 2.081 -6.938 1.00 0.00 O ATOM 919 CB PRO A 64 -2.317 -0.715 -5.772 1.00 0.00 C ATOM 920 CG PRO A 64 -3.589 -0.542 -6.528 1.00 0.00 C ATOM 921 CD PRO A 64 -4.430 0.400 -5.713 1.00 0.00 C ATOM 0 HA PRO A 64 -1.591 0.558 -4.120 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.492 -0.970 -6.438 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.397 -1.520 -5.041 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -3.400 -0.136 -7.522 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.095 -1.498 -6.665 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.057 1.029 -6.346 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -5.096 -0.138 -5.038 1.00 0.00 H new ATOM 929 N ALA A 65 0.096 1.607 -5.520 1.00 0.00 N ATOM 930 CA ALA A 65 1.076 2.409 -6.241 1.00 0.00 C ATOM 931 C ALA A 65 2.270 1.563 -6.669 1.00 0.00 C ATOM 932 O ALA A 65 2.402 1.205 -7.839 1.00 0.00 O ATOM 933 CB ALA A 65 1.536 3.578 -5.382 1.00 0.00 C ATOM 0 H ALA A 65 0.461 1.141 -4.689 1.00 0.00 H new ATOM 0 HA ALA A 65 0.599 2.798 -7.140 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.268 4.169 -5.933 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.680 4.204 -5.131 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.990 3.200 -4.466 1.00 0.00 H new ATOM 939 N ALA A 66 3.138 1.247 -5.714 1.00 0.00 N ATOM 940 CA ALA A 66 4.321 0.442 -5.992 1.00 0.00 C ATOM 941 C ALA A 66 5.090 0.134 -4.711 1.00 0.00 C ATOM 942 O ALA A 66 5.253 1.000 -3.852 1.00 0.00 O ATOM 943 CB ALA A 66 5.220 1.153 -6.992 1.00 0.00 C ATOM 0 H ALA A 66 3.044 1.536 -4.740 1.00 0.00 H new ATOM 0 HA ALA A 66 3.993 -0.504 -6.423 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.100 0.540 -7.190 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.674 1.315 -7.921 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.532 2.114 -6.582 1.00 0.00 H new ATOM 949 N ALA A 67 5.559 -1.103 -4.591 1.00 0.00 N ATOM 950 CA ALA A 67 6.311 -1.524 -3.415 1.00 0.00 C ATOM 951 C ALA A 67 7.776 -1.117 -3.527 1.00 0.00 C ATOM 952 O ALA A 67 8.396 -1.223 -4.585 1.00 0.00 O ATOM 953 CB ALA A 67 6.193 -3.029 -3.224 1.00 0.00 C ATOM 0 H ALA A 67 5.432 -1.831 -5.293 1.00 0.00 H new ATOM 0 HA ALA A 67 5.887 -1.024 -2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.759 -3.329 -2.342 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.145 -3.298 -3.091 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.590 -3.539 -4.102 1.00 0.00 H new