USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 621 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 53 LYS NZ :NH3+ 171:sc= 0.736 (180deg=0) USER MOD Set 1.2: A 55 ASN : amide:sc= 0.446 K(o=1.2,f=-14!) USER MOD Set 2.1: A 31 HIS : no HD1:sc= -0.0918 X(o=-0.092,f=-0.26) USER MOD Set 2.2: A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 34:sc= -3.32! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 130:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 35 THR OG1 : rot -162:sc= -2.24! USER MOD Single : A 36 LYS NZ :NH3+ 144:sc= -0.428 (180deg=-2.08!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0441 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.0686 X(o=-0.069,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -147:sc=-0.00307 (180deg=-0.0932) USER MOD Single : A 56 THR OG1 : rot -100:sc= -4.21! USER MOD Single : A 58 HIS : no HD1:sc= -0.586 X(o=-0.59,f=-0.3) USER MOD Single : A 77 LYS NZ :NH3+ -160:sc= -0.914 (180deg=-1.13) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -9.66! C(o=-9.7!,f=-21!) USER MOD Single : A 87 GLN : amide:sc= -9.15! C(o=-9.1!,f=-16!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 99 N VAL A 7 -2.304 -10.919 4.907 1.00 0.00 N ATOM 100 CA VAL A 7 -2.227 -10.166 3.623 1.00 0.00 C ATOM 101 C VAL A 7 -3.032 -8.861 3.730 1.00 0.00 C ATOM 102 O VAL A 7 -2.809 -8.053 4.611 1.00 0.00 O ATOM 103 CB VAL A 7 -2.847 -11.071 2.563 1.00 0.00 C ATOM 104 CG1 VAL A 7 -2.413 -10.573 1.188 1.00 0.00 C ATOM 105 CG2 VAL A 7 -2.403 -12.516 2.753 1.00 0.00 C ATOM 0 HA VAL A 7 -1.198 -9.905 3.375 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.933 -11.039 2.653 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.847 -11.209 0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.755 -9.548 1.048 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.326 -10.606 1.116 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.859 -13.141 1.985 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.318 -12.577 2.673 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.715 -12.866 3.737 1.00 0.00 H new ATOM 115 N ILE A 8 -3.967 -8.651 2.837 1.00 0.00 N ATOM 116 CA ILE A 8 -4.791 -7.416 2.869 1.00 0.00 C ATOM 117 C ILE A 8 -5.485 -7.260 4.225 1.00 0.00 C ATOM 118 O ILE A 8 -5.705 -8.220 4.937 1.00 0.00 O ATOM 119 CB ILE A 8 -5.818 -7.633 1.759 1.00 0.00 C ATOM 120 CG1 ILE A 8 -5.102 -7.967 0.451 1.00 0.00 C ATOM 121 CG2 ILE A 8 -6.629 -6.360 1.554 1.00 0.00 C ATOM 122 CD1 ILE A 8 -5.851 -9.096 -0.250 1.00 0.00 C ATOM 0 H ILE A 8 -4.193 -9.295 2.079 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.199 -6.512 2.726 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.476 -8.454 2.044 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.060 -7.087 -0.191 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.073 -8.265 0.651 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.361 -6.518 0.762 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.146 -6.105 2.479 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.962 -5.545 1.274 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.347 -9.341 -1.185 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.869 -9.975 0.394 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.872 -8.779 -0.461 1.00 0.00 H new ATOM 134 N LEU A 9 -5.834 -6.054 4.585 1.00 0.00 N ATOM 135 CA LEU A 9 -6.517 -5.831 5.891 1.00 0.00 C ATOM 136 C LEU A 9 -7.568 -4.724 5.755 1.00 0.00 C ATOM 137 O LEU A 9 -8.697 -4.972 5.380 1.00 0.00 O ATOM 138 CB LEU A 9 -5.406 -5.405 6.852 1.00 0.00 C ATOM 139 CG LEU A 9 -4.750 -6.646 7.455 1.00 0.00 C ATOM 140 CD1 LEU A 9 -3.418 -6.257 8.097 1.00 0.00 C ATOM 141 CD2 LEU A 9 -5.673 -7.243 8.520 1.00 0.00 C ATOM 0 H LEU A 9 -5.675 -5.213 4.030 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.039 -6.721 6.243 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.663 -4.808 6.324 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.816 -4.777 7.643 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.575 -7.382 6.671 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.949 -7.142 8.527 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.760 -5.830 7.340 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.594 -5.521 8.882 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.206 -8.129 8.951 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.848 -6.507 9.304 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.624 -7.520 8.064 1.00 0.00 H new ATOM 153 N ALA A 10 -7.210 -3.504 6.055 1.00 0.00 N ATOM 154 CA ALA A 10 -8.192 -2.388 5.939 1.00 0.00 C ATOM 155 C ALA A 10 -7.843 -1.496 4.744 1.00 0.00 C ATOM 156 O ALA A 10 -6.690 -1.361 4.387 1.00 0.00 O ATOM 157 CB ALA A 10 -8.062 -1.609 7.247 1.00 0.00 C ATOM 0 H ALA A 10 -6.280 -3.232 6.375 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.208 -2.748 5.778 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.755 -0.768 7.240 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.296 -2.265 8.086 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.042 -1.238 7.350 1.00 0.00 H new ATOM 163 N PRO A 11 -8.860 -0.914 4.169 1.00 0.00 N ATOM 164 CA PRO A 11 -8.666 -0.020 3.001 1.00 0.00 C ATOM 165 C PRO A 11 -8.053 1.311 3.445 1.00 0.00 C ATOM 166 O PRO A 11 -7.898 1.571 4.622 1.00 0.00 O ATOM 167 CB PRO A 11 -10.082 0.184 2.469 1.00 0.00 C ATOM 168 CG PRO A 11 -10.976 -0.055 3.644 1.00 0.00 C ATOM 169 CD PRO A 11 -10.272 -1.034 4.548 1.00 0.00 C ATOM 0 HA PRO A 11 -7.989 -0.432 2.252 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.213 1.191 2.072 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.303 -0.510 1.658 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.178 0.878 4.170 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.938 -0.453 3.321 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.426 -0.789 5.599 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.640 -2.049 4.401 1.00 0.00 H new ATOM 177 N VAL A 12 -7.703 2.155 2.515 1.00 0.00 N ATOM 178 CA VAL A 12 -7.099 3.468 2.890 1.00 0.00 C ATOM 179 C VAL A 12 -8.050 4.610 2.523 1.00 0.00 C ATOM 180 O VAL A 12 -8.665 4.606 1.476 1.00 0.00 O ATOM 181 CB VAL A 12 -5.805 3.567 2.076 1.00 0.00 C ATOM 182 CG1 VAL A 12 -5.085 2.217 2.079 1.00 0.00 C ATOM 183 CG2 VAL A 12 -6.132 3.967 0.634 1.00 0.00 C ATOM 0 H VAL A 12 -7.808 1.995 1.513 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.909 3.540 3.961 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.159 4.321 2.525 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.166 2.294 1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.845 1.935 3.104 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.731 1.459 1.636 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.209 4.037 0.058 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.783 3.216 0.187 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.636 4.933 0.630 1.00 0.00 H new ATOM 193 N LEU A 13 -8.166 5.593 3.370 1.00 0.00 N ATOM 194 CA LEU A 13 -9.069 6.734 3.058 1.00 0.00 C ATOM 195 C LEU A 13 -8.253 7.944 2.594 1.00 0.00 C ATOM 196 O LEU A 13 -7.518 8.538 3.357 1.00 0.00 O ATOM 197 CB LEU A 13 -9.790 7.040 4.368 1.00 0.00 C ATOM 198 CG LEU A 13 -10.786 5.921 4.679 1.00 0.00 C ATOM 199 CD1 LEU A 13 -11.625 5.619 3.437 1.00 0.00 C ATOM 200 CD2 LEU A 13 -10.023 4.661 5.095 1.00 0.00 C ATOM 0 H LEU A 13 -7.676 5.656 4.262 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.769 6.499 2.256 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.068 7.134 5.179 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.311 7.994 4.294 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.442 6.237 5.491 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.333 4.822 3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.170 6.515 3.139 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.971 5.305 2.624 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.732 3.863 5.317 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.367 4.348 4.283 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.426 4.873 5.982 1.00 0.00 H new ATOM 212 N SER A 14 -8.379 8.312 1.349 1.00 0.00 N ATOM 213 CA SER A 14 -7.612 9.483 0.837 1.00 0.00 C ATOM 214 C SER A 14 -8.235 9.991 -0.466 1.00 0.00 C ATOM 215 O SER A 14 -8.621 9.219 -1.322 1.00 0.00 O ATOM 216 CB SER A 14 -6.200 8.955 0.585 1.00 0.00 C ATOM 217 OG SER A 14 -6.260 7.557 0.331 1.00 0.00 O ATOM 0 H SER A 14 -8.979 7.853 0.664 1.00 0.00 H new ATOM 0 HA SER A 14 -7.614 10.317 1.539 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.752 9.472 -0.264 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.566 9.152 1.449 1.00 0.00 H new ATOM 0 HG SER A 14 -5.356 7.215 0.167 1.00 0.00 H new ATOM 223 N GLU A 15 -8.337 11.282 -0.622 1.00 0.00 N ATOM 224 CA GLU A 15 -8.936 11.836 -1.870 1.00 0.00 C ATOM 225 C GLU A 15 -8.412 11.074 -3.091 1.00 0.00 C ATOM 226 O GLU A 15 -9.171 10.632 -3.930 1.00 0.00 O ATOM 227 CB GLU A 15 -8.484 13.296 -1.913 1.00 0.00 C ATOM 228 CG GLU A 15 -9.219 14.026 -3.038 1.00 0.00 C ATOM 229 CD GLU A 15 -8.212 14.486 -4.093 1.00 0.00 C ATOM 230 OE1 GLU A 15 -7.106 14.839 -3.714 1.00 0.00 O ATOM 231 OE2 GLU A 15 -8.561 14.478 -5.262 1.00 0.00 O ATOM 0 H GLU A 15 -8.032 11.977 0.059 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.022 11.746 -1.882 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.688 13.779 -0.958 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.407 13.350 -2.073 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.960 13.367 -3.490 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.759 14.884 -2.637 1.00 0.00 H new ATOM 238 N LYS A 16 -7.121 10.919 -3.195 1.00 0.00 N ATOM 239 CA LYS A 16 -6.551 10.189 -4.359 1.00 0.00 C ATOM 240 C LYS A 16 -7.185 8.800 -4.475 1.00 0.00 C ATOM 241 O LYS A 16 -7.590 8.379 -5.540 1.00 0.00 O ATOM 242 CB LYS A 16 -5.056 10.072 -4.061 1.00 0.00 C ATOM 243 CG LYS A 16 -4.265 10.895 -5.080 1.00 0.00 C ATOM 244 CD LYS A 16 -4.725 10.537 -6.495 1.00 0.00 C ATOM 245 CE LYS A 16 -3.547 10.662 -7.463 1.00 0.00 C ATOM 246 NZ LYS A 16 -2.917 9.313 -7.480 1.00 0.00 N ATOM 0 H LYS A 16 -6.437 11.267 -2.523 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.740 10.704 -5.301 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.847 10.426 -3.051 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.747 9.028 -4.103 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.413 11.959 -4.897 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.198 10.698 -4.973 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.119 9.521 -6.514 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.535 11.198 -6.804 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.883 10.953 -8.458 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.841 11.423 -7.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.100 9.320 -8.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.601 9.065 -6.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.610 8.610 -7.808 1.00 0.00 H new ATOM 260 N ALA A 17 -7.275 8.085 -3.385 1.00 0.00 N ATOM 261 CA ALA A 17 -7.886 6.725 -3.434 1.00 0.00 C ATOM 262 C ALA A 17 -9.382 6.829 -3.735 1.00 0.00 C ATOM 263 O ALA A 17 -9.864 6.313 -4.724 1.00 0.00 O ATOM 264 CB ALA A 17 -7.661 6.139 -2.041 1.00 0.00 C ATOM 0 H ALA A 17 -6.952 8.383 -2.465 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.447 6.103 -4.214 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.084 5.135 -1.996 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.592 6.092 -1.834 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.147 6.771 -1.298 1.00 0.00 H new ATOM 270 N TYR A 18 -10.121 7.492 -2.889 1.00 0.00 N ATOM 271 CA TYR A 18 -11.586 7.628 -3.127 1.00 0.00 C ATOM 272 C TYR A 18 -11.851 7.978 -4.594 1.00 0.00 C ATOM 273 O TYR A 18 -12.878 7.640 -5.147 1.00 0.00 O ATOM 274 CB TYR A 18 -12.033 8.764 -2.205 1.00 0.00 C ATOM 275 CG TYR A 18 -12.547 8.180 -0.912 1.00 0.00 C ATOM 276 CD1 TYR A 18 -13.402 7.074 -0.942 1.00 0.00 C ATOM 277 CD2 TYR A 18 -12.167 8.739 0.313 1.00 0.00 C ATOM 278 CE1 TYR A 18 -13.880 6.525 0.255 1.00 0.00 C ATOM 279 CE2 TYR A 18 -12.645 8.191 1.510 1.00 0.00 C ATOM 280 CZ TYR A 18 -13.501 7.084 1.480 1.00 0.00 C ATOM 281 OH TYR A 18 -13.973 6.544 2.660 1.00 0.00 O ATOM 0 H TYR A 18 -9.774 7.945 -2.044 1.00 0.00 H new ATOM 0 HA TYR A 18 -12.129 6.705 -2.922 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -11.199 9.438 -2.008 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -12.813 9.354 -2.687 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -13.694 6.643 -1.888 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -11.506 9.592 0.336 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -14.541 5.671 0.232 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -12.353 8.623 2.456 1.00 0.00 H new ATOM 0 HH TYR A 18 -14.068 5.574 2.561 1.00 0.00 H new ATOM 291 N ALA A 19 -10.929 8.648 -5.228 1.00 0.00 N ATOM 292 CA ALA A 19 -11.125 9.010 -6.661 1.00 0.00 C ATOM 293 C ALA A 19 -10.552 7.909 -7.559 1.00 0.00 C ATOM 294 O ALA A 19 -10.895 7.793 -8.718 1.00 0.00 O ATOM 295 CB ALA A 19 -10.357 10.318 -6.852 1.00 0.00 C ATOM 0 H ALA A 19 -10.049 8.960 -4.817 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.177 9.121 -6.922 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.454 10.649 -7.886 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.764 11.080 -6.187 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.304 10.159 -6.619 1.00 0.00 H new ATOM 301 N GLY A 20 -9.688 7.092 -7.019 1.00 0.00 N ATOM 302 CA GLY A 20 -9.091 5.984 -7.818 1.00 0.00 C ATOM 303 C GLY A 20 -9.889 4.718 -7.547 1.00 0.00 C ATOM 304 O GLY A 20 -10.181 3.945 -8.437 1.00 0.00 O ATOM 0 H GLY A 20 -9.368 7.145 -6.052 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.113 6.227 -8.880 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.045 5.840 -7.546 1.00 0.00 H new ATOM 308 N PHE A 21 -10.260 4.514 -6.317 1.00 0.00 N ATOM 309 CA PHE A 21 -11.060 3.314 -5.972 1.00 0.00 C ATOM 310 C PHE A 21 -12.466 3.465 -6.566 1.00 0.00 C ATOM 311 O PHE A 21 -13.218 2.517 -6.680 1.00 0.00 O ATOM 312 CB PHE A 21 -11.073 3.297 -4.429 1.00 0.00 C ATOM 313 CG PHE A 21 -12.413 3.752 -3.886 1.00 0.00 C ATOM 314 CD1 PHE A 21 -12.943 4.985 -4.276 1.00 0.00 C ATOM 315 CD2 PHE A 21 -13.119 2.936 -2.996 1.00 0.00 C ATOM 316 CE1 PHE A 21 -14.181 5.404 -3.777 1.00 0.00 C ATOM 317 CE2 PHE A 21 -14.357 3.354 -2.495 1.00 0.00 C ATOM 318 CZ PHE A 21 -14.889 4.588 -2.887 1.00 0.00 C ATOM 0 H PHE A 21 -10.042 5.130 -5.534 1.00 0.00 H new ATOM 0 HA PHE A 21 -10.659 2.381 -6.367 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.856 2.290 -4.072 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.284 3.947 -4.049 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -12.397 5.615 -4.963 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -12.709 1.983 -2.695 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -14.590 6.357 -4.078 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -14.902 2.725 -1.806 1.00 0.00 H new ATOM 0 HZ PHE A 21 -15.845 4.910 -2.503 1.00 0.00 H new ATOM 328 N ALA A 22 -12.817 4.668 -6.925 1.00 0.00 N ATOM 329 CA ALA A 22 -14.162 4.930 -7.495 1.00 0.00 C ATOM 330 C ALA A 22 -14.394 4.091 -8.755 1.00 0.00 C ATOM 331 O ALA A 22 -15.515 3.860 -9.161 1.00 0.00 O ATOM 332 CB ALA A 22 -14.151 6.417 -7.837 1.00 0.00 C ATOM 0 H ALA A 22 -12.219 5.490 -6.845 1.00 0.00 H new ATOM 0 HA ALA A 22 -14.960 4.668 -6.801 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -15.112 6.699 -8.266 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.974 6.997 -6.931 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.359 6.619 -8.558 1.00 0.00 H new ATOM 338 N GLU A 23 -13.342 3.641 -9.378 1.00 0.00 N ATOM 339 CA GLU A 23 -13.494 2.823 -10.616 1.00 0.00 C ATOM 340 C GLU A 23 -13.625 1.342 -10.259 1.00 0.00 C ATOM 341 O GLU A 23 -13.436 0.475 -11.088 1.00 0.00 O ATOM 342 CB GLU A 23 -12.204 3.063 -11.401 1.00 0.00 C ATOM 343 CG GLU A 23 -12.532 3.245 -12.884 1.00 0.00 C ATOM 344 CD GLU A 23 -11.764 2.208 -13.707 1.00 0.00 C ATOM 345 OE1 GLU A 23 -10.792 1.676 -13.194 1.00 0.00 O ATOM 346 OE2 GLU A 23 -12.160 1.964 -14.833 1.00 0.00 O ATOM 0 H GLU A 23 -12.379 3.804 -9.083 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.383 3.095 -11.185 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.694 3.948 -11.020 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.524 2.221 -11.269 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.604 3.133 -13.047 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.264 4.251 -13.206 1.00 0.00 H new ATOM 353 N GLY A 24 -13.926 1.045 -9.028 1.00 0.00 N ATOM 354 CA GLY A 24 -14.043 -0.371 -8.614 1.00 0.00 C ATOM 355 C GLY A 24 -12.695 -0.828 -8.051 1.00 0.00 C ATOM 356 O GLY A 24 -12.522 -1.965 -7.663 1.00 0.00 O ATOM 0 H GLY A 24 -14.096 1.728 -8.290 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.824 -0.482 -7.862 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.328 -0.991 -9.464 1.00 0.00 H new ATOM 360 N LYS A 25 -11.744 0.066 -7.997 1.00 0.00 N ATOM 361 CA LYS A 25 -10.399 -0.279 -7.459 1.00 0.00 C ATOM 362 C LYS A 25 -10.432 -0.202 -5.930 1.00 0.00 C ATOM 363 O LYS A 25 -11.020 0.695 -5.367 1.00 0.00 O ATOM 364 CB LYS A 25 -9.478 0.805 -8.034 1.00 0.00 C ATOM 365 CG LYS A 25 -9.181 0.503 -9.502 1.00 0.00 C ATOM 366 CD LYS A 25 -8.449 1.690 -10.130 1.00 0.00 C ATOM 367 CE LYS A 25 -7.720 1.233 -11.395 1.00 0.00 C ATOM 368 NZ LYS A 25 -6.338 0.904 -10.947 1.00 0.00 N ATOM 0 H LYS A 25 -11.845 1.032 -8.307 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.069 -1.283 -7.726 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.950 1.783 -7.942 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.549 0.845 -7.466 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.572 -0.397 -9.583 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.109 0.309 -10.039 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.159 2.481 -10.373 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.737 2.108 -9.419 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.208 0.365 -11.840 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.713 2.018 -12.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.777 0.582 -11.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.896 1.750 -10.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.375 0.149 -10.232 1.00 0.00 H new ATOM 382 N TYR A 26 -9.833 -1.135 -5.243 1.00 0.00 N ATOM 383 CA TYR A 26 -9.878 -1.067 -3.754 1.00 0.00 C ATOM 384 C TYR A 26 -8.485 -1.189 -3.132 1.00 0.00 C ATOM 385 O TYR A 26 -7.924 -2.263 -3.035 1.00 0.00 O ATOM 386 CB TYR A 26 -10.772 -2.231 -3.332 1.00 0.00 C ATOM 387 CG TYR A 26 -12.157 -2.016 -3.893 1.00 0.00 C ATOM 388 CD1 TYR A 26 -12.743 -0.745 -3.837 1.00 0.00 C ATOM 389 CD2 TYR A 26 -12.855 -3.082 -4.471 1.00 0.00 C ATOM 390 CE1 TYR A 26 -14.025 -0.542 -4.358 1.00 0.00 C ATOM 391 CE2 TYR A 26 -14.138 -2.878 -4.993 1.00 0.00 C ATOM 392 CZ TYR A 26 -14.723 -1.608 -4.936 1.00 0.00 C ATOM 393 OH TYR A 26 -15.987 -1.408 -5.452 1.00 0.00 O ATOM 0 H TYR A 26 -9.324 -1.926 -5.637 1.00 0.00 H new ATOM 0 HA TYR A 26 -10.262 -0.106 -3.412 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -10.361 -3.173 -3.696 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.813 -2.300 -2.245 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.205 0.078 -3.391 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -12.404 -4.062 -4.514 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -14.476 0.438 -4.314 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -14.676 -3.701 -5.440 1.00 0.00 H new ATOM 0 HH TYR A 26 -16.032 -1.775 -6.359 1.00 0.00 H new ATOM 403 N THR A 27 -7.941 -0.090 -2.685 1.00 0.00 N ATOM 404 CA THR A 27 -6.604 -0.103 -2.041 1.00 0.00 C ATOM 405 C THR A 27 -6.726 -0.682 -0.636 1.00 0.00 C ATOM 406 O THR A 27 -7.685 -0.437 0.070 1.00 0.00 O ATOM 407 CB THR A 27 -6.175 1.364 -1.984 1.00 0.00 C ATOM 408 OG1 THR A 27 -6.655 2.041 -3.137 1.00 0.00 O ATOM 409 CG2 THR A 27 -4.649 1.450 -1.937 1.00 0.00 C ATOM 0 H THR A 27 -8.377 0.830 -2.742 1.00 0.00 H new ATOM 0 HA THR A 27 -5.880 -0.711 -2.584 1.00 0.00 H new ATOM 0 HB THR A 27 -6.590 1.830 -1.090 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.382 2.982 -3.101 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.345 2.496 -1.896 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.282 0.931 -1.052 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.231 0.985 -2.830 1.00 0.00 H new ATOM 417 N PHE A 28 -5.772 -1.461 -0.234 1.00 0.00 N ATOM 418 CA PHE A 28 -5.832 -2.079 1.117 1.00 0.00 C ATOM 419 C PHE A 28 -4.486 -1.953 1.820 1.00 0.00 C ATOM 420 O PHE A 28 -3.481 -1.687 1.203 1.00 0.00 O ATOM 421 CB PHE A 28 -6.133 -3.548 0.858 1.00 0.00 C ATOM 422 CG PHE A 28 -7.487 -3.707 0.212 1.00 0.00 C ATOM 423 CD1 PHE A 28 -8.533 -2.838 0.540 1.00 0.00 C ATOM 424 CD2 PHE A 28 -7.696 -4.738 -0.711 1.00 0.00 C ATOM 425 CE1 PHE A 28 -9.789 -2.999 -0.057 1.00 0.00 C ATOM 426 CE2 PHE A 28 -8.951 -4.900 -1.308 1.00 0.00 C ATOM 427 CZ PHE A 28 -9.997 -4.031 -0.981 1.00 0.00 C ATOM 0 H PHE A 28 -4.947 -1.700 -0.783 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.578 -1.599 1.751 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.364 -3.974 0.213 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.105 -4.102 1.797 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -8.372 -2.043 1.253 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.888 -5.409 -0.963 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.597 -2.328 0.195 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -9.112 -5.695 -2.021 1.00 0.00 H new ATOM 0 HZ PHE A 28 -10.966 -4.156 -1.441 1.00 0.00 H new ATOM 437 N TRP A 29 -4.452 -2.183 3.102 1.00 0.00 N ATOM 438 CA TRP A 29 -3.162 -2.120 3.833 1.00 0.00 C ATOM 439 C TRP A 29 -2.668 -3.550 3.989 1.00 0.00 C ATOM 440 O TRP A 29 -3.368 -4.399 4.504 1.00 0.00 O ATOM 441 CB TRP A 29 -3.489 -1.501 5.192 1.00 0.00 C ATOM 442 CG TRP A 29 -3.567 -0.013 5.055 1.00 0.00 C ATOM 443 CD1 TRP A 29 -4.596 0.753 5.485 1.00 0.00 C ATOM 444 CD2 TRP A 29 -2.599 0.898 4.458 1.00 0.00 C ATOM 445 NE1 TRP A 29 -4.320 2.077 5.189 1.00 0.00 N ATOM 446 CE2 TRP A 29 -3.102 2.217 4.557 1.00 0.00 C ATOM 447 CE3 TRP A 29 -1.345 0.711 3.847 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -2.387 3.311 4.066 1.00 0.00 C ATOM 449 CZ3 TRP A 29 -0.624 1.810 3.353 1.00 0.00 C ATOM 450 CH2 TRP A 29 -1.144 3.107 3.462 1.00 0.00 C ATOM 0 H TRP A 29 -5.265 -2.412 3.674 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.394 -1.535 3.328 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.436 -1.893 5.564 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.724 -1.771 5.920 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.486 0.391 5.978 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.942 2.854 5.411 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.935 -0.284 3.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.792 4.308 4.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.337 1.655 2.886 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.584 3.948 3.079 1.00 0.00 H new ATOM 461 N VAL A 30 -1.502 -3.851 3.508 1.00 0.00 N ATOM 462 CA VAL A 30 -1.036 -5.245 3.598 1.00 0.00 C ATOM 463 C VAL A 30 0.477 -5.322 3.748 1.00 0.00 C ATOM 464 O VAL A 30 1.194 -4.363 3.538 1.00 0.00 O ATOM 465 CB VAL A 30 -1.486 -5.847 2.280 1.00 0.00 C ATOM 466 CG1 VAL A 30 -0.895 -5.052 1.115 1.00 0.00 C ATOM 467 CG2 VAL A 30 -1.026 -7.281 2.200 1.00 0.00 C ATOM 0 H VAL A 30 -0.860 -3.197 3.061 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.434 -5.767 4.468 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.574 -5.809 2.221 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.223 -5.490 0.172 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.234 -4.018 1.171 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.193 -5.081 1.170 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.349 -7.714 1.253 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.061 -7.318 2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.458 -7.848 3.025 1.00 0.00 H new ATOM 477 N HIS A 31 0.958 -6.468 4.121 1.00 0.00 N ATOM 478 CA HIS A 31 2.426 -6.649 4.304 1.00 0.00 C ATOM 479 C HIS A 31 3.162 -6.400 2.986 1.00 0.00 C ATOM 480 O HIS A 31 2.610 -6.582 1.920 1.00 0.00 O ATOM 481 CB HIS A 31 2.595 -8.102 4.746 1.00 0.00 C ATOM 482 CG HIS A 31 3.067 -8.138 6.174 1.00 0.00 C ATOM 483 ND1 HIS A 31 4.242 -8.773 6.547 1.00 0.00 N ATOM 484 CD2 HIS A 31 2.536 -7.623 7.329 1.00 0.00 C ATOM 485 CE1 HIS A 31 4.379 -8.623 7.878 1.00 0.00 C ATOM 486 NE2 HIS A 31 3.365 -7.929 8.404 1.00 0.00 N ATOM 0 H HIS A 31 0.395 -7.298 4.310 1.00 0.00 H new ATOM 0 HA HIS A 31 2.838 -5.950 5.032 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.649 -8.635 4.650 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.313 -8.609 4.101 1.00 0.00 H new ATOM 0 HD2 HIS A 31 1.614 -7.064 7.394 1.00 0.00 H new ATOM 0 HE1 HIS A 31 5.207 -9.015 8.450 1.00 0.00 H new ATOM 0 HE2 HIS A 31 3.228 -7.678 9.383 1.00 0.00 H new ATOM 494 N PRO A 32 4.394 -5.989 3.111 1.00 0.00 N ATOM 495 CA PRO A 32 5.233 -5.706 1.920 1.00 0.00 C ATOM 496 C PRO A 32 5.656 -7.009 1.247 1.00 0.00 C ATOM 497 O PRO A 32 6.799 -7.413 1.313 1.00 0.00 O ATOM 498 CB PRO A 32 6.443 -4.986 2.501 1.00 0.00 C ATOM 499 CG PRO A 32 6.520 -5.441 3.924 1.00 0.00 C ATOM 500 CD PRO A 32 5.115 -5.752 4.366 1.00 0.00 C ATOM 0 HA PRO A 32 4.715 -5.121 1.160 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.352 -5.240 1.956 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.326 -3.904 2.439 1.00 0.00 H new ATOM 0 HG2 PRO A 32 7.156 -6.322 4.013 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.959 -4.666 4.553 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.085 -6.627 5.015 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.680 -4.924 4.926 1.00 0.00 H new ATOM 508 N LYS A 33 4.739 -7.678 0.611 1.00 0.00 N ATOM 509 CA LYS A 33 5.087 -8.964 -0.051 1.00 0.00 C ATOM 510 C LYS A 33 3.846 -9.570 -0.707 1.00 0.00 C ATOM 511 O LYS A 33 3.924 -10.202 -1.741 1.00 0.00 O ATOM 512 CB LYS A 33 5.588 -9.867 1.079 1.00 0.00 C ATOM 513 CG LYS A 33 4.701 -9.691 2.319 1.00 0.00 C ATOM 514 CD LYS A 33 4.071 -11.034 2.693 1.00 0.00 C ATOM 515 CE LYS A 33 5.069 -11.855 3.513 1.00 0.00 C ATOM 516 NZ LYS A 33 4.460 -11.955 4.869 1.00 0.00 N ATOM 0 H LYS A 33 3.764 -7.391 0.520 1.00 0.00 H new ATOM 0 HA LYS A 33 5.834 -8.837 -0.835 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.576 -10.908 0.757 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.622 -9.621 1.322 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.293 -9.311 3.151 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.922 -8.955 2.120 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.158 -10.872 3.267 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.789 -11.579 1.792 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.223 -12.841 3.075 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.043 -11.368 3.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.086 -12.505 5.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.331 -11.001 5.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.537 -12.429 4.801 1.00 0.00 H new ATOM 530 N ALA A 34 2.703 -9.386 -0.107 1.00 0.00 N ATOM 531 CA ALA A 34 1.457 -9.956 -0.689 1.00 0.00 C ATOM 532 C ALA A 34 1.437 -9.744 -2.205 1.00 0.00 C ATOM 533 O ALA A 34 1.023 -8.711 -2.692 1.00 0.00 O ATOM 534 CB ALA A 34 0.317 -9.184 -0.025 1.00 0.00 C ATOM 0 H ALA A 34 2.578 -8.865 0.761 1.00 0.00 H new ATOM 0 HA ALA A 34 1.375 -11.029 -0.517 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.638 -9.548 -0.404 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.359 -9.330 1.054 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.416 -8.122 -0.251 1.00 0.00 H new ATOM 540 N THR A 35 1.882 -10.715 -2.954 1.00 0.00 N ATOM 541 CA THR A 35 1.891 -10.568 -4.437 1.00 0.00 C ATOM 542 C THR A 35 0.535 -10.051 -4.927 1.00 0.00 C ATOM 543 O THR A 35 -0.477 -10.219 -4.276 1.00 0.00 O ATOM 544 CB THR A 35 2.155 -11.977 -4.972 1.00 0.00 C ATOM 545 OG1 THR A 35 1.784 -12.932 -3.988 1.00 0.00 O ATOM 546 CG2 THR A 35 3.641 -12.127 -5.299 1.00 0.00 C ATOM 0 H THR A 35 2.240 -11.604 -2.603 1.00 0.00 H new ATOM 0 HA THR A 35 2.642 -9.855 -4.777 1.00 0.00 H new ATOM 0 HB THR A 35 1.568 -12.141 -5.876 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.206 -13.793 -4.192 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.830 -13.130 -5.680 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.923 -11.393 -6.054 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.230 -11.965 -4.397 1.00 0.00 H new ATOM 554 N LYS A 36 0.509 -9.422 -6.070 1.00 0.00 N ATOM 555 CA LYS A 36 -0.780 -8.892 -6.602 1.00 0.00 C ATOM 556 C LYS A 36 -1.803 -10.026 -6.738 1.00 0.00 C ATOM 557 O LYS A 36 -2.983 -9.840 -6.512 1.00 0.00 O ATOM 558 CB LYS A 36 -0.432 -8.313 -7.973 1.00 0.00 C ATOM 559 CG LYS A 36 0.349 -7.007 -7.796 1.00 0.00 C ATOM 560 CD LYS A 36 -0.458 -5.846 -8.382 1.00 0.00 C ATOM 561 CE LYS A 36 0.456 -4.639 -8.602 1.00 0.00 C ATOM 562 NZ LYS A 36 1.505 -5.117 -9.545 1.00 0.00 N ATOM 0 H LYS A 36 1.324 -9.252 -6.659 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.224 -8.144 -5.945 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.161 -9.029 -8.541 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.343 -8.130 -8.543 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.547 -6.829 -6.739 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.316 -7.079 -8.293 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.912 -6.147 -9.326 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.272 -5.580 -7.707 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.096 -3.797 -9.019 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.894 -4.299 -7.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.765 -4.347 -10.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.344 -5.416 -9.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.139 -5.922 -10.092 1.00 0.00 H new ATOM 576 N THR A 37 -1.363 -11.198 -7.106 1.00 0.00 N ATOM 577 CA THR A 37 -2.313 -12.338 -7.255 1.00 0.00 C ATOM 578 C THR A 37 -2.735 -12.874 -5.886 1.00 0.00 C ATOM 579 O THR A 37 -3.906 -13.040 -5.608 1.00 0.00 O ATOM 580 CB THR A 37 -1.544 -13.400 -8.017 1.00 0.00 C ATOM 581 OG1 THR A 37 -0.718 -12.784 -8.995 1.00 0.00 O ATOM 582 CG2 THR A 37 -2.525 -14.356 -8.694 1.00 0.00 C ATOM 0 H THR A 37 -0.388 -11.416 -7.310 1.00 0.00 H new ATOM 0 HA THR A 37 -3.224 -12.037 -7.772 1.00 0.00 H new ATOM 0 HB THR A 37 -0.918 -13.961 -7.323 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.221 -13.473 -9.484 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.971 -15.119 -9.241 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.149 -14.833 -7.938 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.156 -13.799 -9.387 1.00 0.00 H new ATOM 590 N GLU A 38 -1.791 -13.147 -5.027 1.00 0.00 N ATOM 591 CA GLU A 38 -2.146 -13.674 -3.679 1.00 0.00 C ATOM 592 C GLU A 38 -3.129 -12.722 -2.998 1.00 0.00 C ATOM 593 O GLU A 38 -4.050 -13.140 -2.325 1.00 0.00 O ATOM 594 CB GLU A 38 -0.825 -13.728 -2.910 1.00 0.00 C ATOM 595 CG GLU A 38 -0.144 -15.074 -3.161 1.00 0.00 C ATOM 596 CD GLU A 38 1.101 -15.189 -2.278 1.00 0.00 C ATOM 597 OE1 GLU A 38 1.009 -14.845 -1.111 1.00 0.00 O ATOM 598 OE2 GLU A 38 2.125 -15.618 -2.785 1.00 0.00 O ATOM 0 H GLU A 38 -0.793 -13.028 -5.200 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.623 -14.653 -3.725 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.173 -12.914 -3.227 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.007 -13.593 -1.844 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.834 -15.889 -2.943 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.133 -15.163 -4.212 1.00 0.00 H new ATOM 605 N ILE A 39 -2.947 -11.445 -3.180 1.00 0.00 N ATOM 606 CA ILE A 39 -3.878 -10.464 -2.556 1.00 0.00 C ATOM 607 C ILE A 39 -5.309 -10.747 -3.030 1.00 0.00 C ATOM 608 O ILE A 39 -6.270 -10.515 -2.329 1.00 0.00 O ATOM 609 CB ILE A 39 -3.396 -9.099 -3.059 1.00 0.00 C ATOM 610 CG1 ILE A 39 -2.165 -8.667 -2.259 1.00 0.00 C ATOM 611 CG2 ILE A 39 -4.503 -8.056 -2.887 1.00 0.00 C ATOM 612 CD1 ILE A 39 -1.680 -7.304 -2.761 1.00 0.00 C ATOM 0 H ILE A 39 -2.194 -11.037 -3.734 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.885 -10.513 -1.467 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.140 -9.179 -4.116 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.410 -8.609 -1.198 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.372 -9.408 -2.364 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.151 -7.089 -3.247 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.380 -8.359 -3.459 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.767 -7.976 -1.832 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.803 -6.997 -2.191 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.419 -7.377 -3.817 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.472 -6.566 -2.633 1.00 0.00 H new ATOM 624 N LYS A 40 -5.449 -11.249 -4.225 1.00 0.00 N ATOM 625 CA LYS A 40 -6.807 -11.550 -4.767 1.00 0.00 C ATOM 626 C LYS A 40 -7.522 -12.600 -3.911 1.00 0.00 C ATOM 627 O LYS A 40 -8.688 -12.473 -3.596 1.00 0.00 O ATOM 628 CB LYS A 40 -6.543 -12.112 -6.163 1.00 0.00 C ATOM 629 CG LYS A 40 -7.861 -12.208 -6.932 1.00 0.00 C ATOM 630 CD LYS A 40 -7.618 -11.884 -8.408 1.00 0.00 C ATOM 631 CE LYS A 40 -7.134 -13.143 -9.133 1.00 0.00 C ATOM 632 NZ LYS A 40 -6.017 -12.681 -10.003 1.00 0.00 N ATOM 0 H LYS A 40 -4.677 -11.466 -4.855 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.446 -10.667 -4.775 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.843 -11.470 -6.698 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.080 -13.096 -6.089 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.279 -13.210 -6.833 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.590 -11.515 -6.512 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.536 -11.517 -8.867 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.876 -11.090 -8.500 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.796 -13.900 -8.426 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.934 -13.591 -9.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.633 -13.489 -10.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.370 -11.966 -10.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.267 -12.265 -9.414 1.00 0.00 H new ATOM 646 N ASN A 41 -6.835 -13.650 -3.564 1.00 0.00 N ATOM 647 CA ASN A 41 -7.465 -14.739 -2.761 1.00 0.00 C ATOM 648 C ASN A 41 -8.006 -14.233 -1.415 1.00 0.00 C ATOM 649 O ASN A 41 -9.023 -14.700 -0.941 1.00 0.00 O ATOM 650 CB ASN A 41 -6.341 -15.751 -2.533 1.00 0.00 C ATOM 651 CG ASN A 41 -6.160 -16.604 -3.791 1.00 0.00 C ATOM 652 OD1 ASN A 41 -6.687 -17.695 -3.878 1.00 0.00 O ATOM 653 ND2 ASN A 41 -5.433 -16.150 -4.777 1.00 0.00 N ATOM 0 H ASN A 41 -5.855 -13.804 -3.803 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.324 -15.163 -3.281 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.412 -15.232 -2.296 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.577 -16.387 -1.680 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.308 -16.712 -5.619 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.990 -15.234 -4.705 1.00 0.00 H new ATOM 660 N ALA A 42 -7.338 -13.312 -0.777 1.00 0.00 N ATOM 661 CA ALA A 42 -7.833 -12.831 0.551 1.00 0.00 C ATOM 662 C ALA A 42 -9.075 -11.942 0.405 1.00 0.00 C ATOM 663 O ALA A 42 -10.069 -12.150 1.074 1.00 0.00 O ATOM 664 CB ALA A 42 -6.670 -12.049 1.164 1.00 0.00 C ATOM 0 H ALA A 42 -6.480 -12.873 -1.110 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.138 -13.666 1.182 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.964 -11.667 2.141 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.808 -12.707 1.276 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.408 -11.216 0.512 1.00 0.00 H new ATOM 670 N VAL A 43 -9.042 -10.949 -0.443 1.00 0.00 N ATOM 671 CA VAL A 43 -10.244 -10.069 -0.582 1.00 0.00 C ATOM 672 C VAL A 43 -11.421 -10.854 -1.167 1.00 0.00 C ATOM 673 O VAL A 43 -12.566 -10.573 -0.875 1.00 0.00 O ATOM 674 CB VAL A 43 -9.836 -8.934 -1.524 1.00 0.00 C ATOM 675 CG1 VAL A 43 -8.942 -7.946 -0.774 1.00 0.00 C ATOM 676 CG2 VAL A 43 -9.081 -9.499 -2.728 1.00 0.00 C ATOM 0 H VAL A 43 -8.249 -10.709 -1.038 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.566 -9.685 0.386 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.731 -8.421 -1.876 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.651 -7.137 -1.444 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.487 -7.535 0.076 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.050 -8.461 -0.418 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.795 -8.684 -3.393 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.187 -10.019 -2.385 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.723 -10.197 -3.265 1.00 0.00 H new ATOM 686 N GLU A 44 -11.156 -11.834 -1.985 1.00 0.00 N ATOM 687 CA GLU A 44 -12.275 -12.624 -2.574 1.00 0.00 C ATOM 688 C GLU A 44 -13.050 -13.341 -1.464 1.00 0.00 C ATOM 689 O GLU A 44 -14.256 -13.231 -1.365 1.00 0.00 O ATOM 690 CB GLU A 44 -11.605 -13.637 -3.503 1.00 0.00 C ATOM 691 CG GLU A 44 -12.158 -13.471 -4.920 1.00 0.00 C ATOM 692 CD GLU A 44 -13.500 -14.195 -5.033 1.00 0.00 C ATOM 693 OE1 GLU A 44 -14.135 -14.387 -4.010 1.00 0.00 O ATOM 694 OE2 GLU A 44 -13.870 -14.547 -6.142 1.00 0.00 O ATOM 0 H GLU A 44 -10.220 -12.121 -2.270 1.00 0.00 H new ATOM 0 HA GLU A 44 -12.988 -11.997 -3.109 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.525 -13.489 -3.503 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.788 -14.651 -3.146 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.283 -12.413 -5.151 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.453 -13.875 -5.646 1.00 0.00 H new ATOM 701 N THR A 45 -12.366 -14.070 -0.627 1.00 0.00 N ATOM 702 CA THR A 45 -13.062 -14.789 0.479 1.00 0.00 C ATOM 703 C THR A 45 -13.362 -13.825 1.631 1.00 0.00 C ATOM 704 O THR A 45 -14.157 -14.115 2.504 1.00 0.00 O ATOM 705 CB THR A 45 -12.086 -15.876 0.914 1.00 0.00 C ATOM 706 OG1 THR A 45 -12.184 -16.980 0.024 1.00 0.00 O ATOM 707 CG2 THR A 45 -12.406 -16.337 2.338 1.00 0.00 C ATOM 0 H THR A 45 -11.355 -14.200 -0.660 1.00 0.00 H new ATOM 0 HA THR A 45 -14.019 -15.207 0.168 1.00 0.00 H new ATOM 0 HB THR A 45 -11.073 -15.474 0.893 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.556 -17.680 0.300 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.701 -17.113 2.636 1.00 0.00 H new ATOM 0 HG22 THR A 45 -12.325 -15.491 3.021 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.420 -16.735 2.372 1.00 0.00 H new ATOM 715 N ALA A 46 -12.730 -12.683 1.644 1.00 0.00 N ATOM 716 CA ALA A 46 -12.975 -11.705 2.744 1.00 0.00 C ATOM 717 C ALA A 46 -14.050 -10.693 2.332 1.00 0.00 C ATOM 718 O ALA A 46 -15.097 -10.604 2.941 1.00 0.00 O ATOM 719 CB ALA A 46 -11.634 -11.005 2.956 1.00 0.00 C ATOM 0 H ALA A 46 -12.054 -12.384 0.941 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.332 -12.190 3.652 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.731 -10.267 3.752 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.879 -11.741 3.233 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.334 -10.507 2.034 1.00 0.00 H new ATOM 725 N PHE A 47 -13.798 -9.927 1.305 1.00 0.00 N ATOM 726 CA PHE A 47 -14.807 -8.921 0.863 1.00 0.00 C ATOM 727 C PHE A 47 -16.001 -9.625 0.209 1.00 0.00 C ATOM 728 O PHE A 47 -17.055 -9.047 0.035 1.00 0.00 O ATOM 729 CB PHE A 47 -14.073 -8.042 -0.148 1.00 0.00 C ATOM 730 CG PHE A 47 -13.267 -6.998 0.589 1.00 0.00 C ATOM 731 CD1 PHE A 47 -13.864 -6.241 1.603 1.00 0.00 C ATOM 732 CD2 PHE A 47 -11.923 -6.790 0.260 1.00 0.00 C ATOM 733 CE1 PHE A 47 -13.116 -5.274 2.288 1.00 0.00 C ATOM 734 CE2 PHE A 47 -11.175 -5.824 0.944 1.00 0.00 C ATOM 735 CZ PHE A 47 -11.773 -5.066 1.958 1.00 0.00 C ATOM 0 H PHE A 47 -12.940 -9.954 0.754 1.00 0.00 H new ATOM 0 HA PHE A 47 -15.203 -8.336 1.693 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.417 -8.652 -0.769 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -14.788 -7.561 -0.816 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -14.901 -6.402 1.858 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -11.462 -7.375 -0.522 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.577 -4.689 3.071 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.138 -5.664 0.690 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.197 -4.320 2.486 1.00 0.00 H new ATOM 745 N LYS A 48 -15.838 -10.867 -0.152 1.00 0.00 N ATOM 746 CA LYS A 48 -16.954 -11.621 -0.795 1.00 0.00 C ATOM 747 C LYS A 48 -17.352 -10.956 -2.108 1.00 0.00 C ATOM 748 O LYS A 48 -18.516 -10.767 -2.400 1.00 0.00 O ATOM 749 CB LYS A 48 -18.106 -11.575 0.209 1.00 0.00 C ATOM 750 CG LYS A 48 -17.609 -12.039 1.580 1.00 0.00 C ATOM 751 CD LYS A 48 -18.067 -13.478 1.828 1.00 0.00 C ATOM 752 CE LYS A 48 -18.571 -13.613 3.267 1.00 0.00 C ATOM 753 NZ LYS A 48 -18.423 -15.059 3.592 1.00 0.00 N ATOM 0 H LYS A 48 -14.975 -11.397 -0.029 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.672 -12.647 -1.034 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -18.502 -10.562 0.278 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.922 -12.214 -0.129 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -16.522 -11.979 1.624 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -17.996 -11.383 2.360 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -18.859 -13.745 1.128 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -17.242 -14.169 1.654 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -17.989 -12.993 3.949 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -19.609 -13.293 3.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -18.749 -15.231 4.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -18.994 -15.624 2.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -17.423 -15.333 3.508 1.00 0.00 H new ATOM 767 N VAL A 49 -16.386 -10.598 -2.900 1.00 0.00 N ATOM 768 CA VAL A 49 -16.682 -9.943 -4.196 1.00 0.00 C ATOM 769 C VAL A 49 -15.951 -10.669 -5.329 1.00 0.00 C ATOM 770 O VAL A 49 -15.490 -11.782 -5.176 1.00 0.00 O ATOM 771 CB VAL A 49 -16.168 -8.505 -4.015 1.00 0.00 C ATOM 772 CG1 VAL A 49 -14.808 -8.301 -4.699 1.00 0.00 C ATOM 773 CG2 VAL A 49 -17.185 -7.543 -4.608 1.00 0.00 C ATOM 0 H VAL A 49 -15.395 -10.733 -2.702 1.00 0.00 H new ATOM 0 HA VAL A 49 -17.739 -9.963 -4.460 1.00 0.00 H new ATOM 0 HB VAL A 49 -16.036 -8.316 -2.950 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -14.476 -7.273 -4.550 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -14.077 -8.984 -4.267 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -14.904 -8.500 -5.766 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -16.832 -6.519 -4.486 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -17.314 -7.758 -5.669 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -18.140 -7.661 -4.095 1.00 0.00 H new ATOM 783 N LYS A 50 -15.828 -10.032 -6.455 1.00 0.00 N ATOM 784 CA LYS A 50 -15.108 -10.663 -7.595 1.00 0.00 C ATOM 785 C LYS A 50 -13.888 -9.818 -7.953 1.00 0.00 C ATOM 786 O LYS A 50 -14.009 -8.753 -8.522 1.00 0.00 O ATOM 787 CB LYS A 50 -16.105 -10.685 -8.753 1.00 0.00 C ATOM 788 CG LYS A 50 -15.604 -11.651 -9.827 1.00 0.00 C ATOM 789 CD LYS A 50 -14.488 -10.983 -10.634 1.00 0.00 C ATOM 790 CE LYS A 50 -14.287 -11.738 -11.950 1.00 0.00 C ATOM 791 NZ LYS A 50 -12.813 -11.922 -12.064 1.00 0.00 N ATOM 0 H LYS A 50 -16.196 -9.098 -6.638 1.00 0.00 H new ATOM 0 HA LYS A 50 -14.757 -11.667 -7.359 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -17.088 -10.995 -8.397 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -16.218 -9.685 -9.171 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -15.235 -12.566 -9.364 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.424 -11.935 -10.486 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.743 -9.942 -10.835 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.562 -10.979 -10.060 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.805 -12.697 -11.939 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.681 -11.172 -12.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.536 -11.893 -13.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.327 -11.161 -11.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.545 -12.841 -11.657 1.00 0.00 H new ATOM 805 N VAL A 51 -12.717 -10.276 -7.616 1.00 0.00 N ATOM 806 CA VAL A 51 -11.496 -9.484 -7.932 1.00 0.00 C ATOM 807 C VAL A 51 -11.128 -9.648 -9.406 1.00 0.00 C ATOM 808 O VAL A 51 -10.862 -10.737 -9.873 1.00 0.00 O ATOM 809 CB VAL A 51 -10.404 -10.071 -7.043 1.00 0.00 C ATOM 810 CG1 VAL A 51 -9.073 -9.382 -7.348 1.00 0.00 C ATOM 811 CG2 VAL A 51 -10.770 -9.849 -5.574 1.00 0.00 C ATOM 0 H VAL A 51 -12.551 -11.161 -7.137 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.638 -8.418 -7.755 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.312 -11.140 -7.237 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.292 -9.801 -6.713 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.813 -9.540 -8.395 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.164 -8.313 -7.154 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.991 -10.268 -4.938 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.862 -8.780 -5.379 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.719 -10.340 -5.357 1.00 0.00 H new ATOM 821 N VAL A 52 -11.106 -8.572 -10.142 1.00 0.00 N ATOM 822 CA VAL A 52 -10.751 -8.669 -11.583 1.00 0.00 C ATOM 823 C VAL A 52 -9.340 -8.123 -11.816 1.00 0.00 C ATOM 824 O VAL A 52 -8.814 -8.180 -12.910 1.00 0.00 O ATOM 825 CB VAL A 52 -11.799 -7.825 -12.311 1.00 0.00 C ATOM 826 CG1 VAL A 52 -11.602 -6.345 -11.999 1.00 0.00 C ATOM 827 CG2 VAL A 52 -11.652 -8.028 -13.811 1.00 0.00 C ATOM 0 H VAL A 52 -11.318 -7.632 -9.808 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.749 -9.698 -11.943 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.790 -8.135 -11.978 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.356 -5.759 -12.525 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.700 -6.183 -10.926 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.609 -6.034 -12.323 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.397 -7.428 -14.334 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -10.654 -7.721 -14.124 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.799 -9.081 -14.052 1.00 0.00 H new ATOM 837 N LYS A 53 -8.720 -7.604 -10.791 1.00 0.00 N ATOM 838 CA LYS A 53 -7.339 -7.063 -10.944 1.00 0.00 C ATOM 839 C LYS A 53 -6.857 -6.477 -9.609 1.00 0.00 C ATOM 840 O LYS A 53 -7.635 -5.957 -8.834 1.00 0.00 O ATOM 841 CB LYS A 53 -7.453 -5.987 -12.045 1.00 0.00 C ATOM 842 CG LYS A 53 -7.520 -4.576 -11.444 1.00 0.00 C ATOM 843 CD LYS A 53 -6.121 -3.959 -11.435 1.00 0.00 C ATOM 844 CE LYS A 53 -6.143 -2.630 -12.195 1.00 0.00 C ATOM 845 NZ LYS A 53 -4.902 -2.638 -13.017 1.00 0.00 N ATOM 0 H LYS A 53 -9.111 -7.531 -9.852 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.609 -7.824 -11.219 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.597 -6.058 -12.716 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.344 -6.171 -12.645 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.200 -3.953 -12.025 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.916 -4.620 -10.430 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.790 -3.798 -10.409 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.408 -4.642 -11.897 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.031 -2.548 -12.821 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.157 -1.783 -11.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.919 -1.836 -13.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.073 -2.557 -12.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.846 -3.527 -13.553 1.00 0.00 H new ATOM 859 N VAL A 54 -5.585 -6.547 -9.337 1.00 0.00 N ATOM 860 CA VAL A 54 -5.072 -5.981 -8.060 1.00 0.00 C ATOM 861 C VAL A 54 -3.834 -5.125 -8.331 1.00 0.00 C ATOM 862 O VAL A 54 -2.913 -5.542 -9.001 1.00 0.00 O ATOM 863 CB VAL A 54 -4.740 -7.201 -7.176 1.00 0.00 C ATOM 864 CG1 VAL A 54 -3.337 -7.076 -6.564 1.00 0.00 C ATOM 865 CG2 VAL A 54 -5.759 -7.283 -6.039 1.00 0.00 C ATOM 0 H VAL A 54 -4.881 -6.970 -9.941 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.795 -5.331 -7.568 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.775 -8.095 -7.798 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.130 -7.950 -5.946 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.597 -7.012 -7.361 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.287 -6.177 -5.950 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.532 -8.143 -5.409 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.712 -6.372 -5.442 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.760 -7.392 -6.455 1.00 0.00 H new ATOM 875 N ASN A 55 -3.801 -3.939 -7.797 1.00 0.00 N ATOM 876 CA ASN A 55 -2.616 -3.071 -8.000 1.00 0.00 C ATOM 877 C ASN A 55 -2.173 -2.506 -6.658 1.00 0.00 C ATOM 878 O ASN A 55 -2.891 -1.768 -6.016 1.00 0.00 O ATOM 879 CB ASN A 55 -3.078 -1.958 -8.940 1.00 0.00 C ATOM 880 CG ASN A 55 -2.486 -2.188 -10.332 1.00 0.00 C ATOM 881 OD1 ASN A 55 -3.205 -2.456 -11.275 1.00 0.00 O ATOM 882 ND2 ASN A 55 -1.195 -2.097 -10.502 1.00 0.00 N ATOM 0 H ASN A 55 -4.545 -3.534 -7.228 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.768 -3.609 -8.423 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.167 -1.942 -8.994 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.763 -0.988 -8.555 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.790 -2.251 -11.426 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.591 -1.872 -9.711 1.00 0.00 H new ATOM 889 N THR A 56 -1.000 -2.857 -6.222 1.00 0.00 N ATOM 890 CA THR A 56 -0.524 -2.350 -4.907 1.00 0.00 C ATOM 891 C THR A 56 0.675 -1.419 -5.097 1.00 0.00 C ATOM 892 O THR A 56 1.274 -1.366 -6.153 1.00 0.00 O ATOM 893 CB THR A 56 -0.126 -3.590 -4.072 1.00 0.00 C ATOM 894 OG1 THR A 56 1.254 -3.513 -3.747 1.00 0.00 O ATOM 895 CG2 THR A 56 -0.389 -4.892 -4.841 1.00 0.00 C ATOM 0 H THR A 56 -0.351 -3.470 -6.715 1.00 0.00 H new ATOM 0 HA THR A 56 -1.301 -1.775 -4.402 1.00 0.00 H new ATOM 0 HB THR A 56 -0.732 -3.598 -3.166 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.766 -4.085 -4.357 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.098 -5.743 -4.225 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.449 -4.964 -5.082 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.194 -4.895 -5.762 1.00 0.00 H new ATOM 903 N LEU A 57 1.028 -0.686 -4.077 1.00 0.00 N ATOM 904 CA LEU A 57 2.187 0.245 -4.186 1.00 0.00 C ATOM 905 C LEU A 57 2.957 0.272 -2.866 1.00 0.00 C ATOM 906 O LEU A 57 2.592 -0.383 -1.912 1.00 0.00 O ATOM 907 CB LEU A 57 1.590 1.631 -4.458 1.00 0.00 C ATOM 908 CG LEU A 57 0.385 1.527 -5.395 1.00 0.00 C ATOM 909 CD1 LEU A 57 -0.379 2.852 -5.373 1.00 0.00 C ATOM 910 CD2 LEU A 57 0.869 1.241 -6.818 1.00 0.00 C ATOM 0 H LEU A 57 0.562 -0.692 -3.170 1.00 0.00 H new ATOM 0 HA LEU A 57 2.875 -0.063 -4.974 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.287 2.093 -3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.347 2.278 -4.902 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.269 0.719 -5.067 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.240 2.787 -6.038 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.719 3.059 -4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.277 3.656 -5.706 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.011 1.167 -7.486 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.519 2.050 -7.151 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.422 0.302 -6.832 1.00 0.00 H new ATOM 922 N HIS A 58 4.009 1.040 -2.799 1.00 0.00 N ATOM 923 CA HIS A 58 4.786 1.124 -1.532 1.00 0.00 C ATOM 924 C HIS A 58 4.470 2.443 -0.830 1.00 0.00 C ATOM 925 O HIS A 58 4.959 3.492 -1.204 1.00 0.00 O ATOM 926 CB HIS A 58 6.254 1.071 -1.954 1.00 0.00 C ATOM 927 CG HIS A 58 7.015 0.181 -1.011 1.00 0.00 C ATOM 928 ND1 HIS A 58 8.345 -0.151 -1.216 1.00 0.00 N ATOM 929 CD2 HIS A 58 6.645 -0.456 0.149 1.00 0.00 C ATOM 930 CE1 HIS A 58 8.725 -0.952 -0.205 1.00 0.00 C ATOM 931 NE2 HIS A 58 7.727 -1.171 0.657 1.00 0.00 N ATOM 0 H HIS A 58 4.363 1.612 -3.566 1.00 0.00 H new ATOM 0 HA HIS A 58 4.545 0.320 -0.837 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.337 0.694 -2.973 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.681 2.074 -1.949 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.664 -0.409 0.599 1.00 0.00 H new ATOM 0 HE1 HIS A 58 9.716 -1.368 -0.102 1.00 0.00 H new ATOM 0 HE2 HIS A 58 7.752 -1.739 1.504 1.00 0.00 H new ATOM 939 N VAL A 59 3.648 2.402 0.181 1.00 0.00 N ATOM 940 CA VAL A 59 3.291 3.659 0.903 1.00 0.00 C ATOM 941 C VAL A 59 3.904 3.652 2.306 1.00 0.00 C ATOM 942 O VAL A 59 3.839 2.670 3.017 1.00 0.00 O ATOM 943 CB VAL A 59 1.752 3.703 0.997 1.00 0.00 C ATOM 944 CG1 VAL A 59 1.232 4.882 0.174 1.00 0.00 C ATOM 945 CG2 VAL A 59 1.118 2.408 0.468 1.00 0.00 C ATOM 0 H VAL A 59 3.208 1.555 0.540 1.00 0.00 H new ATOM 0 HA VAL A 59 3.674 4.533 0.376 1.00 0.00 H new ATOM 0 HB VAL A 59 1.480 3.815 2.046 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.144 4.918 0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.649 5.810 0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.531 4.759 -0.867 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.033 2.474 0.550 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.395 2.267 -0.577 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.475 1.562 1.055 1.00 0.00 H new ATOM 1245 N ARG A 76 5.548 0.096 4.087 1.00 0.00 N ATOM 1246 CA ARG A 76 4.183 -0.491 3.945 1.00 0.00 C ATOM 1247 C ARG A 76 3.682 -0.342 2.508 1.00 0.00 C ATOM 1248 O ARG A 76 3.923 0.652 1.854 1.00 0.00 O ATOM 1249 CB ARG A 76 3.306 0.313 4.905 1.00 0.00 C ATOM 1250 CG ARG A 76 1.830 0.032 4.608 1.00 0.00 C ATOM 1251 CD ARG A 76 1.595 -1.480 4.555 1.00 0.00 C ATOM 1252 NE ARG A 76 0.535 -1.738 5.570 1.00 0.00 N ATOM 1253 CZ ARG A 76 0.838 -2.319 6.698 1.00 0.00 C ATOM 1254 NH1 ARG A 76 1.555 -1.686 7.586 1.00 0.00 N ATOM 1255 NH2 ARG A 76 0.424 -3.533 6.939 1.00 0.00 N ATOM 0 HA ARG A 76 4.169 -1.557 4.172 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.537 0.046 5.936 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.513 1.378 4.798 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.202 0.481 5.378 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.546 0.488 3.659 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.276 -1.796 3.562 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.507 -2.030 4.787 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.428 -1.460 5.383 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.878 -0.737 7.398 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.792 -2.140 8.468 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.137 -4.028 6.245 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.661 -3.987 7.821 1.00 0.00 H new ATOM 1269 N LYS A 77 2.980 -1.323 2.013 1.00 0.00 N ATOM 1270 CA LYS A 77 2.456 -1.239 0.621 1.00 0.00 C ATOM 1271 C LYS A 77 0.933 -1.405 0.624 1.00 0.00 C ATOM 1272 O LYS A 77 0.388 -2.196 1.367 1.00 0.00 O ATOM 1273 CB LYS A 77 3.125 -2.392 -0.129 1.00 0.00 C ATOM 1274 CG LYS A 77 2.619 -3.726 0.423 1.00 0.00 C ATOM 1275 CD LYS A 77 3.067 -4.861 -0.499 1.00 0.00 C ATOM 1276 CE LYS A 77 2.222 -4.849 -1.774 1.00 0.00 C ATOM 1277 NZ LYS A 77 1.931 -6.282 -2.056 1.00 0.00 N ATOM 0 H LYS A 77 2.746 -2.181 2.513 1.00 0.00 H new ATOM 0 HA LYS A 77 2.671 -0.278 0.154 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.906 -2.321 -1.194 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.208 -2.330 -0.021 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.006 -3.886 1.429 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.532 -3.712 0.498 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.122 -4.746 -0.748 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.963 -5.819 0.010 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.303 -4.280 -1.633 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.761 -4.385 -2.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.664 -6.392 -3.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.777 -6.853 -1.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.148 -6.603 -1.451 1.00 0.00 H new ATOM 1291 N LYS A 78 0.242 -0.664 -0.199 1.00 0.00 N ATOM 1292 CA LYS A 78 -1.245 -0.784 -0.234 1.00 0.00 C ATOM 1293 C LYS A 78 -1.677 -1.624 -1.439 1.00 0.00 C ATOM 1294 O LYS A 78 -0.997 -1.662 -2.440 1.00 0.00 O ATOM 1295 CB LYS A 78 -1.760 0.649 -0.362 1.00 0.00 C ATOM 1296 CG LYS A 78 -1.324 1.233 -1.708 1.00 0.00 C ATOM 1297 CD LYS A 78 -2.006 2.586 -1.920 1.00 0.00 C ATOM 1298 CE LYS A 78 -0.961 3.700 -1.835 1.00 0.00 C ATOM 1299 NZ LYS A 78 -1.748 4.965 -1.806 1.00 0.00 N ATOM 0 H LYS A 78 0.640 0.017 -0.846 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.641 -1.276 0.654 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.847 0.664 -0.283 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.372 1.260 0.453 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.241 1.352 -1.732 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.587 0.550 -2.516 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.500 2.609 -2.892 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.778 2.738 -1.166 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.346 3.597 -0.941 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.286 3.674 -2.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.100 5.776 -1.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.318 5.039 -2.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.376 4.964 -0.977 1.00 0.00 H new ATOM 1313 N ALA A 79 -2.791 -2.309 -1.348 1.00 0.00 N ATOM 1314 CA ALA A 79 -3.246 -3.156 -2.497 1.00 0.00 C ATOM 1315 C ALA A 79 -4.557 -2.661 -3.095 1.00 0.00 C ATOM 1316 O ALA A 79 -5.577 -2.639 -2.438 1.00 0.00 O ATOM 1317 CB ALA A 79 -3.481 -4.534 -1.917 1.00 0.00 C ATOM 0 H ALA A 79 -3.403 -2.319 -0.532 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.500 -3.135 -3.291 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.817 -5.208 -2.705 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.553 -4.911 -1.488 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.243 -4.476 -1.140 1.00 0.00 H new ATOM 1323 N ILE A 80 -4.546 -2.311 -4.350 1.00 0.00 N ATOM 1324 CA ILE A 80 -5.801 -1.857 -5.005 1.00 0.00 C ATOM 1325 C ILE A 80 -6.425 -3.014 -5.786 1.00 0.00 C ATOM 1326 O ILE A 80 -5.901 -3.448 -6.787 1.00 0.00 O ATOM 1327 CB ILE A 80 -5.371 -0.747 -5.956 1.00 0.00 C ATOM 1328 CG1 ILE A 80 -4.557 0.289 -5.185 1.00 0.00 C ATOM 1329 CG2 ILE A 80 -6.609 -0.080 -6.556 1.00 0.00 C ATOM 1330 CD1 ILE A 80 -4.342 1.509 -6.074 1.00 0.00 C ATOM 0 H ILE A 80 -3.721 -2.320 -4.950 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.544 -1.512 -4.286 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.763 -1.167 -6.757 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.079 0.575 -4.272 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.598 -0.133 -4.885 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.301 0.714 -7.236 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.192 -0.821 -7.103 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.218 0.343 -5.757 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.761 2.256 -5.533 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.803 1.213 -6.974 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.308 1.932 -6.352 1.00 0.00 H new ATOM 1342 N VAL A 81 -7.538 -3.519 -5.342 1.00 0.00 N ATOM 1343 CA VAL A 81 -8.174 -4.651 -6.072 1.00 0.00 C ATOM 1344 C VAL A 81 -9.371 -4.153 -6.881 1.00 0.00 C ATOM 1345 O VAL A 81 -10.206 -3.424 -6.381 1.00 0.00 O ATOM 1346 CB VAL A 81 -8.627 -5.616 -4.978 1.00 0.00 C ATOM 1347 CG1 VAL A 81 -9.248 -6.858 -5.618 1.00 0.00 C ATOM 1348 CG2 VAL A 81 -7.418 -6.027 -4.135 1.00 0.00 C ATOM 0 H VAL A 81 -8.035 -3.201 -4.510 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.493 -5.125 -6.778 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.367 -5.128 -4.343 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.571 -7.547 -4.837 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.107 -6.565 -6.222 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.509 -7.349 -6.252 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.737 -6.716 -3.353 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.680 -6.517 -4.771 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.974 -5.142 -3.680 1.00 0.00 H new ATOM 1358 N GLN A 82 -9.475 -4.545 -8.123 1.00 0.00 N ATOM 1359 CA GLN A 82 -10.628 -4.096 -8.938 1.00 0.00 C ATOM 1360 C GLN A 82 -11.628 -5.224 -9.042 1.00 0.00 C ATOM 1361 O GLN A 82 -11.272 -6.385 -8.987 1.00 0.00 O ATOM 1362 CB GLN A 82 -10.059 -3.798 -10.320 1.00 0.00 C ATOM 1363 CG GLN A 82 -11.059 -2.968 -11.120 1.00 0.00 C ATOM 1364 CD GLN A 82 -10.501 -1.563 -11.342 1.00 0.00 C ATOM 1365 OE1 GLN A 82 -9.307 -1.354 -11.277 1.00 0.00 O ATOM 1366 NE2 GLN A 82 -11.322 -0.584 -11.608 1.00 0.00 N ATOM 0 H GLN A 82 -8.812 -5.154 -8.602 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.126 -3.228 -8.505 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.116 -3.259 -10.227 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.843 -4.729 -10.844 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -11.258 -3.446 -12.079 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -12.009 -2.913 -10.588 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -12.325 -0.760 -11.663 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -10.960 0.357 -11.761 1.00 0.00 H new ATOM 1375 N VAL A 83 -12.866 -4.916 -9.228 1.00 0.00 N ATOM 1376 CA VAL A 83 -13.843 -6.007 -9.377 1.00 0.00 C ATOM 1377 C VAL A 83 -14.529 -5.877 -10.724 1.00 0.00 C ATOM 1378 O VAL A 83 -14.590 -4.813 -11.307 1.00 0.00 O ATOM 1379 CB VAL A 83 -14.848 -5.876 -8.238 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -14.122 -5.503 -6.945 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -15.875 -4.799 -8.582 1.00 0.00 C ATOM 0 H VAL A 83 -13.241 -3.969 -9.283 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.363 -6.985 -9.335 1.00 0.00 H new ATOM 0 HB VAL A 83 -15.358 -6.829 -8.098 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.846 -5.411 -6.135 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.397 -6.279 -6.698 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.605 -4.553 -7.079 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.593 -4.707 -7.767 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.367 -3.846 -8.728 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.399 -5.075 -9.497 1.00 0.00 H new ATOM 1391 N ALA A 84 -15.038 -6.948 -11.222 1.00 0.00 N ATOM 1392 CA ALA A 84 -15.715 -6.891 -12.535 1.00 0.00 C ATOM 1393 C ALA A 84 -16.941 -5.984 -12.457 1.00 0.00 C ATOM 1394 O ALA A 84 -17.266 -5.460 -11.409 1.00 0.00 O ATOM 1395 CB ALA A 84 -16.123 -8.326 -12.805 1.00 0.00 C ATOM 0 H ALA A 84 -15.018 -7.867 -10.779 1.00 0.00 H new ATOM 0 HA ALA A 84 -15.080 -6.486 -13.323 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -16.636 -8.384 -13.765 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -15.235 -8.958 -12.830 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -16.791 -8.669 -12.015 1.00 0.00 H new ATOM 1401 N PRO A 85 -17.579 -5.833 -13.578 1.00 0.00 N ATOM 1402 CA PRO A 85 -18.787 -4.984 -13.661 1.00 0.00 C ATOM 1403 C PRO A 85 -19.978 -5.690 -13.009 1.00 0.00 C ATOM 1404 O PRO A 85 -20.172 -6.879 -13.168 1.00 0.00 O ATOM 1405 CB PRO A 85 -19.003 -4.814 -15.160 1.00 0.00 C ATOM 1406 CG PRO A 85 -18.341 -5.990 -15.787 1.00 0.00 C ATOM 1407 CD PRO A 85 -17.234 -6.436 -14.864 1.00 0.00 C ATOM 0 HA PRO A 85 -18.681 -4.031 -13.144 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -20.065 -4.784 -15.404 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -18.568 -3.881 -15.517 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -19.058 -6.796 -15.942 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -17.941 -5.727 -16.766 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -17.186 -7.523 -14.795 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -16.260 -6.096 -15.216 1.00 0.00 H new ATOM 1415 N GLY A 86 -20.773 -4.964 -12.277 1.00 0.00 N ATOM 1416 CA GLY A 86 -21.952 -5.588 -11.611 1.00 0.00 C ATOM 1417 C GLY A 86 -21.678 -5.739 -10.112 1.00 0.00 C ATOM 1418 O GLY A 86 -22.582 -5.693 -9.300 1.00 0.00 O ATOM 0 H GLY A 86 -20.659 -3.964 -12.110 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -22.838 -4.973 -11.768 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -22.158 -6.563 -12.053 1.00 0.00 H new ATOM 1422 N GLN A 87 -20.441 -5.920 -9.735 1.00 0.00 N ATOM 1423 CA GLN A 87 -20.119 -6.074 -8.285 1.00 0.00 C ATOM 1424 C GLN A 87 -19.370 -4.845 -7.768 1.00 0.00 C ATOM 1425 O GLN A 87 -19.052 -3.938 -8.511 1.00 0.00 O ATOM 1426 CB GLN A 87 -19.226 -7.312 -8.198 1.00 0.00 C ATOM 1427 CG GLN A 87 -18.133 -7.232 -9.264 1.00 0.00 C ATOM 1428 CD GLN A 87 -18.504 -8.130 -10.447 1.00 0.00 C ATOM 1429 OE1 GLN A 87 -18.678 -7.657 -11.552 1.00 0.00 O ATOM 1430 NE2 GLN A 87 -18.635 -9.415 -10.258 1.00 0.00 N ATOM 0 H GLN A 87 -19.641 -5.968 -10.366 1.00 0.00 H new ATOM 0 HA GLN A 87 -21.020 -6.176 -7.680 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -18.777 -7.380 -7.207 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -19.822 -8.213 -8.341 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -18.013 -6.202 -9.600 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -17.177 -7.544 -8.843 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -18.489 -9.811 -9.330 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -18.884 -10.023 -11.039 1.00 0.00 H new ATOM 1439 N LYS A 88 -19.089 -4.812 -6.495 1.00 0.00 N ATOM 1440 CA LYS A 88 -18.359 -3.645 -5.919 1.00 0.00 C ATOM 1441 C LYS A 88 -18.160 -3.837 -4.412 1.00 0.00 C ATOM 1442 O LYS A 88 -19.080 -3.683 -3.633 1.00 0.00 O ATOM 1443 CB LYS A 88 -19.258 -2.440 -6.194 1.00 0.00 C ATOM 1444 CG LYS A 88 -20.706 -2.792 -5.849 1.00 0.00 C ATOM 1445 CD LYS A 88 -21.553 -1.519 -5.841 1.00 0.00 C ATOM 1446 CE LYS A 88 -22.963 -1.841 -6.340 1.00 0.00 C ATOM 1447 NZ LYS A 88 -23.827 -0.772 -5.764 1.00 0.00 N ATOM 0 H LYS A 88 -19.333 -5.543 -5.827 1.00 0.00 H new ATOM 0 HA LYS A 88 -17.368 -3.521 -6.356 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -18.930 -1.586 -5.602 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -19.183 -2.149 -7.242 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -21.102 -3.500 -6.576 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -20.751 -3.277 -4.874 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -21.598 -1.106 -4.833 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -21.095 -0.761 -6.476 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -23.006 -1.840 -7.429 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -23.283 -2.829 -6.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -24.812 -0.924 -6.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -23.770 -0.802 -4.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -23.502 0.156 -6.102 1.00 0.00 H new ATOM 1461 N ILE A 89 -16.969 -4.172 -3.995 1.00 0.00 N ATOM 1462 CA ILE A 89 -16.717 -4.372 -2.539 1.00 0.00 C ATOM 1463 C ILE A 89 -17.405 -3.270 -1.728 1.00 0.00 C ATOM 1464 O ILE A 89 -16.920 -2.161 -1.626 1.00 0.00 O ATOM 1465 CB ILE A 89 -15.196 -4.298 -2.384 1.00 0.00 C ATOM 1466 CG1 ILE A 89 -14.554 -5.442 -3.176 1.00 0.00 C ATOM 1467 CG2 ILE A 89 -14.828 -4.425 -0.904 1.00 0.00 C ATOM 1468 CD1 ILE A 89 -13.090 -5.611 -2.757 1.00 0.00 C ATOM 0 H ILE A 89 -16.160 -4.316 -4.599 1.00 0.00 H new ATOM 0 HA ILE A 89 -17.112 -5.321 -2.175 1.00 0.00 H new ATOM 0 HB ILE A 89 -14.832 -3.343 -2.764 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -15.101 -6.369 -3.000 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -14.614 -5.234 -4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.745 -4.372 -0.793 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -15.290 -3.613 -0.343 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -15.186 -5.380 -0.521 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -12.641 -6.426 -3.324 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -12.546 -4.688 -2.956 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -13.040 -5.840 -1.692 1.00 0.00 H new ATOM 1480 N GLU A 90 -18.540 -3.571 -1.159 1.00 0.00 N ATOM 1481 CA GLU A 90 -19.282 -2.553 -0.358 1.00 0.00 C ATOM 1482 C GLU A 90 -18.466 -2.114 0.863 1.00 0.00 C ATOM 1483 O GLU A 90 -18.779 -1.133 1.507 1.00 0.00 O ATOM 1484 CB GLU A 90 -20.565 -3.258 0.082 1.00 0.00 C ATOM 1485 CG GLU A 90 -21.352 -3.705 -1.152 1.00 0.00 C ATOM 1486 CD GLU A 90 -22.600 -2.833 -1.305 1.00 0.00 C ATOM 1487 OE1 GLU A 90 -23.157 -2.448 -0.290 1.00 0.00 O ATOM 1488 OE2 GLU A 90 -22.976 -2.564 -2.433 1.00 0.00 O ATOM 0 H GLU A 90 -18.989 -4.485 -1.214 1.00 0.00 H new ATOM 0 HA GLU A 90 -19.482 -1.650 -0.935 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -20.324 -4.120 0.704 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -21.172 -2.586 0.689 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -20.728 -3.626 -2.043 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -21.637 -4.753 -1.055 1.00 0.00 H new ATOM 1495 N ALA A 91 -17.431 -2.835 1.194 1.00 0.00 N ATOM 1496 CA ALA A 91 -16.614 -2.453 2.384 1.00 0.00 C ATOM 1497 C ALA A 91 -16.138 -1.002 2.262 1.00 0.00 C ATOM 1498 O ALA A 91 -16.002 -0.300 3.244 1.00 0.00 O ATOM 1499 CB ALA A 91 -15.421 -3.409 2.370 1.00 0.00 C ATOM 0 H ALA A 91 -17.115 -3.668 0.697 1.00 0.00 H new ATOM 0 HA ALA A 91 -17.183 -2.522 3.311 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -14.771 -3.192 3.217 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -15.777 -4.437 2.441 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -14.863 -3.281 1.442 1.00 0.00 H new ATOM 1505 N LEU A 92 -15.888 -0.545 1.066 1.00 0.00 N ATOM 1506 CA LEU A 92 -15.426 0.867 0.887 1.00 0.00 C ATOM 1507 C LEU A 92 -16.563 1.709 0.315 1.00 0.00 C ATOM 1508 O LEU A 92 -16.589 2.916 0.449 1.00 0.00 O ATOM 1509 CB LEU A 92 -14.260 0.818 -0.111 1.00 0.00 C ATOM 1510 CG LEU A 92 -13.596 -0.559 -0.093 1.00 0.00 C ATOM 1511 CD1 LEU A 92 -12.324 -0.528 -0.941 1.00 0.00 C ATOM 1512 CD2 LEU A 92 -13.241 -0.930 1.348 1.00 0.00 C ATOM 0 H LEU A 92 -15.982 -1.084 0.205 1.00 0.00 H new ATOM 0 HA LEU A 92 -15.118 1.310 1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.623 1.040 -1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.527 1.585 0.139 1.00 0.00 H new ATOM 0 HG LEU A 92 -14.283 -1.299 -0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -11.853 -1.511 -0.926 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -12.577 -0.262 -1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.634 0.211 -0.535 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -12.767 -1.912 1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -12.554 -0.188 1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -14.148 -0.955 1.951 1.00 0.00 H new ATOM 1524 N GLU A 93 -17.500 1.078 -0.335 1.00 0.00 N ATOM 1525 CA GLU A 93 -18.632 1.835 -0.932 1.00 0.00 C ATOM 1526 C GLU A 93 -19.218 2.815 0.090 1.00 0.00 C ATOM 1527 O GLU A 93 -19.261 4.008 -0.134 1.00 0.00 O ATOM 1528 CB GLU A 93 -19.665 0.773 -1.309 1.00 0.00 C ATOM 1529 CG GLU A 93 -19.182 0.006 -2.542 1.00 0.00 C ATOM 1530 CD GLU A 93 -19.258 0.914 -3.770 1.00 0.00 C ATOM 1531 OE1 GLU A 93 -20.238 1.630 -3.894 1.00 0.00 O ATOM 1532 OE2 GLU A 93 -18.335 0.878 -4.567 1.00 0.00 O ATOM 0 H GLU A 93 -17.530 0.069 -0.478 1.00 0.00 H new ATOM 0 HA GLU A 93 -18.321 2.426 -1.793 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -19.816 0.086 -0.476 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -20.627 1.243 -1.514 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -18.158 -0.336 -2.392 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.796 -0.882 -2.695 1.00 0.00 H new ATOM 1539 N GLY A 94 -19.676 2.318 1.207 1.00 0.00 N ATOM 1540 CA GLY A 94 -20.266 3.220 2.239 1.00 0.00 C ATOM 1541 C GLY A 94 -19.151 3.954 2.987 1.00 0.00 C ATOM 1542 O GLY A 94 -19.308 5.087 3.394 1.00 0.00 O ATOM 0 H GLY A 94 -19.667 1.327 1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -20.934 3.940 1.766 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -20.866 2.641 2.940 1.00 0.00 H new ATOM 1546 N LEU A 95 -18.026 3.315 3.174 1.00 0.00 N ATOM 1547 CA LEU A 95 -16.902 3.977 3.900 1.00 0.00 C ATOM 1548 C LEU A 95 -16.769 5.437 3.457 1.00 0.00 C ATOM 1549 O LEU A 95 -16.305 6.282 4.197 1.00 0.00 O ATOM 1550 CB LEU A 95 -15.656 3.183 3.507 1.00 0.00 C ATOM 1551 CG LEU A 95 -14.691 3.125 4.692 1.00 0.00 C ATOM 1552 CD1 LEU A 95 -15.409 2.535 5.907 1.00 0.00 C ATOM 1553 CD2 LEU A 95 -13.495 2.242 4.329 1.00 0.00 C ATOM 0 H LEU A 95 -17.837 2.364 2.856 1.00 0.00 H new ATOM 0 HA LEU A 95 -17.058 3.987 4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -15.936 2.174 3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -15.169 3.650 2.651 1.00 0.00 H new ATOM 0 HG LEU A 95 -14.344 4.131 4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -14.721 2.494 6.752 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -16.263 3.162 6.165 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -15.755 1.529 5.672 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -12.805 2.199 5.172 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -13.843 1.236 4.093 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -12.983 2.661 3.463 1.00 0.00 H new ATOM 1565 N ILE A 96 -17.174 5.741 2.253 1.00 0.00 N ATOM 1566 CA ILE A 96 -17.072 7.146 1.764 1.00 0.00 C ATOM 1567 C ILE A 96 -17.695 8.107 2.779 1.00 0.00 C ATOM 1568 O ILE A 96 -17.152 9.187 2.954 1.00 0.00 O ATOM 1569 CB ILE A 96 -17.858 7.166 0.454 1.00 0.00 C ATOM 1570 CG1 ILE A 96 -17.095 6.372 -0.609 1.00 0.00 C ATOM 1571 CG2 ILE A 96 -18.031 8.610 -0.018 1.00 0.00 C ATOM 1572 CD1 ILE A 96 -17.877 6.395 -1.924 1.00 0.00 C ATOM 1573 OXT ILE A 96 -18.704 7.750 3.364 1.00 0.00 O ATOM 0 H ILE A 96 -17.571 5.078 1.588 1.00 0.00 H new ATOM 0 HA ILE A 96 -16.038 7.461 1.624 1.00 0.00 H new ATOM 0 HB ILE A 96 -18.838 6.717 0.613 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -16.104 6.800 -0.756 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -16.952 5.344 -0.277 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -18.592 8.623 -0.953 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -18.573 9.178 0.738 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -17.051 9.061 -0.177 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -17.333 5.829 -2.681 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -18.859 5.946 -1.771 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -17.997 7.426 -2.258 1.00 0.00 H new