USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 501 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 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -2.53 K(o=-2.5,f=-0.77) USER MOD Single : A 20 THR OG1 : rot -33:sc= -2.85! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -172:sc= -0.342 (180deg=-0.456) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 112:sc= -6.69! USER MOD Single : A 44 MET CE :methyl 158:sc= 0 (180deg=-0.374) USER MOD Single : A 50 GLN : amide:sc= -1.62! K(o=-1.6!,f=-0.69) USER MOD Single : A 51 THR OG1 : rot 150:sc= -0.112 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 150:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 89:sc= -0.983 USER MOD Single : A 78 GLN : amide:sc= -0.426 X(o=-0.43,f=-0.0002) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 4 -8.939 2.231 -8.426 1.00 0.00 N ATOM 44 CA THR A 4 -9.724 2.401 -7.215 1.00 0.00 C ATOM 45 C THR A 4 -9.118 1.591 -6.068 1.00 0.00 C ATOM 46 O THR A 4 -8.286 0.713 -6.295 1.00 0.00 O ATOM 47 CB THR A 4 -11.171 2.016 -7.532 1.00 0.00 C ATOM 48 OG1 THR A 4 -11.934 3.128 -7.071 1.00 0.00 O ATOM 49 CG2 THR A 4 -11.665 0.845 -6.680 1.00 0.00 C ATOM 0 HA THR A 4 -9.714 3.438 -6.880 1.00 0.00 H new ATOM 0 HB THR A 4 -11.256 1.757 -8.587 1.00 0.00 H new ATOM 0 HG1 THR A 4 -12.885 2.964 -7.239 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.696 0.612 -6.944 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.038 -0.028 -6.862 1.00 0.00 H new ATOM 0 HG23 THR A 4 -11.613 1.115 -5.625 1.00 0.00 H new ATOM 57 N GLN A 5 -9.557 1.914 -4.860 1.00 0.00 N ATOM 58 CA GLN A 5 -9.067 1.227 -3.677 1.00 0.00 C ATOM 59 C GLN A 5 -8.991 -0.280 -3.932 1.00 0.00 C ATOM 60 O GLN A 5 -7.903 -0.833 -4.088 1.00 0.00 O ATOM 61 CB GLN A 5 -9.945 1.534 -2.462 1.00 0.00 C ATOM 62 CG GLN A 5 -9.318 0.985 -1.179 1.00 0.00 C ATOM 63 CD GLN A 5 -8.253 1.941 -0.637 1.00 0.00 C ATOM 64 OE1 GLN A 5 -8.482 2.707 0.283 1.00 0.00 O ATOM 65 NE2 GLN A 5 -7.080 1.851 -1.258 1.00 0.00 N ATOM 0 H GLN A 5 -10.247 2.642 -4.675 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.063 1.590 -3.459 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.083 2.611 -2.371 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -10.934 1.097 -2.604 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.093 0.834 -0.427 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -8.871 0.011 -1.376 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -6.957 1.187 -2.022 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.303 2.446 -0.970 1.00 0.00 H new ATOM 72 N GLU A 6 -10.160 -0.902 -3.967 1.00 0.00 N ATOM 73 CA GLU A 6 -10.239 -2.334 -4.200 1.00 0.00 C ATOM 74 C GLU A 6 -9.390 -2.723 -5.411 1.00 0.00 C ATOM 75 O GLU A 6 -8.988 -3.877 -5.547 1.00 0.00 O ATOM 76 CB GLU A 6 -11.691 -2.780 -4.382 1.00 0.00 C ATOM 77 CG GLU A 6 -12.200 -3.515 -3.141 1.00 0.00 C ATOM 78 CD GLU A 6 -13.595 -3.024 -2.746 1.00 0.00 C ATOM 79 OE1 GLU A 6 -13.804 -1.811 -2.590 1.00 0.00 O ATOM 80 OE2 GLU A 6 -14.479 -3.951 -2.603 1.00 0.00 O ATOM 0 H GLU A 6 -11.060 -0.441 -3.838 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.843 -2.847 -3.324 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.320 -1.911 -4.578 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.768 -3.432 -5.252 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.230 -4.587 -3.336 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.508 -3.360 -2.313 1.00 0.00 H new ATOM 86 N GLU A 7 -9.139 -1.735 -6.259 1.00 0.00 N ATOM 87 CA GLU A 7 -8.345 -1.960 -7.454 1.00 0.00 C ATOM 88 C GLU A 7 -6.863 -2.087 -7.090 1.00 0.00 C ATOM 89 O GLU A 7 -6.163 -2.948 -7.621 1.00 0.00 O ATOM 90 CB GLU A 7 -8.564 -0.843 -8.476 1.00 0.00 C ATOM 91 CG GLU A 7 -9.134 -1.399 -9.782 1.00 0.00 C ATOM 92 CD GLU A 7 -8.366 -2.643 -10.230 1.00 0.00 C ATOM 93 OE1 GLU A 7 -8.946 -3.736 -10.307 1.00 0.00 O ATOM 94 OE2 GLU A 7 -7.120 -2.446 -10.505 1.00 0.00 O ATOM 0 H GLU A 7 -9.472 -0.778 -6.141 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.669 -2.895 -7.911 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.246 -0.098 -8.065 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.620 -0.336 -8.674 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.187 -1.646 -9.647 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.083 -0.636 -10.559 1.00 0.00 H new ATOM 100 N ILE A 8 -6.431 -1.218 -6.189 1.00 0.00 N ATOM 101 CA ILE A 8 -5.047 -1.223 -5.748 1.00 0.00 C ATOM 102 C ILE A 8 -4.921 -2.076 -4.485 1.00 0.00 C ATOM 103 O ILE A 8 -3.820 -2.278 -3.975 1.00 0.00 O ATOM 104 CB ILE A 8 -4.534 0.209 -5.577 1.00 0.00 C ATOM 105 CG1 ILE A 8 -5.105 1.128 -6.659 1.00 0.00 C ATOM 106 CG2 ILE A 8 -3.005 0.243 -5.545 1.00 0.00 C ATOM 107 CD1 ILE A 8 -4.859 2.598 -6.314 1.00 0.00 C ATOM 0 H ILE A 8 -7.015 -0.505 -5.752 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.408 -1.678 -6.505 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.885 0.586 -4.616 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.646 0.894 -7.620 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.175 0.950 -6.765 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.666 1.272 -5.423 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.645 -0.359 -4.711 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.612 -0.160 -6.479 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.274 3.230 -7.099 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.340 2.834 -5.365 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.787 2.778 -6.232 1.00 0.00 H new ATOM 118 N ILE A 9 -6.064 -2.555 -4.016 1.00 0.00 N ATOM 119 CA ILE A 9 -6.096 -3.381 -2.822 1.00 0.00 C ATOM 120 C ILE A 9 -6.346 -4.838 -3.221 1.00 0.00 C ATOM 121 O ILE A 9 -5.735 -5.750 -2.667 1.00 0.00 O ATOM 122 CB ILE A 9 -7.114 -2.836 -1.819 1.00 0.00 C ATOM 123 CG1 ILE A 9 -6.735 -1.424 -1.366 1.00 0.00 C ATOM 124 CG2 ILE A 9 -7.285 -3.791 -0.637 1.00 0.00 C ATOM 125 CD1 ILE A 9 -7.249 -1.147 0.048 1.00 0.00 C ATOM 0 H ILE A 9 -6.975 -2.386 -4.442 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.133 -3.349 -2.312 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.081 -2.766 -2.317 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.652 -1.308 -1.392 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.151 -0.692 -2.058 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.014 -3.379 0.061 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -7.634 -4.758 -0.998 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.328 -3.917 -0.130 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.967 -0.137 0.346 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.335 -1.240 0.065 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.812 -1.866 0.741 1.00 0.00 H new ATOM 136 N ALA A 10 -7.244 -5.009 -4.180 1.00 0.00 N ATOM 137 CA ALA A 10 -7.582 -6.339 -4.660 1.00 0.00 C ATOM 138 C ALA A 10 -6.713 -6.673 -5.874 1.00 0.00 C ATOM 139 O ALA A 10 -6.324 -7.824 -6.065 1.00 0.00 O ATOM 140 CB ALA A 10 -9.076 -6.402 -4.977 1.00 0.00 C ATOM 0 H ALA A 10 -7.748 -4.249 -4.638 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.380 -7.088 -3.894 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.330 -7.399 -5.337 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.649 -6.185 -4.075 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.316 -5.667 -5.745 1.00 0.00 H new ATOM 146 N GLY A 11 -6.435 -5.647 -6.664 1.00 0.00 N ATOM 147 CA GLY A 11 -5.620 -5.817 -7.855 1.00 0.00 C ATOM 148 C GLY A 11 -4.160 -6.085 -7.486 1.00 0.00 C ATOM 149 O GLY A 11 -3.498 -6.912 -8.112 1.00 0.00 O ATOM 0 H GLY A 11 -6.760 -4.694 -6.503 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.007 -6.645 -8.449 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.684 -4.923 -8.475 1.00 0.00 H new ATOM 153 N ILE A 12 -3.698 -5.368 -6.471 1.00 0.00 N ATOM 154 CA ILE A 12 -2.329 -5.518 -6.011 1.00 0.00 C ATOM 155 C ILE A 12 -2.216 -6.784 -5.159 1.00 0.00 C ATOM 156 O ILE A 12 -1.370 -7.637 -5.419 1.00 0.00 O ATOM 157 CB ILE A 12 -1.864 -4.250 -5.292 1.00 0.00 C ATOM 158 CG1 ILE A 12 -1.770 -3.071 -6.263 1.00 0.00 C ATOM 159 CG2 ILE A 12 -0.545 -4.490 -4.554 1.00 0.00 C ATOM 160 CD1 ILE A 12 -0.520 -2.232 -5.988 1.00 0.00 C ATOM 0 H ILE A 12 -4.248 -4.682 -5.955 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.655 -5.643 -6.858 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.611 -3.991 -4.542 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.746 -3.441 -7.288 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.659 -2.447 -6.170 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.237 -3.573 -4.052 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.680 -5.280 -3.816 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.223 -4.788 -5.268 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.478 -1.401 -6.692 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.559 -1.844 -4.970 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.368 -2.853 -6.106 1.00 0.00 H new ATOM 171 N ALA A 13 -3.083 -6.866 -4.161 1.00 0.00 N ATOM 172 CA ALA A 13 -3.092 -8.014 -3.270 1.00 0.00 C ATOM 173 C ALA A 13 -2.924 -9.293 -4.092 1.00 0.00 C ATOM 174 O ALA A 13 -2.104 -10.146 -3.759 1.00 0.00 O ATOM 175 CB ALA A 13 -4.382 -8.012 -2.448 1.00 0.00 C ATOM 0 H ALA A 13 -3.784 -6.156 -3.949 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.260 -7.963 -2.568 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.389 -8.873 -1.780 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.437 -7.096 -1.860 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.240 -8.066 -3.118 1.00 0.00 H new ATOM 181 N GLU A 14 -3.717 -9.386 -5.149 1.00 0.00 N ATOM 182 CA GLU A 14 -3.668 -10.548 -6.021 1.00 0.00 C ATOM 183 C GLU A 14 -2.255 -10.733 -6.579 1.00 0.00 C ATOM 184 O GLU A 14 -1.726 -11.843 -6.582 1.00 0.00 O ATOM 185 CB GLU A 14 -4.692 -10.429 -7.151 1.00 0.00 C ATOM 186 CG GLU A 14 -6.082 -10.863 -6.680 1.00 0.00 C ATOM 187 CD GLU A 14 -6.657 -11.947 -7.594 1.00 0.00 C ATOM 188 OE1 GLU A 14 -6.545 -13.142 -7.286 1.00 0.00 O ATOM 189 OE2 GLU A 14 -7.240 -11.509 -8.658 1.00 0.00 O ATOM 0 H GLU A 14 -4.397 -8.676 -5.422 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.925 -11.430 -5.434 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.730 -9.399 -7.505 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.381 -11.045 -7.995 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.023 -11.238 -5.658 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.750 -10.002 -6.666 1.00 0.00 H new ATOM 195 N ILE A 15 -1.685 -9.628 -7.037 1.00 0.00 N ATOM 196 CA ILE A 15 -0.344 -9.655 -7.595 1.00 0.00 C ATOM 197 C ILE A 15 0.652 -10.050 -6.504 1.00 0.00 C ATOM 198 O ILE A 15 1.546 -10.862 -6.738 1.00 0.00 O ATOM 199 CB ILE A 15 -0.018 -8.321 -8.271 1.00 0.00 C ATOM 200 CG1 ILE A 15 -0.770 -8.180 -9.595 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.492 -8.151 -8.448 1.00 0.00 C ATOM 202 CD1 ILE A 15 -0.538 -6.798 -10.213 1.00 0.00 C ATOM 0 H ILE A 15 -2.127 -8.709 -7.033 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.274 -10.410 -8.378 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.358 -7.516 -7.620 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.440 -8.953 -10.289 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.836 -8.334 -9.430 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.696 -7.195 -8.931 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.978 -8.176 -7.473 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.879 -8.960 -9.067 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.084 -6.724 -11.154 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.892 -6.029 -9.527 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.527 -6.657 -10.399 1.00 0.00 H new ATOM 213 N ILE A 16 0.463 -9.459 -5.333 1.00 0.00 N ATOM 214 CA ILE A 16 1.334 -9.739 -4.204 1.00 0.00 C ATOM 215 C ILE A 16 1.393 -11.252 -3.974 1.00 0.00 C ATOM 216 O ILE A 16 2.432 -11.783 -3.587 1.00 0.00 O ATOM 217 CB ILE A 16 0.885 -8.949 -2.973 1.00 0.00 C ATOM 218 CG1 ILE A 16 0.999 -7.442 -3.218 1.00 0.00 C ATOM 219 CG2 ILE A 16 1.661 -9.386 -1.728 1.00 0.00 C ATOM 220 CD1 ILE A 16 1.053 -6.674 -1.897 1.00 0.00 C ATOM 0 H ILE A 16 -0.281 -8.787 -5.142 1.00 0.00 H new ATOM 0 HA ILE A 16 2.350 -9.407 -4.416 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.167 -9.168 -2.791 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.895 -7.232 -3.802 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.148 -7.100 -3.807 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.323 -8.809 -0.867 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.488 -10.446 -1.545 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.726 -9.214 -1.884 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.134 -5.606 -2.100 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.145 -6.867 -1.326 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.919 -7.001 -1.321 1.00 0.00 H new ATOM 231 N GLU A 17 0.265 -11.900 -4.224 1.00 0.00 N ATOM 232 CA GLU A 17 0.176 -13.340 -4.050 1.00 0.00 C ATOM 233 C GLU A 17 0.930 -14.058 -5.172 1.00 0.00 C ATOM 234 O GLU A 17 0.970 -15.287 -5.210 1.00 0.00 O ATOM 235 CB GLU A 17 -1.283 -13.796 -3.990 1.00 0.00 C ATOM 236 CG GLU A 17 -1.380 -15.273 -3.602 1.00 0.00 C ATOM 237 CD GLU A 17 -2.002 -16.097 -4.731 1.00 0.00 C ATOM 238 OE1 GLU A 17 -3.235 -16.134 -4.864 1.00 0.00 O ATOM 239 OE2 GLU A 17 -1.157 -16.713 -5.487 1.00 0.00 O ATOM 0 H GLU A 17 -0.595 -11.455 -4.545 1.00 0.00 H new ATOM 0 HA GLU A 17 0.643 -13.601 -3.100 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.828 -13.190 -3.266 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.757 -13.639 -4.959 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.387 -15.658 -3.371 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.980 -15.377 -2.698 1.00 0.00 H new ATOM 245 N GLU A 18 1.509 -13.260 -6.058 1.00 0.00 N ATOM 246 CA GLU A 18 2.259 -13.804 -7.177 1.00 0.00 C ATOM 247 C GLU A 18 3.760 -13.615 -6.951 1.00 0.00 C ATOM 248 O GLU A 18 4.544 -14.541 -7.158 1.00 0.00 O ATOM 249 CB GLU A 18 1.818 -13.165 -8.495 1.00 0.00 C ATOM 250 CG GLU A 18 0.311 -13.330 -8.707 1.00 0.00 C ATOM 251 CD GLU A 18 0.022 -14.193 -9.937 1.00 0.00 C ATOM 252 OE1 GLU A 18 0.690 -14.042 -10.970 1.00 0.00 O ATOM 253 OE2 GLU A 18 -0.935 -15.046 -9.792 1.00 0.00 O ATOM 0 H GLU A 18 1.474 -12.241 -6.023 1.00 0.00 H new ATOM 0 HA GLU A 18 2.053 -14.872 -7.243 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.075 -12.106 -8.494 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.358 -13.623 -9.324 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.136 -13.787 -7.824 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.152 -12.351 -8.828 1.00 0.00 H new ATOM 259 N VAL A 19 4.116 -12.411 -6.530 1.00 0.00 N ATOM 260 CA VAL A 19 5.510 -12.089 -6.275 1.00 0.00 C ATOM 261 C VAL A 19 5.893 -12.577 -4.876 1.00 0.00 C ATOM 262 O VAL A 19 6.693 -13.502 -4.735 1.00 0.00 O ATOM 263 CB VAL A 19 5.745 -10.590 -6.470 1.00 0.00 C ATOM 264 CG1 VAL A 19 7.231 -10.290 -6.676 1.00 0.00 C ATOM 265 CG2 VAL A 19 4.911 -10.051 -7.634 1.00 0.00 C ATOM 0 H VAL A 19 3.463 -11.646 -6.359 1.00 0.00 H new ATOM 0 HA VAL A 19 6.157 -12.601 -6.987 1.00 0.00 H new ATOM 0 HB VAL A 19 5.423 -10.080 -5.562 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.370 -9.218 -6.812 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.793 -10.621 -5.803 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.590 -10.818 -7.560 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.097 -8.983 -7.751 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.188 -10.570 -8.551 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.853 -10.215 -7.430 1.00 0.00 H new ATOM 275 N THR A 20 5.304 -11.934 -3.878 1.00 0.00 N ATOM 276 CA THR A 20 5.575 -12.292 -2.496 1.00 0.00 C ATOM 277 C THR A 20 4.900 -13.620 -2.147 1.00 0.00 C ATOM 278 O THR A 20 5.375 -14.352 -1.280 1.00 0.00 O ATOM 279 CB THR A 20 5.122 -11.129 -1.610 1.00 0.00 C ATOM 280 OG1 THR A 20 3.702 -11.134 -1.732 1.00 0.00 O ATOM 281 CG2 THR A 20 5.539 -9.768 -2.171 1.00 0.00 C ATOM 0 H THR A 20 4.641 -11.168 -3.999 1.00 0.00 H new ATOM 0 HA THR A 20 6.640 -12.451 -2.330 1.00 0.00 H new ATOM 0 HB THR A 20 5.537 -11.251 -0.610 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.452 -11.424 -2.634 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.193 -8.978 -1.504 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.625 -9.725 -2.251 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.096 -9.630 -3.158 1.00 0.00 H new ATOM 289 N GLY A 21 3.804 -13.891 -2.840 1.00 0.00 N ATOM 290 CA GLY A 21 3.060 -15.118 -2.615 1.00 0.00 C ATOM 291 C GLY A 21 2.193 -15.011 -1.359 1.00 0.00 C ATOM 292 O GLY A 21 1.823 -16.023 -0.767 1.00 0.00 O ATOM 0 H GLY A 21 3.413 -13.281 -3.558 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.430 -15.329 -3.479 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.752 -15.954 -2.513 1.00 0.00 H new ATOM 296 N ILE A 22 1.895 -13.774 -0.989 1.00 0.00 N ATOM 297 CA ILE A 22 1.079 -13.521 0.187 1.00 0.00 C ATOM 298 C ILE A 22 -0.399 -13.656 -0.186 1.00 0.00 C ATOM 299 O ILE A 22 -0.746 -13.677 -1.366 1.00 0.00 O ATOM 300 CB ILE A 22 1.435 -12.168 0.805 1.00 0.00 C ATOM 301 CG1 ILE A 22 2.916 -12.113 1.188 1.00 0.00 C ATOM 302 CG2 ILE A 22 0.524 -11.851 1.993 1.00 0.00 C ATOM 303 CD1 ILE A 22 3.396 -10.666 1.314 1.00 0.00 C ATOM 0 H ILE A 22 2.204 -12.936 -1.482 1.00 0.00 H new ATOM 0 HA ILE A 22 1.283 -14.262 0.960 1.00 0.00 H new ATOM 0 HB ILE A 22 1.267 -11.395 0.055 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.071 -12.635 2.132 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.509 -12.633 0.436 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.798 -10.884 2.414 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.513 -11.820 1.658 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.637 -12.623 2.754 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.451 -10.655 1.587 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.262 -10.154 0.361 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.817 -10.156 2.084 1.00 0.00 H new ATOM 314 N GLU A 23 -1.230 -13.745 0.843 1.00 0.00 N ATOM 315 CA GLU A 23 -2.663 -13.878 0.638 1.00 0.00 C ATOM 316 C GLU A 23 -3.242 -12.577 0.081 1.00 0.00 C ATOM 317 O GLU A 23 -2.710 -11.497 0.334 1.00 0.00 O ATOM 318 CB GLU A 23 -3.367 -14.281 1.936 1.00 0.00 C ATOM 319 CG GLU A 23 -3.869 -15.724 1.862 1.00 0.00 C ATOM 320 CD GLU A 23 -2.710 -16.697 1.630 1.00 0.00 C ATOM 321 OE1 GLU A 23 -2.059 -17.126 2.595 1.00 0.00 O ATOM 322 OE2 GLU A 23 -2.496 -17.004 0.397 1.00 0.00 O ATOM 0 H GLU A 23 -0.939 -13.728 1.820 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.835 -14.670 -0.091 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.680 -14.174 2.775 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.205 -13.610 2.123 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.385 -15.981 2.787 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.595 -15.819 1.055 1.00 0.00 H new ATOM 328 N PRO A 24 -4.354 -12.725 -0.688 1.00 0.00 N ATOM 329 CA PRO A 24 -5.011 -11.574 -1.284 1.00 0.00 C ATOM 330 C PRO A 24 -5.801 -10.790 -0.234 1.00 0.00 C ATOM 331 O PRO A 24 -5.672 -9.571 -0.138 1.00 0.00 O ATOM 332 CB PRO A 24 -5.891 -12.149 -2.382 1.00 0.00 C ATOM 333 CG PRO A 24 -6.051 -13.626 -2.058 1.00 0.00 C ATOM 334 CD PRO A 24 -5.012 -13.988 -1.011 1.00 0.00 C ATOM 0 HA PRO A 24 -4.305 -10.852 -1.694 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.859 -11.648 -2.409 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.433 -12.011 -3.362 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.055 -13.829 -1.685 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.916 -14.230 -2.955 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.476 -14.429 -0.129 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.300 -14.718 -1.396 1.00 0.00 H new ATOM 339 N SER A 25 -6.600 -11.522 0.527 1.00 0.00 N ATOM 340 CA SER A 25 -7.411 -10.910 1.566 1.00 0.00 C ATOM 341 C SER A 25 -6.512 -10.359 2.675 1.00 0.00 C ATOM 342 O SER A 25 -6.905 -9.447 3.401 1.00 0.00 O ATOM 343 CB SER A 25 -8.412 -11.912 2.146 1.00 0.00 C ATOM 344 OG SER A 25 -9.732 -11.379 2.197 1.00 0.00 O ATOM 0 H SER A 25 -6.704 -12.533 0.445 1.00 0.00 H new ATOM 0 HA SER A 25 -7.974 -10.090 1.121 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.410 -12.818 1.540 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.098 -12.199 3.150 1.00 0.00 H new ATOM 0 HG SER A 25 -10.341 -12.049 2.571 1.00 0.00 H new ATOM 349 N GLU A 26 -5.321 -10.933 2.769 1.00 0.00 N ATOM 350 CA GLU A 26 -4.363 -10.511 3.776 1.00 0.00 C ATOM 351 C GLU A 26 -3.969 -9.049 3.552 1.00 0.00 C ATOM 352 O GLU A 26 -3.894 -8.270 4.501 1.00 0.00 O ATOM 353 CB GLU A 26 -3.131 -11.418 3.775 1.00 0.00 C ATOM 354 CG GLU A 26 -2.422 -11.380 5.131 1.00 0.00 C ATOM 355 CD GLU A 26 -1.473 -12.570 5.286 1.00 0.00 C ATOM 356 OE1 GLU A 26 -1.847 -13.708 4.963 1.00 0.00 O ATOM 357 OE2 GLU A 26 -0.309 -12.280 5.759 1.00 0.00 O ATOM 0 H GLU A 26 -4.998 -11.687 2.163 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.833 -10.595 4.756 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.428 -12.441 3.544 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.443 -11.102 2.991 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.863 -10.449 5.227 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.161 -11.392 5.932 1.00 0.00 H new ATOM 363 N ILE A 27 -3.727 -8.721 2.291 1.00 0.00 N ATOM 364 CA ILE A 27 -3.343 -7.367 1.930 1.00 0.00 C ATOM 365 C ILE A 27 -4.483 -6.408 2.277 1.00 0.00 C ATOM 366 O ILE A 27 -5.640 -6.670 1.950 1.00 0.00 O ATOM 367 CB ILE A 27 -2.910 -7.305 0.464 1.00 0.00 C ATOM 368 CG1 ILE A 27 -1.465 -7.778 0.298 1.00 0.00 C ATOM 369 CG2 ILE A 27 -3.124 -5.904 -0.112 1.00 0.00 C ATOM 370 CD1 ILE A 27 -1.137 -8.899 1.288 1.00 0.00 C ATOM 0 H ILE A 27 -3.789 -9.370 1.507 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.474 -7.051 2.507 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.539 -7.988 -0.107 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.309 -8.131 -0.721 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.785 -6.941 0.453 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.808 -5.887 -1.155 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.180 -5.642 -0.048 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.536 -5.183 0.457 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.104 -9.217 1.149 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.270 -8.535 2.307 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.803 -9.744 1.114 1.00 0.00 H new ATOM 381 N THR A 28 -4.119 -5.316 2.931 1.00 0.00 N ATOM 382 CA THR A 28 -5.097 -4.317 3.324 1.00 0.00 C ATOM 383 C THR A 28 -4.474 -2.919 3.293 1.00 0.00 C ATOM 384 O THR A 28 -3.255 -2.781 3.215 1.00 0.00 O ATOM 385 CB THR A 28 -5.645 -4.707 4.698 1.00 0.00 C ATOM 386 OG1 THR A 28 -4.558 -5.379 5.328 1.00 0.00 O ATOM 387 CG2 THR A 28 -6.741 -5.771 4.611 1.00 0.00 C ATOM 0 H THR A 28 -3.159 -5.101 3.199 1.00 0.00 H new ATOM 0 HA THR A 28 -5.931 -4.283 2.623 1.00 0.00 H new ATOM 0 HB THR A 28 -6.038 -3.821 5.196 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.827 -5.665 6.226 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.095 -6.011 5.613 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.570 -5.391 4.015 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.339 -6.670 4.143 1.00 0.00 H new ATOM 395 N PRO A 29 -5.364 -1.892 3.356 1.00 0.00 N ATOM 396 CA PRO A 29 -4.914 -0.511 3.336 1.00 0.00 C ATOM 397 C PRO A 29 -4.306 -0.112 4.682 1.00 0.00 C ATOM 398 O PRO A 29 -4.558 0.983 5.181 1.00 0.00 O ATOM 399 CB PRO A 29 -6.150 0.300 2.980 1.00 0.00 C ATOM 400 CG PRO A 29 -7.339 -0.603 3.269 1.00 0.00 C ATOM 401 CD PRO A 29 -6.815 -2.019 3.449 1.00 0.00 C ATOM 0 HA PRO A 29 -4.118 -0.339 2.612 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.201 1.214 3.572 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -6.132 0.599 1.932 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -7.861 -0.272 4.167 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -8.057 -0.563 2.450 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.115 -2.433 4.412 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.204 -2.686 2.680 1.00 0.00 H new ATOM 406 N GLU A 30 -3.516 -1.024 5.232 1.00 0.00 N ATOM 407 CA GLU A 30 -2.870 -0.780 6.510 1.00 0.00 C ATOM 408 C GLU A 30 -1.418 -1.264 6.471 1.00 0.00 C ATOM 409 O GLU A 30 -0.731 -1.259 7.491 1.00 0.00 O ATOM 410 CB GLU A 30 -3.640 -1.451 7.649 1.00 0.00 C ATOM 411 CG GLU A 30 -5.034 -0.840 7.803 1.00 0.00 C ATOM 412 CD GLU A 30 -5.255 -0.327 9.227 1.00 0.00 C ATOM 413 OE1 GLU A 30 -5.312 0.892 9.445 1.00 0.00 O ATOM 414 OE2 GLU A 30 -5.369 -1.246 10.126 1.00 0.00 O ATOM 0 H GLU A 30 -3.309 -1.932 4.816 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.870 0.294 6.697 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.727 -2.520 7.454 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.086 -1.341 8.581 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.156 -0.020 7.095 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.791 -1.586 7.560 1.00 0.00 H new ATOM 420 N LYS A 31 -0.995 -1.668 5.282 1.00 0.00 N ATOM 421 CA LYS A 31 0.363 -2.152 5.097 1.00 0.00 C ATOM 422 C LYS A 31 1.338 -0.980 5.213 1.00 0.00 C ATOM 423 O LYS A 31 0.932 0.179 5.149 1.00 0.00 O ATOM 424 CB LYS A 31 0.481 -2.923 3.781 1.00 0.00 C ATOM 425 CG LYS A 31 -0.538 -4.062 3.718 1.00 0.00 C ATOM 426 CD LYS A 31 0.131 -5.376 3.310 1.00 0.00 C ATOM 427 CE LYS A 31 -0.091 -6.457 4.370 1.00 0.00 C ATOM 428 NZ LYS A 31 0.840 -7.588 4.160 1.00 0.00 N ATOM 0 H LYS A 31 -1.568 -1.670 4.438 1.00 0.00 H new ATOM 0 HA LYS A 31 0.625 -2.863 5.881 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.325 -2.244 2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.489 -3.326 3.681 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.017 -4.180 4.690 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.323 -3.813 3.004 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.271 -5.711 2.354 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.200 -5.215 3.168 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.058 -6.036 5.364 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.120 -6.813 4.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.588 -8.369 4.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.775 -7.913 3.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.813 -7.278 4.359 1.00 0.00 H new ATOM 437 N SER A 32 2.607 -1.322 5.382 1.00 0.00 N ATOM 438 CA SER A 32 3.645 -0.311 5.508 1.00 0.00 C ATOM 439 C SER A 32 4.728 -0.539 4.452 1.00 0.00 C ATOM 440 O SER A 32 5.814 0.031 4.538 1.00 0.00 O ATOM 441 CB SER A 32 4.258 -0.323 6.910 1.00 0.00 C ATOM 442 OG SER A 32 4.478 0.993 7.407 1.00 0.00 O ATOM 0 H SER A 32 2.940 -2.285 5.435 1.00 0.00 H new ATOM 0 HA SER A 32 3.192 0.667 5.348 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.598 -0.862 7.590 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.203 -0.865 6.888 1.00 0.00 H new ATOM 0 HG SER A 32 4.869 0.943 8.304 1.00 0.00 H new ATOM 447 N PHE A 33 4.395 -1.377 3.480 1.00 0.00 N ATOM 448 CA PHE A 33 5.326 -1.687 2.408 1.00 0.00 C ATOM 449 C PHE A 33 6.343 -2.741 2.853 1.00 0.00 C ATOM 450 O PHE A 33 6.731 -3.605 2.069 1.00 0.00 O ATOM 451 CB PHE A 33 6.068 -0.393 2.070 1.00 0.00 C ATOM 452 CG PHE A 33 6.346 -0.207 0.577 1.00 0.00 C ATOM 453 CD1 PHE A 33 7.415 -0.822 0.004 1.00 0.00 C ATOM 454 CD2 PHE A 33 5.525 0.574 -0.176 1.00 0.00 C ATOM 455 CE1 PHE A 33 7.674 -0.649 -1.382 1.00 0.00 C ATOM 456 CE2 PHE A 33 5.784 0.746 -1.562 1.00 0.00 C ATOM 457 CZ PHE A 33 6.853 0.131 -2.135 1.00 0.00 C ATOM 0 H PHE A 33 3.494 -1.850 3.413 1.00 0.00 H new ATOM 0 HA PHE A 33 4.784 -2.082 1.548 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.483 0.454 2.428 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.015 -0.377 2.610 1.00 0.00 H new ATOM 0 HD1 PHE A 33 8.067 -1.442 0.602 1.00 0.00 H new ATOM 0 HD2 PHE A 33 4.677 1.063 0.280 1.00 0.00 H new ATOM 0 HE1 PHE A 33 8.523 -1.137 -1.838 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.132 1.365 -2.161 1.00 0.00 H new ATOM 0 HZ PHE A 33 7.050 0.262 -3.189 1.00 0.00 H new ATOM 466 N VAL A 34 6.744 -2.636 4.111 1.00 0.00 N ATOM 467 CA VAL A 34 7.707 -3.569 4.671 1.00 0.00 C ATOM 468 C VAL A 34 7.268 -3.963 6.082 1.00 0.00 C ATOM 469 O VAL A 34 7.106 -5.146 6.378 1.00 0.00 O ATOM 470 CB VAL A 34 9.110 -2.960 4.629 1.00 0.00 C ATOM 471 CG1 VAL A 34 9.810 -3.103 5.982 1.00 0.00 C ATOM 472 CG2 VAL A 34 9.946 -3.585 3.510 1.00 0.00 C ATOM 0 H VAL A 34 6.419 -1.918 4.759 1.00 0.00 H new ATOM 0 HA VAL A 34 7.745 -4.482 4.076 1.00 0.00 H new ATOM 0 HB VAL A 34 9.007 -1.896 4.416 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.805 -2.662 5.925 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.229 -2.590 6.748 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.895 -4.159 6.238 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.938 -3.134 3.502 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.036 -4.658 3.679 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.460 -3.408 2.551 1.00 0.00 H new ATOM 482 N ASP A 35 7.090 -2.950 6.917 1.00 0.00 N ATOM 483 CA ASP A 35 6.673 -3.175 8.290 1.00 0.00 C ATOM 484 C ASP A 35 5.665 -4.325 8.331 1.00 0.00 C ATOM 485 O ASP A 35 5.611 -5.075 9.305 1.00 0.00 O ATOM 486 CB ASP A 35 5.997 -1.932 8.873 1.00 0.00 C ATOM 487 CG ASP A 35 6.066 -1.812 10.396 1.00 0.00 C ATOM 488 OD1 ASP A 35 7.100 -1.419 10.960 1.00 0.00 O ATOM 489 OD2 ASP A 35 4.987 -2.146 11.019 1.00 0.00 O ATOM 0 H ASP A 35 7.227 -1.970 6.669 1.00 0.00 H new ATOM 0 HA ASP A 35 7.561 -3.410 8.877 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.457 -1.047 8.433 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.950 -1.931 8.571 1.00 0.00 H new ATOM 494 N ASP A 36 4.891 -4.428 7.261 1.00 0.00 N ATOM 495 CA ASP A 36 3.887 -5.474 7.161 1.00 0.00 C ATOM 496 C ASP A 36 4.367 -6.544 6.178 1.00 0.00 C ATOM 497 O ASP A 36 4.653 -7.673 6.574 1.00 0.00 O ATOM 498 CB ASP A 36 2.559 -4.916 6.642 1.00 0.00 C ATOM 499 CG ASP A 36 1.354 -5.168 7.549 1.00 0.00 C ATOM 500 OD1 ASP A 36 0.701 -6.219 7.467 1.00 0.00 O ATOM 501 OD2 ASP A 36 1.089 -4.217 8.380 1.00 0.00 O ATOM 0 H ASP A 36 4.939 -3.804 6.455 1.00 0.00 H new ATOM 0 HA ASP A 36 3.737 -5.894 8.156 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.666 -3.841 6.496 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.356 -5.352 5.664 1.00 0.00 H new ATOM 506 N LEU A 37 4.441 -6.150 4.915 1.00 0.00 N ATOM 507 CA LEU A 37 4.880 -7.062 3.872 1.00 0.00 C ATOM 508 C LEU A 37 6.061 -7.888 4.387 1.00 0.00 C ATOM 509 O LEU A 37 6.031 -9.117 4.339 1.00 0.00 O ATOM 510 CB LEU A 37 5.184 -6.294 2.583 1.00 0.00 C ATOM 511 CG LEU A 37 3.972 -5.737 1.834 1.00 0.00 C ATOM 512 CD1 LEU A 37 4.408 -4.945 0.599 1.00 0.00 C ATOM 513 CD2 LEU A 37 2.985 -6.852 1.481 1.00 0.00 C ATOM 0 H LEU A 37 4.205 -5.212 4.590 1.00 0.00 H new ATOM 0 HA LEU A 37 4.085 -7.763 3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.849 -5.465 2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.730 -6.955 1.910 1.00 0.00 H new ATOM 0 HG LEU A 37 3.451 -5.044 2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.528 -4.560 0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.042 -4.113 0.905 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.965 -5.597 -0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.133 -6.429 0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.479 -7.588 0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.639 -7.334 2.395 1.00 0.00 H new ATOM 524 N ASP A 38 7.071 -7.180 4.870 1.00 0.00 N ATOM 525 CA ASP A 38 8.259 -7.834 5.395 1.00 0.00 C ATOM 526 C ASP A 38 8.977 -8.564 4.259 1.00 0.00 C ATOM 527 O ASP A 38 9.846 -9.400 4.505 1.00 0.00 O ATOM 528 CB ASP A 38 7.894 -8.865 6.464 1.00 0.00 C ATOM 529 CG ASP A 38 8.841 -8.916 7.664 1.00 0.00 C ATOM 530 OD1 ASP A 38 8.632 -8.225 8.673 1.00 0.00 O ATOM 531 OD2 ASP A 38 9.844 -9.716 7.533 1.00 0.00 O ATOM 0 H ASP A 38 7.092 -6.161 4.909 1.00 0.00 H new ATOM 0 HA ASP A 38 8.898 -7.069 5.836 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.887 -8.652 6.824 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.865 -9.851 6.001 1.00 0.00 H new ATOM 536 N ILE A 39 8.589 -8.223 3.040 1.00 0.00 N ATOM 537 CA ILE A 39 9.185 -8.836 1.864 1.00 0.00 C ATOM 538 C ILE A 39 10.307 -7.939 1.340 1.00 0.00 C ATOM 539 O ILE A 39 11.188 -8.400 0.616 1.00 0.00 O ATOM 540 CB ILE A 39 8.111 -9.151 0.821 1.00 0.00 C ATOM 541 CG1 ILE A 39 8.465 -10.414 0.034 1.00 0.00 C ATOM 542 CG2 ILE A 39 7.872 -7.951 -0.098 1.00 0.00 C ATOM 543 CD1 ILE A 39 9.872 -10.316 -0.557 1.00 0.00 C ATOM 0 H ILE A 39 7.868 -7.529 2.840 1.00 0.00 H new ATOM 0 HA ILE A 39 9.637 -9.794 2.121 1.00 0.00 H new ATOM 0 HB ILE A 39 7.175 -9.349 1.343 1.00 0.00 H new ATOM 0 HG12 ILE A 39 8.401 -11.284 0.688 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.740 -10.563 -0.766 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.104 -8.201 -0.830 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.543 -7.098 0.496 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.798 -7.698 -0.615 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.098 -11.227 -1.111 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.925 -9.460 -1.229 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.597 -10.192 0.248 1.00 0.00 H new ATOM 554 N ASP A 40 10.240 -6.673 1.727 1.00 0.00 N ATOM 555 CA ASP A 40 11.240 -5.708 1.305 1.00 0.00 C ATOM 556 C ASP A 40 10.803 -5.071 -0.016 1.00 0.00 C ATOM 557 O ASP A 40 9.675 -5.274 -0.463 1.00 0.00 O ATOM 558 CB ASP A 40 12.596 -6.381 1.079 1.00 0.00 C ATOM 559 CG ASP A 40 13.811 -5.478 1.302 1.00 0.00 C ATOM 560 OD1 ASP A 40 13.842 -4.669 2.242 1.00 0.00 O ATOM 561 OD2 ASP A 40 14.767 -5.632 0.451 1.00 0.00 O ATOM 0 H ASP A 40 9.508 -6.294 2.328 1.00 0.00 H new ATOM 0 HA ASP A 40 11.336 -4.958 2.090 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.674 -7.240 1.745 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.629 -6.764 0.059 1.00 0.00 H new ATOM 566 N SER A 41 11.718 -4.314 -0.602 1.00 0.00 N ATOM 567 CA SER A 41 11.442 -3.647 -1.863 1.00 0.00 C ATOM 568 C SER A 41 11.798 -4.566 -3.032 1.00 0.00 C ATOM 569 O SER A 41 11.697 -4.171 -4.192 1.00 0.00 O ATOM 570 CB SER A 41 12.212 -2.329 -1.970 1.00 0.00 C ATOM 571 OG SER A 41 13.614 -2.541 -2.119 1.00 0.00 O ATOM 0 H SER A 41 12.652 -4.147 -0.227 1.00 0.00 H new ATOM 0 HA SER A 41 10.377 -3.418 -1.901 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.839 -1.759 -2.821 1.00 0.00 H new ATOM 0 HB3 SER A 41 12.029 -1.728 -1.079 1.00 0.00 H new ATOM 0 HG SER A 41 14.070 -1.676 -2.186 1.00 0.00 H new ATOM 576 N LEU A 42 12.211 -5.777 -2.686 1.00 0.00 N ATOM 577 CA LEU A 42 12.582 -6.757 -3.691 1.00 0.00 C ATOM 578 C LEU A 42 11.333 -7.198 -4.457 1.00 0.00 C ATOM 579 O LEU A 42 11.164 -6.856 -5.626 1.00 0.00 O ATOM 580 CB LEU A 42 13.353 -7.915 -3.054 1.00 0.00 C ATOM 581 CG LEU A 42 14.739 -8.200 -3.635 1.00 0.00 C ATOM 582 CD1 LEU A 42 15.671 -8.781 -2.570 1.00 0.00 C ATOM 583 CD2 LEU A 42 14.643 -9.102 -4.867 1.00 0.00 C ATOM 0 H LEU A 42 12.297 -6.101 -1.723 1.00 0.00 H new ATOM 0 HA LEU A 42 13.262 -6.314 -4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.463 -7.710 -1.989 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.751 -8.819 -3.144 1.00 0.00 H new ATOM 0 HG LEU A 42 15.173 -7.255 -3.962 1.00 0.00 H new ATOM 0 HD11 LEU A 42 16.650 -8.974 -3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 42 15.775 -8.070 -1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 42 15.253 -9.713 -2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 42 15.642 -9.289 -5.260 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.179 -10.049 -4.590 1.00 0.00 H new ATOM 0 HD23 LEU A 42 14.039 -8.612 -5.630 1.00 0.00 H new ATOM 594 N SER A 43 10.489 -7.950 -3.764 1.00 0.00 N ATOM 595 CA SER A 43 9.260 -8.440 -4.363 1.00 0.00 C ATOM 596 C SER A 43 8.336 -7.267 -4.698 1.00 0.00 C ATOM 597 O SER A 43 7.770 -7.209 -5.788 1.00 0.00 O ATOM 598 CB SER A 43 8.550 -9.427 -3.435 1.00 0.00 C ATOM 599 OG SER A 43 7.741 -10.352 -4.156 1.00 0.00 O ATOM 0 H SER A 43 10.633 -8.231 -2.794 1.00 0.00 H new ATOM 0 HA SER A 43 9.515 -8.967 -5.283 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.291 -9.973 -2.851 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.929 -8.877 -2.728 1.00 0.00 H new ATOM 0 HG SER A 43 8.128 -11.249 -4.086 1.00 0.00 H new ATOM 604 N MET A 44 8.211 -6.362 -3.738 1.00 0.00 N ATOM 605 CA MET A 44 7.365 -5.194 -3.916 1.00 0.00 C ATOM 606 C MET A 44 7.680 -4.486 -5.236 1.00 0.00 C ATOM 607 O MET A 44 6.785 -3.940 -5.880 1.00 0.00 O ATOM 608 CB MET A 44 7.581 -4.225 -2.753 1.00 0.00 C ATOM 609 CG MET A 44 6.433 -4.312 -1.746 1.00 0.00 C ATOM 610 SD MET A 44 5.458 -2.817 -1.801 1.00 0.00 S ATOM 611 CE MET A 44 4.637 -3.040 -3.370 1.00 0.00 C ATOM 0 H MET A 44 8.681 -6.414 -2.834 1.00 0.00 H new ATOM 0 HA MET A 44 6.326 -5.521 -3.939 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.524 -4.453 -2.256 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.659 -3.207 -3.133 1.00 0.00 H new ATOM 0 HG2 MET A 44 5.805 -5.174 -1.971 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.830 -4.461 -0.742 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.730 -2.437 -3.395 1.00 0.00 H new ATOM 0 HE2 MET A 44 5.302 -2.729 -4.176 1.00 0.00 H new ATOM 0 HE3 MET A 44 4.378 -4.091 -3.499 1.00 0.00 H new ATOM 619 N VAL A 45 8.953 -4.519 -5.600 1.00 0.00 N ATOM 620 CA VAL A 45 9.397 -3.887 -6.830 1.00 0.00 C ATOM 621 C VAL A 45 8.656 -4.512 -8.015 1.00 0.00 C ATOM 622 O VAL A 45 8.308 -3.818 -8.970 1.00 0.00 O ATOM 623 CB VAL A 45 10.919 -3.993 -6.955 1.00 0.00 C ATOM 624 CG1 VAL A 45 11.325 -4.414 -8.369 1.00 0.00 C ATOM 625 CG2 VAL A 45 11.593 -2.680 -6.558 1.00 0.00 C ATOM 0 H VAL A 45 9.692 -4.974 -5.064 1.00 0.00 H new ATOM 0 HA VAL A 45 9.159 -2.823 -6.820 1.00 0.00 H new ATOM 0 HB VAL A 45 11.260 -4.766 -6.266 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.411 -4.482 -8.431 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.887 -5.385 -8.599 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.966 -3.675 -9.086 1.00 0.00 H new ATOM 0 HG21 VAL A 45 12.674 -2.782 -6.656 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.244 -1.880 -7.210 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.343 -2.441 -5.524 1.00 0.00 H new ATOM 635 N GLU A 46 8.435 -5.815 -7.913 1.00 0.00 N ATOM 636 CA GLU A 46 7.741 -6.539 -8.965 1.00 0.00 C ATOM 637 C GLU A 46 6.253 -6.186 -8.960 1.00 0.00 C ATOM 638 O GLU A 46 5.706 -5.777 -9.983 1.00 0.00 O ATOM 639 CB GLU A 46 7.946 -8.049 -8.816 1.00 0.00 C ATOM 640 CG GLU A 46 8.639 -8.631 -10.050 1.00 0.00 C ATOM 641 CD GLU A 46 9.813 -9.526 -9.648 1.00 0.00 C ATOM 642 OE1 GLU A 46 9.645 -10.748 -9.515 1.00 0.00 O ATOM 643 OE2 GLU A 46 10.934 -8.910 -9.472 1.00 0.00 O ATOM 0 H GLU A 46 8.724 -6.387 -7.119 1.00 0.00 H new ATOM 0 HA GLU A 46 8.162 -6.239 -9.925 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.544 -8.253 -7.928 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.983 -8.538 -8.670 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.923 -9.206 -10.636 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.996 -7.822 -10.687 1.00 0.00 H new ATOM 649 N ILE A 47 5.640 -6.356 -7.798 1.00 0.00 N ATOM 650 CA ILE A 47 4.226 -6.059 -7.647 1.00 0.00 C ATOM 651 C ILE A 47 3.912 -4.729 -8.335 1.00 0.00 C ATOM 652 O ILE A 47 2.833 -4.560 -8.903 1.00 0.00 O ATOM 653 CB ILE A 47 3.825 -6.096 -6.170 1.00 0.00 C ATOM 654 CG1 ILE A 47 3.649 -7.537 -5.687 1.00 0.00 C ATOM 655 CG2 ILE A 47 2.575 -5.251 -5.921 1.00 0.00 C ATOM 656 CD1 ILE A 47 4.369 -7.762 -4.356 1.00 0.00 C ATOM 0 H ILE A 47 6.097 -6.696 -6.952 1.00 0.00 H new ATOM 0 HA ILE A 47 3.622 -6.823 -8.137 1.00 0.00 H new ATOM 0 HB ILE A 47 4.632 -5.656 -5.584 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.588 -7.759 -5.572 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.039 -8.226 -6.436 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.311 -5.294 -4.864 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.773 -4.217 -6.204 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.749 -5.639 -6.517 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.228 -8.794 -4.036 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.434 -7.563 -4.480 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.960 -7.089 -3.603 1.00 0.00 H new ATOM 667 N ALA A 48 4.873 -3.821 -8.264 1.00 0.00 N ATOM 668 CA ALA A 48 4.712 -2.512 -8.873 1.00 0.00 C ATOM 669 C ALA A 48 5.031 -2.607 -10.367 1.00 0.00 C ATOM 670 O ALA A 48 4.283 -2.094 -11.199 1.00 0.00 O ATOM 671 CB ALA A 48 5.602 -1.499 -8.151 1.00 0.00 C ATOM 0 H ALA A 48 5.767 -3.966 -7.794 1.00 0.00 H new ATOM 0 HA ALA A 48 3.682 -2.168 -8.776 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.481 -0.517 -8.608 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.316 -1.448 -7.100 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.644 -1.809 -8.229 1.00 0.00 H new ATOM 677 N VAL A 49 6.142 -3.265 -10.661 1.00 0.00 N ATOM 678 CA VAL A 49 6.569 -3.434 -12.040 1.00 0.00 C ATOM 679 C VAL A 49 5.400 -3.970 -12.869 1.00 0.00 C ATOM 680 O VAL A 49 5.358 -3.779 -14.084 1.00 0.00 O ATOM 681 CB VAL A 49 7.805 -4.334 -12.099 1.00 0.00 C ATOM 682 CG1 VAL A 49 7.430 -5.755 -12.522 1.00 0.00 C ATOM 683 CG2 VAL A 49 8.868 -3.745 -13.030 1.00 0.00 C ATOM 0 H VAL A 49 6.760 -3.688 -9.968 1.00 0.00 H new ATOM 0 HA VAL A 49 6.860 -2.475 -12.469 1.00 0.00 H new ATOM 0 HB VAL A 49 8.230 -4.386 -11.097 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.327 -6.373 -12.556 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.727 -6.175 -11.803 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.969 -5.731 -13.509 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.736 -4.404 -13.054 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.458 -3.648 -14.035 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.168 -2.763 -12.664 1.00 0.00 H new ATOM 693 N GLN A 50 4.480 -4.629 -12.181 1.00 0.00 N ATOM 694 CA GLN A 50 3.314 -5.193 -12.839 1.00 0.00 C ATOM 695 C GLN A 50 2.165 -4.185 -12.837 1.00 0.00 C ATOM 696 O GLN A 50 1.680 -3.788 -13.896 1.00 0.00 O ATOM 697 CB GLN A 50 2.894 -6.507 -12.177 1.00 0.00 C ATOM 698 CG GLN A 50 4.038 -7.521 -12.193 1.00 0.00 C ATOM 699 CD GLN A 50 3.544 -8.913 -11.792 1.00 0.00 C ATOM 700 OE1 GLN A 50 3.088 -9.696 -12.609 1.00 0.00 O ATOM 701 NE2 GLN A 50 3.659 -9.174 -10.494 1.00 0.00 N ATOM 0 H GLN A 50 4.518 -4.785 -11.174 1.00 0.00 H new ATOM 0 HA GLN A 50 3.575 -5.414 -13.874 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.586 -6.318 -11.149 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.030 -6.920 -12.698 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.479 -7.561 -13.189 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.823 -7.199 -11.509 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.050 -8.472 -9.865 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.356 -10.076 -10.126 1.00 0.00 H new ATOM 708 N THR A 51 1.760 -3.799 -11.636 1.00 0.00 N ATOM 709 CA THR A 51 0.675 -2.844 -11.483 1.00 0.00 C ATOM 710 C THR A 51 0.939 -1.597 -12.327 1.00 0.00 C ATOM 711 O THR A 51 0.016 -1.027 -12.906 1.00 0.00 O ATOM 712 CB THR A 51 0.515 -2.545 -9.991 1.00 0.00 C ATOM 713 OG1 THR A 51 -0.213 -3.663 -9.489 1.00 0.00 O ATOM 714 CG2 THR A 51 -0.406 -1.352 -9.727 1.00 0.00 C ATOM 0 H THR A 51 2.164 -4.130 -10.760 1.00 0.00 H new ATOM 0 HA THR A 51 -0.266 -3.253 -11.850 1.00 0.00 H new ATOM 0 HB THR A 51 1.494 -2.351 -9.553 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.035 -3.822 -8.554 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.485 -1.184 -8.653 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.005 -0.463 -10.205 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.395 -1.559 -10.135 1.00 0.00 H new ATOM 722 N GLU A 52 2.206 -1.208 -12.371 1.00 0.00 N ATOM 723 CA GLU A 52 2.603 -0.038 -13.135 1.00 0.00 C ATOM 724 C GLU A 52 2.631 -0.365 -14.629 1.00 0.00 C ATOM 725 O GLU A 52 2.901 0.508 -15.454 1.00 0.00 O ATOM 726 CB GLU A 52 3.960 0.489 -12.664 1.00 0.00 C ATOM 727 CG GLU A 52 3.816 1.297 -11.372 1.00 0.00 C ATOM 728 CD GLU A 52 5.052 1.135 -10.484 1.00 0.00 C ATOM 729 OE1 GLU A 52 6.177 1.044 -10.998 1.00 0.00 O ATOM 730 OE2 GLU A 52 4.813 1.107 -9.217 1.00 0.00 O ATOM 0 H GLU A 52 2.970 -1.683 -11.890 1.00 0.00 H new ATOM 0 HA GLU A 52 1.867 0.748 -12.968 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.642 -0.346 -12.501 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.401 1.114 -13.441 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.671 2.350 -11.612 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.929 0.969 -10.830 1.00 0.00 H new ATOM 736 N ASP A 53 2.348 -1.622 -14.933 1.00 0.00 N ATOM 737 CA ASP A 53 2.337 -2.074 -16.314 1.00 0.00 C ATOM 738 C ASP A 53 0.918 -2.498 -16.696 1.00 0.00 C ATOM 739 O ASP A 53 0.311 -1.913 -17.592 1.00 0.00 O ATOM 740 CB ASP A 53 3.257 -3.281 -16.506 1.00 0.00 C ATOM 741 CG ASP A 53 4.300 -3.129 -17.616 1.00 0.00 C ATOM 742 OD1 ASP A 53 5.508 -3.271 -17.381 1.00 0.00 O ATOM 743 OD2 ASP A 53 3.819 -2.849 -18.780 1.00 0.00 O ATOM 0 H ASP A 53 2.124 -2.343 -14.247 1.00 0.00 H new ATOM 0 HA ASP A 53 2.684 -1.252 -16.940 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.774 -3.478 -15.567 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.644 -4.156 -16.722 1.00 0.00 H new ATOM 748 N LYS A 54 0.427 -3.511 -15.996 1.00 0.00 N ATOM 749 CA LYS A 54 -0.909 -4.019 -16.252 1.00 0.00 C ATOM 750 C LYS A 54 -1.862 -2.845 -16.477 1.00 0.00 C ATOM 751 O LYS A 54 -2.709 -2.889 -17.369 1.00 0.00 O ATOM 752 CB LYS A 54 -1.347 -4.962 -15.128 1.00 0.00 C ATOM 753 CG LYS A 54 -1.047 -6.418 -15.486 1.00 0.00 C ATOM 754 CD LYS A 54 -1.314 -7.342 -14.295 1.00 0.00 C ATOM 755 CE LYS A 54 -2.780 -7.777 -14.256 1.00 0.00 C ATOM 756 NZ LYS A 54 -2.888 -9.247 -14.391 1.00 0.00 N ATOM 0 H LYS A 54 0.931 -3.993 -15.252 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.922 -4.618 -17.163 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.832 -4.697 -14.205 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.414 -4.842 -14.943 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.663 -6.722 -16.332 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.007 -6.513 -15.798 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.672 -8.220 -14.361 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.058 -6.829 -13.368 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.236 -7.457 -13.319 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.331 -7.290 -15.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.890 -9.526 -14.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.472 -9.544 -15.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.379 -9.706 -13.609 1.00 0.00 H new ATOM 765 N TYR A 55 -1.695 -1.823 -15.651 1.00 0.00 N ATOM 766 CA TYR A 55 -2.530 -0.637 -15.748 1.00 0.00 C ATOM 767 C TYR A 55 -1.763 0.524 -16.382 1.00 0.00 C ATOM 768 O TYR A 55 -2.247 1.156 -17.320 1.00 0.00 O ATOM 769 CB TYR A 55 -2.903 -0.264 -14.311 1.00 0.00 C ATOM 770 CG TYR A 55 -4.374 -0.503 -13.968 1.00 0.00 C ATOM 771 CD1 TYR A 55 -5.317 0.461 -14.264 1.00 0.00 C ATOM 772 CD2 TYR A 55 -4.759 -1.682 -13.363 1.00 0.00 C ATOM 773 CE1 TYR A 55 -6.702 0.236 -13.940 1.00 0.00 C ATOM 774 CE2 TYR A 55 -6.144 -1.907 -13.039 1.00 0.00 C ATOM 775 CZ TYR A 55 -7.048 -0.937 -13.345 1.00 0.00 C ATOM 776 OH TYR A 55 -8.356 -1.149 -13.039 1.00 0.00 O ATOM 0 H TYR A 55 -0.994 -1.791 -14.911 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.404 -0.834 -16.369 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.282 -0.840 -13.624 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.669 0.788 -14.147 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.016 1.383 -14.738 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.021 -2.436 -13.132 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.450 0.982 -14.165 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -6.458 -2.825 -12.564 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.550 -2.109 -13.079 1.00 0.00 H new ATOM 785 N GLY A 56 -0.577 0.771 -15.844 1.00 0.00 N ATOM 786 CA GLY A 56 0.263 1.846 -16.344 1.00 0.00 C ATOM 787 C GLY A 56 0.351 2.990 -15.332 1.00 0.00 C ATOM 788 O GLY A 56 0.717 4.110 -15.685 1.00 0.00 O ATOM 0 H GLY A 56 -0.178 0.245 -15.067 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.262 1.464 -16.554 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.140 2.219 -17.286 1.00 0.00 H new ATOM 792 N VAL A 57 0.011 2.668 -14.092 1.00 0.00 N ATOM 793 CA VAL A 57 0.047 3.654 -13.026 1.00 0.00 C ATOM 794 C VAL A 57 1.436 4.295 -12.977 1.00 0.00 C ATOM 795 O VAL A 57 2.432 3.652 -13.304 1.00 0.00 O ATOM 796 CB VAL A 57 -0.359 3.008 -11.701 1.00 0.00 C ATOM 797 CG1 VAL A 57 -1.703 2.287 -11.832 1.00 0.00 C ATOM 798 CG2 VAL A 57 0.727 2.056 -11.199 1.00 0.00 C ATOM 0 H VAL A 57 -0.291 1.738 -13.802 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.673 4.450 -13.218 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.475 3.802 -10.963 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.969 1.836 -10.876 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.473 3.002 -12.123 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.626 1.509 -12.591 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.412 1.610 -10.255 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.890 1.269 -11.935 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.654 2.609 -11.048 1.00 0.00 H new ATOM 808 N LYS A 58 1.458 5.554 -12.566 1.00 0.00 N ATOM 809 CA LYS A 58 2.708 6.289 -12.469 1.00 0.00 C ATOM 810 C LYS A 58 3.163 6.323 -11.009 1.00 0.00 C ATOM 811 O LYS A 58 2.633 7.093 -10.208 1.00 0.00 O ATOM 812 CB LYS A 58 2.566 7.674 -13.102 1.00 0.00 C ATOM 813 CG LYS A 58 1.388 8.437 -12.493 1.00 0.00 C ATOM 814 CD LYS A 58 0.161 8.372 -13.406 1.00 0.00 C ATOM 815 CE LYS A 58 -1.126 8.264 -12.587 1.00 0.00 C ATOM 816 NZ LYS A 58 -2.130 7.447 -13.305 1.00 0.00 N ATOM 0 H LYS A 58 0.630 6.084 -12.296 1.00 0.00 H new ATOM 0 HA LYS A 58 3.491 5.785 -13.035 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.486 8.241 -12.956 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.421 7.573 -14.178 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.143 8.016 -11.518 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.669 9.477 -12.330 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.123 9.262 -14.034 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.245 7.514 -14.073 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.910 7.816 -11.617 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.527 9.259 -12.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.998 7.384 -12.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.348 7.890 -14.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.750 6.492 -13.465 1.00 0.00 H new ATOM 825 N ILE A 59 4.140 5.482 -10.706 1.00 0.00 N ATOM 826 CA ILE A 59 4.672 5.407 -9.356 1.00 0.00 C ATOM 827 C ILE A 59 6.179 5.152 -9.420 1.00 0.00 C ATOM 828 O ILE A 59 6.639 4.049 -9.130 1.00 0.00 O ATOM 829 CB ILE A 59 3.907 4.367 -8.536 1.00 0.00 C ATOM 830 CG1 ILE A 59 2.423 4.727 -8.440 1.00 0.00 C ATOM 831 CG2 ILE A 59 4.542 4.182 -7.156 1.00 0.00 C ATOM 832 CD1 ILE A 59 1.672 3.728 -7.558 1.00 0.00 C ATOM 0 H ILE A 59 4.578 4.846 -11.373 1.00 0.00 H new ATOM 0 HA ILE A 59 4.530 6.355 -8.837 1.00 0.00 H new ATOM 0 HB ILE A 59 3.973 3.409 -9.052 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.315 5.732 -8.031 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.983 4.740 -9.437 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.979 3.437 -6.593 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.573 3.846 -7.272 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.527 5.130 -6.619 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.620 4.007 -7.507 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.762 2.728 -7.983 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.099 3.736 -6.555 1.00 0.00 H new ATOM 843 N PRO A 60 6.927 6.220 -9.811 1.00 0.00 N ATOM 844 CA PRO A 60 8.372 6.123 -9.917 1.00 0.00 C ATOM 845 C PRO A 60 9.024 6.130 -8.532 1.00 0.00 C ATOM 846 O PRO A 60 8.357 6.376 -7.529 1.00 0.00 O ATOM 847 CB PRO A 60 8.785 7.309 -10.772 1.00 0.00 C ATOM 848 CG PRO A 60 7.617 8.281 -10.728 1.00 0.00 C ATOM 849 CD PRO A 60 6.416 7.542 -10.161 1.00 0.00 C ATOM 0 HA PRO A 60 8.698 5.188 -10.372 1.00 0.00 H new ATOM 0 HB2 PRO A 60 9.693 7.772 -10.386 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.996 6.998 -11.795 1.00 0.00 H new ATOM 0 HG2 PRO A 60 7.862 9.144 -10.108 1.00 0.00 H new ATOM 0 HG3 PRO A 60 7.396 8.658 -11.727 1.00 0.00 H new ATOM 0 HD2 PRO A 60 6.012 8.054 -9.288 1.00 0.00 H new ATOM 0 HD3 PRO A 60 5.611 7.475 -10.893 1.00 0.00 H new ATOM 854 N ASP A 61 10.321 5.855 -8.523 1.00 0.00 N ATOM 855 CA ASP A 61 11.071 5.827 -7.278 1.00 0.00 C ATOM 856 C ASP A 61 10.918 7.171 -6.565 1.00 0.00 C ATOM 857 O ASP A 61 10.777 7.217 -5.344 1.00 0.00 O ATOM 858 CB ASP A 61 12.560 5.596 -7.538 1.00 0.00 C ATOM 859 CG ASP A 61 13.063 4.188 -7.213 1.00 0.00 C ATOM 860 OD1 ASP A 61 12.587 3.192 -7.781 1.00 0.00 O ATOM 861 OD2 ASP A 61 13.996 4.133 -6.324 1.00 0.00 O ATOM 0 H ASP A 61 10.871 5.650 -9.357 1.00 0.00 H new ATOM 0 HA ASP A 61 10.681 5.013 -6.667 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.767 5.806 -8.587 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.132 6.314 -6.950 1.00 0.00 H new ATOM 866 N GLU A 62 10.953 8.233 -7.357 1.00 0.00 N ATOM 867 CA GLU A 62 10.820 9.575 -6.817 1.00 0.00 C ATOM 868 C GLU A 62 9.666 9.631 -5.813 1.00 0.00 C ATOM 869 O GLU A 62 9.648 10.487 -4.929 1.00 0.00 O ATOM 870 CB GLU A 62 10.623 10.600 -7.935 1.00 0.00 C ATOM 871 CG GLU A 62 10.588 12.023 -7.375 1.00 0.00 C ATOM 872 CD GLU A 62 11.834 12.808 -7.791 1.00 0.00 C ATOM 873 OE1 GLU A 62 11.720 13.828 -8.486 1.00 0.00 O ATOM 874 OE2 GLU A 62 12.951 12.323 -7.367 1.00 0.00 O ATOM 0 H GLU A 62 11.072 8.191 -8.369 1.00 0.00 H new ATOM 0 HA GLU A 62 11.743 9.828 -6.296 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.431 10.511 -8.661 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.694 10.391 -8.465 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.695 12.536 -7.732 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.522 11.988 -6.288 1.00 0.00 H new ATOM 880 N ASP A 63 8.732 8.706 -5.982 1.00 0.00 N ATOM 881 CA ASP A 63 7.577 8.640 -5.101 1.00 0.00 C ATOM 882 C ASP A 63 7.610 7.323 -4.323 1.00 0.00 C ATOM 883 O ASP A 63 7.290 7.292 -3.135 1.00 0.00 O ATOM 884 CB ASP A 63 6.273 8.686 -5.899 1.00 0.00 C ATOM 885 CG ASP A 63 5.417 9.933 -5.669 1.00 0.00 C ATOM 886 OD1 ASP A 63 5.553 10.940 -6.379 1.00 0.00 O ATOM 887 OD2 ASP A 63 4.570 9.842 -4.701 1.00 0.00 O ATOM 0 H ASP A 63 8.751 7.997 -6.715 1.00 0.00 H new ATOM 0 HA ASP A 63 7.617 9.495 -4.427 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.512 8.618 -6.960 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.680 7.806 -5.649 1.00 0.00 H new ATOM 892 N LEU A 64 7.999 6.268 -5.023 1.00 0.00 N ATOM 893 CA LEU A 64 8.078 4.952 -4.413 1.00 0.00 C ATOM 894 C LEU A 64 8.938 5.032 -3.150 1.00 0.00 C ATOM 895 O LEU A 64 8.842 4.172 -2.275 1.00 0.00 O ATOM 896 CB LEU A 64 8.570 3.919 -5.428 1.00 0.00 C ATOM 897 CG LEU A 64 8.067 2.489 -5.228 1.00 0.00 C ATOM 898 CD1 LEU A 64 8.859 1.777 -4.130 1.00 0.00 C ATOM 899 CD2 LEU A 64 6.561 2.471 -4.952 1.00 0.00 C ATOM 0 H LEU A 64 8.263 6.298 -6.008 1.00 0.00 H new ATOM 0 HA LEU A 64 7.088 4.615 -4.105 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.277 4.250 -6.424 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.660 3.906 -5.404 1.00 0.00 H new ATOM 0 HG LEU A 64 8.232 1.937 -6.153 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.481 0.762 -4.008 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.913 1.741 -4.407 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.749 2.320 -3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.229 1.442 -4.814 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.350 3.045 -4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.031 2.913 -5.796 1.00 0.00 H new ATOM 910 N ALA A 65 9.758 6.071 -3.095 1.00 0.00 N ATOM 911 CA ALA A 65 10.634 6.272 -1.953 1.00 0.00 C ATOM 912 C ALA A 65 9.811 6.777 -0.767 1.00 0.00 C ATOM 913 O ALA A 65 10.014 6.341 0.365 1.00 0.00 O ATOM 914 CB ALA A 65 11.757 7.239 -2.337 1.00 0.00 C ATOM 0 H ALA A 65 9.834 6.782 -3.822 1.00 0.00 H new ATOM 0 HA ALA A 65 11.099 5.332 -1.655 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.415 7.391 -1.481 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.329 6.821 -3.165 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.327 8.194 -2.638 1.00 0.00 H new ATOM 920 N GLY A 66 8.897 7.689 -1.066 1.00 0.00 N ATOM 921 CA GLY A 66 8.042 8.258 -0.038 1.00 0.00 C ATOM 922 C GLY A 66 6.941 7.275 0.364 1.00 0.00 C ATOM 923 O GLY A 66 6.687 7.074 1.551 1.00 0.00 O ATOM 0 H GLY A 66 8.730 8.048 -2.006 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.640 8.517 0.836 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.594 9.182 -0.403 1.00 0.00 H new ATOM 927 N LEU A 67 6.318 6.687 -0.646 1.00 0.00 N ATOM 928 CA LEU A 67 5.250 5.730 -0.412 1.00 0.00 C ATOM 929 C LEU A 67 5.614 4.850 0.786 1.00 0.00 C ATOM 930 O LEU A 67 6.615 4.135 0.755 1.00 0.00 O ATOM 931 CB LEU A 67 4.951 4.939 -1.688 1.00 0.00 C ATOM 932 CG LEU A 67 4.372 5.742 -2.854 1.00 0.00 C ATOM 933 CD1 LEU A 67 3.810 4.814 -3.933 1.00 0.00 C ATOM 934 CD2 LEU A 67 3.330 6.747 -2.363 1.00 0.00 C ATOM 0 H LEU A 67 6.532 6.855 -1.629 1.00 0.00 H new ATOM 0 HA LEU A 67 4.324 6.246 -0.160 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.874 4.464 -2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.253 4.139 -1.441 1.00 0.00 H new ATOM 0 HG LEU A 67 5.180 6.314 -3.310 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.405 5.410 -4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.606 4.172 -4.312 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.019 4.197 -3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.934 7.305 -3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.518 6.216 -1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.794 7.438 -1.659 1.00 0.00 H new ATOM 945 N ARG A 68 4.780 4.930 1.812 1.00 0.00 N ATOM 946 CA ARG A 68 5.001 4.150 3.018 1.00 0.00 C ATOM 947 C ARG A 68 3.934 3.062 3.149 1.00 0.00 C ATOM 948 O ARG A 68 4.232 1.942 3.563 1.00 0.00 O ATOM 949 CB ARG A 68 4.968 5.039 4.263 1.00 0.00 C ATOM 950 CG ARG A 68 6.358 5.147 4.896 1.00 0.00 C ATOM 951 CD ARG A 68 6.340 4.654 6.345 1.00 0.00 C ATOM 952 NE ARG A 68 7.428 5.299 7.113 1.00 0.00 N ATOM 953 CZ ARG A 68 7.361 6.552 7.611 1.00 0.00 C ATOM 954 NH1 ARG A 68 6.257 7.305 7.426 1.00 0.00 N ATOM 955 NH2 ARG A 68 8.393 7.029 8.282 1.00 0.00 N ATOM 0 H ARG A 68 3.950 5.523 1.833 1.00 0.00 H new ATOM 0 HA ARG A 68 5.986 3.690 2.940 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.608 6.032 3.996 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.265 4.630 4.988 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.072 4.561 4.317 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.697 6.183 4.865 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.377 4.880 6.803 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.458 3.571 6.371 1.00 0.00 H new ATOM 0 HE ARG A 68 8.281 4.764 7.276 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.464 6.929 6.906 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.215 8.251 7.806 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.224 6.453 8.417 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.360 7.974 8.665 1.00 0.00 H new ATOM 964 N THR A 69 2.712 3.429 2.789 1.00 0.00 N ATOM 965 CA THR A 69 1.600 2.498 2.861 1.00 0.00 C ATOM 966 C THR A 69 0.806 2.513 1.554 1.00 0.00 C ATOM 967 O THR A 69 1.024 3.372 0.701 1.00 0.00 O ATOM 968 CB THR A 69 0.758 2.860 4.087 1.00 0.00 C ATOM 969 OG1 THR A 69 0.436 4.235 3.893 1.00 0.00 O ATOM 970 CG2 THR A 69 1.575 2.848 5.382 1.00 0.00 C ATOM 0 H THR A 69 2.469 4.359 2.447 1.00 0.00 H new ATOM 0 HA THR A 69 1.951 1.473 2.980 1.00 0.00 H new ATOM 0 HB THR A 69 -0.074 2.161 4.176 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.111 4.552 4.642 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.931 3.111 6.221 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.990 1.853 5.541 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.387 3.571 5.307 1.00 0.00 H new ATOM 978 N VAL A 70 -0.099 1.552 1.436 1.00 0.00 N ATOM 979 CA VAL A 70 -0.926 1.443 0.247 1.00 0.00 C ATOM 980 C VAL A 70 -1.676 2.760 0.031 1.00 0.00 C ATOM 981 O VAL A 70 -1.645 3.325 -1.060 1.00 0.00 O ATOM 982 CB VAL A 70 -1.859 0.237 0.366 1.00 0.00 C ATOM 983 CG1 VAL A 70 -2.500 -0.096 -0.982 1.00 0.00 C ATOM 984 CG2 VAL A 70 -1.117 -0.975 0.934 1.00 0.00 C ATOM 0 H VAL A 70 -0.277 0.841 2.146 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.307 1.272 -0.634 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.657 0.498 1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.158 -0.957 -0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.078 0.759 -1.331 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.721 -0.328 -1.708 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.803 -1.819 1.009 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.289 -1.237 0.275 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.730 -0.733 1.924 1.00 0.00 H new ATOM 994 N GLY A 71 -2.333 3.209 1.091 1.00 0.00 N ATOM 995 CA GLY A 71 -3.090 4.448 1.032 1.00 0.00 C ATOM 996 C GLY A 71 -2.292 5.545 0.323 1.00 0.00 C ATOM 997 O GLY A 71 -2.867 6.399 -0.351 1.00 0.00 O ATOM 0 H GLY A 71 -2.357 2.737 1.995 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.030 4.279 0.506 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.343 4.772 2.041 1.00 0.00 H new ATOM 1001 N ASP A 72 -0.980 5.485 0.497 1.00 0.00 N ATOM 1002 CA ASP A 72 -0.098 6.462 -0.117 1.00 0.00 C ATOM 1003 C ASP A 72 0.256 6.004 -1.533 1.00 0.00 C ATOM 1004 O ASP A 72 0.414 6.824 -2.435 1.00 0.00 O ATOM 1005 CB ASP A 72 1.204 6.603 0.674 1.00 0.00 C ATOM 1006 CG ASP A 72 1.810 8.009 0.675 1.00 0.00 C ATOM 1007 OD1 ASP A 72 3.035 8.175 0.773 1.00 0.00 O ATOM 1008 OD2 ASP A 72 0.958 8.971 0.569 1.00 0.00 O ATOM 0 H ASP A 72 -0.507 4.774 1.055 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.616 7.421 -0.132 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.020 6.302 1.705 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.937 5.908 0.265 1.00 0.00 H new ATOM 1013 N VAL A 73 0.372 4.692 -1.685 1.00 0.00 N ATOM 1014 CA VAL A 73 0.704 4.114 -2.975 1.00 0.00 C ATOM 1015 C VAL A 73 -0.535 4.129 -3.872 1.00 0.00 C ATOM 1016 O VAL A 73 -0.441 3.882 -5.073 1.00 0.00 O ATOM 1017 CB VAL A 73 1.287 2.711 -2.785 1.00 0.00 C ATOM 1018 CG1 VAL A 73 1.869 2.178 -4.097 1.00 0.00 C ATOM 1019 CG2 VAL A 73 2.338 2.701 -1.674 1.00 0.00 C ATOM 0 H VAL A 73 0.242 4.013 -0.935 1.00 0.00 H new ATOM 0 HA VAL A 73 1.472 4.707 -3.472 1.00 0.00 H new ATOM 0 HB VAL A 73 0.476 2.048 -2.484 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.277 1.180 -3.935 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.083 2.131 -4.851 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.662 2.843 -4.440 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.736 1.693 -1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.147 3.384 -1.933 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.880 3.019 -0.737 1.00 0.00 H new ATOM 1029 N VAL A 74 -1.669 4.423 -3.252 1.00 0.00 N ATOM 1030 CA VAL A 74 -2.928 4.474 -3.979 1.00 0.00 C ATOM 1031 C VAL A 74 -3.282 5.933 -4.275 1.00 0.00 C ATOM 1032 O VAL A 74 -3.453 6.310 -5.434 1.00 0.00 O ATOM 1033 CB VAL A 74 -4.016 3.742 -3.193 1.00 0.00 C ATOM 1034 CG1 VAL A 74 -5.386 3.929 -3.849 1.00 0.00 C ATOM 1035 CG2 VAL A 74 -3.679 2.258 -3.041 1.00 0.00 C ATOM 0 H VAL A 74 -1.743 4.628 -2.256 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.838 3.961 -4.936 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.060 4.179 -2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.142 3.398 -3.270 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.632 4.990 -3.881 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.361 3.532 -4.864 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.469 1.761 -2.478 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.594 1.801 -4.027 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.733 2.152 -2.509 1.00 0.00 H new ATOM 1045 N ALA A 75 -3.379 6.713 -3.209 1.00 0.00 N ATOM 1046 CA ALA A 75 -3.708 8.122 -3.341 1.00 0.00 C ATOM 1047 C ALA A 75 -2.877 8.733 -4.470 1.00 0.00 C ATOM 1048 O ALA A 75 -3.425 9.330 -5.396 1.00 0.00 O ATOM 1049 CB ALA A 75 -3.481 8.826 -2.001 1.00 0.00 C ATOM 0 H ALA A 75 -3.236 6.396 -2.250 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.759 8.248 -3.602 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.728 9.883 -2.099 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.117 8.374 -1.240 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.436 8.723 -1.708 1.00 0.00 H new ATOM 1055 N TYR A 76 -1.567 8.564 -4.356 1.00 0.00 N ATOM 1056 CA TYR A 76 -0.655 9.092 -5.355 1.00 0.00 C ATOM 1057 C TYR A 76 -1.124 8.737 -6.768 1.00 0.00 C ATOM 1058 O TYR A 76 -0.780 9.421 -7.730 1.00 0.00 O ATOM 1059 CB TYR A 76 0.693 8.417 -5.093 1.00 0.00 C ATOM 1060 CG TYR A 76 1.779 8.783 -6.107 1.00 0.00 C ATOM 1061 CD1 TYR A 76 1.676 9.949 -6.839 1.00 0.00 C ATOM 1062 CD2 TYR A 76 2.862 7.948 -6.290 1.00 0.00 C ATOM 1063 CE1 TYR A 76 2.698 10.294 -7.793 1.00 0.00 C ATOM 1064 CE2 TYR A 76 3.885 8.293 -7.244 1.00 0.00 C ATOM 1065 CZ TYR A 76 3.753 9.448 -7.948 1.00 0.00 C ATOM 1066 OH TYR A 76 4.717 9.774 -8.849 1.00 0.00 O ATOM 0 H TYR A 76 -1.116 8.069 -3.587 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.599 10.178 -5.288 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.036 8.689 -4.095 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.554 7.336 -5.099 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.828 10.603 -6.696 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.943 7.036 -5.718 1.00 0.00 H new ATOM 0 HE1 TYR A 76 2.629 11.203 -8.372 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.738 7.648 -7.396 1.00 0.00 H new ATOM 0 HH TYR A 76 5.403 10.320 -8.411 1.00 0.00 H new ATOM 1075 N ILE A 77 -1.902 7.667 -6.848 1.00 0.00 N ATOM 1076 CA ILE A 77 -2.422 7.213 -8.126 1.00 0.00 C ATOM 1077 C ILE A 77 -3.692 7.996 -8.462 1.00 0.00 C ATOM 1078 O ILE A 77 -3.704 8.793 -9.398 1.00 0.00 O ATOM 1079 CB ILE A 77 -2.619 5.696 -8.116 1.00 0.00 C ATOM 1080 CG1 ILE A 77 -1.412 4.990 -7.492 1.00 0.00 C ATOM 1081 CG2 ILE A 77 -2.926 5.173 -9.520 1.00 0.00 C ATOM 1082 CD1 ILE A 77 -1.595 3.471 -7.513 1.00 0.00 C ATOM 0 H ILE A 77 -2.185 7.101 -6.048 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.704 7.412 -8.922 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.483 5.468 -7.492 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.507 5.259 -8.037 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.278 5.330 -6.465 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.061 4.092 -9.484 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.838 5.641 -9.891 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.098 5.413 -10.187 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.724 2.993 -7.064 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.487 3.204 -6.947 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.704 3.132 -8.543 1.00 0.00 H new ATOM 1093 N GLN A 78 -4.731 7.741 -7.680 1.00 0.00 N ATOM 1094 CA GLN A 78 -6.004 8.412 -7.883 1.00 0.00 C ATOM 1095 C GLN A 78 -5.830 9.927 -7.764 1.00 0.00 C ATOM 1096 O GLN A 78 -6.102 10.663 -8.712 1.00 0.00 O ATOM 1097 CB GLN A 78 -7.056 7.902 -6.897 1.00 0.00 C ATOM 1098 CG GLN A 78 -7.448 6.456 -7.211 1.00 0.00 C ATOM 1099 CD GLN A 78 -8.475 5.935 -6.205 1.00 0.00 C ATOM 1100 OE1 GLN A 78 -9.603 6.396 -6.135 1.00 0.00 O ATOM 1101 NE2 GLN A 78 -8.024 4.952 -5.431 1.00 0.00 N ATOM 0 H GLN A 78 -4.717 7.079 -6.904 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.356 8.184 -8.889 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.667 7.964 -5.881 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -7.939 8.539 -6.940 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.859 6.398 -8.219 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.561 5.823 -7.191 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -7.068 4.613 -5.542 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -8.634 4.537 -4.726 1.00 0.00 H new ATOM 1108 N LYS A 79 -5.377 10.349 -6.592 1.00 0.00 N ATOM 1109 CA LYS A 79 -5.164 11.763 -6.337 1.00 0.00 C ATOM 1110 C LYS A 79 -4.505 12.404 -7.561 1.00 0.00 C ATOM 1111 O LYS A 79 -4.812 13.543 -7.910 1.00 0.00 O ATOM 1112 CB LYS A 79 -4.377 11.961 -5.041 1.00 0.00 C ATOM 1113 CG LYS A 79 -5.034 11.210 -3.880 1.00 0.00 C ATOM 1114 CD LYS A 79 -4.539 11.742 -2.534 1.00 0.00 C ATOM 1115 CE LYS A 79 -5.145 13.113 -2.229 1.00 0.00 C ATOM 1116 NZ LYS A 79 -4.084 14.080 -1.866 1.00 0.00 N ATOM 0 H LYS A 79 -5.152 9.736 -5.809 1.00 0.00 H new ATOM 0 HA LYS A 79 -6.117 12.270 -6.185 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.354 11.608 -5.175 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.319 13.024 -4.805 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.117 11.315 -3.941 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.812 10.146 -3.958 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.802 11.040 -1.743 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.452 11.816 -2.546 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.694 13.476 -3.098 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.862 13.027 -1.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.513 15.005 -1.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.578 13.740 -1.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.415 14.175 -2.657 1.00 0.00 H new