USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 608 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 65 HIS : no HE2:sc= -3.09 K(o=-2.6,f=-4.9!) USER MOD Set 1.2: A 71 SER OG : rot -84:sc= 0.445 USER MOD Single : A 1 MET CE :methyl 158:sc= -0.146 (180deg=-1.2) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.0922) USER MOD Single : A 2 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.37) USER MOD Single : A 3 HIS :FLIP no HD1:sc= -0.172 F(o=-0.83,f=-0.17) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN :FLIP amide:sc= -5.43! C(o=-6.1!,f=-5.4!) USER MOD Single : A 33 ASN :FLIP amide:sc= -3.04! C(o=-5.9!,f=-3!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -164:sc= -0.0263 (180deg=-0.356) USER MOD Single : A 62 SER OG : rot 180:sc= -0.364 USER MOD Single : A 68 SER OG : rot -43:sc= 0.545 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.387 13.791 -0.392 1.00 0.00 N ATOM 2 CA MET A 1 0.439 12.601 0.504 1.00 0.00 C ATOM 3 C MET A 1 -0.777 12.591 1.427 1.00 0.00 C ATOM 4 O MET A 1 -0.673 12.843 2.610 1.00 0.00 O ATOM 5 CB MET A 1 1.717 12.646 1.341 1.00 0.00 C ATOM 6 CG MET A 1 2.908 12.280 0.458 1.00 0.00 C ATOM 7 SD MET A 1 4.421 12.271 1.451 1.00 0.00 S ATOM 8 CE MET A 1 4.090 10.747 2.370 1.00 0.00 C ATOM 0 H1 MET A 1 1.118 13.705 -1.126 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.549 13.847 -0.841 1.00 0.00 H new ATOM 0 H3 MET A 1 0.556 14.653 0.165 1.00 0.00 H new ATOM 0 HA MET A 1 0.434 11.696 -0.103 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.854 13.641 1.764 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.643 11.952 2.178 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.751 11.300 0.007 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.001 12.996 -0.359 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.028 10.337 2.745 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.428 10.964 3.208 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.615 10.021 1.711 1.00 0.00 H new ATOM 20 N GLN A 2 -1.927 12.289 0.895 1.00 0.00 N ATOM 21 CA GLN A 2 -3.148 12.248 1.746 1.00 0.00 C ATOM 22 C GLN A 2 -3.268 10.855 2.360 1.00 0.00 C ATOM 23 O GLN A 2 -3.288 9.860 1.662 1.00 0.00 O ATOM 24 CB GLN A 2 -4.382 12.540 0.888 1.00 0.00 C ATOM 25 CG GLN A 2 -4.238 13.916 0.237 1.00 0.00 C ATOM 26 CD GLN A 2 -4.088 14.983 1.323 1.00 0.00 C ATOM 27 OE1 GLN A 2 -4.863 15.027 2.259 1.00 0.00 O ATOM 28 NE2 GLN A 2 -3.117 15.851 1.240 1.00 0.00 N ATOM 0 H GLN A 2 -2.075 12.069 -0.090 1.00 0.00 H new ATOM 0 HA GLN A 2 -3.078 12.998 2.534 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -4.494 11.773 0.121 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -5.281 12.510 1.503 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -3.370 13.929 -0.422 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -5.110 14.131 -0.380 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -2.466 15.815 0.455 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -3.009 16.565 1.960 1.00 0.00 H new ATOM 37 N HIS A 3 -3.337 10.768 3.659 1.00 0.00 N ATOM 38 CA HIS A 3 -3.441 9.430 4.303 1.00 0.00 C ATOM 39 C HIS A 3 -2.280 8.561 3.816 1.00 0.00 C ATOM 40 O HIS A 3 -2.291 7.355 3.954 1.00 0.00 O ATOM 41 CB HIS A 3 -4.767 8.778 3.905 1.00 0.00 C ATOM 42 CG HIS A 3 -5.858 9.814 3.903 1.00 0.00 C ATOM 43 ND1 HIS A 3 -6.436 10.534 2.885 1.00 0.00 N flip ATOM 44 CD2 HIS A 3 -6.491 10.228 5.067 1.00 0.00 C flip ATOM 45 CE1 HIS A 3 -7.408 11.378 3.408 1.00 0.00 C flip ATOM 46 NE2 HIS A 3 -7.403 11.157 4.724 1.00 0.00 N flip ATOM 0 H HIS A 3 -3.326 11.562 4.300 1.00 0.00 H new ATOM 0 HA HIS A 3 -3.401 9.532 5.387 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.679 8.326 2.917 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.014 7.977 4.602 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -6.289 9.870 6.066 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.036 12.068 2.864 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -8.014 11.633 5.388 1.00 0.00 H new ATOM 55 N ALA A 4 -1.281 9.172 3.236 1.00 0.00 N ATOM 56 CA ALA A 4 -0.117 8.395 2.722 1.00 0.00 C ATOM 57 C ALA A 4 0.617 7.713 3.881 1.00 0.00 C ATOM 58 O ALA A 4 1.064 6.590 3.767 1.00 0.00 O ATOM 59 CB ALA A 4 0.845 9.344 2.006 1.00 0.00 C ATOM 0 H ALA A 4 -1.222 10.181 3.096 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.475 7.633 2.030 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.698 8.780 1.628 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.330 9.824 1.174 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.193 10.105 2.705 1.00 0.00 H new ATOM 65 N SER A 5 0.757 8.386 4.989 1.00 0.00 N ATOM 66 CA SER A 5 1.476 7.776 6.144 1.00 0.00 C ATOM 67 C SER A 5 0.758 6.505 6.600 1.00 0.00 C ATOM 68 O SER A 5 1.381 5.522 6.948 1.00 0.00 O ATOM 69 CB SER A 5 1.525 8.775 7.299 1.00 0.00 C ATOM 70 OG SER A 5 2.091 9.996 6.840 1.00 0.00 O ATOM 0 H SER A 5 0.406 9.331 5.145 1.00 0.00 H new ATOM 0 HA SER A 5 2.490 7.520 5.836 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.521 8.949 7.687 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.118 8.371 8.119 1.00 0.00 H new ATOM 0 HG SER A 5 2.122 10.640 7.578 1.00 0.00 H new ATOM 76 N VAL A 6 -0.544 6.513 6.602 1.00 0.00 N ATOM 77 CA VAL A 6 -1.292 5.301 7.036 1.00 0.00 C ATOM 78 C VAL A 6 -1.019 4.161 6.056 1.00 0.00 C ATOM 79 O VAL A 6 -0.907 3.013 6.432 1.00 0.00 O ATOM 80 CB VAL A 6 -2.789 5.605 7.063 1.00 0.00 C ATOM 81 CG1 VAL A 6 -3.568 4.316 7.331 1.00 0.00 C ATOM 82 CG2 VAL A 6 -3.081 6.618 8.171 1.00 0.00 C ATOM 0 H VAL A 6 -1.123 7.305 6.322 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.966 5.010 8.035 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.094 6.018 6.102 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.636 4.534 7.350 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.359 3.594 6.542 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.265 3.901 8.292 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.149 6.836 8.192 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.776 6.204 9.132 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.526 7.537 7.980 1.00 0.00 H new ATOM 92 N ILE A 7 -0.923 4.473 4.798 1.00 0.00 N ATOM 93 CA ILE A 7 -0.666 3.417 3.781 1.00 0.00 C ATOM 94 C ILE A 7 0.705 2.775 4.008 1.00 0.00 C ATOM 95 O ILE A 7 0.881 1.589 3.809 1.00 0.00 O ATOM 96 CB ILE A 7 -0.718 4.045 2.391 1.00 0.00 C ATOM 97 CG1 ILE A 7 -2.120 4.615 2.156 1.00 0.00 C ATOM 98 CG2 ILE A 7 -0.412 2.982 1.335 1.00 0.00 C ATOM 99 CD1 ILE A 7 -2.155 5.377 0.832 1.00 0.00 C ATOM 0 H ILE A 7 -1.012 5.419 4.426 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.427 2.642 3.869 1.00 0.00 H new ATOM 0 HB ILE A 7 0.022 4.842 2.318 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.853 3.808 2.141 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.394 5.279 2.976 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.450 3.433 0.343 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.583 2.572 1.509 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.150 2.183 1.399 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.155 5.780 0.670 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.435 6.195 0.864 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.900 4.701 0.016 1.00 0.00 H new ATOM 111 N ALA A 8 1.683 3.541 4.410 1.00 0.00 N ATOM 112 CA ALA A 8 3.036 2.952 4.629 1.00 0.00 C ATOM 113 C ALA A 8 2.982 1.919 5.755 1.00 0.00 C ATOM 114 O ALA A 8 3.426 0.798 5.600 1.00 0.00 O ATOM 115 CB ALA A 8 4.020 4.061 5.006 1.00 0.00 C ATOM 0 H ALA A 8 1.606 4.541 4.595 1.00 0.00 H new ATOM 0 HA ALA A 8 3.364 2.464 3.711 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.009 3.631 5.166 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.069 4.793 4.200 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.684 4.550 5.921 1.00 0.00 H new ATOM 121 N GLN A 9 2.436 2.276 6.881 1.00 0.00 N ATOM 122 CA GLN A 9 2.353 1.297 8.000 1.00 0.00 C ATOM 123 C GLN A 9 1.323 0.219 7.659 1.00 0.00 C ATOM 124 O GLN A 9 1.489 -0.938 7.984 1.00 0.00 O ATOM 125 CB GLN A 9 1.972 2.017 9.302 1.00 0.00 C ATOM 126 CG GLN A 9 0.459 2.213 9.374 1.00 0.00 C ATOM 127 CD GLN A 9 -0.204 0.932 9.884 1.00 0.00 C ATOM 128 OE1 GLN A 9 -1.337 0.546 9.362 1.00 0.00 O flip ATOM 129 NE2 GLN A 9 0.312 0.275 10.766 1.00 0.00 N flip ATOM 0 H GLN A 9 2.045 3.198 7.076 1.00 0.00 H new ATOM 0 HA GLN A 9 3.325 0.824 8.142 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.312 1.437 10.160 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.474 2.983 9.352 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.222 3.045 10.037 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.069 2.469 8.389 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.197 0.575 11.175 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -0.140 -0.577 11.098 1.00 0.00 H new ATOM 138 N PHE A 10 0.256 0.595 7.008 1.00 0.00 N ATOM 139 CA PHE A 10 -0.795 -0.399 6.649 1.00 0.00 C ATOM 140 C PHE A 10 -0.237 -1.410 5.645 1.00 0.00 C ATOM 141 O PHE A 10 -0.342 -2.606 5.830 1.00 0.00 O ATOM 142 CB PHE A 10 -1.985 0.336 6.028 1.00 0.00 C ATOM 143 CG PHE A 10 -3.137 -0.619 5.834 1.00 0.00 C ATOM 144 CD1 PHE A 10 -3.320 -1.256 4.601 1.00 0.00 C ATOM 145 CD2 PHE A 10 -4.028 -0.861 6.886 1.00 0.00 C ATOM 146 CE1 PHE A 10 -4.396 -2.133 4.420 1.00 0.00 C ATOM 147 CE2 PHE A 10 -5.103 -1.739 6.706 1.00 0.00 C ATOM 148 CZ PHE A 10 -5.287 -2.375 5.472 1.00 0.00 C ATOM 0 H PHE A 10 0.066 1.551 6.708 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.114 -0.930 7.546 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.290 1.161 6.672 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.696 0.769 5.071 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.631 -1.071 3.790 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.886 -0.370 7.837 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.539 -2.623 3.468 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.790 -1.926 7.518 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.116 -3.052 5.332 1.00 0.00 H new ATOM 158 N VAL A 11 0.353 -0.940 4.582 1.00 0.00 N ATOM 159 CA VAL A 11 0.912 -1.879 3.569 1.00 0.00 C ATOM 160 C VAL A 11 2.114 -2.619 4.163 1.00 0.00 C ATOM 161 O VAL A 11 2.278 -3.808 3.974 1.00 0.00 O ATOM 162 CB VAL A 11 1.349 -1.096 2.328 1.00 0.00 C ATOM 163 CG1 VAL A 11 2.681 -0.397 2.600 1.00 0.00 C ATOM 164 CG2 VAL A 11 1.513 -2.061 1.152 1.00 0.00 C ATOM 0 H VAL A 11 0.472 0.051 4.371 1.00 0.00 H new ATOM 0 HA VAL A 11 0.148 -2.603 3.286 1.00 0.00 H new ATOM 0 HB VAL A 11 0.593 -0.349 2.088 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.988 0.159 1.714 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.567 0.290 3.438 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.440 -1.141 2.842 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.824 -1.506 0.267 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.269 -2.808 1.397 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.563 -2.558 0.954 1.00 0.00 H new ATOM 174 N VAL A 12 2.955 -1.926 4.881 1.00 0.00 N ATOM 175 CA VAL A 12 4.142 -2.591 5.488 1.00 0.00 C ATOM 176 C VAL A 12 3.679 -3.622 6.518 1.00 0.00 C ATOM 177 O VAL A 12 4.234 -4.698 6.626 1.00 0.00 O ATOM 178 CB VAL A 12 5.025 -1.545 6.167 1.00 0.00 C ATOM 179 CG1 VAL A 12 6.206 -2.237 6.846 1.00 0.00 C ATOM 180 CG2 VAL A 12 5.548 -0.559 5.120 1.00 0.00 C ATOM 0 H VAL A 12 2.871 -0.928 5.073 1.00 0.00 H new ATOM 0 HA VAL A 12 4.715 -3.092 4.708 1.00 0.00 H new ATOM 0 HB VAL A 12 4.440 -1.007 6.913 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.836 -1.491 7.330 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.836 -2.939 7.593 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.790 -2.776 6.100 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.178 0.187 5.605 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.132 -1.097 4.373 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.707 -0.064 4.635 1.00 0.00 H new ATOM 190 N GLU A 13 2.663 -3.302 7.273 1.00 0.00 N ATOM 191 CA GLU A 13 2.162 -4.259 8.303 1.00 0.00 C ATOM 192 C GLU A 13 1.812 -5.592 7.642 1.00 0.00 C ATOM 193 O GLU A 13 1.877 -6.636 8.258 1.00 0.00 O ATOM 194 CB GLU A 13 0.917 -3.685 8.976 1.00 0.00 C ATOM 195 CG GLU A 13 0.472 -4.614 10.103 1.00 0.00 C ATOM 196 CD GLU A 13 -0.834 -4.095 10.709 1.00 0.00 C ATOM 197 OE1 GLU A 13 -1.331 -3.092 10.223 1.00 0.00 O ATOM 198 OE2 GLU A 13 -1.314 -4.708 11.647 1.00 0.00 O ATOM 0 H GLU A 13 2.157 -2.418 7.221 1.00 0.00 H new ATOM 0 HA GLU A 13 2.939 -4.418 9.051 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.130 -2.692 9.372 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.116 -3.572 8.246 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.331 -5.625 9.721 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.245 -4.668 10.870 1.00 0.00 H new ATOM 205 N GLU A 14 1.444 -5.566 6.391 1.00 0.00 N ATOM 206 CA GLU A 14 1.094 -6.835 5.698 1.00 0.00 C ATOM 207 C GLU A 14 2.347 -7.711 5.608 1.00 0.00 C ATOM 208 O GLU A 14 2.272 -8.924 5.595 1.00 0.00 O ATOM 209 CB GLU A 14 0.583 -6.517 4.290 1.00 0.00 C ATOM 210 CG GLU A 14 -0.692 -5.678 4.384 1.00 0.00 C ATOM 211 CD GLU A 14 -1.215 -5.389 2.976 1.00 0.00 C ATOM 212 OE1 GLU A 14 -2.249 -4.751 2.869 1.00 0.00 O ATOM 213 OE2 GLU A 14 -0.573 -5.811 2.029 1.00 0.00 O ATOM 0 H GLU A 14 1.371 -4.723 5.821 1.00 0.00 H new ATOM 0 HA GLU A 14 0.317 -7.363 6.251 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.345 -5.977 3.729 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.383 -7.441 3.747 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.448 -6.209 4.963 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.488 -4.744 4.907 1.00 0.00 H new ATOM 220 N PHE A 15 3.501 -7.100 5.554 1.00 0.00 N ATOM 221 CA PHE A 15 4.766 -7.884 5.475 1.00 0.00 C ATOM 222 C PHE A 15 5.895 -7.080 6.128 1.00 0.00 C ATOM 223 O PHE A 15 6.956 -6.910 5.564 1.00 0.00 O ATOM 224 CB PHE A 15 5.107 -8.155 4.004 1.00 0.00 C ATOM 225 CG PHE A 15 5.523 -6.867 3.331 1.00 0.00 C ATOM 226 CD1 PHE A 15 6.875 -6.621 3.058 1.00 0.00 C ATOM 227 CD2 PHE A 15 4.558 -5.917 2.985 1.00 0.00 C ATOM 228 CE1 PHE A 15 7.258 -5.425 2.439 1.00 0.00 C ATOM 229 CE2 PHE A 15 4.939 -4.721 2.366 1.00 0.00 C ATOM 230 CZ PHE A 15 6.290 -4.474 2.093 1.00 0.00 C ATOM 0 H PHE A 15 3.621 -6.087 5.561 1.00 0.00 H new ATOM 0 HA PHE A 15 4.646 -8.834 5.996 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.911 -8.888 3.936 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.243 -8.581 3.493 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.622 -7.354 3.325 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.516 -6.106 3.196 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.300 -5.236 2.228 1.00 0.00 H new ATOM 0 HE2 PHE A 15 4.191 -3.989 2.099 1.00 0.00 H new ATOM 0 HZ PHE A 15 6.585 -3.551 1.616 1.00 0.00 H new ATOM 240 N LEU A 16 5.673 -6.571 7.311 1.00 0.00 N ATOM 241 CA LEU A 16 6.732 -5.768 7.978 1.00 0.00 C ATOM 242 C LEU A 16 7.778 -6.691 8.618 1.00 0.00 C ATOM 243 O LEU A 16 7.442 -7.672 9.247 1.00 0.00 O ATOM 244 CB LEU A 16 6.098 -4.857 9.045 1.00 0.00 C ATOM 245 CG LEU A 16 5.806 -5.625 10.341 1.00 0.00 C ATOM 246 CD1 LEU A 16 5.258 -4.649 11.384 1.00 0.00 C ATOM 247 CD2 LEU A 16 4.760 -6.712 10.077 1.00 0.00 C ATOM 0 H LEU A 16 4.807 -6.677 7.840 1.00 0.00 H new ATOM 0 HA LEU A 16 7.231 -5.149 7.233 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.768 -4.024 9.258 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.173 -4.431 8.657 1.00 0.00 H new ATOM 0 HG LEU A 16 6.724 -6.088 10.703 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.047 -5.186 12.309 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.996 -3.870 11.576 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.340 -4.195 11.011 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.557 -7.254 11.001 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.840 -6.252 9.717 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.137 -7.405 9.325 1.00 0.00 H new ATOM 259 N PRO A 17 9.042 -6.374 8.479 1.00 0.00 N ATOM 260 CA PRO A 17 10.129 -7.190 9.081 1.00 0.00 C ATOM 261 C PRO A 17 10.169 -6.994 10.600 1.00 0.00 C ATOM 262 O PRO A 17 9.172 -6.676 11.216 1.00 0.00 O ATOM 263 CB PRO A 17 11.401 -6.644 8.421 1.00 0.00 C ATOM 264 CG PRO A 17 11.070 -5.239 8.044 1.00 0.00 C ATOM 265 CD PRO A 17 9.577 -5.212 7.744 1.00 0.00 C ATOM 0 HA PRO A 17 10.000 -8.260 8.919 1.00 0.00 H new ATOM 0 HB2 PRO A 17 12.247 -6.679 9.107 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.675 -7.233 7.546 1.00 0.00 H new ATOM 0 HG2 PRO A 17 11.315 -4.552 8.854 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.646 -4.925 7.174 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.119 -4.282 8.081 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.384 -5.293 6.674 1.00 0.00 H new ATOM 273 N ASP A 18 11.304 -7.165 11.209 1.00 0.00 N ATOM 274 CA ASP A 18 11.392 -6.969 12.677 1.00 0.00 C ATOM 275 C ASP A 18 11.519 -5.472 12.968 1.00 0.00 C ATOM 276 O ASP A 18 11.854 -5.065 14.062 1.00 0.00 O ATOM 277 CB ASP A 18 12.618 -7.710 13.213 1.00 0.00 C ATOM 278 CG ASP A 18 13.891 -7.110 12.609 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.936 -7.724 12.753 1.00 0.00 O ATOM 280 OD2 ASP A 18 13.802 -6.050 12.012 1.00 0.00 O ATOM 0 H ASP A 18 12.176 -7.433 10.753 1.00 0.00 H new ATOM 0 HA ASP A 18 10.498 -7.361 13.163 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.651 -7.638 14.300 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.551 -8.769 12.965 1.00 0.00 H new ATOM 285 N VAL A 19 11.262 -4.653 11.981 1.00 0.00 N ATOM 286 CA VAL A 19 11.375 -3.179 12.172 1.00 0.00 C ATOM 287 C VAL A 19 9.992 -2.532 12.065 1.00 0.00 C ATOM 288 O VAL A 19 9.213 -2.854 11.192 1.00 0.00 O ATOM 289 CB VAL A 19 12.275 -2.605 11.080 1.00 0.00 C ATOM 290 CG1 VAL A 19 12.509 -1.116 11.340 1.00 0.00 C ATOM 291 CG2 VAL A 19 13.617 -3.342 11.085 1.00 0.00 C ATOM 0 H VAL A 19 10.977 -4.945 11.046 1.00 0.00 H new ATOM 0 HA VAL A 19 11.795 -2.974 13.156 1.00 0.00 H new ATOM 0 HB VAL A 19 11.794 -2.732 10.110 1.00 0.00 H new ATOM 0 HG11 VAL A 19 13.151 -0.707 10.560 1.00 0.00 H new ATOM 0 HG12 VAL A 19 11.554 -0.591 11.335 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.989 -0.987 12.310 1.00 0.00 H new ATOM 0 HG21 VAL A 19 14.260 -2.933 10.306 1.00 0.00 H new ATOM 0 HG22 VAL A 19 14.098 -3.216 12.055 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.450 -4.403 10.898 1.00 0.00 H new ATOM 301 N ALA A 20 9.686 -1.614 12.941 1.00 0.00 N ATOM 302 CA ALA A 20 8.359 -0.940 12.876 1.00 0.00 C ATOM 303 C ALA A 20 8.363 0.064 11.712 1.00 0.00 C ATOM 304 O ALA A 20 9.348 0.742 11.492 1.00 0.00 O ATOM 305 CB ALA A 20 8.108 -0.193 14.188 1.00 0.00 C ATOM 0 H ALA A 20 10.296 -1.303 13.697 1.00 0.00 H new ATOM 0 HA ALA A 20 7.575 -1.681 12.721 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.138 0.302 14.145 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.118 -0.900 15.017 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.889 0.552 14.338 1.00 0.00 H new ATOM 311 N PRO A 21 7.281 0.182 10.972 1.00 0.00 N ATOM 312 CA PRO A 21 7.207 1.146 9.836 1.00 0.00 C ATOM 313 C PRO A 21 7.694 2.537 10.246 1.00 0.00 C ATOM 314 O PRO A 21 8.252 3.273 9.457 1.00 0.00 O ATOM 315 CB PRO A 21 5.718 1.197 9.490 1.00 0.00 C ATOM 316 CG PRO A 21 5.142 -0.089 9.980 1.00 0.00 C ATOM 317 CD PRO A 21 6.027 -0.579 11.126 1.00 0.00 C ATOM 0 HA PRO A 21 7.836 0.838 9.001 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.235 2.049 9.968 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.570 1.308 8.416 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.117 0.055 10.321 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.110 -0.826 9.177 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.564 -0.390 12.094 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.203 -1.653 11.061 1.00 0.00 H new ATOM 325 N ALA A 22 7.490 2.893 11.482 1.00 0.00 N ATOM 326 CA ALA A 22 7.939 4.227 11.967 1.00 0.00 C ATOM 327 C ALA A 22 9.468 4.278 11.972 1.00 0.00 C ATOM 328 O ALA A 22 10.066 5.336 11.945 1.00 0.00 O ATOM 329 CB ALA A 22 7.418 4.442 13.388 1.00 0.00 C ATOM 0 H ALA A 22 7.028 2.313 12.183 1.00 0.00 H new ATOM 0 HA ALA A 22 7.553 5.007 11.311 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.743 5.417 13.751 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.329 4.399 13.387 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.811 3.663 14.041 1.00 0.00 H new ATOM 335 N ASP A 23 10.102 3.140 12.009 1.00 0.00 N ATOM 336 CA ASP A 23 11.591 3.110 12.018 1.00 0.00 C ATOM 337 C ASP A 23 12.095 2.867 10.597 1.00 0.00 C ATOM 338 O ASP A 23 13.282 2.781 10.353 1.00 0.00 O ATOM 339 CB ASP A 23 12.074 1.983 12.933 1.00 0.00 C ATOM 340 CG ASP A 23 11.707 2.309 14.382 1.00 0.00 C ATOM 341 OD1 ASP A 23 11.800 1.418 15.211 1.00 0.00 O ATOM 342 OD2 ASP A 23 11.341 3.444 14.638 1.00 0.00 O ATOM 0 H ASP A 23 9.651 2.225 12.034 1.00 0.00 H new ATOM 0 HA ASP A 23 11.976 4.061 12.386 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.619 1.038 12.635 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.153 1.861 12.839 1.00 0.00 H new ATOM 347 N VAL A 24 11.196 2.766 9.661 1.00 0.00 N ATOM 348 CA VAL A 24 11.606 2.537 8.250 1.00 0.00 C ATOM 349 C VAL A 24 11.390 3.830 7.468 1.00 0.00 C ATOM 350 O VAL A 24 10.393 4.504 7.633 1.00 0.00 O ATOM 351 CB VAL A 24 10.754 1.422 7.642 1.00 0.00 C ATOM 352 CG1 VAL A 24 11.245 1.118 6.226 1.00 0.00 C ATOM 353 CG2 VAL A 24 10.874 0.163 8.504 1.00 0.00 C ATOM 0 H VAL A 24 10.190 2.833 9.813 1.00 0.00 H new ATOM 0 HA VAL A 24 12.655 2.244 8.208 1.00 0.00 H new ATOM 0 HB VAL A 24 9.712 1.740 7.604 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.638 0.323 5.793 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.161 2.014 5.612 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.287 0.799 6.263 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.267 -0.633 8.072 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.916 -0.155 8.541 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.524 0.379 9.514 1.00 0.00 H new ATOM 363 N ASP A 25 12.314 4.191 6.627 1.00 0.00 N ATOM 364 CA ASP A 25 12.147 5.448 5.855 1.00 0.00 C ATOM 365 C ASP A 25 11.039 5.262 4.820 1.00 0.00 C ATOM 366 O ASP A 25 11.247 4.691 3.768 1.00 0.00 O ATOM 367 CB ASP A 25 13.458 5.790 5.144 1.00 0.00 C ATOM 368 CG ASP A 25 13.336 7.159 4.475 1.00 0.00 C ATOM 369 OD1 ASP A 25 12.319 7.804 4.673 1.00 0.00 O ATOM 370 OD2 ASP A 25 14.261 7.540 3.777 1.00 0.00 O ATOM 0 H ASP A 25 13.173 3.673 6.442 1.00 0.00 H new ATOM 0 HA ASP A 25 11.881 6.259 6.533 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.281 5.795 5.859 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.689 5.029 4.399 1.00 0.00 H new ATOM 375 N VAL A 26 9.861 5.740 5.112 1.00 0.00 N ATOM 376 CA VAL A 26 8.734 5.590 4.144 1.00 0.00 C ATOM 377 C VAL A 26 9.092 6.281 2.824 1.00 0.00 C ATOM 378 O VAL A 26 8.285 6.365 1.920 1.00 0.00 O ATOM 379 CB VAL A 26 7.475 6.236 4.726 1.00 0.00 C ATOM 380 CG1 VAL A 26 7.207 5.675 6.124 1.00 0.00 C ATOM 381 CG2 VAL A 26 7.675 7.750 4.816 1.00 0.00 C ATOM 0 H VAL A 26 9.629 6.228 5.977 1.00 0.00 H new ATOM 0 HA VAL A 26 8.554 4.531 3.962 1.00 0.00 H new ATOM 0 HB VAL A 26 6.625 6.017 4.080 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.310 6.137 6.536 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.064 4.596 6.062 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.056 5.891 6.772 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.779 8.211 5.230 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.526 7.967 5.461 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.863 8.152 3.820 1.00 0.00 H new ATOM 391 N ASP A 27 10.300 6.763 2.699 1.00 0.00 N ATOM 392 CA ASP A 27 10.710 7.431 1.431 1.00 0.00 C ATOM 393 C ASP A 27 11.442 6.415 0.555 1.00 0.00 C ATOM 394 O ASP A 27 12.024 6.752 -0.457 1.00 0.00 O ATOM 395 CB ASP A 27 11.641 8.604 1.746 1.00 0.00 C ATOM 396 CG ASP A 27 10.866 9.682 2.508 1.00 0.00 C ATOM 397 OD1 ASP A 27 9.650 9.601 2.536 1.00 0.00 O ATOM 398 OD2 ASP A 27 11.504 10.568 3.052 1.00 0.00 O ATOM 0 H ASP A 27 11.020 6.723 3.420 1.00 0.00 H new ATOM 0 HA ASP A 27 9.830 7.806 0.908 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.487 8.261 2.341 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.047 9.017 0.823 1.00 0.00 H new ATOM 403 N LEU A 28 11.417 5.171 0.946 1.00 0.00 N ATOM 404 CA LEU A 28 12.109 4.116 0.153 1.00 0.00 C ATOM 405 C LEU A 28 11.141 3.529 -0.868 1.00 0.00 C ATOM 406 O LEU A 28 9.992 3.267 -0.570 1.00 0.00 O ATOM 407 CB LEU A 28 12.580 3.004 1.093 1.00 0.00 C ATOM 408 CG LEU A 28 13.426 1.988 0.320 1.00 0.00 C ATOM 409 CD1 LEU A 28 14.874 2.477 0.240 1.00 0.00 C ATOM 410 CD2 LEU A 28 13.381 0.638 1.040 1.00 0.00 C ATOM 0 H LEU A 28 10.944 4.838 1.786 1.00 0.00 H new ATOM 0 HA LEU A 28 12.965 4.552 -0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.164 3.430 1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.720 2.507 1.542 1.00 0.00 H new ATOM 0 HG LEU A 28 13.028 1.878 -0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.473 1.752 -0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.906 3.438 -0.273 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.276 2.590 1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.982 -0.087 0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.778 0.750 2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.350 0.288 1.093 1.00 0.00 H new ATOM 422 N ASP A 29 11.598 3.304 -2.066 1.00 0.00 N ATOM 423 CA ASP A 29 10.700 2.716 -3.090 1.00 0.00 C ATOM 424 C ASP A 29 10.330 1.305 -2.642 1.00 0.00 C ATOM 425 O ASP A 29 11.184 0.469 -2.429 1.00 0.00 O ATOM 426 CB ASP A 29 11.426 2.655 -4.436 1.00 0.00 C ATOM 427 CG ASP A 29 11.651 4.075 -4.960 1.00 0.00 C ATOM 428 OD1 ASP A 29 11.069 4.991 -4.402 1.00 0.00 O ATOM 429 OD2 ASP A 29 12.404 4.222 -5.910 1.00 0.00 O ATOM 0 H ASP A 29 12.549 3.501 -2.378 1.00 0.00 H new ATOM 0 HA ASP A 29 9.803 3.325 -3.202 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.381 2.142 -4.323 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.839 2.081 -5.152 1.00 0.00 H new ATOM 434 N LEU A 30 9.068 1.035 -2.481 1.00 0.00 N ATOM 435 CA LEU A 30 8.660 -0.321 -2.029 1.00 0.00 C ATOM 436 C LEU A 30 8.891 -1.327 -3.159 1.00 0.00 C ATOM 437 O LEU A 30 8.492 -2.471 -3.072 1.00 0.00 O ATOM 438 CB LEU A 30 7.181 -0.310 -1.639 1.00 0.00 C ATOM 439 CG LEU A 30 6.357 0.255 -2.794 1.00 0.00 C ATOM 440 CD1 LEU A 30 5.114 -0.611 -3.007 1.00 0.00 C ATOM 441 CD2 LEU A 30 5.930 1.685 -2.460 1.00 0.00 C ATOM 0 H LEU A 30 8.304 1.691 -2.642 1.00 0.00 H new ATOM 0 HA LEU A 30 9.256 -0.609 -1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.849 -1.320 -1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.034 0.294 -0.743 1.00 0.00 H new ATOM 0 HG LEU A 30 6.958 0.256 -3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.526 -0.207 -3.831 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.417 -1.631 -3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.512 -0.613 -2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.342 2.091 -3.283 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.329 1.682 -1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.815 2.303 -2.308 1.00 0.00 H new ATOM 453 N VAL A 31 9.536 -0.914 -4.219 1.00 0.00 N ATOM 454 CA VAL A 31 9.790 -1.858 -5.342 1.00 0.00 C ATOM 455 C VAL A 31 10.538 -3.071 -4.804 1.00 0.00 C ATOM 456 O VAL A 31 10.242 -4.198 -5.145 1.00 0.00 O ATOM 457 CB VAL A 31 10.634 -1.174 -6.417 1.00 0.00 C ATOM 458 CG1 VAL A 31 11.082 -2.208 -7.451 1.00 0.00 C ATOM 459 CG2 VAL A 31 9.801 -0.095 -7.105 1.00 0.00 C ATOM 0 H VAL A 31 9.895 0.031 -4.353 1.00 0.00 H new ATOM 0 HA VAL A 31 8.842 -2.168 -5.781 1.00 0.00 H new ATOM 0 HB VAL A 31 11.511 -0.720 -5.956 1.00 0.00 H new ATOM 0 HG11 VAL A 31 11.684 -1.719 -8.217 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.676 -2.979 -6.961 1.00 0.00 H new ATOM 0 HG13 VAL A 31 10.206 -2.663 -7.913 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.401 0.394 -7.872 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.924 -0.551 -7.566 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.482 0.643 -6.369 1.00 0.00 H new ATOM 469 N ASP A 32 11.491 -2.851 -3.946 1.00 0.00 N ATOM 470 CA ASP A 32 12.235 -4.000 -3.366 1.00 0.00 C ATOM 471 C ASP A 32 11.208 -4.933 -2.734 1.00 0.00 C ATOM 472 O ASP A 32 11.345 -6.140 -2.746 1.00 0.00 O ATOM 473 CB ASP A 32 13.212 -3.502 -2.298 1.00 0.00 C ATOM 474 CG ASP A 32 14.131 -4.648 -1.871 1.00 0.00 C ATOM 475 OD1 ASP A 32 14.043 -5.706 -2.472 1.00 0.00 O ATOM 476 OD2 ASP A 32 14.907 -4.447 -0.952 1.00 0.00 O ATOM 0 H ASP A 32 11.786 -1.930 -3.622 1.00 0.00 H new ATOM 0 HA ASP A 32 12.806 -4.519 -4.136 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.803 -2.674 -2.689 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.663 -3.122 -1.437 1.00 0.00 H new ATOM 481 N ASN A 33 10.163 -4.365 -2.197 1.00 0.00 N ATOM 482 CA ASN A 33 9.091 -5.181 -1.575 1.00 0.00 C ATOM 483 C ASN A 33 8.136 -5.633 -2.682 1.00 0.00 C ATOM 484 O ASN A 33 7.033 -6.076 -2.431 1.00 0.00 O ATOM 485 CB ASN A 33 8.328 -4.333 -0.560 1.00 0.00 C ATOM 486 CG ASN A 33 9.306 -3.723 0.447 1.00 0.00 C ATOM 487 OD1 ASN A 33 10.591 -3.827 0.241 1.00 0.00 O flip ATOM 488 ND2 ASN A 33 8.897 -3.136 1.429 1.00 0.00 N flip ATOM 0 H ASN A 33 10.008 -3.357 -2.164 1.00 0.00 H new ATOM 0 HA ASN A 33 9.519 -6.044 -1.066 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.779 -3.543 -1.072 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.592 -4.946 -0.040 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.894 -3.053 1.593 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.557 -2.726 2.090 1.00 0.00 H new ATOM 495 N GLY A 34 8.560 -5.501 -3.912 1.00 0.00 N ATOM 496 CA GLY A 34 7.697 -5.894 -5.064 1.00 0.00 C ATOM 497 C GLY A 34 6.996 -7.218 -4.768 1.00 0.00 C ATOM 498 O GLY A 34 6.036 -7.578 -5.417 1.00 0.00 O ATOM 0 H GLY A 34 9.476 -5.134 -4.169 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.957 -5.117 -5.256 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.302 -5.988 -5.966 1.00 0.00 H new ATOM 502 N VAL A 35 7.452 -7.944 -3.791 1.00 0.00 N ATOM 503 CA VAL A 35 6.783 -9.232 -3.472 1.00 0.00 C ATOM 504 C VAL A 35 5.286 -8.967 -3.301 1.00 0.00 C ATOM 505 O VAL A 35 4.452 -9.742 -3.720 1.00 0.00 O ATOM 506 CB VAL A 35 7.357 -9.799 -2.171 1.00 0.00 C ATOM 507 CG1 VAL A 35 6.502 -10.979 -1.704 1.00 0.00 C ATOM 508 CG2 VAL A 35 8.791 -10.275 -2.413 1.00 0.00 C ATOM 0 H VAL A 35 8.251 -7.705 -3.204 1.00 0.00 H new ATOM 0 HA VAL A 35 6.948 -9.951 -4.274 1.00 0.00 H new ATOM 0 HB VAL A 35 7.353 -9.023 -1.405 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.912 -11.381 -0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.480 -10.642 -1.532 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.504 -11.755 -2.469 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.201 -10.679 -1.488 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.793 -11.050 -3.179 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.402 -9.435 -2.745 1.00 0.00 H new ATOM 518 N ILE A 36 4.949 -7.866 -2.686 1.00 0.00 N ATOM 519 CA ILE A 36 3.513 -7.527 -2.481 1.00 0.00 C ATOM 520 C ILE A 36 2.869 -7.140 -3.812 1.00 0.00 C ATOM 521 O ILE A 36 1.674 -7.235 -3.984 1.00 0.00 O ATOM 522 CB ILE A 36 3.417 -6.328 -1.545 1.00 0.00 C ATOM 523 CG1 ILE A 36 2.034 -6.293 -0.900 1.00 0.00 C ATOM 524 CG2 ILE A 36 3.626 -5.044 -2.349 1.00 0.00 C ATOM 525 CD1 ILE A 36 1.897 -5.028 -0.051 1.00 0.00 C ATOM 0 H ILE A 36 5.610 -7.184 -2.315 1.00 0.00 H new ATOM 0 HA ILE A 36 3.002 -8.393 -2.061 1.00 0.00 H new ATOM 0 HB ILE A 36 4.180 -6.410 -0.771 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.262 -6.312 -1.669 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.888 -7.177 -0.280 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.558 -4.183 -1.684 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.610 -5.064 -2.817 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.859 -4.968 -3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.909 -5.004 0.409 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.660 -5.028 0.727 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.024 -4.150 -0.684 1.00 0.00 H new ATOM 537 N ASP A 37 3.647 -6.675 -4.743 1.00 0.00 N ATOM 538 CA ASP A 37 3.074 -6.248 -6.051 1.00 0.00 C ATOM 539 C ASP A 37 2.412 -7.429 -6.766 1.00 0.00 C ATOM 540 O ASP A 37 1.458 -7.255 -7.499 1.00 0.00 O ATOM 541 CB ASP A 37 4.179 -5.672 -6.938 1.00 0.00 C ATOM 542 CG ASP A 37 4.720 -4.386 -6.312 1.00 0.00 C ATOM 543 OD1 ASP A 37 5.749 -3.915 -6.768 1.00 0.00 O ATOM 544 OD2 ASP A 37 4.095 -3.894 -5.386 1.00 0.00 O ATOM 0 H ASP A 37 4.658 -6.571 -4.658 1.00 0.00 H new ATOM 0 HA ASP A 37 2.319 -5.485 -5.861 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.983 -6.399 -7.053 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.789 -5.467 -7.935 1.00 0.00 H new ATOM 549 N SER A 38 2.915 -8.621 -6.588 1.00 0.00 N ATOM 550 CA SER A 38 2.312 -9.787 -7.293 1.00 0.00 C ATOM 551 C SER A 38 1.490 -10.654 -6.333 1.00 0.00 C ATOM 552 O SER A 38 0.295 -10.794 -6.482 1.00 0.00 O ATOM 553 CB SER A 38 3.428 -10.635 -7.905 1.00 0.00 C ATOM 554 OG SER A 38 3.838 -10.051 -9.147 1.00 0.00 O ATOM 0 H SER A 38 3.712 -8.836 -5.989 1.00 0.00 H new ATOM 0 HA SER A 38 1.647 -9.412 -8.071 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.274 -10.693 -7.220 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.079 -11.655 -8.067 1.00 0.00 H new ATOM 0 HG SER A 38 4.554 -10.591 -9.542 1.00 0.00 H new ATOM 559 N LEU A 39 2.124 -11.263 -5.372 1.00 0.00 N ATOM 560 CA LEU A 39 1.374 -12.150 -4.436 1.00 0.00 C ATOM 561 C LEU A 39 0.490 -11.335 -3.491 1.00 0.00 C ATOM 562 O LEU A 39 -0.689 -11.592 -3.353 1.00 0.00 O ATOM 563 CB LEU A 39 2.370 -12.974 -3.618 1.00 0.00 C ATOM 564 CG LEU A 39 1.622 -14.016 -2.781 1.00 0.00 C ATOM 565 CD1 LEU A 39 2.410 -15.327 -2.776 1.00 0.00 C ATOM 566 CD2 LEU A 39 1.479 -13.509 -1.343 1.00 0.00 C ATOM 0 H LEU A 39 3.125 -11.187 -5.193 1.00 0.00 H new ATOM 0 HA LEU A 39 0.731 -12.807 -5.022 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.078 -13.469 -4.283 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.949 -12.319 -2.967 1.00 0.00 H new ATOM 0 HG LEU A 39 0.634 -14.183 -3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.878 -16.069 -2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.517 -15.691 -3.798 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.397 -15.157 -2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.947 -14.250 -0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.468 -13.342 -0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.920 -12.573 -1.341 1.00 0.00 H new ATOM 578 N GLY A 40 1.049 -10.366 -2.828 1.00 0.00 N ATOM 579 CA GLY A 40 0.243 -9.548 -1.880 1.00 0.00 C ATOM 580 C GLY A 40 -0.776 -8.702 -2.642 1.00 0.00 C ATOM 581 O GLY A 40 -1.881 -8.479 -2.185 1.00 0.00 O ATOM 0 H GLY A 40 2.032 -10.103 -2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.271 -10.199 -1.173 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.900 -8.901 -1.298 1.00 0.00 H new ATOM 585 N LEU A 41 -0.407 -8.213 -3.789 1.00 0.00 N ATOM 586 CA LEU A 41 -1.339 -7.363 -4.576 1.00 0.00 C ATOM 587 C LEU A 41 -2.617 -8.139 -4.881 1.00 0.00 C ATOM 588 O LEU A 41 -3.707 -7.619 -4.776 1.00 0.00 O ATOM 589 CB LEU A 41 -0.663 -6.967 -5.890 1.00 0.00 C ATOM 590 CG LEU A 41 -1.530 -5.959 -6.645 1.00 0.00 C ATOM 591 CD1 LEU A 41 -1.121 -4.542 -6.246 1.00 0.00 C ATOM 592 CD2 LEU A 41 -1.329 -6.143 -8.151 1.00 0.00 C ATOM 0 H LEU A 41 0.505 -8.366 -4.218 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.590 -6.471 -4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.317 -6.535 -5.688 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.501 -7.852 -6.506 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.579 -6.120 -6.396 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.737 -3.821 -6.783 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.261 -4.411 -5.173 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.073 -4.381 -6.497 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.946 -5.425 -8.691 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.281 -5.980 -8.401 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.617 -7.155 -8.435 1.00 0.00 H new ATOM 604 N LEU A 42 -2.493 -9.375 -5.261 1.00 0.00 N ATOM 605 CA LEU A 42 -3.709 -10.175 -5.579 1.00 0.00 C ATOM 606 C LEU A 42 -4.524 -10.420 -4.309 1.00 0.00 C ATOM 607 O LEU A 42 -5.733 -10.298 -4.303 1.00 0.00 O ATOM 608 CB LEU A 42 -3.289 -11.516 -6.182 1.00 0.00 C ATOM 609 CG LEU A 42 -2.618 -11.287 -7.535 1.00 0.00 C ATOM 610 CD1 LEU A 42 -2.132 -12.625 -8.095 1.00 0.00 C ATOM 611 CD2 LEU A 42 -3.629 -10.673 -8.497 1.00 0.00 C ATOM 0 H LEU A 42 -1.606 -9.868 -5.366 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.322 -9.625 -6.293 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.603 -12.030 -5.508 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.160 -12.160 -6.302 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.769 -10.614 -7.415 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.653 -12.463 -9.061 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.415 -13.070 -7.405 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.981 -13.297 -8.220 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.156 -10.507 -9.465 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.474 -11.350 -8.618 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.981 -9.722 -8.097 1.00 0.00 H new ATOM 623 N LYS A 43 -3.876 -10.769 -3.234 1.00 0.00 N ATOM 624 CA LYS A 43 -4.617 -11.024 -1.971 1.00 0.00 C ATOM 625 C LYS A 43 -5.273 -9.733 -1.472 1.00 0.00 C ATOM 626 O LYS A 43 -6.341 -9.752 -0.896 1.00 0.00 O ATOM 627 CB LYS A 43 -3.643 -11.544 -0.916 1.00 0.00 C ATOM 628 CG LYS A 43 -3.108 -12.911 -1.343 1.00 0.00 C ATOM 629 CD LYS A 43 -2.231 -13.488 -0.229 1.00 0.00 C ATOM 630 CE LYS A 43 -1.608 -14.803 -0.699 1.00 0.00 C ATOM 631 NZ LYS A 43 -2.685 -15.805 -0.936 1.00 0.00 N ATOM 0 H LYS A 43 -2.865 -10.888 -3.176 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.395 -11.765 -2.154 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.818 -10.842 -0.790 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.144 -11.623 0.049 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.936 -13.587 -1.555 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.530 -12.816 -2.263 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.449 -12.777 0.037 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.827 -13.656 0.668 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.039 -14.642 -1.614 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.909 -15.175 0.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.268 -16.756 -0.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.370 -15.770 -0.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.169 -15.589 -1.831 1.00 0.00 H new ATOM 645 N VAL A 44 -4.630 -8.615 -1.671 1.00 0.00 N ATOM 646 CA VAL A 44 -5.203 -7.325 -1.189 1.00 0.00 C ATOM 647 C VAL A 44 -6.528 -7.017 -1.892 1.00 0.00 C ATOM 648 O VAL A 44 -7.485 -6.614 -1.269 1.00 0.00 O ATOM 649 CB VAL A 44 -4.212 -6.198 -1.467 1.00 0.00 C ATOM 650 CG1 VAL A 44 -4.873 -4.854 -1.158 1.00 0.00 C ATOM 651 CG2 VAL A 44 -2.982 -6.377 -0.577 1.00 0.00 C ATOM 0 H VAL A 44 -3.731 -8.539 -2.147 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.390 -7.408 -0.118 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.912 -6.223 -2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.167 -4.047 -1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.754 -4.728 -1.788 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.170 -4.827 -0.110 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.271 -5.574 -0.772 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.283 -6.348 0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.513 -7.337 -0.793 1.00 0.00 H new ATOM 661 N ILE A 45 -6.598 -7.185 -3.181 1.00 0.00 N ATOM 662 CA ILE A 45 -7.866 -6.879 -3.893 1.00 0.00 C ATOM 663 C ILE A 45 -8.998 -7.754 -3.349 1.00 0.00 C ATOM 664 O ILE A 45 -10.099 -7.288 -3.125 1.00 0.00 O ATOM 665 CB ILE A 45 -7.686 -7.150 -5.388 1.00 0.00 C ATOM 666 CG1 ILE A 45 -6.533 -6.304 -5.944 1.00 0.00 C ATOM 667 CG2 ILE A 45 -8.973 -6.792 -6.120 1.00 0.00 C ATOM 668 CD1 ILE A 45 -6.742 -4.830 -5.589 1.00 0.00 C ATOM 0 H ILE A 45 -5.835 -7.520 -3.770 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.120 -5.831 -3.736 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.455 -8.205 -5.535 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.585 -6.654 -5.535 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.475 -6.421 -7.026 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.850 -6.983 -7.186 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.792 -7.399 -5.734 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.199 -5.737 -5.964 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.918 -4.239 -5.989 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.681 -4.482 -6.020 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.777 -4.718 -4.505 1.00 0.00 H new ATOM 680 N ALA A 46 -8.747 -9.016 -3.145 1.00 0.00 N ATOM 681 CA ALA A 46 -9.819 -9.912 -2.628 1.00 0.00 C ATOM 682 C ALA A 46 -10.186 -9.531 -1.190 1.00 0.00 C ATOM 683 O ALA A 46 -11.347 -9.445 -0.835 1.00 0.00 O ATOM 684 CB ALA A 46 -9.314 -11.354 -2.651 1.00 0.00 C ATOM 0 H ALA A 46 -7.847 -9.466 -3.313 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.703 -9.810 -3.257 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.092 -12.018 -2.274 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.061 -11.635 -3.673 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.428 -11.439 -2.022 1.00 0.00 H new ATOM 690 N TRP A 47 -9.208 -9.304 -0.359 1.00 0.00 N ATOM 691 CA TRP A 47 -9.500 -8.936 1.054 1.00 0.00 C ATOM 692 C TRP A 47 -9.941 -7.475 1.132 1.00 0.00 C ATOM 693 O TRP A 47 -10.894 -7.137 1.805 1.00 0.00 O ATOM 694 CB TRP A 47 -8.246 -9.148 1.894 1.00 0.00 C ATOM 695 CG TRP A 47 -8.246 -8.205 3.049 1.00 0.00 C ATOM 696 CD1 TRP A 47 -9.289 -7.970 3.878 1.00 0.00 C ATOM 697 CD2 TRP A 47 -7.159 -7.370 3.513 1.00 0.00 C ATOM 698 NE1 TRP A 47 -8.902 -7.037 4.824 1.00 0.00 N ATOM 699 CE2 TRP A 47 -7.592 -6.638 4.639 1.00 0.00 C ATOM 700 CE3 TRP A 47 -5.848 -7.185 3.060 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -6.744 -5.747 5.298 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -4.989 -6.291 3.717 1.00 0.00 C ATOM 703 CH2 TRP A 47 -5.435 -5.573 4.835 1.00 0.00 C ATOM 0 H TRP A 47 -8.218 -9.357 -0.598 1.00 0.00 H new ATOM 0 HA TRP A 47 -10.305 -9.564 1.436 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.207 -10.177 2.253 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -7.357 -8.989 1.283 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -10.262 -8.434 3.812 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -9.508 -6.687 5.566 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.495 -7.734 2.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.095 -5.196 6.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.979 -6.155 3.359 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -4.770 -4.887 5.338 1.00 0.00 H new ATOM 714 N LEU A 48 -9.254 -6.607 0.447 1.00 0.00 N ATOM 715 CA LEU A 48 -9.628 -5.169 0.479 1.00 0.00 C ATOM 716 C LEU A 48 -11.081 -5.017 0.028 1.00 0.00 C ATOM 717 O LEU A 48 -11.828 -4.226 0.568 1.00 0.00 O ATOM 718 CB LEU A 48 -8.710 -4.392 -0.469 1.00 0.00 C ATOM 719 CG LEU A 48 -8.967 -2.896 -0.333 1.00 0.00 C ATOM 720 CD1 LEU A 48 -8.159 -2.358 0.843 1.00 0.00 C ATOM 721 CD2 LEU A 48 -8.534 -2.190 -1.618 1.00 0.00 C ATOM 0 H LEU A 48 -8.447 -6.833 -0.135 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.521 -4.779 1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.667 -4.613 -0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.885 -4.707 -1.498 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.028 -2.715 -0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.337 -1.288 0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.464 -2.868 1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.098 -2.534 0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.716 -1.119 -1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.471 -2.363 -1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.105 -2.583 -2.459 1.00 0.00 H new ATOM 733 N GLU A 49 -11.492 -5.774 -0.953 1.00 0.00 N ATOM 734 CA GLU A 49 -12.900 -5.673 -1.425 1.00 0.00 C ATOM 735 C GLU A 49 -13.842 -6.029 -0.278 1.00 0.00 C ATOM 736 O GLU A 49 -14.841 -5.376 -0.059 1.00 0.00 O ATOM 737 CB GLU A 49 -13.112 -6.633 -2.605 1.00 0.00 C ATOM 738 CG GLU A 49 -14.568 -7.096 -2.661 1.00 0.00 C ATOM 739 CD GLU A 49 -14.812 -7.852 -3.967 1.00 0.00 C ATOM 740 OE1 GLU A 49 -13.854 -8.067 -4.692 1.00 0.00 O ATOM 741 OE2 GLU A 49 -15.952 -8.202 -4.223 1.00 0.00 O ATOM 0 H GLU A 49 -10.915 -6.456 -1.446 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.110 -4.655 -1.755 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.846 -6.137 -3.538 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.453 -7.495 -2.503 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.789 -7.739 -1.809 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.237 -6.238 -2.595 1.00 0.00 H new ATOM 748 N ASP A 50 -13.534 -7.058 0.458 1.00 0.00 N ATOM 749 CA ASP A 50 -14.416 -7.447 1.592 1.00 0.00 C ATOM 750 C ASP A 50 -14.395 -6.360 2.669 1.00 0.00 C ATOM 751 O ASP A 50 -15.403 -6.047 3.273 1.00 0.00 O ATOM 752 CB ASP A 50 -13.919 -8.761 2.191 1.00 0.00 C ATOM 753 CG ASP A 50 -14.942 -9.282 3.202 1.00 0.00 C ATOM 754 OD1 ASP A 50 -15.996 -8.679 3.315 1.00 0.00 O ATOM 755 OD2 ASP A 50 -14.653 -10.276 3.849 1.00 0.00 O ATOM 0 H ASP A 50 -12.711 -7.646 0.324 1.00 0.00 H new ATOM 0 HA ASP A 50 -15.436 -7.569 1.226 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.765 -9.497 1.402 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.956 -8.609 2.678 1.00 0.00 H new ATOM 760 N ARG A 51 -13.247 -5.797 2.930 1.00 0.00 N ATOM 761 CA ARG A 51 -13.146 -4.747 3.986 1.00 0.00 C ATOM 762 C ARG A 51 -13.978 -3.511 3.620 1.00 0.00 C ATOM 763 O ARG A 51 -14.691 -2.976 4.447 1.00 0.00 O ATOM 764 CB ARG A 51 -11.680 -4.338 4.150 1.00 0.00 C ATOM 765 CG ARG A 51 -11.549 -3.363 5.320 1.00 0.00 C ATOM 766 CD ARG A 51 -10.089 -2.930 5.465 1.00 0.00 C ATOM 767 NE ARG A 51 -9.944 -2.062 6.666 1.00 0.00 N ATOM 768 CZ ARG A 51 -8.876 -1.329 6.816 1.00 0.00 C ATOM 769 NH1 ARG A 51 -8.749 -0.568 7.869 1.00 0.00 N ATOM 770 NH2 ARG A 51 -7.933 -1.357 5.914 1.00 0.00 N ATOM 0 H ARG A 51 -12.371 -6.019 2.456 1.00 0.00 H new ATOM 0 HA ARG A 51 -13.533 -5.158 4.919 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.063 -5.219 4.327 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.317 -3.873 3.233 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.183 -2.492 5.153 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.892 -3.835 6.240 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.447 -3.806 5.557 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.768 -2.391 4.573 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.680 -2.041 7.372 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.485 -0.547 8.575 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.914 0.005 7.986 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.031 -1.952 5.092 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.098 -0.784 6.031 1.00 0.00 H new ATOM 784 N PHE A 52 -13.886 -3.039 2.403 1.00 0.00 N ATOM 785 CA PHE A 52 -14.663 -1.828 2.014 1.00 0.00 C ATOM 786 C PHE A 52 -15.831 -2.207 1.103 1.00 0.00 C ATOM 787 O PHE A 52 -16.642 -1.375 0.748 1.00 0.00 O ATOM 788 CB PHE A 52 -13.740 -0.860 1.273 1.00 0.00 C ATOM 789 CG PHE A 52 -12.749 -0.259 2.240 1.00 0.00 C ATOM 790 CD1 PHE A 52 -13.141 0.795 3.075 1.00 0.00 C ATOM 791 CD2 PHE A 52 -11.438 -0.746 2.299 1.00 0.00 C ATOM 792 CE1 PHE A 52 -12.223 1.360 3.968 1.00 0.00 C ATOM 793 CE2 PHE A 52 -10.520 -0.182 3.193 1.00 0.00 C ATOM 794 CZ PHE A 52 -10.913 0.871 4.027 1.00 0.00 C ATOM 0 H PHE A 52 -13.307 -3.440 1.665 1.00 0.00 H new ATOM 0 HA PHE A 52 -15.060 -1.359 2.914 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.213 -1.384 0.476 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -14.327 -0.071 0.802 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -14.152 1.172 3.030 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -11.134 -1.558 1.654 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -12.526 2.173 4.611 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.509 -0.559 3.239 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.205 1.306 4.717 1.00 0.00 H new ATOM 804 N GLY A 53 -15.929 -3.446 0.715 1.00 0.00 N ATOM 805 CA GLY A 53 -17.052 -3.849 -0.178 1.00 0.00 C ATOM 806 C GLY A 53 -16.838 -3.232 -1.561 1.00 0.00 C ATOM 807 O GLY A 53 -17.776 -2.864 -2.240 1.00 0.00 O ATOM 0 H GLY A 53 -15.286 -4.194 0.974 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -17.100 -4.935 -0.254 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -18.002 -3.516 0.239 1.00 0.00 H new ATOM 811 N ILE A 54 -15.607 -3.106 -1.979 1.00 0.00 N ATOM 812 CA ILE A 54 -15.327 -2.501 -3.313 1.00 0.00 C ATOM 813 C ILE A 54 -15.084 -3.609 -4.339 1.00 0.00 C ATOM 814 O ILE A 54 -14.517 -4.636 -4.035 1.00 0.00 O ATOM 815 CB ILE A 54 -14.083 -1.620 -3.212 1.00 0.00 C ATOM 816 CG1 ILE A 54 -14.303 -0.558 -2.134 1.00 0.00 C ATOM 817 CG2 ILE A 54 -13.830 -0.937 -4.558 1.00 0.00 C ATOM 818 CD1 ILE A 54 -12.982 0.155 -1.845 1.00 0.00 C ATOM 0 H ILE A 54 -14.782 -3.396 -1.453 1.00 0.00 H new ATOM 0 HA ILE A 54 -16.180 -1.900 -3.628 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.221 -2.233 -2.950 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -15.052 0.161 -2.464 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.685 -1.021 -1.224 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -12.942 -0.308 -4.486 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.677 -1.694 -5.327 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.690 -0.321 -4.821 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -13.138 0.912 -1.077 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.246 -0.570 -1.496 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.619 0.631 -2.756 1.00 0.00 H new ATOM 830 N ALA A 55 -15.513 -3.410 -5.554 1.00 0.00 N ATOM 831 CA ALA A 55 -15.311 -4.455 -6.596 1.00 0.00 C ATOM 832 C ALA A 55 -13.814 -4.694 -6.799 1.00 0.00 C ATOM 833 O ALA A 55 -13.005 -3.802 -6.643 1.00 0.00 O ATOM 834 CB ALA A 55 -15.936 -3.990 -7.913 1.00 0.00 C ATOM 0 H ALA A 55 -15.995 -2.569 -5.871 1.00 0.00 H new ATOM 0 HA ALA A 55 -15.786 -5.382 -6.275 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -15.788 -4.755 -8.676 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -17.003 -3.822 -7.770 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.462 -3.062 -8.233 1.00 0.00 H new ATOM 840 N ALA A 56 -13.443 -5.897 -7.139 1.00 0.00 N ATOM 841 CA ALA A 56 -11.999 -6.204 -7.344 1.00 0.00 C ATOM 842 C ALA A 56 -11.434 -5.311 -8.451 1.00 0.00 C ATOM 843 O ALA A 56 -10.266 -4.978 -8.452 1.00 0.00 O ATOM 844 CB ALA A 56 -11.843 -7.672 -7.745 1.00 0.00 C ATOM 0 H ALA A 56 -14.078 -6.682 -7.284 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.455 -6.018 -6.418 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.787 -7.898 -7.895 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.242 -8.309 -6.956 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.389 -7.856 -8.670 1.00 0.00 H new ATOM 850 N ASP A 57 -12.250 -4.925 -9.394 1.00 0.00 N ATOM 851 CA ASP A 57 -11.753 -4.057 -10.498 1.00 0.00 C ATOM 852 C ASP A 57 -10.547 -4.724 -11.161 1.00 0.00 C ATOM 853 O ASP A 57 -9.517 -4.111 -11.357 1.00 0.00 O ATOM 854 CB ASP A 57 -11.344 -2.694 -9.939 1.00 0.00 C ATOM 855 CG ASP A 57 -12.578 -1.977 -9.387 1.00 0.00 C ATOM 856 OD1 ASP A 57 -12.403 -1.005 -8.672 1.00 0.00 O ATOM 857 OD2 ASP A 57 -13.677 -2.412 -9.691 1.00 0.00 O ATOM 0 H ASP A 57 -13.238 -5.173 -9.447 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.544 -3.918 -11.235 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -10.601 -2.820 -9.151 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -10.880 -2.093 -10.721 1.00 0.00 H new ATOM 862 N ASP A 58 -10.669 -5.979 -11.500 1.00 0.00 N ATOM 863 CA ASP A 58 -9.534 -6.701 -12.145 1.00 0.00 C ATOM 864 C ASP A 58 -8.818 -5.782 -13.141 1.00 0.00 C ATOM 865 O ASP A 58 -9.171 -5.708 -14.301 1.00 0.00 O ATOM 866 CB ASP A 58 -10.068 -7.935 -12.877 1.00 0.00 C ATOM 867 CG ASP A 58 -11.148 -7.515 -13.879 1.00 0.00 C ATOM 868 OD1 ASP A 58 -11.752 -8.395 -14.469 1.00 0.00 O ATOM 869 OD2 ASP A 58 -11.359 -6.324 -14.030 1.00 0.00 O ATOM 0 H ASP A 58 -11.510 -6.538 -11.357 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.824 -7.008 -11.377 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.255 -8.442 -13.396 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.480 -8.645 -12.160 1.00 0.00 H new ATOM 874 N VAL A 59 -7.805 -5.089 -12.691 1.00 0.00 N ATOM 875 CA VAL A 59 -7.051 -4.180 -13.600 1.00 0.00 C ATOM 876 C VAL A 59 -5.557 -4.495 -13.492 1.00 0.00 C ATOM 877 O VAL A 59 -5.103 -5.058 -12.517 1.00 0.00 O ATOM 878 CB VAL A 59 -7.296 -2.725 -13.192 1.00 0.00 C ATOM 879 CG1 VAL A 59 -8.793 -2.418 -13.258 1.00 0.00 C ATOM 880 CG2 VAL A 59 -6.795 -2.508 -11.763 1.00 0.00 C ATOM 0 H VAL A 59 -7.467 -5.115 -11.729 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.387 -4.326 -14.627 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.761 -2.063 -13.872 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.965 -1.382 -12.967 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -9.152 -2.574 -14.275 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.330 -3.080 -12.579 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.968 -1.473 -11.470 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.331 -3.172 -11.085 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.728 -2.725 -11.715 1.00 0.00 H new ATOM 890 N GLU A 60 -4.788 -4.141 -14.486 1.00 0.00 N ATOM 891 CA GLU A 60 -3.327 -4.430 -14.430 1.00 0.00 C ATOM 892 C GLU A 60 -2.566 -3.167 -14.023 1.00 0.00 C ATOM 893 O GLU A 60 -2.753 -2.108 -14.589 1.00 0.00 O ATOM 894 CB GLU A 60 -2.849 -4.890 -15.809 1.00 0.00 C ATOM 895 CG GLU A 60 -1.385 -5.310 -15.728 1.00 0.00 C ATOM 896 CD GLU A 60 -0.877 -5.665 -17.127 1.00 0.00 C ATOM 897 OE1 GLU A 60 0.281 -6.030 -17.239 1.00 0.00 O ATOM 898 OE2 GLU A 60 -1.655 -5.565 -18.062 1.00 0.00 O ATOM 0 H GLU A 60 -5.107 -3.666 -15.331 1.00 0.00 H new ATOM 0 HA GLU A 60 -3.141 -5.214 -13.696 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.459 -5.724 -16.157 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.967 -4.084 -16.534 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.787 -4.502 -15.307 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.278 -6.167 -15.063 1.00 0.00 H new ATOM 905 N LEU A 61 -1.702 -3.276 -13.048 1.00 0.00 N ATOM 906 CA LEU A 61 -0.918 -2.092 -12.602 1.00 0.00 C ATOM 907 C LEU A 61 0.544 -2.263 -13.020 1.00 0.00 C ATOM 908 O LEU A 61 1.093 -3.345 -12.958 1.00 0.00 O ATOM 909 CB LEU A 61 -1.004 -1.964 -11.079 1.00 0.00 C ATOM 910 CG LEU A 61 -2.459 -1.752 -10.666 1.00 0.00 C ATOM 911 CD1 LEU A 61 -3.093 -3.099 -10.312 1.00 0.00 C ATOM 912 CD2 LEU A 61 -2.514 -0.827 -9.448 1.00 0.00 C ATOM 0 H LEU A 61 -1.507 -4.139 -12.541 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.325 -1.192 -13.063 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.608 -2.862 -10.605 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.393 -1.128 -10.739 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.007 -1.299 -11.492 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.131 -2.946 -10.017 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.055 -3.758 -11.179 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.545 -3.553 -9.487 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.552 -0.675 -9.153 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.964 -1.279 -8.622 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.064 0.133 -9.700 1.00 0.00 H new ATOM 924 N SER A 62 1.178 -1.207 -13.446 1.00 0.00 N ATOM 925 CA SER A 62 2.602 -1.315 -13.867 1.00 0.00 C ATOM 926 C SER A 62 3.511 -1.139 -12.647 1.00 0.00 C ATOM 927 O SER A 62 3.127 -0.539 -11.662 1.00 0.00 O ATOM 928 CB SER A 62 2.914 -0.227 -14.895 1.00 0.00 C ATOM 929 OG SER A 62 3.358 -0.835 -16.102 1.00 0.00 O ATOM 0 H SER A 62 0.772 -0.274 -13.521 1.00 0.00 H new ATOM 0 HA SER A 62 2.775 -2.295 -14.311 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.026 0.377 -15.083 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.681 0.445 -14.509 1.00 0.00 H new ATOM 0 HG SER A 62 3.557 -0.140 -16.764 1.00 0.00 H new ATOM 935 N PRO A 63 4.708 -1.659 -12.713 1.00 0.00 N ATOM 936 CA PRO A 63 5.693 -1.558 -11.596 1.00 0.00 C ATOM 937 C PRO A 63 6.048 -0.104 -11.273 1.00 0.00 C ATOM 938 O PRO A 63 6.419 0.225 -10.163 1.00 0.00 O ATOM 939 CB PRO A 63 6.928 -2.309 -12.110 1.00 0.00 C ATOM 940 CG PRO A 63 6.757 -2.418 -13.589 1.00 0.00 C ATOM 941 CD PRO A 63 5.256 -2.394 -13.860 1.00 0.00 C ATOM 0 HA PRO A 63 5.293 -1.974 -10.671 1.00 0.00 H new ATOM 0 HB2 PRO A 63 7.843 -1.771 -11.862 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.004 -3.295 -11.652 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.255 -1.593 -14.098 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.203 -3.339 -13.963 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.027 -1.895 -14.802 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.844 -3.401 -13.924 1.00 0.00 H new ATOM 949 N GLU A 64 5.936 0.768 -12.237 1.00 0.00 N ATOM 950 CA GLU A 64 6.264 2.200 -11.992 1.00 0.00 C ATOM 951 C GLU A 64 5.303 2.779 -10.951 1.00 0.00 C ATOM 952 O GLU A 64 5.650 3.667 -10.198 1.00 0.00 O ATOM 953 CB GLU A 64 6.133 2.983 -13.298 1.00 0.00 C ATOM 954 CG GLU A 64 7.172 2.488 -14.297 1.00 0.00 C ATOM 955 CD GLU A 64 7.089 3.320 -15.578 1.00 0.00 C ATOM 956 OE1 GLU A 64 6.156 4.096 -15.697 1.00 0.00 O ATOM 957 OE2 GLU A 64 7.960 3.167 -16.418 1.00 0.00 O ATOM 0 H GLU A 64 5.631 0.550 -13.185 1.00 0.00 H new ATOM 0 HA GLU A 64 7.286 2.278 -11.621 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.131 2.860 -13.709 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.272 4.048 -13.111 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.170 2.564 -13.866 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.001 1.435 -14.523 1.00 0.00 H new ATOM 964 N HIS A 65 4.096 2.286 -10.907 1.00 0.00 N ATOM 965 CA HIS A 65 3.113 2.813 -9.918 1.00 0.00 C ATOM 966 C HIS A 65 3.553 2.434 -8.503 1.00 0.00 C ATOM 967 O HIS A 65 3.230 3.103 -7.542 1.00 0.00 O ATOM 968 CB HIS A 65 1.734 2.214 -10.199 1.00 0.00 C ATOM 969 CG HIS A 65 0.734 2.800 -9.243 1.00 0.00 C ATOM 970 ND1 HIS A 65 0.401 4.147 -9.254 1.00 0.00 N ATOM 971 CD2 HIS A 65 -0.012 2.238 -8.236 1.00 0.00 C ATOM 972 CE1 HIS A 65 -0.508 4.349 -8.282 1.00 0.00 C ATOM 973 NE2 HIS A 65 -0.793 3.217 -7.635 1.00 0.00 N ATOM 0 H HIS A 65 3.748 1.542 -11.512 1.00 0.00 H new ATOM 0 HA HIS A 65 3.063 3.899 -10.003 1.00 0.00 H new ATOM 0 HB2 HIS A 65 1.437 2.422 -11.227 1.00 0.00 H new ATOM 0 HB3 HIS A 65 1.767 1.130 -10.090 1.00 0.00 H new ATOM 0 HD1 HIS A 65 0.777 4.855 -9.884 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.006 1.195 -7.955 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.951 5.307 -8.054 1.00 0.00 H new ATOM 982 N PHE A 66 4.283 1.363 -8.365 1.00 0.00 N ATOM 983 CA PHE A 66 4.740 0.941 -7.013 1.00 0.00 C ATOM 984 C PHE A 66 6.132 1.518 -6.745 1.00 0.00 C ATOM 985 O PHE A 66 6.784 1.174 -5.781 1.00 0.00 O ATOM 986 CB PHE A 66 4.800 -0.588 -6.952 1.00 0.00 C ATOM 987 CG PHE A 66 3.428 -1.153 -7.230 1.00 0.00 C ATOM 988 CD1 PHE A 66 3.026 -1.389 -8.550 1.00 0.00 C ATOM 989 CD2 PHE A 66 2.558 -1.444 -6.170 1.00 0.00 C ATOM 990 CE1 PHE A 66 1.755 -1.913 -8.812 1.00 0.00 C ATOM 991 CE2 PHE A 66 1.286 -1.969 -6.433 1.00 0.00 C ATOM 992 CZ PHE A 66 0.885 -2.202 -7.755 1.00 0.00 C ATOM 0 H PHE A 66 4.583 0.761 -9.132 1.00 0.00 H new ATOM 0 HA PHE A 66 4.043 1.308 -6.260 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.516 -0.965 -7.683 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.147 -0.911 -5.970 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.697 -1.167 -9.367 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.868 -1.264 -5.151 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.446 -2.094 -9.831 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.615 -2.194 -5.617 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.096 -2.605 -7.958 1.00 0.00 H new ATOM 1002 N ARG A 67 6.594 2.392 -7.598 1.00 0.00 N ATOM 1003 CA ARG A 67 7.946 2.987 -7.399 1.00 0.00 C ATOM 1004 C ARG A 67 8.036 3.617 -6.005 1.00 0.00 C ATOM 1005 O ARG A 67 9.048 3.522 -5.340 1.00 0.00 O ATOM 1006 CB ARG A 67 8.187 4.060 -8.471 1.00 0.00 C ATOM 1007 CG ARG A 67 9.581 4.684 -8.319 1.00 0.00 C ATOM 1008 CD ARG A 67 10.659 3.707 -8.802 1.00 0.00 C ATOM 1009 NE ARG A 67 11.978 4.400 -8.828 1.00 0.00 N ATOM 1010 CZ ARG A 67 12.937 3.948 -9.588 1.00 0.00 C ATOM 1011 NH1 ARG A 67 14.092 4.555 -9.609 1.00 0.00 N ATOM 1012 NH2 ARG A 67 12.742 2.891 -10.326 1.00 0.00 N ATOM 0 H ARG A 67 6.093 2.719 -8.424 1.00 0.00 H new ATOM 0 HA ARG A 67 8.704 2.208 -7.485 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.089 3.618 -9.462 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.426 4.836 -8.391 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.637 5.609 -8.892 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.758 4.944 -7.275 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.703 2.841 -8.141 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.411 3.336 -9.797 1.00 0.00 H new ATOM 0 HE ARG A 67 12.131 5.228 -8.252 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.244 5.382 -9.032 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.843 4.203 -10.203 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.839 2.417 -10.309 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.492 2.538 -10.920 1.00 0.00 H new ATOM 1026 N SER A 68 6.995 4.261 -5.556 1.00 0.00 N ATOM 1027 CA SER A 68 7.044 4.891 -4.206 1.00 0.00 C ATOM 1028 C SER A 68 5.693 4.736 -3.504 1.00 0.00 C ATOM 1029 O SER A 68 4.662 4.614 -4.135 1.00 0.00 O ATOM 1030 CB SER A 68 7.378 6.375 -4.350 1.00 0.00 C ATOM 1031 OG SER A 68 8.663 6.512 -4.944 1.00 0.00 O ATOM 0 H SER A 68 6.117 4.378 -6.062 1.00 0.00 H new ATOM 0 HA SER A 68 7.812 4.398 -3.610 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.626 6.871 -4.964 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.362 6.859 -3.374 1.00 0.00 H new ATOM 0 HG SER A 68 9.280 5.866 -4.542 1.00 0.00 H new ATOM 1037 N ILE A 69 5.694 4.742 -2.198 1.00 0.00 N ATOM 1038 CA ILE A 69 4.424 4.600 -1.440 1.00 0.00 C ATOM 1039 C ILE A 69 3.464 5.733 -1.817 1.00 0.00 C ATOM 1040 O ILE A 69 2.266 5.545 -1.887 1.00 0.00 O ATOM 1041 CB ILE A 69 4.735 4.672 0.055 1.00 0.00 C ATOM 1042 CG1 ILE A 69 5.696 3.550 0.434 1.00 0.00 C ATOM 1043 CG2 ILE A 69 3.453 4.508 0.852 1.00 0.00 C ATOM 1044 CD1 ILE A 69 6.120 3.709 1.896 1.00 0.00 C ATOM 0 H ILE A 69 6.530 4.840 -1.622 1.00 0.00 H new ATOM 0 HA ILE A 69 3.957 3.645 -1.680 1.00 0.00 H new ATOM 0 HB ILE A 69 5.188 5.638 0.277 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.217 2.582 0.287 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.572 3.574 -0.214 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.678 4.560 1.917 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.757 5.304 0.589 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.003 3.542 0.623 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.807 2.906 2.165 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.616 4.671 2.028 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.240 3.663 2.537 1.00 0.00 H new ATOM 1056 N ARG A 70 3.979 6.910 -2.043 1.00 0.00 N ATOM 1057 CA ARG A 70 3.094 8.058 -2.397 1.00 0.00 C ATOM 1058 C ARG A 70 2.327 7.757 -3.687 1.00 0.00 C ATOM 1059 O ARG A 70 1.168 8.095 -3.819 1.00 0.00 O ATOM 1060 CB ARG A 70 3.946 9.313 -2.597 1.00 0.00 C ATOM 1061 CG ARG A 70 3.036 10.504 -2.902 1.00 0.00 C ATOM 1062 CD ARG A 70 3.879 11.774 -3.024 1.00 0.00 C ATOM 1063 NE ARG A 70 4.709 11.701 -4.261 1.00 0.00 N ATOM 1064 CZ ARG A 70 5.396 12.740 -4.648 1.00 0.00 C ATOM 1065 NH1 ARG A 70 6.121 12.675 -5.731 1.00 0.00 N ATOM 1066 NH2 ARG A 70 5.358 13.844 -3.953 1.00 0.00 N ATOM 0 H ARG A 70 4.975 7.128 -1.998 1.00 0.00 H new ATOM 0 HA ARG A 70 2.381 8.218 -1.588 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.535 9.512 -1.702 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.650 9.161 -3.415 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.488 10.329 -3.828 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.296 10.621 -2.111 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.232 12.651 -3.058 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.520 11.884 -2.149 1.00 0.00 H new ATOM 0 HE ARG A 70 4.739 10.838 -4.804 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.150 11.812 -6.274 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.659 13.487 -6.034 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.791 13.895 -3.107 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.895 14.656 -4.256 1.00 0.00 H new ATOM 1080 N SER A 71 2.959 7.134 -4.644 1.00 0.00 N ATOM 1081 CA SER A 71 2.250 6.829 -5.919 1.00 0.00 C ATOM 1082 C SER A 71 1.014 5.975 -5.628 1.00 0.00 C ATOM 1083 O SER A 71 -0.055 6.213 -6.154 1.00 0.00 O ATOM 1084 CB SER A 71 3.191 6.065 -6.851 1.00 0.00 C ATOM 1085 OG SER A 71 2.565 5.902 -8.118 1.00 0.00 O ATOM 0 H SER A 71 3.930 6.825 -4.599 1.00 0.00 H new ATOM 0 HA SER A 71 1.941 7.760 -6.395 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.130 6.607 -6.963 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.434 5.092 -6.424 1.00 0.00 H new ATOM 0 HG SER A 71 1.980 5.116 -8.095 1.00 0.00 H new ATOM 1091 N ILE A 72 1.148 4.986 -4.788 1.00 0.00 N ATOM 1092 CA ILE A 72 -0.013 4.124 -4.457 1.00 0.00 C ATOM 1093 C ILE A 72 -1.093 4.965 -3.776 1.00 0.00 C ATOM 1094 O ILE A 72 -2.272 4.787 -4.007 1.00 0.00 O ATOM 1095 CB ILE A 72 0.447 3.017 -3.511 1.00 0.00 C ATOM 1096 CG1 ILE A 72 1.538 2.186 -4.189 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -0.737 2.121 -3.170 1.00 0.00 C ATOM 1098 CD1 ILE A 72 2.088 1.160 -3.197 1.00 0.00 C ATOM 0 H ILE A 72 2.018 4.739 -4.316 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.421 3.685 -5.367 1.00 0.00 H new ATOM 0 HB ILE A 72 0.845 3.459 -2.598 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.133 1.680 -5.065 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.340 2.836 -4.539 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.412 1.330 -2.495 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.514 2.713 -2.687 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.133 1.678 -4.084 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.865 0.568 -3.680 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.509 1.677 -2.335 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.282 0.503 -2.869 1.00 0.00 H new ATOM 1110 N ASP A 73 -0.696 5.879 -2.935 1.00 0.00 N ATOM 1111 CA ASP A 73 -1.694 6.731 -2.232 1.00 0.00 C ATOM 1112 C ASP A 73 -2.570 7.451 -3.257 1.00 0.00 C ATOM 1113 O ASP A 73 -3.757 7.624 -3.059 1.00 0.00 O ATOM 1114 CB ASP A 73 -0.964 7.764 -1.371 1.00 0.00 C ATOM 1115 CG ASP A 73 -1.972 8.490 -0.479 1.00 0.00 C ATOM 1116 OD1 ASP A 73 -1.582 9.454 0.159 1.00 0.00 O ATOM 1117 OD2 ASP A 73 -3.117 8.068 -0.448 1.00 0.00 O ATOM 0 H ASP A 73 0.278 6.073 -2.704 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.321 6.104 -1.598 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.208 7.273 -0.758 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.443 8.480 -2.007 1.00 0.00 H new ATOM 1122 N ALA A 74 -1.998 7.878 -4.348 1.00 0.00 N ATOM 1123 CA ALA A 74 -2.807 8.590 -5.375 1.00 0.00 C ATOM 1124 C ALA A 74 -3.864 7.644 -5.944 1.00 0.00 C ATOM 1125 O ALA A 74 -5.004 8.018 -6.137 1.00 0.00 O ATOM 1126 CB ALA A 74 -1.892 9.073 -6.502 1.00 0.00 C ATOM 0 H ALA A 74 -1.009 7.765 -4.572 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.300 9.447 -4.916 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.485 9.594 -7.254 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.142 9.752 -6.096 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.396 8.217 -6.960 1.00 0.00 H new ATOM 1132 N PHE A 75 -3.501 6.422 -6.213 1.00 0.00 N ATOM 1133 CA PHE A 75 -4.498 5.462 -6.766 1.00 0.00 C ATOM 1134 C PHE A 75 -5.601 5.223 -5.735 1.00 0.00 C ATOM 1135 O PHE A 75 -6.776 5.280 -6.042 1.00 0.00 O ATOM 1136 CB PHE A 75 -3.812 4.136 -7.090 1.00 0.00 C ATOM 1137 CG PHE A 75 -4.802 3.203 -7.745 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -5.501 2.269 -6.970 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -5.021 3.271 -9.126 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -6.418 1.403 -7.577 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -5.939 2.405 -9.732 1.00 0.00 C ATOM 1142 CZ PHE A 75 -6.638 1.471 -8.958 1.00 0.00 C ATOM 0 H PHE A 75 -2.563 6.047 -6.075 1.00 0.00 H new ATOM 0 HA PHE A 75 -4.931 5.877 -7.676 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.963 4.306 -7.752 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.420 3.685 -6.178 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.333 2.217 -5.904 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.482 3.991 -9.724 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.956 0.682 -6.980 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -6.108 2.457 -10.797 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.346 0.803 -9.426 1.00 0.00 H new ATOM 1152 N VAL A 76 -5.231 4.953 -4.514 1.00 0.00 N ATOM 1153 CA VAL A 76 -6.250 4.708 -3.463 1.00 0.00 C ATOM 1154 C VAL A 76 -7.050 5.985 -3.203 1.00 0.00 C ATOM 1155 O VAL A 76 -8.254 5.951 -3.053 1.00 0.00 O ATOM 1156 CB VAL A 76 -5.544 4.276 -2.180 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -6.551 4.250 -1.036 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -4.953 2.877 -2.370 1.00 0.00 C ATOM 0 H VAL A 76 -4.262 4.892 -4.201 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.933 3.925 -3.793 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.744 4.979 -1.948 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.051 3.942 -0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.975 5.245 -0.902 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.348 3.544 -1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.449 2.568 -1.455 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.752 2.172 -2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.236 2.893 -3.191 1.00 0.00 H new ATOM 1168 N VAL A 77 -6.393 7.112 -3.143 1.00 0.00 N ATOM 1169 CA VAL A 77 -7.117 8.384 -2.887 1.00 0.00 C ATOM 1170 C VAL A 77 -8.095 8.666 -4.030 1.00 0.00 C ATOM 1171 O VAL A 77 -9.206 9.110 -3.816 1.00 0.00 O ATOM 1172 CB VAL A 77 -6.102 9.520 -2.793 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -6.838 10.853 -2.749 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -5.268 9.356 -1.521 1.00 0.00 C ATOM 0 H VAL A 77 -5.384 7.204 -3.261 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.675 8.305 -1.954 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.445 9.494 -3.663 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.115 11.666 -2.682 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.433 10.970 -3.655 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.494 10.878 -1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.543 10.167 -1.454 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.923 9.382 -0.650 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.742 8.402 -1.551 1.00 0.00 H new ATOM 1184 N GLY A 78 -7.686 8.420 -5.243 1.00 0.00 N ATOM 1185 CA GLY A 78 -8.583 8.682 -6.403 1.00 0.00 C ATOM 1186 C GLY A 78 -9.877 7.874 -6.272 1.00 0.00 C ATOM 1187 O GLY A 78 -10.931 8.311 -6.690 1.00 0.00 O ATOM 0 H GLY A 78 -6.767 8.048 -5.482 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.815 9.746 -6.458 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.075 8.418 -7.330 1.00 0.00 H new ATOM 1191 N ALA A 79 -9.811 6.695 -5.711 1.00 0.00 N ATOM 1192 CA ALA A 79 -11.045 5.868 -5.579 1.00 0.00 C ATOM 1193 C ALA A 79 -11.583 5.933 -4.149 1.00 0.00 C ATOM 1194 O ALA A 79 -12.761 6.141 -3.931 1.00 0.00 O ATOM 1195 CB ALA A 79 -10.719 4.415 -5.931 1.00 0.00 C ATOM 0 H ALA A 79 -8.960 6.271 -5.340 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.804 6.256 -6.258 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.619 3.807 -5.836 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.352 4.362 -6.956 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.953 4.039 -5.252 1.00 0.00 H new ATOM 1201 N THR A 80 -10.735 5.748 -3.175 1.00 0.00 N ATOM 1202 CA THR A 80 -11.201 5.791 -1.757 1.00 0.00 C ATOM 1203 C THR A 80 -10.324 6.746 -0.949 1.00 0.00 C ATOM 1204 O THR A 80 -9.117 6.763 -1.086 1.00 0.00 O ATOM 1205 CB THR A 80 -11.115 4.391 -1.153 1.00 0.00 C ATOM 1206 OG1 THR A 80 -11.845 3.480 -1.964 1.00 0.00 O ATOM 1207 CG2 THR A 80 -11.700 4.403 0.259 1.00 0.00 C ATOM 0 H THR A 80 -9.738 5.569 -3.298 1.00 0.00 H new ATOM 0 HA THR A 80 -12.233 6.142 -1.729 1.00 0.00 H new ATOM 0 HB THR A 80 -10.071 4.080 -1.107 1.00 0.00 H new ATOM 0 HG1 THR A 80 -11.789 2.581 -1.578 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.637 3.403 0.687 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.137 5.100 0.880 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.744 4.715 0.218 1.00 0.00 H new ATOM 1215 N THR A 81 -10.922 7.537 -0.098 1.00 0.00 N ATOM 1216 CA THR A 81 -10.130 8.486 0.730 1.00 0.00 C ATOM 1217 C THR A 81 -10.506 8.302 2.207 1.00 0.00 C ATOM 1218 O THR A 81 -11.407 8.946 2.705 1.00 0.00 O ATOM 1219 CB THR A 81 -10.448 9.918 0.295 1.00 0.00 C ATOM 1220 OG1 THR A 81 -9.648 10.827 1.037 1.00 0.00 O ATOM 1221 CG2 THR A 81 -11.928 10.215 0.547 1.00 0.00 C ATOM 0 H THR A 81 -11.930 7.565 0.058 1.00 0.00 H new ATOM 0 HA THR A 81 -9.065 8.293 0.599 1.00 0.00 H new ATOM 0 HB THR A 81 -10.234 10.029 -0.768 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.850 11.744 0.758 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.152 11.235 0.236 1.00 0.00 H new ATOM 0 HG22 THR A 81 -12.541 9.519 -0.025 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.146 10.103 1.609 1.00 0.00 H new