USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=12 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= -1.87 K(o=-1.3,f=-4.1) USER MOD Set 1.2: A 71 SER OG : rot -91:sc= 0.576 USER MOD Set 2.1: A 3 HIS : no HE2:sc= -0.637 K(o=-0.093,f=-14!) USER MOD Set 2.2: A 81 THR OG1 : rot 47:sc= 0.544 USER MOD Single : A 1 MET CE :methyl -109:sc= -0.728 (180deg=-3.97!) USER MOD Single : A 1 MET N :NH3+ 179:sc= 0.488 (180deg=0.482) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0289 USER MOD Single : A 9 GLN : amide:sc= -0.0148 X(o=-0.015,f=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -103:sc= -0.183 (180deg=-0.932) USER MOD Single : A 62 SER OG : rot 180:sc= -0.134 USER MOD Single : A 68 SER OG : rot -62:sc= 0.243 USER MOD Single : A 80 THR OG1 : rot -159:sc= 0.145 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.752 12.002 -0.489 1.00 0.00 N ATOM 2 CA MET A 1 0.009 11.408 0.647 1.00 0.00 C ATOM 3 C MET A 1 -0.830 11.483 1.921 1.00 0.00 C ATOM 4 O MET A 1 -0.339 11.273 3.013 1.00 0.00 O ATOM 5 CB MET A 1 1.311 12.184 0.850 1.00 0.00 C ATOM 6 CG MET A 1 2.187 12.032 -0.391 1.00 0.00 C ATOM 7 SD MET A 1 3.827 12.726 -0.059 1.00 0.00 S ATOM 8 CE MET A 1 4.390 11.459 1.106 1.00 0.00 C ATOM 0 H1 MET A 1 -0.173 11.965 -1.352 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.629 11.464 -0.638 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.986 12.992 -0.271 1.00 0.00 H new ATOM 0 HA MET A 1 0.236 10.366 0.423 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.096 13.237 1.031 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.837 11.811 1.729 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.273 10.980 -0.662 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.729 12.543 -1.238 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.428 11.880 2.111 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.698 10.617 1.091 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.384 11.117 0.819 1.00 0.00 H new ATOM 20 N GLN A 2 -2.092 11.784 1.794 1.00 0.00 N ATOM 21 CA GLN A 2 -2.959 11.874 3.003 1.00 0.00 C ATOM 22 C GLN A 2 -2.950 10.531 3.734 1.00 0.00 C ATOM 23 O GLN A 2 -2.950 10.474 4.947 1.00 0.00 O ATOM 24 CB GLN A 2 -4.391 12.211 2.580 1.00 0.00 C ATOM 25 CG GLN A 2 -4.419 13.587 1.914 1.00 0.00 C ATOM 26 CD GLN A 2 -5.848 13.913 1.473 1.00 0.00 C ATOM 27 OE1 GLN A 2 -6.689 13.039 1.404 1.00 0.00 O ATOM 28 NE2 GLN A 2 -6.160 15.144 1.172 1.00 0.00 N ATOM 0 H GLN A 2 -2.560 11.971 0.908 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.581 12.654 3.664 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -4.765 11.454 1.890 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -5.049 12.203 3.449 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -4.060 14.346 2.609 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -3.750 13.600 1.054 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -5.454 15.878 1.230 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -7.110 15.372 0.879 1.00 0.00 H new ATOM 37 N HIS A 3 -2.943 9.450 3.000 1.00 0.00 N ATOM 38 CA HIS A 3 -2.937 8.104 3.642 1.00 0.00 C ATOM 39 C HIS A 3 -1.619 7.396 3.320 1.00 0.00 C ATOM 40 O HIS A 3 -1.468 6.213 3.548 1.00 0.00 O ATOM 41 CB HIS A 3 -4.102 7.278 3.092 1.00 0.00 C ATOM 42 CG HIS A 3 -5.334 8.137 3.026 1.00 0.00 C ATOM 43 ND1 HIS A 3 -5.850 8.781 4.141 1.00 0.00 N ATOM 44 CD2 HIS A 3 -6.160 8.475 1.982 1.00 0.00 C ATOM 45 CE1 HIS A 3 -6.938 9.470 3.745 1.00 0.00 C ATOM 46 NE2 HIS A 3 -7.167 9.314 2.441 1.00 0.00 N ATOM 0 H HIS A 3 -2.941 9.442 1.980 1.00 0.00 H new ATOM 0 HA HIS A 3 -3.041 8.212 4.722 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -3.857 6.898 2.100 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -4.282 6.413 3.730 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -5.474 8.740 5.088 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -6.044 8.140 0.962 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -7.548 10.073 4.401 1.00 0.00 H new ATOM 55 N ALA A 4 -0.669 8.107 2.779 1.00 0.00 N ATOM 56 CA ALA A 4 0.632 7.470 2.428 1.00 0.00 C ATOM 57 C ALA A 4 1.246 6.818 3.669 1.00 0.00 C ATOM 58 O ALA A 4 1.813 5.746 3.598 1.00 0.00 O ATOM 59 CB ALA A 4 1.590 8.532 1.887 1.00 0.00 C ATOM 0 H ALA A 4 -0.737 9.102 2.565 1.00 0.00 H new ATOM 0 HA ALA A 4 0.462 6.707 1.668 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.542 8.067 1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.159 8.992 0.998 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.753 9.296 2.647 1.00 0.00 H new ATOM 65 N SER A 5 1.143 7.450 4.806 1.00 0.00 N ATOM 66 CA SER A 5 1.730 6.849 6.037 1.00 0.00 C ATOM 67 C SER A 5 1.009 5.538 6.357 1.00 0.00 C ATOM 68 O SER A 5 1.605 4.584 6.815 1.00 0.00 O ATOM 69 CB SER A 5 1.568 7.820 7.207 1.00 0.00 C ATOM 70 OG SER A 5 0.189 7.945 7.526 1.00 0.00 O ATOM 0 H SER A 5 0.681 8.350 4.936 1.00 0.00 H new ATOM 0 HA SER A 5 2.790 6.651 5.875 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.122 7.459 8.073 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.983 8.794 6.946 1.00 0.00 H new ATOM 0 HG SER A 5 0.082 8.566 8.277 1.00 0.00 H new ATOM 76 N VAL A 6 -0.270 5.484 6.112 1.00 0.00 N ATOM 77 CA VAL A 6 -1.035 4.237 6.393 1.00 0.00 C ATOM 78 C VAL A 6 -0.605 3.143 5.417 1.00 0.00 C ATOM 79 O VAL A 6 -0.548 1.983 5.761 1.00 0.00 O ATOM 80 CB VAL A 6 -2.529 4.505 6.233 1.00 0.00 C ATOM 81 CG1 VAL A 6 -3.300 3.188 6.336 1.00 0.00 C ATOM 82 CG2 VAL A 6 -2.997 5.457 7.336 1.00 0.00 C ATOM 0 H VAL A 6 -0.821 6.252 5.728 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.834 3.912 7.414 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.713 4.957 5.259 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.367 3.381 6.222 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.968 2.509 5.550 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.116 2.734 7.310 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.064 5.649 7.222 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.811 5.005 8.310 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.449 6.397 7.262 1.00 0.00 H new ATOM 92 N ILE A 7 -0.317 3.501 4.198 1.00 0.00 N ATOM 93 CA ILE A 7 0.096 2.473 3.201 1.00 0.00 C ATOM 94 C ILE A 7 1.350 1.745 3.689 1.00 0.00 C ATOM 95 O ILE A 7 1.398 0.534 3.717 1.00 0.00 O ATOM 96 CB ILE A 7 0.388 3.151 1.863 1.00 0.00 C ATOM 97 CG1 ILE A 7 -0.891 3.806 1.338 1.00 0.00 C ATOM 98 CG2 ILE A 7 0.878 2.108 0.858 1.00 0.00 C ATOM 99 CD1 ILE A 7 -0.568 4.637 0.095 1.00 0.00 C ATOM 0 H ILE A 7 -0.349 4.459 3.848 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.710 1.750 3.078 1.00 0.00 H new ATOM 0 HB ILE A 7 1.158 3.911 1.999 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.630 3.042 1.095 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.330 4.440 2.108 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.086 2.592 -0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.788 1.640 1.234 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.110 1.347 0.719 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.480 5.103 -0.278 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.156 5.410 0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.149 3.990 -0.676 1.00 0.00 H new ATOM 111 N ALA A 8 2.362 2.466 4.082 1.00 0.00 N ATOM 112 CA ALA A 8 3.600 1.795 4.570 1.00 0.00 C ATOM 113 C ALA A 8 3.273 1.009 5.836 1.00 0.00 C ATOM 114 O ALA A 8 3.630 -0.142 5.976 1.00 0.00 O ATOM 115 CB ALA A 8 4.665 2.847 4.886 1.00 0.00 C ATOM 0 H ALA A 8 2.387 3.486 4.087 1.00 0.00 H new ATOM 0 HA ALA A 8 3.978 1.120 3.802 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.569 2.354 5.243 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.893 3.416 3.985 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.292 3.522 5.656 1.00 0.00 H new ATOM 121 N GLN A 9 2.593 1.630 6.752 1.00 0.00 N ATOM 122 CA GLN A 9 2.228 0.942 8.020 1.00 0.00 C ATOM 123 C GLN A 9 1.295 -0.237 7.727 1.00 0.00 C ATOM 124 O GLN A 9 1.407 -1.291 8.315 1.00 0.00 O ATOM 125 CB GLN A 9 1.510 1.941 8.931 1.00 0.00 C ATOM 126 CG GLN A 9 1.169 1.278 10.265 1.00 0.00 C ATOM 127 CD GLN A 9 -0.313 1.490 10.571 1.00 0.00 C ATOM 128 OE1 GLN A 9 -0.664 2.261 11.442 1.00 0.00 O ATOM 129 NE2 GLN A 9 -1.207 0.835 9.879 1.00 0.00 N ATOM 0 H GLN A 9 2.270 2.595 6.678 1.00 0.00 H new ATOM 0 HA GLN A 9 3.130 0.568 8.505 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.143 2.812 9.100 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.600 2.297 8.449 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.394 0.212 10.223 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.781 1.702 11.061 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.912 0.188 9.148 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.200 0.971 10.070 1.00 0.00 H new ATOM 138 N PHE A 10 0.363 -0.054 6.840 1.00 0.00 N ATOM 139 CA PHE A 10 -0.602 -1.145 6.521 1.00 0.00 C ATOM 140 C PHE A 10 0.103 -2.328 5.855 1.00 0.00 C ATOM 141 O PHE A 10 -0.059 -3.463 6.258 1.00 0.00 O ATOM 142 CB PHE A 10 -1.674 -0.597 5.576 1.00 0.00 C ATOM 143 CG PHE A 10 -2.708 -1.662 5.305 1.00 0.00 C ATOM 144 CD1 PHE A 10 -3.762 -1.860 6.205 1.00 0.00 C ATOM 145 CD2 PHE A 10 -2.612 -2.450 4.153 1.00 0.00 C ATOM 146 CE1 PHE A 10 -4.722 -2.847 5.951 1.00 0.00 C ATOM 147 CE2 PHE A 10 -3.573 -3.438 3.900 1.00 0.00 C ATOM 148 CZ PHE A 10 -4.627 -3.636 4.799 1.00 0.00 C ATOM 0 H PHE A 10 0.224 0.810 6.316 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.053 -1.495 7.449 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.148 0.279 6.018 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.217 -0.274 4.641 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.834 -1.252 7.095 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.798 -2.297 3.460 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.536 -3.000 6.644 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.500 -4.047 3.011 1.00 0.00 H new ATOM 0 HZ PHE A 10 -5.367 -4.398 4.604 1.00 0.00 H new ATOM 158 N VAL A 11 0.861 -2.080 4.828 1.00 0.00 N ATOM 159 CA VAL A 11 1.549 -3.198 4.123 1.00 0.00 C ATOM 160 C VAL A 11 2.702 -3.751 4.971 1.00 0.00 C ATOM 161 O VAL A 11 2.879 -4.948 5.077 1.00 0.00 O ATOM 162 CB VAL A 11 2.088 -2.690 2.787 1.00 0.00 C ATOM 163 CG1 VAL A 11 0.945 -2.063 1.984 1.00 0.00 C ATOM 164 CG2 VAL A 11 3.174 -1.639 3.032 1.00 0.00 C ATOM 0 H VAL A 11 1.036 -1.151 4.444 1.00 0.00 H new ATOM 0 HA VAL A 11 0.833 -4.003 3.955 1.00 0.00 H new ATOM 0 HB VAL A 11 2.514 -3.524 2.230 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.327 -1.700 1.030 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.173 -2.811 1.804 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.520 -1.231 2.545 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.555 -1.280 2.076 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.752 -0.804 3.591 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.989 -2.084 3.603 1.00 0.00 H new ATOM 174 N VAL A 12 3.485 -2.898 5.569 1.00 0.00 N ATOM 175 CA VAL A 12 4.626 -3.383 6.399 1.00 0.00 C ATOM 176 C VAL A 12 4.106 -4.196 7.582 1.00 0.00 C ATOM 177 O VAL A 12 4.708 -5.165 7.997 1.00 0.00 O ATOM 178 CB VAL A 12 5.420 -2.189 6.915 1.00 0.00 C ATOM 179 CG1 VAL A 12 6.485 -2.668 7.903 1.00 0.00 C ATOM 180 CG2 VAL A 12 6.097 -1.478 5.741 1.00 0.00 C ATOM 0 H VAL A 12 3.385 -1.884 5.520 1.00 0.00 H new ATOM 0 HA VAL A 12 5.268 -4.016 5.787 1.00 0.00 H new ATOM 0 HB VAL A 12 4.744 -1.497 7.418 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.051 -1.812 8.271 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.003 -3.172 8.741 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.160 -3.362 7.402 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.665 -0.624 6.111 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.771 -2.170 5.236 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.339 -1.132 5.039 1.00 0.00 H new ATOM 190 N GLU A 13 2.994 -3.804 8.136 1.00 0.00 N ATOM 191 CA GLU A 13 2.443 -4.552 9.300 1.00 0.00 C ATOM 192 C GLU A 13 2.220 -6.012 8.909 1.00 0.00 C ATOM 193 O GLU A 13 2.432 -6.914 9.692 1.00 0.00 O ATOM 194 CB GLU A 13 1.113 -3.930 9.724 1.00 0.00 C ATOM 195 CG GLU A 13 0.597 -4.619 10.986 1.00 0.00 C ATOM 196 CD GLU A 13 -0.801 -4.095 11.318 1.00 0.00 C ATOM 197 OE1 GLU A 13 -1.357 -4.533 12.312 1.00 0.00 O ATOM 198 OE2 GLU A 13 -1.294 -3.264 10.572 1.00 0.00 O ATOM 0 H GLU A 13 2.443 -3.000 7.834 1.00 0.00 H new ATOM 0 HA GLU A 13 3.148 -4.501 10.130 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.242 -2.864 9.908 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.383 -4.028 8.921 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.567 -5.698 10.837 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.275 -4.431 11.819 1.00 0.00 H new ATOM 205 N GLU A 14 1.790 -6.250 7.704 1.00 0.00 N ATOM 206 CA GLU A 14 1.548 -7.652 7.263 1.00 0.00 C ATOM 207 C GLU A 14 2.875 -8.407 7.140 1.00 0.00 C ATOM 208 O GLU A 14 2.953 -9.588 7.418 1.00 0.00 O ATOM 209 CB GLU A 14 0.842 -7.642 5.906 1.00 0.00 C ATOM 210 CG GLU A 14 -0.544 -7.011 6.056 1.00 0.00 C ATOM 211 CD GLU A 14 -1.275 -7.060 4.713 1.00 0.00 C ATOM 212 OE1 GLU A 14 -0.644 -7.407 3.729 1.00 0.00 O ATOM 213 OE2 GLU A 14 -2.455 -6.751 4.692 1.00 0.00 O ATOM 0 H GLU A 14 1.595 -5.535 7.004 1.00 0.00 H new ATOM 0 HA GLU A 14 0.923 -8.153 8.002 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.432 -7.081 5.181 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.751 -8.659 5.524 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.118 -7.544 6.814 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.451 -5.979 6.394 1.00 0.00 H new ATOM 220 N PHE A 15 3.915 -7.747 6.706 1.00 0.00 N ATOM 221 CA PHE A 15 5.223 -8.448 6.548 1.00 0.00 C ATOM 222 C PHE A 15 6.059 -8.321 7.824 1.00 0.00 C ATOM 223 O PHE A 15 6.450 -9.308 8.415 1.00 0.00 O ATOM 224 CB PHE A 15 5.993 -7.833 5.378 1.00 0.00 C ATOM 225 CG PHE A 15 5.108 -7.809 4.160 1.00 0.00 C ATOM 226 CD1 PHE A 15 4.791 -9.000 3.495 1.00 0.00 C ATOM 227 CD2 PHE A 15 4.597 -6.593 3.699 1.00 0.00 C ATOM 228 CE1 PHE A 15 3.961 -8.971 2.368 1.00 0.00 C ATOM 229 CE2 PHE A 15 3.769 -6.562 2.574 1.00 0.00 C ATOM 230 CZ PHE A 15 3.449 -7.752 1.909 1.00 0.00 C ATOM 0 H PHE A 15 3.917 -6.758 6.455 1.00 0.00 H new ATOM 0 HA PHE A 15 5.032 -9.504 6.355 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.313 -6.822 5.629 1.00 0.00 H new ATOM 0 HB3 PHE A 15 6.894 -8.412 5.176 1.00 0.00 H new ATOM 0 HD1 PHE A 15 5.186 -9.940 3.851 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.842 -5.675 4.213 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.716 -9.888 1.853 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.376 -5.621 2.218 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.807 -7.729 1.041 1.00 0.00 H new ATOM 240 N LEU A 16 6.353 -7.116 8.242 1.00 0.00 N ATOM 241 CA LEU A 16 7.185 -6.936 9.468 1.00 0.00 C ATOM 242 C LEU A 16 6.502 -5.964 10.442 1.00 0.00 C ATOM 243 O LEU A 16 6.761 -4.777 10.431 1.00 0.00 O ATOM 244 CB LEU A 16 8.548 -6.372 9.057 1.00 0.00 C ATOM 245 CG LEU A 16 9.641 -7.401 9.355 1.00 0.00 C ATOM 246 CD1 LEU A 16 10.994 -6.857 8.893 1.00 0.00 C ATOM 247 CD2 LEU A 16 9.689 -7.671 10.861 1.00 0.00 C ATOM 0 H LEU A 16 6.054 -6.253 7.789 1.00 0.00 H new ATOM 0 HA LEU A 16 7.307 -7.898 9.966 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.546 -6.126 7.995 1.00 0.00 H new ATOM 0 HB3 LEU A 16 8.748 -5.447 9.598 1.00 0.00 H new ATOM 0 HG LEU A 16 9.422 -8.328 8.825 1.00 0.00 H new ATOM 0 HD11 LEU A 16 11.772 -7.590 9.105 1.00 0.00 H new ATOM 0 HD12 LEU A 16 10.961 -6.663 7.821 1.00 0.00 H new ATOM 0 HD13 LEU A 16 11.214 -5.930 9.423 1.00 0.00 H new ATOM 0 HD21 LEU A 16 10.467 -8.404 11.075 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.909 -6.744 11.390 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.725 -8.058 11.192 1.00 0.00 H new ATOM 259 N PRO A 17 5.650 -6.470 11.293 1.00 0.00 N ATOM 260 CA PRO A 17 4.935 -5.657 12.304 1.00 0.00 C ATOM 261 C PRO A 17 5.694 -5.592 13.634 1.00 0.00 C ATOM 262 O PRO A 17 5.456 -4.725 14.451 1.00 0.00 O ATOM 263 CB PRO A 17 3.618 -6.403 12.478 1.00 0.00 C ATOM 264 CG PRO A 17 3.900 -7.828 12.112 1.00 0.00 C ATOM 265 CD PRO A 17 5.252 -7.876 11.385 1.00 0.00 C ATOM 0 HA PRO A 17 4.817 -4.619 11.992 1.00 0.00 H new ATOM 0 HB2 PRO A 17 3.259 -6.327 13.504 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.843 -5.982 11.838 1.00 0.00 H new ATOM 0 HG2 PRO A 17 3.926 -8.452 13.005 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.110 -8.220 11.472 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.984 -8.463 11.940 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.160 -8.331 10.399 1.00 0.00 H new ATOM 273 N ASP A 18 6.605 -6.504 13.860 1.00 0.00 N ATOM 274 CA ASP A 18 7.371 -6.484 15.136 1.00 0.00 C ATOM 275 C ASP A 18 8.414 -5.373 15.064 1.00 0.00 C ATOM 276 O ASP A 18 9.096 -5.074 16.023 1.00 0.00 O ATOM 277 CB ASP A 18 8.064 -7.829 15.328 1.00 0.00 C ATOM 278 CG ASP A 18 7.015 -8.918 15.565 1.00 0.00 C ATOM 279 OD1 ASP A 18 5.868 -8.569 15.791 1.00 0.00 O ATOM 280 OD2 ASP A 18 7.376 -10.082 15.516 1.00 0.00 O ATOM 0 H ASP A 18 6.849 -7.258 13.217 1.00 0.00 H new ATOM 0 HA ASP A 18 6.699 -6.304 15.975 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.661 -8.071 14.449 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.749 -7.779 16.175 1.00 0.00 H new ATOM 285 N VAL A 19 8.516 -4.745 13.927 1.00 0.00 N ATOM 286 CA VAL A 19 9.481 -3.627 13.760 1.00 0.00 C ATOM 287 C VAL A 19 8.677 -2.350 13.540 1.00 0.00 C ATOM 288 O VAL A 19 7.657 -2.365 12.879 1.00 0.00 O ATOM 289 CB VAL A 19 10.376 -3.891 12.546 1.00 0.00 C ATOM 290 CG1 VAL A 19 11.423 -2.782 12.432 1.00 0.00 C ATOM 291 CG2 VAL A 19 11.079 -5.239 12.715 1.00 0.00 C ATOM 0 H VAL A 19 7.964 -4.962 13.097 1.00 0.00 H new ATOM 0 HA VAL A 19 10.114 -3.534 14.642 1.00 0.00 H new ATOM 0 HB VAL A 19 9.766 -3.909 11.643 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.060 -2.970 11.568 1.00 0.00 H new ATOM 0 HG12 VAL A 19 10.923 -1.821 12.312 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.033 -2.763 13.335 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.716 -5.428 11.851 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.688 -5.221 13.619 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.334 -6.030 12.796 1.00 0.00 H new ATOM 301 N ALA A 20 9.099 -1.246 14.086 1.00 0.00 N ATOM 302 CA ALA A 20 8.310 -0.004 13.887 1.00 0.00 C ATOM 303 C ALA A 20 8.261 0.311 12.383 1.00 0.00 C ATOM 304 O ALA A 20 9.278 0.577 11.780 1.00 0.00 O ATOM 305 CB ALA A 20 8.993 1.151 14.621 1.00 0.00 C ATOM 0 H ALA A 20 9.942 -1.151 14.652 1.00 0.00 H new ATOM 0 HA ALA A 20 7.300 -0.136 14.276 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.417 2.065 14.477 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.051 0.922 15.685 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.999 1.290 14.224 1.00 0.00 H new ATOM 311 N PRO A 21 7.098 0.287 11.770 1.00 0.00 N ATOM 312 CA PRO A 21 6.980 0.583 10.318 1.00 0.00 C ATOM 313 C PRO A 21 7.393 2.024 10.006 1.00 0.00 C ATOM 314 O PRO A 21 7.783 2.348 8.903 1.00 0.00 O ATOM 315 CB PRO A 21 5.508 0.333 9.969 1.00 0.00 C ATOM 316 CG PRO A 21 4.780 0.050 11.247 1.00 0.00 C ATOM 317 CD PRO A 21 5.797 -0.017 12.386 1.00 0.00 C ATOM 0 HA PRO A 21 7.644 -0.046 9.725 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.080 1.202 9.469 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.415 -0.508 9.281 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.044 0.830 11.443 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.235 -0.891 11.171 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.556 0.701 13.170 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.803 -1.004 12.849 1.00 0.00 H new ATOM 325 N ALA A 22 7.314 2.887 10.981 1.00 0.00 N ATOM 326 CA ALA A 22 7.707 4.308 10.765 1.00 0.00 C ATOM 327 C ALA A 22 9.232 4.426 10.690 1.00 0.00 C ATOM 328 O ALA A 22 9.764 5.439 10.283 1.00 0.00 O ATOM 329 CB ALA A 22 7.187 5.162 11.923 1.00 0.00 C ATOM 0 H ALA A 22 6.992 2.667 11.924 1.00 0.00 H new ATOM 0 HA ALA A 22 7.276 4.658 9.827 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.474 6.202 11.766 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.100 5.089 11.970 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.615 4.805 12.859 1.00 0.00 H new ATOM 335 N ASP A 23 9.944 3.405 11.086 1.00 0.00 N ATOM 336 CA ASP A 23 11.432 3.478 11.041 1.00 0.00 C ATOM 337 C ASP A 23 11.909 3.145 9.631 1.00 0.00 C ATOM 338 O ASP A 23 13.090 3.018 9.375 1.00 0.00 O ATOM 339 CB ASP A 23 12.042 2.491 12.044 1.00 0.00 C ATOM 340 CG ASP A 23 11.756 1.051 11.610 1.00 0.00 C ATOM 341 OD1 ASP A 23 12.022 0.156 12.395 1.00 0.00 O ATOM 342 OD2 ASP A 23 11.270 0.864 10.506 1.00 0.00 O ATOM 0 H ASP A 23 9.561 2.527 11.437 1.00 0.00 H new ATOM 0 HA ASP A 23 11.751 4.486 11.307 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.118 2.651 12.114 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.629 2.668 13.037 1.00 0.00 H new ATOM 347 N VAL A 24 10.997 3.015 8.712 1.00 0.00 N ATOM 348 CA VAL A 24 11.391 2.704 7.315 1.00 0.00 C ATOM 349 C VAL A 24 11.349 3.995 6.503 1.00 0.00 C ATOM 350 O VAL A 24 10.424 4.776 6.612 1.00 0.00 O ATOM 351 CB VAL A 24 10.414 1.689 6.717 1.00 0.00 C ATOM 352 CG1 VAL A 24 10.873 1.306 5.310 1.00 0.00 C ATOM 353 CG2 VAL A 24 10.379 0.439 7.600 1.00 0.00 C ATOM 0 H VAL A 24 9.994 3.111 8.869 1.00 0.00 H new ATOM 0 HA VAL A 24 12.395 2.281 7.295 1.00 0.00 H new ATOM 0 HB VAL A 24 9.418 2.128 6.666 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.177 0.583 4.884 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.901 2.196 4.682 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.869 0.865 5.359 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.684 -0.286 7.177 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.376 0.000 7.649 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.053 0.712 8.604 1.00 0.00 H new ATOM 363 N ASP A 25 12.344 4.240 5.700 1.00 0.00 N ATOM 364 CA ASP A 25 12.349 5.493 4.901 1.00 0.00 C ATOM 365 C ASP A 25 11.184 5.469 3.913 1.00 0.00 C ATOM 366 O ASP A 25 11.329 5.061 2.779 1.00 0.00 O ATOM 367 CB ASP A 25 13.668 5.603 4.133 1.00 0.00 C ATOM 368 CG ASP A 25 14.821 5.792 5.120 1.00 0.00 C ATOM 369 OD1 ASP A 25 14.545 6.060 6.279 1.00 0.00 O ATOM 370 OD2 ASP A 25 15.960 5.664 4.703 1.00 0.00 O ATOM 0 H ASP A 25 13.150 3.630 5.563 1.00 0.00 H new ATOM 0 HA ASP A 25 12.244 6.350 5.566 1.00 0.00 H new ATOM 0 HB2 ASP A 25 13.830 4.705 3.537 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.628 6.443 3.440 1.00 0.00 H new ATOM 375 N VAL A 26 10.027 5.907 4.335 1.00 0.00 N ATOM 376 CA VAL A 26 8.858 5.908 3.410 1.00 0.00 C ATOM 377 C VAL A 26 9.155 6.821 2.218 1.00 0.00 C ATOM 378 O VAL A 26 8.315 7.042 1.367 1.00 0.00 O ATOM 379 CB VAL A 26 7.622 6.422 4.151 1.00 0.00 C ATOM 380 CG1 VAL A 26 7.406 5.594 5.420 1.00 0.00 C ATOM 381 CG2 VAL A 26 7.830 7.890 4.530 1.00 0.00 C ATOM 0 H VAL A 26 9.842 6.262 5.273 1.00 0.00 H new ATOM 0 HA VAL A 26 8.673 4.894 3.055 1.00 0.00 H new ATOM 0 HB VAL A 26 6.748 6.332 3.506 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.525 5.960 5.948 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.259 4.548 5.151 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.279 5.683 6.066 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.950 8.258 5.058 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.704 7.979 5.175 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.984 8.481 3.627 1.00 0.00 H new ATOM 391 N ASP A 27 10.352 7.337 2.139 1.00 0.00 N ATOM 392 CA ASP A 27 10.714 8.216 0.993 1.00 0.00 C ATOM 393 C ASP A 27 11.509 7.388 -0.018 1.00 0.00 C ATOM 394 O ASP A 27 12.013 7.894 -1.001 1.00 0.00 O ATOM 395 CB ASP A 27 11.571 9.383 1.489 1.00 0.00 C ATOM 396 CG ASP A 27 10.731 10.284 2.395 1.00 0.00 C ATOM 397 OD1 ASP A 27 11.310 11.121 3.067 1.00 0.00 O ATOM 398 OD2 ASP A 27 9.522 10.121 2.403 1.00 0.00 O ATOM 0 H ASP A 27 11.095 7.187 2.821 1.00 0.00 H new ATOM 0 HA ASP A 27 9.813 8.614 0.527 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.436 9.006 2.034 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.952 9.954 0.642 1.00 0.00 H new ATOM 403 N LEU A 28 11.621 6.113 0.230 1.00 0.00 N ATOM 404 CA LEU A 28 12.379 5.223 -0.692 1.00 0.00 C ATOM 405 C LEU A 28 11.409 4.532 -1.642 1.00 0.00 C ATOM 406 O LEU A 28 10.329 4.128 -1.255 1.00 0.00 O ATOM 407 CB LEU A 28 13.118 4.162 0.123 1.00 0.00 C ATOM 408 CG LEU A 28 13.953 3.277 -0.808 1.00 0.00 C ATOM 409 CD1 LEU A 28 15.440 3.543 -0.569 1.00 0.00 C ATOM 410 CD2 LEU A 28 13.643 1.805 -0.523 1.00 0.00 C ATOM 0 H LEU A 28 11.215 5.645 1.041 1.00 0.00 H new ATOM 0 HA LEU A 28 13.094 5.816 -1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.763 4.641 0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.403 3.552 0.675 1.00 0.00 H new ATOM 0 HG LEU A 28 13.708 3.506 -1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 28 16.033 2.913 -1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.659 4.591 -0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.688 3.315 0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.236 1.174 -1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.888 1.576 0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.583 1.616 -0.695 1.00 0.00 H new ATOM 422 N ASP A 29 11.784 4.375 -2.878 1.00 0.00 N ATOM 423 CA ASP A 29 10.875 3.693 -3.830 1.00 0.00 C ATOM 424 C ASP A 29 10.624 2.280 -3.308 1.00 0.00 C ATOM 425 O ASP A 29 11.544 1.512 -3.108 1.00 0.00 O ATOM 426 CB ASP A 29 11.533 3.627 -5.211 1.00 0.00 C ATOM 427 CG ASP A 29 11.653 5.038 -5.787 1.00 0.00 C ATOM 428 OD1 ASP A 29 12.357 5.197 -6.772 1.00 0.00 O ATOM 429 OD2 ASP A 29 11.040 5.937 -5.236 1.00 0.00 O ATOM 0 H ASP A 29 12.674 4.687 -3.266 1.00 0.00 H new ATOM 0 HA ASP A 29 9.935 4.237 -3.918 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.519 3.169 -5.134 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.941 3.000 -5.878 1.00 0.00 H new ATOM 434 N LEU A 30 9.392 1.937 -3.065 1.00 0.00 N ATOM 435 CA LEU A 30 9.098 0.580 -2.532 1.00 0.00 C ATOM 436 C LEU A 30 9.391 -0.474 -3.604 1.00 0.00 C ATOM 437 O LEU A 30 9.085 -1.638 -3.442 1.00 0.00 O ATOM 438 CB LEU A 30 7.627 0.505 -2.103 1.00 0.00 C ATOM 439 CG LEU A 30 6.719 0.531 -3.336 1.00 0.00 C ATOM 440 CD1 LEU A 30 6.073 -0.843 -3.532 1.00 0.00 C ATOM 441 CD2 LEU A 30 5.621 1.577 -3.135 1.00 0.00 C ATOM 0 H LEU A 30 8.579 2.535 -3.212 1.00 0.00 H new ATOM 0 HA LEU A 30 9.731 0.385 -1.667 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.452 -0.407 -1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.388 1.342 -1.447 1.00 0.00 H new ATOM 0 HG LEU A 30 7.313 0.782 -4.215 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.428 -0.820 -4.410 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.851 -1.594 -3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.480 -1.095 -2.653 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.973 1.598 -4.011 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.032 1.321 -2.254 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.074 2.558 -2.996 1.00 0.00 H new ATOM 453 N VAL A 31 9.985 -0.078 -4.698 1.00 0.00 N ATOM 454 CA VAL A 31 10.291 -1.067 -5.769 1.00 0.00 C ATOM 455 C VAL A 31 11.018 -2.259 -5.151 1.00 0.00 C ATOM 456 O VAL A 31 10.756 -3.398 -5.484 1.00 0.00 O ATOM 457 CB VAL A 31 11.177 -0.417 -6.833 1.00 0.00 C ATOM 458 CG1 VAL A 31 12.605 -0.289 -6.300 1.00 0.00 C ATOM 459 CG2 VAL A 31 11.181 -1.287 -8.092 1.00 0.00 C ATOM 0 H VAL A 31 10.270 0.882 -4.895 1.00 0.00 H new ATOM 0 HA VAL A 31 9.365 -1.403 -6.235 1.00 0.00 H new ATOM 0 HB VAL A 31 10.789 0.573 -7.074 1.00 0.00 H new ATOM 0 HG11 VAL A 31 13.236 0.174 -7.058 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.604 0.329 -5.402 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.994 -1.279 -6.059 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.812 -0.825 -8.851 1.00 0.00 H new ATOM 0 HG22 VAL A 31 11.570 -2.276 -7.850 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.164 -1.380 -8.473 1.00 0.00 H new ATOM 469 N ASP A 32 11.909 -2.011 -4.234 1.00 0.00 N ATOM 470 CA ASP A 32 12.624 -3.139 -3.579 1.00 0.00 C ATOM 471 C ASP A 32 11.574 -4.048 -2.945 1.00 0.00 C ATOM 472 O ASP A 32 11.703 -5.255 -2.922 1.00 0.00 O ATOM 473 CB ASP A 32 13.564 -2.599 -2.498 1.00 0.00 C ATOM 474 CG ASP A 32 14.455 -3.731 -1.985 1.00 0.00 C ATOM 475 OD1 ASP A 32 14.387 -4.813 -2.545 1.00 0.00 O ATOM 476 OD2 ASP A 32 15.193 -3.497 -1.041 1.00 0.00 O ATOM 0 H ASP A 32 12.172 -1.080 -3.911 1.00 0.00 H new ATOM 0 HA ASP A 32 13.217 -3.691 -4.308 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.177 -1.794 -2.903 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.986 -2.176 -1.676 1.00 0.00 H new ATOM 481 N ASN A 33 10.525 -3.458 -2.444 1.00 0.00 N ATOM 482 CA ASN A 33 9.433 -4.247 -1.820 1.00 0.00 C ATOM 483 C ASN A 33 8.463 -4.693 -2.910 1.00 0.00 C ATOM 484 O ASN A 33 7.353 -5.106 -2.639 1.00 0.00 O ATOM 485 CB ASN A 33 8.695 -3.384 -0.804 1.00 0.00 C ATOM 486 CG ASN A 33 9.683 -2.877 0.243 1.00 0.00 C ATOM 487 OD1 ASN A 33 10.473 -3.635 0.770 1.00 0.00 O ATOM 488 ND2 ASN A 33 9.678 -1.616 0.557 1.00 0.00 N ATOM 0 H ASN A 33 10.378 -2.449 -2.442 1.00 0.00 H new ATOM 0 HA ASN A 33 9.849 -5.118 -1.314 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.215 -2.543 -1.305 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.905 -3.962 -0.325 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.339 -1.260 1.248 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.014 -0.982 0.113 1.00 0.00 H new ATOM 495 N GLY A 34 8.875 -4.597 -4.146 1.00 0.00 N ATOM 496 CA GLY A 34 7.990 -5.005 -5.273 1.00 0.00 C ATOM 497 C GLY A 34 7.286 -6.312 -4.917 1.00 0.00 C ATOM 498 O GLY A 34 6.320 -6.700 -5.540 1.00 0.00 O ATOM 0 H GLY A 34 9.793 -4.251 -4.424 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.255 -4.226 -5.473 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.576 -5.131 -6.183 1.00 0.00 H new ATOM 502 N VAL A 35 7.756 -6.991 -3.911 1.00 0.00 N ATOM 503 CA VAL A 35 7.101 -8.266 -3.512 1.00 0.00 C ATOM 504 C VAL A 35 5.602 -8.016 -3.335 1.00 0.00 C ATOM 505 O VAL A 35 4.779 -8.855 -3.644 1.00 0.00 O ATOM 506 CB VAL A 35 7.698 -8.753 -2.189 1.00 0.00 C ATOM 507 CG1 VAL A 35 6.852 -9.898 -1.632 1.00 0.00 C ATOM 508 CG2 VAL A 35 9.127 -9.245 -2.427 1.00 0.00 C ATOM 0 H VAL A 35 8.563 -6.720 -3.349 1.00 0.00 H new ATOM 0 HA VAL A 35 7.262 -9.023 -4.279 1.00 0.00 H new ATOM 0 HB VAL A 35 7.708 -7.931 -1.473 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.280 -10.242 -0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.834 -9.548 -1.462 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.838 -10.721 -2.346 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.554 -9.592 -1.486 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.115 -10.066 -3.144 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.732 -8.428 -2.820 1.00 0.00 H new ATOM 518 N ILE A 36 5.247 -6.867 -2.830 1.00 0.00 N ATOM 519 CA ILE A 36 3.806 -6.550 -2.620 1.00 0.00 C ATOM 520 C ILE A 36 3.107 -6.341 -3.964 1.00 0.00 C ATOM 521 O ILE A 36 1.908 -6.487 -4.082 1.00 0.00 O ATOM 522 CB ILE A 36 3.694 -5.253 -1.821 1.00 0.00 C ATOM 523 CG1 ILE A 36 2.350 -5.217 -1.102 1.00 0.00 C ATOM 524 CG2 ILE A 36 3.783 -4.060 -2.776 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.154 -3.849 -0.452 1.00 0.00 C ATOM 0 H ILE A 36 5.896 -6.131 -2.552 1.00 0.00 H new ATOM 0 HA ILE A 36 3.338 -7.378 -2.088 1.00 0.00 H new ATOM 0 HB ILE A 36 4.503 -5.203 -1.092 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.543 -5.415 -1.808 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.310 -6.000 -0.345 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.703 -3.133 -2.208 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.739 -4.084 -3.300 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.971 -4.113 -3.501 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.193 -3.825 0.062 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.954 -3.669 0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.175 -3.075 -1.219 1.00 0.00 H new ATOM 537 N ASP A 37 3.843 -5.970 -4.967 1.00 0.00 N ATOM 538 CA ASP A 37 3.223 -5.714 -6.299 1.00 0.00 C ATOM 539 C ASP A 37 2.519 -6.967 -6.829 1.00 0.00 C ATOM 540 O ASP A 37 1.523 -6.873 -7.518 1.00 0.00 O ATOM 541 CB ASP A 37 4.305 -5.288 -7.293 1.00 0.00 C ATOM 542 CG ASP A 37 4.901 -3.948 -6.857 1.00 0.00 C ATOM 543 OD1 ASP A 37 5.946 -3.590 -7.376 1.00 0.00 O ATOM 544 OD2 ASP A 37 4.304 -3.303 -6.011 1.00 0.00 O ATOM 0 H ASP A 37 4.853 -5.831 -4.926 1.00 0.00 H new ATOM 0 HA ASP A 37 2.484 -4.921 -6.185 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.086 -6.046 -7.343 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.881 -5.201 -8.293 1.00 0.00 H new ATOM 549 N SER A 38 3.036 -8.132 -6.547 1.00 0.00 N ATOM 550 CA SER A 38 2.392 -9.370 -7.074 1.00 0.00 C ATOM 551 C SER A 38 1.640 -10.124 -5.973 1.00 0.00 C ATOM 552 O SER A 38 0.438 -10.285 -6.032 1.00 0.00 O ATOM 553 CB SER A 38 3.467 -10.277 -7.672 1.00 0.00 C ATOM 554 OG SER A 38 4.283 -9.513 -8.569 1.00 0.00 O ATOM 0 H SER A 38 3.870 -8.280 -5.979 1.00 0.00 H new ATOM 0 HA SER A 38 1.669 -9.083 -7.838 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.080 -10.706 -6.879 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.004 -11.109 -8.202 1.00 0.00 H new ATOM 0 HG SER A 38 4.975 -10.090 -8.954 1.00 0.00 H new ATOM 559 N LEU A 39 2.338 -10.619 -4.987 1.00 0.00 N ATOM 560 CA LEU A 39 1.651 -11.395 -3.913 1.00 0.00 C ATOM 561 C LEU A 39 0.812 -10.479 -3.021 1.00 0.00 C ATOM 562 O LEU A 39 -0.357 -10.722 -2.794 1.00 0.00 O ATOM 563 CB LEU A 39 2.693 -12.114 -3.054 1.00 0.00 C ATOM 564 CG LEU A 39 3.210 -13.354 -3.790 1.00 0.00 C ATOM 565 CD1 LEU A 39 2.085 -14.384 -3.929 1.00 0.00 C ATOM 566 CD2 LEU A 39 3.706 -12.954 -5.181 1.00 0.00 C ATOM 0 H LEU A 39 3.347 -10.521 -4.878 1.00 0.00 H new ATOM 0 HA LEU A 39 0.989 -12.119 -4.388 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.521 -11.441 -2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.253 -12.404 -2.100 1.00 0.00 H new ATOM 0 HG LEU A 39 4.030 -13.791 -3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.459 -15.263 -4.453 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.733 -14.674 -2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.261 -13.948 -4.494 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.074 -13.837 -5.704 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.886 -12.513 -5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.513 -12.227 -5.085 1.00 0.00 H new ATOM 578 N GLY A 40 1.394 -9.438 -2.507 1.00 0.00 N ATOM 579 CA GLY A 40 0.625 -8.520 -1.622 1.00 0.00 C ATOM 580 C GLY A 40 -0.463 -7.818 -2.428 1.00 0.00 C ATOM 581 O GLY A 40 -1.554 -7.583 -1.948 1.00 0.00 O ATOM 0 H GLY A 40 2.369 -9.180 -2.660 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.178 -9.081 -0.801 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.294 -7.783 -1.177 1.00 0.00 H new ATOM 585 N LEU A 41 -0.172 -7.475 -3.650 1.00 0.00 N ATOM 586 CA LEU A 41 -1.185 -6.783 -4.487 1.00 0.00 C ATOM 587 C LEU A 41 -2.423 -7.667 -4.605 1.00 0.00 C ATOM 588 O LEU A 41 -3.542 -7.198 -4.538 1.00 0.00 O ATOM 589 CB LEU A 41 -0.596 -6.533 -5.877 1.00 0.00 C ATOM 590 CG LEU A 41 -1.557 -5.675 -6.699 1.00 0.00 C ATOM 591 CD1 LEU A 41 -1.244 -4.198 -6.463 1.00 0.00 C ATOM 592 CD2 LEU A 41 -1.390 -6.003 -8.184 1.00 0.00 C ATOM 0 H LEU A 41 0.725 -7.645 -4.105 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.461 -5.832 -4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.368 -6.033 -5.789 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.418 -7.482 -6.383 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.583 -5.883 -6.396 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.928 -3.583 -7.048 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.362 -3.966 -5.405 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.218 -3.990 -6.768 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.075 -5.391 -8.771 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.365 -5.794 -8.490 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.611 -7.057 -8.351 1.00 0.00 H new ATOM 604 N LEU A 42 -2.233 -8.945 -4.769 1.00 0.00 N ATOM 605 CA LEU A 42 -3.403 -9.859 -4.879 1.00 0.00 C ATOM 606 C LEU A 42 -4.169 -9.841 -3.555 1.00 0.00 C ATOM 607 O LEU A 42 -5.382 -9.776 -3.524 1.00 0.00 O ATOM 608 CB LEU A 42 -2.915 -11.281 -5.172 1.00 0.00 C ATOM 609 CG LEU A 42 -4.111 -12.193 -5.443 1.00 0.00 C ATOM 610 CD1 LEU A 42 -4.524 -12.061 -6.905 1.00 0.00 C ATOM 611 CD2 LEU A 42 -3.720 -13.644 -5.153 1.00 0.00 C ATOM 0 H LEU A 42 -1.320 -9.396 -4.832 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.056 -9.532 -5.688 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.247 -11.276 -6.034 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.341 -11.660 -4.326 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.943 -11.906 -4.801 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.377 -12.710 -7.102 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.799 -11.027 -7.113 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.691 -12.351 -7.546 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.572 -14.296 -5.346 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.889 -13.933 -5.797 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.420 -13.738 -4.109 1.00 0.00 H new ATOM 623 N LYS A 43 -3.463 -9.889 -2.457 1.00 0.00 N ATOM 624 CA LYS A 43 -4.137 -9.865 -1.132 1.00 0.00 C ATOM 625 C LYS A 43 -4.854 -8.527 -0.948 1.00 0.00 C ATOM 626 O LYS A 43 -5.922 -8.456 -0.373 1.00 0.00 O ATOM 627 CB LYS A 43 -3.091 -10.039 -0.034 1.00 0.00 C ATOM 628 CG LYS A 43 -2.464 -11.431 -0.140 1.00 0.00 C ATOM 629 CD LYS A 43 -1.393 -11.592 0.941 1.00 0.00 C ATOM 630 CE LYS A 43 -2.047 -11.542 2.325 1.00 0.00 C ATOM 631 NZ LYS A 43 -1.881 -10.179 2.902 1.00 0.00 N ATOM 0 H LYS A 43 -2.445 -9.944 -2.423 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.865 -10.675 -1.076 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.320 -9.274 -0.127 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.552 -9.910 0.945 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.231 -12.197 -0.024 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.023 -11.569 -1.127 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.869 -12.539 0.810 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.649 -10.801 0.851 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.106 -11.790 2.248 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.593 -12.284 2.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.126 -10.194 3.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.629 -9.510 2.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.772 -9.879 3.346 1.00 0.00 H new ATOM 645 N VAL A 44 -4.269 -7.464 -1.429 1.00 0.00 N ATOM 646 CA VAL A 44 -4.907 -6.126 -1.280 1.00 0.00 C ATOM 647 C VAL A 44 -6.272 -6.122 -1.967 1.00 0.00 C ATOM 648 O VAL A 44 -7.241 -5.613 -1.441 1.00 0.00 O ATOM 649 CB VAL A 44 -4.015 -5.069 -1.927 1.00 0.00 C ATOM 650 CG1 VAL A 44 -4.762 -3.738 -1.979 1.00 0.00 C ATOM 651 CG2 VAL A 44 -2.740 -4.909 -1.097 1.00 0.00 C ATOM 0 H VAL A 44 -3.375 -7.465 -1.920 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.037 -5.905 -0.221 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.755 -5.377 -2.940 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.127 -2.982 -2.441 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.673 -3.855 -2.566 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.020 -3.426 -0.967 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.100 -4.155 -1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.001 -4.597 -0.086 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.209 -5.860 -1.058 1.00 0.00 H new ATOM 661 N ILE A 45 -6.358 -6.685 -3.138 1.00 0.00 N ATOM 662 CA ILE A 45 -7.659 -6.714 -3.857 1.00 0.00 C ATOM 663 C ILE A 45 -8.690 -7.469 -3.016 1.00 0.00 C ATOM 664 O ILE A 45 -9.793 -7.005 -2.801 1.00 0.00 O ATOM 665 CB ILE A 45 -7.470 -7.422 -5.201 1.00 0.00 C ATOM 666 CG1 ILE A 45 -7.167 -6.387 -6.288 1.00 0.00 C ATOM 667 CG2 ILE A 45 -8.741 -8.188 -5.565 1.00 0.00 C ATOM 668 CD1 ILE A 45 -5.821 -5.719 -6.000 1.00 0.00 C ATOM 0 H ILE A 45 -5.581 -7.127 -3.629 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.012 -5.697 -4.026 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.638 -8.122 -5.124 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.144 -6.868 -7.266 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.957 -5.637 -6.320 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.602 -8.690 -6.522 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.953 -8.929 -4.794 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.577 -7.492 -5.639 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.607 -4.983 -6.775 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.861 -5.224 -5.030 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.035 -6.474 -5.990 1.00 0.00 H new ATOM 680 N ALA A 46 -8.340 -8.632 -2.545 1.00 0.00 N ATOM 681 CA ALA A 46 -9.296 -9.426 -1.723 1.00 0.00 C ATOM 682 C ALA A 46 -9.608 -8.682 -0.423 1.00 0.00 C ATOM 683 O ALA A 46 -10.739 -8.632 0.018 1.00 0.00 O ATOM 684 CB ALA A 46 -8.660 -10.775 -1.390 1.00 0.00 C ATOM 0 H ALA A 46 -7.430 -9.069 -2.694 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.220 -9.574 -2.281 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.352 -11.365 -0.788 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.436 -11.309 -2.313 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.738 -10.615 -0.831 1.00 0.00 H new ATOM 690 N TRP A 47 -8.615 -8.109 0.194 1.00 0.00 N ATOM 691 CA TRP A 47 -8.851 -7.372 1.466 1.00 0.00 C ATOM 692 C TRP A 47 -9.601 -6.072 1.179 1.00 0.00 C ATOM 693 O TRP A 47 -10.493 -5.685 1.908 1.00 0.00 O ATOM 694 CB TRP A 47 -7.506 -7.059 2.122 1.00 0.00 C ATOM 695 CG TRP A 47 -7.622 -5.811 2.935 1.00 0.00 C ATOM 696 CD1 TRP A 47 -8.037 -5.753 4.222 1.00 0.00 C ATOM 697 CD2 TRP A 47 -7.323 -4.443 2.539 1.00 0.00 C ATOM 698 NE1 TRP A 47 -8.009 -4.433 4.640 1.00 0.00 N ATOM 699 CE2 TRP A 47 -7.575 -3.589 3.637 1.00 0.00 C ATOM 700 CE3 TRP A 47 -6.860 -3.869 1.343 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -7.374 -2.211 3.550 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -6.656 -2.484 1.252 1.00 0.00 C ATOM 703 CH2 TRP A 47 -6.913 -1.658 2.352 1.00 0.00 C ATOM 0 H TRP A 47 -7.647 -8.119 -0.128 1.00 0.00 H new ATOM 0 HA TRP A 47 -9.451 -7.986 2.138 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.197 -7.890 2.756 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -6.737 -6.937 1.359 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.340 -6.597 4.824 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -8.276 -4.122 5.574 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -6.660 -4.498 0.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.573 -1.577 4.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -6.299 -2.053 0.328 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.755 -0.592 2.275 1.00 0.00 H new ATOM 714 N LEU A 48 -9.243 -5.392 0.127 1.00 0.00 N ATOM 715 CA LEU A 48 -9.930 -4.115 -0.199 1.00 0.00 C ATOM 716 C LEU A 48 -11.426 -4.372 -0.382 1.00 0.00 C ATOM 717 O LEU A 48 -12.257 -3.664 0.153 1.00 0.00 O ATOM 718 CB LEU A 48 -9.342 -3.555 -1.496 1.00 0.00 C ATOM 719 CG LEU A 48 -9.902 -2.164 -1.764 1.00 0.00 C ATOM 720 CD1 LEU A 48 -9.091 -1.140 -0.977 1.00 0.00 C ATOM 721 CD2 LEU A 48 -9.801 -1.858 -3.259 1.00 0.00 C ATOM 0 H LEU A 48 -8.504 -5.666 -0.521 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.787 -3.399 0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.255 -3.511 -1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.579 -4.218 -2.328 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.946 -2.119 -1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.486 -0.142 -1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.158 -1.363 0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.048 -1.182 -1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -10.201 -0.863 -3.455 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.757 -1.897 -3.569 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.373 -2.596 -3.821 1.00 0.00 H new ATOM 733 N GLU A 49 -11.777 -5.389 -1.118 1.00 0.00 N ATOM 734 CA GLU A 49 -13.220 -5.698 -1.315 1.00 0.00 C ATOM 735 C GLU A 49 -13.829 -6.107 0.025 1.00 0.00 C ATOM 736 O GLU A 49 -14.942 -5.751 0.349 1.00 0.00 O ATOM 737 CB GLU A 49 -13.357 -6.837 -2.338 1.00 0.00 C ATOM 738 CG GLU A 49 -14.811 -7.299 -2.429 1.00 0.00 C ATOM 739 CD GLU A 49 -14.920 -8.440 -3.442 1.00 0.00 C ATOM 740 OE1 GLU A 49 -16.028 -8.895 -3.675 1.00 0.00 O ATOM 741 OE2 GLU A 49 -13.894 -8.840 -3.966 1.00 0.00 O ATOM 0 H GLU A 49 -11.128 -6.018 -1.591 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.747 -4.821 -1.691 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.014 -6.499 -3.316 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.720 -7.673 -2.048 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.160 -7.632 -1.451 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.450 -6.469 -2.730 1.00 0.00 H new ATOM 748 N ASP A 50 -13.103 -6.851 0.804 1.00 0.00 N ATOM 749 CA ASP A 50 -13.628 -7.289 2.126 1.00 0.00 C ATOM 750 C ASP A 50 -13.782 -6.089 3.067 1.00 0.00 C ATOM 751 O ASP A 50 -14.690 -6.033 3.872 1.00 0.00 O ATOM 752 CB ASP A 50 -12.649 -8.284 2.743 1.00 0.00 C ATOM 753 CG ASP A 50 -13.268 -8.903 3.996 1.00 0.00 C ATOM 754 OD1 ASP A 50 -12.573 -9.644 4.672 1.00 0.00 O ATOM 755 OD2 ASP A 50 -14.427 -8.628 4.259 1.00 0.00 O ATOM 0 H ASP A 50 -12.162 -7.178 0.583 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.604 -7.753 1.984 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.405 -9.064 2.022 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.716 -7.781 2.997 1.00 0.00 H new ATOM 760 N ARG A 51 -12.880 -5.149 2.997 1.00 0.00 N ATOM 761 CA ARG A 51 -12.950 -3.974 3.915 1.00 0.00 C ATOM 762 C ARG A 51 -13.850 -2.861 3.363 1.00 0.00 C ATOM 763 O ARG A 51 -14.715 -2.361 4.056 1.00 0.00 O ATOM 764 CB ARG A 51 -11.540 -3.419 4.124 1.00 0.00 C ATOM 765 CG ARG A 51 -11.583 -2.288 5.154 1.00 0.00 C ATOM 766 CD ARG A 51 -10.178 -1.717 5.346 1.00 0.00 C ATOM 767 NE ARG A 51 -10.200 -0.698 6.433 1.00 0.00 N ATOM 768 CZ ARG A 51 -9.115 -0.443 7.114 1.00 0.00 C ATOM 769 NH1 ARG A 51 -9.137 0.449 8.067 1.00 0.00 N ATOM 770 NH2 ARG A 51 -8.007 -1.077 6.840 1.00 0.00 N ATOM 0 H ARG A 51 -12.097 -5.143 2.344 1.00 0.00 H new ATOM 0 HA ARG A 51 -13.380 -4.313 4.858 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.873 -4.211 4.465 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.139 -3.050 3.180 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.263 -1.504 4.820 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.968 -2.661 6.103 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.480 -2.516 5.596 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.827 -1.266 4.418 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.064 -0.199 6.646 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.001 0.947 8.280 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.290 0.648 8.599 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.988 -1.772 6.094 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.160 -0.877 7.372 1.00 0.00 H new ATOM 784 N PHE A 52 -13.641 -2.434 2.146 1.00 0.00 N ATOM 785 CA PHE A 52 -14.470 -1.322 1.605 1.00 0.00 C ATOM 786 C PHE A 52 -15.676 -1.858 0.832 1.00 0.00 C ATOM 787 O PHE A 52 -16.524 -1.103 0.399 1.00 0.00 O ATOM 788 CB PHE A 52 -13.605 -0.473 0.674 1.00 0.00 C ATOM 789 CG PHE A 52 -12.477 0.148 1.463 1.00 0.00 C ATOM 790 CD1 PHE A 52 -11.225 -0.477 1.504 1.00 0.00 C ATOM 791 CD2 PHE A 52 -12.683 1.348 2.153 1.00 0.00 C ATOM 792 CE1 PHE A 52 -10.179 0.098 2.235 1.00 0.00 C ATOM 793 CE2 PHE A 52 -11.638 1.924 2.884 1.00 0.00 C ATOM 794 CZ PHE A 52 -10.385 1.299 2.925 1.00 0.00 C ATOM 0 H PHE A 52 -12.937 -2.805 1.508 1.00 0.00 H new ATOM 0 HA PHE A 52 -14.840 -0.722 2.437 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.204 -1.090 -0.130 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -14.209 0.306 0.208 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.066 -1.403 0.971 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -13.649 1.830 2.121 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.213 -0.384 2.267 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.797 2.850 3.416 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.578 1.743 3.489 1.00 0.00 H new ATOM 804 N GLY A 53 -15.771 -3.143 0.647 1.00 0.00 N ATOM 805 CA GLY A 53 -16.937 -3.686 -0.106 1.00 0.00 C ATOM 806 C GLY A 53 -16.812 -3.285 -1.576 1.00 0.00 C ATOM 807 O GLY A 53 -17.790 -3.209 -2.295 1.00 0.00 O ATOM 0 H GLY A 53 -15.101 -3.836 0.980 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.972 -4.772 -0.014 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -17.867 -3.300 0.311 1.00 0.00 H new ATOM 811 N ILE A 54 -15.616 -3.022 -2.027 1.00 0.00 N ATOM 812 CA ILE A 54 -15.428 -2.619 -3.450 1.00 0.00 C ATOM 813 C ILE A 54 -15.126 -3.857 -4.293 1.00 0.00 C ATOM 814 O ILE A 54 -14.464 -4.772 -3.852 1.00 0.00 O ATOM 815 CB ILE A 54 -14.259 -1.639 -3.549 1.00 0.00 C ATOM 816 CG1 ILE A 54 -14.543 -0.425 -2.664 1.00 0.00 C ATOM 817 CG2 ILE A 54 -14.092 -1.186 -5.000 1.00 0.00 C ATOM 818 CD1 ILE A 54 -13.285 0.439 -2.563 1.00 0.00 C ATOM 0 H ILE A 54 -14.761 -3.069 -1.472 1.00 0.00 H new ATOM 0 HA ILE A 54 -16.336 -2.142 -3.817 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.343 -2.128 -3.217 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -15.365 0.158 -3.081 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.854 -0.750 -1.671 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -13.258 -0.487 -5.069 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.893 -2.052 -5.631 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -15.006 -0.695 -5.335 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -13.488 1.304 -1.932 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.476 -0.146 -2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.994 0.776 -3.558 1.00 0.00 H new ATOM 830 N ALA A 55 -15.608 -3.898 -5.503 1.00 0.00 N ATOM 831 CA ALA A 55 -15.353 -5.089 -6.360 1.00 0.00 C ATOM 832 C ALA A 55 -13.848 -5.251 -6.563 1.00 0.00 C ATOM 833 O ALA A 55 -13.108 -4.287 -6.610 1.00 0.00 O ATOM 834 CB ALA A 55 -16.034 -4.896 -7.716 1.00 0.00 C ATOM 0 H ALA A 55 -16.166 -3.161 -5.935 1.00 0.00 H new ATOM 0 HA ALA A 55 -15.754 -5.980 -5.877 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -15.848 -5.767 -8.344 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -17.108 -4.776 -7.570 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.633 -4.006 -8.201 1.00 0.00 H new ATOM 840 N ALA A 56 -13.387 -6.466 -6.670 1.00 0.00 N ATOM 841 CA ALA A 56 -11.928 -6.693 -6.853 1.00 0.00 C ATOM 842 C ALA A 56 -11.449 -5.961 -8.108 1.00 0.00 C ATOM 843 O ALA A 56 -10.332 -5.488 -8.171 1.00 0.00 O ATOM 844 CB ALA A 56 -11.662 -8.192 -7.004 1.00 0.00 C ATOM 0 H ALA A 56 -13.958 -7.311 -6.639 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.390 -6.313 -5.985 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.593 -8.360 -7.138 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.002 -8.714 -6.109 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.201 -8.572 -7.872 1.00 0.00 H new ATOM 850 N ASP A 57 -12.284 -5.866 -9.107 1.00 0.00 N ATOM 851 CA ASP A 57 -11.875 -5.165 -10.356 1.00 0.00 C ATOM 852 C ASP A 57 -10.581 -5.786 -10.882 1.00 0.00 C ATOM 853 O ASP A 57 -9.638 -5.095 -11.212 1.00 0.00 O ATOM 854 CB ASP A 57 -11.652 -3.680 -10.066 1.00 0.00 C ATOM 855 CG ASP A 57 -12.976 -3.035 -9.655 1.00 0.00 C ATOM 856 OD1 ASP A 57 -12.939 -1.930 -9.140 1.00 0.00 O ATOM 857 OD2 ASP A 57 -14.005 -3.657 -9.862 1.00 0.00 O ATOM 0 H ASP A 57 -13.231 -6.244 -9.112 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.661 -5.268 -11.105 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -10.915 -3.561 -9.272 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.252 -3.182 -10.949 1.00 0.00 H new ATOM 862 N ASP A 58 -10.530 -7.087 -10.956 1.00 0.00 N ATOM 863 CA ASP A 58 -9.298 -7.760 -11.453 1.00 0.00 C ATOM 864 C ASP A 58 -8.756 -7.016 -12.677 1.00 0.00 C ATOM 865 O ASP A 58 -9.112 -7.307 -13.801 1.00 0.00 O ATOM 866 CB ASP A 58 -9.633 -9.200 -11.838 1.00 0.00 C ATOM 867 CG ASP A 58 -9.954 -10.005 -10.578 1.00 0.00 C ATOM 868 OD1 ASP A 58 -10.438 -11.117 -10.716 1.00 0.00 O ATOM 869 OD2 ASP A 58 -9.708 -9.498 -9.496 1.00 0.00 O ATOM 0 H ASP A 58 -11.290 -7.714 -10.693 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.541 -7.755 -10.669 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.484 -9.217 -12.519 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.793 -9.651 -12.366 1.00 0.00 H new ATOM 874 N VAL A 59 -7.892 -6.062 -12.459 1.00 0.00 N ATOM 875 CA VAL A 59 -7.311 -5.293 -13.596 1.00 0.00 C ATOM 876 C VAL A 59 -5.785 -5.352 -13.511 1.00 0.00 C ATOM 877 O VAL A 59 -5.213 -5.259 -12.443 1.00 0.00 O ATOM 878 CB VAL A 59 -7.770 -3.838 -13.520 1.00 0.00 C ATOM 879 CG1 VAL A 59 -7.254 -3.074 -14.739 1.00 0.00 C ATOM 880 CG2 VAL A 59 -9.299 -3.787 -13.495 1.00 0.00 C ATOM 0 H VAL A 59 -7.562 -5.781 -11.536 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.645 -5.725 -14.539 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.376 -3.380 -12.613 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.582 -2.036 -14.684 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.165 -3.110 -14.756 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.647 -3.531 -15.648 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.628 -2.749 -13.441 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.693 -4.246 -14.402 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.667 -4.330 -12.624 1.00 0.00 H new ATOM 890 N GLU A 60 -5.116 -5.509 -14.621 1.00 0.00 N ATOM 891 CA GLU A 60 -3.629 -5.575 -14.577 1.00 0.00 C ATOM 892 C GLU A 60 -3.059 -4.178 -14.333 1.00 0.00 C ATOM 893 O GLU A 60 -3.425 -3.223 -14.988 1.00 0.00 O ATOM 894 CB GLU A 60 -3.098 -6.116 -15.905 1.00 0.00 C ATOM 895 CG GLU A 60 -1.583 -6.251 -15.819 1.00 0.00 C ATOM 896 CD GLU A 60 -1.035 -6.761 -17.154 1.00 0.00 C ATOM 897 OE1 GLU A 60 0.165 -6.963 -17.241 1.00 0.00 O ATOM 898 OE2 GLU A 60 -1.825 -6.939 -18.067 1.00 0.00 O ATOM 0 H GLU A 60 -5.531 -5.594 -15.549 1.00 0.00 H new ATOM 0 HA GLU A 60 -3.324 -6.238 -13.767 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.550 -7.083 -16.124 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.370 -5.445 -16.720 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.135 -5.287 -15.575 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.314 -6.939 -15.018 1.00 0.00 H new ATOM 905 N LEU A 61 -2.165 -4.059 -13.388 1.00 0.00 N ATOM 906 CA LEU A 61 -1.564 -2.733 -13.082 1.00 0.00 C ATOM 907 C LEU A 61 -0.078 -2.750 -13.449 1.00 0.00 C ATOM 908 O LEU A 61 0.603 -3.740 -13.272 1.00 0.00 O ATOM 909 CB LEU A 61 -1.723 -2.445 -11.588 1.00 0.00 C ATOM 910 CG LEU A 61 -3.186 -2.628 -11.190 1.00 0.00 C ATOM 911 CD1 LEU A 61 -3.387 -2.166 -9.747 1.00 0.00 C ATOM 912 CD2 LEU A 61 -4.079 -1.805 -12.119 1.00 0.00 C ATOM 0 H LEU A 61 -1.825 -4.829 -12.813 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.067 -1.957 -13.659 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.090 -3.116 -11.007 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.398 -1.429 -11.366 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.452 -3.682 -11.273 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.432 -2.297 -9.465 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.755 -2.757 -9.084 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.118 -1.113 -9.661 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.122 -1.938 -11.833 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.812 -0.751 -12.040 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.940 -2.139 -13.147 1.00 0.00 H new ATOM 924 N SER A 62 0.433 -1.663 -13.963 1.00 0.00 N ATOM 925 CA SER A 62 1.873 -1.625 -14.341 1.00 0.00 C ATOM 926 C SER A 62 2.724 -1.367 -13.089 1.00 0.00 C ATOM 927 O SER A 62 2.292 -0.703 -12.168 1.00 0.00 O ATOM 928 CB SER A 62 2.105 -0.505 -15.355 1.00 0.00 C ATOM 929 OG SER A 62 2.776 -1.033 -16.492 1.00 0.00 O ATOM 0 H SER A 62 -0.085 -0.802 -14.137 1.00 0.00 H new ATOM 0 HA SER A 62 2.158 -2.580 -14.784 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.153 -0.065 -15.652 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.698 0.291 -14.905 1.00 0.00 H new ATOM 0 HG SER A 62 2.925 -0.318 -17.145 1.00 0.00 H new ATOM 935 N PRO A 63 3.927 -1.887 -13.057 1.00 0.00 N ATOM 936 CA PRO A 63 4.850 -1.705 -11.897 1.00 0.00 C ATOM 937 C PRO A 63 5.225 -0.236 -11.676 1.00 0.00 C ATOM 938 O PRO A 63 5.652 0.152 -10.607 1.00 0.00 O ATOM 939 CB PRO A 63 6.091 -2.523 -12.269 1.00 0.00 C ATOM 940 CG PRO A 63 6.021 -2.723 -13.746 1.00 0.00 C ATOM 941 CD PRO A 63 4.542 -2.696 -14.118 1.00 0.00 C ATOM 0 HA PRO A 63 4.385 -2.028 -10.965 1.00 0.00 H new ATOM 0 HB2 PRO A 63 7.004 -1.997 -11.989 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.100 -3.479 -11.745 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.567 -1.938 -14.270 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.475 -3.672 -14.031 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.385 -2.252 -15.101 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.120 -3.700 -14.151 1.00 0.00 H new ATOM 949 N GLU A 64 5.082 0.580 -12.685 1.00 0.00 N ATOM 950 CA GLU A 64 5.443 2.019 -12.540 1.00 0.00 C ATOM 951 C GLU A 64 4.556 2.684 -11.486 1.00 0.00 C ATOM 952 O GLU A 64 4.973 3.590 -10.792 1.00 0.00 O ATOM 953 CB GLU A 64 5.254 2.727 -13.880 1.00 0.00 C ATOM 954 CG GLU A 64 6.232 2.157 -14.901 1.00 0.00 C ATOM 955 CD GLU A 64 6.091 2.914 -16.224 1.00 0.00 C ATOM 956 OE1 GLU A 64 6.914 2.696 -17.099 1.00 0.00 O ATOM 957 OE2 GLU A 64 5.163 3.697 -16.339 1.00 0.00 O ATOM 0 H GLU A 64 4.730 0.312 -13.604 1.00 0.00 H new ATOM 0 HA GLU A 64 6.484 2.093 -12.226 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.230 2.597 -14.230 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.418 3.798 -13.763 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.253 2.242 -14.529 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.036 1.096 -15.055 1.00 0.00 H new ATOM 964 N HIS A 65 3.332 2.250 -11.360 1.00 0.00 N ATOM 965 CA HIS A 65 2.425 2.868 -10.351 1.00 0.00 C ATOM 966 C HIS A 65 2.904 2.527 -8.940 1.00 0.00 C ATOM 967 O HIS A 65 2.652 3.250 -7.997 1.00 0.00 O ATOM 968 CB HIS A 65 1.003 2.339 -10.546 1.00 0.00 C ATOM 969 CG HIS A 65 0.092 2.979 -9.534 1.00 0.00 C ATOM 970 ND1 HIS A 65 -0.104 4.352 -9.477 1.00 0.00 N ATOM 971 CD2 HIS A 65 -0.678 2.448 -8.527 1.00 0.00 C ATOM 972 CE1 HIS A 65 -0.959 4.599 -8.468 1.00 0.00 C ATOM 973 NE2 HIS A 65 -1.337 3.472 -7.860 1.00 0.00 N ATOM 0 H HIS A 65 2.921 1.496 -11.911 1.00 0.00 H new ATOM 0 HA HIS A 65 2.434 3.950 -10.482 1.00 0.00 H new ATOM 0 HB2 HIS A 65 0.656 2.559 -11.556 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.987 1.255 -10.433 1.00 0.00 H new ATOM 0 HD1 HIS A 65 0.323 5.047 -10.089 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.758 1.397 -8.291 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.297 5.585 -8.185 1.00 0.00 H new ATOM 982 N PHE A 66 3.584 1.426 -8.783 1.00 0.00 N ATOM 983 CA PHE A 66 4.067 1.035 -7.428 1.00 0.00 C ATOM 984 C PHE A 66 5.525 1.464 -7.256 1.00 0.00 C ATOM 985 O PHE A 66 6.161 1.148 -6.270 1.00 0.00 O ATOM 986 CB PHE A 66 3.960 -0.483 -7.281 1.00 0.00 C ATOM 987 CG PHE A 66 2.538 -0.906 -7.551 1.00 0.00 C ATOM 988 CD1 PHE A 66 2.136 -1.196 -8.859 1.00 0.00 C ATOM 989 CD2 PHE A 66 1.622 -1.007 -6.497 1.00 0.00 C ATOM 990 CE1 PHE A 66 0.818 -1.585 -9.115 1.00 0.00 C ATOM 991 CE2 PHE A 66 0.302 -1.398 -6.753 1.00 0.00 C ATOM 992 CZ PHE A 66 -0.099 -1.687 -8.064 1.00 0.00 C ATOM 0 H PHE A 66 3.827 0.780 -9.534 1.00 0.00 H new ATOM 0 HA PHE A 66 3.459 1.524 -6.667 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.638 -0.977 -7.977 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.258 -0.786 -6.277 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.844 -1.119 -9.671 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.933 -0.784 -5.487 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.508 -1.807 -10.125 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.406 -1.477 -5.941 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.117 -1.989 -8.263 1.00 0.00 H new ATOM 1002 N ARG A 67 6.062 2.175 -8.207 1.00 0.00 N ATOM 1003 CA ARG A 67 7.481 2.616 -8.095 1.00 0.00 C ATOM 1004 C ARG A 67 7.675 3.389 -6.787 1.00 0.00 C ATOM 1005 O ARG A 67 8.668 3.227 -6.107 1.00 0.00 O ATOM 1006 CB ARG A 67 7.825 3.521 -9.285 1.00 0.00 C ATOM 1007 CG ARG A 67 9.313 3.890 -9.265 1.00 0.00 C ATOM 1008 CD ARG A 67 10.145 2.758 -9.877 1.00 0.00 C ATOM 1009 NE ARG A 67 11.587 3.130 -9.844 1.00 0.00 N ATOM 1010 CZ ARG A 67 12.497 2.245 -10.146 1.00 0.00 C ATOM 1011 NH1 ARG A 67 13.760 2.571 -10.116 1.00 0.00 N ATOM 1012 NH2 ARG A 67 12.144 1.034 -10.478 1.00 0.00 N ATOM 0 H ARG A 67 5.581 2.470 -9.057 1.00 0.00 H new ATOM 0 HA ARG A 67 8.137 1.745 -8.098 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.583 3.013 -10.218 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.219 4.426 -9.248 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.474 4.813 -9.823 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.636 4.076 -8.241 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.984 1.833 -9.323 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.829 2.574 -10.904 1.00 0.00 H new ATOM 0 HE ARG A 67 11.863 4.077 -9.585 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.036 3.518 -9.856 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.471 1.879 -10.352 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.157 0.779 -10.502 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.855 0.342 -10.714 1.00 0.00 H new ATOM 1026 N SER A 68 6.738 4.229 -6.430 1.00 0.00 N ATOM 1027 CA SER A 68 6.876 5.011 -5.166 1.00 0.00 C ATOM 1028 C SER A 68 5.615 4.847 -4.314 1.00 0.00 C ATOM 1029 O SER A 68 4.522 4.705 -4.825 1.00 0.00 O ATOM 1030 CB SER A 68 7.075 6.489 -5.502 1.00 0.00 C ATOM 1031 OG SER A 68 8.239 6.635 -6.305 1.00 0.00 O ATOM 0 H SER A 68 5.884 4.407 -6.959 1.00 0.00 H new ATOM 0 HA SER A 68 7.737 4.643 -4.608 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.203 6.874 -6.031 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.175 7.072 -4.586 1.00 0.00 H new ATOM 0 HG SER A 68 9.024 6.335 -5.801 1.00 0.00 H new ATOM 1037 N ILE A 69 5.760 4.868 -3.017 1.00 0.00 N ATOM 1038 CA ILE A 69 4.582 4.720 -2.126 1.00 0.00 C ATOM 1039 C ILE A 69 3.601 5.870 -2.367 1.00 0.00 C ATOM 1040 O ILE A 69 2.401 5.701 -2.305 1.00 0.00 O ATOM 1041 CB ILE A 69 5.054 4.752 -0.674 1.00 0.00 C ATOM 1042 CG1 ILE A 69 6.052 3.626 -0.430 1.00 0.00 C ATOM 1043 CG2 ILE A 69 3.863 4.559 0.248 1.00 0.00 C ATOM 1044 CD1 ILE A 69 6.630 3.749 0.980 1.00 0.00 C ATOM 0 H ILE A 69 6.652 4.982 -2.536 1.00 0.00 H new ATOM 0 HA ILE A 69 4.081 3.775 -2.335 1.00 0.00 H new ATOM 0 HB ILE A 69 5.529 5.713 -0.475 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.562 2.660 -0.550 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.853 3.671 -1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.198 4.582 1.285 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.141 5.359 0.082 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.393 3.598 0.039 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.343 2.943 1.152 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.135 4.709 1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.824 3.683 1.711 1.00 0.00 H new ATOM 1056 N ARG A 70 4.108 7.044 -2.629 1.00 0.00 N ATOM 1057 CA ARG A 70 3.213 8.214 -2.858 1.00 0.00 C ATOM 1058 C ARG A 70 2.307 7.958 -4.066 1.00 0.00 C ATOM 1059 O ARG A 70 1.156 8.347 -4.080 1.00 0.00 O ATOM 1060 CB ARG A 70 4.067 9.456 -3.125 1.00 0.00 C ATOM 1061 CG ARG A 70 4.902 9.781 -1.886 1.00 0.00 C ATOM 1062 CD ARG A 70 5.680 11.078 -2.120 1.00 0.00 C ATOM 1063 NE ARG A 70 6.532 10.933 -3.335 1.00 0.00 N ATOM 1064 CZ ARG A 70 7.001 11.993 -3.933 1.00 0.00 C ATOM 1065 NH1 ARG A 70 7.748 11.866 -4.996 1.00 0.00 N ATOM 1066 NH2 ARG A 70 6.722 13.181 -3.471 1.00 0.00 N ATOM 0 H ARG A 70 5.106 7.244 -2.694 1.00 0.00 H new ATOM 0 HA ARG A 70 2.594 8.368 -1.974 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.720 9.284 -3.981 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.428 10.302 -3.377 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.255 9.885 -1.015 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.592 8.964 -1.675 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.989 11.912 -2.244 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.300 11.304 -1.253 1.00 0.00 H new ATOM 0 HE ARG A 70 6.748 10.005 -3.699 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.965 10.938 -5.359 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.115 12.695 -5.464 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.137 13.281 -2.642 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.089 14.009 -3.939 1.00 0.00 H new ATOM 1080 N SER A 71 2.814 7.318 -5.083 1.00 0.00 N ATOM 1081 CA SER A 71 1.971 7.052 -6.284 1.00 0.00 C ATOM 1082 C SER A 71 0.745 6.231 -5.885 1.00 0.00 C ATOM 1083 O SER A 71 -0.362 6.505 -6.305 1.00 0.00 O ATOM 1084 CB SER A 71 2.790 6.277 -7.317 1.00 0.00 C ATOM 1085 OG SER A 71 2.057 6.195 -8.533 1.00 0.00 O ATOM 0 H SER A 71 3.771 6.969 -5.135 1.00 0.00 H new ATOM 0 HA SER A 71 1.644 8.000 -6.712 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.745 6.774 -7.488 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.013 5.277 -6.945 1.00 0.00 H new ATOM 0 HG SER A 71 1.514 5.379 -8.533 1.00 0.00 H new ATOM 1091 N ILE A 72 0.929 5.226 -5.073 1.00 0.00 N ATOM 1092 CA ILE A 72 -0.220 4.389 -4.645 1.00 0.00 C ATOM 1093 C ILE A 72 -1.206 5.241 -3.843 1.00 0.00 C ATOM 1094 O ILE A 72 -2.406 5.096 -3.961 1.00 0.00 O ATOM 1095 CB ILE A 72 0.299 3.248 -3.773 1.00 0.00 C ATOM 1096 CG1 ILE A 72 1.291 2.404 -4.576 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -0.871 2.376 -3.335 1.00 0.00 C ATOM 1098 CD1 ILE A 72 1.918 1.347 -3.666 1.00 0.00 C ATOM 0 H ILE A 72 1.832 4.950 -4.687 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.729 3.984 -5.520 1.00 0.00 H new ATOM 0 HB ILE A 72 0.798 3.657 -2.895 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.782 1.924 -5.412 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.067 3.041 -4.999 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.504 1.560 -2.712 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.579 2.977 -2.765 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.368 1.966 -4.214 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.624 0.746 -4.239 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.441 1.838 -2.845 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.136 0.703 -3.264 1.00 0.00 H new ATOM 1110 N ASP A 73 -0.707 6.124 -3.023 1.00 0.00 N ATOM 1111 CA ASP A 73 -1.611 6.981 -2.209 1.00 0.00 C ATOM 1112 C ASP A 73 -2.557 7.754 -3.128 1.00 0.00 C ATOM 1113 O ASP A 73 -3.717 7.945 -2.820 1.00 0.00 O ATOM 1114 CB ASP A 73 -0.776 7.970 -1.392 1.00 0.00 C ATOM 1115 CG ASP A 73 -1.681 8.713 -0.408 1.00 0.00 C ATOM 1116 OD1 ASP A 73 -2.105 9.809 -0.735 1.00 0.00 O ATOM 1117 OD2 ASP A 73 -1.934 8.173 0.656 1.00 0.00 O ATOM 0 H ASP A 73 0.290 6.289 -2.882 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.195 6.352 -1.537 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.008 7.440 -0.852 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.282 8.680 -2.055 1.00 0.00 H new ATOM 1122 N ALA A 74 -2.075 8.208 -4.253 1.00 0.00 N ATOM 1123 CA ALA A 74 -2.956 8.973 -5.179 1.00 0.00 C ATOM 1124 C ALA A 74 -4.072 8.066 -5.696 1.00 0.00 C ATOM 1125 O ALA A 74 -5.223 8.450 -5.746 1.00 0.00 O ATOM 1126 CB ALA A 74 -2.131 9.491 -6.358 1.00 0.00 C ATOM 0 H ALA A 74 -1.113 8.083 -4.569 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.395 9.815 -4.645 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.776 10.051 -7.035 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.339 10.143 -5.989 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.689 8.649 -6.891 1.00 0.00 H new ATOM 1132 N PHE A 75 -3.746 6.864 -6.080 1.00 0.00 N ATOM 1133 CA PHE A 75 -4.798 5.939 -6.588 1.00 0.00 C ATOM 1134 C PHE A 75 -5.797 5.641 -5.471 1.00 0.00 C ATOM 1135 O PHE A 75 -6.995 5.660 -5.672 1.00 0.00 O ATOM 1136 CB PHE A 75 -4.157 4.634 -7.055 1.00 0.00 C ATOM 1137 CG PHE A 75 -5.214 3.739 -7.654 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -5.591 3.900 -8.993 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -5.817 2.747 -6.872 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -6.572 3.070 -9.549 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -6.798 1.917 -7.427 1.00 0.00 C ATOM 1142 CZ PHE A 75 -7.175 2.078 -8.766 1.00 0.00 C ATOM 0 H PHE A 75 -2.800 6.482 -6.065 1.00 0.00 H new ATOM 0 HA PHE A 75 -5.314 6.408 -7.426 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.381 4.841 -7.792 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.674 4.133 -6.216 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.125 4.665 -9.597 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.525 2.622 -5.840 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.864 3.195 -10.581 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.264 1.153 -6.823 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.931 1.437 -9.195 1.00 0.00 H new ATOM 1152 N VAL A 76 -5.311 5.359 -4.294 1.00 0.00 N ATOM 1153 CA VAL A 76 -6.222 5.053 -3.163 1.00 0.00 C ATOM 1154 C VAL A 76 -7.068 6.283 -2.821 1.00 0.00 C ATOM 1155 O VAL A 76 -8.256 6.183 -2.593 1.00 0.00 O ATOM 1156 CB VAL A 76 -5.386 4.651 -1.950 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -6.287 4.550 -0.725 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -4.728 3.295 -2.212 1.00 0.00 C ATOM 0 H VAL A 76 -4.317 5.328 -4.069 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.888 4.237 -3.443 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.615 5.401 -1.774 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.692 4.263 0.142 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.757 5.515 -0.539 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.057 3.799 -0.901 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.131 3.007 -1.347 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.499 2.544 -2.387 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.085 3.366 -3.089 1.00 0.00 H new ATOM 1168 N VAL A 77 -6.469 7.443 -2.779 1.00 0.00 N ATOM 1169 CA VAL A 77 -7.242 8.669 -2.447 1.00 0.00 C ATOM 1170 C VAL A 77 -8.307 8.917 -3.518 1.00 0.00 C ATOM 1171 O VAL A 77 -9.431 9.271 -3.221 1.00 0.00 O ATOM 1172 CB VAL A 77 -6.287 9.860 -2.393 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -7.096 11.151 -2.341 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -5.412 9.760 -1.142 1.00 0.00 C ATOM 0 H VAL A 77 -5.476 7.592 -2.961 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.731 8.542 -1.481 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.653 9.858 -3.280 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.418 12.004 -2.302 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.721 11.225 -3.231 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.728 11.149 -1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.731 10.611 -1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.045 9.763 -0.254 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.836 8.835 -1.174 1.00 0.00 H new ATOM 1184 N GLY A 78 -7.957 8.745 -4.761 1.00 0.00 N ATOM 1185 CA GLY A 78 -8.937 8.980 -5.858 1.00 0.00 C ATOM 1186 C GLY A 78 -10.144 8.047 -5.708 1.00 0.00 C ATOM 1187 O GLY A 78 -11.243 8.379 -6.102 1.00 0.00 O ATOM 0 H GLY A 78 -7.030 8.450 -5.067 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.268 10.018 -5.842 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.459 8.813 -6.823 1.00 0.00 H new ATOM 1191 N ALA A 79 -9.950 6.878 -5.159 1.00 0.00 N ATOM 1192 CA ALA A 79 -11.095 5.933 -5.013 1.00 0.00 C ATOM 1193 C ALA A 79 -11.653 5.987 -3.590 1.00 0.00 C ATOM 1194 O ALA A 79 -12.847 6.080 -3.387 1.00 0.00 O ATOM 1195 CB ALA A 79 -10.619 4.511 -5.318 1.00 0.00 C ATOM 0 H ALA A 79 -9.055 6.538 -4.807 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.882 6.220 -5.711 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.453 3.818 -5.212 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.237 4.466 -6.338 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.827 4.235 -4.621 1.00 0.00 H new ATOM 1201 N THR A 80 -10.804 5.923 -2.605 1.00 0.00 N ATOM 1202 CA THR A 80 -11.297 5.964 -1.199 1.00 0.00 C ATOM 1203 C THR A 80 -10.352 6.806 -0.340 1.00 0.00 C ATOM 1204 O THR A 80 -9.180 6.937 -0.630 1.00 0.00 O ATOM 1205 CB THR A 80 -11.367 4.537 -0.647 1.00 0.00 C ATOM 1206 OG1 THR A 80 -12.049 4.546 0.600 1.00 0.00 O ATOM 1207 CG2 THR A 80 -9.952 3.985 -0.460 1.00 0.00 C ATOM 0 H THR A 80 -9.793 5.844 -2.710 1.00 0.00 H new ATOM 0 HA THR A 80 -12.290 6.413 -1.176 1.00 0.00 H new ATOM 0 HB THR A 80 -11.906 3.902 -1.350 1.00 0.00 H new ATOM 0 HG1 THR A 80 -11.817 3.739 1.105 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.006 2.970 -0.067 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.435 3.975 -1.420 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.405 4.616 0.240 1.00 0.00 H new ATOM 1215 N THR A 81 -10.856 7.379 0.718 1.00 0.00 N ATOM 1216 CA THR A 81 -9.993 8.212 1.597 1.00 0.00 C ATOM 1217 C THR A 81 -10.359 7.956 3.067 1.00 0.00 C ATOM 1218 O THR A 81 -11.223 8.611 3.616 1.00 0.00 O ATOM 1219 CB THR A 81 -10.215 9.688 1.258 1.00 0.00 C ATOM 1220 OG1 THR A 81 -9.335 10.489 2.035 1.00 0.00 O ATOM 1221 CG2 THR A 81 -11.663 10.073 1.564 1.00 0.00 C ATOM 0 H THR A 81 -11.830 7.305 1.011 1.00 0.00 H new ATOM 0 HA THR A 81 -8.946 7.954 1.440 1.00 0.00 H new ATOM 0 HB THR A 81 -10.015 9.851 0.199 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.430 10.115 1.995 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.819 11.124 1.322 1.00 0.00 H new ATOM 0 HG22 THR A 81 -12.337 9.459 0.966 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.867 9.910 2.622 1.00 0.00 H new