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 3 HIS : no HD1:sc= -1 X(o=-1.1,f=-1.5) USER MOD Set 1.2: A 81 THR OG1 : rot 150:sc= -0.104 USER MOD Single : A 1 MET CE :methyl 167:sc= -0.519 (180deg=-1.11) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.205 (180deg=-0.348) USER MOD Single : A 2 GLN : amide:sc= -4.3! C(o=-4.3!,f=-7.1!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.161 X(o=-0.16,f=0) USER MOD Single : A 33 ASN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -152:sc= -0.972 (180deg=-2.28!) USER MOD Single : A 62 SER OG : rot 180:sc= -0.16 USER MOD Single : A 65 HIS : no HE2:sc= -1.8 K(o=-1.8,f=-3!) USER MOD Single : A 68 SER OG : rot -55:sc= 1.18 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -28:sc= 0.615 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.152 14.125 0.200 1.00 0.00 N ATOM 2 CA MET A 1 -0.537 13.234 1.224 1.00 0.00 C ATOM 3 C MET A 1 -1.319 13.350 2.533 1.00 0.00 C ATOM 4 O MET A 1 -0.750 13.472 3.600 1.00 0.00 O ATOM 5 CB MET A 1 0.915 13.651 1.458 1.00 0.00 C ATOM 6 CG MET A 1 1.714 13.447 0.170 1.00 0.00 C ATOM 7 SD MET A 1 3.472 13.740 0.493 1.00 0.00 S ATOM 8 CE MET A 1 3.790 12.233 1.447 1.00 0.00 C ATOM 0 H1 MET A 1 -0.746 13.913 -0.734 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.180 13.967 0.174 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.960 15.118 0.444 1.00 0.00 H new ATOM 0 HA MET A 1 -0.565 12.202 0.873 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.960 14.696 1.766 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.349 13.062 2.266 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.567 12.434 -0.205 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.357 14.128 -0.603 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.865 12.091 1.555 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.335 12.324 2.433 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.361 11.376 0.927 1.00 0.00 H new ATOM 20 N GLN A 2 -2.621 13.316 2.459 1.00 0.00 N ATOM 21 CA GLN A 2 -3.441 13.427 3.698 1.00 0.00 C ATOM 22 C GLN A 2 -3.094 12.278 4.648 1.00 0.00 C ATOM 23 O GLN A 2 -3.055 12.444 5.851 1.00 0.00 O ATOM 24 CB GLN A 2 -4.925 13.353 3.334 1.00 0.00 C ATOM 25 CG GLN A 2 -5.292 14.539 2.441 1.00 0.00 C ATOM 26 CD GLN A 2 -6.774 14.459 2.069 1.00 0.00 C ATOM 27 OE1 GLN A 2 -7.408 13.442 2.266 1.00 0.00 O ATOM 28 NE2 GLN A 2 -7.358 15.498 1.536 1.00 0.00 N ATOM 0 H GLN A 2 -3.152 13.216 1.594 1.00 0.00 H new ATOM 0 HA GLN A 2 -3.231 14.378 4.187 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -5.137 12.417 2.818 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -5.533 13.364 4.239 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -5.086 15.475 2.960 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -4.679 14.532 1.540 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -6.826 16.353 1.370 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -8.346 15.455 1.285 1.00 0.00 H new ATOM 37 N HIS A 3 -2.844 11.112 4.117 1.00 0.00 N ATOM 38 CA HIS A 3 -2.502 9.952 4.989 1.00 0.00 C ATOM 39 C HIS A 3 -1.467 9.072 4.287 1.00 0.00 C ATOM 40 O HIS A 3 -1.476 7.864 4.413 1.00 0.00 O ATOM 41 CB HIS A 3 -3.765 9.136 5.267 1.00 0.00 C ATOM 42 CG HIS A 3 -4.818 10.030 5.862 1.00 0.00 C ATOM 43 ND1 HIS A 3 -4.700 10.562 7.139 1.00 0.00 N ATOM 44 CD2 HIS A 3 -6.013 10.495 5.371 1.00 0.00 C ATOM 45 CE1 HIS A 3 -5.796 11.308 7.370 1.00 0.00 C ATOM 46 NE2 HIS A 3 -6.624 11.299 6.325 1.00 0.00 N ATOM 0 H HIS A 3 -2.862 10.912 3.117 1.00 0.00 H new ATOM 0 HA HIS A 3 -2.089 10.314 5.931 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.132 8.688 4.344 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -3.539 8.317 5.950 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -6.416 10.270 4.394 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -5.982 11.847 8.287 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -7.519 11.782 6.243 1.00 0.00 H new ATOM 55 N ALA A 4 -0.576 9.668 3.544 1.00 0.00 N ATOM 56 CA ALA A 4 0.457 8.868 2.829 1.00 0.00 C ATOM 57 C ALA A 4 1.286 8.075 3.841 1.00 0.00 C ATOM 58 O ALA A 4 1.753 6.989 3.560 1.00 0.00 O ATOM 59 CB ALA A 4 1.377 9.807 2.045 1.00 0.00 C ATOM 0 H ALA A 4 -0.519 10.676 3.401 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.033 8.178 2.142 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.133 9.222 1.522 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.789 10.371 1.321 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.865 10.497 2.733 1.00 0.00 H new ATOM 65 N SER A 5 1.483 8.611 5.015 1.00 0.00 N ATOM 66 CA SER A 5 2.291 7.886 6.035 1.00 0.00 C ATOM 67 C SER A 5 1.662 6.522 6.327 1.00 0.00 C ATOM 68 O SER A 5 2.352 5.542 6.524 1.00 0.00 O ATOM 69 CB SER A 5 2.345 8.709 7.322 1.00 0.00 C ATOM 70 OG SER A 5 2.838 10.009 7.029 1.00 0.00 O ATOM 0 H SER A 5 1.120 9.517 5.311 1.00 0.00 H new ATOM 0 HA SER A 5 3.301 7.739 5.652 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.352 8.776 7.766 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.989 8.220 8.053 1.00 0.00 H new ATOM 0 HG SER A 5 2.872 10.539 7.852 1.00 0.00 H new ATOM 76 N VAL A 6 0.360 6.444 6.349 1.00 0.00 N ATOM 77 CA VAL A 6 -0.296 5.134 6.622 1.00 0.00 C ATOM 78 C VAL A 6 0.046 4.160 5.499 1.00 0.00 C ATOM 79 O VAL A 6 0.311 3.000 5.729 1.00 0.00 O ATOM 80 CB VAL A 6 -1.811 5.313 6.689 1.00 0.00 C ATOM 81 CG1 VAL A 6 -2.489 3.940 6.717 1.00 0.00 C ATOM 82 CG2 VAL A 6 -2.176 6.086 7.959 1.00 0.00 C ATOM 0 H VAL A 6 -0.275 7.226 6.191 1.00 0.00 H new ATOM 0 HA VAL A 6 0.061 4.744 7.575 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.150 5.867 5.814 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.570 4.069 6.765 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.229 3.387 5.814 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.151 3.385 7.592 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.257 6.215 8.008 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.836 5.531 8.833 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.695 7.064 7.941 1.00 0.00 H new ATOM 92 N ILE A 7 0.043 4.628 4.284 1.00 0.00 N ATOM 93 CA ILE A 7 0.368 3.735 3.141 1.00 0.00 C ATOM 94 C ILE A 7 1.780 3.179 3.321 1.00 0.00 C ATOM 95 O ILE A 7 2.010 1.991 3.204 1.00 0.00 O ATOM 96 CB ILE A 7 0.283 4.534 1.843 1.00 0.00 C ATOM 97 CG1 ILE A 7 -1.129 5.105 1.708 1.00 0.00 C ATOM 98 CG2 ILE A 7 0.581 3.617 0.654 1.00 0.00 C ATOM 99 CD1 ILE A 7 -1.200 6.014 0.483 1.00 0.00 C ATOM 0 H ILE A 7 -0.171 5.593 4.033 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.340 2.907 3.101 1.00 0.00 H new ATOM 0 HB ILE A 7 1.012 5.345 1.859 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.852 4.295 1.614 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.393 5.666 2.605 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.520 4.190 -0.271 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.583 3.201 0.758 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.147 2.807 0.628 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.207 6.420 0.389 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.488 6.832 0.595 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.955 5.440 -0.411 1.00 0.00 H new ATOM 111 N ALA A 8 2.727 4.025 3.623 1.00 0.00 N ATOM 112 CA ALA A 8 4.118 3.536 3.829 1.00 0.00 C ATOM 113 C ALA A 8 4.121 2.598 5.031 1.00 0.00 C ATOM 114 O ALA A 8 4.720 1.542 5.016 1.00 0.00 O ATOM 115 CB ALA A 8 5.043 4.723 4.103 1.00 0.00 C ATOM 0 H ALA A 8 2.597 5.030 3.736 1.00 0.00 H new ATOM 0 HA ALA A 8 4.469 3.012 2.940 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.061 4.364 4.254 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.021 5.405 3.253 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.707 5.247 4.998 1.00 0.00 H new ATOM 121 N GLN A 9 3.432 2.975 6.067 1.00 0.00 N ATOM 122 CA GLN A 9 3.360 2.112 7.272 1.00 0.00 C ATOM 123 C GLN A 9 2.619 0.824 6.913 1.00 0.00 C ATOM 124 O GLN A 9 2.942 -0.246 7.384 1.00 0.00 O ATOM 125 CB GLN A 9 2.594 2.851 8.371 1.00 0.00 C ATOM 126 CG GLN A 9 2.551 1.997 9.638 1.00 0.00 C ATOM 127 CD GLN A 9 1.108 1.891 10.128 1.00 0.00 C ATOM 128 OE1 GLN A 9 0.806 2.243 11.252 1.00 0.00 O ATOM 129 NE2 GLN A 9 0.195 1.417 9.324 1.00 0.00 N ATOM 0 H GLN A 9 2.912 3.850 6.131 1.00 0.00 H new ATOM 0 HA GLN A 9 4.364 1.874 7.624 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.074 3.806 8.582 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.581 3.071 8.035 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.952 1.004 9.435 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.178 2.441 10.411 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.449 1.122 8.381 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -0.772 1.342 9.639 1.00 0.00 H new ATOM 138 N PHE A 10 1.617 0.930 6.089 1.00 0.00 N ATOM 139 CA PHE A 10 0.825 -0.269 5.699 1.00 0.00 C ATOM 140 C PHE A 10 1.731 -1.288 5.005 1.00 0.00 C ATOM 141 O PHE A 10 1.787 -2.440 5.378 1.00 0.00 O ATOM 142 CB PHE A 10 -0.275 0.180 4.733 1.00 0.00 C ATOM 143 CG PHE A 10 -1.307 -0.906 4.559 1.00 0.00 C ATOM 144 CD1 PHE A 10 -2.454 -0.907 5.360 1.00 0.00 C ATOM 145 CD2 PHE A 10 -1.127 -1.899 3.589 1.00 0.00 C ATOM 146 CE1 PHE A 10 -3.424 -1.900 5.191 1.00 0.00 C ATOM 147 CE2 PHE A 10 -2.097 -2.895 3.423 1.00 0.00 C ATOM 148 CZ PHE A 10 -3.247 -2.894 4.224 1.00 0.00 C ATOM 0 H PHE A 10 1.309 1.805 5.664 1.00 0.00 H new ATOM 0 HA PHE A 10 0.389 -0.734 6.583 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.752 1.084 5.112 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.163 0.431 3.767 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.590 -0.141 6.109 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.242 -1.897 2.970 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.310 -1.899 5.808 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.959 -3.664 2.678 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.996 -3.661 4.094 1.00 0.00 H new ATOM 158 N VAL A 11 2.443 -0.872 3.999 1.00 0.00 N ATOM 159 CA VAL A 11 3.347 -1.820 3.285 1.00 0.00 C ATOM 160 C VAL A 11 4.575 -2.123 4.152 1.00 0.00 C ATOM 161 O VAL A 11 5.029 -3.248 4.235 1.00 0.00 O ATOM 162 CB VAL A 11 3.787 -1.206 1.952 1.00 0.00 C ATOM 163 CG1 VAL A 11 4.894 -0.181 2.192 1.00 0.00 C ATOM 164 CG2 VAL A 11 4.313 -2.309 1.033 1.00 0.00 C ATOM 0 H VAL A 11 2.440 0.082 3.638 1.00 0.00 H new ATOM 0 HA VAL A 11 2.812 -2.750 3.092 1.00 0.00 H new ATOM 0 HB VAL A 11 2.933 -0.713 1.487 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.202 0.251 1.240 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.524 0.608 2.846 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.747 -0.670 2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.626 -1.873 0.084 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.163 -2.801 1.505 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.525 -3.040 0.854 1.00 0.00 H new ATOM 174 N VAL A 12 5.123 -1.121 4.784 1.00 0.00 N ATOM 175 CA VAL A 12 6.334 -1.327 5.635 1.00 0.00 C ATOM 176 C VAL A 12 6.012 -2.224 6.838 1.00 0.00 C ATOM 177 O VAL A 12 6.837 -2.996 7.280 1.00 0.00 O ATOM 178 CB VAL A 12 6.840 0.029 6.133 1.00 0.00 C ATOM 179 CG1 VAL A 12 8.067 -0.176 7.022 1.00 0.00 C ATOM 180 CG2 VAL A 12 7.223 0.905 4.939 1.00 0.00 C ATOM 0 H VAL A 12 4.782 -0.160 4.748 1.00 0.00 H new ATOM 0 HA VAL A 12 7.101 -1.816 5.035 1.00 0.00 H new ATOM 0 HB VAL A 12 6.051 0.517 6.706 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.426 0.791 7.376 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.798 -0.798 7.876 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.853 -0.667 6.449 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.583 1.870 5.296 1.00 0.00 H new ATOM 0 HG22 VAL A 12 8.009 0.414 4.365 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.350 1.056 4.304 1.00 0.00 H new ATOM 190 N GLU A 13 4.834 -2.111 7.388 1.00 0.00 N ATOM 191 CA GLU A 13 4.486 -2.939 8.585 1.00 0.00 C ATOM 192 C GLU A 13 4.671 -4.424 8.276 1.00 0.00 C ATOM 193 O GLU A 13 5.082 -5.194 9.120 1.00 0.00 O ATOM 194 CB GLU A 13 3.036 -2.682 8.991 1.00 0.00 C ATOM 195 CG GLU A 13 2.711 -3.464 10.264 1.00 0.00 C ATOM 196 CD GLU A 13 1.235 -3.278 10.616 1.00 0.00 C ATOM 197 OE1 GLU A 13 0.815 -3.818 11.626 1.00 0.00 O ATOM 198 OE2 GLU A 13 0.550 -2.597 9.871 1.00 0.00 O ATOM 0 H GLU A 13 4.097 -1.484 7.064 1.00 0.00 H new ATOM 0 HA GLU A 13 5.149 -2.660 9.404 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.878 -1.616 9.157 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.364 -2.982 8.187 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.930 -4.522 10.119 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.338 -3.118 11.086 1.00 0.00 H new ATOM 205 N GLU A 14 4.373 -4.837 7.080 1.00 0.00 N ATOM 206 CA GLU A 14 4.536 -6.276 6.736 1.00 0.00 C ATOM 207 C GLU A 14 6.021 -6.655 6.769 1.00 0.00 C ATOM 208 O GLU A 14 6.374 -7.774 7.083 1.00 0.00 O ATOM 209 CB GLU A 14 3.966 -6.535 5.340 1.00 0.00 C ATOM 210 CG GLU A 14 2.444 -6.384 5.363 1.00 0.00 C ATOM 211 CD GLU A 14 1.832 -7.439 6.287 1.00 0.00 C ATOM 212 OE1 GLU A 14 0.688 -7.265 6.675 1.00 0.00 O ATOM 213 OE2 GLU A 14 2.518 -8.400 6.592 1.00 0.00 O ATOM 0 H GLU A 14 4.025 -4.244 6.327 1.00 0.00 H new ATOM 0 HA GLU A 14 3.999 -6.883 7.464 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.399 -5.835 4.625 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.236 -7.537 5.008 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.174 -5.386 5.707 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.043 -6.494 4.355 1.00 0.00 H new ATOM 220 N PHE A 15 6.894 -5.736 6.448 1.00 0.00 N ATOM 221 CA PHE A 15 8.354 -6.056 6.464 1.00 0.00 C ATOM 222 C PHE A 15 9.128 -4.926 7.149 1.00 0.00 C ATOM 223 O PHE A 15 10.164 -4.504 6.677 1.00 0.00 O ATOM 224 CB PHE A 15 8.866 -6.205 5.029 1.00 0.00 C ATOM 225 CG PHE A 15 7.730 -6.615 4.126 1.00 0.00 C ATOM 226 CD1 PHE A 15 7.460 -7.971 3.909 1.00 0.00 C ATOM 227 CD2 PHE A 15 6.949 -5.636 3.503 1.00 0.00 C ATOM 228 CE1 PHE A 15 6.406 -8.349 3.069 1.00 0.00 C ATOM 229 CE2 PHE A 15 5.895 -6.012 2.664 1.00 0.00 C ATOM 230 CZ PHE A 15 5.623 -7.368 2.447 1.00 0.00 C ATOM 0 H PHE A 15 6.661 -4.781 6.176 1.00 0.00 H new ATOM 0 HA PHE A 15 8.503 -6.988 7.010 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.295 -5.264 4.686 1.00 0.00 H new ATOM 0 HB3 PHE A 15 9.661 -6.950 4.991 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.065 -8.726 4.390 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.160 -4.590 3.670 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.197 -9.395 2.901 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.291 -5.256 2.184 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.809 -7.658 1.799 1.00 0.00 H new ATOM 240 N LEU A 16 8.641 -4.426 8.253 1.00 0.00 N ATOM 241 CA LEU A 16 9.366 -3.322 8.941 1.00 0.00 C ATOM 242 C LEU A 16 10.525 -3.889 9.772 1.00 0.00 C ATOM 243 O LEU A 16 10.364 -4.862 10.480 1.00 0.00 O ATOM 244 CB LEU A 16 8.393 -2.540 9.847 1.00 0.00 C ATOM 245 CG LEU A 16 8.435 -3.027 11.308 1.00 0.00 C ATOM 246 CD1 LEU A 16 7.451 -2.198 12.134 1.00 0.00 C ATOM 247 CD2 LEU A 16 8.027 -4.502 11.393 1.00 0.00 C ATOM 0 H LEU A 16 7.779 -4.732 8.704 1.00 0.00 H new ATOM 0 HA LEU A 16 9.773 -2.643 8.192 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.641 -1.479 9.813 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.379 -2.643 9.461 1.00 0.00 H new ATOM 0 HG LEU A 16 9.450 -2.914 11.690 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.472 -2.534 13.171 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.733 -1.146 12.088 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.445 -2.322 11.733 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.062 -4.830 12.432 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.014 -4.622 11.009 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.714 -5.104 10.799 1.00 0.00 H new ATOM 259 N PRO A 17 11.683 -3.273 9.714 1.00 0.00 N ATOM 260 CA PRO A 17 12.857 -3.720 10.508 1.00 0.00 C ATOM 261 C PRO A 17 12.710 -3.273 11.967 1.00 0.00 C ATOM 262 O PRO A 17 11.611 -3.138 12.467 1.00 0.00 O ATOM 263 CB PRO A 17 14.031 -3.012 9.828 1.00 0.00 C ATOM 264 CG PRO A 17 13.447 -1.758 9.274 1.00 0.00 C ATOM 265 CD PRO A 17 12.008 -2.090 8.891 1.00 0.00 C ATOM 0 HA PRO A 17 12.979 -4.803 10.536 1.00 0.00 H new ATOM 0 HB2 PRO A 17 14.829 -2.797 10.539 1.00 0.00 H new ATOM 0 HB3 PRO A 17 14.463 -3.629 9.040 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.478 -0.956 10.011 1.00 0.00 H new ATOM 0 HG3 PRO A 17 14.011 -1.416 8.407 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.336 -1.259 9.104 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.918 -2.307 7.827 1.00 0.00 H new ATOM 273 N ASP A 18 13.787 -3.026 12.651 1.00 0.00 N ATOM 274 CA ASP A 18 13.674 -2.572 14.059 1.00 0.00 C ATOM 275 C ASP A 18 13.342 -1.078 14.066 1.00 0.00 C ATOM 276 O ASP A 18 13.401 -0.419 15.086 1.00 0.00 O ATOM 277 CB ASP A 18 15.004 -2.814 14.775 1.00 0.00 C ATOM 278 CG ASP A 18 16.105 -1.971 14.126 1.00 0.00 C ATOM 279 OD1 ASP A 18 15.775 -1.102 13.336 1.00 0.00 O ATOM 280 OD2 ASP A 18 17.262 -2.209 14.433 1.00 0.00 O ATOM 0 H ASP A 18 14.739 -3.119 12.297 1.00 0.00 H new ATOM 0 HA ASP A 18 12.888 -3.125 14.573 1.00 0.00 H new ATOM 0 HB2 ASP A 18 14.911 -2.557 15.830 1.00 0.00 H new ATOM 0 HB3 ASP A 18 15.266 -3.871 14.726 1.00 0.00 H new ATOM 285 N VAL A 19 12.999 -0.540 12.922 1.00 0.00 N ATOM 286 CA VAL A 19 12.668 0.912 12.838 1.00 0.00 C ATOM 287 C VAL A 19 11.189 1.088 12.491 1.00 0.00 C ATOM 288 O VAL A 19 10.662 0.421 11.624 1.00 0.00 O ATOM 289 CB VAL A 19 13.513 1.555 11.737 1.00 0.00 C ATOM 290 CG1 VAL A 19 13.303 3.069 11.747 1.00 0.00 C ATOM 291 CG2 VAL A 19 14.991 1.241 11.980 1.00 0.00 C ATOM 0 H VAL A 19 12.934 -1.048 12.040 1.00 0.00 H new ATOM 0 HA VAL A 19 12.876 1.384 13.798 1.00 0.00 H new ATOM 0 HB VAL A 19 13.211 1.156 10.769 1.00 0.00 H new ATOM 0 HG11 VAL A 19 13.906 3.525 10.962 1.00 0.00 H new ATOM 0 HG12 VAL A 19 12.250 3.291 11.572 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.603 3.472 12.715 1.00 0.00 H new ATOM 0 HG21 VAL A 19 15.594 1.699 11.196 1.00 0.00 H new ATOM 0 HG22 VAL A 19 15.293 1.639 12.949 1.00 0.00 H new ATOM 0 HG23 VAL A 19 15.140 0.161 11.969 1.00 0.00 H new ATOM 301 N ALA A 20 10.515 1.990 13.152 1.00 0.00 N ATOM 302 CA ALA A 20 9.075 2.213 12.843 1.00 0.00 C ATOM 303 C ALA A 20 8.963 2.977 11.513 1.00 0.00 C ATOM 304 O ALA A 20 9.746 3.870 11.253 1.00 0.00 O ATOM 305 CB ALA A 20 8.439 3.043 13.960 1.00 0.00 C ATOM 0 H ALA A 20 10.899 2.580 13.890 1.00 0.00 H new ATOM 0 HA ALA A 20 8.560 1.255 12.765 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.385 3.208 13.736 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.530 2.510 14.906 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.948 4.004 14.034 1.00 0.00 H new ATOM 311 N PRO A 21 8.004 2.651 10.672 1.00 0.00 N ATOM 312 CA PRO A 21 7.828 3.353 9.367 1.00 0.00 C ATOM 313 C PRO A 21 7.853 4.877 9.527 1.00 0.00 C ATOM 314 O PRO A 21 8.253 5.599 8.635 1.00 0.00 O ATOM 315 CB PRO A 21 6.449 2.903 8.887 1.00 0.00 C ATOM 316 CG PRO A 21 6.190 1.597 9.561 1.00 0.00 C ATOM 317 CD PRO A 21 6.999 1.588 10.859 1.00 0.00 C ATOM 0 HA PRO A 21 8.632 3.113 8.671 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.686 3.636 9.148 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.429 2.794 7.803 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.127 1.476 9.770 1.00 0.00 H new ATOM 0 HG3 PRO A 21 6.485 0.767 8.918 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.366 1.788 11.723 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.471 0.620 11.026 1.00 0.00 H new ATOM 325 N ALA A 22 7.436 5.366 10.660 1.00 0.00 N ATOM 326 CA ALA A 22 7.441 6.838 10.887 1.00 0.00 C ATOM 327 C ALA A 22 8.886 7.340 10.915 1.00 0.00 C ATOM 328 O ALA A 22 9.157 8.506 10.706 1.00 0.00 O ATOM 329 CB ALA A 22 6.767 7.149 12.225 1.00 0.00 C ATOM 0 H ALA A 22 7.091 4.809 11.441 1.00 0.00 H new ATOM 0 HA ALA A 22 6.897 7.334 10.083 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.770 8.226 12.392 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.739 6.787 12.207 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.311 6.655 13.030 1.00 0.00 H new ATOM 335 N ASP A 23 9.815 6.461 11.172 1.00 0.00 N ATOM 336 CA ASP A 23 11.247 6.871 11.215 1.00 0.00 C ATOM 337 C ASP A 23 11.929 6.420 9.926 1.00 0.00 C ATOM 338 O ASP A 23 13.119 6.592 9.744 1.00 0.00 O ATOM 339 CB ASP A 23 11.931 6.216 12.416 1.00 0.00 C ATOM 340 CG ASP A 23 11.352 6.790 13.710 1.00 0.00 C ATOM 341 OD1 ASP A 23 11.611 6.219 14.756 1.00 0.00 O ATOM 342 OD2 ASP A 23 10.658 7.791 13.633 1.00 0.00 O ATOM 0 H ASP A 23 9.643 5.472 11.355 1.00 0.00 H new ATOM 0 HA ASP A 23 11.320 7.954 11.311 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.784 5.136 12.387 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.006 6.393 12.377 1.00 0.00 H new ATOM 347 N VAL A 24 11.178 5.849 9.029 1.00 0.00 N ATOM 348 CA VAL A 24 11.764 5.389 7.743 1.00 0.00 C ATOM 349 C VAL A 24 11.350 6.366 6.647 1.00 0.00 C ATOM 350 O VAL A 24 10.228 6.829 6.611 1.00 0.00 O ATOM 351 CB VAL A 24 11.241 3.991 7.408 1.00 0.00 C ATOM 352 CG1 VAL A 24 11.895 3.496 6.116 1.00 0.00 C ATOM 353 CG2 VAL A 24 11.583 3.032 8.550 1.00 0.00 C ATOM 0 H VAL A 24 10.177 5.680 9.133 1.00 0.00 H new ATOM 0 HA VAL A 24 12.851 5.350 7.821 1.00 0.00 H new ATOM 0 HB VAL A 24 10.160 4.031 7.276 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.522 2.500 5.878 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.653 4.178 5.301 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.976 3.457 6.247 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.211 2.036 8.312 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.664 2.994 8.681 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.118 3.383 9.471 1.00 0.00 H new ATOM 363 N ASP A 25 12.243 6.699 5.762 1.00 0.00 N ATOM 364 CA ASP A 25 11.882 7.661 4.689 1.00 0.00 C ATOM 365 C ASP A 25 10.882 7.006 3.737 1.00 0.00 C ATOM 366 O ASP A 25 11.238 6.199 2.901 1.00 0.00 O ATOM 367 CB ASP A 25 13.141 8.057 3.916 1.00 0.00 C ATOM 368 CG ASP A 25 12.800 9.170 2.923 1.00 0.00 C ATOM 369 OD1 ASP A 25 11.675 9.641 2.955 1.00 0.00 O ATOM 370 OD2 ASP A 25 13.669 9.531 2.148 1.00 0.00 O ATOM 0 H ASP A 25 13.201 6.350 5.735 1.00 0.00 H new ATOM 0 HA ASP A 25 11.434 8.551 5.131 1.00 0.00 H new ATOM 0 HB2 ASP A 25 13.914 8.395 4.607 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.543 7.193 3.387 1.00 0.00 H new ATOM 375 N VAL A 26 9.628 7.349 3.862 1.00 0.00 N ATOM 376 CA VAL A 26 8.594 6.749 2.967 1.00 0.00 C ATOM 377 C VAL A 26 8.919 7.070 1.505 1.00 0.00 C ATOM 378 O VAL A 26 8.156 6.765 0.611 1.00 0.00 O ATOM 379 CB VAL A 26 7.223 7.329 3.318 1.00 0.00 C ATOM 380 CG1 VAL A 26 6.910 7.046 4.788 1.00 0.00 C ATOM 381 CG2 VAL A 26 7.235 8.840 3.082 1.00 0.00 C ATOM 0 H VAL A 26 9.274 8.019 4.545 1.00 0.00 H new ATOM 0 HA VAL A 26 8.585 5.668 3.104 1.00 0.00 H new ATOM 0 HB VAL A 26 6.461 6.868 2.689 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.933 7.459 5.038 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.903 5.969 4.958 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.671 7.507 5.417 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.259 9.255 3.332 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.997 9.300 3.711 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.458 9.043 2.035 1.00 0.00 H new ATOM 391 N ASP A 27 10.051 7.667 1.249 1.00 0.00 N ATOM 392 CA ASP A 27 10.424 7.987 -0.156 1.00 0.00 C ATOM 393 C ASP A 27 11.197 6.803 -0.738 1.00 0.00 C ATOM 394 O ASP A 27 11.774 6.883 -1.805 1.00 0.00 O ATOM 395 CB ASP A 27 11.301 9.240 -0.188 1.00 0.00 C ATOM 396 CG ASP A 27 10.486 10.447 0.279 1.00 0.00 C ATOM 397 OD1 ASP A 27 9.273 10.326 0.349 1.00 0.00 O ATOM 398 OD2 ASP A 27 11.086 11.470 0.560 1.00 0.00 O ATOM 0 H ASP A 27 10.733 7.947 1.954 1.00 0.00 H new ATOM 0 HA ASP A 27 9.525 8.172 -0.745 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.171 9.104 0.455 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.675 9.409 -1.198 1.00 0.00 H new ATOM 403 N LEU A 28 11.213 5.704 -0.034 1.00 0.00 N ATOM 404 CA LEU A 28 11.946 4.503 -0.523 1.00 0.00 C ATOM 405 C LEU A 28 11.033 3.683 -1.428 1.00 0.00 C ATOM 406 O LEU A 28 9.893 3.418 -1.100 1.00 0.00 O ATOM 407 CB LEU A 28 12.363 3.642 0.672 1.00 0.00 C ATOM 408 CG LEU A 28 13.240 2.477 0.201 1.00 0.00 C ATOM 409 CD1 LEU A 28 14.708 2.906 0.208 1.00 0.00 C ATOM 410 CD2 LEU A 28 13.048 1.285 1.142 1.00 0.00 C ATOM 0 H LEU A 28 10.746 5.587 0.865 1.00 0.00 H new ATOM 0 HA LEU A 28 12.828 4.820 -1.079 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.908 4.249 1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.478 3.259 1.181 1.00 0.00 H new ATOM 0 HG LEU A 28 12.954 2.191 -0.811 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.331 2.077 -0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.842 3.755 -0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.998 3.193 1.219 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.671 0.455 0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.335 1.571 2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.002 0.980 1.134 1.00 0.00 H new ATOM 422 N ASP A 29 11.527 3.263 -2.557 1.00 0.00 N ATOM 423 CA ASP A 29 10.685 2.444 -3.463 1.00 0.00 C ATOM 424 C ASP A 29 10.426 1.098 -2.789 1.00 0.00 C ATOM 425 O ASP A 29 11.345 0.375 -2.458 1.00 0.00 O ATOM 426 CB ASP A 29 11.424 2.225 -4.785 1.00 0.00 C ATOM 427 CG ASP A 29 11.539 3.554 -5.533 1.00 0.00 C ATOM 428 OD1 ASP A 29 10.878 4.497 -5.131 1.00 0.00 O ATOM 429 OD2 ASP A 29 12.287 3.608 -6.495 1.00 0.00 O ATOM 0 H ASP A 29 12.473 3.451 -2.889 1.00 0.00 H new ATOM 0 HA ASP A 29 9.741 2.950 -3.665 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.416 1.815 -4.595 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.890 1.497 -5.396 1.00 0.00 H new ATOM 434 N LEU A 30 9.188 0.756 -2.571 1.00 0.00 N ATOM 435 CA LEU A 30 8.893 -0.542 -1.906 1.00 0.00 C ATOM 436 C LEU A 30 9.153 -1.685 -2.888 1.00 0.00 C ATOM 437 O LEU A 30 8.819 -2.825 -2.631 1.00 0.00 O ATOM 438 CB LEU A 30 7.431 -0.571 -1.444 1.00 0.00 C ATOM 439 CG LEU A 30 6.504 -0.482 -2.656 1.00 0.00 C ATOM 440 CD1 LEU A 30 5.667 -1.758 -2.754 1.00 0.00 C ATOM 441 CD2 LEU A 30 5.575 0.724 -2.497 1.00 0.00 C ATOM 0 H LEU A 30 8.373 1.315 -2.823 1.00 0.00 H new ATOM 0 HA LEU A 30 9.539 -0.659 -1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.233 -1.488 -0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.238 0.260 -0.765 1.00 0.00 H new ATOM 0 HG LEU A 30 7.100 -0.368 -3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.006 -1.694 -3.618 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.327 -2.618 -2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.071 -1.872 -1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.913 0.790 -3.360 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.980 0.608 -1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.170 1.635 -2.426 1.00 0.00 H new ATOM 453 N VAL A 31 9.751 -1.390 -4.013 1.00 0.00 N ATOM 454 CA VAL A 31 10.031 -2.466 -5.004 1.00 0.00 C ATOM 455 C VAL A 31 10.773 -3.600 -4.303 1.00 0.00 C ATOM 456 O VAL A 31 10.514 -4.765 -4.537 1.00 0.00 O ATOM 457 CB VAL A 31 10.893 -1.909 -6.139 1.00 0.00 C ATOM 458 CG1 VAL A 31 12.335 -1.754 -5.655 1.00 0.00 C ATOM 459 CG2 VAL A 31 10.856 -2.873 -7.327 1.00 0.00 C ATOM 0 H VAL A 31 10.055 -0.455 -4.286 1.00 0.00 H new ATOM 0 HA VAL A 31 9.095 -2.839 -5.420 1.00 0.00 H new ATOM 0 HB VAL A 31 10.506 -0.937 -6.446 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.949 -1.357 -6.463 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.363 -1.069 -4.808 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.722 -2.726 -5.348 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.470 -2.477 -8.136 1.00 0.00 H new ATOM 0 HG22 VAL A 31 11.243 -3.844 -7.020 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.828 -2.985 -7.673 1.00 0.00 H new ATOM 469 N ASP A 32 11.678 -3.272 -3.423 1.00 0.00 N ATOM 470 CA ASP A 32 12.411 -4.338 -2.688 1.00 0.00 C ATOM 471 C ASP A 32 11.377 -5.196 -1.966 1.00 0.00 C ATOM 472 O ASP A 32 11.503 -6.399 -1.861 1.00 0.00 O ATOM 473 CB ASP A 32 13.361 -3.704 -1.669 1.00 0.00 C ATOM 474 CG ASP A 32 14.472 -2.953 -2.404 1.00 0.00 C ATOM 475 OD1 ASP A 32 14.595 -3.140 -3.604 1.00 0.00 O ATOM 476 OD2 ASP A 32 15.181 -2.201 -1.756 1.00 0.00 O ATOM 0 H ASP A 32 11.940 -2.316 -3.182 1.00 0.00 H new ATOM 0 HA ASP A 32 12.998 -4.945 -3.377 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.812 -3.020 -1.021 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.791 -4.474 -1.028 1.00 0.00 H new ATOM 481 N ASN A 33 10.338 -4.569 -1.487 1.00 0.00 N ATOM 482 CA ASN A 33 9.260 -5.312 -0.788 1.00 0.00 C ATOM 483 C ASN A 33 8.292 -5.855 -1.839 1.00 0.00 C ATOM 484 O ASN A 33 7.186 -6.257 -1.537 1.00 0.00 O ATOM 485 CB ASN A 33 8.520 -4.366 0.154 1.00 0.00 C ATOM 486 CG ASN A 33 9.511 -3.757 1.145 1.00 0.00 C ATOM 487 OD1 ASN A 33 9.873 -2.513 1.000 1.00 0.00 O flip ATOM 488 ND2 ASN A 33 9.964 -4.420 2.056 1.00 0.00 N flip ATOM 0 H ASN A 33 10.191 -3.562 -1.553 1.00 0.00 H new ATOM 0 HA ASN A 33 9.680 -6.133 -0.207 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.029 -3.578 -0.417 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.739 -4.906 0.689 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.680 -5.393 2.169 1.00 0.00 H new ATOM 0 HD22 ASN A 33 10.628 -4.004 2.709 1.00 0.00 H new ATOM 495 N GLY A 34 8.710 -5.851 -3.078 1.00 0.00 N ATOM 496 CA GLY A 34 7.834 -6.350 -4.176 1.00 0.00 C ATOM 497 C GLY A 34 7.130 -7.630 -3.733 1.00 0.00 C ATOM 498 O GLY A 34 6.164 -8.056 -4.330 1.00 0.00 O ATOM 0 H GLY A 34 9.628 -5.521 -3.377 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.097 -5.591 -4.439 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.428 -6.541 -5.070 1.00 0.00 H new ATOM 502 N VAL A 35 7.590 -8.245 -2.684 1.00 0.00 N ATOM 503 CA VAL A 35 6.921 -9.487 -2.216 1.00 0.00 C ATOM 504 C VAL A 35 5.424 -9.201 -2.077 1.00 0.00 C ATOM 505 O VAL A 35 4.589 -10.031 -2.376 1.00 0.00 O ATOM 506 CB VAL A 35 7.493 -9.896 -0.857 1.00 0.00 C ATOM 507 CG1 VAL A 35 6.649 -11.026 -0.264 1.00 0.00 C ATOM 508 CG2 VAL A 35 8.934 -10.378 -1.035 1.00 0.00 C ATOM 0 H VAL A 35 8.394 -7.945 -2.133 1.00 0.00 H new ATOM 0 HA VAL A 35 7.086 -10.296 -2.927 1.00 0.00 H new ATOM 0 HB VAL A 35 7.475 -9.039 -0.184 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.058 -11.316 0.704 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.622 -10.684 -0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.665 -11.884 -0.936 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.342 -10.670 -0.067 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.951 -11.235 -1.709 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.537 -9.574 -1.456 1.00 0.00 H new ATOM 518 N ILE A 36 5.086 -8.025 -1.625 1.00 0.00 N ATOM 519 CA ILE A 36 3.651 -7.662 -1.460 1.00 0.00 C ATOM 520 C ILE A 36 2.995 -7.474 -2.830 1.00 0.00 C ATOM 521 O ILE A 36 1.799 -7.579 -2.976 1.00 0.00 O ATOM 522 CB ILE A 36 3.555 -6.340 -0.700 1.00 0.00 C ATOM 523 CG1 ILE A 36 2.194 -6.247 -0.015 1.00 0.00 C ATOM 524 CG2 ILE A 36 3.703 -5.179 -1.684 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.031 -4.864 0.616 1.00 0.00 C ATOM 0 H ILE A 36 5.748 -7.295 -1.361 1.00 0.00 H new ATOM 0 HA ILE A 36 3.145 -8.459 -0.915 1.00 0.00 H new ATOM 0 HB ILE A 36 4.346 -6.291 0.048 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.398 -6.424 -0.739 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.107 -7.019 0.749 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.635 -4.234 -1.145 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.671 -5.244 -2.181 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.909 -5.230 -2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.059 -4.799 1.105 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.819 -4.705 1.353 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.099 -4.100 -0.159 1.00 0.00 H new ATOM 537 N ASP A 37 3.769 -7.161 -3.826 1.00 0.00 N ATOM 538 CA ASP A 37 3.189 -6.927 -5.181 1.00 0.00 C ATOM 539 C ASP A 37 2.472 -8.177 -5.705 1.00 0.00 C ATOM 540 O ASP A 37 1.518 -8.074 -6.450 1.00 0.00 O ATOM 541 CB ASP A 37 4.298 -6.531 -6.160 1.00 0.00 C ATOM 542 CG ASP A 37 4.885 -5.180 -5.746 1.00 0.00 C ATOM 543 OD1 ASP A 37 4.272 -4.516 -4.927 1.00 0.00 O ATOM 544 OD2 ASP A 37 5.939 -4.834 -6.255 1.00 0.00 O ATOM 0 H ASP A 37 4.782 -7.056 -3.764 1.00 0.00 H new ATOM 0 HA ASP A 37 2.460 -6.121 -5.098 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.079 -7.292 -6.169 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.900 -6.472 -7.173 1.00 0.00 H new ATOM 549 N SER A 38 2.928 -9.353 -5.357 1.00 0.00 N ATOM 550 CA SER A 38 2.261 -10.582 -5.882 1.00 0.00 C ATOM 551 C SER A 38 1.423 -11.269 -4.799 1.00 0.00 C ATOM 552 O SER A 38 0.217 -11.372 -4.910 1.00 0.00 O ATOM 553 CB SER A 38 3.323 -11.559 -6.390 1.00 0.00 C ATOM 554 OG SER A 38 3.414 -11.456 -7.818 1.00 0.00 O ATOM 0 H SER A 38 3.724 -9.515 -4.740 1.00 0.00 H new ATOM 0 HA SER A 38 1.597 -10.286 -6.694 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.288 -11.335 -5.935 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.064 -12.578 -6.103 1.00 0.00 H new ATOM 0 HG SER A 38 4.095 -12.079 -8.148 1.00 0.00 H new ATOM 559 N LEU A 39 2.051 -11.768 -3.772 1.00 0.00 N ATOM 560 CA LEU A 39 1.285 -12.482 -2.709 1.00 0.00 C ATOM 561 C LEU A 39 0.474 -11.499 -1.868 1.00 0.00 C ATOM 562 O LEU A 39 -0.716 -11.661 -1.683 1.00 0.00 O ATOM 563 CB LEU A 39 2.262 -13.238 -1.808 1.00 0.00 C ATOM 564 CG LEU A 39 1.489 -14.118 -0.823 1.00 0.00 C ATOM 565 CD1 LEU A 39 2.224 -15.447 -0.644 1.00 0.00 C ATOM 566 CD2 LEU A 39 1.395 -13.410 0.533 1.00 0.00 C ATOM 0 H LEU A 39 3.058 -11.714 -3.621 1.00 0.00 H new ATOM 0 HA LEU A 39 0.595 -13.179 -3.184 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.927 -13.853 -2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.889 -12.532 -1.263 1.00 0.00 H new ATOM 0 HG LEU A 39 0.487 -14.300 -1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.675 -16.075 0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.297 -15.955 -1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.225 -15.260 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.844 -14.038 1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.398 -13.229 0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.876 -12.459 0.412 1.00 0.00 H new ATOM 578 N GLY A 40 1.103 -10.485 -1.354 1.00 0.00 N ATOM 579 CA GLY A 40 0.362 -9.500 -0.518 1.00 0.00 C ATOM 580 C GLY A 40 -0.651 -8.756 -1.382 1.00 0.00 C ATOM 581 O GLY A 40 -1.736 -8.431 -0.947 1.00 0.00 O ATOM 0 H GLY A 40 2.097 -10.293 -1.475 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.147 -10.011 0.299 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.059 -8.794 -0.067 1.00 0.00 H new ATOM 585 N LEU A 41 -0.299 -8.476 -2.603 1.00 0.00 N ATOM 586 CA LEU A 41 -1.231 -7.745 -3.502 1.00 0.00 C ATOM 587 C LEU A 41 -2.525 -8.542 -3.643 1.00 0.00 C ATOM 588 O LEU A 41 -3.607 -7.993 -3.635 1.00 0.00 O ATOM 589 CB LEU A 41 -0.573 -7.580 -4.873 1.00 0.00 C ATOM 590 CG LEU A 41 -1.460 -6.726 -5.783 1.00 0.00 C ATOM 591 CD1 LEU A 41 -1.134 -5.249 -5.570 1.00 0.00 C ATOM 592 CD2 LEU A 41 -1.195 -7.098 -7.245 1.00 0.00 C ATOM 0 H LEU A 41 0.599 -8.723 -3.019 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.458 -6.763 -3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.405 -7.112 -4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.408 -8.558 -5.326 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.508 -6.906 -5.544 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.765 -4.640 -6.217 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.318 -4.982 -4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.086 -5.069 -5.811 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.826 -6.491 -7.895 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.147 -6.915 -7.483 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.424 -8.153 -7.399 1.00 0.00 H new ATOM 604 N LEU A 42 -2.425 -9.833 -3.768 1.00 0.00 N ATOM 605 CA LEU A 42 -3.660 -10.651 -3.904 1.00 0.00 C ATOM 606 C LEU A 42 -4.492 -10.501 -2.630 1.00 0.00 C ATOM 607 O LEU A 42 -5.693 -10.318 -2.675 1.00 0.00 O ATOM 608 CB LEU A 42 -3.281 -12.120 -4.103 1.00 0.00 C ATOM 609 CG LEU A 42 -4.534 -12.945 -4.402 1.00 0.00 C ATOM 610 CD1 LEU A 42 -4.826 -12.887 -5.899 1.00 0.00 C ATOM 611 CD2 LEU A 42 -4.299 -14.397 -3.984 1.00 0.00 C ATOM 0 H LEU A 42 -1.549 -10.355 -3.782 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.238 -10.313 -4.764 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.569 -12.213 -4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.788 -12.502 -3.209 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.381 -12.542 -3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.718 -13.473 -6.119 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.989 -11.852 -6.198 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.979 -13.295 -6.451 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.191 -14.986 -4.197 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.455 -14.804 -4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.083 -14.438 -2.916 1.00 0.00 H new ATOM 623 N LYS A 43 -3.856 -10.568 -1.492 1.00 0.00 N ATOM 624 CA LYS A 43 -4.598 -10.420 -0.212 1.00 0.00 C ATOM 625 C LYS A 43 -5.034 -8.963 -0.026 1.00 0.00 C ATOM 626 O LYS A 43 -6.108 -8.681 0.469 1.00 0.00 O ATOM 627 CB LYS A 43 -3.689 -10.833 0.942 1.00 0.00 C ATOM 628 CG LYS A 43 -3.357 -12.321 0.824 1.00 0.00 C ATOM 629 CD LYS A 43 -2.544 -12.762 2.042 1.00 0.00 C ATOM 630 CE LYS A 43 -2.110 -14.218 1.867 1.00 0.00 C ATOM 631 NZ LYS A 43 -0.948 -14.501 2.757 1.00 0.00 N ATOM 0 H LYS A 43 -2.852 -10.719 -1.396 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.484 -11.055 -0.230 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.773 -10.243 0.926 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.180 -10.634 1.895 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.275 -12.905 0.756 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.792 -12.507 -0.090 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.669 -12.122 2.159 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.140 -12.656 2.948 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.937 -14.886 2.107 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.840 -14.406 0.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.367 -15.257 2.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.373 -13.641 2.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.292 -14.804 3.691 1.00 0.00 H new ATOM 645 N VAL A 44 -4.197 -8.035 -0.407 1.00 0.00 N ATOM 646 CA VAL A 44 -4.543 -6.594 -0.243 1.00 0.00 C ATOM 647 C VAL A 44 -5.745 -6.235 -1.119 1.00 0.00 C ATOM 648 O VAL A 44 -6.661 -5.565 -0.688 1.00 0.00 O ATOM 649 CB VAL A 44 -3.340 -5.743 -0.659 1.00 0.00 C ATOM 650 CG1 VAL A 44 -3.712 -4.260 -0.617 1.00 0.00 C ATOM 651 CG2 VAL A 44 -2.179 -6.006 0.300 1.00 0.00 C ATOM 0 H VAL A 44 -3.285 -8.215 -0.826 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.797 -6.402 0.799 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.045 -6.008 -1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.852 -3.660 -0.914 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.539 -4.073 -1.302 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.011 -3.988 0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.321 -5.402 0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.478 -5.743 1.315 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.909 -7.061 0.264 1.00 0.00 H new ATOM 661 N ILE A 45 -5.748 -6.671 -2.346 1.00 0.00 N ATOM 662 CA ILE A 45 -6.887 -6.351 -3.247 1.00 0.00 C ATOM 663 C ILE A 45 -8.174 -6.951 -2.680 1.00 0.00 C ATOM 664 O ILE A 45 -9.215 -6.326 -2.684 1.00 0.00 O ATOM 665 CB ILE A 45 -6.605 -6.932 -4.636 1.00 0.00 C ATOM 666 CG1 ILE A 45 -5.961 -5.861 -5.523 1.00 0.00 C ATOM 667 CG2 ILE A 45 -7.911 -7.401 -5.278 1.00 0.00 C ATOM 668 CD1 ILE A 45 -4.800 -5.194 -4.782 1.00 0.00 C ATOM 0 H ILE A 45 -5.009 -7.236 -2.764 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.006 -5.270 -3.324 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.926 -7.779 -4.535 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.601 -6.312 -6.448 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.703 -5.113 -5.801 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.704 -7.813 -6.266 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.368 -8.168 -4.653 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.593 -6.556 -5.373 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.349 -4.435 -5.421 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.171 -4.727 -3.870 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.052 -5.945 -4.527 1.00 0.00 H new ATOM 680 N ALA A 46 -8.114 -8.160 -2.194 1.00 0.00 N ATOM 681 CA ALA A 46 -9.336 -8.798 -1.632 1.00 0.00 C ATOM 682 C ALA A 46 -9.817 -8.017 -0.406 1.00 0.00 C ATOM 683 O ALA A 46 -10.995 -7.777 -0.233 1.00 0.00 O ATOM 684 CB ALA A 46 -9.009 -10.234 -1.220 1.00 0.00 C ATOM 0 H ALA A 46 -7.271 -8.733 -2.162 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.122 -8.798 -2.387 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.901 -10.706 -0.808 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.672 -10.795 -2.092 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.221 -10.226 -0.467 1.00 0.00 H new ATOM 690 N TRP A 47 -8.913 -7.621 0.448 1.00 0.00 N ATOM 691 CA TRP A 47 -9.317 -6.859 1.664 1.00 0.00 C ATOM 692 C TRP A 47 -9.641 -5.415 1.287 1.00 0.00 C ATOM 693 O TRP A 47 -10.612 -4.845 1.743 1.00 0.00 O ATOM 694 CB TRP A 47 -8.170 -6.881 2.675 1.00 0.00 C ATOM 695 CG TRP A 47 -8.145 -5.599 3.445 1.00 0.00 C ATOM 696 CD1 TRP A 47 -8.872 -5.342 4.557 1.00 0.00 C ATOM 697 CD2 TRP A 47 -7.359 -4.401 3.185 1.00 0.00 C ATOM 698 NE1 TRP A 47 -8.579 -4.061 4.994 1.00 0.00 N ATOM 699 CE2 TRP A 47 -7.650 -3.442 4.182 1.00 0.00 C ATOM 700 CE3 TRP A 47 -6.430 -4.060 2.190 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -7.038 -2.188 4.190 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -5.812 -2.800 2.193 1.00 0.00 C ATOM 703 CH2 TRP A 47 -6.115 -1.867 3.192 1.00 0.00 C ATOM 0 H TRP A 47 -7.912 -7.792 0.356 1.00 0.00 H new ATOM 0 HA TRP A 47 -10.202 -7.319 2.103 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.291 -7.723 3.357 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -7.221 -7.023 2.158 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -9.566 -6.023 5.026 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -8.999 -3.627 5.816 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -6.189 -4.773 1.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.276 -1.471 4.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.099 -2.549 1.421 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.635 -0.899 3.191 1.00 0.00 H new ATOM 714 N LEU A 48 -8.828 -4.814 0.464 1.00 0.00 N ATOM 715 CA LEU A 48 -9.080 -3.404 0.067 1.00 0.00 C ATOM 716 C LEU A 48 -10.441 -3.294 -0.622 1.00 0.00 C ATOM 717 O LEU A 48 -11.202 -2.380 -0.370 1.00 0.00 O ATOM 718 CB LEU A 48 -7.982 -2.954 -0.897 1.00 0.00 C ATOM 719 CG LEU A 48 -8.132 -1.468 -1.191 1.00 0.00 C ATOM 720 CD1 LEU A 48 -7.786 -0.664 0.059 1.00 0.00 C ATOM 721 CD2 LEU A 48 -7.184 -1.080 -2.326 1.00 0.00 C ATOM 0 H LEU A 48 -7.999 -5.240 0.049 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.078 -2.770 0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.001 -3.151 -0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.042 -3.525 -1.823 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.160 -1.255 -1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.893 0.400 -0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.459 -0.943 0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.758 -0.874 0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.288 -0.016 -2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.156 -1.292 -2.030 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.430 -1.655 -3.218 1.00 0.00 H new ATOM 733 N GLU A 49 -10.762 -4.221 -1.482 1.00 0.00 N ATOM 734 CA GLU A 49 -12.079 -4.166 -2.172 1.00 0.00 C ATOM 735 C GLU A 49 -13.187 -4.379 -1.145 1.00 0.00 C ATOM 736 O GLU A 49 -14.204 -3.718 -1.162 1.00 0.00 O ATOM 737 CB GLU A 49 -12.142 -5.260 -3.245 1.00 0.00 C ATOM 738 CG GLU A 49 -13.565 -5.807 -3.347 1.00 0.00 C ATOM 739 CD GLU A 49 -13.704 -6.639 -4.623 1.00 0.00 C ATOM 740 OE1 GLU A 49 -12.689 -6.907 -5.244 1.00 0.00 O ATOM 741 OE2 GLU A 49 -14.823 -6.993 -4.957 1.00 0.00 O ATOM 0 H GLU A 49 -10.170 -5.012 -1.736 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.208 -3.195 -2.649 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.829 -4.856 -4.208 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.450 -6.065 -2.997 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.794 -6.419 -2.475 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.281 -4.986 -3.356 1.00 0.00 H new ATOM 748 N ASP A 50 -12.990 -5.297 -0.245 1.00 0.00 N ATOM 749 CA ASP A 50 -14.017 -5.560 0.797 1.00 0.00 C ATOM 750 C ASP A 50 -14.137 -4.350 1.724 1.00 0.00 C ATOM 751 O ASP A 50 -15.206 -4.013 2.193 1.00 0.00 O ATOM 752 CB ASP A 50 -13.595 -6.778 1.614 1.00 0.00 C ATOM 753 CG ASP A 50 -14.737 -7.197 2.539 1.00 0.00 C ATOM 754 OD1 ASP A 50 -15.803 -6.613 2.434 1.00 0.00 O ATOM 755 OD2 ASP A 50 -14.529 -8.098 3.336 1.00 0.00 O ATOM 0 H ASP A 50 -12.156 -5.881 -0.186 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.980 -5.744 0.320 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.332 -7.601 0.949 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.706 -6.545 2.200 1.00 0.00 H new ATOM 760 N ARG A 51 -13.036 -3.715 2.013 1.00 0.00 N ATOM 761 CA ARG A 51 -13.059 -2.544 2.936 1.00 0.00 C ATOM 762 C ARG A 51 -13.979 -1.441 2.395 1.00 0.00 C ATOM 763 O ARG A 51 -14.714 -0.828 3.144 1.00 0.00 O ATOM 764 CB ARG A 51 -11.638 -1.999 3.086 1.00 0.00 C ATOM 765 CG ARG A 51 -11.588 -1.010 4.252 1.00 0.00 C ATOM 766 CD ARG A 51 -10.182 -0.420 4.358 1.00 0.00 C ATOM 767 NE ARG A 51 -10.092 0.436 5.574 1.00 0.00 N ATOM 768 CZ ARG A 51 -10.429 1.697 5.515 1.00 0.00 C ATOM 769 NH1 ARG A 51 -10.345 2.444 6.582 1.00 0.00 N ATOM 770 NH2 ARG A 51 -10.850 2.211 4.392 1.00 0.00 N ATOM 0 H ARG A 51 -12.115 -3.958 1.648 1.00 0.00 H new ATOM 0 HA ARG A 51 -13.442 -2.865 3.905 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.940 -2.818 3.260 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.327 -1.506 2.165 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.318 -0.215 4.100 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.854 -1.513 5.182 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.443 -1.220 4.408 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.955 0.168 3.469 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.767 0.037 6.454 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.017 2.043 7.461 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.608 3.429 6.537 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.917 1.628 3.558 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.113 3.196 4.349 1.00 0.00 H new ATOM 784 N PHE A 52 -13.942 -1.172 1.112 1.00 0.00 N ATOM 785 CA PHE A 52 -14.818 -0.093 0.551 1.00 0.00 C ATOM 786 C PHE A 52 -15.783 -0.673 -0.485 1.00 0.00 C ATOM 787 O PHE A 52 -16.634 0.020 -1.008 1.00 0.00 O ATOM 788 CB PHE A 52 -13.953 0.985 -0.106 1.00 0.00 C ATOM 789 CG PHE A 52 -13.910 2.206 0.781 1.00 0.00 C ATOM 790 CD1 PHE A 52 -14.406 3.429 0.312 1.00 0.00 C ATOM 791 CD2 PHE A 52 -13.377 2.117 2.071 1.00 0.00 C ATOM 792 CE1 PHE A 52 -14.369 4.561 1.134 1.00 0.00 C ATOM 793 CE2 PHE A 52 -13.340 3.249 2.894 1.00 0.00 C ATOM 794 CZ PHE A 52 -13.836 4.472 2.425 1.00 0.00 C ATOM 0 H PHE A 52 -13.348 -1.648 0.433 1.00 0.00 H new ATOM 0 HA PHE A 52 -15.395 0.346 1.365 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -12.944 0.606 -0.271 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -14.359 1.246 -1.083 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -14.817 3.498 -0.684 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -12.994 1.174 2.433 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.752 5.504 0.772 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -12.929 3.179 3.890 1.00 0.00 H new ATOM 0 HZ PHE A 52 -13.807 5.346 3.059 1.00 0.00 H new ATOM 804 N GLY A 53 -15.668 -1.935 -0.788 1.00 0.00 N ATOM 805 CA GLY A 53 -16.589 -2.545 -1.789 1.00 0.00 C ATOM 806 C GLY A 53 -16.196 -2.100 -3.201 1.00 0.00 C ATOM 807 O GLY A 53 -17.037 -1.766 -4.011 1.00 0.00 O ATOM 0 H GLY A 53 -14.978 -2.570 -0.387 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.549 -3.632 -1.717 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -17.617 -2.249 -1.578 1.00 0.00 H new ATOM 811 N ILE A 54 -14.926 -2.092 -3.504 1.00 0.00 N ATOM 812 CA ILE A 54 -14.487 -1.666 -4.865 1.00 0.00 C ATOM 813 C ILE A 54 -14.173 -2.904 -5.706 1.00 0.00 C ATOM 814 O ILE A 54 -13.616 -3.865 -5.224 1.00 0.00 O ATOM 815 CB ILE A 54 -13.230 -0.806 -4.744 1.00 0.00 C ATOM 816 CG1 ILE A 54 -13.520 0.380 -3.824 1.00 0.00 C ATOM 817 CG2 ILE A 54 -12.823 -0.291 -6.126 1.00 0.00 C ATOM 818 CD1 ILE A 54 -12.209 1.079 -3.466 1.00 0.00 C ATOM 0 H ILE A 54 -14.174 -2.361 -2.869 1.00 0.00 H new ATOM 0 HA ILE A 54 -15.280 -1.091 -5.342 1.00 0.00 H new ATOM 0 HB ILE A 54 -12.418 -1.404 -4.330 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.195 1.080 -4.317 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.021 0.038 -2.919 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -11.926 0.322 -6.036 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -12.621 -1.136 -6.784 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.632 0.308 -6.544 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.415 1.925 -2.810 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.550 0.377 -2.956 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.726 1.435 -4.376 1.00 0.00 H new ATOM 830 N ALA A 55 -14.526 -2.895 -6.960 1.00 0.00 N ATOM 831 CA ALA A 55 -14.243 -4.083 -7.813 1.00 0.00 C ATOM 832 C ALA A 55 -12.731 -4.301 -7.894 1.00 0.00 C ATOM 833 O ALA A 55 -11.968 -3.370 -8.057 1.00 0.00 O ATOM 834 CB ALA A 55 -14.801 -3.848 -9.218 1.00 0.00 C ATOM 0 H ALA A 55 -14.996 -2.121 -7.430 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.715 -4.964 -7.379 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.594 -4.717 -9.842 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.878 -3.691 -9.160 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.329 -2.968 -9.654 1.00 0.00 H new ATOM 840 N ALA A 56 -12.294 -5.525 -7.779 1.00 0.00 N ATOM 841 CA ALA A 56 -10.833 -5.803 -7.847 1.00 0.00 C ATOM 842 C ALA A 56 -10.309 -5.439 -9.238 1.00 0.00 C ATOM 843 O ALA A 56 -9.187 -5.001 -9.397 1.00 0.00 O ATOM 844 CB ALA A 56 -10.585 -7.289 -7.583 1.00 0.00 C ATOM 0 H ALA A 56 -12.886 -6.344 -7.641 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.314 -5.208 -7.095 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.516 -7.494 -7.633 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.959 -7.550 -6.593 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.104 -7.884 -8.335 1.00 0.00 H new ATOM 850 N ASP A 57 -11.115 -5.621 -10.249 1.00 0.00 N ATOM 851 CA ASP A 57 -10.669 -5.293 -11.631 1.00 0.00 C ATOM 852 C ASP A 57 -11.112 -3.874 -11.996 1.00 0.00 C ATOM 853 O ASP A 57 -10.990 -3.447 -13.126 1.00 0.00 O ATOM 854 CB ASP A 57 -11.284 -6.285 -12.615 1.00 0.00 C ATOM 855 CG ASP A 57 -10.709 -7.680 -12.363 1.00 0.00 C ATOM 856 OD1 ASP A 57 -9.733 -7.775 -11.636 1.00 0.00 O ATOM 857 OD2 ASP A 57 -11.254 -8.630 -12.901 1.00 0.00 O ATOM 0 H ASP A 57 -12.065 -5.984 -10.176 1.00 0.00 H new ATOM 0 HA ASP A 57 -9.582 -5.355 -11.681 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.368 -6.301 -12.501 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.076 -5.974 -13.639 1.00 0.00 H new ATOM 862 N ASP A 58 -11.629 -3.138 -11.049 1.00 0.00 N ATOM 863 CA ASP A 58 -12.078 -1.750 -11.351 1.00 0.00 C ATOM 864 C ASP A 58 -10.934 -0.982 -12.015 1.00 0.00 C ATOM 865 O ASP A 58 -11.143 -0.187 -12.910 1.00 0.00 O ATOM 866 CB ASP A 58 -12.479 -1.050 -10.054 1.00 0.00 C ATOM 867 CG ASP A 58 -13.129 0.296 -10.380 1.00 0.00 C ATOM 868 OD1 ASP A 58 -14.317 0.307 -10.657 1.00 0.00 O ATOM 869 OD2 ASP A 58 -12.428 1.294 -10.345 1.00 0.00 O ATOM 0 H ASP A 58 -11.759 -3.437 -10.083 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.935 -1.781 -12.024 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.173 -1.674 -9.491 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.603 -0.899 -9.424 1.00 0.00 H new ATOM 874 N VAL A 59 -9.727 -1.220 -11.585 1.00 0.00 N ATOM 875 CA VAL A 59 -8.561 -0.514 -12.189 1.00 0.00 C ATOM 876 C VAL A 59 -7.459 -1.530 -12.488 1.00 0.00 C ATOM 877 O VAL A 59 -7.266 -2.481 -11.757 1.00 0.00 O ATOM 878 CB VAL A 59 -8.036 0.538 -11.209 1.00 0.00 C ATOM 879 CG1 VAL A 59 -7.472 -0.156 -9.968 1.00 0.00 C ATOM 880 CG2 VAL A 59 -6.932 1.355 -11.882 1.00 0.00 C ATOM 0 H VAL A 59 -9.496 -1.875 -10.838 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.868 -0.024 -13.113 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.851 1.200 -10.916 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.098 0.593 -9.270 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.258 -0.739 -9.488 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.657 -0.818 -10.260 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.558 2.104 -11.185 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.117 0.693 -12.176 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.333 1.850 -12.766 1.00 0.00 H new ATOM 890 N GLU A 60 -6.732 -1.340 -13.555 1.00 0.00 N ATOM 891 CA GLU A 60 -5.647 -2.304 -13.889 1.00 0.00 C ATOM 892 C GLU A 60 -4.435 -2.034 -12.998 1.00 0.00 C ATOM 893 O GLU A 60 -4.064 -0.901 -12.763 1.00 0.00 O ATOM 894 CB GLU A 60 -5.246 -2.142 -15.355 1.00 0.00 C ATOM 895 CG GLU A 60 -4.211 -3.201 -15.714 1.00 0.00 C ATOM 896 CD GLU A 60 -3.753 -3.003 -17.160 1.00 0.00 C ATOM 897 OE1 GLU A 60 -2.940 -3.791 -17.615 1.00 0.00 O ATOM 898 OE2 GLU A 60 -4.221 -2.067 -17.786 1.00 0.00 O ATOM 0 H GLU A 60 -6.842 -0.563 -14.207 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.004 -3.320 -13.723 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.122 -2.241 -15.997 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.838 -1.146 -15.524 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.358 -3.133 -15.039 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.637 -4.197 -15.590 1.00 0.00 H new ATOM 905 N LEU A 61 -3.821 -3.067 -12.493 1.00 0.00 N ATOM 906 CA LEU A 61 -2.640 -2.875 -11.610 1.00 0.00 C ATOM 907 C LEU A 61 -1.359 -3.200 -12.383 1.00 0.00 C ATOM 908 O LEU A 61 -1.299 -4.157 -13.130 1.00 0.00 O ATOM 909 CB LEU A 61 -2.758 -3.811 -10.405 1.00 0.00 C ATOM 910 CG LEU A 61 -4.131 -3.637 -9.758 1.00 0.00 C ATOM 911 CD1 LEU A 61 -4.180 -4.415 -8.443 1.00 0.00 C ATOM 912 CD2 LEU A 61 -4.385 -2.153 -9.486 1.00 0.00 C ATOM 0 H LEU A 61 -4.088 -4.038 -12.655 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.602 -1.839 -11.272 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.621 -4.846 -10.720 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.973 -3.591 -9.682 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.899 -4.017 -10.432 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.160 -4.290 -7.983 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.004 -5.473 -8.639 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.411 -4.038 -7.768 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.365 -2.030 -9.024 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.617 -1.770 -8.814 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.355 -1.601 -10.425 1.00 0.00 H new ATOM 924 N SER A 62 -0.332 -2.414 -12.203 1.00 0.00 N ATOM 925 CA SER A 62 0.947 -2.678 -12.917 1.00 0.00 C ATOM 926 C SER A 62 2.111 -2.521 -11.933 1.00 0.00 C ATOM 927 O SER A 62 2.002 -1.821 -10.946 1.00 0.00 O ATOM 928 CB SER A 62 1.109 -1.681 -14.065 1.00 0.00 C ATOM 929 OG SER A 62 1.199 -2.390 -15.294 1.00 0.00 O ATOM 0 H SER A 62 -0.325 -1.599 -11.590 1.00 0.00 H new ATOM 0 HA SER A 62 0.940 -3.691 -13.320 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.262 -0.995 -14.089 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.004 -1.077 -13.914 1.00 0.00 H new ATOM 0 HG SER A 62 1.301 -1.754 -16.032 1.00 0.00 H new ATOM 935 N PRO A 63 3.213 -3.171 -12.196 1.00 0.00 N ATOM 936 CA PRO A 63 4.415 -3.106 -11.314 1.00 0.00 C ATOM 937 C PRO A 63 4.989 -1.690 -11.216 1.00 0.00 C ATOM 938 O PRO A 63 5.559 -1.307 -10.214 1.00 0.00 O ATOM 939 CB PRO A 63 5.426 -4.046 -11.979 1.00 0.00 C ATOM 940 CG PRO A 63 4.950 -4.234 -13.383 1.00 0.00 C ATOM 941 CD PRO A 63 3.438 -4.033 -13.364 1.00 0.00 C ATOM 0 HA PRO A 63 4.171 -3.391 -10.291 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.428 -3.618 -11.961 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.477 -4.999 -11.453 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.427 -3.518 -14.052 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.204 -5.229 -13.748 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.086 -3.563 -14.282 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.910 -4.982 -13.269 1.00 0.00 H new ATOM 949 N GLU A 64 4.846 -0.915 -12.253 1.00 0.00 N ATOM 950 CA GLU A 64 5.386 0.474 -12.230 1.00 0.00 C ATOM 951 C GLU A 64 4.635 1.311 -11.191 1.00 0.00 C ATOM 952 O GLU A 64 5.182 2.213 -10.590 1.00 0.00 O ATOM 953 CB GLU A 64 5.212 1.108 -13.610 1.00 0.00 C ATOM 954 CG GLU A 64 6.055 0.351 -14.631 1.00 0.00 C ATOM 955 CD GLU A 64 5.934 1.027 -15.997 1.00 0.00 C ATOM 956 OE1 GLU A 64 6.677 0.652 -16.889 1.00 0.00 O ATOM 957 OE2 GLU A 64 5.101 1.909 -16.128 1.00 0.00 O ATOM 0 H GLU A 64 4.377 -1.183 -13.118 1.00 0.00 H new ATOM 0 HA GLU A 64 6.444 0.442 -11.968 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.162 1.085 -13.902 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.512 2.155 -13.581 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.098 0.332 -14.314 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.723 -0.685 -14.696 1.00 0.00 H new ATOM 964 N HIS A 65 3.379 1.026 -10.988 1.00 0.00 N ATOM 965 CA HIS A 65 2.576 1.811 -10.006 1.00 0.00 C ATOM 966 C HIS A 65 3.046 1.538 -8.573 1.00 0.00 C ATOM 967 O HIS A 65 2.872 2.357 -7.692 1.00 0.00 O ATOM 968 CB HIS A 65 1.102 1.419 -10.138 1.00 0.00 C ATOM 969 CG HIS A 65 0.276 2.250 -9.197 1.00 0.00 C ATOM 970 ND1 HIS A 65 0.229 3.635 -9.278 1.00 0.00 N ATOM 971 CD2 HIS A 65 -0.545 1.907 -8.151 1.00 0.00 C ATOM 972 CE1 HIS A 65 -0.594 4.070 -8.307 1.00 0.00 C ATOM 973 NE2 HIS A 65 -1.091 3.058 -7.593 1.00 0.00 N ATOM 0 H HIS A 65 2.871 0.279 -11.462 1.00 0.00 H new ATOM 0 HA HIS A 65 2.706 2.873 -10.217 1.00 0.00 H new ATOM 0 HB2 HIS A 65 0.765 1.569 -11.164 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.975 0.360 -9.912 1.00 0.00 H new ATOM 0 HD1 HIS A 65 0.728 4.217 -9.951 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.737 0.899 -7.814 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.824 5.110 -8.127 1.00 0.00 H new ATOM 982 N PHE A 66 3.614 0.392 -8.318 1.00 0.00 N ATOM 983 CA PHE A 66 4.060 0.078 -6.928 1.00 0.00 C ATOM 984 C PHE A 66 5.537 0.436 -6.733 1.00 0.00 C ATOM 985 O PHE A 66 6.113 0.161 -5.701 1.00 0.00 O ATOM 986 CB PHE A 66 3.860 -1.414 -6.661 1.00 0.00 C ATOM 987 CG PHE A 66 2.386 -1.733 -6.712 1.00 0.00 C ATOM 988 CD1 PHE A 66 1.819 -2.220 -7.894 1.00 0.00 C ATOM 989 CD2 PHE A 66 1.586 -1.537 -5.579 1.00 0.00 C ATOM 990 CE1 PHE A 66 0.451 -2.509 -7.946 1.00 0.00 C ATOM 991 CE2 PHE A 66 0.218 -1.828 -5.630 1.00 0.00 C ATOM 992 CZ PHE A 66 -0.349 -2.314 -6.815 1.00 0.00 C ATOM 0 H PHE A 66 3.789 -0.339 -9.007 1.00 0.00 H new ATOM 0 HA PHE A 66 3.467 0.668 -6.230 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.398 -2.004 -7.403 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.268 -1.679 -5.686 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.437 -2.373 -8.766 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.025 -1.161 -4.666 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.013 -2.883 -8.859 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.400 -1.678 -4.757 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.405 -2.538 -6.856 1.00 0.00 H new ATOM 1002 N ARG A 67 6.159 1.043 -7.706 1.00 0.00 N ATOM 1003 CA ARG A 67 7.598 1.401 -7.544 1.00 0.00 C ATOM 1004 C ARG A 67 7.774 2.335 -6.345 1.00 0.00 C ATOM 1005 O ARG A 67 8.713 2.206 -5.585 1.00 0.00 O ATOM 1006 CB ARG A 67 8.099 2.106 -8.807 1.00 0.00 C ATOM 1007 CG ARG A 67 8.111 1.125 -9.976 1.00 0.00 C ATOM 1008 CD ARG A 67 9.425 0.341 -9.976 1.00 0.00 C ATOM 1009 NE ARG A 67 10.557 1.272 -10.244 1.00 0.00 N ATOM 1010 CZ ARG A 67 11.786 0.876 -10.058 1.00 0.00 C ATOM 1011 NH1 ARG A 67 12.778 1.692 -10.290 1.00 0.00 N ATOM 1012 NH2 ARG A 67 12.024 -0.338 -9.640 1.00 0.00 N ATOM 0 H ARG A 67 5.739 1.305 -8.598 1.00 0.00 H new ATOM 0 HA ARG A 67 8.171 0.489 -7.379 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.457 2.955 -9.040 1.00 0.00 H new ATOM 0 HB3 ARG A 67 9.101 2.501 -8.641 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.267 0.440 -9.897 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.997 1.664 -10.917 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.566 -0.153 -9.015 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.395 -0.441 -10.735 1.00 0.00 H new ATOM 0 HE ARG A 67 10.371 2.219 -10.573 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.593 2.640 -10.617 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.739 1.381 -10.144 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.249 -0.976 -9.459 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.985 -0.648 -9.494 1.00 0.00 H new ATOM 1026 N SER A 68 6.887 3.275 -6.171 1.00 0.00 N ATOM 1027 CA SER A 68 7.016 4.219 -5.021 1.00 0.00 C ATOM 1028 C SER A 68 5.697 4.294 -4.249 1.00 0.00 C ATOM 1029 O SER A 68 4.625 4.218 -4.815 1.00 0.00 O ATOM 1030 CB SER A 68 7.378 5.609 -5.544 1.00 0.00 C ATOM 1031 OG SER A 68 8.605 5.537 -6.258 1.00 0.00 O ATOM 0 H SER A 68 6.079 3.432 -6.773 1.00 0.00 H new ATOM 0 HA SER A 68 7.799 3.860 -4.353 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.587 5.983 -6.194 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.467 6.310 -4.715 1.00 0.00 H new ATOM 0 HG SER A 68 9.293 5.138 -5.686 1.00 0.00 H new ATOM 1037 N ILE A 69 5.775 4.450 -2.955 1.00 0.00 N ATOM 1038 CA ILE A 69 4.543 4.541 -2.132 1.00 0.00 C ATOM 1039 C ILE A 69 3.749 5.790 -2.525 1.00 0.00 C ATOM 1040 O ILE A 69 2.534 5.793 -2.524 1.00 0.00 O ATOM 1041 CB ILE A 69 4.946 4.638 -0.662 1.00 0.00 C ATOM 1042 CG1 ILE A 69 5.766 3.414 -0.273 1.00 0.00 C ATOM 1043 CG2 ILE A 69 3.700 4.691 0.201 1.00 0.00 C ATOM 1044 CD1 ILE A 69 6.348 3.612 1.128 1.00 0.00 C ATOM 0 H ILE A 69 6.648 4.518 -2.432 1.00 0.00 H new ATOM 0 HA ILE A 69 3.923 3.660 -2.295 1.00 0.00 H new ATOM 0 HB ILE A 69 5.539 5.540 -0.512 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.140 2.522 -0.295 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.569 3.258 -0.993 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.987 4.760 1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.106 5.563 -0.071 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.111 3.788 0.045 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.934 2.736 1.406 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.988 4.494 1.135 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.537 3.747 1.843 1.00 0.00 H new ATOM 1056 N ARG A 70 4.430 6.856 -2.845 1.00 0.00 N ATOM 1057 CA ARG A 70 3.724 8.115 -3.221 1.00 0.00 C ATOM 1058 C ARG A 70 2.844 7.886 -4.453 1.00 0.00 C ATOM 1059 O ARG A 70 1.762 8.428 -4.559 1.00 0.00 O ATOM 1060 CB ARG A 70 4.757 9.200 -3.536 1.00 0.00 C ATOM 1061 CG ARG A 70 4.040 10.522 -3.816 1.00 0.00 C ATOM 1062 CD ARG A 70 5.070 11.599 -4.161 1.00 0.00 C ATOM 1063 NE ARG A 70 5.674 11.298 -5.490 1.00 0.00 N ATOM 1064 CZ ARG A 70 6.270 12.242 -6.166 1.00 0.00 C ATOM 1065 NH1 ARG A 70 6.794 11.979 -7.331 1.00 0.00 N ATOM 1066 NH2 ARG A 70 6.341 13.450 -5.676 1.00 0.00 N ATOM 0 H ARG A 70 5.448 6.910 -2.862 1.00 0.00 H new ATOM 0 HA ARG A 70 3.094 8.428 -2.388 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.444 9.317 -2.698 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.355 8.908 -4.400 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.337 10.399 -4.640 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.460 10.825 -2.944 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.595 12.580 -4.179 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.846 11.634 -3.396 1.00 0.00 H new ATOM 0 HE ARG A 70 5.621 10.353 -5.871 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.738 11.035 -7.714 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.260 12.717 -7.859 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.931 13.656 -4.765 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.807 14.188 -6.204 1.00 0.00 H new ATOM 1080 N SER A 71 3.296 7.100 -5.390 1.00 0.00 N ATOM 1081 CA SER A 71 2.477 6.859 -6.610 1.00 0.00 C ATOM 1082 C SER A 71 1.114 6.287 -6.210 1.00 0.00 C ATOM 1083 O SER A 71 0.089 6.689 -6.721 1.00 0.00 O ATOM 1084 CB SER A 71 3.203 5.865 -7.513 1.00 0.00 C ATOM 1085 OG SER A 71 4.521 6.334 -7.763 1.00 0.00 O ATOM 0 H SER A 71 4.193 6.616 -5.364 1.00 0.00 H new ATOM 0 HA SER A 71 2.329 7.799 -7.143 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.237 4.884 -7.040 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.662 5.747 -8.452 1.00 0.00 H new ATOM 0 HG SER A 71 4.991 5.697 -8.341 1.00 0.00 H new ATOM 1091 N ILE A 72 1.095 5.357 -5.296 1.00 0.00 N ATOM 1092 CA ILE A 72 -0.194 4.766 -4.859 1.00 0.00 C ATOM 1093 C ILE A 72 -1.011 5.816 -4.103 1.00 0.00 C ATOM 1094 O ILE A 72 -2.216 5.890 -4.226 1.00 0.00 O ATOM 1095 CB ILE A 72 0.090 3.580 -3.941 1.00 0.00 C ATOM 1096 CG1 ILE A 72 0.913 2.535 -4.698 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -1.227 2.961 -3.493 1.00 0.00 C ATOM 1098 CD1 ILE A 72 1.301 1.402 -3.747 1.00 0.00 C ATOM 0 H ILE A 72 1.922 4.981 -4.833 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.760 4.432 -5.729 1.00 0.00 H new ATOM 0 HB ILE A 72 0.648 3.920 -3.069 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.337 2.140 -5.535 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.808 2.995 -5.116 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.026 2.114 -2.837 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.814 3.705 -2.955 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.784 2.620 -4.366 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.887 0.658 -4.287 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.893 1.804 -2.925 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.399 0.935 -3.350 1.00 0.00 H new ATOM 1110 N ASP A 73 -0.358 6.620 -3.308 1.00 0.00 N ATOM 1111 CA ASP A 73 -1.088 7.658 -2.528 1.00 0.00 C ATOM 1112 C ASP A 73 -1.867 8.579 -3.469 1.00 0.00 C ATOM 1113 O ASP A 73 -2.984 8.963 -3.187 1.00 0.00 O ATOM 1114 CB ASP A 73 -0.082 8.484 -1.725 1.00 0.00 C ATOM 1115 CG ASP A 73 -0.827 9.360 -0.719 1.00 0.00 C ATOM 1116 OD1 ASP A 73 -0.180 10.170 -0.078 1.00 0.00 O ATOM 1117 OD2 ASP A 73 -2.032 9.204 -0.605 1.00 0.00 O ATOM 0 H ASP A 73 0.652 6.602 -3.165 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.790 7.168 -1.853 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.612 7.825 -1.204 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.511 9.106 -2.395 1.00 0.00 H new ATOM 1122 N ALA A 74 -1.292 8.943 -4.581 1.00 0.00 N ATOM 1123 CA ALA A 74 -2.015 9.843 -5.521 1.00 0.00 C ATOM 1124 C ALA A 74 -3.234 9.119 -6.089 1.00 0.00 C ATOM 1125 O ALA A 74 -4.320 9.662 -6.148 1.00 0.00 O ATOM 1126 CB ALA A 74 -1.082 10.249 -6.664 1.00 0.00 C ATOM 0 H ALA A 74 -0.359 8.658 -4.878 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.341 10.735 -4.986 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.613 10.908 -7.351 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.215 10.771 -6.258 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.752 9.358 -7.198 1.00 0.00 H new ATOM 1132 N PHE A 75 -3.068 7.896 -6.504 1.00 0.00 N ATOM 1133 CA PHE A 75 -4.223 7.140 -7.062 1.00 0.00 C ATOM 1134 C PHE A 75 -5.280 6.952 -5.973 1.00 0.00 C ATOM 1135 O PHE A 75 -6.458 7.155 -6.194 1.00 0.00 O ATOM 1136 CB PHE A 75 -3.752 5.773 -7.554 1.00 0.00 C ATOM 1137 CG PHE A 75 -4.907 5.047 -8.200 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -5.209 5.270 -9.548 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -5.676 4.150 -7.449 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -6.282 4.598 -10.146 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -6.748 3.476 -8.046 1.00 0.00 C ATOM 1142 CZ PHE A 75 -7.051 3.701 -9.395 1.00 0.00 C ATOM 0 H PHE A 75 -2.184 7.387 -6.481 1.00 0.00 H new ATOM 0 HA PHE A 75 -4.651 7.696 -7.896 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.938 5.892 -8.269 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.362 5.189 -6.721 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.614 5.961 -10.127 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.442 3.978 -6.409 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.516 4.772 -11.186 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.341 2.783 -7.467 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.878 3.182 -9.856 1.00 0.00 H new ATOM 1152 N VAL A 76 -4.867 6.563 -4.799 1.00 0.00 N ATOM 1153 CA VAL A 76 -5.836 6.357 -3.696 1.00 0.00 C ATOM 1154 C VAL A 76 -6.483 7.691 -3.312 1.00 0.00 C ATOM 1155 O VAL A 76 -7.680 7.779 -3.131 1.00 0.00 O ATOM 1156 CB VAL A 76 -5.093 5.780 -2.492 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -6.018 5.771 -1.282 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -4.651 4.348 -2.805 1.00 0.00 C ATOM 0 H VAL A 76 -3.893 6.379 -4.558 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.617 5.668 -4.017 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.218 6.393 -2.277 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.489 5.359 -0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.335 6.790 -1.059 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.893 5.157 -1.497 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.121 3.935 -1.947 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.527 3.736 -3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.990 4.352 -3.672 1.00 0.00 H new ATOM 1168 N VAL A 77 -5.704 8.732 -3.191 1.00 0.00 N ATOM 1169 CA VAL A 77 -6.278 10.050 -2.821 1.00 0.00 C ATOM 1170 C VAL A 77 -7.234 10.525 -3.915 1.00 0.00 C ATOM 1171 O VAL A 77 -8.273 11.092 -3.644 1.00 0.00 O ATOM 1172 CB VAL A 77 -5.144 11.060 -2.663 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -5.731 12.462 -2.548 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -4.346 10.739 -1.398 1.00 0.00 C ATOM 0 H VAL A 77 -4.694 8.723 -3.333 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.826 9.958 -1.884 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.486 11.007 -3.530 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.924 13.186 -2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.302 12.692 -3.447 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.387 12.512 -1.679 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.537 11.460 -1.286 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.003 10.793 -0.530 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.929 9.735 -1.476 1.00 0.00 H new ATOM 1184 N GLY A 78 -6.884 10.304 -5.149 1.00 0.00 N ATOM 1185 CA GLY A 78 -7.762 10.750 -6.266 1.00 0.00 C ATOM 1186 C GLY A 78 -9.153 10.124 -6.129 1.00 0.00 C ATOM 1187 O GLY A 78 -10.144 10.727 -6.491 1.00 0.00 O ATOM 0 H GLY A 78 -6.026 9.833 -5.434 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.843 11.837 -6.263 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.320 10.466 -7.221 1.00 0.00 H new ATOM 1191 N ALA A 79 -9.239 8.921 -5.624 1.00 0.00 N ATOM 1192 CA ALA A 79 -10.575 8.271 -5.488 1.00 0.00 C ATOM 1193 C ALA A 79 -11.036 8.288 -4.029 1.00 0.00 C ATOM 1194 O ALA A 79 -12.154 8.658 -3.728 1.00 0.00 O ATOM 1195 CB ALA A 79 -10.483 6.822 -5.970 1.00 0.00 C ATOM 0 H ALA A 79 -8.447 8.364 -5.302 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.296 8.823 -6.091 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.457 6.343 -5.872 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.174 6.805 -7.015 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.752 6.284 -5.367 1.00 0.00 H new ATOM 1201 N THR A 80 -10.193 7.888 -3.122 1.00 0.00 N ATOM 1202 CA THR A 80 -10.594 7.880 -1.686 1.00 0.00 C ATOM 1203 C THR A 80 -9.351 7.783 -0.801 1.00 0.00 C ATOM 1204 O THR A 80 -8.427 7.053 -1.095 1.00 0.00 O ATOM 1205 CB THR A 80 -11.503 6.681 -1.418 1.00 0.00 C ATOM 1206 OG1 THR A 80 -12.609 6.717 -2.309 1.00 0.00 O ATOM 1207 CG2 THR A 80 -12.004 6.730 0.025 1.00 0.00 C ATOM 0 H THR A 80 -9.244 7.566 -3.310 1.00 0.00 H new ATOM 0 HA THR A 80 -11.127 8.803 -1.457 1.00 0.00 H new ATOM 0 HB THR A 80 -10.943 5.759 -1.573 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.798 7.646 -2.559 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.652 5.874 0.214 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.154 6.699 0.707 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.564 7.651 0.185 1.00 0.00 H new ATOM 1215 N THR A 81 -9.326 8.507 0.285 1.00 0.00 N ATOM 1216 CA THR A 81 -8.148 8.457 1.194 1.00 0.00 C ATOM 1217 C THR A 81 -8.596 7.970 2.579 1.00 0.00 C ATOM 1218 O THR A 81 -8.964 8.756 3.429 1.00 0.00 O ATOM 1219 CB THR A 81 -7.552 9.861 1.312 1.00 0.00 C ATOM 1220 OG1 THR A 81 -6.404 9.819 2.148 1.00 0.00 O ATOM 1221 CG2 THR A 81 -8.591 10.811 1.910 1.00 0.00 C ATOM 0 H THR A 81 -10.074 9.133 0.582 1.00 0.00 H new ATOM 0 HA THR A 81 -7.399 7.772 0.796 1.00 0.00 H new ATOM 0 HB THR A 81 -7.266 10.219 0.323 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.771 10.514 1.870 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.165 11.811 1.993 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.469 10.843 1.264 1.00 0.00 H new ATOM 0 HG23 THR A 81 -8.881 10.457 2.899 1.00 0.00 H new