USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=10 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 2 GLN : amide:sc= 0.115 K(o=0.3,f=-3.7!) USER MOD Set 1.2: A 81 THR OG1 : rot 82:sc= 0.181 USER MOD Set 2.1: A 65 HIS : no HE2:sc= -1.72 K(o=-1.7,f=-2.7!) USER MOD Set 2.2: A 71 SER OG : rot 140:sc= 0 USER MOD Single : A 1 MET CE :methyl -113:sc= -0.717 (180deg=-4.55!) USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.988 (180deg=-0.988) USER MOD Single : A 3 HIS : no HE2:sc= -3.27! C(o=-3.3!,f=-5.8!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.0823 X(o=-0.082,f=-0.0021) USER MOD Single : A 33 ASN : amide:sc= -1.18 K(o=-1.2,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.166 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.421 8.978 7.556 1.00 0.00 N ATOM 2 CA MET A 1 -2.615 9.677 7.006 1.00 0.00 C ATOM 3 C MET A 1 -3.881 9.003 7.536 1.00 0.00 C ATOM 4 O MET A 1 -3.929 8.554 8.664 1.00 0.00 O ATOM 5 CB MET A 1 -2.593 9.594 5.478 1.00 0.00 C ATOM 6 CG MET A 1 -1.334 10.282 4.951 1.00 0.00 C ATOM 7 SD MET A 1 -1.380 10.329 3.143 1.00 0.00 S ATOM 8 CE MET A 1 0.259 11.055 2.896 1.00 0.00 C ATOM 0 H1 MET A 1 -0.557 9.433 7.198 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.436 9.031 8.595 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.435 7.981 7.260 1.00 0.00 H new ATOM 0 HA MET A 1 -2.602 10.723 7.312 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.612 8.552 5.159 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.482 10.070 5.064 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.267 11.294 5.350 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.446 9.747 5.289 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.154 12.057 2.481 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.780 11.111 3.852 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.831 10.435 2.206 1.00 0.00 H new ATOM 20 N GLN A 2 -4.906 8.921 6.733 1.00 0.00 N ATOM 21 CA GLN A 2 -6.160 8.267 7.199 1.00 0.00 C ATOM 22 C GLN A 2 -5.847 6.827 7.607 1.00 0.00 C ATOM 23 O GLN A 2 -6.428 6.288 8.528 1.00 0.00 O ATOM 24 CB GLN A 2 -7.192 8.265 6.068 1.00 0.00 C ATOM 25 CG GLN A 2 -7.576 9.705 5.723 1.00 0.00 C ATOM 26 CD GLN A 2 -8.604 9.703 4.590 1.00 0.00 C ATOM 27 OE1 GLN A 2 -8.815 8.694 3.948 1.00 0.00 O ATOM 28 NE2 GLN A 2 -9.259 10.798 4.317 1.00 0.00 N ATOM 0 H GLN A 2 -4.929 9.277 5.778 1.00 0.00 H new ATOM 0 HA GLN A 2 -6.565 8.814 8.051 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -6.783 7.766 5.189 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -8.077 7.704 6.370 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -7.988 10.203 6.601 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -6.691 10.267 5.424 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -9.082 11.646 4.856 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -9.948 10.806 3.565 1.00 0.00 H new ATOM 37 N HIS A 3 -4.926 6.203 6.926 1.00 0.00 N ATOM 38 CA HIS A 3 -4.560 4.799 7.264 1.00 0.00 C ATOM 39 C HIS A 3 -3.263 4.434 6.538 1.00 0.00 C ATOM 40 O HIS A 3 -3.008 3.285 6.238 1.00 0.00 O ATOM 41 CB HIS A 3 -5.681 3.858 6.814 1.00 0.00 C ATOM 42 CG HIS A 3 -6.058 2.948 7.950 1.00 0.00 C ATOM 43 ND1 HIS A 3 -6.418 3.434 9.200 1.00 0.00 N ATOM 44 CD2 HIS A 3 -6.140 1.580 8.041 1.00 0.00 C ATOM 45 CE1 HIS A 3 -6.696 2.374 9.982 1.00 0.00 C ATOM 46 NE2 HIS A 3 -6.542 1.225 9.324 1.00 0.00 N ATOM 0 H HIS A 3 -4.408 6.608 6.146 1.00 0.00 H new ATOM 0 HA HIS A 3 -4.419 4.702 8.341 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -6.548 4.435 6.493 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.354 3.270 5.956 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -6.464 4.415 9.475 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -5.926 0.888 7.240 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -7.005 2.446 11.014 1.00 0.00 H new ATOM 55 N ALA A 4 -2.446 5.411 6.249 1.00 0.00 N ATOM 56 CA ALA A 4 -1.168 5.133 5.535 1.00 0.00 C ATOM 57 C ALA A 4 -0.281 4.221 6.385 1.00 0.00 C ATOM 58 O ALA A 4 0.432 3.382 5.872 1.00 0.00 O ATOM 59 CB ALA A 4 -0.436 6.451 5.275 1.00 0.00 C ATOM 0 H ALA A 4 -2.610 6.392 6.477 1.00 0.00 H new ATOM 0 HA ALA A 4 -1.387 4.638 4.589 1.00 0.00 H new ATOM 0 HB1 ALA A 4 0.500 6.251 4.753 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -1.062 7.100 4.663 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -0.223 6.943 6.224 1.00 0.00 H new ATOM 65 N SER A 5 -0.309 4.379 7.680 1.00 0.00 N ATOM 66 CA SER A 5 0.544 3.520 8.549 1.00 0.00 C ATOM 67 C SER A 5 0.183 2.050 8.336 1.00 0.00 C ATOM 68 O SER A 5 1.043 1.194 8.269 1.00 0.00 O ATOM 69 CB SER A 5 0.319 3.892 10.015 1.00 0.00 C ATOM 70 OG SER A 5 1.256 3.193 10.825 1.00 0.00 O ATOM 0 H SER A 5 -0.883 5.063 8.172 1.00 0.00 H new ATOM 0 HA SER A 5 1.591 3.676 8.290 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.434 4.967 10.151 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.698 3.639 10.315 1.00 0.00 H new ATOM 0 HG SER A 5 1.116 3.430 11.766 1.00 0.00 H new ATOM 76 N VAL A 6 -1.080 1.750 8.224 1.00 0.00 N ATOM 77 CA VAL A 6 -1.488 0.334 8.009 1.00 0.00 C ATOM 78 C VAL A 6 -1.000 -0.127 6.639 1.00 0.00 C ATOM 79 O VAL A 6 -0.592 -1.253 6.464 1.00 0.00 O ATOM 80 CB VAL A 6 -3.010 0.219 8.073 1.00 0.00 C ATOM 81 CG1 VAL A 6 -3.433 -1.194 7.667 1.00 0.00 C ATOM 82 CG2 VAL A 6 -3.483 0.503 9.501 1.00 0.00 C ATOM 0 H VAL A 6 -1.846 2.422 8.272 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.049 -0.292 8.786 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.458 0.942 7.391 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.519 -1.276 7.713 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.096 -1.397 6.650 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.986 -1.918 8.348 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.569 0.421 9.548 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.035 -0.220 10.183 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.182 1.510 9.790 1.00 0.00 H new ATOM 92 N ILE A 7 -1.043 0.735 5.664 1.00 0.00 N ATOM 93 CA ILE A 7 -0.582 0.342 4.305 1.00 0.00 C ATOM 94 C ILE A 7 0.885 -0.085 4.365 1.00 0.00 C ATOM 95 O ILE A 7 1.253 -1.140 3.890 1.00 0.00 O ATOM 96 CB ILE A 7 -0.731 1.534 3.361 1.00 0.00 C ATOM 97 CG1 ILE A 7 -2.205 1.939 3.289 1.00 0.00 C ATOM 98 CG2 ILE A 7 -0.239 1.146 1.965 1.00 0.00 C ATOM 99 CD1 ILE A 7 -2.342 3.219 2.466 1.00 0.00 C ATOM 0 H ILE A 7 -1.377 1.695 5.749 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.183 -0.491 3.941 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.139 2.371 3.732 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.791 1.139 2.837 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.600 2.095 4.293 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.346 1.997 1.292 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.810 0.854 2.017 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.830 0.311 1.590 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.392 3.508 2.414 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.769 4.017 2.937 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.963 3.046 1.459 1.00 0.00 H new ATOM 111 N ALA A 8 1.725 0.720 4.955 1.00 0.00 N ATOM 112 CA ALA A 8 3.165 0.348 5.054 1.00 0.00 C ATOM 113 C ALA A 8 3.294 -0.908 5.911 1.00 0.00 C ATOM 114 O ALA A 8 3.975 -1.850 5.561 1.00 0.00 O ATOM 115 CB ALA A 8 3.945 1.491 5.708 1.00 0.00 C ATOM 0 H ALA A 8 1.478 1.617 5.372 1.00 0.00 H new ATOM 0 HA ALA A 8 3.567 0.161 4.058 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.998 1.218 5.780 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.844 2.393 5.104 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.549 1.677 6.706 1.00 0.00 H new ATOM 121 N GLN A 9 2.635 -0.921 7.032 1.00 0.00 N ATOM 122 CA GLN A 9 2.695 -2.105 7.932 1.00 0.00 C ATOM 123 C GLN A 9 2.082 -3.319 7.234 1.00 0.00 C ATOM 124 O GLN A 9 2.557 -4.429 7.357 1.00 0.00 O ATOM 125 CB GLN A 9 1.904 -1.798 9.205 1.00 0.00 C ATOM 126 CG GLN A 9 2.012 -2.974 10.173 1.00 0.00 C ATOM 127 CD GLN A 9 0.610 -3.428 10.579 1.00 0.00 C ATOM 128 OE1 GLN A 9 0.166 -3.163 11.679 1.00 0.00 O ATOM 129 NE2 GLN A 9 -0.112 -4.104 9.728 1.00 0.00 N ATOM 0 H GLN A 9 2.051 -0.155 7.368 1.00 0.00 H new ATOM 0 HA GLN A 9 3.734 -2.324 8.180 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.288 -0.892 9.674 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.859 -1.611 8.959 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.551 -3.797 9.704 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.581 -2.682 11.055 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.262 -4.326 8.805 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -1.050 -4.411 9.986 1.00 0.00 H new ATOM 138 N PHE A 10 1.020 -3.117 6.517 1.00 0.00 N ATOM 139 CA PHE A 10 0.356 -4.254 5.825 1.00 0.00 C ATOM 140 C PHE A 10 1.286 -4.853 4.768 1.00 0.00 C ATOM 141 O PHE A 10 1.496 -6.048 4.718 1.00 0.00 O ATOM 142 CB PHE A 10 -0.921 -3.744 5.152 1.00 0.00 C ATOM 143 CG PHE A 10 -1.683 -4.901 4.558 1.00 0.00 C ATOM 144 CD1 PHE A 10 -2.557 -5.645 5.358 1.00 0.00 C ATOM 145 CD2 PHE A 10 -1.519 -5.227 3.208 1.00 0.00 C ATOM 146 CE1 PHE A 10 -3.269 -6.716 4.807 1.00 0.00 C ATOM 147 CE2 PHE A 10 -2.231 -6.298 2.656 1.00 0.00 C ATOM 148 CZ PHE A 10 -3.106 -7.042 3.456 1.00 0.00 C ATOM 0 H PHE A 10 0.578 -2.208 6.378 1.00 0.00 H new ATOM 0 HA PHE A 10 0.115 -5.028 6.554 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.543 -3.222 5.880 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.670 -3.024 4.373 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.682 -5.393 6.401 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.843 -4.653 2.592 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.944 -7.291 5.424 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.105 -6.550 1.613 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.656 -7.868 3.030 1.00 0.00 H new ATOM 158 N VAL A 11 1.830 -4.036 3.913 1.00 0.00 N ATOM 159 CA VAL A 11 2.728 -4.558 2.845 1.00 0.00 C ATOM 160 C VAL A 11 4.095 -4.957 3.417 1.00 0.00 C ATOM 161 O VAL A 11 4.627 -5.999 3.093 1.00 0.00 O ATOM 162 CB VAL A 11 2.921 -3.473 1.787 1.00 0.00 C ATOM 163 CG1 VAL A 11 1.555 -2.997 1.288 1.00 0.00 C ATOM 164 CG2 VAL A 11 3.681 -2.292 2.397 1.00 0.00 C ATOM 0 H VAL A 11 1.692 -3.025 3.907 1.00 0.00 H new ATOM 0 HA VAL A 11 2.270 -5.444 2.406 1.00 0.00 H new ATOM 0 HB VAL A 11 3.492 -3.879 0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.693 -2.223 0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.014 -3.837 0.852 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.984 -2.592 2.123 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.818 -1.518 1.641 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.112 -1.886 3.233 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.655 -2.630 2.751 1.00 0.00 H new ATOM 174 N VAL A 12 4.675 -4.132 4.246 1.00 0.00 N ATOM 175 CA VAL A 12 6.018 -4.457 4.814 1.00 0.00 C ATOM 176 C VAL A 12 5.969 -5.763 5.607 1.00 0.00 C ATOM 177 O VAL A 12 6.886 -6.559 5.562 1.00 0.00 O ATOM 178 CB VAL A 12 6.466 -3.324 5.732 1.00 0.00 C ATOM 179 CG1 VAL A 12 7.726 -3.746 6.489 1.00 0.00 C ATOM 180 CG2 VAL A 12 6.770 -2.079 4.895 1.00 0.00 C ATOM 0 H VAL A 12 4.277 -3.245 4.556 1.00 0.00 H new ATOM 0 HA VAL A 12 6.725 -4.575 3.993 1.00 0.00 H new ATOM 0 HB VAL A 12 5.672 -3.100 6.444 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.045 -2.936 7.145 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.512 -4.633 7.086 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.520 -3.971 5.777 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.090 -1.269 5.551 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.564 -2.304 4.183 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.873 -1.776 4.355 1.00 0.00 H new ATOM 190 N GLU A 13 4.919 -5.990 6.339 1.00 0.00 N ATOM 191 CA GLU A 13 4.834 -7.244 7.136 1.00 0.00 C ATOM 192 C GLU A 13 4.821 -8.461 6.213 1.00 0.00 C ATOM 193 O GLU A 13 5.333 -9.508 6.550 1.00 0.00 O ATOM 194 CB GLU A 13 3.569 -7.226 7.989 1.00 0.00 C ATOM 195 CG GLU A 13 3.782 -6.316 9.197 1.00 0.00 C ATOM 196 CD GLU A 13 2.516 -6.301 10.055 1.00 0.00 C ATOM 197 OE1 GLU A 13 1.517 -6.844 9.611 1.00 0.00 O ATOM 198 OE2 GLU A 13 2.566 -5.747 11.141 1.00 0.00 O ATOM 0 H GLU A 13 4.117 -5.365 6.421 1.00 0.00 H new ATOM 0 HA GLU A 13 5.707 -7.308 7.786 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.724 -6.872 7.398 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.326 -8.236 8.319 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.629 -6.668 9.786 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.022 -5.305 8.866 1.00 0.00 H new ATOM 205 N GLU A 14 4.243 -8.340 5.054 1.00 0.00 N ATOM 206 CA GLU A 14 4.208 -9.504 4.126 1.00 0.00 C ATOM 207 C GLU A 14 5.628 -9.840 3.665 1.00 0.00 C ATOM 208 O GLU A 14 5.956 -10.985 3.425 1.00 0.00 O ATOM 209 CB GLU A 14 3.343 -9.167 2.910 1.00 0.00 C ATOM 210 CG GLU A 14 1.883 -9.024 3.345 1.00 0.00 C ATOM 211 CD GLU A 14 1.011 -8.732 2.123 1.00 0.00 C ATOM 212 OE1 GLU A 14 1.570 -8.491 1.065 1.00 0.00 O ATOM 213 OE2 GLU A 14 -0.200 -8.756 2.265 1.00 0.00 O ATOM 0 H GLU A 14 3.795 -7.491 4.709 1.00 0.00 H new ATOM 0 HA GLU A 14 3.784 -10.363 4.645 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.689 -8.241 2.450 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.434 -9.950 2.157 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.547 -9.938 3.834 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.787 -8.219 4.074 1.00 0.00 H new ATOM 220 N PHE A 15 6.471 -8.853 3.525 1.00 0.00 N ATOM 221 CA PHE A 15 7.861 -9.130 3.065 1.00 0.00 C ATOM 222 C PHE A 15 8.806 -9.260 4.263 1.00 0.00 C ATOM 223 O PHE A 15 9.469 -10.265 4.431 1.00 0.00 O ATOM 224 CB PHE A 15 8.340 -7.987 2.168 1.00 0.00 C ATOM 225 CG PHE A 15 7.317 -7.741 1.089 1.00 0.00 C ATOM 226 CD1 PHE A 15 7.179 -8.643 0.029 1.00 0.00 C ATOM 227 CD2 PHE A 15 6.495 -6.612 1.160 1.00 0.00 C ATOM 228 CE1 PHE A 15 6.219 -8.413 -0.964 1.00 0.00 C ATOM 229 CE2 PHE A 15 5.535 -6.382 0.171 1.00 0.00 C ATOM 230 CZ PHE A 15 5.396 -7.282 -0.893 1.00 0.00 C ATOM 0 H PHE A 15 6.259 -7.872 3.708 1.00 0.00 H new ATOM 0 HA PHE A 15 7.864 -10.067 2.508 1.00 0.00 H new ATOM 0 HB2 PHE A 15 8.488 -7.083 2.759 1.00 0.00 H new ATOM 0 HB3 PHE A 15 9.303 -8.237 1.723 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.812 -9.516 -0.024 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.602 -5.917 1.980 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.113 -9.107 -1.784 1.00 0.00 H new ATOM 0 HE2 PHE A 15 4.900 -5.510 0.227 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.655 -7.104 -1.658 1.00 0.00 H new ATOM 240 N LEU A 16 8.896 -8.242 5.084 1.00 0.00 N ATOM 241 CA LEU A 16 9.826 -8.305 6.251 1.00 0.00 C ATOM 242 C LEU A 16 9.114 -7.873 7.545 1.00 0.00 C ATOM 243 O LEU A 16 9.213 -6.741 7.974 1.00 0.00 O ATOM 244 CB LEU A 16 11.018 -7.382 5.977 1.00 0.00 C ATOM 245 CG LEU A 16 12.320 -8.136 6.254 1.00 0.00 C ATOM 246 CD1 LEU A 16 13.512 -7.236 5.923 1.00 0.00 C ATOM 247 CD2 LEU A 16 12.376 -8.530 7.731 1.00 0.00 C ATOM 0 H LEU A 16 8.367 -7.374 4.996 1.00 0.00 H new ATOM 0 HA LEU A 16 10.167 -9.332 6.383 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.996 -7.040 4.942 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.957 -6.495 6.608 1.00 0.00 H new ATOM 0 HG LEU A 16 12.358 -9.033 5.635 1.00 0.00 H new ATOM 0 HD11 LEU A 16 14.440 -7.773 6.120 1.00 0.00 H new ATOM 0 HD12 LEU A 16 13.473 -6.953 4.871 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.474 -6.339 6.541 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.303 -9.067 7.929 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.337 -7.633 8.349 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.527 -9.171 7.969 1.00 0.00 H new ATOM 259 N PRO A 17 8.414 -8.779 8.173 1.00 0.00 N ATOM 260 CA PRO A 17 7.698 -8.503 9.444 1.00 0.00 C ATOM 261 C PRO A 17 8.614 -8.642 10.664 1.00 0.00 C ATOM 262 O PRO A 17 8.272 -8.233 11.756 1.00 0.00 O ATOM 263 CB PRO A 17 6.598 -9.560 9.480 1.00 0.00 C ATOM 264 CG PRO A 17 7.071 -10.685 8.613 1.00 0.00 C ATOM 265 CD PRO A 17 8.222 -10.166 7.739 1.00 0.00 C ATOM 0 HA PRO A 17 7.319 -7.482 9.482 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.420 -9.902 10.499 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.656 -9.154 9.111 1.00 0.00 H new ATOM 0 HG2 PRO A 17 7.406 -11.522 9.226 1.00 0.00 H new ATOM 0 HG3 PRO A 17 6.256 -11.053 7.989 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.127 -10.756 7.883 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.972 -10.220 6.680 1.00 0.00 H new ATOM 273 N ASP A 18 9.778 -9.212 10.490 1.00 0.00 N ATOM 274 CA ASP A 18 10.706 -9.368 11.642 1.00 0.00 C ATOM 275 C ASP A 18 11.351 -8.016 11.937 1.00 0.00 C ATOM 276 O ASP A 18 12.072 -7.850 12.900 1.00 0.00 O ATOM 277 CB ASP A 18 11.785 -10.386 11.286 1.00 0.00 C ATOM 278 CG ASP A 18 11.156 -11.774 11.151 1.00 0.00 C ATOM 279 OD1 ASP A 18 10.013 -11.925 11.551 1.00 0.00 O ATOM 280 OD2 ASP A 18 11.827 -12.661 10.652 1.00 0.00 O ATOM 0 H ASP A 18 10.123 -9.574 9.601 1.00 0.00 H new ATOM 0 HA ASP A 18 10.161 -9.716 12.519 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.272 -10.104 10.352 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.556 -10.398 12.056 1.00 0.00 H new ATOM 285 N VAL A 19 11.070 -7.046 11.115 1.00 0.00 N ATOM 286 CA VAL A 19 11.626 -5.683 11.327 1.00 0.00 C ATOM 287 C VAL A 19 10.465 -4.748 11.652 1.00 0.00 C ATOM 288 O VAL A 19 9.392 -4.875 11.097 1.00 0.00 O ATOM 289 CB VAL A 19 12.332 -5.209 10.055 1.00 0.00 C ATOM 290 CG1 VAL A 19 12.969 -3.841 10.305 1.00 0.00 C ATOM 291 CG2 VAL A 19 13.421 -6.214 9.672 1.00 0.00 C ATOM 0 H VAL A 19 10.471 -7.141 10.295 1.00 0.00 H new ATOM 0 HA VAL A 19 12.348 -5.690 12.143 1.00 0.00 H new ATOM 0 HB VAL A 19 11.607 -5.131 9.245 1.00 0.00 H new ATOM 0 HG11 VAL A 19 13.472 -3.503 9.399 1.00 0.00 H new ATOM 0 HG12 VAL A 19 12.195 -3.124 10.579 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.694 -3.920 11.115 1.00 0.00 H new ATOM 0 HG21 VAL A 19 13.925 -5.877 8.766 1.00 0.00 H new ATOM 0 HG22 VAL A 19 14.146 -6.292 10.482 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.969 -7.190 9.495 1.00 0.00 H new ATOM 301 N ALA A 20 10.647 -3.819 12.546 1.00 0.00 N ATOM 302 CA ALA A 20 9.516 -2.913 12.878 1.00 0.00 C ATOM 303 C ALA A 20 9.115 -2.142 11.609 1.00 0.00 C ATOM 304 O ALA A 20 9.895 -1.370 11.087 1.00 0.00 O ATOM 305 CB ALA A 20 9.965 -1.919 13.951 1.00 0.00 C ATOM 0 H ALA A 20 11.515 -3.649 13.054 1.00 0.00 H new ATOM 0 HA ALA A 20 8.669 -3.491 13.248 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.139 -1.252 14.198 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.272 -2.462 14.845 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.804 -1.333 13.576 1.00 0.00 H new ATOM 311 N PRO A 21 7.915 -2.341 11.103 1.00 0.00 N ATOM 312 CA PRO A 21 7.459 -1.633 9.878 1.00 0.00 C ATOM 313 C PRO A 21 7.375 -0.120 10.094 1.00 0.00 C ATOM 314 O PRO A 21 7.587 0.661 9.187 1.00 0.00 O ATOM 315 CB PRO A 21 6.080 -2.219 9.557 1.00 0.00 C ATOM 316 CG PRO A 21 5.700 -3.129 10.682 1.00 0.00 C ATOM 317 CD PRO A 21 6.884 -3.243 11.642 1.00 0.00 C ATOM 0 HA PRO A 21 8.163 -1.774 9.058 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.343 -1.424 9.443 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.107 -2.766 8.615 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.826 -2.739 11.204 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.429 -4.112 10.298 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.599 -2.953 12.653 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.249 -4.269 11.695 1.00 0.00 H new ATOM 325 N ALA A 22 7.078 0.297 11.293 1.00 0.00 N ATOM 326 CA ALA A 22 6.993 1.757 11.579 1.00 0.00 C ATOM 327 C ALA A 22 8.404 2.347 11.590 1.00 0.00 C ATOM 328 O ALA A 22 8.590 3.547 11.541 1.00 0.00 O ATOM 329 CB ALA A 22 6.336 1.974 12.943 1.00 0.00 C ATOM 0 H ALA A 22 6.890 -0.312 12.090 1.00 0.00 H new ATOM 0 HA ALA A 22 6.396 2.248 10.811 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.274 3.042 13.151 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.333 1.547 12.936 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.932 1.488 13.715 1.00 0.00 H new ATOM 335 N ASP A 23 9.400 1.507 11.657 1.00 0.00 N ATOM 336 CA ASP A 23 10.804 2.002 11.676 1.00 0.00 C ATOM 337 C ASP A 23 11.313 2.129 10.242 1.00 0.00 C ATOM 338 O ASP A 23 12.476 2.389 10.004 1.00 0.00 O ATOM 339 CB ASP A 23 11.685 1.019 12.449 1.00 0.00 C ATOM 340 CG ASP A 23 11.289 1.030 13.926 1.00 0.00 C ATOM 341 OD1 ASP A 23 10.548 1.919 14.313 1.00 0.00 O ATOM 342 OD2 ASP A 23 11.732 0.150 14.645 1.00 0.00 O ATOM 0 H ASP A 23 9.300 0.493 11.700 1.00 0.00 H new ATOM 0 HA ASP A 23 10.841 2.976 12.164 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.574 0.015 12.039 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.735 1.293 12.341 1.00 0.00 H new ATOM 347 N VAL A 24 10.447 1.954 9.285 1.00 0.00 N ATOM 348 CA VAL A 24 10.874 2.072 7.866 1.00 0.00 C ATOM 349 C VAL A 24 10.635 3.507 7.404 1.00 0.00 C ATOM 350 O VAL A 24 9.623 4.105 7.711 1.00 0.00 O ATOM 351 CB VAL A 24 10.056 1.111 7.001 1.00 0.00 C ATOM 352 CG1 VAL A 24 10.550 1.178 5.555 1.00 0.00 C ATOM 353 CG2 VAL A 24 10.222 -0.316 7.529 1.00 0.00 C ATOM 0 H VAL A 24 9.461 1.734 9.425 1.00 0.00 H new ATOM 0 HA VAL A 24 11.931 1.821 7.773 1.00 0.00 H new ATOM 0 HB VAL A 24 9.004 1.395 7.039 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.967 0.493 4.939 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.434 2.194 5.178 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.602 0.895 5.516 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.640 -1.002 6.914 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.274 -0.598 7.490 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.871 -0.366 8.560 1.00 0.00 H new ATOM 363 N ASP A 25 11.559 4.072 6.681 1.00 0.00 N ATOM 364 CA ASP A 25 11.375 5.474 6.223 1.00 0.00 C ATOM 365 C ASP A 25 10.197 5.539 5.252 1.00 0.00 C ATOM 366 O ASP A 25 10.364 5.483 4.050 1.00 0.00 O ATOM 367 CB ASP A 25 12.647 5.949 5.516 1.00 0.00 C ATOM 368 CG ASP A 25 12.557 7.455 5.264 1.00 0.00 C ATOM 369 OD1 ASP A 25 11.697 8.083 5.858 1.00 0.00 O ATOM 370 OD2 ASP A 25 13.352 7.954 4.485 1.00 0.00 O ATOM 0 H ASP A 25 12.429 3.626 6.389 1.00 0.00 H new ATOM 0 HA ASP A 25 11.175 6.116 7.081 1.00 0.00 H new ATOM 0 HB2 ASP A 25 13.521 5.723 6.126 1.00 0.00 H new ATOM 0 HB3 ASP A 25 12.771 5.418 4.572 1.00 0.00 H new ATOM 375 N VAL A 26 9.002 5.659 5.766 1.00 0.00 N ATOM 376 CA VAL A 26 7.812 5.730 4.871 1.00 0.00 C ATOM 377 C VAL A 26 7.907 6.982 3.998 1.00 0.00 C ATOM 378 O VAL A 26 7.015 7.286 3.231 1.00 0.00 O ATOM 379 CB VAL A 26 6.543 5.797 5.723 1.00 0.00 C ATOM 380 CG1 VAL A 26 6.545 4.649 6.734 1.00 0.00 C ATOM 381 CG2 VAL A 26 6.505 7.133 6.468 1.00 0.00 C ATOM 0 H VAL A 26 8.799 5.711 6.764 1.00 0.00 H new ATOM 0 HA VAL A 26 7.778 4.846 4.235 1.00 0.00 H new ATOM 0 HB VAL A 26 5.667 5.711 5.080 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.641 4.697 7.341 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.576 3.697 6.204 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.420 4.734 7.379 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.602 7.185 7.076 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.381 7.216 7.111 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.505 7.951 5.748 1.00 0.00 H new ATOM 391 N ASP A 27 8.991 7.704 4.097 1.00 0.00 N ATOM 392 CA ASP A 27 9.152 8.926 3.259 1.00 0.00 C ATOM 393 C ASP A 27 10.026 8.578 2.054 1.00 0.00 C ATOM 394 O ASP A 27 10.407 9.430 1.276 1.00 0.00 O ATOM 395 CB ASP A 27 9.824 10.030 4.079 1.00 0.00 C ATOM 396 CG ASP A 27 8.894 10.460 5.216 1.00 0.00 C ATOM 397 OD1 ASP A 27 7.729 10.100 5.170 1.00 0.00 O ATOM 398 OD2 ASP A 27 9.363 11.141 6.113 1.00 0.00 O ATOM 0 H ASP A 27 9.771 7.500 4.722 1.00 0.00 H new ATOM 0 HA ASP A 27 8.176 9.279 2.924 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.770 9.672 4.485 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.054 10.883 3.441 1.00 0.00 H new ATOM 403 N LEU A 28 10.343 7.322 1.901 1.00 0.00 N ATOM 404 CA LEU A 28 11.191 6.889 0.757 1.00 0.00 C ATOM 405 C LEU A 28 10.297 6.406 -0.378 1.00 0.00 C ATOM 406 O LEU A 28 9.329 5.705 -0.161 1.00 0.00 O ATOM 407 CB LEU A 28 12.091 5.735 1.205 1.00 0.00 C ATOM 408 CG LEU A 28 13.066 5.363 0.083 1.00 0.00 C ATOM 409 CD1 LEU A 28 14.349 6.182 0.229 1.00 0.00 C ATOM 410 CD2 LEU A 28 13.394 3.871 0.172 1.00 0.00 C ATOM 0 H LEU A 28 10.048 6.571 2.525 1.00 0.00 H new ATOM 0 HA LEU A 28 11.801 7.726 0.418 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.645 6.021 2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.482 4.871 1.470 1.00 0.00 H new ATOM 0 HG LEU A 28 12.611 5.578 -0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.042 5.917 -0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.112 7.244 0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.809 5.969 1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.088 3.603 -0.625 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.851 3.656 1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.478 3.290 0.066 1.00 0.00 H new ATOM 422 N ASP A 29 10.616 6.759 -1.590 1.00 0.00 N ATOM 423 CA ASP A 29 9.779 6.292 -2.721 1.00 0.00 C ATOM 424 C ASP A 29 9.816 4.766 -2.737 1.00 0.00 C ATOM 425 O ASP A 29 10.867 4.163 -2.827 1.00 0.00 O ATOM 426 CB ASP A 29 10.335 6.839 -4.038 1.00 0.00 C ATOM 427 CG ASP A 29 10.178 8.360 -4.066 1.00 0.00 C ATOM 428 OD1 ASP A 29 9.460 8.878 -3.227 1.00 0.00 O ATOM 429 OD2 ASP A 29 10.778 8.982 -4.928 1.00 0.00 O ATOM 0 H ASP A 29 11.412 7.345 -1.843 1.00 0.00 H new ATOM 0 HA ASP A 29 8.754 6.644 -2.605 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.386 6.569 -4.141 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.807 6.393 -4.881 1.00 0.00 H new ATOM 434 N LEU A 30 8.683 4.135 -2.631 1.00 0.00 N ATOM 435 CA LEU A 30 8.664 2.649 -2.619 1.00 0.00 C ATOM 436 C LEU A 30 9.014 2.116 -4.009 1.00 0.00 C ATOM 437 O LEU A 30 8.912 0.934 -4.271 1.00 0.00 O ATOM 438 CB LEU A 30 7.273 2.159 -2.215 1.00 0.00 C ATOM 439 CG LEU A 30 6.227 2.805 -3.120 1.00 0.00 C ATOM 440 CD1 LEU A 30 5.242 1.741 -3.604 1.00 0.00 C ATOM 441 CD2 LEU A 30 5.474 3.881 -2.336 1.00 0.00 C ATOM 0 H LEU A 30 7.770 4.583 -2.552 1.00 0.00 H new ATOM 0 HA LEU A 30 9.399 2.285 -1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.220 1.073 -2.296 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.075 2.411 -1.173 1.00 0.00 H new ATOM 0 HG LEU A 30 6.719 3.258 -3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.496 2.203 -4.250 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.780 0.974 -4.162 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.747 1.286 -2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.726 4.344 -2.980 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.981 3.427 -1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.177 4.640 -1.992 1.00 0.00 H new ATOM 453 N VAL A 31 9.427 2.972 -4.904 1.00 0.00 N ATOM 454 CA VAL A 31 9.781 2.493 -6.268 1.00 0.00 C ATOM 455 C VAL A 31 10.782 1.349 -6.142 1.00 0.00 C ATOM 456 O VAL A 31 10.698 0.357 -6.839 1.00 0.00 O ATOM 457 CB VAL A 31 10.400 3.637 -7.073 1.00 0.00 C ATOM 458 CG1 VAL A 31 11.837 3.873 -6.605 1.00 0.00 C ATOM 459 CG2 VAL A 31 10.402 3.271 -8.559 1.00 0.00 C ATOM 0 H VAL A 31 9.534 3.975 -4.750 1.00 0.00 H new ATOM 0 HA VAL A 31 8.885 2.145 -6.783 1.00 0.00 H new ATOM 0 HB VAL A 31 9.816 4.545 -6.922 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.277 4.688 -7.179 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.837 4.133 -5.547 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.422 2.966 -6.755 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.843 4.086 -9.134 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.986 2.363 -8.709 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.378 3.103 -8.894 1.00 0.00 H new ATOM 469 N ASP A 32 11.712 1.464 -5.237 1.00 0.00 N ATOM 470 CA ASP A 32 12.695 0.364 -5.047 1.00 0.00 C ATOM 471 C ASP A 32 11.914 -0.897 -4.688 1.00 0.00 C ATOM 472 O ASP A 32 12.246 -1.994 -5.092 1.00 0.00 O ATOM 473 CB ASP A 32 13.657 0.718 -3.911 1.00 0.00 C ATOM 474 CG ASP A 32 14.528 1.904 -4.331 1.00 0.00 C ATOM 475 OD1 ASP A 32 14.520 2.233 -5.506 1.00 0.00 O ATOM 476 OD2 ASP A 32 15.187 2.463 -3.470 1.00 0.00 O ATOM 0 H ASP A 32 11.834 2.269 -4.623 1.00 0.00 H new ATOM 0 HA ASP A 32 13.277 0.209 -5.956 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.097 0.966 -3.010 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.284 -0.140 -3.670 1.00 0.00 H new ATOM 481 N ASN A 33 10.858 -0.731 -3.940 1.00 0.00 N ATOM 482 CA ASN A 33 10.013 -1.888 -3.549 1.00 0.00 C ATOM 483 C ASN A 33 9.002 -2.149 -4.665 1.00 0.00 C ATOM 484 O ASN A 33 8.018 -2.836 -4.480 1.00 0.00 O ATOM 485 CB ASN A 33 9.276 -1.566 -2.252 1.00 0.00 C ATOM 486 CG ASN A 33 10.291 -1.230 -1.161 1.00 0.00 C ATOM 487 OD1 ASN A 33 10.996 -2.096 -0.681 1.00 0.00 O ATOM 488 ND2 ASN A 33 10.400 0.002 -0.751 1.00 0.00 N ATOM 0 H ASN A 33 10.543 0.170 -3.580 1.00 0.00 H new ATOM 0 HA ASN A 33 10.633 -2.771 -3.394 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.599 -0.726 -2.405 1.00 0.00 H new ATOM 0 HB3 ASN A 33 8.666 -2.416 -1.947 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.077 0.240 -0.027 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.808 0.728 -1.154 1.00 0.00 H new ATOM 495 N GLY A 34 9.241 -1.586 -5.821 1.00 0.00 N ATOM 496 CA GLY A 34 8.306 -1.777 -6.966 1.00 0.00 C ATOM 497 C GLY A 34 7.868 -3.238 -7.034 1.00 0.00 C ATOM 498 O GLY A 34 6.909 -3.580 -7.693 1.00 0.00 O ATOM 0 H GLY A 34 10.050 -0.998 -6.021 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.436 -1.131 -6.849 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.793 -1.490 -7.898 1.00 0.00 H new ATOM 502 N VAL A 35 8.555 -4.105 -6.350 1.00 0.00 N ATOM 503 CA VAL A 35 8.163 -5.540 -6.375 1.00 0.00 C ATOM 504 C VAL A 35 6.673 -5.644 -6.044 1.00 0.00 C ATOM 505 O VAL A 35 5.961 -6.471 -6.579 1.00 0.00 O ATOM 506 CB VAL A 35 8.974 -6.308 -5.328 1.00 0.00 C ATOM 507 CG1 VAL A 35 8.396 -7.714 -5.157 1.00 0.00 C ATOM 508 CG2 VAL A 35 10.430 -6.410 -5.788 1.00 0.00 C ATOM 0 H VAL A 35 9.369 -3.884 -5.776 1.00 0.00 H new ATOM 0 HA VAL A 35 8.357 -5.964 -7.360 1.00 0.00 H new ATOM 0 HB VAL A 35 8.926 -5.780 -4.376 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.976 -8.258 -4.411 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.359 -7.644 -4.830 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.441 -8.244 -6.108 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.009 -6.957 -5.044 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.474 -6.937 -6.741 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.845 -5.409 -5.907 1.00 0.00 H new ATOM 518 N ILE A 36 6.200 -4.808 -5.162 1.00 0.00 N ATOM 519 CA ILE A 36 4.758 -4.847 -4.784 1.00 0.00 C ATOM 520 C ILE A 36 3.898 -4.342 -5.943 1.00 0.00 C ATOM 521 O ILE A 36 2.731 -4.651 -6.043 1.00 0.00 O ATOM 522 CB ILE A 36 4.531 -3.926 -3.587 1.00 0.00 C ATOM 523 CG1 ILE A 36 3.276 -4.366 -2.840 1.00 0.00 C ATOM 524 CG2 ILE A 36 4.338 -2.492 -4.085 1.00 0.00 C ATOM 525 CD1 ILE A 36 3.006 -3.403 -1.684 1.00 0.00 C ATOM 0 H ILE A 36 6.752 -4.096 -4.684 1.00 0.00 H new ATOM 0 HA ILE A 36 4.484 -5.874 -4.540 1.00 0.00 H new ATOM 0 HB ILE A 36 5.392 -3.975 -2.920 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.423 -4.384 -3.519 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.403 -5.380 -2.461 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.175 -1.830 -3.234 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.227 -2.173 -4.628 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.473 -2.450 -4.748 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.109 -3.718 -1.150 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.855 -3.408 -1.001 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.861 -2.396 -2.076 1.00 0.00 H new ATOM 537 N ASP A 37 4.460 -3.539 -6.797 1.00 0.00 N ATOM 538 CA ASP A 37 3.673 -2.976 -7.933 1.00 0.00 C ATOM 539 C ASP A 37 3.114 -4.091 -8.821 1.00 0.00 C ATOM 540 O ASP A 37 2.071 -3.935 -9.426 1.00 0.00 O ATOM 541 CB ASP A 37 4.566 -2.062 -8.775 1.00 0.00 C ATOM 542 CG ASP A 37 5.015 -0.867 -7.932 1.00 0.00 C ATOM 543 OD1 ASP A 37 4.418 -0.644 -6.892 1.00 0.00 O ATOM 544 OD2 ASP A 37 5.947 -0.195 -8.342 1.00 0.00 O ATOM 0 H ASP A 37 5.436 -3.244 -6.760 1.00 0.00 H new ATOM 0 HA ASP A 37 2.839 -2.408 -7.521 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.435 -2.615 -9.133 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.023 -1.716 -9.655 1.00 0.00 H new ATOM 549 N SER A 38 3.801 -5.198 -8.934 1.00 0.00 N ATOM 550 CA SER A 38 3.300 -6.292 -9.819 1.00 0.00 C ATOM 551 C SER A 38 2.891 -7.522 -9.003 1.00 0.00 C ATOM 552 O SER A 38 1.742 -7.916 -8.995 1.00 0.00 O ATOM 553 CB SER A 38 4.403 -6.686 -10.801 1.00 0.00 C ATOM 554 OG SER A 38 4.409 -5.766 -11.899 1.00 0.00 O ATOM 0 H SER A 38 4.681 -5.391 -8.456 1.00 0.00 H new ATOM 0 HA SER A 38 2.423 -5.928 -10.355 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.371 -6.679 -10.300 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.238 -7.701 -11.163 1.00 0.00 H new ATOM 0 HG SER A 38 5.116 -6.014 -12.530 1.00 0.00 H new ATOM 559 N LEU A 39 3.821 -8.151 -8.341 1.00 0.00 N ATOM 560 CA LEU A 39 3.473 -9.373 -7.559 1.00 0.00 C ATOM 561 C LEU A 39 2.563 -9.019 -6.384 1.00 0.00 C ATOM 562 O LEU A 39 1.518 -9.608 -6.196 1.00 0.00 O ATOM 563 CB LEU A 39 4.753 -10.020 -7.031 1.00 0.00 C ATOM 564 CG LEU A 39 5.444 -10.800 -8.154 1.00 0.00 C ATOM 565 CD1 LEU A 39 4.587 -12.004 -8.555 1.00 0.00 C ATOM 566 CD2 LEU A 39 5.636 -9.888 -9.369 1.00 0.00 C ATOM 0 H LEU A 39 4.802 -7.875 -8.306 1.00 0.00 H new ATOM 0 HA LEU A 39 2.947 -10.068 -8.213 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.424 -9.254 -6.642 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.518 -10.689 -6.203 1.00 0.00 H new ATOM 0 HG LEU A 39 6.414 -11.149 -7.801 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.084 -12.554 -9.354 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.452 -12.658 -7.693 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.614 -11.658 -8.904 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.128 -10.444 -10.167 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.665 -9.536 -9.717 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.252 -9.034 -9.089 1.00 0.00 H new ATOM 578 N GLY A 40 2.954 -8.067 -5.590 1.00 0.00 N ATOM 579 CA GLY A 40 2.116 -7.680 -4.422 1.00 0.00 C ATOM 580 C GLY A 40 0.849 -6.971 -4.897 1.00 0.00 C ATOM 581 O GLY A 40 -0.216 -7.138 -4.337 1.00 0.00 O ATOM 0 H GLY A 40 3.819 -7.538 -5.698 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.852 -8.566 -3.845 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.682 -7.025 -3.760 1.00 0.00 H new ATOM 585 N LEU A 41 0.958 -6.172 -5.920 1.00 0.00 N ATOM 586 CA LEU A 41 -0.235 -5.441 -6.424 1.00 0.00 C ATOM 587 C LEU A 41 -1.313 -6.448 -6.819 1.00 0.00 C ATOM 588 O LEU A 41 -2.484 -6.255 -6.558 1.00 0.00 O ATOM 589 CB LEU A 41 0.161 -4.609 -7.646 1.00 0.00 C ATOM 590 CG LEU A 41 -1.007 -3.719 -8.069 1.00 0.00 C ATOM 591 CD1 LEU A 41 -0.972 -2.418 -7.266 1.00 0.00 C ATOM 592 CD2 LEU A 41 -0.890 -3.401 -9.561 1.00 0.00 C ATOM 0 H LEU A 41 1.823 -5.994 -6.429 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.620 -4.783 -5.645 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.031 -3.996 -7.413 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.445 -5.266 -8.468 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.947 -4.237 -7.880 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.805 -1.782 -7.567 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.054 -2.644 -6.203 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.032 -1.899 -7.455 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.723 -2.766 -9.864 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.050 -2.882 -9.750 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.914 -4.328 -10.134 1.00 0.00 H new ATOM 604 N LEU A 42 -0.927 -7.524 -7.443 1.00 0.00 N ATOM 605 CA LEU A 42 -1.934 -8.544 -7.848 1.00 0.00 C ATOM 606 C LEU A 42 -2.548 -9.168 -6.593 1.00 0.00 C ATOM 607 O LEU A 42 -3.745 -9.351 -6.498 1.00 0.00 O ATOM 608 CB LEU A 42 -1.252 -9.631 -8.682 1.00 0.00 C ATOM 609 CG LEU A 42 -2.303 -10.588 -9.245 1.00 0.00 C ATOM 610 CD1 LEU A 42 -2.841 -10.027 -10.558 1.00 0.00 C ATOM 611 CD2 LEU A 42 -1.664 -11.955 -9.498 1.00 0.00 C ATOM 0 H LEU A 42 0.038 -7.742 -7.690 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.717 -8.073 -8.443 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.687 -9.177 -9.496 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.539 -10.180 -8.067 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.120 -10.697 -8.531 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.591 -10.706 -10.964 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.294 -9.052 -10.379 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.023 -9.922 -11.271 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.413 -12.638 -9.899 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.849 -11.849 -10.214 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.275 -12.354 -8.561 1.00 0.00 H new ATOM 623 N LYS A 43 -1.732 -9.489 -5.625 1.00 0.00 N ATOM 624 CA LYS A 43 -2.258 -10.092 -4.372 1.00 0.00 C ATOM 625 C LYS A 43 -3.165 -9.087 -3.661 1.00 0.00 C ATOM 626 O LYS A 43 -4.142 -9.448 -3.036 1.00 0.00 O ATOM 627 CB LYS A 43 -1.087 -10.457 -3.463 1.00 0.00 C ATOM 628 CG LYS A 43 -0.241 -11.544 -4.129 1.00 0.00 C ATOM 629 CD LYS A 43 0.868 -11.988 -3.172 1.00 0.00 C ATOM 630 CE LYS A 43 1.789 -12.981 -3.883 1.00 0.00 C ATOM 631 NZ LYS A 43 3.095 -12.325 -4.177 1.00 0.00 N ATOM 0 H LYS A 43 -0.721 -9.358 -5.651 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.832 -10.988 -4.609 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.477 -9.575 -3.267 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.457 -10.809 -2.500 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.868 -12.395 -4.395 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.193 -11.166 -5.054 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.439 -11.123 -2.835 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.434 -12.449 -2.285 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.944 -13.861 -3.258 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.326 -13.325 -4.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.721 -13.000 -4.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.938 -11.499 -4.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.537 -12.018 -3.287 1.00 0.00 H new ATOM 645 N VAL A 44 -2.841 -7.825 -3.746 1.00 0.00 N ATOM 646 CA VAL A 44 -3.674 -6.790 -3.070 1.00 0.00 C ATOM 647 C VAL A 44 -5.107 -6.844 -3.598 1.00 0.00 C ATOM 648 O VAL A 44 -6.057 -6.760 -2.847 1.00 0.00 O ATOM 649 CB VAL A 44 -3.085 -5.410 -3.350 1.00 0.00 C ATOM 650 CG1 VAL A 44 -4.055 -4.337 -2.856 1.00 0.00 C ATOM 651 CG2 VAL A 44 -1.751 -5.272 -2.617 1.00 0.00 C ATOM 0 H VAL A 44 -2.034 -7.466 -4.256 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.682 -6.981 -1.997 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.925 -5.289 -4.421 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.637 -3.350 -3.054 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.007 -4.440 -3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.213 -4.455 -1.784 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.327 -4.287 -2.815 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.911 -5.390 -1.545 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.062 -6.040 -2.968 1.00 0.00 H new ATOM 661 N ILE A 45 -5.274 -6.980 -4.882 1.00 0.00 N ATOM 662 CA ILE A 45 -6.647 -7.036 -5.451 1.00 0.00 C ATOM 663 C ILE A 45 -7.404 -8.219 -4.847 1.00 0.00 C ATOM 664 O ILE A 45 -8.517 -8.085 -4.378 1.00 0.00 O ATOM 665 CB ILE A 45 -6.555 -7.206 -6.969 1.00 0.00 C ATOM 666 CG1 ILE A 45 -6.539 -5.831 -7.642 1.00 0.00 C ATOM 667 CG2 ILE A 45 -7.756 -8.006 -7.468 1.00 0.00 C ATOM 668 CD1 ILE A 45 -5.255 -5.090 -7.263 1.00 0.00 C ATOM 0 H ILE A 45 -4.518 -7.055 -5.563 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.179 -6.113 -5.218 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.637 -7.739 -7.217 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.600 -5.944 -8.724 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.410 -5.253 -7.332 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.689 -8.126 -8.549 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -7.762 -8.987 -6.993 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.675 -7.476 -7.218 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.245 -4.111 -7.743 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.213 -4.964 -6.181 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.391 -5.666 -7.595 1.00 0.00 H new ATOM 680 N ALA A 46 -6.809 -9.379 -4.860 1.00 0.00 N ATOM 681 CA ALA A 46 -7.491 -10.576 -4.293 1.00 0.00 C ATOM 682 C ALA A 46 -7.697 -10.395 -2.789 1.00 0.00 C ATOM 683 O ALA A 46 -8.749 -10.686 -2.256 1.00 0.00 O ATOM 684 CB ALA A 46 -6.618 -11.805 -4.538 1.00 0.00 C ATOM 0 H ALA A 46 -5.878 -9.550 -5.240 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.461 -10.703 -4.773 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.108 -12.687 -4.127 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.470 -11.939 -5.610 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.652 -11.667 -4.053 1.00 0.00 H new ATOM 690 N TRP A 47 -6.700 -9.915 -2.099 1.00 0.00 N ATOM 691 CA TRP A 47 -6.838 -9.714 -0.632 1.00 0.00 C ATOM 692 C TRP A 47 -7.833 -8.586 -0.363 1.00 0.00 C ATOM 693 O TRP A 47 -8.646 -8.660 0.537 1.00 0.00 O ATOM 694 CB TRP A 47 -5.475 -9.350 -0.042 1.00 0.00 C ATOM 695 CG TRP A 47 -5.666 -8.515 1.181 1.00 0.00 C ATOM 696 CD1 TRP A 47 -5.859 -8.992 2.432 1.00 0.00 C ATOM 697 CD2 TRP A 47 -5.682 -7.064 1.289 1.00 0.00 C ATOM 698 NE1 TRP A 47 -5.990 -7.924 3.302 1.00 0.00 N ATOM 699 CE2 TRP A 47 -5.887 -6.714 2.643 1.00 0.00 C ATOM 700 CE3 TRP A 47 -5.537 -6.028 0.350 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -5.947 -5.381 3.051 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -5.596 -4.687 0.756 1.00 0.00 C ATOM 703 CH2 TRP A 47 -5.800 -4.364 2.103 1.00 0.00 C ATOM 0 H TRP A 47 -5.795 -9.653 -2.490 1.00 0.00 H new ATOM 0 HA TRP A 47 -7.201 -10.631 -0.169 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -4.921 -10.255 0.206 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -4.883 -8.806 -0.777 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -5.904 -10.036 2.707 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.144 -8.018 4.306 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.379 -6.266 -0.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -6.106 -5.137 4.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.483 -3.899 0.026 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.844 -3.329 2.410 1.00 0.00 H new ATOM 714 N LEU A 48 -7.771 -7.537 -1.137 1.00 0.00 N ATOM 715 CA LEU A 48 -8.705 -6.399 -0.928 1.00 0.00 C ATOM 716 C LEU A 48 -10.147 -6.898 -1.045 1.00 0.00 C ATOM 717 O LEU A 48 -10.983 -6.610 -0.212 1.00 0.00 O ATOM 718 CB LEU A 48 -8.440 -5.342 -2.001 1.00 0.00 C ATOM 719 CG LEU A 48 -9.261 -4.091 -1.715 1.00 0.00 C ATOM 720 CD1 LEU A 48 -8.520 -3.229 -0.698 1.00 0.00 C ATOM 721 CD2 LEU A 48 -9.450 -3.305 -3.013 1.00 0.00 C ATOM 0 H LEU A 48 -7.112 -7.421 -1.906 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.553 -5.968 0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.379 -5.093 -2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.696 -5.738 -2.984 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.236 -4.370 -1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.102 -2.332 -0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.379 -3.794 0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.548 -2.945 -1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -10.037 -2.409 -2.813 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.476 -3.020 -3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.972 -3.926 -3.741 1.00 0.00 H new ATOM 733 N GLU A 49 -10.440 -7.657 -2.065 1.00 0.00 N ATOM 734 CA GLU A 49 -11.821 -8.189 -2.223 1.00 0.00 C ATOM 735 C GLU A 49 -12.108 -9.167 -1.085 1.00 0.00 C ATOM 736 O GLU A 49 -13.186 -9.202 -0.533 1.00 0.00 O ATOM 737 CB GLU A 49 -11.934 -8.909 -3.572 1.00 0.00 C ATOM 738 CG GLU A 49 -13.330 -9.504 -3.733 1.00 0.00 C ATOM 739 CD GLU A 49 -13.414 -10.260 -5.060 1.00 0.00 C ATOM 740 OE1 GLU A 49 -12.407 -10.327 -5.746 1.00 0.00 O ATOM 741 OE2 GLU A 49 -14.483 -10.760 -5.368 1.00 0.00 O ATOM 0 H GLU A 49 -9.782 -7.931 -2.795 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.543 -7.373 -2.192 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.732 -8.210 -4.384 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.184 -9.698 -3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.547 -10.178 -2.904 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.079 -8.713 -3.705 1.00 0.00 H new ATOM 748 N ASP A 50 -11.142 -9.960 -0.735 1.00 0.00 N ATOM 749 CA ASP A 50 -11.331 -10.944 0.362 1.00 0.00 C ATOM 750 C ASP A 50 -11.597 -10.226 1.688 1.00 0.00 C ATOM 751 O ASP A 50 -12.386 -10.670 2.499 1.00 0.00 O ATOM 752 CB ASP A 50 -10.055 -11.766 0.488 1.00 0.00 C ATOM 753 CG ASP A 50 -9.895 -12.662 -0.741 1.00 0.00 C ATOM 754 OD1 ASP A 50 -10.843 -12.765 -1.502 1.00 0.00 O ATOM 755 OD2 ASP A 50 -8.827 -13.230 -0.900 1.00 0.00 O ATOM 0 H ASP A 50 -10.218 -9.970 -1.166 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.185 -11.582 0.135 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.193 -11.105 0.583 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.091 -12.375 1.391 1.00 0.00 H new ATOM 760 N ARG A 51 -10.916 -9.143 1.930 1.00 0.00 N ATOM 761 CA ARG A 51 -11.092 -8.417 3.222 1.00 0.00 C ATOM 762 C ARG A 51 -12.275 -7.439 3.178 1.00 0.00 C ATOM 763 O ARG A 51 -13.089 -7.413 4.079 1.00 0.00 O ATOM 764 CB ARG A 51 -9.812 -7.640 3.536 1.00 0.00 C ATOM 765 CG ARG A 51 -9.934 -6.991 4.916 1.00 0.00 C ATOM 766 CD ARG A 51 -8.668 -6.187 5.217 1.00 0.00 C ATOM 767 NE ARG A 51 -8.743 -5.642 6.601 1.00 0.00 N ATOM 768 CZ ARG A 51 -7.651 -5.303 7.230 1.00 0.00 C ATOM 769 NH1 ARG A 51 -6.492 -5.446 6.646 1.00 0.00 N ATOM 770 NH2 ARG A 51 -7.717 -4.823 8.441 1.00 0.00 N ATOM 0 H ARG A 51 -10.242 -8.726 1.288 1.00 0.00 H new ATOM 0 HA ARG A 51 -11.299 -9.156 3.996 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.952 -8.310 3.512 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.642 -6.876 2.777 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.807 -6.339 4.947 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.081 -7.757 5.678 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.788 -6.821 5.112 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.562 -5.373 4.500 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.649 -5.534 7.058 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.441 -5.822 5.699 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.638 -5.181 7.136 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.623 -4.712 8.897 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.863 -4.558 8.932 1.00 0.00 H new ATOM 784 N PHE A 52 -12.363 -6.607 2.174 1.00 0.00 N ATOM 785 CA PHE A 52 -13.475 -5.616 2.139 1.00 0.00 C ATOM 786 C PHE A 52 -14.626 -6.098 1.253 1.00 0.00 C ATOM 787 O PHE A 52 -15.651 -5.453 1.163 1.00 0.00 O ATOM 788 CB PHE A 52 -12.936 -4.296 1.592 1.00 0.00 C ATOM 789 CG PHE A 52 -11.888 -3.749 2.532 1.00 0.00 C ATOM 790 CD1 PHE A 52 -12.275 -3.022 3.664 1.00 0.00 C ATOM 791 CD2 PHE A 52 -10.531 -3.969 2.271 1.00 0.00 C ATOM 792 CE1 PHE A 52 -11.304 -2.515 4.535 1.00 0.00 C ATOM 793 CE2 PHE A 52 -9.560 -3.462 3.142 1.00 0.00 C ATOM 794 CZ PHE A 52 -9.946 -2.734 4.274 1.00 0.00 C ATOM 0 H PHE A 52 -11.719 -6.571 1.384 1.00 0.00 H new ATOM 0 HA PHE A 52 -13.860 -5.488 3.151 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -12.507 -4.449 0.602 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.749 -3.578 1.480 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -13.322 -2.852 3.865 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -10.233 -4.530 1.398 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -11.602 -1.955 5.409 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.513 -3.632 2.941 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.197 -2.342 4.945 1.00 0.00 H new ATOM 804 N GLY A 53 -14.483 -7.212 0.594 1.00 0.00 N ATOM 805 CA GLY A 53 -15.597 -7.688 -0.274 1.00 0.00 C ATOM 806 C GLY A 53 -15.747 -6.730 -1.456 1.00 0.00 C ATOM 807 O GLY A 53 -16.823 -6.551 -1.991 1.00 0.00 O ATOM 0 H GLY A 53 -13.655 -7.808 0.616 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.392 -8.698 -0.630 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -16.526 -7.733 0.295 1.00 0.00 H new ATOM 811 N ILE A 54 -14.676 -6.102 -1.860 1.00 0.00 N ATOM 812 CA ILE A 54 -14.758 -5.143 -2.998 1.00 0.00 C ATOM 813 C ILE A 54 -14.314 -5.831 -4.289 1.00 0.00 C ATOM 814 O ILE A 54 -13.394 -6.621 -4.299 1.00 0.00 O ATOM 815 CB ILE A 54 -13.845 -3.951 -2.718 1.00 0.00 C ATOM 816 CG1 ILE A 54 -14.259 -3.298 -1.399 1.00 0.00 C ATOM 817 CG2 ILE A 54 -13.969 -2.932 -3.852 1.00 0.00 C ATOM 818 CD1 ILE A 54 -13.191 -2.292 -0.971 1.00 0.00 C ATOM 0 H ILE A 54 -13.748 -6.212 -1.451 1.00 0.00 H new ATOM 0 HA ILE A 54 -15.787 -4.801 -3.110 1.00 0.00 H new ATOM 0 HB ILE A 54 -12.812 -4.291 -2.651 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -15.220 -2.797 -1.515 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.387 -4.059 -0.629 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -13.317 -2.082 -3.650 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.677 -3.398 -4.793 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -15.001 -2.589 -3.921 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -13.486 -1.826 -0.031 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.239 -2.806 -0.838 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -13.085 -1.525 -1.738 1.00 0.00 H new ATOM 830 N ALA A 55 -14.965 -5.535 -5.380 1.00 0.00 N ATOM 831 CA ALA A 55 -14.591 -6.171 -6.673 1.00 0.00 C ATOM 832 C ALA A 55 -13.151 -5.801 -7.026 1.00 0.00 C ATOM 833 O ALA A 55 -12.643 -4.776 -6.615 1.00 0.00 O ATOM 834 CB ALA A 55 -15.529 -5.677 -7.775 1.00 0.00 C ATOM 0 H ALA A 55 -15.743 -4.877 -5.431 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.676 -7.254 -6.582 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -15.255 -6.143 -8.722 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.556 -5.942 -7.524 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.445 -4.594 -7.866 1.00 0.00 H new ATOM 840 N ALA A 56 -12.486 -6.636 -7.774 1.00 0.00 N ATOM 841 CA ALA A 56 -11.074 -6.345 -8.145 1.00 0.00 C ATOM 842 C ALA A 56 -10.990 -5.001 -8.868 1.00 0.00 C ATOM 843 O ALA A 56 -10.023 -4.278 -8.736 1.00 0.00 O ATOM 844 CB ALA A 56 -10.553 -7.450 -9.065 1.00 0.00 C ATOM 0 H ALA A 56 -12.860 -7.509 -8.145 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.468 -6.303 -7.240 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.519 -7.239 -9.338 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.603 -8.408 -8.548 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.165 -7.492 -9.966 1.00 0.00 H new ATOM 850 N ASP A 57 -11.988 -4.659 -9.636 1.00 0.00 N ATOM 851 CA ASP A 57 -11.945 -3.360 -10.365 1.00 0.00 C ATOM 852 C ASP A 57 -10.650 -3.293 -11.172 1.00 0.00 C ATOM 853 O ASP A 57 -9.918 -2.326 -11.116 1.00 0.00 O ATOM 854 CB ASP A 57 -11.992 -2.204 -9.367 1.00 0.00 C ATOM 855 CG ASP A 57 -13.337 -2.211 -8.638 1.00 0.00 C ATOM 856 OD1 ASP A 57 -14.236 -2.893 -9.102 1.00 0.00 O ATOM 857 OD2 ASP A 57 -13.445 -1.534 -7.629 1.00 0.00 O ATOM 0 H ASP A 57 -12.827 -5.219 -9.790 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.803 -3.282 -11.033 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.177 -2.297 -8.649 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.853 -1.256 -9.886 1.00 0.00 H new ATOM 862 N ASP A 58 -10.358 -4.327 -11.911 1.00 0.00 N ATOM 863 CA ASP A 58 -9.106 -4.345 -12.713 1.00 0.00 C ATOM 864 C ASP A 58 -8.882 -2.978 -13.361 1.00 0.00 C ATOM 865 O ASP A 58 -9.662 -2.524 -14.174 1.00 0.00 O ATOM 866 CB ASP A 58 -9.221 -5.412 -13.799 1.00 0.00 C ATOM 867 CG ASP A 58 -9.226 -6.799 -13.154 1.00 0.00 C ATOM 868 OD1 ASP A 58 -8.929 -6.883 -11.974 1.00 0.00 O ATOM 869 OD2 ASP A 58 -9.527 -7.753 -13.851 1.00 0.00 O ATOM 0 H ASP A 58 -10.936 -5.163 -11.993 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.262 -4.572 -12.061 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.135 -5.264 -14.374 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.388 -5.327 -14.497 1.00 0.00 H new ATOM 874 N VAL A 59 -7.812 -2.326 -13.003 1.00 0.00 N ATOM 875 CA VAL A 59 -7.510 -0.990 -13.585 1.00 0.00 C ATOM 876 C VAL A 59 -6.015 -0.914 -13.903 1.00 0.00 C ATOM 877 O VAL A 59 -5.198 -1.482 -13.205 1.00 0.00 O ATOM 878 CB VAL A 59 -7.880 0.099 -12.577 1.00 0.00 C ATOM 879 CG1 VAL A 59 -7.038 -0.071 -11.311 1.00 0.00 C ATOM 880 CG2 VAL A 59 -7.606 1.475 -13.189 1.00 0.00 C ATOM 0 H VAL A 59 -7.128 -2.665 -12.326 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.087 -0.843 -14.498 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.937 0.017 -12.325 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.301 0.705 -10.592 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.231 -1.051 -10.874 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.981 0.012 -11.563 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -7.870 2.252 -12.471 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.549 1.557 -13.441 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.204 1.597 -14.092 1.00 0.00 H new ATOM 890 N GLU A 60 -5.644 -0.227 -14.948 1.00 0.00 N ATOM 891 CA GLU A 60 -4.197 -0.137 -15.288 1.00 0.00 C ATOM 892 C GLU A 60 -3.544 0.985 -14.482 1.00 0.00 C ATOM 893 O GLU A 60 -3.994 2.113 -14.490 1.00 0.00 O ATOM 894 CB GLU A 60 -4.034 0.150 -16.780 1.00 0.00 C ATOM 895 CG GLU A 60 -2.551 0.172 -17.127 1.00 0.00 C ATOM 896 CD GLU A 60 -2.374 0.476 -18.615 1.00 0.00 C ATOM 897 OE1 GLU A 60 -3.375 0.686 -19.280 1.00 0.00 O ATOM 898 OE2 GLU A 60 -1.240 0.494 -19.065 1.00 0.00 O ATOM 0 H GLU A 60 -6.274 0.272 -15.576 1.00 0.00 H new ATOM 0 HA GLU A 60 -3.716 -1.084 -15.045 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.546 -0.613 -17.367 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.493 1.107 -17.031 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.039 0.926 -16.529 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.097 -0.789 -16.886 1.00 0.00 H new ATOM 905 N LEU A 61 -2.482 0.676 -13.786 1.00 0.00 N ATOM 906 CA LEU A 61 -1.786 1.708 -12.972 1.00 0.00 C ATOM 907 C LEU A 61 -0.388 1.955 -13.542 1.00 0.00 C ATOM 908 O LEU A 61 0.286 1.041 -13.975 1.00 0.00 O ATOM 909 CB LEU A 61 -1.668 1.216 -11.529 1.00 0.00 C ATOM 910 CG LEU A 61 -3.041 0.773 -11.028 1.00 0.00 C ATOM 911 CD1 LEU A 61 -2.961 0.439 -9.538 1.00 0.00 C ATOM 912 CD2 LEU A 61 -4.052 1.900 -11.247 1.00 0.00 C ATOM 0 H LEU A 61 -2.066 -0.255 -13.748 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.355 2.637 -12.998 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.964 0.386 -11.473 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.276 2.010 -10.894 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.359 -0.112 -11.579 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.942 0.123 -9.183 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.243 -0.366 -9.384 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.641 1.322 -8.984 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.032 1.584 -10.890 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.734 2.786 -10.698 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.112 2.134 -12.310 1.00 0.00 H new ATOM 924 N SER A 62 0.057 3.181 -13.539 1.00 0.00 N ATOM 925 CA SER A 62 1.414 3.481 -14.073 1.00 0.00 C ATOM 926 C SER A 62 2.417 3.500 -12.918 1.00 0.00 C ATOM 927 O SER A 62 2.051 3.684 -11.773 1.00 0.00 O ATOM 928 CB SER A 62 1.401 4.846 -14.762 1.00 0.00 C ATOM 929 OG SER A 62 1.654 4.674 -16.150 1.00 0.00 O ATOM 0 H SER A 62 -0.461 3.988 -13.190 1.00 0.00 H new ATOM 0 HA SER A 62 1.701 2.716 -14.794 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.437 5.332 -14.614 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.156 5.496 -14.321 1.00 0.00 H new ATOM 0 HG SER A 62 1.645 5.547 -16.595 1.00 0.00 H new ATOM 935 N PRO A 63 3.673 3.311 -13.216 1.00 0.00 N ATOM 936 CA PRO A 63 4.753 3.305 -12.187 1.00 0.00 C ATOM 937 C PRO A 63 4.808 4.622 -11.407 1.00 0.00 C ATOM 938 O PRO A 63 5.202 4.660 -10.258 1.00 0.00 O ATOM 939 CB PRO A 63 6.045 3.106 -12.991 1.00 0.00 C ATOM 940 CG PRO A 63 5.693 3.377 -14.418 1.00 0.00 C ATOM 941 CD PRO A 63 4.203 3.086 -14.565 1.00 0.00 C ATOM 0 HA PRO A 63 4.590 2.527 -11.441 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.826 3.784 -12.647 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.427 2.092 -12.870 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.913 4.412 -14.681 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.278 2.747 -15.087 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.736 3.747 -15.295 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.025 2.064 -14.900 1.00 0.00 H new ATOM 949 N GLU A 64 4.410 5.699 -12.024 1.00 0.00 N ATOM 950 CA GLU A 64 4.431 7.014 -11.324 1.00 0.00 C ATOM 951 C GLU A 64 3.457 6.980 -10.145 1.00 0.00 C ATOM 952 O GLU A 64 3.645 7.653 -9.151 1.00 0.00 O ATOM 953 CB GLU A 64 4.016 8.116 -12.297 1.00 0.00 C ATOM 954 CG GLU A 64 5.047 8.227 -13.415 1.00 0.00 C ATOM 955 CD GLU A 64 4.670 9.379 -14.348 1.00 0.00 C ATOM 956 OE1 GLU A 64 3.581 9.908 -14.194 1.00 0.00 O ATOM 957 OE2 GLU A 64 5.476 9.713 -15.200 1.00 0.00 O ATOM 0 H GLU A 64 4.070 5.726 -12.985 1.00 0.00 H new ATOM 0 HA GLU A 64 5.438 7.214 -10.957 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.034 7.895 -12.715 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.932 9.067 -11.771 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.038 8.396 -12.994 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.094 7.293 -13.975 1.00 0.00 H new ATOM 964 N HIS A 65 2.414 6.204 -10.251 1.00 0.00 N ATOM 965 CA HIS A 65 1.423 6.128 -9.141 1.00 0.00 C ATOM 966 C HIS A 65 2.063 5.465 -7.919 1.00 0.00 C ATOM 967 O HIS A 65 1.667 5.701 -6.796 1.00 0.00 O ATOM 968 CB HIS A 65 0.215 5.306 -9.594 1.00 0.00 C ATOM 969 CG HIS A 65 -0.764 5.187 -8.459 1.00 0.00 C ATOM 970 ND1 HIS A 65 -0.866 4.037 -7.688 1.00 0.00 N ATOM 971 CD2 HIS A 65 -1.689 6.064 -7.948 1.00 0.00 C ATOM 972 CE1 HIS A 65 -1.820 4.251 -6.764 1.00 0.00 C ATOM 973 NE2 HIS A 65 -2.351 5.470 -6.880 1.00 0.00 N ATOM 0 H HIS A 65 2.205 5.618 -11.060 1.00 0.00 H new ATOM 0 HA HIS A 65 1.101 7.135 -8.875 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -0.262 5.782 -10.451 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.536 4.316 -9.917 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -0.317 3.185 -7.802 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -1.874 7.061 -8.319 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.119 3.527 -6.021 1.00 0.00 H new ATOM 982 N PHE A 66 3.046 4.635 -8.127 1.00 0.00 N ATOM 983 CA PHE A 66 3.705 3.959 -6.974 1.00 0.00 C ATOM 984 C PHE A 66 4.978 4.719 -6.596 1.00 0.00 C ATOM 985 O PHE A 66 5.754 4.277 -5.773 1.00 0.00 O ATOM 986 CB PHE A 66 4.066 2.525 -7.365 1.00 0.00 C ATOM 987 CG PHE A 66 2.811 1.779 -7.747 1.00 0.00 C ATOM 988 CD1 PHE A 66 2.005 1.209 -6.755 1.00 0.00 C ATOM 989 CD2 PHE A 66 2.453 1.659 -9.095 1.00 0.00 C ATOM 990 CE1 PHE A 66 0.841 0.518 -7.111 1.00 0.00 C ATOM 991 CE2 PHE A 66 1.289 0.969 -9.451 1.00 0.00 C ATOM 992 CZ PHE A 66 0.483 0.399 -8.459 1.00 0.00 C ATOM 0 H PHE A 66 3.422 4.395 -9.044 1.00 0.00 H new ATOM 0 HA PHE A 66 3.024 3.945 -6.123 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.768 2.529 -8.199 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.562 2.023 -6.534 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.281 1.302 -5.715 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.075 2.099 -9.860 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.219 0.077 -6.346 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.013 0.876 -10.491 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.416 -0.133 -8.734 1.00 0.00 H new ATOM 1002 N ARG A 67 5.204 5.854 -7.197 1.00 0.00 N ATOM 1003 CA ARG A 67 6.433 6.635 -6.880 1.00 0.00 C ATOM 1004 C ARG A 67 6.494 6.931 -5.376 1.00 0.00 C ATOM 1005 O ARG A 67 7.551 6.902 -4.778 1.00 0.00 O ATOM 1006 CB ARG A 67 6.411 7.954 -7.664 1.00 0.00 C ATOM 1007 CG ARG A 67 7.715 8.733 -7.448 1.00 0.00 C ATOM 1008 CD ARG A 67 8.824 8.172 -8.345 1.00 0.00 C ATOM 1009 NE ARG A 67 10.070 8.963 -8.142 1.00 0.00 N ATOM 1010 CZ ARG A 67 11.170 8.616 -8.752 1.00 0.00 C ATOM 1011 NH1 ARG A 67 11.179 7.576 -9.541 1.00 0.00 N ATOM 1012 NH2 ARG A 67 12.261 9.309 -8.574 1.00 0.00 N ATOM 0 H ARG A 67 4.590 6.275 -7.895 1.00 0.00 H new ATOM 0 HA ARG A 67 7.311 6.054 -7.162 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.275 7.750 -8.726 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.563 8.559 -7.344 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.557 9.788 -7.670 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.016 8.669 -6.402 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.003 7.123 -8.108 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.519 8.215 -9.390 1.00 0.00 H new ATOM 0 HE ARG A 67 10.063 9.776 -7.526 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.326 7.034 -9.681 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.039 7.305 -10.018 1.00 0.00 H new ATOM 0 HH21 ARG A 67 12.254 10.122 -7.958 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.121 9.038 -9.051 1.00 0.00 H new ATOM 1026 N SER A 68 5.380 7.224 -4.759 1.00 0.00 N ATOM 1027 CA SER A 68 5.405 7.529 -3.298 1.00 0.00 C ATOM 1028 C SER A 68 4.203 6.886 -2.600 1.00 0.00 C ATOM 1029 O SER A 68 3.181 6.627 -3.205 1.00 0.00 O ATOM 1030 CB SER A 68 5.356 9.043 -3.095 1.00 0.00 C ATOM 1031 OG SER A 68 4.089 9.532 -3.515 1.00 0.00 O ATOM 0 H SER A 68 4.461 7.265 -5.199 1.00 0.00 H new ATOM 0 HA SER A 68 6.322 7.126 -2.869 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.523 9.286 -2.046 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.151 9.524 -3.664 1.00 0.00 H new ATOM 0 HG SER A 68 4.053 10.503 -3.385 1.00 0.00 H new ATOM 1037 N ILE A 69 4.323 6.633 -1.323 1.00 0.00 N ATOM 1038 CA ILE A 69 3.206 6.015 -0.564 1.00 0.00 C ATOM 1039 C ILE A 69 1.979 6.930 -0.597 1.00 0.00 C ATOM 1040 O ILE A 69 0.854 6.473 -0.629 1.00 0.00 O ATOM 1041 CB ILE A 69 3.649 5.809 0.883 1.00 0.00 C ATOM 1042 CG1 ILE A 69 4.864 4.889 0.922 1.00 0.00 C ATOM 1043 CG2 ILE A 69 2.522 5.168 1.671 1.00 0.00 C ATOM 1044 CD1 ILE A 69 5.416 4.830 2.347 1.00 0.00 C ATOM 0 H ILE A 69 5.158 6.832 -0.772 1.00 0.00 H new ATOM 0 HA ILE A 69 2.944 5.058 -1.016 1.00 0.00 H new ATOM 0 HB ILE A 69 3.905 6.775 1.319 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.587 3.890 0.587 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.631 5.253 0.239 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.838 5.021 2.704 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.647 5.817 1.648 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.270 4.204 1.228 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.285 4.172 2.374 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.709 5.830 2.666 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.649 4.445 3.019 1.00 0.00 H new ATOM 1056 N ARG A 70 2.183 8.220 -0.570 1.00 0.00 N ATOM 1057 CA ARG A 70 1.024 9.157 -0.580 1.00 0.00 C ATOM 1058 C ARG A 70 0.182 8.937 -1.838 1.00 0.00 C ATOM 1059 O ARG A 70 -1.031 8.957 -1.791 1.00 0.00 O ATOM 1060 CB ARG A 70 1.536 10.599 -0.562 1.00 0.00 C ATOM 1061 CG ARG A 70 0.350 11.563 -0.511 1.00 0.00 C ATOM 1062 CD ARG A 70 0.863 13.003 -0.465 1.00 0.00 C ATOM 1063 NE ARG A 70 1.489 13.349 -1.773 1.00 0.00 N ATOM 1064 CZ ARG A 70 1.813 14.585 -2.036 1.00 0.00 C ATOM 1065 NH1 ARG A 70 1.590 15.520 -1.153 1.00 0.00 N ATOM 1066 NH2 ARG A 70 2.361 14.887 -3.181 1.00 0.00 N ATOM 0 H ARG A 70 3.101 8.664 -0.542 1.00 0.00 H new ATOM 0 HA ARG A 70 0.409 8.971 0.300 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.182 10.755 0.302 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.138 10.793 -1.450 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.286 11.420 -1.385 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.263 11.356 0.366 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.041 13.686 -0.251 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.590 13.116 0.339 1.00 0.00 H new ATOM 0 HE ARG A 70 1.664 12.619 -2.463 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.162 15.284 -0.257 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.843 16.486 -1.359 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.536 14.157 -3.871 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.614 15.854 -3.386 1.00 0.00 H new ATOM 1080 N SER A 71 0.807 8.721 -2.962 1.00 0.00 N ATOM 1081 CA SER A 71 0.021 8.495 -4.206 1.00 0.00 C ATOM 1082 C SER A 71 -0.874 7.270 -4.013 1.00 0.00 C ATOM 1083 O SER A 71 -2.030 7.264 -4.389 1.00 0.00 O ATOM 1084 CB SER A 71 0.976 8.255 -5.375 1.00 0.00 C ATOM 1085 OG SER A 71 0.228 8.151 -6.580 1.00 0.00 O ATOM 0 H SER A 71 1.821 8.691 -3.073 1.00 0.00 H new ATOM 0 HA SER A 71 -0.594 9.369 -4.420 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.693 9.073 -5.448 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.549 7.343 -5.210 1.00 0.00 H new ATOM 0 HG SER A 71 0.703 8.615 -7.301 1.00 0.00 H new ATOM 1091 N ILE A 72 -0.348 6.235 -3.417 1.00 0.00 N ATOM 1092 CA ILE A 72 -1.157 5.014 -3.183 1.00 0.00 C ATOM 1093 C ILE A 72 -2.297 5.341 -2.217 1.00 0.00 C ATOM 1094 O ILE A 72 -3.402 4.855 -2.356 1.00 0.00 O ATOM 1095 CB ILE A 72 -0.264 3.935 -2.577 1.00 0.00 C ATOM 1096 CG1 ILE A 72 0.881 3.621 -3.542 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -1.086 2.675 -2.338 1.00 0.00 C ATOM 1098 CD1 ILE A 72 1.849 2.638 -2.881 1.00 0.00 C ATOM 0 H ILE A 72 0.614 6.186 -3.081 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.574 4.657 -4.125 1.00 0.00 H new ATOM 0 HB ILE A 72 0.145 4.289 -1.631 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.487 3.195 -4.465 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.405 4.538 -3.812 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.450 1.903 -1.905 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.904 2.898 -1.653 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.493 2.321 -3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.665 2.414 -3.568 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.252 3.081 -1.971 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.320 1.718 -2.633 1.00 0.00 H new ATOM 1110 N ASP A 73 -2.032 6.159 -1.235 1.00 0.00 N ATOM 1111 CA ASP A 73 -3.091 6.516 -0.256 1.00 0.00 C ATOM 1112 C ASP A 73 -4.303 7.076 -1.000 1.00 0.00 C ATOM 1113 O ASP A 73 -5.436 6.805 -0.653 1.00 0.00 O ATOM 1114 CB ASP A 73 -2.551 7.578 0.702 1.00 0.00 C ATOM 1115 CG ASP A 73 -1.434 6.978 1.557 1.00 0.00 C ATOM 1116 OD1 ASP A 73 -1.267 5.771 1.515 1.00 0.00 O ATOM 1117 OD2 ASP A 73 -0.764 7.736 2.239 1.00 0.00 O ATOM 0 H ASP A 73 -1.125 6.595 -1.070 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.386 5.629 0.305 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.173 8.431 0.139 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -3.353 7.947 1.341 1.00 0.00 H new ATOM 1122 N ALA A 74 -4.077 7.857 -2.020 1.00 0.00 N ATOM 1123 CA ALA A 74 -5.222 8.430 -2.780 1.00 0.00 C ATOM 1124 C ALA A 74 -6.011 7.301 -3.443 1.00 0.00 C ATOM 1125 O ALA A 74 -7.226 7.313 -3.470 1.00 0.00 O ATOM 1126 CB ALA A 74 -4.697 9.386 -3.854 1.00 0.00 C ATOM 0 H ALA A 74 -3.152 8.122 -2.359 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.873 8.975 -2.097 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.536 9.805 -4.410 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.136 10.192 -3.381 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.044 8.843 -4.537 1.00 0.00 H new ATOM 1132 N PHE A 75 -5.332 6.325 -3.978 1.00 0.00 N ATOM 1133 CA PHE A 75 -6.050 5.197 -4.636 1.00 0.00 C ATOM 1134 C PHE A 75 -6.900 4.457 -3.601 1.00 0.00 C ATOM 1135 O PHE A 75 -8.072 4.213 -3.807 1.00 0.00 O ATOM 1136 CB PHE A 75 -5.034 4.231 -5.243 1.00 0.00 C ATOM 1137 CG PHE A 75 -5.760 3.156 -6.015 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -6.129 3.378 -7.347 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -6.062 1.935 -5.399 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -6.802 2.380 -8.063 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -6.735 0.938 -6.114 1.00 0.00 C ATOM 1142 CZ PHE A 75 -7.104 1.160 -7.446 1.00 0.00 C ATOM 0 H PHE A 75 -4.314 6.259 -3.988 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.695 5.589 -5.422 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -4.353 4.770 -5.902 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.428 3.782 -4.456 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.895 4.319 -7.823 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.775 1.763 -4.372 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.088 2.551 -9.090 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -6.970 -0.003 -5.638 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.622 0.390 -7.998 1.00 0.00 H new ATOM 1152 N VAL A 76 -6.318 4.098 -2.490 1.00 0.00 N ATOM 1153 CA VAL A 76 -7.085 3.377 -1.443 1.00 0.00 C ATOM 1154 C VAL A 76 -8.134 4.309 -0.832 1.00 0.00 C ATOM 1155 O VAL A 76 -9.251 3.913 -0.569 1.00 0.00 O ATOM 1156 CB VAL A 76 -6.121 2.907 -0.356 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -6.919 2.387 0.835 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -5.240 1.785 -0.907 1.00 0.00 C ATOM 0 H VAL A 76 -5.339 4.275 -2.264 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.590 2.518 -1.886 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.493 3.740 -0.040 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.234 2.051 1.613 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.549 3.185 1.227 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.545 1.553 0.517 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.552 1.449 -0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.867 0.951 -1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.672 2.154 -1.761 1.00 0.00 H new ATOM 1168 N VAL A 77 -7.782 5.544 -0.597 1.00 0.00 N ATOM 1169 CA VAL A 77 -8.753 6.496 0.001 1.00 0.00 C ATOM 1170 C VAL A 77 -9.947 6.680 -0.938 1.00 0.00 C ATOM 1171 O VAL A 77 -11.084 6.728 -0.512 1.00 0.00 O ATOM 1172 CB VAL A 77 -8.058 7.839 0.212 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -9.092 8.884 0.614 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -7.011 7.704 1.321 1.00 0.00 C ATOM 0 H VAL A 77 -6.860 5.933 -0.795 1.00 0.00 H new ATOM 0 HA VAL A 77 -9.110 6.106 0.954 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.569 8.146 -0.712 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -8.599 9.844 0.765 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -9.838 8.980 -0.175 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -9.579 8.576 1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.515 8.663 1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.499 7.398 2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.273 6.954 1.035 1.00 0.00 H new ATOM 1184 N GLY A 78 -9.697 6.792 -2.213 1.00 0.00 N ATOM 1185 CA GLY A 78 -10.814 6.983 -3.181 1.00 0.00 C ATOM 1186 C GLY A 78 -11.784 5.800 -3.115 1.00 0.00 C ATOM 1187 O GLY A 78 -12.979 5.961 -3.267 1.00 0.00 O ATOM 0 H GLY A 78 -8.766 6.759 -2.627 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -11.344 7.909 -2.957 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.416 7.080 -4.191 1.00 0.00 H new ATOM 1191 N ALA A 79 -11.286 4.612 -2.905 1.00 0.00 N ATOM 1192 CA ALA A 79 -12.193 3.430 -2.848 1.00 0.00 C ATOM 1193 C ALA A 79 -12.564 3.117 -1.398 1.00 0.00 C ATOM 1194 O ALA A 79 -13.721 2.950 -1.067 1.00 0.00 O ATOM 1195 CB ALA A 79 -11.489 2.220 -3.464 1.00 0.00 C ATOM 0 H ALA A 79 -10.295 4.409 -2.771 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.102 3.653 -3.406 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.150 1.355 -3.423 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.237 2.435 -4.502 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.577 2.006 -2.906 1.00 0.00 H new ATOM 1201 N THR A 80 -11.591 3.034 -0.535 1.00 0.00 N ATOM 1202 CA THR A 80 -11.880 2.728 0.896 1.00 0.00 C ATOM 1203 C THR A 80 -11.206 3.771 1.787 1.00 0.00 C ATOM 1204 O THR A 80 -10.067 4.136 1.576 1.00 0.00 O ATOM 1205 CB THR A 80 -11.339 1.341 1.239 1.00 0.00 C ATOM 1206 OG1 THR A 80 -11.878 0.387 0.335 1.00 0.00 O ATOM 1207 CG2 THR A 80 -11.736 0.974 2.670 1.00 0.00 C ATOM 0 H THR A 80 -10.604 3.165 -0.758 1.00 0.00 H new ATOM 0 HA THR A 80 -12.957 2.750 1.061 1.00 0.00 H new ATOM 0 HB THR A 80 -10.252 1.345 1.157 1.00 0.00 H new ATOM 0 HG1 THR A 80 -11.530 -0.503 0.553 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.349 -0.016 2.912 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.320 1.706 3.362 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.823 0.970 2.756 1.00 0.00 H new ATOM 1215 N THR A 81 -11.900 4.249 2.784 1.00 0.00 N ATOM 1216 CA THR A 81 -11.302 5.265 3.693 1.00 0.00 C ATOM 1217 C THR A 81 -11.505 4.830 5.149 1.00 0.00 C ATOM 1218 O THR A 81 -12.480 5.190 5.778 1.00 0.00 O ATOM 1219 CB THR A 81 -11.992 6.611 3.460 1.00 0.00 C ATOM 1220 OG1 THR A 81 -11.672 7.496 4.525 1.00 0.00 O ATOM 1221 CG2 THR A 81 -13.507 6.407 3.400 1.00 0.00 C ATOM 0 H THR A 81 -12.858 3.978 3.008 1.00 0.00 H new ATOM 0 HA THR A 81 -10.235 5.359 3.491 1.00 0.00 H new ATOM 0 HB THR A 81 -11.649 7.037 2.517 1.00 0.00 H new ATOM 0 HG1 THR A 81 -10.792 7.896 4.365 1.00 0.00 H new ATOM 0 HG21 THR A 81 -13.997 7.366 3.234 1.00 0.00 H new ATOM 0 HG22 THR A 81 -13.751 5.729 2.582 1.00 0.00 H new ATOM 0 HG23 THR A 81 -13.854 5.980 4.341 1.00 0.00 H new