USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 862 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 101 HIS :FLIP no HD1:sc= -0.895 F(o=-0.51,f=0.29) USER MOD Set 1.2: A 104 SER OG : rot -55:sc= 1.19 USER MOD Set 2.1: A 46 GLN : amide:sc= -0.101 K(o=-0.11,f=-4) USER MOD Set 2.2: A 109 MET CE :methyl -173:sc=-0.00723 (180deg=0) USER MOD Single : A 0 MET CE :methyl -167:sc= 0 (180deg=-0.108) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -170:sc= 0.00157 USER MOD Single : A 6 GLN : amide:sc= -1.77 X(o=-1.8,f=-1.7) USER MOD Single : A -1 HIS : no HE2:sc= 0.423 K(o=0.42,f=-3.9!) USER MOD Single : A -2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -3 HIS : no HE2:sc= -1.76 K(o=-1.8,f=-2.3!) USER MOD Single : A -4 HIS : no HD1:sc= -0.375 X(o=-0.37,f=-0.0041) USER MOD Single : A -5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -6 HIS :FLIP no HE2:sc= 0.0271 F(o=-0.51,f=0.027) USER MOD Single : A -8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -8 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 177:sc= 0.109 USER MOD Single : A 14 GLN : amide:sc= -0.0589 K(o=-0.059,f=-0.89) USER MOD Single : A 16 GLN : amide:sc= -0.591 K(o=-0.59,f=-2.5!) USER MOD Single : A 17 THR OG1 : rot 74:sc= 1.24 USER MOD Single : A 20 TYR OH : rot 7:sc= -1.27 USER MOD Single : A 24 HIS : no HD1:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.131 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 50:sc= -0.846 USER MOD Single : A 39 CYS SG : rot 150:sc= -1.38 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0675 K(o=-0.067,f=-2.5) USER MOD Single : A 64 THR OG1 : rot 87:sc= 1.17 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0.0344 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= -0.369 X(o=-0.37,f=-0.79) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -8 0.388 -4.755 16.115 1.00 0.00 N ATOM 2 CA MET A -8 0.219 -6.212 16.365 1.00 0.00 C ATOM 3 C MET A -8 1.185 -7.033 15.517 1.00 0.00 C ATOM 4 O MET A -8 1.893 -7.899 16.028 1.00 0.00 O ATOM 5 CB MET A -8 -1.226 -6.597 16.044 1.00 0.00 C ATOM 6 CG MET A -8 -1.806 -7.629 16.995 1.00 0.00 C ATOM 7 SD MET A -8 -2.882 -8.814 16.164 1.00 0.00 S ATOM 8 CE MET A -8 -4.253 -7.759 15.700 1.00 0.00 C ATOM 0 H1 MET A -8 -0.282 -4.222 16.705 1.00 0.00 H new ATOM 0 H2 MET A -8 1.360 -4.472 16.353 1.00 0.00 H new ATOM 0 H3 MET A -8 0.204 -4.551 15.112 1.00 0.00 H new ATOM 0 HA MET A -8 0.441 -6.424 17.411 1.00 0.00 H new ATOM 0 HB2 MET A -8 -1.846 -5.701 16.071 1.00 0.00 H new ATOM 0 HB3 MET A -8 -1.272 -6.986 15.027 1.00 0.00 H new ATOM 0 HG2 MET A -8 -0.992 -8.164 17.484 1.00 0.00 H new ATOM 0 HG3 MET A -8 -2.369 -7.120 17.778 1.00 0.00 H new ATOM 0 HE1 MET A -8 -5.004 -8.349 15.175 1.00 0.00 H new ATOM 0 HE2 MET A -8 -4.695 -7.322 16.595 1.00 0.00 H new ATOM 0 HE3 MET A -8 -3.895 -6.963 15.047 1.00 0.00 H new ATOM 20 N GLY A -7 1.206 -6.754 14.216 1.00 0.00 N ATOM 21 CA GLY A -7 2.088 -7.476 13.319 1.00 0.00 C ATOM 22 C GLY A -7 1.394 -7.895 12.037 1.00 0.00 C ATOM 23 O GLY A -7 0.256 -7.502 11.783 1.00 0.00 O ATOM 0 H GLY A -7 0.629 -6.042 13.769 1.00 0.00 H new ATOM 0 HA2 GLY A -7 2.946 -6.850 13.076 1.00 0.00 H new ATOM 0 HA3 GLY A -7 2.473 -8.361 13.826 1.00 0.00 H new ATOM 27 N HIS A -6 2.083 -8.694 11.229 1.00 0.00 N ATOM 28 CA HIS A -6 1.526 -9.167 9.966 1.00 0.00 C ATOM 29 C HIS A -6 2.246 -10.426 9.492 1.00 0.00 C ATOM 30 O HIS A -6 3.373 -10.360 9.005 1.00 0.00 O ATOM 31 CB HIS A -6 1.627 -8.075 8.900 1.00 0.00 C ATOM 32 CG HIS A -6 0.890 -8.401 7.638 1.00 0.00 C ATOM 33 ND1 HIS A -6 1.210 -9.225 6.612 1.00 0.00 N flip ATOM 34 CD2 HIS A -6 -0.333 -7.852 7.317 1.00 0.00 C flip ATOM 35 CE1 HIS A -6 0.185 -9.159 5.701 1.00 0.00 C flip ATOM 36 NE2 HIS A -6 -0.734 -8.324 6.150 1.00 0.00 N flip ATOM 0 H HIS A -6 3.027 -9.027 11.425 1.00 0.00 H new ATOM 0 HA HIS A -6 0.476 -9.410 10.128 1.00 0.00 H new ATOM 0 HB2 HIS A -6 1.237 -7.143 9.308 1.00 0.00 H new ATOM 0 HB3 HIS A -6 2.677 -7.905 8.664 1.00 0.00 H new ATOM 0 HD1 HIS A -6 2.056 -9.790 6.531 1.00 0.00 H new ATOM 0 HD2 HIS A -6 -0.879 -7.146 7.925 1.00 0.00 H new ATOM 0 HE1 HIS A -6 0.138 -9.702 4.769 1.00 0.00 H new ATOM 45 N HIS A -5 1.585 -11.569 9.637 1.00 0.00 N ATOM 46 CA HIS A -5 2.162 -12.843 9.223 1.00 0.00 C ATOM 47 C HIS A -5 2.448 -12.849 7.725 1.00 0.00 C ATOM 48 O HIS A -5 1.900 -12.041 6.975 1.00 0.00 O ATOM 49 CB HIS A -5 1.221 -13.994 9.580 1.00 0.00 C ATOM 50 CG HIS A -5 1.067 -14.205 11.053 1.00 0.00 C ATOM 51 ND1 HIS A -5 -0.015 -13.741 11.772 1.00 0.00 N ATOM 52 CD2 HIS A -5 1.867 -14.835 11.948 1.00 0.00 C ATOM 53 CE1 HIS A -5 0.125 -14.076 13.043 1.00 0.00 C ATOM 54 NE2 HIS A -5 1.258 -14.739 13.176 1.00 0.00 N ATOM 0 H HIS A -5 0.650 -11.640 10.038 1.00 0.00 H new ATOM 0 HA HIS A -5 3.104 -12.977 9.755 1.00 0.00 H new ATOM 0 HB2 HIS A -5 0.241 -13.800 9.145 1.00 0.00 H new ATOM 0 HB3 HIS A -5 1.595 -14.912 9.127 1.00 0.00 H new ATOM 0 HD2 HIS A -5 2.807 -15.322 11.735 1.00 0.00 H new ATOM 0 HE1 HIS A -5 -0.570 -13.846 13.837 1.00 0.00 H new ATOM 0 HE2 HIS A -5 1.623 -15.119 14.049 1.00 0.00 H new ATOM 63 N HIS A -4 3.308 -13.766 7.296 1.00 0.00 N ATOM 64 CA HIS A -4 3.666 -13.878 5.886 1.00 0.00 C ATOM 65 C HIS A -4 4.311 -12.589 5.384 1.00 0.00 C ATOM 66 O HIS A -4 4.619 -11.693 6.169 1.00 0.00 O ATOM 67 CB HIS A -4 2.428 -14.206 5.048 1.00 0.00 C ATOM 68 CG HIS A -4 2.662 -15.274 4.026 1.00 0.00 C ATOM 69 ND1 HIS A -4 2.685 -16.618 4.332 1.00 0.00 N ATOM 70 CD2 HIS A -4 2.882 -15.191 2.692 1.00 0.00 C ATOM 71 CE1 HIS A -4 2.910 -17.315 3.233 1.00 0.00 C ATOM 72 NE2 HIS A -4 3.033 -16.473 2.223 1.00 0.00 N ATOM 0 H HIS A -4 3.770 -14.442 7.904 1.00 0.00 H new ATOM 0 HA HIS A -4 4.389 -14.687 5.783 1.00 0.00 H new ATOM 0 HB2 HIS A -4 1.623 -14.520 5.712 1.00 0.00 H new ATOM 0 HB3 HIS A -4 2.090 -13.300 4.544 1.00 0.00 H new ATOM 0 HD2 HIS A -4 2.930 -14.285 2.106 1.00 0.00 H new ATOM 0 HE1 HIS A -4 2.981 -18.391 3.171 1.00 0.00 H new ATOM 0 HE2 HIS A -4 3.211 -16.733 1.253 1.00 0.00 H new ATOM 81 N HIS A -3 4.510 -12.505 4.073 1.00 0.00 N ATOM 82 CA HIS A -3 5.117 -11.326 3.465 1.00 0.00 C ATOM 83 C HIS A -3 6.550 -11.136 3.953 1.00 0.00 C ATOM 84 O HIS A -3 6.847 -11.339 5.131 1.00 0.00 O ATOM 85 CB HIS A -3 4.289 -10.078 3.778 1.00 0.00 C ATOM 86 CG HIS A -3 4.497 -8.962 2.804 1.00 0.00 C ATOM 87 ND1 HIS A -3 5.527 -8.049 2.911 1.00 0.00 N ATOM 88 CD2 HIS A -3 3.801 -8.610 1.696 1.00 0.00 C ATOM 89 CE1 HIS A -3 5.454 -7.187 1.913 1.00 0.00 C ATOM 90 NE2 HIS A -3 4.417 -7.505 1.162 1.00 0.00 N ATOM 0 H HIS A -3 4.260 -13.239 3.411 1.00 0.00 H new ATOM 0 HA HIS A -3 5.138 -11.477 2.386 1.00 0.00 H new ATOM 0 HB2 HIS A -3 3.233 -10.347 3.790 1.00 0.00 H new ATOM 0 HB3 HIS A -3 4.540 -9.727 4.779 1.00 0.00 H new ATOM 0 HD1 HIS A -3 6.234 -8.041 3.646 1.00 0.00 H new ATOM 0 HD2 HIS A -3 2.925 -9.106 1.306 1.00 0.00 H new ATOM 0 HE1 HIS A -3 6.129 -6.362 1.741 1.00 0.00 H new ATOM 99 N HIS A -2 7.433 -10.748 3.040 1.00 0.00 N ATOM 100 CA HIS A -2 8.836 -10.531 3.377 1.00 0.00 C ATOM 101 C HIS A -2 9.363 -9.259 2.719 1.00 0.00 C ATOM 102 O HIS A -2 9.738 -8.305 3.400 1.00 0.00 O ATOM 103 CB HIS A -2 9.679 -11.730 2.942 1.00 0.00 C ATOM 104 CG HIS A -2 9.650 -12.868 3.916 1.00 0.00 C ATOM 105 ND1 HIS A -2 10.606 -13.046 4.894 1.00 0.00 N ATOM 106 CD2 HIS A -2 8.771 -13.889 4.061 1.00 0.00 C ATOM 107 CE1 HIS A -2 10.318 -14.128 5.597 1.00 0.00 C ATOM 108 NE2 HIS A -2 9.210 -14.656 5.112 1.00 0.00 N ATOM 0 H HIS A -2 7.203 -10.577 2.061 1.00 0.00 H new ATOM 0 HA HIS A -2 8.910 -10.417 4.459 1.00 0.00 H new ATOM 0 HB2 HIS A -2 9.323 -12.082 1.974 1.00 0.00 H new ATOM 0 HB3 HIS A -2 10.711 -11.407 2.804 1.00 0.00 H new ATOM 0 HD2 HIS A -2 7.890 -14.066 3.462 1.00 0.00 H new ATOM 0 HE1 HIS A -2 10.892 -14.514 6.427 1.00 0.00 H new ATOM 0 HE2 HIS A -2 8.753 -15.498 5.462 1.00 0.00 H new ATOM 117 N HIS A -1 9.388 -9.255 1.391 1.00 0.00 N ATOM 118 CA HIS A -1 9.869 -8.102 0.639 1.00 0.00 C ATOM 119 C HIS A -1 8.854 -7.678 -0.418 1.00 0.00 C ATOM 120 O HIS A -1 7.964 -8.447 -0.782 1.00 0.00 O ATOM 121 CB HIS A -1 11.208 -8.422 -0.027 1.00 0.00 C ATOM 122 CG HIS A -1 12.348 -8.520 0.939 1.00 0.00 C ATOM 123 ND1 HIS A -1 12.238 -8.172 2.269 1.00 0.00 N ATOM 124 CD2 HIS A -1 13.626 -8.930 0.763 1.00 0.00 C ATOM 125 CE1 HIS A -1 13.400 -8.363 2.869 1.00 0.00 C ATOM 126 NE2 HIS A -1 14.259 -8.823 1.979 1.00 0.00 N ATOM 0 H HIS A -1 9.081 -10.037 0.813 1.00 0.00 H new ATOM 0 HA HIS A -1 10.006 -7.277 1.339 1.00 0.00 H new ATOM 0 HB2 HIS A -1 11.119 -9.364 -0.569 1.00 0.00 H new ATOM 0 HB3 HIS A -1 11.432 -7.650 -0.764 1.00 0.00 H new ATOM 0 HD1 HIS A -1 11.392 -7.822 2.719 1.00 0.00 H new ATOM 0 HD2 HIS A -1 14.066 -9.277 -0.160 1.00 0.00 H new ATOM 0 HE1 HIS A -1 13.611 -8.175 3.911 1.00 0.00 H new ATOM 135 N MET A 0 8.992 -6.448 -0.903 1.00 0.00 N ATOM 136 CA MET A 0 8.086 -5.921 -1.918 1.00 0.00 C ATOM 137 C MET A 0 6.650 -5.896 -1.404 1.00 0.00 C ATOM 138 O MET A 0 5.934 -6.894 -1.481 1.00 0.00 O ATOM 139 CB MET A 0 8.172 -6.761 -3.195 1.00 0.00 C ATOM 140 CG MET A 0 8.853 -6.041 -4.348 1.00 0.00 C ATOM 141 SD MET A 0 9.512 -7.180 -5.583 1.00 0.00 S ATOM 142 CE MET A 0 10.981 -7.771 -4.747 1.00 0.00 C ATOM 0 H MET A 0 9.722 -5.798 -0.610 1.00 0.00 H new ATOM 0 HA MET A 0 8.388 -4.899 -2.145 1.00 0.00 H new ATOM 0 HB2 MET A 0 8.715 -7.681 -2.980 1.00 0.00 H new ATOM 0 HB3 MET A 0 7.166 -7.049 -3.500 1.00 0.00 H new ATOM 0 HG2 MET A 0 8.140 -5.368 -4.824 1.00 0.00 H new ATOM 0 HG3 MET A 0 9.663 -5.424 -3.959 1.00 0.00 H new ATOM 0 HE1 MET A 0 11.617 -8.299 -5.458 1.00 0.00 H new ATOM 0 HE2 MET A 0 11.527 -6.925 -4.330 1.00 0.00 H new ATOM 0 HE3 MET A 0 10.694 -8.449 -3.944 1.00 0.00 H new ATOM 152 N GLY A 1 6.236 -4.747 -0.881 1.00 0.00 N ATOM 153 CA GLY A 1 4.889 -4.610 -0.361 1.00 0.00 C ATOM 154 C GLY A 1 4.536 -3.171 -0.041 1.00 0.00 C ATOM 155 O GLY A 1 3.819 -2.899 0.922 1.00 0.00 O ATOM 0 H GLY A 1 6.810 -3.907 -0.808 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.180 -5.002 -1.090 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.787 -5.215 0.540 1.00 0.00 H new ATOM 159 N SER A 2 5.043 -2.248 -0.851 1.00 0.00 N ATOM 160 CA SER A 2 4.780 -0.827 -0.652 1.00 0.00 C ATOM 161 C SER A 2 4.389 -0.156 -1.964 1.00 0.00 C ATOM 162 O SER A 2 3.418 0.599 -2.022 1.00 0.00 O ATOM 163 CB SER A 2 6.012 -0.137 -0.061 1.00 0.00 C ATOM 164 OG SER A 2 6.619 -0.942 0.935 1.00 0.00 O ATOM 0 H SER A 2 5.639 -2.458 -1.652 1.00 0.00 H new ATOM 0 HA SER A 2 3.948 -0.732 0.046 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.731 0.071 -0.853 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.724 0.823 0.368 1.00 0.00 H new ATOM 0 HG SER A 2 7.404 -0.480 1.295 1.00 0.00 H new ATOM 170 N ALA A 3 5.151 -0.436 -3.015 1.00 0.00 N ATOM 171 CA ALA A 3 4.885 0.140 -4.328 1.00 0.00 C ATOM 172 C ALA A 3 3.935 -0.740 -5.133 1.00 0.00 C ATOM 173 O ALA A 3 3.166 -0.247 -5.958 1.00 0.00 O ATOM 174 CB ALA A 3 6.186 0.346 -5.088 1.00 0.00 C ATOM 0 H ALA A 3 5.958 -1.059 -2.984 1.00 0.00 H new ATOM 0 HA ALA A 3 4.405 1.108 -4.181 1.00 0.00 H new ATOM 0 HB1 ALA A 3 5.972 0.777 -6.066 1.00 0.00 H new ATOM 0 HB2 ALA A 3 6.832 1.022 -4.528 1.00 0.00 H new ATOM 0 HB3 ALA A 3 6.688 -0.613 -5.216 1.00 0.00 H new ATOM 180 N GLY A 4 3.994 -2.044 -4.886 1.00 0.00 N ATOM 181 CA GLY A 4 3.134 -2.972 -5.597 1.00 0.00 C ATOM 182 C GLY A 4 1.752 -3.073 -4.978 1.00 0.00 C ATOM 183 O GLY A 4 0.779 -3.381 -5.666 1.00 0.00 O ATOM 0 H GLY A 4 4.621 -2.475 -4.207 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.041 -2.654 -6.635 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.598 -3.958 -5.606 1.00 0.00 H new ATOM 187 N THR A 5 1.669 -2.817 -3.676 1.00 0.00 N ATOM 188 CA THR A 5 0.397 -2.882 -2.965 1.00 0.00 C ATOM 189 C THR A 5 -0.374 -1.573 -3.104 1.00 0.00 C ATOM 190 O THR A 5 -1.582 -1.573 -3.338 1.00 0.00 O ATOM 191 CB THR A 5 0.631 -3.195 -1.487 1.00 0.00 C ATOM 192 OG1 THR A 5 1.427 -2.191 -0.882 1.00 0.00 O ATOM 193 CG2 THR A 5 1.317 -4.525 -1.258 1.00 0.00 C ATOM 0 H THR A 5 2.466 -2.563 -3.093 1.00 0.00 H new ATOM 0 HA THR A 5 -0.198 -3.680 -3.409 1.00 0.00 H new ATOM 0 HB THR A 5 -0.362 -3.235 -1.039 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.698 -2.483 0.013 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.453 -4.685 -0.188 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.704 -5.326 -1.670 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.289 -4.522 -1.751 1.00 0.00 H new ATOM 201 N GLN A 6 0.334 -0.459 -2.956 1.00 0.00 N ATOM 202 CA GLN A 6 -0.280 0.859 -3.063 1.00 0.00 C ATOM 203 C GLN A 6 -0.833 1.096 -4.465 1.00 0.00 C ATOM 204 O GLN A 6 -1.840 1.783 -4.637 1.00 0.00 O ATOM 205 CB GLN A 6 0.735 1.948 -2.712 1.00 0.00 C ATOM 206 CG GLN A 6 0.099 3.236 -2.215 1.00 0.00 C ATOM 207 CD GLN A 6 1.067 4.402 -2.218 1.00 0.00 C ATOM 208 OE1 GLN A 6 1.553 4.819 -3.269 1.00 0.00 O ATOM 209 NE2 GLN A 6 1.353 4.936 -1.036 1.00 0.00 N ATOM 0 H GLN A 6 1.335 -0.443 -2.761 1.00 0.00 H new ATOM 0 HA GLN A 6 -1.109 0.901 -2.356 1.00 0.00 H new ATOM 0 HB2 GLN A 6 1.412 1.568 -1.947 1.00 0.00 H new ATOM 0 HB3 GLN A 6 1.339 2.167 -3.592 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.759 3.479 -2.842 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -0.278 3.084 -1.204 1.00 0.00 H new ATOM 0 HE21 GLN A 6 0.927 4.559 -0.189 1.00 0.00 H new ATOM 0 HE22 GLN A 6 1.998 5.723 -0.975 1.00 0.00 H new ATOM 218 N GLU A 7 -0.165 0.528 -5.464 1.00 0.00 N ATOM 219 CA GLU A 7 -0.586 0.684 -6.852 1.00 0.00 C ATOM 220 C GLU A 7 -1.970 0.080 -7.078 1.00 0.00 C ATOM 221 O GLU A 7 -2.834 0.703 -7.695 1.00 0.00 O ATOM 222 CB GLU A 7 0.428 0.027 -7.790 1.00 0.00 C ATOM 223 CG GLU A 7 1.690 0.849 -7.993 1.00 0.00 C ATOM 224 CD GLU A 7 1.570 1.824 -9.149 1.00 0.00 C ATOM 225 OE1 GLU A 7 1.070 2.946 -8.930 1.00 0.00 O ATOM 226 OE2 GLU A 7 1.981 1.463 -10.273 1.00 0.00 O ATOM 0 H GLU A 7 0.670 -0.044 -5.338 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.638 1.751 -7.070 1.00 0.00 H new ATOM 0 HB2 GLU A 7 0.701 -0.950 -7.390 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.043 -0.145 -8.758 1.00 0.00 H new ATOM 0 HG2 GLU A 7 1.911 1.400 -7.079 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.531 0.179 -8.173 1.00 0.00 H new ATOM 233 N GLU A 8 -2.172 -1.135 -6.579 1.00 0.00 N ATOM 234 CA GLU A 8 -3.453 -1.817 -6.733 1.00 0.00 C ATOM 235 C GLU A 8 -4.552 -1.097 -5.958 1.00 0.00 C ATOM 236 O GLU A 8 -5.715 -1.104 -6.360 1.00 0.00 O ATOM 237 CB GLU A 8 -3.346 -3.270 -6.263 1.00 0.00 C ATOM 238 CG GLU A 8 -3.011 -3.412 -4.787 1.00 0.00 C ATOM 239 CD GLU A 8 -3.466 -4.739 -4.213 1.00 0.00 C ATOM 240 OE1 GLU A 8 -3.111 -5.788 -4.790 1.00 0.00 O ATOM 241 OE2 GLU A 8 -4.177 -4.729 -3.185 1.00 0.00 O ATOM 0 H GLU A 8 -1.468 -1.666 -6.066 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.714 -1.806 -7.791 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.290 -3.778 -6.463 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.581 -3.777 -6.851 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.934 -3.311 -4.651 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.480 -2.600 -4.232 1.00 0.00 H new ATOM 248 N LEU A 9 -4.175 -0.476 -4.844 1.00 0.00 N ATOM 249 CA LEU A 9 -5.132 0.248 -4.013 1.00 0.00 C ATOM 250 C LEU A 9 -5.678 1.468 -4.749 1.00 0.00 C ATOM 251 O LEU A 9 -6.889 1.690 -4.790 1.00 0.00 O ATOM 252 CB LEU A 9 -4.476 0.682 -2.701 1.00 0.00 C ATOM 253 CG LEU A 9 -5.444 1.151 -1.616 1.00 0.00 C ATOM 254 CD1 LEU A 9 -6.029 -0.039 -0.871 1.00 0.00 C ATOM 255 CD2 LEU A 9 -4.744 2.096 -0.650 1.00 0.00 C ATOM 0 H LEU A 9 -3.216 -0.459 -4.496 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.962 -0.423 -3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.894 -0.153 -2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.774 1.489 -2.913 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.261 1.691 -2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.716 0.315 -0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.566 -0.678 -1.571 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.224 -0.608 -0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.448 2.420 0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.907 1.580 -0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.375 2.965 -1.195 1.00 0.00 H new ATOM 267 N LEU A 10 -4.779 2.256 -5.328 1.00 0.00 N ATOM 268 CA LEU A 10 -5.170 3.454 -6.061 1.00 0.00 C ATOM 269 C LEU A 10 -6.048 3.099 -7.257 1.00 0.00 C ATOM 270 O LEU A 10 -6.962 3.842 -7.613 1.00 0.00 O ATOM 271 CB LEU A 10 -3.930 4.216 -6.533 1.00 0.00 C ATOM 272 CG LEU A 10 -3.404 5.267 -5.552 1.00 0.00 C ATOM 273 CD1 LEU A 10 -1.884 5.292 -5.561 1.00 0.00 C ATOM 274 CD2 LEU A 10 -3.965 6.639 -5.893 1.00 0.00 C ATOM 0 H LEU A 10 -3.773 2.086 -5.304 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.745 4.090 -5.387 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.135 3.498 -6.733 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.162 4.707 -7.478 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.735 5.000 -4.549 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.528 6.045 -4.858 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.502 4.314 -5.269 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.530 5.535 -6.563 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.581 7.375 -5.186 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.663 6.915 -6.903 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.053 6.612 -5.834 1.00 0.00 H new ATOM 286 N ARG A 11 -5.763 1.956 -7.872 1.00 0.00 N ATOM 287 CA ARG A 11 -6.526 1.500 -9.030 1.00 0.00 C ATOM 288 C ARG A 11 -7.974 1.212 -8.648 1.00 0.00 C ATOM 289 O ARG A 11 -8.899 1.535 -9.393 1.00 0.00 O ATOM 290 CB ARG A 11 -5.884 0.246 -9.627 1.00 0.00 C ATOM 291 CG ARG A 11 -4.601 0.527 -10.394 1.00 0.00 C ATOM 292 CD ARG A 11 -4.777 0.291 -11.886 1.00 0.00 C ATOM 293 NE ARG A 11 -3.689 0.880 -12.665 1.00 0.00 N ATOM 294 CZ ARG A 11 -3.470 0.614 -13.950 1.00 0.00 C ATOM 295 NH1 ARG A 11 -4.258 -0.230 -14.604 1.00 0.00 N ATOM 296 NH2 ARG A 11 -2.458 1.192 -14.582 1.00 0.00 N ATOM 0 H ARG A 11 -5.010 1.329 -7.589 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.518 2.295 -9.776 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.671 -0.460 -8.825 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.599 -0.236 -10.294 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.292 1.558 -10.222 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.803 -0.112 -10.016 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.824 -0.780 -12.081 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.727 0.716 -12.211 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.061 1.533 -12.196 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.037 -0.679 -14.122 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.085 -0.430 -15.589 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.848 1.840 -14.083 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.289 0.989 -15.567 1.00 0.00 H new ATOM 310 N TRP A 12 -8.164 0.601 -7.484 1.00 0.00 N ATOM 311 CA TRP A 12 -9.499 0.267 -7.003 1.00 0.00 C ATOM 312 C TRP A 12 -10.291 1.527 -6.666 1.00 0.00 C ATOM 313 O TRP A 12 -11.475 1.631 -6.985 1.00 0.00 O ATOM 314 CB TRP A 12 -9.408 -0.636 -5.770 1.00 0.00 C ATOM 315 CG TRP A 12 -10.743 -1.093 -5.267 1.00 0.00 C ATOM 316 CD1 TRP A 12 -11.510 -2.101 -5.774 1.00 0.00 C ATOM 317 CD2 TRP A 12 -11.471 -0.554 -4.156 1.00 0.00 C ATOM 318 NE1 TRP A 12 -12.669 -2.225 -5.048 1.00 0.00 N ATOM 319 CE2 TRP A 12 -12.669 -1.286 -4.049 1.00 0.00 C ATOM 320 CE3 TRP A 12 -11.226 0.474 -3.242 1.00 0.00 C ATOM 321 CZ2 TRP A 12 -13.618 -1.022 -3.065 1.00 0.00 C ATOM 322 CZ3 TRP A 12 -12.170 0.735 -2.265 1.00 0.00 C ATOM 323 CH2 TRP A 12 -13.352 -0.010 -2.184 1.00 0.00 C ATOM 0 H TRP A 12 -7.409 0.327 -6.855 1.00 0.00 H new ATOM 0 HA TRP A 12 -10.020 -0.265 -7.799 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -8.801 -1.509 -6.012 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -8.892 -0.100 -4.973 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -11.244 -2.713 -6.623 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -13.409 -2.905 -5.223 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.317 1.054 -3.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.531 -1.595 -3.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -11.992 1.527 -1.553 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.069 0.219 -1.410 1.00 0.00 H new ATOM 334 N CYS A 13 -9.630 2.479 -6.017 1.00 0.00 N ATOM 335 CA CYS A 13 -10.276 3.730 -5.634 1.00 0.00 C ATOM 336 C CYS A 13 -10.735 4.509 -6.864 1.00 0.00 C ATOM 337 O CYS A 13 -11.855 5.016 -6.906 1.00 0.00 O ATOM 338 CB CYS A 13 -9.319 4.588 -4.804 1.00 0.00 C ATOM 339 SG CYS A 13 -10.145 5.789 -3.733 1.00 0.00 S ATOM 0 H CYS A 13 -8.649 2.409 -5.745 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.152 3.486 -5.034 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -8.701 3.933 -4.189 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -8.647 5.120 -5.478 1.00 0.00 H new ATOM 0 HG CYS A 13 -9.257 6.424 -3.028 1.00 0.00 H new ATOM 345 N GLN A 14 -9.862 4.600 -7.861 1.00 0.00 N ATOM 346 CA GLN A 14 -10.179 5.319 -9.089 1.00 0.00 C ATOM 347 C GLN A 14 -11.362 4.677 -9.809 1.00 0.00 C ATOM 348 O GLN A 14 -12.232 5.371 -10.335 1.00 0.00 O ATOM 349 CB GLN A 14 -8.962 5.356 -10.015 1.00 0.00 C ATOM 350 CG GLN A 14 -9.136 6.276 -11.212 1.00 0.00 C ATOM 351 CD GLN A 14 -8.533 5.703 -12.479 1.00 0.00 C ATOM 352 OE1 GLN A 14 -7.653 4.844 -12.429 1.00 0.00 O ATOM 353 NE2 GLN A 14 -9.006 6.179 -13.626 1.00 0.00 N ATOM 0 H GLN A 14 -8.930 4.185 -7.843 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.452 6.339 -8.820 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.091 5.677 -9.444 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -8.755 4.346 -10.370 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -10.198 6.462 -11.371 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.672 7.239 -10.996 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.736 6.891 -13.620 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.639 5.832 -14.512 1.00 0.00 H new ATOM 362 N GLU A 15 -11.389 3.348 -9.827 1.00 0.00 N ATOM 363 CA GLU A 15 -12.469 2.616 -10.482 1.00 0.00 C ATOM 364 C GLU A 15 -13.793 2.840 -9.757 1.00 0.00 C ATOM 365 O GLU A 15 -14.820 3.094 -10.385 1.00 0.00 O ATOM 366 CB GLU A 15 -12.143 1.123 -10.530 1.00 0.00 C ATOM 367 CG GLU A 15 -12.663 0.428 -11.777 1.00 0.00 C ATOM 368 CD GLU A 15 -11.702 -0.622 -12.302 1.00 0.00 C ATOM 369 OE1 GLU A 15 -11.620 -1.709 -11.692 1.00 0.00 O ATOM 370 OE2 GLU A 15 -11.033 -0.358 -13.322 1.00 0.00 O ATOM 0 H GLU A 15 -10.678 2.757 -9.397 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.567 2.991 -11.501 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.062 0.993 -10.476 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.567 0.638 -9.650 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.622 -0.041 -11.554 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.844 1.171 -12.554 1.00 0.00 H new ATOM 377 N GLN A 16 -13.759 2.742 -8.432 1.00 0.00 N ATOM 378 CA GLN A 16 -14.956 2.933 -7.620 1.00 0.00 C ATOM 379 C GLN A 16 -15.431 4.381 -7.682 1.00 0.00 C ATOM 380 O GLN A 16 -16.624 4.658 -7.551 1.00 0.00 O ATOM 381 CB GLN A 16 -14.681 2.535 -6.168 1.00 0.00 C ATOM 382 CG GLN A 16 -15.876 1.901 -5.475 1.00 0.00 C ATOM 383 CD GLN A 16 -16.298 0.595 -6.121 1.00 0.00 C ATOM 384 OE1 GLN A 16 -16.922 0.588 -7.183 1.00 0.00 O ATOM 385 NE2 GLN A 16 -15.961 -0.519 -5.483 1.00 0.00 N ATOM 0 H GLN A 16 -12.916 2.532 -7.898 1.00 0.00 H new ATOM 0 HA GLN A 16 -15.743 2.295 -8.022 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -13.845 1.837 -6.144 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -14.374 3.419 -5.609 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -15.632 1.722 -4.428 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -16.714 2.598 -5.492 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -15.444 -0.468 -4.605 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -16.219 -1.427 -5.870 1.00 0.00 H new ATOM 394 N THR A 17 -14.492 5.300 -7.881 1.00 0.00 N ATOM 395 CA THR A 17 -14.816 6.721 -7.958 1.00 0.00 C ATOM 396 C THR A 17 -15.163 7.136 -9.388 1.00 0.00 C ATOM 397 O THR A 17 -15.329 8.321 -9.674 1.00 0.00 O ATOM 398 CB THR A 17 -13.644 7.557 -7.444 1.00 0.00 C ATOM 399 OG1 THR A 17 -13.291 7.170 -6.129 1.00 0.00 O ATOM 400 CG2 THR A 17 -13.931 9.042 -7.426 1.00 0.00 C ATOM 0 H THR A 17 -13.501 5.087 -7.992 1.00 0.00 H new ATOM 0 HA THR A 17 -15.690 6.899 -7.331 1.00 0.00 H new ATOM 0 HB THR A 17 -12.828 7.371 -8.142 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.820 6.311 -6.156 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.058 9.577 -7.051 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.157 9.381 -8.437 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.784 9.240 -6.777 1.00 0.00 H new ATOM 408 N ALA A 18 -15.272 6.158 -10.286 1.00 0.00 N ATOM 409 CA ALA A 18 -15.599 6.435 -11.679 1.00 0.00 C ATOM 410 C ALA A 18 -17.099 6.639 -11.860 1.00 0.00 C ATOM 411 O ALA A 18 -17.905 5.826 -11.407 1.00 0.00 O ATOM 412 CB ALA A 18 -15.107 5.305 -12.571 1.00 0.00 C ATOM 0 H ALA A 18 -15.139 5.170 -10.072 1.00 0.00 H new ATOM 0 HA ALA A 18 -15.096 7.357 -11.968 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -15.358 5.525 -13.609 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -14.026 5.208 -12.472 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -15.584 4.372 -12.272 1.00 0.00 H new ATOM 418 N GLY A 19 -17.468 7.729 -12.525 1.00 0.00 N ATOM 419 CA GLY A 19 -18.872 8.018 -12.753 1.00 0.00 C ATOM 420 C GLY A 19 -19.168 9.506 -12.756 1.00 0.00 C ATOM 421 O GLY A 19 -20.147 9.949 -13.357 1.00 0.00 O ATOM 0 H GLY A 19 -16.821 8.417 -12.910 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -19.177 7.589 -13.707 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -19.469 7.534 -11.980 1.00 0.00 H new ATOM 425 N TYR A 20 -18.322 10.279 -12.082 1.00 0.00 N ATOM 426 CA TYR A 20 -18.501 11.724 -12.009 1.00 0.00 C ATOM 427 C TYR A 20 -17.778 12.419 -13.164 1.00 0.00 C ATOM 428 O TYR A 20 -16.565 12.274 -13.319 1.00 0.00 O ATOM 429 CB TYR A 20 -17.979 12.251 -10.671 1.00 0.00 C ATOM 430 CG TYR A 20 -18.452 11.446 -9.480 1.00 0.00 C ATOM 431 CD1 TYR A 20 -17.850 10.239 -9.149 1.00 0.00 C ATOM 432 CD2 TYR A 20 -19.508 11.889 -8.692 1.00 0.00 C ATOM 433 CE1 TYR A 20 -18.283 9.498 -8.067 1.00 0.00 C ATOM 434 CE2 TYR A 20 -19.947 11.153 -7.609 1.00 0.00 C ATOM 435 CZ TYR A 20 -19.331 9.958 -7.301 1.00 0.00 C ATOM 436 OH TYR A 20 -19.767 9.222 -6.225 1.00 0.00 O ATOM 0 H TYR A 20 -17.507 9.929 -11.579 1.00 0.00 H new ATOM 0 HA TYR A 20 -19.566 11.943 -12.088 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -16.889 12.251 -10.690 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -18.296 13.287 -10.549 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -17.029 9.874 -9.748 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -19.993 12.824 -8.931 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -17.802 8.562 -7.823 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -20.768 11.511 -7.006 1.00 0.00 H new ATOM 0 HH TYR A 20 -19.157 8.470 -6.074 1.00 0.00 H new ATOM 446 N PRO A 21 -18.511 13.181 -14.001 1.00 0.00 N ATOM 447 CA PRO A 21 -17.924 13.889 -15.148 1.00 0.00 C ATOM 448 C PRO A 21 -16.974 15.009 -14.724 1.00 0.00 C ATOM 449 O PRO A 21 -17.211 16.181 -15.018 1.00 0.00 O ATOM 450 CB PRO A 21 -19.141 14.473 -15.885 1.00 0.00 C ATOM 451 CG PRO A 21 -20.328 13.769 -15.320 1.00 0.00 C ATOM 452 CD PRO A 21 -19.962 13.407 -13.911 1.00 0.00 C ATOM 0 HA PRO A 21 -17.320 13.220 -15.761 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -19.213 15.550 -15.730 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -19.064 14.310 -16.960 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -21.209 14.410 -15.342 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -20.567 12.879 -15.902 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -20.204 14.207 -13.212 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -20.490 12.516 -13.572 1.00 0.00 H new ATOM 460 N GLY A 22 -15.899 14.642 -14.036 1.00 0.00 N ATOM 461 CA GLY A 22 -14.933 15.629 -13.590 1.00 0.00 C ATOM 462 C GLY A 22 -14.243 15.223 -12.305 1.00 0.00 C ATOM 463 O GLY A 22 -13.992 16.058 -11.437 1.00 0.00 O ATOM 0 H GLY A 22 -15.679 13.680 -13.779 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.185 15.779 -14.369 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.436 16.585 -13.443 1.00 0.00 H new ATOM 467 N VAL A 23 -13.935 13.936 -12.181 1.00 0.00 N ATOM 468 CA VAL A 23 -13.270 13.423 -10.995 1.00 0.00 C ATOM 469 C VAL A 23 -11.951 12.746 -11.353 1.00 0.00 C ATOM 470 O VAL A 23 -11.921 11.782 -12.118 1.00 0.00 O ATOM 471 CB VAL A 23 -14.168 12.420 -10.243 1.00 0.00 C ATOM 472 CG1 VAL A 23 -14.405 11.171 -11.081 1.00 0.00 C ATOM 473 CG2 VAL A 23 -13.558 12.062 -8.897 1.00 0.00 C ATOM 0 H VAL A 23 -14.137 13.231 -12.890 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.068 14.276 -10.347 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.134 12.893 -10.065 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -15.041 10.478 -10.530 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -14.894 11.447 -12.015 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -13.450 10.692 -11.299 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -14.206 11.353 -8.381 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -12.577 11.612 -9.050 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -13.453 12.964 -8.294 1.00 0.00 H new ATOM 483 N HIS A 24 -10.864 13.258 -10.788 1.00 0.00 N ATOM 484 CA HIS A 24 -9.537 12.705 -11.039 1.00 0.00 C ATOM 485 C HIS A 24 -8.997 12.019 -9.790 1.00 0.00 C ATOM 486 O HIS A 24 -8.636 12.678 -8.815 1.00 0.00 O ATOM 487 CB HIS A 24 -8.577 13.810 -11.488 1.00 0.00 C ATOM 488 CG HIS A 24 -8.897 14.368 -12.840 1.00 0.00 C ATOM 489 ND1 HIS A 24 -8.138 15.344 -13.449 1.00 0.00 N ATOM 490 CD2 HIS A 24 -9.901 14.082 -13.701 1.00 0.00 C ATOM 491 CE1 HIS A 24 -8.661 15.636 -14.627 1.00 0.00 C ATOM 492 NE2 HIS A 24 -9.731 14.883 -14.804 1.00 0.00 N ATOM 0 H HIS A 24 -10.875 14.056 -10.152 1.00 0.00 H new ATOM 0 HA HIS A 24 -9.619 11.964 -11.834 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.598 14.618 -10.756 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.561 13.415 -11.498 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -10.689 13.359 -13.549 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -8.279 16.366 -15.325 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -10.334 14.894 -15.627 1.00 0.00 H new ATOM 501 N VAL A 25 -8.952 10.692 -9.820 1.00 0.00 N ATOM 502 CA VAL A 25 -8.463 9.919 -8.686 1.00 0.00 C ATOM 503 C VAL A 25 -7.159 9.203 -9.019 1.00 0.00 C ATOM 504 O VAL A 25 -7.166 8.072 -9.502 1.00 0.00 O ATOM 505 CB VAL A 25 -9.501 8.877 -8.230 1.00 0.00 C ATOM 506 CG1 VAL A 25 -9.067 8.222 -6.927 1.00 0.00 C ATOM 507 CG2 VAL A 25 -10.873 9.519 -8.080 1.00 0.00 C ATOM 0 H VAL A 25 -9.248 10.130 -10.618 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.285 10.629 -7.878 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.568 8.102 -8.994 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.814 7.489 -6.622 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.108 7.724 -7.072 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.968 8.983 -6.153 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.593 8.767 -7.757 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.823 10.316 -7.338 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.187 9.935 -9.038 1.00 0.00 H new ATOM 517 N SER A 26 -6.040 9.868 -8.753 1.00 0.00 N ATOM 518 CA SER A 26 -4.727 9.290 -9.018 1.00 0.00 C ATOM 519 C SER A 26 -3.685 9.822 -8.035 1.00 0.00 C ATOM 520 O SER A 26 -2.483 9.755 -8.295 1.00 0.00 O ATOM 521 CB SER A 26 -4.293 9.592 -10.454 1.00 0.00 C ATOM 522 OG SER A 26 -3.625 8.483 -11.028 1.00 0.00 O ATOM 0 H SER A 26 -6.015 10.807 -8.355 1.00 0.00 H new ATOM 0 HA SER A 26 -4.802 8.210 -8.888 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.166 9.846 -11.055 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.636 10.461 -10.463 1.00 0.00 H new ATOM 0 HG SER A 26 -3.359 8.700 -11.946 1.00 0.00 H new ATOM 528 N ASP A 27 -4.154 10.338 -6.904 1.00 0.00 N ATOM 529 CA ASP A 27 -3.265 10.872 -5.877 1.00 0.00 C ATOM 530 C ASP A 27 -3.741 10.463 -4.487 1.00 0.00 C ATOM 531 O ASP A 27 -4.943 10.421 -4.219 1.00 0.00 O ATOM 532 CB ASP A 27 -3.183 12.397 -5.977 1.00 0.00 C ATOM 533 CG ASP A 27 -2.994 12.876 -7.403 1.00 0.00 C ATOM 534 OD1 ASP A 27 -1.917 12.614 -7.979 1.00 0.00 O ATOM 535 OD2 ASP A 27 -3.922 13.512 -7.943 1.00 0.00 O ATOM 0 H ASP A 27 -5.146 10.398 -6.674 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.271 10.457 -6.040 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.094 12.834 -5.568 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.355 12.754 -5.364 1.00 0.00 H new ATOM 540 N LEU A 28 -2.796 10.160 -3.604 1.00 0.00 N ATOM 541 CA LEU A 28 -3.125 9.754 -2.244 1.00 0.00 C ATOM 542 C LEU A 28 -3.080 10.945 -1.291 1.00 0.00 C ATOM 543 O LEU A 28 -2.659 10.817 -0.141 1.00 0.00 O ATOM 544 CB LEU A 28 -2.159 8.668 -1.766 1.00 0.00 C ATOM 545 CG LEU A 28 -2.419 7.273 -2.338 1.00 0.00 C ATOM 546 CD1 LEU A 28 -1.277 6.331 -1.989 1.00 0.00 C ATOM 547 CD2 LEU A 28 -3.741 6.725 -1.822 1.00 0.00 C ATOM 0 H LEU A 28 -1.797 10.188 -3.806 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.139 9.354 -2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.143 8.967 -2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.207 8.613 -0.678 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.479 7.351 -3.424 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.480 5.344 -2.404 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.347 6.716 -2.407 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.185 6.257 -0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.911 5.732 -2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.709 6.662 -0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.552 7.388 -2.123 1.00 0.00 H new ATOM 559 N SER A 29 -3.518 12.103 -1.777 1.00 0.00 N ATOM 560 CA SER A 29 -3.529 13.314 -0.964 1.00 0.00 C ATOM 561 C SER A 29 -4.353 14.413 -1.630 1.00 0.00 C ATOM 562 O SER A 29 -5.484 14.683 -1.227 1.00 0.00 O ATOM 563 CB SER A 29 -2.099 13.806 -0.727 1.00 0.00 C ATOM 564 OG SER A 29 -2.093 15.128 -0.214 1.00 0.00 O ATOM 0 H SER A 29 -3.869 12.228 -2.727 1.00 0.00 H new ATOM 0 HA SER A 29 -3.988 13.073 -0.005 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.593 13.139 -0.029 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.540 13.773 -1.662 1.00 0.00 H new ATOM 0 HG SER A 29 -1.168 15.419 -0.070 1.00 0.00 H new ATOM 570 N SER A 30 -3.778 15.045 -2.647 1.00 0.00 N ATOM 571 CA SER A 30 -4.457 16.117 -3.369 1.00 0.00 C ATOM 572 C SER A 30 -5.775 15.634 -3.968 1.00 0.00 C ATOM 573 O SER A 30 -6.662 16.435 -4.264 1.00 0.00 O ATOM 574 CB SER A 30 -3.552 16.664 -4.474 1.00 0.00 C ATOM 575 OG SER A 30 -4.253 17.576 -5.303 1.00 0.00 O ATOM 0 H SER A 30 -2.841 14.834 -2.991 1.00 0.00 H new ATOM 0 HA SER A 30 -4.679 16.912 -2.657 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.690 17.161 -4.029 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.170 15.840 -5.076 1.00 0.00 H new ATOM 0 HG SER A 30 -3.652 17.912 -6.000 1.00 0.00 H new ATOM 581 N SER A 31 -5.901 14.320 -4.147 1.00 0.00 N ATOM 582 CA SER A 31 -7.116 13.741 -4.711 1.00 0.00 C ATOM 583 C SER A 31 -8.293 13.890 -3.753 1.00 0.00 C ATOM 584 O SER A 31 -9.450 13.888 -4.174 1.00 0.00 O ATOM 585 CB SER A 31 -6.896 12.262 -5.038 1.00 0.00 C ATOM 586 OG SER A 31 -7.765 11.835 -6.072 1.00 0.00 O ATOM 0 H SER A 31 -5.179 13.640 -3.910 1.00 0.00 H new ATOM 0 HA SER A 31 -7.350 14.281 -5.628 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.861 12.103 -5.340 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.064 11.660 -4.145 1.00 0.00 H new ATOM 0 HG SER A 31 -7.716 12.464 -6.822 1.00 0.00 H new ATOM 592 N TRP A 32 -7.994 14.013 -2.464 1.00 0.00 N ATOM 593 CA TRP A 32 -9.033 14.157 -1.450 1.00 0.00 C ATOM 594 C TRP A 32 -9.072 15.581 -0.894 1.00 0.00 C ATOM 595 O TRP A 32 -9.658 15.825 0.161 1.00 0.00 O ATOM 596 CB TRP A 32 -8.803 13.160 -0.312 1.00 0.00 C ATOM 597 CG TRP A 32 -8.417 11.792 -0.789 1.00 0.00 C ATOM 598 CD1 TRP A 32 -7.281 11.450 -1.463 1.00 0.00 C ATOM 599 CD2 TRP A 32 -9.169 10.583 -0.629 1.00 0.00 C ATOM 600 NE1 TRP A 32 -7.278 10.103 -1.733 1.00 0.00 N ATOM 601 CE2 TRP A 32 -8.428 9.549 -1.231 1.00 0.00 C ATOM 602 CE3 TRP A 32 -10.396 10.276 -0.035 1.00 0.00 C ATOM 603 CZ2 TRP A 32 -8.875 8.229 -1.255 1.00 0.00 C ATOM 604 CZ3 TRP A 32 -10.838 8.966 -0.059 1.00 0.00 C ATOM 605 CH2 TRP A 32 -10.079 7.957 -0.666 1.00 0.00 C ATOM 0 H TRP A 32 -7.042 14.016 -2.097 1.00 0.00 H new ATOM 0 HA TRP A 32 -9.993 13.949 -1.923 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -8.021 13.542 0.344 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -9.712 13.086 0.285 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.498 12.139 -1.744 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -6.542 9.598 -2.226 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -10.988 11.048 0.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -8.292 7.449 -1.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -11.784 8.716 0.398 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -10.452 6.944 -0.669 1.00 0.00 H new ATOM 616 N ALA A 33 -8.450 16.517 -1.608 1.00 0.00 N ATOM 617 CA ALA A 33 -8.420 17.911 -1.177 1.00 0.00 C ATOM 618 C ALA A 33 -9.831 18.447 -0.953 1.00 0.00 C ATOM 619 O ALA A 33 -10.180 18.859 0.154 1.00 0.00 O ATOM 620 CB ALA A 33 -7.682 18.762 -2.197 1.00 0.00 C ATOM 0 H ALA A 33 -7.962 16.335 -2.485 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.888 17.962 -0.227 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -7.667 19.799 -1.863 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.659 18.400 -2.301 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -8.189 18.698 -3.160 1.00 0.00 H new ATOM 626 N ASP A 34 -10.639 18.435 -2.007 1.00 0.00 N ATOM 627 CA ASP A 34 -12.013 18.917 -1.922 1.00 0.00 C ATOM 628 C ASP A 34 -12.959 17.811 -1.455 1.00 0.00 C ATOM 629 O ASP A 34 -14.176 17.998 -1.427 1.00 0.00 O ATOM 630 CB ASP A 34 -12.472 19.458 -3.277 1.00 0.00 C ATOM 631 CG ASP A 34 -12.250 18.467 -4.404 1.00 0.00 C ATOM 632 OD1 ASP A 34 -11.853 17.318 -4.114 1.00 0.00 O ATOM 633 OD2 ASP A 34 -12.473 18.839 -5.574 1.00 0.00 O ATOM 0 H ASP A 34 -10.367 18.097 -2.930 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.039 19.722 -1.188 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.531 19.711 -3.224 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.934 20.380 -3.497 1.00 0.00 H new ATOM 638 N GLY A 35 -12.400 16.658 -1.087 1.00 0.00 N ATOM 639 CA GLY A 35 -13.218 15.551 -0.629 1.00 0.00 C ATOM 640 C GLY A 35 -13.964 14.872 -1.762 1.00 0.00 C ATOM 641 O GLY A 35 -15.045 14.322 -1.559 1.00 0.00 O ATOM 0 H GLY A 35 -11.397 16.474 -1.099 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.585 14.820 -0.125 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.935 15.914 0.108 1.00 0.00 H new ATOM 645 N LEU A 36 -13.388 14.915 -2.957 1.00 0.00 N ATOM 646 CA LEU A 36 -14.007 14.302 -4.127 1.00 0.00 C ATOM 647 C LEU A 36 -13.996 12.779 -4.023 1.00 0.00 C ATOM 648 O LEU A 36 -14.992 12.120 -4.318 1.00 0.00 O ATOM 649 CB LEU A 36 -13.283 14.745 -5.401 1.00 0.00 C ATOM 650 CG LEU A 36 -14.175 15.397 -6.460 1.00 0.00 C ATOM 651 CD1 LEU A 36 -15.244 14.423 -6.931 1.00 0.00 C ATOM 652 CD2 LEU A 36 -14.810 16.667 -5.912 1.00 0.00 C ATOM 0 H LEU A 36 -12.493 15.368 -3.142 1.00 0.00 H new ATOM 0 HA LEU A 36 -15.045 14.632 -4.171 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.496 15.448 -5.128 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.795 13.877 -5.844 1.00 0.00 H new ATOM 0 HG LEU A 36 -13.555 15.664 -7.316 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -15.869 14.904 -7.684 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -14.769 13.542 -7.363 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -15.862 14.124 -6.084 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -15.441 17.118 -6.678 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -15.416 16.423 -5.039 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -14.028 17.370 -5.626 1.00 0.00 H new ATOM 664 N ALA A 37 -12.860 12.228 -3.611 1.00 0.00 N ATOM 665 CA ALA A 37 -12.714 10.782 -3.479 1.00 0.00 C ATOM 666 C ALA A 37 -13.558 10.230 -2.335 1.00 0.00 C ATOM 667 O ALA A 37 -14.253 9.226 -2.495 1.00 0.00 O ATOM 668 CB ALA A 37 -11.248 10.421 -3.281 1.00 0.00 C ATOM 0 H ALA A 37 -12.026 12.760 -3.362 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.075 10.325 -4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.149 9.340 -3.184 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.670 10.762 -4.140 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.874 10.902 -2.378 1.00 0.00 H new ATOM 674 N LEU A 38 -13.486 10.880 -1.177 1.00 0.00 N ATOM 675 CA LEU A 38 -14.238 10.437 -0.008 1.00 0.00 C ATOM 676 C LEU A 38 -15.744 10.482 -0.264 1.00 0.00 C ATOM 677 O LEU A 38 -16.463 9.529 0.044 1.00 0.00 O ATOM 678 CB LEU A 38 -13.887 11.303 1.206 1.00 0.00 C ATOM 679 CG LEU A 38 -13.248 10.551 2.375 1.00 0.00 C ATOM 680 CD1 LEU A 38 -12.956 11.501 3.525 1.00 0.00 C ATOM 681 CD2 LEU A 38 -14.151 9.416 2.835 1.00 0.00 C ATOM 0 H LEU A 38 -12.917 11.712 -1.023 1.00 0.00 H new ATOM 0 HA LEU A 38 -13.961 9.403 0.195 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -13.206 12.092 0.886 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.795 11.790 1.560 1.00 0.00 H new ATOM 0 HG LEU A 38 -12.304 10.124 2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.502 10.948 4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.271 12.279 3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -13.886 11.958 3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -13.681 8.892 3.667 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -15.110 9.822 3.157 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -14.310 8.720 2.011 1.00 0.00 H new ATOM 693 N CYS A 39 -16.217 11.588 -0.827 1.00 0.00 N ATOM 694 CA CYS A 39 -17.638 11.741 -1.120 1.00 0.00 C ATOM 695 C CYS A 39 -18.051 10.848 -2.286 1.00 0.00 C ATOM 696 O CYS A 39 -19.138 10.271 -2.282 1.00 0.00 O ATOM 697 CB CYS A 39 -17.968 13.203 -1.426 1.00 0.00 C ATOM 698 SG CYS A 39 -19.419 13.825 -0.543 1.00 0.00 S ATOM 0 H CYS A 39 -15.641 12.388 -1.089 1.00 0.00 H new ATOM 0 HA CYS A 39 -18.201 11.434 -0.238 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -17.107 13.821 -1.171 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -18.133 13.312 -2.498 1.00 0.00 H new ATOM 0 HG CYS A 39 -19.282 15.099 -0.326 1.00 0.00 H new ATOM 704 N ALA A 40 -17.175 10.735 -3.281 1.00 0.00 N ATOM 705 CA ALA A 40 -17.452 9.905 -4.448 1.00 0.00 C ATOM 706 C ALA A 40 -17.711 8.461 -4.036 1.00 0.00 C ATOM 707 O ALA A 40 -18.576 7.787 -4.599 1.00 0.00 O ATOM 708 CB ALA A 40 -16.295 9.977 -5.433 1.00 0.00 C ATOM 0 H ALA A 40 -16.271 11.206 -3.302 1.00 0.00 H new ATOM 0 HA ALA A 40 -18.350 10.286 -4.935 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.515 9.353 -6.299 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.155 11.009 -5.755 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -15.384 9.621 -4.951 1.00 0.00 H new ATOM 714 N LEU A 41 -16.958 7.992 -3.048 1.00 0.00 N ATOM 715 CA LEU A 41 -17.106 6.629 -2.550 1.00 0.00 C ATOM 716 C LEU A 41 -18.423 6.468 -1.799 1.00 0.00 C ATOM 717 O LEU A 41 -19.200 5.553 -2.074 1.00 0.00 O ATOM 718 CB LEU A 41 -15.935 6.268 -1.634 1.00 0.00 C ATOM 719 CG LEU A 41 -14.572 6.186 -2.325 1.00 0.00 C ATOM 720 CD1 LEU A 41 -13.473 6.688 -1.400 1.00 0.00 C ATOM 721 CD2 LEU A 41 -14.285 4.759 -2.768 1.00 0.00 C ATOM 0 H LEU A 41 -16.237 8.537 -2.575 1.00 0.00 H new ATOM 0 HA LEU A 41 -17.109 5.953 -3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -15.877 7.008 -0.836 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.145 5.308 -1.163 1.00 0.00 H new ATOM 0 HG LEU A 41 -14.595 6.824 -3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.511 6.622 -1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -13.670 7.725 -1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -13.449 6.077 -0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -13.312 4.719 -3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -14.281 4.102 -1.898 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -15.056 4.433 -3.466 1.00 0.00 H new ATOM 733 N VAL A 42 -18.667 7.366 -0.851 1.00 0.00 N ATOM 734 CA VAL A 42 -19.891 7.328 -0.059 1.00 0.00 C ATOM 735 C VAL A 42 -21.124 7.436 -0.950 1.00 0.00 C ATOM 736 O VAL A 42 -22.097 6.702 -0.774 1.00 0.00 O ATOM 737 CB VAL A 42 -19.921 8.464 0.982 1.00 0.00 C ATOM 738 CG1 VAL A 42 -21.132 8.322 1.895 1.00 0.00 C ATOM 739 CG2 VAL A 42 -18.633 8.483 1.792 1.00 0.00 C ATOM 0 H VAL A 42 -18.034 8.129 -0.612 1.00 0.00 H new ATOM 0 HA VAL A 42 -19.904 6.370 0.460 1.00 0.00 H new ATOM 0 HB VAL A 42 -20.003 9.413 0.453 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -21.136 9.133 2.623 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -22.044 8.365 1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -21.084 7.366 2.417 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -18.674 9.292 2.521 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.516 7.532 2.311 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.786 8.639 1.124 1.00 0.00 H new ATOM 749 N TYR A 43 -21.073 8.356 -1.907 1.00 0.00 N ATOM 750 CA TYR A 43 -22.182 8.564 -2.830 1.00 0.00 C ATOM 751 C TYR A 43 -22.489 7.290 -3.611 1.00 0.00 C ATOM 752 O TYR A 43 -23.649 6.974 -3.873 1.00 0.00 O ATOM 753 CB TYR A 43 -21.856 9.703 -3.798 1.00 0.00 C ATOM 754 CG TYR A 43 -22.949 9.977 -4.808 1.00 0.00 C ATOM 755 CD1 TYR A 43 -24.082 10.699 -4.455 1.00 0.00 C ATOM 756 CD2 TYR A 43 -22.847 9.513 -6.114 1.00 0.00 C ATOM 757 CE1 TYR A 43 -25.082 10.952 -5.375 1.00 0.00 C ATOM 758 CE2 TYR A 43 -23.843 9.762 -7.038 1.00 0.00 C ATOM 759 CZ TYR A 43 -24.957 10.482 -6.665 1.00 0.00 C ATOM 760 OH TYR A 43 -25.950 10.731 -7.584 1.00 0.00 O ATOM 0 H TYR A 43 -20.274 8.970 -2.064 1.00 0.00 H new ATOM 0 HA TYR A 43 -23.063 8.830 -2.246 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -21.667 10.611 -3.226 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -20.935 9.464 -4.329 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -24.183 11.069 -3.445 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -21.975 8.949 -6.411 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -25.957 11.515 -5.085 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -23.749 9.394 -8.049 1.00 0.00 H new ATOM 0 HH TYR A 43 -25.706 10.332 -8.445 1.00 0.00 H new ATOM 770 N ARG A 44 -21.439 6.561 -3.979 1.00 0.00 N ATOM 771 CA ARG A 44 -21.598 5.322 -4.728 1.00 0.00 C ATOM 772 C ARG A 44 -22.371 4.291 -3.912 1.00 0.00 C ATOM 773 O ARG A 44 -23.232 3.586 -4.438 1.00 0.00 O ATOM 774 CB ARG A 44 -20.230 4.762 -5.125 1.00 0.00 C ATOM 775 CG ARG A 44 -20.019 4.678 -6.627 1.00 0.00 C ATOM 776 CD ARG A 44 -20.392 3.305 -7.165 1.00 0.00 C ATOM 777 NE ARG A 44 -21.804 3.227 -7.532 1.00 0.00 N ATOM 778 CZ ARG A 44 -22.304 3.718 -8.663 1.00 0.00 C ATOM 779 NH1 ARG A 44 -21.511 4.322 -9.540 1.00 0.00 N ATOM 780 NH2 ARG A 44 -23.600 3.604 -8.919 1.00 0.00 N ATOM 0 H ARG A 44 -20.472 6.808 -3.770 1.00 0.00 H new ATOM 0 HA ARG A 44 -22.166 5.541 -5.632 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -19.451 5.389 -4.692 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -20.115 3.767 -4.694 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -20.620 5.440 -7.123 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -18.976 4.891 -6.862 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -19.778 3.078 -8.036 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -20.170 2.548 -6.413 1.00 0.00 H new ATOM 0 HE ARG A 44 -22.444 2.769 -6.883 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -20.513 4.411 -9.348 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -21.900 4.697 -10.405 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -24.213 3.140 -8.249 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -23.984 3.980 -9.786 1.00 0.00 H new ATOM 794 N LEU A 45 -22.062 4.213 -2.622 1.00 0.00 N ATOM 795 CA LEU A 45 -22.732 3.273 -1.732 1.00 0.00 C ATOM 796 C LEU A 45 -24.137 3.758 -1.387 1.00 0.00 C ATOM 797 O LEU A 45 -25.071 2.962 -1.279 1.00 0.00 O ATOM 798 CB LEU A 45 -21.913 3.080 -0.453 1.00 0.00 C ATOM 799 CG LEU A 45 -20.964 1.880 -0.462 1.00 0.00 C ATOM 800 CD1 LEU A 45 -21.740 0.585 -0.286 1.00 0.00 C ATOM 801 CD2 LEU A 45 -20.153 1.844 -1.751 1.00 0.00 C ATOM 0 H LEU A 45 -21.352 4.789 -2.170 1.00 0.00 H new ATOM 0 HA LEU A 45 -22.816 2.316 -2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -21.329 3.983 -0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -22.600 2.973 0.387 1.00 0.00 H new ATOM 0 HG LEU A 45 -20.273 1.985 0.374 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -21.049 -0.258 -0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -22.273 0.607 0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -22.455 0.476 -1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -19.485 0.983 -1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -20.828 1.765 -2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -19.565 2.758 -1.837 1.00 0.00 H new ATOM 813 N GLN A 46 -24.281 5.069 -1.218 1.00 0.00 N ATOM 814 CA GLN A 46 -25.573 5.661 -0.889 1.00 0.00 C ATOM 815 C GLN A 46 -25.773 6.979 -1.633 1.00 0.00 C ATOM 816 O GLN A 46 -25.625 8.057 -1.059 1.00 0.00 O ATOM 817 CB GLN A 46 -25.685 5.886 0.623 1.00 0.00 C ATOM 818 CG GLN A 46 -26.917 5.248 1.243 1.00 0.00 C ATOM 819 CD GLN A 46 -26.777 3.748 1.411 1.00 0.00 C ATOM 820 OE1 GLN A 46 -25.701 3.247 1.737 1.00 0.00 O ATOM 821 NE2 GLN A 46 -27.866 3.022 1.187 1.00 0.00 N ATOM 0 H GLN A 46 -23.519 5.741 -1.304 1.00 0.00 H new ATOM 0 HA GLN A 46 -26.354 4.968 -1.203 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -24.795 5.485 1.108 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -25.702 6.957 0.822 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -27.106 5.702 2.216 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -27.785 5.460 0.618 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -28.737 3.479 0.919 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -27.831 2.007 1.283 1.00 0.00 H new ATOM 830 N PRO A 47 -26.116 6.909 -2.931 1.00 0.00 N ATOM 831 CA PRO A 47 -26.337 8.101 -3.755 1.00 0.00 C ATOM 832 C PRO A 47 -27.592 8.868 -3.343 1.00 0.00 C ATOM 833 O PRO A 47 -27.772 10.026 -3.719 1.00 0.00 O ATOM 834 CB PRO A 47 -26.495 7.536 -5.169 1.00 0.00 C ATOM 835 CG PRO A 47 -26.962 6.136 -4.967 1.00 0.00 C ATOM 836 CD PRO A 47 -26.314 5.663 -3.695 1.00 0.00 C ATOM 0 HA PRO A 47 -25.521 8.818 -3.658 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -27.215 8.114 -5.748 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -25.552 7.564 -5.714 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -28.049 6.094 -4.890 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -26.677 5.504 -5.808 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -26.949 4.959 -3.158 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -25.369 5.156 -3.889 1.00 0.00 H new ATOM 844 N GLY A 48 -28.456 8.215 -2.574 1.00 0.00 N ATOM 845 CA GLY A 48 -29.681 8.852 -2.129 1.00 0.00 C ATOM 846 C GLY A 48 -29.505 9.624 -0.834 1.00 0.00 C ATOM 847 O GLY A 48 -30.308 10.500 -0.515 1.00 0.00 O ATOM 0 H GLY A 48 -28.330 7.256 -2.251 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -30.036 9.530 -2.906 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -30.451 8.093 -1.992 1.00 0.00 H new ATOM 851 N LEU A 49 -28.455 9.298 -0.085 1.00 0.00 N ATOM 852 CA LEU A 49 -28.185 9.970 1.182 1.00 0.00 C ATOM 853 C LEU A 49 -26.867 10.737 1.131 1.00 0.00 C ATOM 854 O LEU A 49 -26.211 10.926 2.154 1.00 0.00 O ATOM 855 CB LEU A 49 -28.150 8.953 2.323 1.00 0.00 C ATOM 856 CG LEU A 49 -29.519 8.463 2.797 1.00 0.00 C ATOM 857 CD1 LEU A 49 -29.369 7.505 3.969 1.00 0.00 C ATOM 858 CD2 LEU A 49 -30.402 9.641 3.179 1.00 0.00 C ATOM 0 H LEU A 49 -27.779 8.575 -0.333 1.00 0.00 H new ATOM 0 HA LEU A 49 -28.989 10.684 1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -27.564 8.092 2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -27.627 9.398 3.170 1.00 0.00 H new ATOM 0 HG LEU A 49 -29.995 7.927 1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -30.354 7.168 4.292 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -28.774 6.645 3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -28.872 8.015 4.794 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -31.372 9.275 3.514 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -29.929 10.204 3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -30.538 10.289 2.314 1.00 0.00 H new ATOM 870 N LEU A 50 -26.485 11.176 -0.064 1.00 0.00 N ATOM 871 CA LEU A 50 -25.244 11.923 -0.239 1.00 0.00 C ATOM 872 C LEU A 50 -25.410 13.022 -1.286 1.00 0.00 C ATOM 873 O LEU A 50 -26.380 13.032 -2.043 1.00 0.00 O ATOM 874 CB LEU A 50 -24.109 10.977 -0.642 1.00 0.00 C ATOM 875 CG LEU A 50 -22.982 10.845 0.383 1.00 0.00 C ATOM 876 CD1 LEU A 50 -22.172 12.130 0.454 1.00 0.00 C ATOM 877 CD2 LEU A 50 -23.541 10.489 1.751 1.00 0.00 C ATOM 0 H LEU A 50 -27.015 11.028 -0.923 1.00 0.00 H new ATOM 0 HA LEU A 50 -24.994 12.393 0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -24.529 9.988 -0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -23.684 11.324 -1.584 1.00 0.00 H new ATOM 0 HG LEU A 50 -22.321 10.039 0.064 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -21.375 12.017 1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -21.738 12.341 -0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.822 12.954 0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.723 10.400 2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -24.226 11.271 2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -24.075 9.541 1.690 1.00 0.00 H new ATOM 889 N GLU A 51 -24.453 13.944 -1.321 1.00 0.00 N ATOM 890 CA GLU A 51 -24.487 15.049 -2.274 1.00 0.00 C ATOM 891 C GLU A 51 -23.074 15.538 -2.584 1.00 0.00 C ATOM 892 O GLU A 51 -22.722 16.680 -2.286 1.00 0.00 O ATOM 893 CB GLU A 51 -25.334 16.200 -1.724 1.00 0.00 C ATOM 894 CG GLU A 51 -26.819 15.882 -1.653 1.00 0.00 C ATOM 895 CD GLU A 51 -27.622 16.986 -0.993 1.00 0.00 C ATOM 896 OE1 GLU A 51 -27.237 17.419 0.114 1.00 0.00 O ATOM 897 OE2 GLU A 51 -28.635 17.417 -1.582 1.00 0.00 O ATOM 0 H GLU A 51 -23.644 13.948 -0.700 1.00 0.00 H new ATOM 0 HA GLU A 51 -24.939 14.689 -3.198 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -24.978 16.458 -0.727 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -25.189 17.079 -2.352 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -27.199 15.714 -2.661 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -26.962 14.954 -1.100 1.00 0.00 H new ATOM 904 N PRO A 52 -22.242 14.673 -3.188 1.00 0.00 N ATOM 905 CA PRO A 52 -20.858 15.012 -3.539 1.00 0.00 C ATOM 906 C PRO A 52 -20.767 16.249 -4.426 1.00 0.00 C ATOM 907 O PRO A 52 -19.786 16.990 -4.372 1.00 0.00 O ATOM 908 CB PRO A 52 -20.353 13.772 -4.292 1.00 0.00 C ATOM 909 CG PRO A 52 -21.580 13.008 -4.659 1.00 0.00 C ATOM 910 CD PRO A 52 -22.580 13.297 -3.580 1.00 0.00 C ATOM 0 HA PRO A 52 -20.269 15.253 -2.654 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -19.785 14.054 -5.179 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -19.690 13.175 -3.666 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -21.956 13.318 -5.634 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -21.371 11.940 -4.723 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -23.604 13.220 -3.945 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -22.487 12.603 -2.745 1.00 0.00 H new ATOM 918 N SER A 53 -21.793 16.466 -5.240 1.00 0.00 N ATOM 919 CA SER A 53 -21.823 17.612 -6.136 1.00 0.00 C ATOM 920 C SER A 53 -21.741 18.919 -5.354 1.00 0.00 C ATOM 921 O SER A 53 -21.030 19.846 -5.746 1.00 0.00 O ATOM 922 CB SER A 53 -23.096 17.591 -6.984 1.00 0.00 C ATOM 923 OG SER A 53 -23.209 18.768 -7.765 1.00 0.00 O ATOM 0 H SER A 53 -22.614 15.863 -5.297 1.00 0.00 H new ATOM 0 HA SER A 53 -20.956 17.548 -6.793 1.00 0.00 H new ATOM 0 HB2 SER A 53 -23.088 16.718 -7.636 1.00 0.00 H new ATOM 0 HB3 SER A 53 -23.967 17.496 -6.336 1.00 0.00 H new ATOM 0 HG SER A 53 -24.030 18.729 -8.299 1.00 0.00 H new ATOM 929 N GLU A 54 -22.474 18.986 -4.251 1.00 0.00 N ATOM 930 CA GLU A 54 -22.487 20.181 -3.415 1.00 0.00 C ATOM 931 C GLU A 54 -21.172 20.345 -2.658 1.00 0.00 C ATOM 932 O GLU A 54 -20.563 21.415 -2.681 1.00 0.00 O ATOM 933 CB GLU A 54 -23.652 20.118 -2.423 1.00 0.00 C ATOM 934 CG GLU A 54 -24.960 20.648 -2.983 1.00 0.00 C ATOM 935 CD GLU A 54 -25.819 21.315 -1.927 1.00 0.00 C ATOM 936 OE1 GLU A 54 -25.820 20.836 -0.774 1.00 0.00 O ATOM 937 OE2 GLU A 54 -26.492 22.315 -2.254 1.00 0.00 O ATOM 0 H GLU A 54 -23.067 18.228 -3.914 1.00 0.00 H new ATOM 0 HA GLU A 54 -22.613 21.044 -4.069 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -23.794 19.084 -2.108 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -23.390 20.689 -1.532 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -24.747 21.363 -3.778 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -25.517 19.827 -3.434 1.00 0.00 H new ATOM 944 N LEU A 55 -20.741 19.281 -1.988 1.00 0.00 N ATOM 945 CA LEU A 55 -19.500 19.309 -1.217 1.00 0.00 C ATOM 946 C LEU A 55 -18.273 19.409 -2.123 1.00 0.00 C ATOM 947 O LEU A 55 -17.158 19.622 -1.647 1.00 0.00 O ATOM 948 CB LEU A 55 -19.395 18.061 -0.339 1.00 0.00 C ATOM 949 CG LEU A 55 -20.324 18.045 0.877 1.00 0.00 C ATOM 950 CD1 LEU A 55 -19.963 19.164 1.845 1.00 0.00 C ATOM 951 CD2 LEU A 55 -21.776 18.165 0.440 1.00 0.00 C ATOM 0 H LEU A 55 -21.232 18.387 -1.963 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.526 20.198 -0.586 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -19.608 17.185 -0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.366 17.965 0.008 1.00 0.00 H new ATOM 0 HG LEU A 55 -20.196 17.093 1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -20.636 19.135 2.702 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -18.936 19.034 2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.059 20.126 1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -22.422 18.152 1.318 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -21.917 19.101 -0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -22.031 17.328 -0.211 1.00 0.00 H new ATOM 963 N GLN A 56 -18.482 19.243 -3.423 1.00 0.00 N ATOM 964 CA GLN A 56 -17.391 19.305 -4.386 1.00 0.00 C ATOM 965 C GLN A 56 -16.757 20.689 -4.432 1.00 0.00 C ATOM 966 O GLN A 56 -15.536 20.820 -4.541 1.00 0.00 O ATOM 967 CB GLN A 56 -17.906 18.921 -5.773 1.00 0.00 C ATOM 968 CG GLN A 56 -16.847 18.994 -6.863 1.00 0.00 C ATOM 969 CD GLN A 56 -17.068 20.153 -7.816 1.00 0.00 C ATOM 970 OE1 GLN A 56 -17.579 21.204 -7.427 1.00 0.00 O ATOM 971 NE2 GLN A 56 -16.687 19.967 -9.074 1.00 0.00 N ATOM 0 H GLN A 56 -19.398 19.064 -3.835 1.00 0.00 H new ATOM 0 HA GLN A 56 -16.623 18.600 -4.069 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -18.305 17.907 -5.734 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -18.733 19.579 -6.038 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -15.864 19.090 -6.403 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -16.846 18.061 -7.426 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -16.268 19.080 -9.354 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -16.814 20.711 -9.760 1.00 0.00 H new ATOM 980 N GLY A 57 -17.584 21.721 -4.358 1.00 0.00 N ATOM 981 CA GLY A 57 -17.076 23.080 -4.402 1.00 0.00 C ATOM 982 C GLY A 57 -17.303 23.839 -3.109 1.00 0.00 C ATOM 983 O GLY A 57 -16.747 24.921 -2.916 1.00 0.00 O ATOM 0 H GLY A 57 -18.597 21.644 -4.268 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -16.008 23.056 -4.620 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -17.557 23.616 -5.221 1.00 0.00 H new ATOM 987 N LEU A 58 -18.116 23.277 -2.221 1.00 0.00 N ATOM 988 CA LEU A 58 -18.404 23.919 -0.943 1.00 0.00 C ATOM 989 C LEU A 58 -17.117 24.173 -0.166 1.00 0.00 C ATOM 990 O LEU A 58 -17.036 25.112 0.627 1.00 0.00 O ATOM 991 CB LEU A 58 -19.357 23.056 -0.116 1.00 0.00 C ATOM 992 CG LEU A 58 -20.834 23.456 -0.206 1.00 0.00 C ATOM 993 CD1 LEU A 58 -21.712 22.231 -0.421 1.00 0.00 C ATOM 994 CD2 LEU A 58 -21.259 24.209 1.046 1.00 0.00 C ATOM 0 H LEU A 58 -18.585 22.382 -2.361 1.00 0.00 H new ATOM 0 HA LEU A 58 -18.882 24.878 -1.143 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -19.256 22.019 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -19.048 23.097 0.928 1.00 0.00 H new ATOM 0 HG LEU A 58 -20.959 24.117 -1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -22.756 22.538 -0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -21.425 21.736 -1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -21.585 21.541 0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -22.310 24.485 0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -21.117 23.572 1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -20.654 25.110 1.152 1.00 0.00 H new ATOM 1006 N GLY A 59 -16.110 23.335 -0.398 1.00 0.00 N ATOM 1007 CA GLY A 59 -14.844 23.499 0.293 1.00 0.00 C ATOM 1008 C GLY A 59 -14.179 22.177 0.617 1.00 0.00 C ATOM 1009 O GLY A 59 -14.784 21.116 0.474 1.00 0.00 O ATOM 0 H GLY A 59 -16.148 22.550 -1.048 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.173 24.097 -0.324 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -15.008 24.054 1.216 1.00 0.00 H new ATOM 1013 N ALA A 60 -12.926 22.244 1.056 1.00 0.00 N ATOM 1014 CA ALA A 60 -12.171 21.046 1.402 1.00 0.00 C ATOM 1015 C ALA A 60 -12.589 20.512 2.768 1.00 0.00 C ATOM 1016 O ALA A 60 -13.112 19.403 2.879 1.00 0.00 O ATOM 1017 CB ALA A 60 -10.679 21.340 1.382 1.00 0.00 C ATOM 0 H ALA A 60 -12.412 23.116 1.180 1.00 0.00 H new ATOM 0 HA ALA A 60 -12.389 20.279 0.658 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.127 20.437 1.642 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.386 21.670 0.385 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -10.453 22.124 2.104 1.00 0.00 H new ATOM 1023 N LEU A 61 -12.356 21.308 3.806 1.00 0.00 N ATOM 1024 CA LEU A 61 -12.709 20.916 5.166 1.00 0.00 C ATOM 1025 C LEU A 61 -14.204 20.633 5.278 1.00 0.00 C ATOM 1026 O LEU A 61 -14.621 19.717 5.984 1.00 0.00 O ATOM 1027 CB LEU A 61 -12.305 22.011 6.159 1.00 0.00 C ATOM 1028 CG LEU A 61 -11.005 21.747 6.918 1.00 0.00 C ATOM 1029 CD1 LEU A 61 -11.141 20.517 7.802 1.00 0.00 C ATOM 1030 CD2 LEU A 61 -9.846 21.582 5.947 1.00 0.00 C ATOM 0 H LEU A 61 -11.924 22.229 3.732 1.00 0.00 H new ATOM 0 HA LEU A 61 -12.166 20.002 5.408 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -12.208 22.953 5.619 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -13.110 22.140 6.882 1.00 0.00 H new ATOM 0 HG LEU A 61 -10.800 22.606 7.557 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -10.205 20.346 8.334 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -11.944 20.673 8.522 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -11.371 19.649 7.185 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.928 21.395 6.504 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.045 20.741 5.282 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.733 22.492 5.357 1.00 0.00 H new ATOM 1042 N GLU A 62 -15.005 21.427 4.574 1.00 0.00 N ATOM 1043 CA GLU A 62 -16.454 21.261 4.591 1.00 0.00 C ATOM 1044 C GLU A 62 -16.855 19.930 3.966 1.00 0.00 C ATOM 1045 O GLU A 62 -17.684 19.202 4.509 1.00 0.00 O ATOM 1046 CB GLU A 62 -17.128 22.413 3.846 1.00 0.00 C ATOM 1047 CG GLU A 62 -17.322 23.658 4.696 1.00 0.00 C ATOM 1048 CD GLU A 62 -18.393 23.480 5.754 1.00 0.00 C ATOM 1049 OE1 GLU A 62 -18.711 22.318 6.086 1.00 0.00 O ATOM 1050 OE2 GLU A 62 -18.911 24.501 6.251 1.00 0.00 O ATOM 0 H GLU A 62 -14.675 22.191 3.985 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.785 21.268 5.630 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.529 22.670 2.973 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -18.099 22.079 3.479 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -16.379 23.915 5.178 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.589 24.496 4.052 1.00 0.00 H new ATOM 1057 N ALA A 63 -16.259 19.617 2.820 1.00 0.00 N ATOM 1058 CA ALA A 63 -16.552 18.373 2.121 1.00 0.00 C ATOM 1059 C ALA A 63 -16.137 17.166 2.952 1.00 0.00 C ATOM 1060 O ALA A 63 -16.872 16.183 3.049 1.00 0.00 O ATOM 1061 CB ALA A 63 -15.853 18.351 0.769 1.00 0.00 C ATOM 0 H ALA A 63 -15.570 20.209 2.356 1.00 0.00 H new ATOM 0 HA ALA A 63 -17.629 18.319 1.963 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -16.080 17.416 0.257 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -16.202 19.189 0.166 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.776 18.432 0.915 1.00 0.00 H new ATOM 1067 N THR A 64 -14.953 17.246 3.552 1.00 0.00 N ATOM 1068 CA THR A 64 -14.437 16.160 4.376 1.00 0.00 C ATOM 1069 C THR A 64 -15.270 15.993 5.643 1.00 0.00 C ATOM 1070 O THR A 64 -15.689 14.885 5.979 1.00 0.00 O ATOM 1071 CB THR A 64 -12.976 16.422 4.743 1.00 0.00 C ATOM 1072 OG1 THR A 64 -12.273 16.975 3.645 1.00 0.00 O ATOM 1073 CG2 THR A 64 -12.237 15.176 5.182 1.00 0.00 C ATOM 0 H THR A 64 -14.333 18.053 3.482 1.00 0.00 H new ATOM 0 HA THR A 64 -14.500 15.238 3.799 1.00 0.00 H new ATOM 0 HB THR A 64 -13.010 17.119 5.580 1.00 0.00 H new ATOM 0 HG1 THR A 64 -12.379 17.949 3.646 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.206 15.432 5.428 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.725 14.754 6.060 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.246 14.444 4.374 1.00 0.00 H new ATOM 1081 N ALA A 65 -15.501 17.097 6.346 1.00 0.00 N ATOM 1082 CA ALA A 65 -16.279 17.068 7.577 1.00 0.00 C ATOM 1083 C ALA A 65 -17.706 16.591 7.319 1.00 0.00 C ATOM 1084 O ALA A 65 -18.244 15.779 8.071 1.00 0.00 O ATOM 1085 CB ALA A 65 -16.292 18.444 8.226 1.00 0.00 C ATOM 0 H ALA A 65 -15.160 18.022 6.084 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.805 16.360 8.257 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -16.877 18.407 9.145 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -15.271 18.747 8.458 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -16.737 19.165 7.541 1.00 0.00 H new ATOM 1091 N TRP A 66 -18.312 17.098 6.251 1.00 0.00 N ATOM 1092 CA TRP A 66 -19.674 16.718 5.896 1.00 0.00 C ATOM 1093 C TRP A 66 -19.735 15.254 5.473 1.00 0.00 C ATOM 1094 O TRP A 66 -20.568 14.490 5.963 1.00 0.00 O ATOM 1095 CB TRP A 66 -20.200 17.607 4.768 1.00 0.00 C ATOM 1096 CG TRP A 66 -21.693 17.720 4.749 1.00 0.00 C ATOM 1097 CD1 TRP A 66 -22.457 18.608 5.452 1.00 0.00 C ATOM 1098 CD2 TRP A 66 -22.606 16.918 3.992 1.00 0.00 C ATOM 1099 NE1 TRP A 66 -23.787 18.407 5.177 1.00 0.00 N ATOM 1100 CE2 TRP A 66 -23.905 17.375 4.283 1.00 0.00 C ATOM 1101 CE3 TRP A 66 -22.451 15.857 3.093 1.00 0.00 C ATOM 1102 CZ2 TRP A 66 -25.040 16.807 3.709 1.00 0.00 C ATOM 1103 CZ3 TRP A 66 -23.578 15.296 2.524 1.00 0.00 C ATOM 1104 CH2 TRP A 66 -24.859 15.772 2.835 1.00 0.00 C ATOM 0 H TRP A 66 -17.882 17.772 5.617 1.00 0.00 H new ATOM 0 HA TRP A 66 -20.302 16.853 6.777 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -19.769 18.603 4.869 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -19.861 17.208 3.812 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -22.071 19.359 6.126 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -24.561 18.939 5.574 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -21.468 15.483 2.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -26.028 17.172 3.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -23.470 14.477 1.828 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -25.721 15.312 2.375 1.00 0.00 H new ATOM 1115 N ALA A 67 -18.846 14.870 4.565 1.00 0.00 N ATOM 1116 CA ALA A 67 -18.796 13.497 4.076 1.00 0.00 C ATOM 1117 C ALA A 67 -18.482 12.526 5.208 1.00 0.00 C ATOM 1118 O ALA A 67 -19.031 11.426 5.265 1.00 0.00 O ATOM 1119 CB ALA A 67 -17.765 13.369 2.966 1.00 0.00 C ATOM 0 H ALA A 67 -18.149 15.490 4.152 1.00 0.00 H new ATOM 0 HA ALA A 67 -19.777 13.243 3.674 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -17.739 12.339 2.611 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -18.033 14.030 2.142 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -16.783 13.646 3.348 1.00 0.00 H new ATOM 1125 N LEU A 68 -17.595 12.939 6.106 1.00 0.00 N ATOM 1126 CA LEU A 68 -17.206 12.104 7.237 1.00 0.00 C ATOM 1127 C LEU A 68 -18.376 11.902 8.194 1.00 0.00 C ATOM 1128 O LEU A 68 -18.566 10.812 8.735 1.00 0.00 O ATOM 1129 CB LEU A 68 -16.027 12.734 7.981 1.00 0.00 C ATOM 1130 CG LEU A 68 -14.649 12.413 7.401 1.00 0.00 C ATOM 1131 CD1 LEU A 68 -13.590 13.325 8.003 1.00 0.00 C ATOM 1132 CD2 LEU A 68 -14.296 10.953 7.645 1.00 0.00 C ATOM 0 H LEU A 68 -17.131 13.847 6.073 1.00 0.00 H new ATOM 0 HA LEU A 68 -16.905 11.130 6.850 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -16.158 13.816 7.988 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -16.053 12.403 9.019 1.00 0.00 H new ATOM 0 HG LEU A 68 -14.680 12.586 6.325 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.616 13.082 7.578 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -13.834 14.363 7.779 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -13.560 13.184 9.083 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.312 10.742 7.226 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -14.284 10.756 8.717 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -15.039 10.314 7.167 1.00 0.00 H new ATOM 1144 N LYS A 69 -19.158 12.957 8.401 1.00 0.00 N ATOM 1145 CA LYS A 69 -20.307 12.889 9.297 1.00 0.00 C ATOM 1146 C LYS A 69 -21.420 12.039 8.694 1.00 0.00 C ATOM 1147 O LYS A 69 -21.968 11.158 9.356 1.00 0.00 O ATOM 1148 CB LYS A 69 -20.829 14.296 9.596 1.00 0.00 C ATOM 1149 CG LYS A 69 -21.553 14.405 10.926 1.00 0.00 C ATOM 1150 CD LYS A 69 -22.924 13.748 10.870 1.00 0.00 C ATOM 1151 CE LYS A 69 -23.857 14.315 11.929 1.00 0.00 C ATOM 1152 NZ LYS A 69 -24.750 15.368 11.374 1.00 0.00 N ATOM 0 H LYS A 69 -19.018 13.867 7.962 1.00 0.00 H new ATOM 0 HA LYS A 69 -19.983 12.422 10.227 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -19.992 14.994 9.589 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -21.505 14.601 8.797 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -20.955 13.935 11.707 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -21.662 15.455 11.197 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -23.360 13.897 9.882 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -22.820 12.673 11.014 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -24.461 13.511 12.349 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -23.268 14.732 12.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -25.370 15.729 12.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -24.174 16.147 10.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -25.330 14.964 10.611 1.00 0.00 H new ATOM 1166 N VAL A 70 -21.749 12.306 7.434 1.00 0.00 N ATOM 1167 CA VAL A 70 -22.796 11.560 6.745 1.00 0.00 C ATOM 1168 C VAL A 70 -22.367 10.119 6.496 1.00 0.00 C ATOM 1169 O VAL A 70 -23.128 9.185 6.749 1.00 0.00 O ATOM 1170 CB VAL A 70 -23.172 12.218 5.403 1.00 0.00 C ATOM 1171 CG1 VAL A 70 -23.751 13.605 5.632 1.00 0.00 C ATOM 1172 CG2 VAL A 70 -21.964 12.280 4.479 1.00 0.00 C ATOM 0 H VAL A 70 -21.307 13.032 6.870 1.00 0.00 H new ATOM 0 HA VAL A 70 -23.671 11.568 7.395 1.00 0.00 H new ATOM 0 HB VAL A 70 -23.935 11.607 4.922 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -24.010 14.054 4.673 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -24.645 13.528 6.251 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -23.013 14.229 6.137 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -22.250 12.748 3.537 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -21.175 12.866 4.950 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -21.601 11.270 4.287 1.00 0.00 H new ATOM 1182 N ALA A 71 -21.142 9.942 6.009 1.00 0.00 N ATOM 1183 CA ALA A 71 -20.617 8.610 5.739 1.00 0.00 C ATOM 1184 C ALA A 71 -20.700 7.746 6.991 1.00 0.00 C ATOM 1185 O ALA A 71 -21.115 6.590 6.939 1.00 0.00 O ATOM 1186 CB ALA A 71 -19.179 8.695 5.247 1.00 0.00 C ATOM 0 H ALA A 71 -20.497 10.703 5.794 1.00 0.00 H new ATOM 0 HA ALA A 71 -21.222 8.150 4.958 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -18.802 7.691 5.050 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -19.142 9.283 4.330 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -18.562 9.172 6.008 1.00 0.00 H new ATOM 1192 N GLU A 72 -20.313 8.331 8.120 1.00 0.00 N ATOM 1193 CA GLU A 72 -20.354 7.635 9.396 1.00 0.00 C ATOM 1194 C GLU A 72 -21.797 7.415 9.834 1.00 0.00 C ATOM 1195 O GLU A 72 -22.132 6.384 10.413 1.00 0.00 O ATOM 1196 CB GLU A 72 -19.596 8.431 10.461 1.00 0.00 C ATOM 1197 CG GLU A 72 -19.613 7.782 11.834 1.00 0.00 C ATOM 1198 CD GLU A 72 -20.655 8.388 12.754 1.00 0.00 C ATOM 1199 OE1 GLU A 72 -20.582 9.609 13.011 1.00 0.00 O ATOM 1200 OE2 GLU A 72 -21.545 7.644 13.216 1.00 0.00 O ATOM 0 H GLU A 72 -19.967 9.289 8.174 1.00 0.00 H new ATOM 0 HA GLU A 72 -19.873 6.664 9.276 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -18.562 8.557 10.141 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -20.030 9.428 10.535 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -19.807 6.715 11.725 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -18.628 7.882 12.291 1.00 0.00 H new ATOM 1207 N ASN A 73 -22.646 8.399 9.559 1.00 0.00 N ATOM 1208 CA ASN A 73 -24.052 8.322 9.928 1.00 0.00 C ATOM 1209 C ASN A 73 -24.792 7.280 9.091 1.00 0.00 C ATOM 1210 O ASN A 73 -25.631 6.538 9.604 1.00 0.00 O ATOM 1211 CB ASN A 73 -24.718 9.688 9.758 1.00 0.00 C ATOM 1212 CG ASN A 73 -25.925 9.860 10.660 1.00 0.00 C ATOM 1213 OD1 ASN A 73 -26.973 9.254 10.437 1.00 0.00 O ATOM 1214 ND2 ASN A 73 -25.783 10.690 11.687 1.00 0.00 N ATOM 0 H ASN A 73 -22.383 9.261 9.081 1.00 0.00 H new ATOM 0 HA ASN A 73 -24.105 8.019 10.974 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -23.992 10.472 9.974 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -25.024 9.813 8.719 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -26.561 10.846 12.328 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -24.896 11.172 11.834 1.00 0.00 H new ATOM 1221 N GLU A 74 -24.487 7.238 7.798 1.00 0.00 N ATOM 1222 CA GLU A 74 -25.133 6.297 6.887 1.00 0.00 C ATOM 1223 C GLU A 74 -24.514 4.903 6.963 1.00 0.00 C ATOM 1224 O GLU A 74 -25.224 3.899 6.946 1.00 0.00 O ATOM 1225 CB GLU A 74 -25.053 6.819 5.451 1.00 0.00 C ATOM 1226 CG GLU A 74 -26.229 6.397 4.584 1.00 0.00 C ATOM 1227 CD GLU A 74 -26.380 4.891 4.499 1.00 0.00 C ATOM 1228 OE1 GLU A 74 -25.352 4.200 4.336 1.00 0.00 O ATOM 1229 OE2 GLU A 74 -27.525 4.402 4.595 1.00 0.00 O ATOM 0 H GLU A 74 -23.796 7.845 7.356 1.00 0.00 H new ATOM 0 HA GLU A 74 -26.175 6.213 7.194 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -24.999 7.907 5.471 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -24.129 6.463 4.995 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -27.146 6.828 4.987 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -26.100 6.803 3.581 1.00 0.00 H new ATOM 1236 N LEU A 75 -23.186 4.843 7.026 1.00 0.00 N ATOM 1237 CA LEU A 75 -22.483 3.564 7.079 1.00 0.00 C ATOM 1238 C LEU A 75 -22.264 3.093 8.515 1.00 0.00 C ATOM 1239 O LEU A 75 -22.302 1.894 8.793 1.00 0.00 O ATOM 1240 CB LEU A 75 -21.136 3.669 6.361 1.00 0.00 C ATOM 1241 CG LEU A 75 -21.224 3.996 4.869 1.00 0.00 C ATOM 1242 CD1 LEU A 75 -20.051 4.867 4.444 1.00 0.00 C ATOM 1243 CD2 LEU A 75 -21.267 2.718 4.046 1.00 0.00 C ATOM 0 H LEU A 75 -22.577 5.661 7.042 1.00 0.00 H new ATOM 0 HA LEU A 75 -23.111 2.828 6.576 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -20.538 4.437 6.852 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -20.603 2.726 6.480 1.00 0.00 H new ATOM 0 HG LEU A 75 -22.145 4.551 4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -20.130 5.090 3.380 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -20.064 5.798 5.011 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -19.117 4.339 4.636 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -21.330 2.969 2.987 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -20.363 2.137 4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -22.139 2.130 4.332 1.00 0.00 H new ATOM 1255 N GLY A 76 -22.032 4.034 9.421 1.00 0.00 N ATOM 1256 CA GLY A 76 -21.805 3.680 10.811 1.00 0.00 C ATOM 1257 C GLY A 76 -20.336 3.459 11.116 1.00 0.00 C ATOM 1258 O GLY A 76 -19.989 2.673 11.997 1.00 0.00 O ATOM 0 H GLY A 76 -21.997 5.033 9.220 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -22.192 4.471 11.453 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -22.363 2.775 11.049 1.00 0.00 H new ATOM 1262 N ILE A 77 -19.472 4.156 10.384 1.00 0.00 N ATOM 1263 CA ILE A 77 -18.031 4.034 10.576 1.00 0.00 C ATOM 1264 C ILE A 77 -17.451 5.300 11.199 1.00 0.00 C ATOM 1265 O ILE A 77 -17.576 6.391 10.643 1.00 0.00 O ATOM 1266 CB ILE A 77 -17.308 3.756 9.245 1.00 0.00 C ATOM 1267 CG1 ILE A 77 -17.999 2.619 8.490 1.00 0.00 C ATOM 1268 CG2 ILE A 77 -15.845 3.420 9.497 1.00 0.00 C ATOM 1269 CD1 ILE A 77 -17.508 2.453 7.068 1.00 0.00 C ATOM 0 H ILE A 77 -19.745 4.812 9.652 1.00 0.00 H new ATOM 0 HA ILE A 77 -17.872 3.193 11.250 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.354 4.655 8.630 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -17.842 1.686 9.031 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -19.073 2.803 8.476 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -15.347 3.226 8.547 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.360 4.259 9.996 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -15.779 2.534 10.129 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -18.041 1.629 6.593 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -17.689 3.372 6.511 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -16.439 2.238 7.075 1.00 0.00 H new ATOM 1281 N THR A 78 -16.815 5.145 12.356 1.00 0.00 N ATOM 1282 CA THR A 78 -16.214 6.275 13.055 1.00 0.00 C ATOM 1283 C THR A 78 -14.901 6.691 12.392 1.00 0.00 C ATOM 1284 O THR A 78 -13.993 5.874 12.238 1.00 0.00 O ATOM 1285 CB THR A 78 -15.965 5.918 14.521 1.00 0.00 C ATOM 1286 OG1 THR A 78 -17.087 5.253 15.073 1.00 0.00 O ATOM 1287 CG2 THR A 78 -15.674 7.123 15.389 1.00 0.00 C ATOM 0 H THR A 78 -16.703 4.248 12.829 1.00 0.00 H new ATOM 0 HA THR A 78 -16.908 7.114 13.003 1.00 0.00 H new ATOM 0 HB THR A 78 -15.086 5.273 14.516 1.00 0.00 H new ATOM 0 HG1 THR A 78 -16.907 5.032 16.011 1.00 0.00 H new ATOM 0 HG21 THR A 78 -15.507 6.800 16.416 1.00 0.00 H new ATOM 0 HG22 THR A 78 -14.783 7.631 15.019 1.00 0.00 H new ATOM 0 HG23 THR A 78 -16.522 7.807 15.357 1.00 0.00 H new ATOM 1295 N PRO A 79 -14.778 7.970 11.989 1.00 0.00 N ATOM 1296 CA PRO A 79 -13.564 8.479 11.340 1.00 0.00 C ATOM 1297 C PRO A 79 -12.313 8.224 12.175 1.00 0.00 C ATOM 1298 O PRO A 79 -12.334 8.359 13.399 1.00 0.00 O ATOM 1299 CB PRO A 79 -13.823 9.982 11.215 1.00 0.00 C ATOM 1300 CG PRO A 79 -15.306 10.116 11.234 1.00 0.00 C ATOM 1301 CD PRO A 79 -15.807 9.017 12.129 1.00 0.00 C ATOM 0 HA PRO A 79 -13.379 7.987 10.385 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -13.366 10.532 12.038 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -13.402 10.380 10.292 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.605 11.094 11.611 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -15.720 10.021 10.230 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -15.903 9.352 13.162 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.789 8.660 11.817 1.00 0.00 H new ATOM 1309 N VAL A 80 -11.224 7.858 11.506 1.00 0.00 N ATOM 1310 CA VAL A 80 -9.964 7.585 12.189 1.00 0.00 C ATOM 1311 C VAL A 80 -8.879 8.583 11.781 1.00 0.00 C ATOM 1312 O VAL A 80 -7.713 8.424 12.141 1.00 0.00 O ATOM 1313 CB VAL A 80 -9.465 6.157 11.896 1.00 0.00 C ATOM 1314 CG1 VAL A 80 -8.261 5.821 12.765 1.00 0.00 C ATOM 1315 CG2 VAL A 80 -10.585 5.146 12.105 1.00 0.00 C ATOM 0 H VAL A 80 -11.189 7.744 10.493 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.160 7.686 13.257 1.00 0.00 H new ATOM 0 HB VAL A 80 -9.153 6.108 10.853 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.923 4.809 12.543 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.455 6.526 12.559 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.541 5.888 13.816 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.214 4.143 11.893 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -10.931 5.195 13.137 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.413 5.376 11.434 1.00 0.00 H new ATOM 1325 N VAL A 81 -9.267 9.613 11.032 1.00 0.00 N ATOM 1326 CA VAL A 81 -8.322 10.629 10.583 1.00 0.00 C ATOM 1327 C VAL A 81 -9.004 11.987 10.444 1.00 0.00 C ATOM 1328 O VAL A 81 -10.179 12.069 10.088 1.00 0.00 O ATOM 1329 CB VAL A 81 -7.680 10.242 9.236 1.00 0.00 C ATOM 1330 CG1 VAL A 81 -8.740 10.114 8.152 1.00 0.00 C ATOM 1331 CG2 VAL A 81 -6.618 11.255 8.837 1.00 0.00 C ATOM 0 H VAL A 81 -10.228 9.765 10.725 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.540 10.696 11.340 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.197 9.272 9.354 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.266 9.840 7.210 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.458 9.344 8.434 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.257 11.066 8.035 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.177 10.964 7.884 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.073 12.241 8.740 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.841 11.288 9.601 1.00 0.00 H new ATOM 1341 N SER A 82 -8.259 13.051 10.729 1.00 0.00 N ATOM 1342 CA SER A 82 -8.794 14.405 10.638 1.00 0.00 C ATOM 1343 C SER A 82 -8.901 14.852 9.183 1.00 0.00 C ATOM 1344 O SER A 82 -8.101 14.452 8.337 1.00 0.00 O ATOM 1345 CB SER A 82 -7.909 15.378 11.418 1.00 0.00 C ATOM 1346 OG SER A 82 -7.152 14.701 12.407 1.00 0.00 O ATOM 0 H SER A 82 -7.284 13.002 11.025 1.00 0.00 H new ATOM 0 HA SER A 82 -9.793 14.404 11.073 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.237 15.893 10.731 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.529 16.140 11.889 1.00 0.00 H new ATOM 0 HG SER A 82 -6.594 15.346 12.890 1.00 0.00 H new ATOM 1352 N ALA A 83 -9.898 15.685 8.900 1.00 0.00 N ATOM 1353 CA ALA A 83 -10.114 16.190 7.549 1.00 0.00 C ATOM 1354 C ALA A 83 -8.891 16.947 7.044 1.00 0.00 C ATOM 1355 O ALA A 83 -8.476 16.780 5.896 1.00 0.00 O ATOM 1356 CB ALA A 83 -11.343 17.085 7.513 1.00 0.00 C ATOM 0 H ALA A 83 -10.569 16.024 9.589 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.278 15.338 6.890 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.494 17.456 6.499 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.218 16.514 7.824 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.200 17.927 8.190 1.00 0.00 H new ATOM 1362 N GLN A 84 -8.318 17.782 7.906 1.00 0.00 N ATOM 1363 CA GLN A 84 -7.143 18.569 7.546 1.00 0.00 C ATOM 1364 C GLN A 84 -6.013 17.672 7.050 1.00 0.00 C ATOM 1365 O GLN A 84 -5.355 17.979 6.057 1.00 0.00 O ATOM 1366 CB GLN A 84 -6.670 19.392 8.748 1.00 0.00 C ATOM 1367 CG GLN A 84 -7.095 20.850 8.692 1.00 0.00 C ATOM 1368 CD GLN A 84 -5.921 21.805 8.799 1.00 0.00 C ATOM 1369 OE1 GLN A 84 -5.741 22.472 9.818 1.00 0.00 O ATOM 1370 NE2 GLN A 84 -5.118 21.875 7.745 1.00 0.00 N ATOM 0 H GLN A 84 -8.649 17.931 8.859 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.423 19.244 6.737 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -7.061 18.943 9.661 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -5.583 19.341 8.807 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -7.625 21.034 7.757 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.797 21.051 9.501 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -5.306 21.303 6.922 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -4.313 22.501 7.758 1.00 0.00 H new ATOM 1379 N ALA A 85 -5.793 16.563 7.749 1.00 0.00 N ATOM 1380 CA ALA A 85 -4.743 15.623 7.379 1.00 0.00 C ATOM 1381 C ALA A 85 -5.006 15.022 6.002 1.00 0.00 C ATOM 1382 O ALA A 85 -4.082 14.827 5.213 1.00 0.00 O ATOM 1383 CB ALA A 85 -4.626 14.524 8.424 1.00 0.00 C ATOM 0 H ALA A 85 -6.328 16.294 8.575 1.00 0.00 H new ATOM 0 HA ALA A 85 -3.800 16.168 7.335 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.838 13.829 8.134 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.384 14.965 9.391 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.573 13.989 8.497 1.00 0.00 H new ATOM 1389 N VAL A 86 -6.271 14.725 5.723 1.00 0.00 N ATOM 1390 CA VAL A 86 -6.656 14.143 4.442 1.00 0.00 C ATOM 1391 C VAL A 86 -6.374 15.103 3.290 1.00 0.00 C ATOM 1392 O VAL A 86 -5.813 14.711 2.267 1.00 0.00 O ATOM 1393 CB VAL A 86 -8.150 13.764 4.425 1.00 0.00 C ATOM 1394 CG1 VAL A 86 -8.506 13.037 3.137 1.00 0.00 C ATOM 1395 CG2 VAL A 86 -8.501 12.916 5.639 1.00 0.00 C ATOM 0 H VAL A 86 -7.047 14.878 6.367 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.056 13.242 4.313 1.00 0.00 H new ATOM 0 HB VAL A 86 -8.737 14.682 4.469 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.565 12.779 3.146 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.297 13.684 2.285 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -7.911 12.127 3.056 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -9.560 12.659 5.609 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.905 12.003 5.630 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.290 13.478 6.549 1.00 0.00 H new ATOM 1405 N VAL A 87 -6.773 16.358 3.461 1.00 0.00 N ATOM 1406 CA VAL A 87 -6.570 17.372 2.433 1.00 0.00 C ATOM 1407 C VAL A 87 -5.107 17.794 2.347 1.00 0.00 C ATOM 1408 O VAL A 87 -4.584 18.041 1.260 1.00 0.00 O ATOM 1409 CB VAL A 87 -7.435 18.619 2.700 1.00 0.00 C ATOM 1410 CG1 VAL A 87 -7.326 19.606 1.549 1.00 0.00 C ATOM 1411 CG2 VAL A 87 -8.885 18.218 2.937 1.00 0.00 C ATOM 0 H VAL A 87 -7.239 16.698 4.302 1.00 0.00 H new ATOM 0 HA VAL A 87 -6.868 16.922 1.486 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.065 19.110 3.600 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.945 20.479 1.758 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.288 19.916 1.433 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -7.668 19.131 0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -9.483 19.110 3.124 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.268 17.702 2.057 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -8.943 17.555 3.800 1.00 0.00 H new ATOM 1421 N ALA A 88 -4.451 17.882 3.499 1.00 0.00 N ATOM 1422 CA ALA A 88 -3.049 18.281 3.551 1.00 0.00 C ATOM 1423 C ALA A 88 -2.117 17.097 3.304 1.00 0.00 C ATOM 1424 O ALA A 88 -0.923 17.279 3.068 1.00 0.00 O ATOM 1425 CB ALA A 88 -2.737 18.926 4.893 1.00 0.00 C ATOM 0 H ALA A 88 -4.867 17.683 4.409 1.00 0.00 H new ATOM 0 HA ALA A 88 -2.880 19.007 2.756 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.688 19.220 4.920 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.364 19.807 5.028 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.935 18.214 5.694 1.00 0.00 H new ATOM 1431 N GLY A 89 -2.664 15.885 3.361 1.00 0.00 N ATOM 1432 CA GLY A 89 -1.856 14.698 3.141 1.00 0.00 C ATOM 1433 C GLY A 89 -0.687 14.607 4.104 1.00 0.00 C ATOM 1434 O GLY A 89 0.394 14.148 3.735 1.00 0.00 O ATOM 0 H GLY A 89 -3.649 15.704 3.555 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.481 13.811 3.248 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.481 14.702 2.118 1.00 0.00 H new ATOM 1438 N SER A 90 -0.904 15.048 5.338 1.00 0.00 N ATOM 1439 CA SER A 90 0.139 15.018 6.357 1.00 0.00 C ATOM 1440 C SER A 90 0.195 13.659 7.048 1.00 0.00 C ATOM 1441 O SER A 90 1.237 13.261 7.569 1.00 0.00 O ATOM 1442 CB SER A 90 -0.098 16.118 7.393 1.00 0.00 C ATOM 1443 OG SER A 90 -1.217 15.818 8.210 1.00 0.00 O ATOM 0 H SER A 90 -1.794 15.431 5.657 1.00 0.00 H new ATOM 0 HA SER A 90 1.095 15.191 5.862 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.790 16.233 8.015 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.258 17.070 6.887 1.00 0.00 H new ATOM 0 HG SER A 90 -1.346 16.536 8.865 1.00 0.00 H new ATOM 1449 N ASP A 91 -0.929 12.950 7.051 1.00 0.00 N ATOM 1450 CA ASP A 91 -1.001 11.637 7.683 1.00 0.00 C ATOM 1451 C ASP A 91 -1.319 10.551 6.655 1.00 0.00 C ATOM 1452 O ASP A 91 -2.465 10.120 6.530 1.00 0.00 O ATOM 1453 CB ASP A 91 -2.060 11.636 8.785 1.00 0.00 C ATOM 1454 CG ASP A 91 -1.476 11.947 10.149 1.00 0.00 C ATOM 1455 OD1 ASP A 91 -0.631 11.160 10.626 1.00 0.00 O ATOM 1456 OD2 ASP A 91 -1.864 12.976 10.740 1.00 0.00 O ATOM 0 H ASP A 91 -1.801 13.262 6.624 1.00 0.00 H new ATOM 0 HA ASP A 91 -0.027 11.421 8.123 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -2.829 12.370 8.546 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.548 10.662 8.815 1.00 0.00 H new ATOM 1461 N PRO A 92 -0.303 10.092 5.904 1.00 0.00 N ATOM 1462 CA PRO A 92 -0.482 9.050 4.886 1.00 0.00 C ATOM 1463 C PRO A 92 -1.040 7.761 5.477 1.00 0.00 C ATOM 1464 O PRO A 92 -1.927 7.135 4.899 1.00 0.00 O ATOM 1465 CB PRO A 92 0.933 8.820 4.344 1.00 0.00 C ATOM 1466 CG PRO A 92 1.689 10.054 4.697 1.00 0.00 C ATOM 1467 CD PRO A 92 1.096 10.546 5.986 1.00 0.00 C ATOM 0 HA PRO A 92 -1.197 9.351 4.120 1.00 0.00 H new ATOM 0 HB2 PRO A 92 1.388 7.937 4.792 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.921 8.660 3.266 1.00 0.00 H new ATOM 0 HG2 PRO A 92 2.752 9.841 4.812 1.00 0.00 H new ATOM 0 HG3 PRO A 92 1.598 10.806 3.913 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.607 10.124 6.852 1.00 0.00 H new ATOM 0 HD3 PRO A 92 1.164 11.630 6.073 1.00 0.00 H new ATOM 1475 N LEU A 93 -0.512 7.370 6.632 1.00 0.00 N ATOM 1476 CA LEU A 93 -0.958 6.155 7.305 1.00 0.00 C ATOM 1477 C LEU A 93 -2.442 6.231 7.641 1.00 0.00 C ATOM 1478 O LEU A 93 -3.156 5.230 7.574 1.00 0.00 O ATOM 1479 CB LEU A 93 -0.145 5.928 8.581 1.00 0.00 C ATOM 1480 CG LEU A 93 -0.133 4.484 9.092 1.00 0.00 C ATOM 1481 CD1 LEU A 93 1.284 3.932 9.112 1.00 0.00 C ATOM 1482 CD2 LEU A 93 -0.756 4.400 10.479 1.00 0.00 C ATOM 0 H LEU A 93 0.225 7.877 7.122 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.801 5.316 6.627 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.883 6.242 8.400 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.541 6.572 9.366 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.728 3.877 8.409 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.269 2.905 9.478 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.696 3.952 8.103 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.903 4.543 9.769 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.738 3.366 10.824 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.189 5.023 11.171 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.787 4.750 10.436 1.00 0.00 H new ATOM 1494 N GLY A 94 -2.902 7.423 8.002 1.00 0.00 N ATOM 1495 CA GLY A 94 -4.299 7.607 8.344 1.00 0.00 C ATOM 1496 C GLY A 94 -5.216 7.444 7.148 1.00 0.00 C ATOM 1497 O GLY A 94 -6.285 6.842 7.254 1.00 0.00 O ATOM 0 H GLY A 94 -2.331 8.266 8.064 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -4.579 6.887 9.113 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.437 8.600 8.771 1.00 0.00 H new ATOM 1501 N LEU A 95 -4.799 7.984 6.007 1.00 0.00 N ATOM 1502 CA LEU A 95 -5.595 7.897 4.786 1.00 0.00 C ATOM 1503 C LEU A 95 -5.789 6.443 4.364 1.00 0.00 C ATOM 1504 O LEU A 95 -6.886 6.041 3.978 1.00 0.00 O ATOM 1505 CB LEU A 95 -4.919 8.680 3.659 1.00 0.00 C ATOM 1506 CG LEU A 95 -5.002 10.205 3.788 1.00 0.00 C ATOM 1507 CD1 LEU A 95 -3.646 10.841 3.526 1.00 0.00 C ATOM 1508 CD2 LEU A 95 -6.049 10.765 2.834 1.00 0.00 C ATOM 0 H LEU A 95 -3.917 8.485 5.902 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.574 8.331 4.988 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.869 8.391 3.616 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -5.370 8.386 2.711 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.301 10.447 4.808 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.727 11.924 3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.922 10.465 4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.315 10.590 2.518 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.094 11.849 2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.780 10.511 1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.023 10.336 3.070 1.00 0.00 H new ATOM 1520 N ILE A 96 -4.718 5.661 4.439 1.00 0.00 N ATOM 1521 CA ILE A 96 -4.771 4.253 4.064 1.00 0.00 C ATOM 1522 C ILE A 96 -5.629 3.455 5.042 1.00 0.00 C ATOM 1523 O ILE A 96 -6.400 2.584 4.639 1.00 0.00 O ATOM 1524 CB ILE A 96 -3.360 3.633 4.008 1.00 0.00 C ATOM 1525 CG1 ILE A 96 -2.445 4.479 3.121 1.00 0.00 C ATOM 1526 CG2 ILE A 96 -3.426 2.199 3.495 1.00 0.00 C ATOM 1527 CD1 ILE A 96 -2.880 4.523 1.672 1.00 0.00 C ATOM 0 H ILE A 96 -3.802 5.978 4.756 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.219 4.206 3.072 1.00 0.00 H new ATOM 0 HB ILE A 96 -2.947 3.616 5.017 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.411 5.496 3.513 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.431 4.082 3.176 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.421 1.778 3.462 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.048 1.602 4.162 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.856 2.190 2.493 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.186 5.140 1.102 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.887 3.513 1.263 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.882 4.948 1.606 1.00 0.00 H new ATOM 1539 N ALA A 97 -5.486 3.753 6.330 1.00 0.00 N ATOM 1540 CA ALA A 97 -6.243 3.061 7.367 1.00 0.00 C ATOM 1541 C ALA A 97 -7.744 3.153 7.112 1.00 0.00 C ATOM 1542 O ALA A 97 -8.462 2.156 7.200 1.00 0.00 O ATOM 1543 CB ALA A 97 -5.905 3.632 8.735 1.00 0.00 C ATOM 0 H ALA A 97 -4.851 4.471 6.681 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.962 2.008 7.342 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.477 3.107 9.500 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.840 3.507 8.928 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.156 4.692 8.759 1.00 0.00 H new ATOM 1549 N TYR A 98 -8.215 4.356 6.797 1.00 0.00 N ATOM 1550 CA TYR A 98 -9.632 4.576 6.531 1.00 0.00 C ATOM 1551 C TYR A 98 -10.053 3.909 5.226 1.00 0.00 C ATOM 1552 O TYR A 98 -11.138 3.336 5.133 1.00 0.00 O ATOM 1553 CB TYR A 98 -9.935 6.073 6.475 1.00 0.00 C ATOM 1554 CG TYR A 98 -11.314 6.431 6.981 1.00 0.00 C ATOM 1555 CD1 TYR A 98 -11.778 5.939 8.194 1.00 0.00 C ATOM 1556 CD2 TYR A 98 -12.152 7.261 6.247 1.00 0.00 C ATOM 1557 CE1 TYR A 98 -13.038 6.263 8.662 1.00 0.00 C ATOM 1558 CE2 TYR A 98 -13.412 7.590 6.706 1.00 0.00 C ATOM 1559 CZ TYR A 98 -13.851 7.088 7.914 1.00 0.00 C ATOM 1560 OH TYR A 98 -15.105 7.414 8.377 1.00 0.00 O ATOM 0 H TYR A 98 -7.636 5.192 6.720 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.202 4.128 7.345 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -9.191 6.608 7.065 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.834 6.417 5.446 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -11.144 5.292 8.782 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -11.812 7.656 5.301 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -13.383 5.872 9.608 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -14.051 8.237 6.123 1.00 0.00 H new ATOM 0 HH TYR A 98 -15.549 8.004 7.732 1.00 0.00 H new ATOM 1570 N LEU A 99 -9.189 3.991 4.219 1.00 0.00 N ATOM 1571 CA LEU A 99 -9.473 3.396 2.919 1.00 0.00 C ATOM 1572 C LEU A 99 -9.623 1.882 3.032 1.00 0.00 C ATOM 1573 O LEU A 99 -10.394 1.268 2.297 1.00 0.00 O ATOM 1574 CB LEU A 99 -8.361 3.739 1.924 1.00 0.00 C ATOM 1575 CG LEU A 99 -8.648 4.939 1.021 1.00 0.00 C ATOM 1576 CD1 LEU A 99 -9.845 4.656 0.124 1.00 0.00 C ATOM 1577 CD2 LEU A 99 -8.887 6.190 1.856 1.00 0.00 C ATOM 0 H LEU A 99 -8.287 4.464 4.279 1.00 0.00 H new ATOM 0 HA LEU A 99 -10.415 3.808 2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.444 3.933 2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.175 2.868 1.296 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.778 5.111 0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -10.035 5.520 -0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -9.635 3.786 -0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -10.722 4.458 0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -9.090 7.034 1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -9.741 6.030 2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -8.002 6.402 2.455 1.00 0.00 H new ATOM 1589 N SER A 100 -8.881 1.286 3.961 1.00 0.00 N ATOM 1590 CA SER A 100 -8.932 -0.156 4.170 1.00 0.00 C ATOM 1591 C SER A 100 -10.296 -0.581 4.703 1.00 0.00 C ATOM 1592 O SER A 100 -10.820 -1.631 4.327 1.00 0.00 O ATOM 1593 CB SER A 100 -7.835 -0.589 5.144 1.00 0.00 C ATOM 1594 OG SER A 100 -7.279 -1.837 4.765 1.00 0.00 O ATOM 0 H SER A 100 -8.238 1.780 4.580 1.00 0.00 H new ATOM 0 HA SER A 100 -8.770 -0.643 3.209 1.00 0.00 H new ATOM 0 HB2 SER A 100 -7.051 0.168 5.173 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.246 -0.661 6.151 1.00 0.00 H new ATOM 0 HG SER A 100 -6.579 -2.090 5.403 1.00 0.00 H new ATOM 1600 N HIS A 101 -10.865 0.239 5.579 1.00 0.00 N ATOM 1601 CA HIS A 101 -12.169 -0.053 6.165 1.00 0.00 C ATOM 1602 C HIS A 101 -13.276 0.068 5.123 1.00 0.00 C ATOM 1603 O HIS A 101 -14.159 -0.785 5.037 1.00 0.00 O ATOM 1604 CB HIS A 101 -12.449 0.890 7.336 1.00 0.00 C ATOM 1605 CG HIS A 101 -13.432 0.344 8.325 1.00 0.00 C ATOM 1606 ND1 HIS A 101 -13.968 0.898 9.439 1.00 0.00 N flip ATOM 1607 CD2 HIS A 101 -13.977 -0.919 8.227 1.00 0.00 C flip ATOM 1608 CE1 HIS A 101 -14.818 -0.032 9.987 1.00 0.00 C flip ATOM 1609 NE2 HIS A 101 -14.806 -1.118 9.237 1.00 0.00 N flip ATOM 0 H HIS A 101 -10.444 1.111 5.899 1.00 0.00 H new ATOM 0 HA HIS A 101 -12.152 -1.080 6.531 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -11.512 1.106 7.849 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -12.825 1.836 6.947 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -13.760 -1.634 7.447 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -15.401 0.104 10.886 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -15.345 -1.967 9.408 1.00 0.00 H new ATOM 1618 N PHE A 102 -13.224 1.136 4.332 1.00 0.00 N ATOM 1619 CA PHE A 102 -14.222 1.370 3.296 1.00 0.00 C ATOM 1620 C PHE A 102 -14.211 0.245 2.265 1.00 0.00 C ATOM 1621 O PHE A 102 -15.253 -0.123 1.723 1.00 0.00 O ATOM 1622 CB PHE A 102 -13.970 2.715 2.610 1.00 0.00 C ATOM 1623 CG PHE A 102 -15.004 3.755 2.934 1.00 0.00 C ATOM 1624 CD1 PHE A 102 -15.201 4.172 4.240 1.00 0.00 C ATOM 1625 CD2 PHE A 102 -15.779 4.316 1.930 1.00 0.00 C ATOM 1626 CE1 PHE A 102 -16.152 5.129 4.540 1.00 0.00 C ATOM 1627 CE2 PHE A 102 -16.731 5.272 2.225 1.00 0.00 C ATOM 1628 CZ PHE A 102 -16.918 5.681 3.532 1.00 0.00 C ATOM 0 H PHE A 102 -12.501 1.853 4.390 1.00 0.00 H new ATOM 0 HA PHE A 102 -15.204 1.392 3.769 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -12.988 3.086 2.904 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -13.943 2.564 1.531 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -14.605 3.745 5.033 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -15.637 4.002 0.907 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -16.296 5.445 5.563 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -17.329 5.700 1.434 1.00 0.00 H new ATOM 0 HZ PHE A 102 -17.661 6.430 3.764 1.00 0.00 H new ATOM 1638 N HIS A 103 -13.027 -0.296 2.001 1.00 0.00 N ATOM 1639 CA HIS A 103 -12.879 -1.379 1.033 1.00 0.00 C ATOM 1640 C HIS A 103 -13.663 -2.612 1.473 1.00 0.00 C ATOM 1641 O HIS A 103 -14.325 -3.260 0.662 1.00 0.00 O ATOM 1642 CB HIS A 103 -11.403 -1.736 0.857 1.00 0.00 C ATOM 1643 CG HIS A 103 -11.142 -2.653 -0.297 1.00 0.00 C ATOM 1644 ND1 HIS A 103 -11.485 -3.989 -0.288 1.00 0.00 N ATOM 1645 CD2 HIS A 103 -10.567 -2.421 -1.500 1.00 0.00 C ATOM 1646 CE1 HIS A 103 -11.131 -4.539 -1.436 1.00 0.00 C ATOM 1647 NE2 HIS A 103 -10.574 -3.608 -2.189 1.00 0.00 N ATOM 0 H HIS A 103 -12.156 -0.003 2.443 1.00 0.00 H new ATOM 0 HA HIS A 103 -13.279 -1.037 0.079 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -10.830 -0.819 0.719 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -11.039 -2.204 1.772 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -10.176 -1.478 -1.852 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -11.273 -5.574 -1.712 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -10.208 -3.748 -3.131 1.00 0.00 H new ATOM 1656 N SER A 104 -13.581 -2.931 2.760 1.00 0.00 N ATOM 1657 CA SER A 104 -14.282 -4.088 3.308 1.00 0.00 C ATOM 1658 C SER A 104 -15.793 -3.918 3.188 1.00 0.00 C ATOM 1659 O SER A 104 -16.510 -4.862 2.858 1.00 0.00 O ATOM 1660 CB SER A 104 -13.896 -4.297 4.772 1.00 0.00 C ATOM 1661 OG SER A 104 -14.525 -3.341 5.608 1.00 0.00 O ATOM 0 H SER A 104 -13.036 -2.405 3.444 1.00 0.00 H new ATOM 0 HA SER A 104 -13.987 -4.965 2.732 1.00 0.00 H new ATOM 0 HB2 SER A 104 -14.180 -5.302 5.086 1.00 0.00 H new ATOM 0 HB3 SER A 104 -12.814 -4.223 4.880 1.00 0.00 H new ATOM 0 HG SER A 104 -14.311 -2.439 5.292 1.00 0.00 H new ATOM 1667 N ALA A 105 -16.272 -2.708 3.459 1.00 0.00 N ATOM 1668 CA ALA A 105 -17.698 -2.416 3.384 1.00 0.00 C ATOM 1669 C ALA A 105 -18.206 -2.520 1.950 1.00 0.00 C ATOM 1670 O ALA A 105 -19.300 -3.028 1.704 1.00 0.00 O ATOM 1671 CB ALA A 105 -17.982 -1.031 3.948 1.00 0.00 C ATOM 0 H ALA A 105 -15.693 -1.914 3.733 1.00 0.00 H new ATOM 0 HA ALA A 105 -18.228 -3.157 3.983 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -19.051 -0.825 3.886 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -17.664 -0.990 4.990 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -17.435 -0.284 3.372 1.00 0.00 H new ATOM 1677 N PHE A 106 -17.406 -2.035 1.005 1.00 0.00 N ATOM 1678 CA PHE A 106 -17.776 -2.072 -0.403 1.00 0.00 C ATOM 1679 C PHE A 106 -17.853 -3.508 -0.909 1.00 0.00 C ATOM 1680 O PHE A 106 -18.723 -3.847 -1.713 1.00 0.00 O ATOM 1681 CB PHE A 106 -16.765 -1.281 -1.233 1.00 0.00 C ATOM 1682 CG PHE A 106 -17.001 0.203 -1.211 1.00 0.00 C ATOM 1683 CD1 PHE A 106 -17.315 0.855 -0.028 1.00 0.00 C ATOM 1684 CD2 PHE A 106 -16.908 0.946 -2.376 1.00 0.00 C ATOM 1685 CE1 PHE A 106 -17.532 2.220 -0.008 1.00 0.00 C ATOM 1686 CE2 PHE A 106 -17.124 2.312 -2.363 1.00 0.00 C ATOM 1687 CZ PHE A 106 -17.435 2.948 -1.178 1.00 0.00 C ATOM 0 H PHE A 106 -16.497 -1.612 1.191 1.00 0.00 H new ATOM 0 HA PHE A 106 -18.761 -1.617 -0.508 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -15.761 -1.487 -0.861 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -16.801 -1.631 -2.265 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -17.391 0.289 0.889 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -16.664 0.453 -3.305 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -17.777 2.716 0.920 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -17.049 2.880 -3.278 1.00 0.00 H new ATOM 0 HZ PHE A 106 -17.603 4.015 -1.166 1.00 0.00 H new ATOM 1697 N LYS A 107 -16.938 -4.347 -0.436 1.00 0.00 N ATOM 1698 CA LYS A 107 -16.903 -5.747 -0.842 1.00 0.00 C ATOM 1699 C LYS A 107 -18.208 -6.450 -0.484 1.00 0.00 C ATOM 1700 O LYS A 107 -18.630 -7.383 -1.169 1.00 0.00 O ATOM 1701 CB LYS A 107 -15.725 -6.464 -0.180 1.00 0.00 C ATOM 1702 CG LYS A 107 -15.233 -7.672 -0.958 1.00 0.00 C ATOM 1703 CD LYS A 107 -14.503 -7.260 -2.225 1.00 0.00 C ATOM 1704 CE LYS A 107 -14.445 -8.399 -3.231 1.00 0.00 C ATOM 1705 NZ LYS A 107 -13.911 -7.953 -4.547 1.00 0.00 N ATOM 0 H LYS A 107 -16.211 -4.082 0.229 1.00 0.00 H new ATOM 0 HA LYS A 107 -16.777 -5.782 -1.924 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -14.902 -5.759 -0.061 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -16.020 -6.782 0.820 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -14.567 -8.264 -0.330 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -16.079 -8.309 -1.215 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -15.005 -6.403 -2.673 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -13.491 -6.942 -1.976 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -13.818 -9.199 -2.837 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -15.444 -8.814 -3.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -13.888 -8.759 -5.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -14.523 -7.207 -4.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -12.948 -7.580 -4.423 1.00 0.00 H new ATOM 1719 N SER A 108 -18.843 -5.998 0.592 1.00 0.00 N ATOM 1720 CA SER A 108 -20.102 -6.583 1.039 1.00 0.00 C ATOM 1721 C SER A 108 -21.289 -5.752 0.563 1.00 0.00 C ATOM 1722 O SER A 108 -22.041 -6.172 -0.316 1.00 0.00 O ATOM 1723 CB SER A 108 -20.121 -6.698 2.565 1.00 0.00 C ATOM 1724 OG SER A 108 -19.631 -7.957 2.989 1.00 0.00 O ATOM 0 H SER A 108 -18.507 -5.228 1.171 1.00 0.00 H new ATOM 0 HA SER A 108 -20.185 -7.580 0.606 1.00 0.00 H new ATOM 0 HB2 SER A 108 -19.515 -5.903 3.000 1.00 0.00 H new ATOM 0 HB3 SER A 108 -21.138 -6.559 2.930 1.00 0.00 H new ATOM 0 HG SER A 108 -19.652 -8.004 3.968 1.00 0.00 H new ATOM 1730 N MET A 109 -21.451 -4.571 1.150 1.00 0.00 N ATOM 1731 CA MET A 109 -22.548 -3.681 0.786 1.00 0.00 C ATOM 1732 C MET A 109 -22.467 -3.292 -0.687 1.00 0.00 C ATOM 1733 O MET A 109 -21.557 -2.514 -1.044 1.00 0.00 O ATOM 1734 CB MET A 109 -22.524 -2.424 1.657 1.00 0.00 C ATOM 1735 CG MET A 109 -23.907 -1.902 2.010 1.00 0.00 C ATOM 1736 SD MET A 109 -24.751 -1.161 0.599 1.00 0.00 S ATOM 1737 CE MET A 109 -25.905 -0.073 1.429 1.00 0.00 C ATOM 1738 OXT MET A 109 -23.312 -3.772 -1.470 1.00 0.00 O ATOM 0 H MET A 109 -20.837 -4.208 1.879 1.00 0.00 H new ATOM 0 HA MET A 109 -23.484 -4.213 0.953 1.00 0.00 H new ATOM 0 HB2 MET A 109 -21.981 -2.640 2.577 1.00 0.00 H new ATOM 0 HB3 MET A 109 -21.972 -1.642 1.136 1.00 0.00 H new ATOM 0 HG2 MET A 109 -24.511 -2.721 2.401 1.00 0.00 H new ATOM 0 HG3 MET A 109 -23.820 -1.162 2.806 1.00 0.00 H new ATOM 0 HE1 MET A 109 -26.584 0.364 0.697 1.00 0.00 H new ATOM 0 HE2 MET A 109 -26.478 -0.641 2.162 1.00 0.00 H new ATOM 0 HE3 MET A 109 -25.356 0.722 1.934 1.00 0.00 H new TER 1748 MET A 109