USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 562 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 171:sc= 0 (180deg=-0.00684) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0647 X(o=-0.065,f=0) USER MOD Single : A 28 SER OG : rot -36:sc= 0.484 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.697 K(o=-0.7,f=-3.3!) USER MOD Single : A 45 GLN : amide:sc=-0.00967 X(o=-0.0097,f=-0.038) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -45:sc= 0.89 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 76:sc= 1.25 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.215 -11.712 23.889 1.00 0.00 N ATOM 2 CA MET A 1 -3.598 -13.014 23.698 1.00 0.00 C ATOM 3 C MET A 1 -4.647 -14.128 23.725 1.00 0.00 C ATOM 4 O MET A 1 -5.083 -14.549 24.795 1.00 0.00 O ATOM 5 CB MET A 1 -2.567 -13.257 24.802 1.00 0.00 C ATOM 6 CG MET A 1 -1.179 -12.778 24.371 1.00 0.00 C ATOM 7 SD MET A 1 -0.178 -12.433 25.808 1.00 0.00 S ATOM 8 CE MET A 1 1.445 -12.760 25.142 1.00 0.00 C ATOM 0 H1 MET A 1 -3.475 -10.993 24.019 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.787 -11.473 23.054 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.825 -11.737 24.731 1.00 0.00 H new ATOM 0 HA MET A 1 -3.110 -13.024 22.723 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.870 -12.735 25.709 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.530 -14.319 25.043 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.697 -13.539 23.756 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.269 -11.882 23.757 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.196 -12.592 25.914 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.498 -13.795 24.804 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.634 -12.093 24.301 1.00 0.00 H new ATOM 18 N SER A 2 -5.022 -14.573 22.535 1.00 0.00 N ATOM 19 CA SER A 2 -6.011 -15.629 22.408 1.00 0.00 C ATOM 20 C SER A 2 -5.958 -16.231 21.003 1.00 0.00 C ATOM 21 O SER A 2 -4.990 -16.024 20.271 1.00 0.00 O ATOM 22 CB SER A 2 -7.417 -15.105 22.708 1.00 0.00 C ATOM 23 OG SER A 2 -8.116 -15.946 23.622 1.00 0.00 O ATOM 0 H SER A 2 -4.658 -14.221 21.649 1.00 0.00 H new ATOM 0 HA SER A 2 -5.778 -16.405 23.137 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.348 -14.099 23.121 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.982 -15.030 21.779 1.00 0.00 H new ATOM 0 HG SER A 2 -9.008 -15.577 23.789 1.00 0.00 H new ATOM 29 N LEU A 3 -7.009 -16.964 20.667 1.00 0.00 N ATOM 30 CA LEU A 3 -7.094 -17.597 19.362 1.00 0.00 C ATOM 31 C LEU A 3 -7.997 -16.762 18.452 1.00 0.00 C ATOM 32 O LEU A 3 -7.718 -16.610 17.264 1.00 0.00 O ATOM 33 CB LEU A 3 -7.539 -19.054 19.501 1.00 0.00 C ATOM 34 CG LEU A 3 -6.637 -20.098 18.839 1.00 0.00 C ATOM 35 CD1 LEU A 3 -5.673 -20.714 19.855 1.00 0.00 C ATOM 36 CD2 LEU A 3 -7.468 -21.162 18.118 1.00 0.00 C ATOM 0 H LEU A 3 -7.809 -17.134 21.276 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.112 -17.632 18.891 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.616 -19.290 20.562 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.540 -19.149 19.080 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.031 -19.597 18.084 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.044 -21.452 19.358 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.046 -19.932 20.282 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.242 -21.197 20.649 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.803 -21.892 17.656 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.117 -21.665 18.835 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.077 -20.688 17.348 1.00 0.00 H new ATOM 48 N GLY A 4 -9.062 -16.243 19.045 1.00 0.00 N ATOM 49 CA GLY A 4 -10.008 -15.427 18.303 1.00 0.00 C ATOM 50 C GLY A 4 -9.376 -14.099 17.883 1.00 0.00 C ATOM 51 O GLY A 4 -9.440 -13.719 16.715 1.00 0.00 O ATOM 0 H GLY A 4 -9.291 -16.372 20.031 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.346 -15.968 17.419 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.889 -15.237 18.916 1.00 0.00 H new ATOM 55 N VAL A 5 -8.779 -13.430 18.858 1.00 0.00 N ATOM 56 CA VAL A 5 -8.135 -12.152 18.604 1.00 0.00 C ATOM 57 C VAL A 5 -7.021 -12.343 17.573 1.00 0.00 C ATOM 58 O VAL A 5 -6.681 -11.414 16.842 1.00 0.00 O ATOM 59 CB VAL A 5 -7.636 -11.547 19.918 1.00 0.00 C ATOM 60 CG1 VAL A 5 -6.390 -12.281 20.420 1.00 0.00 C ATOM 61 CG2 VAL A 5 -7.365 -10.049 19.764 1.00 0.00 C ATOM 0 H VAL A 5 -8.727 -13.749 19.826 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.848 -11.442 18.185 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.421 -11.670 20.664 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.055 -11.832 21.355 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.629 -13.331 20.587 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.597 -12.203 19.676 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.012 -9.644 20.712 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.606 -9.894 18.997 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.284 -9.541 19.473 1.00 0.00 H new ATOM 71 N LEU A 6 -6.485 -13.555 17.546 1.00 0.00 N ATOM 72 CA LEU A 6 -5.417 -13.880 16.616 1.00 0.00 C ATOM 73 C LEU A 6 -5.947 -13.787 15.184 1.00 0.00 C ATOM 74 O LEU A 6 -5.357 -13.111 14.342 1.00 0.00 O ATOM 75 CB LEU A 6 -4.804 -15.239 16.958 1.00 0.00 C ATOM 76 CG LEU A 6 -3.559 -15.633 16.161 1.00 0.00 C ATOM 77 CD1 LEU A 6 -3.057 -17.017 16.577 1.00 0.00 C ATOM 78 CD2 LEU A 6 -3.821 -15.547 14.656 1.00 0.00 C ATOM 0 H LEU A 6 -6.771 -14.323 18.153 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.604 -13.159 16.702 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.549 -15.244 18.018 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.564 -16.006 16.809 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.767 -14.920 16.391 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.171 -17.273 15.995 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.805 -17.009 17.637 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.837 -17.757 16.395 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.920 -15.832 14.113 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.634 -16.222 14.389 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.096 -14.526 14.392 1.00 0.00 H new ATOM 90 N ALA A 7 -7.056 -14.474 14.951 1.00 0.00 N ATOM 91 CA ALA A 7 -7.672 -14.478 13.636 1.00 0.00 C ATOM 92 C ALA A 7 -7.976 -13.038 13.216 1.00 0.00 C ATOM 93 O ALA A 7 -7.945 -12.714 12.030 1.00 0.00 O ATOM 94 CB ALA A 7 -8.926 -15.355 13.662 1.00 0.00 C ATOM 0 H ALA A 7 -7.544 -15.032 15.652 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.994 -14.901 12.895 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.388 -15.358 12.675 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.652 -16.373 13.938 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.632 -14.959 14.392 1.00 0.00 H new ATOM 100 N ALA A 8 -8.265 -12.214 14.212 1.00 0.00 N ATOM 101 CA ALA A 8 -8.575 -10.817 13.961 1.00 0.00 C ATOM 102 C ALA A 8 -7.317 -10.101 13.463 1.00 0.00 C ATOM 103 O ALA A 8 -7.404 -9.169 12.666 1.00 0.00 O ATOM 104 CB ALA A 8 -9.140 -10.182 15.234 1.00 0.00 C ATOM 0 H ALA A 8 -8.291 -12.487 15.194 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.336 -10.727 13.185 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.372 -9.134 15.045 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.048 -10.707 15.531 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.403 -10.252 16.034 1.00 0.00 H new ATOM 110 N ALA A 9 -6.177 -10.566 13.953 1.00 0.00 N ATOM 111 CA ALA A 9 -4.904 -9.983 13.567 1.00 0.00 C ATOM 112 C ALA A 9 -4.591 -10.364 12.118 1.00 0.00 C ATOM 113 O ALA A 9 -3.919 -9.618 11.408 1.00 0.00 O ATOM 114 CB ALA A 9 -3.816 -10.443 14.539 1.00 0.00 C ATOM 0 H ALA A 9 -6.109 -11.340 14.614 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.949 -8.895 13.619 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.861 -10.005 14.249 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.071 -10.122 15.549 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.740 -11.530 14.512 1.00 0.00 H new ATOM 120 N ILE A 10 -5.093 -11.525 11.724 1.00 0.00 N ATOM 121 CA ILE A 10 -4.876 -12.014 10.373 1.00 0.00 C ATOM 122 C ILE A 10 -5.831 -11.298 9.416 1.00 0.00 C ATOM 123 O ILE A 10 -5.416 -10.818 8.362 1.00 0.00 O ATOM 124 CB ILE A 10 -4.991 -13.539 10.330 1.00 0.00 C ATOM 125 CG1 ILE A 10 -3.630 -14.199 10.563 1.00 0.00 C ATOM 126 CG2 ILE A 10 -5.638 -14.003 9.024 1.00 0.00 C ATOM 127 CD1 ILE A 10 -3.680 -15.153 11.757 1.00 0.00 C ATOM 0 H ILE A 10 -5.649 -12.141 12.317 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.863 -11.784 10.043 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.645 -13.855 11.143 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.329 -14.745 9.669 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.875 -13.432 10.737 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.708 -15.091 9.019 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.637 -13.575 8.941 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.031 -13.675 8.180 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.700 -15.608 11.900 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.957 -14.599 12.654 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.418 -15.933 11.569 1.00 0.00 H new ATOM 139 N ALA A 11 -7.093 -11.248 9.817 1.00 0.00 N ATOM 140 CA ALA A 11 -8.110 -10.599 9.008 1.00 0.00 C ATOM 141 C ALA A 11 -7.755 -9.120 8.840 1.00 0.00 C ATOM 142 O ALA A 11 -8.196 -8.476 7.889 1.00 0.00 O ATOM 143 CB ALA A 11 -9.482 -10.799 9.655 1.00 0.00 C ATOM 0 H ALA A 11 -7.434 -11.647 10.692 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.150 -11.044 8.014 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.245 -10.312 9.048 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.699 -11.865 9.725 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.480 -10.363 10.654 1.00 0.00 H new ATOM 149 N VAL A 12 -6.962 -8.625 9.779 1.00 0.00 N ATOM 150 CA VAL A 12 -6.543 -7.234 9.746 1.00 0.00 C ATOM 151 C VAL A 12 -5.420 -7.068 8.720 1.00 0.00 C ATOM 152 O VAL A 12 -5.397 -6.091 7.973 1.00 0.00 O ATOM 153 CB VAL A 12 -6.142 -6.776 11.150 1.00 0.00 C ATOM 154 CG1 VAL A 12 -5.004 -5.754 11.090 1.00 0.00 C ATOM 155 CG2 VAL A 12 -7.346 -6.211 11.907 1.00 0.00 C ATOM 0 H VAL A 12 -6.599 -9.162 10.567 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.367 -6.594 9.432 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.781 -7.648 11.696 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.739 -5.445 12.101 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.136 -6.204 10.608 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.326 -4.884 10.518 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.034 -5.893 12.902 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.750 -5.357 11.363 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.113 -6.980 11.996 1.00 0.00 H new ATOM 165 N GLY A 13 -4.517 -8.037 8.717 1.00 0.00 N ATOM 166 CA GLY A 13 -3.394 -8.010 7.794 1.00 0.00 C ATOM 167 C GLY A 13 -3.858 -8.264 6.359 1.00 0.00 C ATOM 168 O GLY A 13 -3.283 -7.727 5.413 1.00 0.00 O ATOM 0 H GLY A 13 -4.539 -8.846 9.338 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.894 -7.043 7.853 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.663 -8.765 8.083 1.00 0.00 H new ATOM 172 N LEU A 14 -4.893 -9.082 6.241 1.00 0.00 N ATOM 173 CA LEU A 14 -5.441 -9.414 4.937 1.00 0.00 C ATOM 174 C LEU A 14 -6.312 -8.256 4.445 1.00 0.00 C ATOM 175 O LEU A 14 -6.328 -7.949 3.254 1.00 0.00 O ATOM 176 CB LEU A 14 -6.174 -10.756 4.989 1.00 0.00 C ATOM 177 CG LEU A 14 -7.502 -10.825 4.232 1.00 0.00 C ATOM 178 CD1 LEU A 14 -7.276 -10.740 2.721 1.00 0.00 C ATOM 179 CD2 LEU A 14 -8.292 -12.075 4.624 1.00 0.00 C ATOM 0 H LEU A 14 -5.367 -9.525 7.028 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.640 -9.543 4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.512 -11.525 4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.361 -11.005 6.034 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.103 -9.962 4.517 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.235 -10.791 2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.784 -9.798 2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.647 -11.570 2.400 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.231 -12.100 4.072 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.708 -12.964 4.386 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.500 -12.053 5.694 1.00 0.00 H new ATOM 191 N GLY A 15 -7.016 -7.646 5.387 1.00 0.00 N ATOM 192 CA GLY A 15 -7.888 -6.529 5.065 1.00 0.00 C ATOM 193 C GLY A 15 -7.074 -5.283 4.711 1.00 0.00 C ATOM 194 O GLY A 15 -7.365 -4.606 3.726 1.00 0.00 O ATOM 0 H GLY A 15 -7.000 -7.904 6.374 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.533 -6.796 4.228 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.538 -6.314 5.913 1.00 0.00 H new ATOM 198 N ALA A 16 -6.069 -5.017 5.533 1.00 0.00 N ATOM 199 CA ALA A 16 -5.211 -3.865 5.320 1.00 0.00 C ATOM 200 C ALA A 16 -4.262 -4.150 4.154 1.00 0.00 C ATOM 201 O ALA A 16 -3.676 -3.229 3.586 1.00 0.00 O ATOM 202 CB ALA A 16 -4.463 -3.538 6.614 1.00 0.00 C ATOM 0 H ALA A 16 -5.830 -5.581 6.349 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.804 -2.989 5.056 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.819 -2.673 6.453 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.181 -3.314 7.403 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.855 -4.393 6.909 1.00 0.00 H new ATOM 208 N LEU A 17 -4.140 -5.429 3.832 1.00 0.00 N ATOM 209 CA LEU A 17 -3.272 -5.847 2.744 1.00 0.00 C ATOM 210 C LEU A 17 -3.846 -5.345 1.417 1.00 0.00 C ATOM 211 O LEU A 17 -3.185 -4.605 0.691 1.00 0.00 O ATOM 212 CB LEU A 17 -3.053 -7.361 2.785 1.00 0.00 C ATOM 213 CG LEU A 17 -2.711 -8.026 1.450 1.00 0.00 C ATOM 214 CD1 LEU A 17 -1.386 -8.785 1.539 1.00 0.00 C ATOM 215 CD2 LEU A 17 -3.856 -8.924 0.976 1.00 0.00 C ATOM 0 H LEU A 17 -4.628 -6.190 4.305 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.283 -5.401 2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.249 -7.573 3.490 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.955 -7.828 3.180 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.584 -7.244 0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.167 -9.248 0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.586 -8.092 1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.460 -9.557 2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.588 -9.385 0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.039 -9.702 1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.758 -8.326 0.847 1.00 0.00 H new ATOM 227 N GLY A 18 -5.071 -5.768 1.141 1.00 0.00 N ATOM 228 CA GLY A 18 -5.741 -5.371 -0.085 1.00 0.00 C ATOM 229 C GLY A 18 -6.298 -3.951 0.030 1.00 0.00 C ATOM 230 O GLY A 18 -6.120 -3.135 -0.873 1.00 0.00 O ATOM 0 H GLY A 18 -5.617 -6.382 1.746 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.042 -5.425 -0.920 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.551 -6.067 -0.303 1.00 0.00 H new ATOM 234 N ALA A 19 -6.963 -3.699 1.149 1.00 0.00 N ATOM 235 CA ALA A 19 -7.547 -2.391 1.394 1.00 0.00 C ATOM 236 C ALA A 19 -6.441 -1.334 1.392 1.00 0.00 C ATOM 237 O ALA A 19 -6.591 -0.274 0.788 1.00 0.00 O ATOM 238 CB ALA A 19 -8.325 -2.419 2.711 1.00 0.00 C ATOM 0 H ALA A 19 -7.110 -4.378 1.895 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.252 -2.131 0.604 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.763 -1.438 2.896 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.117 -3.165 2.650 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.649 -2.674 3.527 1.00 0.00 H new ATOM 244 N GLY A 20 -5.353 -1.661 2.075 1.00 0.00 N ATOM 245 CA GLY A 20 -4.222 -0.753 2.160 1.00 0.00 C ATOM 246 C GLY A 20 -3.732 -0.356 0.766 1.00 0.00 C ATOM 247 O GLY A 20 -3.650 0.829 0.447 1.00 0.00 O ATOM 0 H GLY A 20 -5.231 -2.542 2.574 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.508 0.139 2.717 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.411 -1.227 2.713 1.00 0.00 H new ATOM 251 N ILE A 21 -3.418 -1.371 -0.026 1.00 0.00 N ATOM 252 CA ILE A 21 -2.938 -1.143 -1.379 1.00 0.00 C ATOM 253 C ILE A 21 -3.919 -0.229 -2.117 1.00 0.00 C ATOM 254 O ILE A 21 -3.533 0.486 -3.040 1.00 0.00 O ATOM 255 CB ILE A 21 -2.684 -2.474 -2.089 1.00 0.00 C ATOM 256 CG1 ILE A 21 -1.654 -2.311 -3.208 1.00 0.00 C ATOM 257 CG2 ILE A 21 -3.993 -3.082 -2.598 1.00 0.00 C ATOM 258 CD1 ILE A 21 -2.332 -1.928 -4.526 1.00 0.00 C ATOM 0 H ILE A 21 -3.486 -2.353 0.243 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.977 -0.630 -1.360 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.264 -3.173 -1.365 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.930 -1.545 -2.932 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.101 -3.241 -3.336 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.785 -4.027 -3.099 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.664 -3.257 -1.757 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.464 -2.395 -3.301 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.577 -1.818 -5.305 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.038 -2.708 -4.812 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.864 -0.985 -4.401 1.00 0.00 H new ATOM 270 N GLY A 22 -5.169 -0.283 -1.682 1.00 0.00 N ATOM 271 CA GLY A 22 -6.209 0.530 -2.290 1.00 0.00 C ATOM 272 C GLY A 22 -6.029 2.007 -1.932 1.00 0.00 C ATOM 273 O GLY A 22 -6.263 2.883 -2.763 1.00 0.00 O ATOM 0 H GLY A 22 -5.485 -0.877 -0.916 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.184 0.409 -3.373 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.187 0.187 -1.953 1.00 0.00 H new ATOM 277 N ASN A 23 -5.613 2.237 -0.695 1.00 0.00 N ATOM 278 CA ASN A 23 -5.398 3.592 -0.218 1.00 0.00 C ATOM 279 C ASN A 23 -4.224 4.215 -0.976 1.00 0.00 C ATOM 280 O ASN A 23 -4.155 5.434 -1.129 1.00 0.00 O ATOM 281 CB ASN A 23 -5.058 3.604 1.273 1.00 0.00 C ATOM 282 CG ASN A 23 -5.112 5.025 1.837 1.00 0.00 C ATOM 283 OD1 ASN A 23 -4.129 5.571 2.310 1.00 0.00 O ATOM 284 ND2 ASN A 23 -6.313 5.592 1.762 1.00 0.00 N ATOM 0 H ASN A 23 -5.419 1.507 -0.009 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.316 4.157 -0.383 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.758 2.967 1.814 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.063 3.186 1.426 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.452 6.540 2.113 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -7.095 5.079 1.354 1.00 0.00 H new ATOM 291 N GLY A 24 -3.328 3.350 -1.429 1.00 0.00 N ATOM 292 CA GLY A 24 -2.160 3.800 -2.167 1.00 0.00 C ATOM 293 C GLY A 24 -2.528 4.168 -3.605 1.00 0.00 C ATOM 294 O GLY A 24 -1.924 5.063 -4.195 1.00 0.00 O ATOM 0 H GLY A 24 -3.388 2.340 -1.299 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.721 4.664 -1.668 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.403 3.015 -2.171 1.00 0.00 H new ATOM 298 N LEU A 25 -3.517 3.458 -4.129 1.00 0.00 N ATOM 299 CA LEU A 25 -3.972 3.698 -5.488 1.00 0.00 C ATOM 300 C LEU A 25 -4.651 5.067 -5.559 1.00 0.00 C ATOM 301 O LEU A 25 -4.548 5.764 -6.568 1.00 0.00 O ATOM 302 CB LEU A 25 -4.858 2.547 -5.967 1.00 0.00 C ATOM 303 CG LEU A 25 -4.215 1.159 -5.963 1.00 0.00 C ATOM 304 CD1 LEU A 25 -5.262 0.070 -5.717 1.00 0.00 C ATOM 305 CD2 LEU A 25 -3.428 0.915 -7.252 1.00 0.00 C ATOM 0 H LEU A 25 -4.016 2.717 -3.637 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.126 3.725 -6.174 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.749 2.515 -5.339 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.191 2.769 -6.981 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.504 1.115 -5.138 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.778 -0.907 -5.719 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.740 0.236 -4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.014 0.104 -6.505 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.981 -0.079 -7.223 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.100 0.986 -8.107 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.641 1.664 -7.345 1.00 0.00 H new ATOM 317 N ILE A 26 -5.330 5.413 -4.475 1.00 0.00 N ATOM 318 CA ILE A 26 -6.026 6.686 -4.402 1.00 0.00 C ATOM 319 C ILE A 26 -5.003 7.813 -4.250 1.00 0.00 C ATOM 320 O ILE A 26 -5.197 8.908 -4.776 1.00 0.00 O ATOM 321 CB ILE A 26 -7.079 6.658 -3.292 1.00 0.00 C ATOM 322 CG1 ILE A 26 -8.146 5.599 -3.575 1.00 0.00 C ATOM 323 CG2 ILE A 26 -7.690 8.045 -3.081 1.00 0.00 C ATOM 324 CD1 ILE A 26 -8.701 5.745 -4.994 1.00 0.00 C ATOM 0 H ILE A 26 -5.413 4.833 -3.640 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.574 6.874 -5.325 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.586 6.378 -2.361 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.719 4.604 -3.448 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.957 5.692 -2.852 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.435 7.997 -2.287 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.906 8.749 -2.801 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.164 8.378 -4.004 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.458 4.980 -5.169 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.149 6.732 -5.110 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.892 5.627 -5.715 1.00 0.00 H new ATOM 336 N VAL A 27 -3.935 7.507 -3.528 1.00 0.00 N ATOM 337 CA VAL A 27 -2.880 8.480 -3.301 1.00 0.00 C ATOM 338 C VAL A 27 -2.101 8.695 -4.600 1.00 0.00 C ATOM 339 O VAL A 27 -1.790 9.829 -4.961 1.00 0.00 O ATOM 340 CB VAL A 27 -1.993 8.029 -2.139 1.00 0.00 C ATOM 341 CG1 VAL A 27 -0.924 9.078 -1.826 1.00 0.00 C ATOM 342 CG2 VAL A 27 -2.831 7.713 -0.899 1.00 0.00 C ATOM 0 H VAL A 27 -3.778 6.598 -3.092 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.304 9.442 -3.014 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.485 7.113 -2.442 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.307 8.733 -0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.297 9.232 -2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.405 10.018 -1.554 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.176 7.395 -0.088 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.380 8.604 -0.594 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.536 6.914 -1.130 1.00 0.00 H new ATOM 352 N SER A 28 -1.809 7.588 -5.267 1.00 0.00 N ATOM 353 CA SER A 28 -1.073 7.641 -6.518 1.00 0.00 C ATOM 354 C SER A 28 -1.913 8.337 -7.591 1.00 0.00 C ATOM 355 O SER A 28 -1.370 8.944 -8.513 1.00 0.00 O ATOM 356 CB SER A 28 -0.674 6.239 -6.983 1.00 0.00 C ATOM 357 OG SER A 28 -1.771 5.536 -7.559 1.00 0.00 O ATOM 0 H SER A 28 -2.069 6.649 -4.964 1.00 0.00 H new ATOM 0 HA SER A 28 -0.160 8.213 -6.353 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.132 6.315 -7.713 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.285 5.673 -6.136 1.00 0.00 H new ATOM 0 HG SER A 28 -2.593 5.759 -7.074 1.00 0.00 H new ATOM 363 N ARG A 29 -3.224 8.225 -7.436 1.00 0.00 N ATOM 364 CA ARG A 29 -4.144 8.835 -8.380 1.00 0.00 C ATOM 365 C ARG A 29 -4.103 10.359 -8.251 1.00 0.00 C ATOM 366 O ARG A 29 -4.115 11.071 -9.254 1.00 0.00 O ATOM 367 CB ARG A 29 -5.576 8.349 -8.146 1.00 0.00 C ATOM 368 CG ARG A 29 -6.186 7.800 -9.437 1.00 0.00 C ATOM 369 CD ARG A 29 -6.584 8.935 -10.382 1.00 0.00 C ATOM 370 NE ARG A 29 -7.928 9.443 -10.024 1.00 0.00 N ATOM 371 CZ ARG A 29 -8.377 10.666 -10.339 1.00 0.00 C ATOM 372 NH1 ARG A 29 -7.592 11.513 -11.019 1.00 0.00 N ATOM 373 NH2 ARG A 29 -9.610 11.042 -9.974 1.00 0.00 N ATOM 0 H ARG A 29 -3.671 7.721 -6.670 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.832 8.543 -9.383 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.580 7.574 -7.379 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.186 9.171 -7.772 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.469 7.145 -9.932 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.061 7.195 -9.201 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.853 9.742 -10.323 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.583 8.579 -11.412 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.551 8.824 -9.505 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.653 11.227 -11.297 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.933 12.444 -11.259 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.207 10.397 -9.456 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.951 11.973 -10.214 1.00 0.00 H new ATOM 387 N THR A 30 -4.056 10.815 -7.008 1.00 0.00 N ATOM 388 CA THR A 30 -4.013 12.242 -6.735 1.00 0.00 C ATOM 389 C THR A 30 -2.616 12.797 -7.016 1.00 0.00 C ATOM 390 O THR A 30 -2.471 13.949 -7.423 1.00 0.00 O ATOM 391 CB THR A 30 -4.476 12.461 -5.293 1.00 0.00 C ATOM 392 OG1 THR A 30 -4.679 13.869 -5.204 1.00 0.00 O ATOM 393 CG2 THR A 30 -3.369 12.180 -4.274 1.00 0.00 C ATOM 0 H THR A 30 -4.047 10.222 -6.178 1.00 0.00 H new ATOM 0 HA THR A 30 -4.685 12.792 -7.394 1.00 0.00 H new ATOM 0 HB THR A 30 -5.333 11.820 -5.085 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.982 14.099 -4.301 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.750 12.350 -3.267 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.042 11.144 -4.368 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.526 12.845 -4.460 1.00 0.00 H new ATOM 401 N ILE A 31 -1.621 11.951 -6.788 1.00 0.00 N ATOM 402 CA ILE A 31 -0.240 12.343 -7.012 1.00 0.00 C ATOM 403 C ILE A 31 0.022 12.435 -8.517 1.00 0.00 C ATOM 404 O ILE A 31 0.734 13.328 -8.973 1.00 0.00 O ATOM 405 CB ILE A 31 0.711 11.395 -6.279 1.00 0.00 C ATOM 406 CG1 ILE A 31 1.828 12.171 -5.579 1.00 0.00 C ATOM 407 CG2 ILE A 31 1.262 10.329 -7.229 1.00 0.00 C ATOM 408 CD1 ILE A 31 1.351 12.725 -4.235 1.00 0.00 C ATOM 0 H ILE A 31 -1.744 10.996 -6.451 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.052 13.332 -6.594 1.00 0.00 H new ATOM 0 HB ILE A 31 0.146 10.876 -5.505 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.687 11.518 -5.423 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.162 12.990 -6.216 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.935 9.668 -6.683 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.437 9.747 -7.641 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.806 10.811 -8.041 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.164 13.272 -3.758 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.508 13.396 -4.397 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.041 11.902 -3.591 1.00 0.00 H new ATOM 420 N GLU A 32 -0.567 11.499 -9.246 1.00 0.00 N ATOM 421 CA GLU A 32 -0.407 11.463 -10.690 1.00 0.00 C ATOM 422 C GLU A 32 -1.151 12.633 -11.336 1.00 0.00 C ATOM 423 O GLU A 32 -0.785 13.083 -12.421 1.00 0.00 O ATOM 424 CB GLU A 32 -0.884 10.127 -11.262 1.00 0.00 C ATOM 425 CG GLU A 32 -2.379 10.171 -11.583 1.00 0.00 C ATOM 426 CD GLU A 32 -2.613 10.414 -13.075 1.00 0.00 C ATOM 427 OE1 GLU A 32 -1.865 9.807 -13.873 1.00 0.00 O ATOM 428 OE2 GLU A 32 -3.534 11.200 -13.385 1.00 0.00 O ATOM 0 H GLU A 32 -1.156 10.759 -8.864 1.00 0.00 H new ATOM 0 HA GLU A 32 0.654 11.561 -10.920 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.321 9.892 -12.165 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.685 9.329 -10.546 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.846 9.232 -11.286 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.856 10.961 -11.003 1.00 0.00 H new ATOM 435 N GLY A 33 -2.182 13.093 -10.642 1.00 0.00 N ATOM 436 CA GLY A 33 -2.980 14.202 -11.134 1.00 0.00 C ATOM 437 C GLY A 33 -2.167 15.498 -11.154 1.00 0.00 C ATOM 438 O GLY A 33 -2.036 16.137 -12.197 1.00 0.00 O ATOM 0 H GLY A 33 -2.483 12.717 -9.743 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.339 13.978 -12.139 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.859 14.330 -10.503 1.00 0.00 H new ATOM 442 N ILE A 34 -1.640 15.847 -9.989 1.00 0.00 N ATOM 443 CA ILE A 34 -0.843 17.054 -9.860 1.00 0.00 C ATOM 444 C ILE A 34 0.310 17.009 -10.866 1.00 0.00 C ATOM 445 O ILE A 34 0.767 18.049 -11.337 1.00 0.00 O ATOM 446 CB ILE A 34 -0.388 17.243 -8.411 1.00 0.00 C ATOM 447 CG1 ILE A 34 0.719 16.250 -8.050 1.00 0.00 C ATOM 448 CG2 ILE A 34 -1.573 17.155 -7.448 1.00 0.00 C ATOM 449 CD1 ILE A 34 2.068 16.959 -7.912 1.00 0.00 C ATOM 0 H ILE A 34 -1.750 15.314 -9.126 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.441 17.933 -10.099 1.00 0.00 H new ATOM 0 HB ILE A 34 0.032 18.244 -8.313 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.471 15.747 -7.115 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.786 15.479 -8.818 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.222 17.293 -6.425 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.298 17.932 -7.691 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.045 16.177 -7.541 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.837 16.231 -7.655 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.324 17.440 -8.856 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.005 17.712 -7.127 1.00 0.00 H new ATOM 461 N ALA A 35 0.745 15.794 -11.164 1.00 0.00 N ATOM 462 CA ALA A 35 1.835 15.600 -12.105 1.00 0.00 C ATOM 463 C ALA A 35 1.329 15.857 -13.526 1.00 0.00 C ATOM 464 O ALA A 35 2.122 16.058 -14.444 1.00 0.00 O ATOM 465 CB ALA A 35 2.410 14.192 -11.937 1.00 0.00 C ATOM 0 H ALA A 35 0.363 14.934 -10.771 1.00 0.00 H new ATOM 0 HA ALA A 35 2.641 16.307 -11.909 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.228 14.046 -12.643 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.783 14.070 -10.920 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.630 13.455 -12.128 1.00 0.00 H new ATOM 471 N ARG A 36 0.011 15.843 -13.662 1.00 0.00 N ATOM 472 CA ARG A 36 -0.611 16.073 -14.955 1.00 0.00 C ATOM 473 C ARG A 36 -0.040 17.337 -15.601 1.00 0.00 C ATOM 474 O ARG A 36 0.473 17.290 -16.718 1.00 0.00 O ATOM 475 CB ARG A 36 -2.128 16.218 -14.819 1.00 0.00 C ATOM 476 CG ARG A 36 -2.762 14.913 -14.333 1.00 0.00 C ATOM 477 CD ARG A 36 -3.056 13.976 -15.507 1.00 0.00 C ATOM 478 NE ARG A 36 -3.841 14.690 -16.539 1.00 0.00 N ATOM 479 CZ ARG A 36 -3.976 14.269 -17.804 1.00 0.00 C ATOM 480 NH1 ARG A 36 -3.379 13.138 -18.202 1.00 0.00 N ATOM 481 NH2 ARG A 36 -4.708 14.981 -18.672 1.00 0.00 N ATOM 0 H ARG A 36 -0.644 15.676 -12.898 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.396 15.210 -15.585 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.359 17.021 -14.119 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.558 16.499 -15.780 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.093 14.420 -13.628 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.686 15.131 -13.797 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.122 13.612 -15.935 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.608 13.103 -15.157 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.308 15.556 -16.271 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.821 12.596 -17.542 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.482 12.818 -19.165 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.162 15.843 -18.370 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.811 14.661 -19.635 1.00 0.00 H new ATOM 495 N GLN A 37 -0.149 18.437 -14.871 1.00 0.00 N ATOM 496 CA GLN A 37 0.349 19.711 -15.359 1.00 0.00 C ATOM 497 C GLN A 37 1.716 19.528 -16.022 1.00 0.00 C ATOM 498 O GLN A 37 2.352 18.487 -15.864 1.00 0.00 O ATOM 499 CB GLN A 37 0.422 20.741 -14.230 1.00 0.00 C ATOM 500 CG GLN A 37 -0.846 21.597 -14.186 1.00 0.00 C ATOM 501 CD GLN A 37 -0.506 23.069 -13.943 1.00 0.00 C ATOM 502 OE1 GLN A 37 -0.012 23.770 -14.811 1.00 0.00 O ATOM 503 NE2 GLN A 37 -0.796 23.496 -12.718 1.00 0.00 N ATOM 0 H GLN A 37 -0.575 18.472 -13.945 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.349 20.089 -16.106 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.554 20.231 -13.276 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.293 21.381 -14.373 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.390 21.496 -15.125 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.505 21.237 -13.396 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.209 22.856 -12.039 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.606 24.463 -12.457 1.00 0.00 H new ATOM 512 N PRO A 38 2.138 20.582 -16.770 1.00 0.00 N ATOM 513 CA PRO A 38 3.418 20.547 -17.458 1.00 0.00 C ATOM 514 C PRO A 38 4.574 20.738 -16.474 1.00 0.00 C ATOM 515 O PRO A 38 5.479 19.907 -16.406 1.00 0.00 O ATOM 516 CB PRO A 38 3.336 21.652 -18.498 1.00 0.00 C ATOM 517 CG PRO A 38 2.205 22.564 -18.050 1.00 0.00 C ATOM 518 CD PRO A 38 1.412 21.831 -16.980 1.00 0.00 C ATOM 0 HA PRO A 38 3.614 19.585 -17.932 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.277 22.199 -18.562 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.138 21.242 -19.488 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.602 23.500 -17.657 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.563 22.819 -18.893 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.354 22.414 -16.061 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.388 21.644 -17.304 1.00 0.00 H new ATOM 526 N GLU A 39 4.507 21.836 -15.736 1.00 0.00 N ATOM 527 CA GLU A 39 5.537 22.146 -14.759 1.00 0.00 C ATOM 528 C GLU A 39 5.787 20.940 -13.851 1.00 0.00 C ATOM 529 O GLU A 39 6.888 20.769 -13.330 1.00 0.00 O ATOM 530 CB GLU A 39 5.161 23.382 -13.939 1.00 0.00 C ATOM 531 CG GLU A 39 6.407 24.174 -13.538 1.00 0.00 C ATOM 532 CD GLU A 39 6.603 24.157 -12.021 1.00 0.00 C ATOM 533 OE1 GLU A 39 7.046 23.103 -11.517 1.00 0.00 O ATOM 534 OE2 GLU A 39 6.305 25.200 -11.399 1.00 0.00 O ATOM 0 H GLU A 39 3.755 22.523 -15.795 1.00 0.00 H new ATOM 0 HA GLU A 39 6.460 22.372 -15.292 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.493 24.018 -14.519 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.616 23.078 -13.045 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.284 23.750 -14.026 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.315 25.203 -13.885 1.00 0.00 H new ATOM 541 N LEU A 40 4.747 20.136 -13.690 1.00 0.00 N ATOM 542 CA LEU A 40 4.840 18.951 -12.854 1.00 0.00 C ATOM 543 C LEU A 40 5.078 17.725 -13.738 1.00 0.00 C ATOM 544 O LEU A 40 4.628 16.627 -13.416 1.00 0.00 O ATOM 545 CB LEU A 40 3.607 18.832 -11.955 1.00 0.00 C ATOM 546 CG LEU A 40 3.315 20.033 -11.054 1.00 0.00 C ATOM 547 CD1 LEU A 40 2.260 20.946 -11.682 1.00 0.00 C ATOM 548 CD2 LEU A 40 2.918 19.580 -9.648 1.00 0.00 C ATOM 0 H LEU A 40 3.836 20.281 -14.124 1.00 0.00 H new ATOM 0 HA LEU A 40 5.692 19.027 -12.179 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.737 18.657 -12.587 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.725 17.951 -11.325 1.00 0.00 H new ATOM 0 HG LEU A 40 4.230 20.618 -10.957 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.071 21.792 -11.021 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.620 21.311 -12.644 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.336 20.387 -11.829 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.716 20.453 -9.028 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.023 18.960 -9.705 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.732 19.003 -9.208 1.00 0.00 H new ATOM 560 N ARG A 41 5.784 17.955 -14.835 1.00 0.00 N ATOM 561 CA ARG A 41 6.087 16.883 -15.768 1.00 0.00 C ATOM 562 C ARG A 41 6.996 15.845 -15.107 1.00 0.00 C ATOM 563 O ARG A 41 6.827 14.644 -15.314 1.00 0.00 O ATOM 564 CB ARG A 41 6.771 17.423 -17.025 1.00 0.00 C ATOM 565 CG ARG A 41 7.471 16.301 -17.794 1.00 0.00 C ATOM 566 CD ARG A 41 6.479 15.204 -18.186 1.00 0.00 C ATOM 567 NE ARG A 41 6.034 15.400 -19.584 1.00 0.00 N ATOM 568 CZ ARG A 41 5.372 14.479 -20.298 1.00 0.00 C ATOM 569 NH1 ARG A 41 5.075 13.293 -19.750 1.00 0.00 N ATOM 570 NH2 ARG A 41 5.008 14.744 -21.560 1.00 0.00 N ATOM 0 H ARG A 41 6.155 18.868 -15.099 1.00 0.00 H new ATOM 0 HA ARG A 41 5.144 16.416 -16.054 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.033 17.903 -17.667 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.497 18.187 -16.748 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.942 16.707 -18.689 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.266 15.876 -17.181 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.946 14.225 -18.078 1.00 0.00 H new ATOM 0 HD3 ARG A 41 5.619 15.223 -17.516 1.00 0.00 H new ATOM 0 HE ARG A 41 6.244 16.292 -20.032 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.353 13.091 -18.790 1.00 0.00 H new ATOM 0 HH12 ARG A 41 4.571 12.592 -20.293 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.235 15.647 -21.977 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.504 14.043 -22.103 1.00 0.00 H new ATOM 584 N PRO A 42 7.966 16.359 -14.304 1.00 0.00 N ATOM 585 CA PRO A 42 8.903 15.490 -13.612 1.00 0.00 C ATOM 586 C PRO A 42 8.234 14.802 -12.420 1.00 0.00 C ATOM 587 O PRO A 42 8.738 13.801 -11.914 1.00 0.00 O ATOM 588 CB PRO A 42 10.053 16.396 -13.205 1.00 0.00 C ATOM 589 CG PRO A 42 9.510 17.815 -13.272 1.00 0.00 C ATOM 590 CD PRO A 42 8.197 17.775 -14.036 1.00 0.00 C ATOM 0 HA PRO A 42 9.260 14.673 -14.238 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.401 16.158 -12.200 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.904 16.271 -13.875 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.356 18.213 -12.269 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.222 18.473 -13.770 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.385 18.204 -13.450 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.260 18.348 -14.961 1.00 0.00 H new ATOM 598 N VAL A 43 7.108 15.366 -12.008 1.00 0.00 N ATOM 599 CA VAL A 43 6.365 14.819 -10.885 1.00 0.00 C ATOM 600 C VAL A 43 5.899 13.403 -11.229 1.00 0.00 C ATOM 601 O VAL A 43 5.733 12.567 -10.342 1.00 0.00 O ATOM 602 CB VAL A 43 5.212 15.754 -10.516 1.00 0.00 C ATOM 603 CG1 VAL A 43 4.340 15.142 -9.418 1.00 0.00 C ATOM 604 CG2 VAL A 43 5.734 17.130 -10.098 1.00 0.00 C ATOM 0 H VAL A 43 6.692 16.196 -12.431 1.00 0.00 H new ATOM 0 HA VAL A 43 7.003 14.747 -10.004 1.00 0.00 H new ATOM 0 HB VAL A 43 4.591 15.886 -11.402 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.528 15.827 -9.174 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.925 14.197 -9.768 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.945 14.966 -8.529 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.894 17.775 -9.841 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.388 17.024 -9.232 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.293 17.573 -10.922 1.00 0.00 H new ATOM 614 N LEU A 44 5.701 13.176 -12.520 1.00 0.00 N ATOM 615 CA LEU A 44 5.258 11.875 -12.992 1.00 0.00 C ATOM 616 C LEU A 44 6.196 10.794 -12.452 1.00 0.00 C ATOM 617 O LEU A 44 5.743 9.754 -11.978 1.00 0.00 O ATOM 618 CB LEU A 44 5.130 11.874 -14.516 1.00 0.00 C ATOM 619 CG LEU A 44 3.749 11.525 -15.074 1.00 0.00 C ATOM 620 CD1 LEU A 44 3.529 12.175 -16.441 1.00 0.00 C ATOM 621 CD2 LEU A 44 3.543 10.009 -15.119 1.00 0.00 C ATOM 0 H LEU A 44 5.839 13.871 -13.253 1.00 0.00 H new ATOM 0 HA LEU A 44 4.262 11.651 -12.611 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.410 12.861 -14.885 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.853 11.166 -14.921 1.00 0.00 H new ATOM 0 HG LEU A 44 2.995 11.932 -14.400 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.540 11.911 -16.815 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.603 13.258 -16.345 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.287 11.820 -17.139 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.554 9.788 -15.519 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.302 9.557 -15.758 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.626 9.600 -14.112 1.00 0.00 H new ATOM 633 N GLN A 45 7.487 11.079 -12.541 1.00 0.00 N ATOM 634 CA GLN A 45 8.494 10.144 -12.067 1.00 0.00 C ATOM 635 C GLN A 45 8.274 9.833 -10.585 1.00 0.00 C ATOM 636 O GLN A 45 8.495 8.706 -10.144 1.00 0.00 O ATOM 637 CB GLN A 45 9.904 10.686 -12.310 1.00 0.00 C ATOM 638 CG GLN A 45 10.964 9.692 -11.831 1.00 0.00 C ATOM 639 CD GLN A 45 12.265 9.855 -12.619 1.00 0.00 C ATOM 640 OE1 GLN A 45 12.325 9.644 -13.819 1.00 0.00 O ATOM 641 NE2 GLN A 45 13.300 10.243 -11.879 1.00 0.00 N ATOM 0 H GLN A 45 7.859 11.944 -12.934 1.00 0.00 H new ATOM 0 HA GLN A 45 8.395 9.217 -12.632 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.042 10.887 -13.372 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.028 11.635 -11.788 1.00 0.00 H new ATOM 0 HG2 GLN A 45 11.157 9.844 -10.769 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.591 8.674 -11.945 1.00 0.00 H new ATOM 0 HE21 GLN A 45 13.181 10.402 -10.879 1.00 0.00 H new ATOM 0 HE22 GLN A 45 14.213 10.381 -12.312 1.00 0.00 H new ATOM 650 N THR A 46 7.842 10.852 -9.857 1.00 0.00 N ATOM 651 CA THR A 46 7.589 10.702 -8.434 1.00 0.00 C ATOM 652 C THR A 46 6.349 9.837 -8.201 1.00 0.00 C ATOM 653 O THR A 46 6.299 9.061 -7.248 1.00 0.00 O ATOM 654 CB THR A 46 7.479 12.100 -7.824 1.00 0.00 C ATOM 655 OG1 THR A 46 8.285 12.031 -6.651 1.00 0.00 O ATOM 656 CG2 THR A 46 6.075 12.399 -7.294 1.00 0.00 C ATOM 0 H THR A 46 7.661 11.785 -10.226 1.00 0.00 H new ATOM 0 HA THR A 46 8.408 10.180 -7.939 1.00 0.00 H new ATOM 0 HB THR A 46 7.751 12.845 -8.572 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.272 12.898 -6.194 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.052 13.404 -6.872 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.356 12.332 -8.110 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.816 11.675 -6.522 1.00 0.00 H new ATOM 664 N THR A 47 5.378 10.001 -9.087 1.00 0.00 N ATOM 665 CA THR A 47 4.141 9.245 -8.990 1.00 0.00 C ATOM 666 C THR A 47 4.375 7.786 -9.385 1.00 0.00 C ATOM 667 O THR A 47 3.719 6.885 -8.864 1.00 0.00 O ATOM 668 CB THR A 47 3.089 9.947 -9.851 1.00 0.00 C ATOM 669 OG1 THR A 47 3.458 9.618 -11.187 1.00 0.00 O ATOM 670 CG2 THR A 47 3.209 11.471 -9.796 1.00 0.00 C ATOM 0 H THR A 47 5.423 10.646 -9.876 1.00 0.00 H new ATOM 0 HA THR A 47 3.775 9.216 -7.964 1.00 0.00 H new ATOM 0 HB THR A 47 2.093 9.649 -9.522 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.426 9.726 -11.295 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.439 11.919 -10.424 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.081 11.809 -8.768 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.193 11.772 -10.157 1.00 0.00 H new ATOM 678 N MET A 48 5.311 7.598 -10.303 1.00 0.00 N ATOM 679 CA MET A 48 5.640 6.263 -10.775 1.00 0.00 C ATOM 680 C MET A 48 6.252 5.421 -9.654 1.00 0.00 C ATOM 681 O MET A 48 5.898 4.255 -9.484 1.00 0.00 O ATOM 682 CB MET A 48 6.629 6.362 -11.938 1.00 0.00 C ATOM 683 CG MET A 48 6.067 5.694 -13.194 1.00 0.00 C ATOM 684 SD MET A 48 7.129 6.027 -14.590 1.00 0.00 S ATOM 685 CE MET A 48 6.346 5.004 -15.826 1.00 0.00 C ATOM 0 H MET A 48 5.853 8.348 -10.733 1.00 0.00 H new ATOM 0 HA MET A 48 4.722 5.779 -11.108 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.848 7.409 -12.146 1.00 0.00 H new ATOM 0 HB3 MET A 48 7.571 5.889 -11.660 1.00 0.00 H new ATOM 0 HG2 MET A 48 5.984 4.618 -13.038 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.062 6.065 -13.395 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.886 5.094 -16.768 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.358 3.964 -15.499 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.315 5.328 -15.967 1.00 0.00 H new ATOM 695 N PHE A 49 7.160 6.044 -8.917 1.00 0.00 N ATOM 696 CA PHE A 49 7.824 5.366 -7.817 1.00 0.00 C ATOM 697 C PHE A 49 6.862 5.145 -6.648 1.00 0.00 C ATOM 698 O PHE A 49 6.971 4.153 -5.929 1.00 0.00 O ATOM 699 CB PHE A 49 8.966 6.274 -7.356 1.00 0.00 C ATOM 700 CG PHE A 49 9.597 5.855 -6.027 1.00 0.00 C ATOM 701 CD1 PHE A 49 10.335 4.714 -5.954 1.00 0.00 C ATOM 702 CD2 PHE A 49 9.420 6.622 -4.918 1.00 0.00 C ATOM 703 CE1 PHE A 49 10.920 4.325 -4.720 1.00 0.00 C ATOM 704 CE2 PHE A 49 10.006 6.233 -3.685 1.00 0.00 C ATOM 705 CZ PHE A 49 10.744 5.093 -3.612 1.00 0.00 C ATOM 0 H PHE A 49 7.451 7.011 -9.060 1.00 0.00 H new ATOM 0 HA PHE A 49 8.185 4.391 -8.145 1.00 0.00 H new ATOM 0 HB2 PHE A 49 9.739 6.288 -8.125 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.591 7.293 -7.263 1.00 0.00 H new ATOM 0 HD1 PHE A 49 10.476 4.104 -6.834 1.00 0.00 H new ATOM 0 HD2 PHE A 49 8.834 7.527 -4.975 1.00 0.00 H new ATOM 0 HE1 PHE A 49 11.505 3.419 -4.662 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.866 6.843 -2.805 1.00 0.00 H new ATOM 0 HZ PHE A 49 11.190 4.798 -2.674 1.00 0.00 H new ATOM 715 N ILE A 50 5.941 6.085 -6.495 1.00 0.00 N ATOM 716 CA ILE A 50 4.960 6.005 -5.426 1.00 0.00 C ATOM 717 C ILE A 50 3.961 4.890 -5.739 1.00 0.00 C ATOM 718 O ILE A 50 3.443 4.243 -4.830 1.00 0.00 O ATOM 719 CB ILE A 50 4.307 7.370 -5.195 1.00 0.00 C ATOM 720 CG1 ILE A 50 4.447 7.804 -3.735 1.00 0.00 C ATOM 721 CG2 ILE A 50 2.848 7.363 -5.654 1.00 0.00 C ATOM 722 CD1 ILE A 50 5.856 8.329 -3.451 1.00 0.00 C ATOM 0 H ILE A 50 5.853 6.906 -7.094 1.00 0.00 H new ATOM 0 HA ILE A 50 5.443 5.745 -4.484 1.00 0.00 H new ATOM 0 HB ILE A 50 4.832 8.108 -5.802 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.714 8.579 -3.511 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.230 6.961 -3.079 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.407 8.344 -5.479 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.802 7.129 -6.718 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.294 6.611 -5.093 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.928 8.631 -2.406 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.584 7.544 -3.653 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.060 9.187 -4.091 1.00 0.00 H new ATOM 734 N GLY A 51 3.720 4.699 -7.028 1.00 0.00 N ATOM 735 CA GLY A 51 2.792 3.673 -7.472 1.00 0.00 C ATOM 736 C GLY A 51 3.293 2.279 -7.091 1.00 0.00 C ATOM 737 O GLY A 51 2.564 1.499 -6.480 1.00 0.00 O ATOM 0 H GLY A 51 4.151 5.238 -7.779 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.813 3.846 -7.026 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.665 3.735 -8.553 1.00 0.00 H new ATOM 741 N VAL A 52 4.534 2.008 -7.467 1.00 0.00 N ATOM 742 CA VAL A 52 5.141 0.721 -7.172 1.00 0.00 C ATOM 743 C VAL A 52 5.208 0.528 -5.656 1.00 0.00 C ATOM 744 O VAL A 52 4.815 -0.518 -5.142 1.00 0.00 O ATOM 745 CB VAL A 52 6.510 0.621 -7.848 1.00 0.00 C ATOM 746 CG1 VAL A 52 7.065 -0.802 -7.755 1.00 0.00 C ATOM 747 CG2 VAL A 52 6.438 1.087 -9.304 1.00 0.00 C ATOM 0 H VAL A 52 5.136 2.658 -7.973 1.00 0.00 H new ATOM 0 HA VAL A 52 4.533 -0.089 -7.576 1.00 0.00 H new ATOM 0 HB VAL A 52 7.194 1.283 -7.318 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.039 -0.845 -8.243 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.171 -1.083 -6.707 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.381 -1.492 -8.248 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.424 1.006 -9.761 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.732 0.463 -9.851 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.107 2.125 -9.338 1.00 0.00 H new ATOM 757 N ALA A 53 5.707 1.554 -4.983 1.00 0.00 N ATOM 758 CA ALA A 53 5.830 1.511 -3.536 1.00 0.00 C ATOM 759 C ALA A 53 4.480 1.130 -2.924 1.00 0.00 C ATOM 760 O ALA A 53 4.426 0.388 -1.944 1.00 0.00 O ATOM 761 CB ALA A 53 6.341 2.860 -3.026 1.00 0.00 C ATOM 0 H ALA A 53 6.031 2.420 -5.413 1.00 0.00 H new ATOM 0 HA ALA A 53 6.554 0.753 -3.235 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.433 2.827 -1.940 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.316 3.070 -3.467 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.639 3.645 -3.307 1.00 0.00 H new ATOM 767 N LEU A 54 3.424 1.654 -3.529 1.00 0.00 N ATOM 768 CA LEU A 54 2.078 1.378 -3.056 1.00 0.00 C ATOM 769 C LEU A 54 1.771 -0.109 -3.244 1.00 0.00 C ATOM 770 O LEU A 54 1.041 -0.701 -2.450 1.00 0.00 O ATOM 771 CB LEU A 54 1.070 2.304 -3.739 1.00 0.00 C ATOM 772 CG LEU A 54 0.238 1.680 -4.861 1.00 0.00 C ATOM 773 CD1 LEU A 54 -1.060 1.082 -4.314 1.00 0.00 C ATOM 774 CD2 LEU A 54 -0.024 2.692 -5.978 1.00 0.00 C ATOM 0 H LEU A 54 3.473 2.268 -4.342 1.00 0.00 H new ATOM 0 HA LEU A 54 1.999 1.589 -1.989 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.389 2.690 -2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.610 3.159 -4.147 1.00 0.00 H new ATOM 0 HG LEU A 54 0.812 0.862 -5.296 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.632 0.645 -5.132 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.825 0.309 -3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.649 1.865 -3.837 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.617 2.222 -6.763 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.567 3.547 -5.575 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.926 3.029 -6.394 1.00 0.00 H new ATOM 786 N VAL A 55 2.345 -0.671 -4.298 1.00 0.00 N ATOM 787 CA VAL A 55 2.142 -2.078 -4.600 1.00 0.00 C ATOM 788 C VAL A 55 2.956 -2.927 -3.622 1.00 0.00 C ATOM 789 O VAL A 55 2.612 -4.079 -3.359 1.00 0.00 O ATOM 790 CB VAL A 55 2.488 -2.354 -6.064 1.00 0.00 C ATOM 791 CG1 VAL A 55 2.883 -3.818 -6.267 1.00 0.00 C ATOM 792 CG2 VAL A 55 1.328 -1.967 -6.984 1.00 0.00 C ATOM 0 H VAL A 55 2.951 -0.177 -4.954 1.00 0.00 H new ATOM 0 HA VAL A 55 1.094 -2.349 -4.472 1.00 0.00 H new ATOM 0 HB VAL A 55 3.346 -1.735 -6.328 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.124 -3.988 -7.316 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.753 -4.049 -5.653 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.053 -4.462 -5.977 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.600 -2.173 -8.019 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.444 -2.547 -6.719 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.112 -0.905 -6.870 1.00 0.00 H new ATOM 802 N GLU A 56 4.021 -2.327 -3.111 1.00 0.00 N ATOM 803 CA GLU A 56 4.887 -3.014 -2.169 1.00 0.00 C ATOM 804 C GLU A 56 4.193 -3.152 -0.812 1.00 0.00 C ATOM 805 O GLU A 56 4.751 -3.728 0.120 1.00 0.00 O ATOM 806 CB GLU A 56 6.227 -2.289 -2.027 1.00 0.00 C ATOM 807 CG GLU A 56 7.293 -2.929 -2.919 1.00 0.00 C ATOM 808 CD GLU A 56 8.693 -2.443 -2.536 1.00 0.00 C ATOM 809 OE1 GLU A 56 9.030 -1.310 -2.942 1.00 0.00 O ATOM 810 OE2 GLU A 56 9.393 -3.215 -1.846 1.00 0.00 O ATOM 0 H GLU A 56 4.304 -1.372 -3.332 1.00 0.00 H new ATOM 0 HA GLU A 56 5.090 -4.013 -2.555 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.107 -1.239 -2.294 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.552 -2.318 -0.987 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.244 -4.014 -2.829 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.093 -2.686 -3.963 1.00 0.00 H new ATOM 817 N ALA A 57 2.984 -2.613 -0.745 1.00 0.00 N ATOM 818 CA ALA A 57 2.208 -2.668 0.482 1.00 0.00 C ATOM 819 C ALA A 57 1.375 -3.952 0.496 1.00 0.00 C ATOM 820 O ALA A 57 0.822 -4.326 1.529 1.00 0.00 O ATOM 821 CB ALA A 57 1.343 -1.411 0.596 1.00 0.00 C ATOM 0 H ALA A 57 2.523 -2.136 -1.520 1.00 0.00 H new ATOM 0 HA ALA A 57 2.865 -2.691 1.351 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.761 -1.452 1.517 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.983 -0.529 0.611 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.668 -1.355 -0.258 1.00 0.00 H new ATOM 827 N LEU A 58 1.313 -4.591 -0.663 1.00 0.00 N ATOM 828 CA LEU A 58 0.557 -5.825 -0.797 1.00 0.00 C ATOM 829 C LEU A 58 1.356 -6.976 -0.183 1.00 0.00 C ATOM 830 O LEU A 58 0.842 -7.716 0.654 1.00 0.00 O ATOM 831 CB LEU A 58 0.167 -6.058 -2.258 1.00 0.00 C ATOM 832 CG LEU A 58 -1.250 -6.584 -2.498 1.00 0.00 C ATOM 833 CD1 LEU A 58 -2.296 -5.543 -2.096 1.00 0.00 C ATOM 834 CD2 LEU A 58 -1.425 -7.045 -3.946 1.00 0.00 C ATOM 0 H LEU A 58 1.774 -4.278 -1.517 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.382 -5.759 -0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.281 -5.118 -2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.874 -6.764 -2.694 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.404 -7.456 -1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.294 -5.942 -2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.186 -5.306 -1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.154 -4.638 -2.687 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.440 -7.414 -4.090 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.245 -6.207 -4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.715 -7.843 -4.162 1.00 0.00 H new ATOM 846 N PRO A 59 2.634 -7.095 -0.634 1.00 0.00 N ATOM 847 CA PRO A 59 3.509 -8.143 -0.138 1.00 0.00 C ATOM 848 C PRO A 59 4.000 -7.824 1.275 1.00 0.00 C ATOM 849 O PRO A 59 4.208 -8.728 2.084 1.00 0.00 O ATOM 850 CB PRO A 59 4.636 -8.229 -1.154 1.00 0.00 C ATOM 851 CG PRO A 59 4.600 -6.921 -1.927 1.00 0.00 C ATOM 852 CD PRO A 59 3.277 -6.237 -1.625 1.00 0.00 C ATOM 0 HA PRO A 59 3.003 -9.104 -0.043 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.598 -8.364 -0.660 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.497 -9.080 -1.820 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.435 -6.283 -1.636 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.698 -7.107 -2.997 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.431 -5.230 -1.237 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.666 -6.142 -2.523 1.00 0.00 H new ATOM 860 N ILE A 60 4.173 -6.535 1.530 1.00 0.00 N ATOM 861 CA ILE A 60 4.637 -6.085 2.832 1.00 0.00 C ATOM 862 C ILE A 60 3.613 -6.481 3.898 1.00 0.00 C ATOM 863 O ILE A 60 3.950 -7.167 4.862 1.00 0.00 O ATOM 864 CB ILE A 60 4.945 -4.587 2.802 1.00 0.00 C ATOM 865 CG1 ILE A 60 6.294 -4.318 2.131 1.00 0.00 C ATOM 866 CG2 ILE A 60 4.873 -3.984 4.207 1.00 0.00 C ATOM 867 CD1 ILE A 60 6.499 -2.821 1.892 1.00 0.00 C ATOM 0 H ILE A 60 4.000 -5.788 0.857 1.00 0.00 H new ATOM 0 HA ILE A 60 5.575 -6.575 3.093 1.00 0.00 H new ATOM 0 HB ILE A 60 4.182 -4.093 2.200 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.099 -4.703 2.757 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.345 -4.852 1.182 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.096 -2.918 4.157 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.872 -4.127 4.613 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.600 -4.477 4.852 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.465 -2.658 1.414 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.706 -2.444 1.246 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.472 -2.293 2.845 1.00 0.00 H new ATOM 879 N ILE A 61 2.384 -6.032 3.689 1.00 0.00 N ATOM 880 CA ILE A 61 1.310 -6.331 4.620 1.00 0.00 C ATOM 881 C ILE A 61 1.096 -7.845 4.676 1.00 0.00 C ATOM 882 O ILE A 61 0.893 -8.407 5.751 1.00 0.00 O ATOM 883 CB ILE A 61 0.049 -5.545 4.253 1.00 0.00 C ATOM 884 CG1 ILE A 61 0.339 -4.045 4.184 1.00 0.00 C ATOM 885 CG2 ILE A 61 -1.095 -5.864 5.217 1.00 0.00 C ATOM 886 CD1 ILE A 61 0.094 -3.376 5.538 1.00 0.00 C ATOM 0 H ILE A 61 2.108 -5.463 2.888 1.00 0.00 H new ATOM 0 HA ILE A 61 1.577 -6.009 5.626 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.271 -5.857 3.259 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.372 -3.885 3.877 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.294 -3.583 3.426 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.979 -5.293 4.934 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.322 -6.929 5.173 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.800 -5.598 6.232 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.308 -2.310 5.461 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.946 -3.517 5.831 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.746 -3.823 6.288 1.00 0.00 H new ATOM 898 N GLY A 62 1.149 -8.462 3.505 1.00 0.00 N ATOM 899 CA GLY A 62 0.964 -9.900 3.408 1.00 0.00 C ATOM 900 C GLY A 62 1.898 -10.640 4.368 1.00 0.00 C ATOM 901 O GLY A 62 1.532 -11.676 4.920 1.00 0.00 O ATOM 0 H GLY A 62 1.317 -7.993 2.615 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.072 -10.153 3.635 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.155 -10.226 2.386 1.00 0.00 H new ATOM 905 N VAL A 63 3.086 -10.078 4.537 1.00 0.00 N ATOM 906 CA VAL A 63 4.075 -10.671 5.421 1.00 0.00 C ATOM 907 C VAL A 63 3.656 -10.443 6.875 1.00 0.00 C ATOM 908 O VAL A 63 3.869 -11.302 7.728 1.00 0.00 O ATOM 909 CB VAL A 63 5.463 -10.110 5.104 1.00 0.00 C ATOM 910 CG1 VAL A 63 6.450 -10.422 6.231 1.00 0.00 C ATOM 911 CG2 VAL A 63 5.976 -10.641 3.764 1.00 0.00 C ATOM 0 H VAL A 63 3.386 -9.219 4.077 1.00 0.00 H new ATOM 0 HA VAL A 63 4.130 -11.748 5.264 1.00 0.00 H new ATOM 0 HB VAL A 63 5.376 -9.026 5.024 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.429 -10.013 5.981 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.096 -9.974 7.159 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.530 -11.502 6.356 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.964 -10.227 3.563 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.040 -11.728 3.804 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.290 -10.346 2.969 1.00 0.00 H new ATOM 921 N VAL A 64 3.066 -9.280 7.112 1.00 0.00 N ATOM 922 CA VAL A 64 2.615 -8.928 8.447 1.00 0.00 C ATOM 923 C VAL A 64 1.562 -9.938 8.908 1.00 0.00 C ATOM 924 O VAL A 64 1.717 -10.569 9.952 1.00 0.00 O ATOM 925 CB VAL A 64 2.108 -7.485 8.465 1.00 0.00 C ATOM 926 CG1 VAL A 64 1.274 -7.212 9.718 1.00 0.00 C ATOM 927 CG2 VAL A 64 3.268 -6.494 8.351 1.00 0.00 C ATOM 0 H VAL A 64 2.890 -8.570 6.401 1.00 0.00 H new ATOM 0 HA VAL A 64 3.443 -8.976 9.155 1.00 0.00 H new ATOM 0 HB VAL A 64 1.463 -7.346 7.597 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.926 -6.179 9.706 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.416 -7.884 9.737 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.885 -7.378 10.605 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.879 -5.476 8.366 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.950 -6.635 9.189 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.802 -6.665 7.416 1.00 0.00 H new ATOM 937 N PHE A 65 0.514 -10.058 8.106 1.00 0.00 N ATOM 938 CA PHE A 65 -0.565 -10.981 8.419 1.00 0.00 C ATOM 939 C PHE A 65 -0.018 -12.368 8.760 1.00 0.00 C ATOM 940 O PHE A 65 -0.426 -12.974 9.749 1.00 0.00 O ATOM 941 CB PHE A 65 -1.441 -11.084 7.169 1.00 0.00 C ATOM 942 CG PHE A 65 -1.724 -12.520 6.724 1.00 0.00 C ATOM 943 CD1 PHE A 65 -2.408 -13.363 7.543 1.00 0.00 C ATOM 944 CD2 PHE A 65 -1.291 -12.953 5.510 1.00 0.00 C ATOM 945 CE1 PHE A 65 -2.671 -14.696 7.130 1.00 0.00 C ATOM 946 CE2 PHE A 65 -1.554 -14.286 5.097 1.00 0.00 C ATOM 947 CZ PHE A 65 -2.238 -15.129 5.915 1.00 0.00 C ATOM 0 H PHE A 65 0.389 -9.532 7.241 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.126 -10.620 9.281 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.389 -10.580 7.359 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.955 -10.551 6.352 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.751 -13.019 8.507 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.747 -12.283 4.860 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.214 -15.366 7.780 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.210 -14.630 4.133 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.438 -16.143 5.600 1.00 0.00 H new ATOM 957 N SER A 66 0.897 -12.831 7.921 1.00 0.00 N ATOM 958 CA SER A 66 1.504 -14.136 8.121 1.00 0.00 C ATOM 959 C SER A 66 2.274 -14.158 9.443 1.00 0.00 C ATOM 960 O SER A 66 2.318 -15.182 10.123 1.00 0.00 O ATOM 961 CB SER A 66 2.432 -14.496 6.960 1.00 0.00 C ATOM 962 OG SER A 66 1.806 -14.299 5.695 1.00 0.00 O ATOM 0 H SER A 66 1.233 -12.326 7.101 1.00 0.00 H new ATOM 0 HA SER A 66 0.709 -14.881 8.159 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.335 -13.888 7.016 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.742 -15.537 7.053 1.00 0.00 H new ATOM 0 HG SER A 66 1.779 -13.341 5.489 1.00 0.00 H new ATOM 968 N PHE A 67 2.863 -13.016 9.767 1.00 0.00 N ATOM 969 CA PHE A 67 3.630 -12.891 10.995 1.00 0.00 C ATOM 970 C PHE A 67 2.718 -12.972 12.221 1.00 0.00 C ATOM 971 O PHE A 67 3.111 -13.504 13.258 1.00 0.00 O ATOM 972 CB PHE A 67 4.302 -11.517 10.964 1.00 0.00 C ATOM 973 CG PHE A 67 5.742 -11.518 11.483 1.00 0.00 C ATOM 974 CD1 PHE A 67 6.010 -11.952 12.744 1.00 0.00 C ATOM 975 CD2 PHE A 67 6.753 -11.084 10.684 1.00 0.00 C ATOM 976 CE1 PHE A 67 7.346 -11.952 13.226 1.00 0.00 C ATOM 977 CE2 PHE A 67 8.089 -11.084 11.166 1.00 0.00 C ATOM 978 CZ PHE A 67 8.357 -11.518 12.426 1.00 0.00 C ATOM 0 H PHE A 67 2.824 -12.169 9.200 1.00 0.00 H new ATOM 0 HA PHE A 67 4.358 -13.699 11.063 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.296 -11.144 9.940 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.712 -10.821 11.561 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.207 -12.297 13.379 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.540 -10.739 9.683 1.00 0.00 H new ATOM 0 HE1 PHE A 67 7.559 -12.296 14.227 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.892 -10.739 10.531 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.373 -11.518 12.792 1.00 0.00 H new ATOM 988 N ILE A 68 1.516 -12.437 12.062 1.00 0.00 N ATOM 989 CA ILE A 68 0.545 -12.442 13.142 1.00 0.00 C ATOM 990 C ILE A 68 0.269 -13.885 13.568 1.00 0.00 C ATOM 991 O ILE A 68 0.395 -14.225 14.743 1.00 0.00 O ATOM 992 CB ILE A 68 -0.711 -11.669 12.737 1.00 0.00 C ATOM 993 CG1 ILE A 68 -0.633 -10.213 13.201 1.00 0.00 C ATOM 994 CG2 ILE A 68 -1.973 -12.366 13.250 1.00 0.00 C ATOM 995 CD1 ILE A 68 0.754 -9.625 12.930 1.00 0.00 C ATOM 0 H ILE A 68 1.193 -11.997 11.200 1.00 0.00 H new ATOM 0 HA ILE A 68 0.943 -11.923 14.014 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.768 -11.658 11.649 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.390 -9.622 12.685 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.855 -10.155 14.267 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.852 -11.796 12.948 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.030 -13.370 12.830 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.937 -12.429 14.338 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.783 -8.589 13.269 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.506 -10.204 13.467 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.963 -9.663 11.861 1.00 0.00 H new ATOM 1007 N TYR A 69 -0.101 -14.696 12.588 1.00 0.00 N ATOM 1008 CA TYR A 69 -0.397 -16.095 12.846 1.00 0.00 C ATOM 1009 C TYR A 69 0.711 -16.745 13.677 1.00 0.00 C ATOM 1010 O TYR A 69 0.435 -17.421 14.666 1.00 0.00 O ATOM 1011 CB TYR A 69 -0.454 -16.774 11.475 1.00 0.00 C ATOM 1012 CG TYR A 69 -1.084 -18.168 11.497 1.00 0.00 C ATOM 1013 CD1 TYR A 69 -2.263 -18.381 12.182 1.00 0.00 C ATOM 1014 CD2 TYR A 69 -0.474 -19.211 10.831 1.00 0.00 C ATOM 1015 CE1 TYR A 69 -2.856 -19.693 12.203 1.00 0.00 C ATOM 1016 CE2 TYR A 69 -1.068 -20.523 10.851 1.00 0.00 C ATOM 1017 CZ TYR A 69 -2.229 -20.699 11.536 1.00 0.00 C ATOM 1018 OH TYR A 69 -2.790 -21.939 11.556 1.00 0.00 O ATOM 0 H TYR A 69 -0.203 -14.411 11.614 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.330 -16.194 13.401 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.020 -16.142 10.791 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.558 -16.850 11.076 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.741 -17.564 12.702 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.449 -19.044 10.295 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.778 -19.874 12.736 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.602 -21.348 10.334 1.00 0.00 H new ATOM 0 HH TYR A 69 -2.235 -22.558 11.037 1.00 0.00 H new ATOM 1028 N LEU A 70 1.943 -16.517 13.244 1.00 0.00 N ATOM 1029 CA LEU A 70 3.094 -17.072 13.936 1.00 0.00 C ATOM 1030 C LEU A 70 3.069 -16.624 15.399 1.00 0.00 C ATOM 1031 O LEU A 70 3.721 -17.229 16.248 1.00 0.00 O ATOM 1032 CB LEU A 70 4.387 -16.708 13.203 1.00 0.00 C ATOM 1033 CG LEU A 70 5.517 -17.736 13.285 1.00 0.00 C ATOM 1034 CD1 LEU A 70 5.616 -18.545 11.990 1.00 0.00 C ATOM 1035 CD2 LEU A 70 6.844 -17.065 13.644 1.00 0.00 C ATOM 0 H LEU A 70 2.169 -15.956 12.423 1.00 0.00 H new ATOM 0 HA LEU A 70 3.050 -18.161 13.935 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.151 -16.540 12.152 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.753 -15.762 13.602 1.00 0.00 H new ATOM 0 HG LEU A 70 5.284 -18.437 14.086 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.427 -19.269 12.074 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.677 -19.071 11.817 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.815 -17.873 11.155 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.630 -17.818 13.696 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.097 -16.328 12.882 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.752 -16.570 14.611 1.00 0.00 H new ATOM 1047 N GLY A 71 2.310 -15.567 15.648 1.00 0.00 N ATOM 1048 CA GLY A 71 2.191 -15.030 16.993 1.00 0.00 C ATOM 1049 C GLY A 71 2.919 -13.690 17.114 1.00 0.00 C ATOM 1050 O GLY A 71 3.347 -13.308 18.203 1.00 0.00 O ATOM 0 H GLY A 71 1.771 -15.068 14.941 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.138 -14.900 17.245 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.605 -15.739 17.710 1.00 0.00 H new ATOM 1054 N ARG A 72 3.035 -13.011 15.982 1.00 0.00 N ATOM 1055 CA ARG A 72 3.703 -11.721 15.948 1.00 0.00 C ATOM 1056 C ARG A 72 4.840 -11.685 16.972 1.00 0.00 C ATOM 1057 O ARG A 72 5.779 -10.903 16.834 1.00 0.00 O ATOM 1058 CB ARG A 72 2.722 -10.585 16.245 1.00 0.00 C ATOM 1059 CG ARG A 72 2.238 -10.644 17.695 1.00 0.00 C ATOM 1060 CD ARG A 72 0.882 -11.347 17.792 1.00 0.00 C ATOM 1061 NE ARG A 72 -0.063 -10.517 18.572 1.00 0.00 N ATOM 1062 CZ ARG A 72 -0.557 -9.345 18.153 1.00 0.00 C ATOM 1063 NH1 ARG A 72 -0.199 -8.856 16.957 1.00 0.00 N ATOM 1064 NH2 ARG A 72 -1.410 -8.661 18.928 1.00 0.00 N ATOM 0 H ARG A 72 2.678 -13.330 15.082 1.00 0.00 H new ATOM 0 HA ARG A 72 4.108 -11.583 14.945 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.204 -9.625 16.057 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.869 -10.651 15.570 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.970 -11.173 18.305 1.00 0.00 H new ATOM 0 HG3 ARG A 72 2.158 -9.634 18.097 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.483 -11.526 16.793 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.001 -12.321 18.267 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.357 -10.859 19.487 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.449 -9.377 16.366 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.575 -7.963 16.638 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.683 -9.033 19.838 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.786 -7.768 18.608 1.00 0.00 H new TER 1078 ARG A 72