USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 553 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 2 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0231 X(o=-0.023,f=-0.023) USER MOD Single : A 28 SER OG : rot -14:sc= -0.871 USER MOD Single : A 30 THR OG1 : rot -27:sc= -0.159 USER MOD Single : A 37 GLN : amide:sc= -0.365 K(o=-0.37,f=-0.89) USER MOD Single : A 45 GLN : amide:sc= -0.0978 K(o=-0.098,f=-1.6!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -51:sc= 1.09 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -41:sc= 1.23 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 -4.886 -14.075 22.530 1.00 0.00 N ATOM 19 CA SER A 2 -5.968 -15.041 22.451 1.00 0.00 C ATOM 20 C SER A 2 -6.037 -15.635 21.043 1.00 0.00 C ATOM 21 O SER A 2 -5.190 -15.344 20.200 1.00 0.00 O ATOM 22 CB SER A 2 -7.306 -14.401 22.823 1.00 0.00 C ATOM 23 OG SER A 2 -7.740 -14.788 24.125 1.00 0.00 O ATOM 0 HA SER A 2 -5.767 -15.839 23.166 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.213 -13.316 22.780 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.060 -14.686 22.090 1.00 0.00 H new ATOM 0 HG SER A 2 -8.597 -14.357 24.326 1.00 0.00 H new ATOM 29 N LEU A 3 -7.055 -16.457 20.831 1.00 0.00 N ATOM 30 CA LEU A 3 -7.246 -17.094 19.539 1.00 0.00 C ATOM 31 C LEU A 3 -8.102 -16.190 18.650 1.00 0.00 C ATOM 32 O LEU A 3 -7.812 -16.024 17.467 1.00 0.00 O ATOM 33 CB LEU A 3 -7.818 -18.502 19.716 1.00 0.00 C ATOM 34 CG LEU A 3 -7.539 -19.487 18.579 1.00 0.00 C ATOM 35 CD1 LEU A 3 -8.037 -18.936 17.241 1.00 0.00 C ATOM 36 CD2 LEU A 3 -6.057 -19.861 18.528 1.00 0.00 C ATOM 0 H LEU A 3 -7.756 -16.696 21.532 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.289 -17.224 19.033 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.419 -18.921 20.640 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.898 -18.421 19.843 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.095 -20.403 18.777 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.826 -19.656 16.450 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -9.112 -18.762 17.296 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.528 -17.997 17.022 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.887 -20.562 17.711 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.461 -18.963 18.366 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.766 -20.325 19.471 1.00 0.00 H new ATOM 48 N GLY A 4 -9.138 -15.629 19.256 1.00 0.00 N ATOM 49 CA GLY A 4 -10.038 -14.745 18.534 1.00 0.00 C ATOM 50 C GLY A 4 -9.308 -13.486 18.061 1.00 0.00 C ATOM 51 O GLY A 4 -9.422 -13.098 16.899 1.00 0.00 O ATOM 0 H GLY A 4 -9.374 -15.769 20.238 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.458 -15.270 17.676 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.873 -14.466 19.177 1.00 0.00 H new ATOM 55 N VAL A 5 -8.574 -12.884 18.985 1.00 0.00 N ATOM 56 CA VAL A 5 -7.826 -11.677 18.677 1.00 0.00 C ATOM 57 C VAL A 5 -6.770 -11.994 17.616 1.00 0.00 C ATOM 58 O VAL A 5 -6.357 -11.113 16.864 1.00 0.00 O ATOM 59 CB VAL A 5 -7.229 -11.091 19.958 1.00 0.00 C ATOM 60 CG1 VAL A 5 -5.995 -11.880 20.400 1.00 0.00 C ATOM 61 CG2 VAL A 5 -6.896 -9.608 19.779 1.00 0.00 C ATOM 0 H VAL A 5 -8.481 -13.209 19.947 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.485 -10.914 18.262 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.979 -11.174 20.745 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.591 -11.442 21.313 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.274 -12.917 20.588 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.240 -11.844 19.615 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.473 -9.216 20.704 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.173 -9.492 18.972 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.805 -9.058 19.534 1.00 0.00 H new ATOM 71 N LEU A 6 -6.363 -13.255 17.590 1.00 0.00 N ATOM 72 CA LEU A 6 -5.363 -13.699 16.634 1.00 0.00 C ATOM 73 C LEU A 6 -5.929 -13.577 15.217 1.00 0.00 C ATOM 74 O LEU A 6 -5.304 -12.977 14.345 1.00 0.00 O ATOM 75 CB LEU A 6 -4.876 -15.106 16.983 1.00 0.00 C ATOM 76 CG LEU A 6 -3.687 -15.625 16.171 1.00 0.00 C ATOM 77 CD1 LEU A 6 -3.347 -17.066 16.557 1.00 0.00 C ATOM 78 CD2 LEU A 6 -3.943 -15.478 14.670 1.00 0.00 C ATOM 0 H LEU A 6 -6.708 -13.983 18.216 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.481 -13.061 16.681 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.605 -15.124 18.039 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.708 -15.799 16.856 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.816 -15.014 16.410 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.499 -17.411 15.965 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.092 -17.109 17.616 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.208 -17.707 16.365 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.083 -15.854 14.116 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.830 -16.049 14.395 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.099 -14.426 14.429 1.00 0.00 H new ATOM 90 N ALA A 7 -7.106 -14.157 15.033 1.00 0.00 N ATOM 91 CA ALA A 7 -7.763 -14.121 13.737 1.00 0.00 C ATOM 92 C ALA A 7 -7.977 -12.665 13.319 1.00 0.00 C ATOM 93 O ALA A 7 -7.958 -12.349 12.130 1.00 0.00 O ATOM 94 CB ALA A 7 -9.074 -14.906 13.808 1.00 0.00 C ATOM 0 H ALA A 7 -7.622 -14.654 15.759 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.140 -14.594 12.977 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.567 -14.879 12.836 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.864 -15.940 14.080 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.726 -14.458 14.558 1.00 0.00 H new ATOM 100 N ALA A 8 -8.175 -11.819 14.318 1.00 0.00 N ATOM 101 CA ALA A 8 -8.392 -10.404 14.068 1.00 0.00 C ATOM 102 C ALA A 8 -7.102 -9.782 13.530 1.00 0.00 C ATOM 103 O ALA A 8 -7.146 -8.842 12.737 1.00 0.00 O ATOM 104 CB ALA A 8 -8.874 -9.727 15.353 1.00 0.00 C ATOM 0 H ALA A 8 -8.190 -12.086 15.302 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.166 -10.261 13.314 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.037 -8.666 15.166 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.808 -10.186 15.678 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.121 -9.847 16.132 1.00 0.00 H new ATOM 110 N ALA A 9 -5.984 -10.330 13.983 1.00 0.00 N ATOM 111 CA ALA A 9 -4.684 -9.841 13.557 1.00 0.00 C ATOM 112 C ALA A 9 -4.443 -10.247 12.101 1.00 0.00 C ATOM 113 O ALA A 9 -3.759 -9.541 11.362 1.00 0.00 O ATOM 114 CB ALA A 9 -3.603 -10.376 14.498 1.00 0.00 C ATOM 0 H ALA A 9 -5.952 -11.108 14.641 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.649 -8.753 13.606 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.628 -10.009 14.178 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.804 -10.035 15.514 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.606 -11.466 14.474 1.00 0.00 H new ATOM 120 N ILE A 10 -5.019 -11.382 11.734 1.00 0.00 N ATOM 121 CA ILE A 10 -4.875 -11.890 10.381 1.00 0.00 C ATOM 122 C ILE A 10 -5.800 -11.108 9.446 1.00 0.00 C ATOM 123 O ILE A 10 -5.361 -10.598 8.417 1.00 0.00 O ATOM 124 CB ILE A 10 -5.105 -13.403 10.349 1.00 0.00 C ATOM 125 CG1 ILE A 10 -3.791 -14.161 10.549 1.00 0.00 C ATOM 126 CG2 ILE A 10 -5.818 -13.822 9.062 1.00 0.00 C ATOM 127 CD1 ILE A 10 -3.867 -15.077 11.773 1.00 0.00 C ATOM 0 H ILE A 10 -5.586 -11.964 12.350 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.857 -11.738 10.024 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.759 -13.667 11.180 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.570 -14.753 9.661 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.973 -13.451 10.672 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.969 -14.901 9.065 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.784 -13.321 9.001 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.210 -13.543 8.202 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.920 -15.604 11.892 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.064 -14.479 12.663 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.670 -15.801 11.636 1.00 0.00 H new ATOM 139 N ALA A 11 -7.064 -11.040 9.838 1.00 0.00 N ATOM 140 CA ALA A 11 -8.055 -10.329 9.048 1.00 0.00 C ATOM 141 C ALA A 11 -7.627 -8.867 8.896 1.00 0.00 C ATOM 142 O ALA A 11 -8.051 -8.186 7.964 1.00 0.00 O ATOM 143 CB ALA A 11 -9.429 -10.469 9.706 1.00 0.00 C ATOM 0 H ALA A 11 -7.424 -11.465 10.692 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.127 -10.757 8.048 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.172 -9.936 9.113 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.699 -11.523 9.763 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.396 -10.048 10.711 1.00 0.00 H new ATOM 149 N VAL A 12 -6.793 -8.429 9.827 1.00 0.00 N ATOM 150 CA VAL A 12 -6.303 -7.061 9.809 1.00 0.00 C ATOM 151 C VAL A 12 -5.207 -6.930 8.750 1.00 0.00 C ATOM 152 O VAL A 12 -5.162 -5.944 8.016 1.00 0.00 O ATOM 153 CB VAL A 12 -5.834 -6.654 11.208 1.00 0.00 C ATOM 154 CG1 VAL A 12 -4.696 -5.635 11.129 1.00 0.00 C ATOM 155 CG2 VAL A 12 -6.998 -6.113 12.040 1.00 0.00 C ATOM 0 H VAL A 12 -6.444 -8.997 10.599 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.103 -6.373 9.536 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.452 -7.545 11.706 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.381 -5.362 12.136 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.854 -6.071 10.591 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.041 -4.745 10.603 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.638 -5.831 13.029 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.423 -5.239 11.546 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.764 -6.883 12.138 1.00 0.00 H new ATOM 165 N GLY A 13 -4.350 -7.940 8.703 1.00 0.00 N ATOM 166 CA GLY A 13 -3.257 -7.950 7.746 1.00 0.00 C ATOM 167 C GLY A 13 -3.777 -8.164 6.323 1.00 0.00 C ATOM 168 O GLY A 13 -3.240 -7.599 5.371 1.00 0.00 O ATOM 0 H GLY A 13 -4.391 -8.757 9.312 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.713 -7.007 7.800 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.552 -8.741 8.002 1.00 0.00 H new ATOM 172 N LEU A 14 -4.815 -8.981 6.223 1.00 0.00 N ATOM 173 CA LEU A 14 -5.413 -9.277 4.932 1.00 0.00 C ATOM 174 C LEU A 14 -6.300 -8.105 4.506 1.00 0.00 C ATOM 175 O LEU A 14 -6.387 -7.787 3.321 1.00 0.00 O ATOM 176 CB LEU A 14 -6.145 -10.619 4.976 1.00 0.00 C ATOM 177 CG LEU A 14 -7.631 -10.561 5.336 1.00 0.00 C ATOM 178 CD1 LEU A 14 -8.473 -10.152 4.127 1.00 0.00 C ATOM 179 CD2 LEU A 14 -8.101 -11.886 5.940 1.00 0.00 C ATOM 0 H LEU A 14 -5.257 -9.447 7.015 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.641 -9.387 4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.046 -11.096 4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.641 -11.262 5.698 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.768 -9.793 6.098 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.525 -10.119 4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.159 -9.167 3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.336 -10.878 3.326 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.160 -11.818 6.187 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.947 -12.689 5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.530 -12.096 6.845 1.00 0.00 H new ATOM 191 N GLY A 15 -6.937 -7.496 5.495 1.00 0.00 N ATOM 192 CA GLY A 15 -7.814 -6.367 5.238 1.00 0.00 C ATOM 193 C GLY A 15 -7.010 -5.124 4.853 1.00 0.00 C ATOM 194 O GLY A 15 -7.345 -4.437 3.889 1.00 0.00 O ATOM 0 H GLY A 15 -6.863 -7.764 6.477 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.509 -6.617 4.437 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.412 -6.157 6.125 1.00 0.00 H new ATOM 198 N ALA A 16 -5.963 -4.873 5.625 1.00 0.00 N ATOM 199 CA ALA A 16 -5.108 -3.725 5.377 1.00 0.00 C ATOM 200 C ALA A 16 -4.234 -4.000 4.152 1.00 0.00 C ATOM 201 O ALA A 16 -3.670 -3.077 3.567 1.00 0.00 O ATOM 202 CB ALA A 16 -4.280 -3.424 6.628 1.00 0.00 C ATOM 0 H ALA A 16 -5.687 -5.445 6.423 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.707 -2.840 5.162 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.639 -2.563 6.441 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.947 -3.206 7.462 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.664 -4.289 6.873 1.00 0.00 H new ATOM 208 N LEU A 17 -4.148 -5.275 3.801 1.00 0.00 N ATOM 209 CA LEU A 17 -3.352 -5.684 2.656 1.00 0.00 C ATOM 210 C LEU A 17 -4.007 -5.166 1.374 1.00 0.00 C ATOM 211 O LEU A 17 -3.394 -4.411 0.621 1.00 0.00 O ATOM 212 CB LEU A 17 -3.136 -7.198 2.667 1.00 0.00 C ATOM 213 CG LEU A 17 -2.908 -7.854 1.304 1.00 0.00 C ATOM 214 CD1 LEU A 17 -1.580 -8.614 1.276 1.00 0.00 C ATOM 215 CD2 LEU A 17 -4.089 -8.748 0.921 1.00 0.00 C ATOM 0 H LEU A 17 -4.616 -6.038 4.289 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.357 -5.243 2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.277 -7.418 3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.004 -7.665 3.132 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.844 -7.067 0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.443 -9.071 0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.761 -7.922 1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.589 -9.391 2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.901 -9.202 -0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.210 -9.531 1.669 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.998 -8.149 0.872 1.00 0.00 H new ATOM 227 N GLY A 18 -5.244 -5.593 1.165 1.00 0.00 N ATOM 228 CA GLY A 18 -5.988 -5.182 -0.013 1.00 0.00 C ATOM 229 C GLY A 18 -6.501 -3.748 0.135 1.00 0.00 C ATOM 230 O GLY A 18 -6.581 -3.009 -0.845 1.00 0.00 O ATOM 0 H GLY A 18 -5.749 -6.219 1.792 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.350 -5.255 -0.894 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.828 -5.858 -0.171 1.00 0.00 H new ATOM 234 N ALA A 19 -6.835 -3.397 1.368 1.00 0.00 N ATOM 235 CA ALA A 19 -7.338 -2.065 1.658 1.00 0.00 C ATOM 236 C ALA A 19 -6.222 -1.043 1.430 1.00 0.00 C ATOM 237 O ALA A 19 -6.446 -0.001 0.814 1.00 0.00 O ATOM 238 CB ALA A 19 -7.883 -2.024 3.087 1.00 0.00 C ATOM 0 H ALA A 19 -6.767 -4.013 2.178 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.160 -1.811 0.989 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.260 -1.025 3.304 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.692 -2.747 3.189 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.085 -2.271 3.788 1.00 0.00 H new ATOM 244 N GLY A 20 -5.045 -1.376 1.938 1.00 0.00 N ATOM 245 CA GLY A 20 -3.894 -0.500 1.797 1.00 0.00 C ATOM 246 C GLY A 20 -3.623 -0.183 0.325 1.00 0.00 C ATOM 247 O GLY A 20 -3.533 0.983 -0.056 1.00 0.00 O ATOM 0 H GLY A 20 -4.863 -2.240 2.448 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.068 0.426 2.346 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.017 -0.973 2.238 1.00 0.00 H new ATOM 251 N ILE A 21 -3.500 -1.242 -0.462 1.00 0.00 N ATOM 252 CA ILE A 21 -3.241 -1.091 -1.884 1.00 0.00 C ATOM 253 C ILE A 21 -4.261 -0.121 -2.484 1.00 0.00 C ATOM 254 O ILE A 21 -3.972 0.561 -3.465 1.00 0.00 O ATOM 255 CB ILE A 21 -3.214 -2.458 -2.571 1.00 0.00 C ATOM 256 CG1 ILE A 21 -2.208 -2.472 -3.724 1.00 0.00 C ATOM 257 CG2 ILE A 21 -4.615 -2.870 -3.028 1.00 0.00 C ATOM 258 CD1 ILE A 21 -0.774 -2.368 -3.202 1.00 0.00 C ATOM 0 H ILE A 21 -3.575 -2.208 -0.142 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.254 -0.658 -2.048 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.882 -3.199 -1.844 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.323 -3.390 -4.301 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.413 -1.643 -4.401 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.567 -3.845 -3.513 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.278 -2.926 -2.164 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.999 -2.133 -3.733 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.079 -2.380 -4.042 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.656 -1.438 -2.647 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.564 -3.212 -2.545 1.00 0.00 H new ATOM 270 N GLY A 22 -5.435 -0.092 -1.869 1.00 0.00 N ATOM 271 CA GLY A 22 -6.499 0.783 -2.330 1.00 0.00 C ATOM 272 C GLY A 22 -6.195 2.243 -1.989 1.00 0.00 C ATOM 273 O GLY A 22 -6.575 3.149 -2.729 1.00 0.00 O ATOM 0 H GLY A 22 -5.672 -0.660 -1.056 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.622 0.676 -3.408 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.442 0.487 -1.871 1.00 0.00 H new ATOM 277 N ASN A 23 -5.514 2.426 -0.868 1.00 0.00 N ATOM 278 CA ASN A 23 -5.154 3.761 -0.419 1.00 0.00 C ATOM 279 C ASN A 23 -3.932 4.245 -1.202 1.00 0.00 C ATOM 280 O ASN A 23 -3.744 5.447 -1.384 1.00 0.00 O ATOM 281 CB ASN A 23 -4.795 3.764 1.068 1.00 0.00 C ATOM 282 CG ASN A 23 -4.308 5.146 1.511 1.00 0.00 C ATOM 283 OD1 ASN A 23 -3.161 5.340 1.876 1.00 0.00 O ATOM 284 ND2 ASN A 23 -5.242 6.091 1.459 1.00 0.00 N ATOM 0 H ASN A 23 -5.201 1.672 -0.256 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.010 4.415 -0.584 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.666 3.475 1.657 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.020 3.022 1.260 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -5.016 7.047 1.735 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.184 5.860 1.143 1.00 0.00 H new ATOM 291 N GLY A 24 -3.134 3.285 -1.645 1.00 0.00 N ATOM 292 CA GLY A 24 -1.935 3.599 -2.404 1.00 0.00 C ATOM 293 C GLY A 24 -2.279 3.937 -3.856 1.00 0.00 C ATOM 294 O GLY A 24 -1.653 4.807 -4.459 1.00 0.00 O ATOM 0 H GLY A 24 -3.294 2.289 -1.493 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.419 4.441 -1.943 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.250 2.751 -2.376 1.00 0.00 H new ATOM 298 N LEU A 25 -3.273 3.231 -4.375 1.00 0.00 N ATOM 299 CA LEU A 25 -3.707 3.445 -5.745 1.00 0.00 C ATOM 300 C LEU A 25 -4.539 4.727 -5.817 1.00 0.00 C ATOM 301 O LEU A 25 -4.497 5.443 -6.816 1.00 0.00 O ATOM 302 CB LEU A 25 -4.434 2.208 -6.276 1.00 0.00 C ATOM 303 CG LEU A 25 -5.652 1.749 -5.471 1.00 0.00 C ATOM 304 CD1 LEU A 25 -6.891 2.570 -5.834 1.00 0.00 C ATOM 305 CD2 LEU A 25 -5.888 0.247 -5.644 1.00 0.00 C ATOM 0 H LEU A 25 -3.790 2.510 -3.871 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.847 3.586 -6.400 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.754 2.410 -7.298 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.722 1.384 -6.322 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.449 1.924 -4.414 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.742 2.223 -5.248 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.706 3.622 -5.618 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.109 2.450 -6.895 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.759 -0.054 -5.062 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.061 0.025 -6.697 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.012 -0.301 -5.296 1.00 0.00 H new ATOM 317 N ILE A 26 -5.277 4.976 -4.745 1.00 0.00 N ATOM 318 CA ILE A 26 -6.118 6.159 -4.675 1.00 0.00 C ATOM 319 C ILE A 26 -5.235 7.399 -4.519 1.00 0.00 C ATOM 320 O ILE A 26 -5.457 8.410 -5.183 1.00 0.00 O ATOM 321 CB ILE A 26 -7.165 6.006 -3.569 1.00 0.00 C ATOM 322 CG1 ILE A 26 -8.436 5.345 -4.105 1.00 0.00 C ATOM 323 CG2 ILE A 26 -7.456 7.351 -2.901 1.00 0.00 C ATOM 324 CD1 ILE A 26 -9.052 6.175 -5.234 1.00 0.00 C ATOM 0 H ILE A 26 -5.310 4.379 -3.918 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.680 6.283 -5.600 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.759 5.347 -2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.204 4.344 -4.470 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.159 5.230 -3.297 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.203 7.215 -2.119 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.539 7.745 -2.462 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.833 8.053 -3.645 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.954 5.683 -5.597 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.305 7.167 -4.860 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.336 6.267 -6.050 1.00 0.00 H new ATOM 336 N VAL A 27 -4.253 7.279 -3.638 1.00 0.00 N ATOM 337 CA VAL A 27 -3.336 8.378 -3.387 1.00 0.00 C ATOM 338 C VAL A 27 -2.449 8.587 -4.615 1.00 0.00 C ATOM 339 O VAL A 27 -2.156 9.722 -4.988 1.00 0.00 O ATOM 340 CB VAL A 27 -2.536 8.111 -2.110 1.00 0.00 C ATOM 341 CG1 VAL A 27 -1.643 6.879 -2.271 1.00 0.00 C ATOM 342 CG2 VAL A 27 -1.714 9.337 -1.711 1.00 0.00 C ATOM 0 H VAL A 27 -4.072 6.438 -3.089 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.886 9.304 -3.222 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.244 7.908 -1.307 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.085 6.711 -1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.261 6.007 -2.485 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.946 7.040 -3.093 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.155 9.120 -0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.019 9.586 -2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.381 10.181 -1.535 1.00 0.00 H new ATOM 352 N SER A 28 -2.045 7.474 -5.210 1.00 0.00 N ATOM 353 CA SER A 28 -1.197 7.521 -6.389 1.00 0.00 C ATOM 354 C SER A 28 -1.962 8.142 -7.560 1.00 0.00 C ATOM 355 O SER A 28 -1.363 8.761 -8.438 1.00 0.00 O ATOM 356 CB SER A 28 -0.696 6.125 -6.763 1.00 0.00 C ATOM 357 OG SER A 28 -1.750 5.286 -7.227 1.00 0.00 O ATOM 0 H SER A 28 -2.289 6.534 -4.898 1.00 0.00 H new ATOM 0 HA SER A 28 -0.329 8.140 -6.161 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.068 6.209 -7.536 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.222 5.666 -5.896 1.00 0.00 H new ATOM 0 HG SER A 28 -2.614 5.693 -7.006 1.00 0.00 H new ATOM 363 N ARG A 29 -3.273 7.954 -7.534 1.00 0.00 N ATOM 364 CA ARG A 29 -4.126 8.488 -8.582 1.00 0.00 C ATOM 365 C ARG A 29 -4.188 10.014 -8.490 1.00 0.00 C ATOM 366 O ARG A 29 -4.211 10.701 -9.510 1.00 0.00 O ATOM 367 CB ARG A 29 -5.543 7.920 -8.483 1.00 0.00 C ATOM 368 CG ARG A 29 -6.012 7.377 -9.834 1.00 0.00 C ATOM 369 CD ARG A 29 -6.514 8.507 -10.735 1.00 0.00 C ATOM 370 NE ARG A 29 -7.960 8.339 -10.999 1.00 0.00 N ATOM 371 CZ ARG A 29 -8.738 9.284 -11.546 1.00 0.00 C ATOM 372 NH1 ARG A 29 -8.214 10.468 -11.889 1.00 0.00 N ATOM 373 NH2 ARG A 29 -10.041 9.043 -11.749 1.00 0.00 N ATOM 0 H ARG A 29 -3.765 7.439 -6.804 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.696 8.195 -9.540 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.568 7.124 -7.739 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.227 8.697 -8.142 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.191 6.854 -10.324 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.808 6.649 -9.681 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.332 9.471 -10.259 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.962 8.506 -11.675 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.392 7.449 -10.749 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.223 10.651 -11.734 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.806 11.187 -12.305 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.440 8.141 -11.487 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.634 9.761 -12.165 1.00 0.00 H new ATOM 387 N THR A 30 -4.214 10.500 -7.258 1.00 0.00 N ATOM 388 CA THR A 30 -4.273 11.932 -7.019 1.00 0.00 C ATOM 389 C THR A 30 -2.892 12.562 -7.210 1.00 0.00 C ATOM 390 O THR A 30 -2.773 13.644 -7.784 1.00 0.00 O ATOM 391 CB THR A 30 -4.854 12.155 -5.622 1.00 0.00 C ATOM 392 OG1 THR A 30 -3.928 11.507 -4.753 1.00 0.00 O ATOM 393 CG2 THR A 30 -6.164 11.394 -5.404 1.00 0.00 C ATOM 0 H THR A 30 -4.195 9.927 -6.414 1.00 0.00 H new ATOM 0 HA THR A 30 -4.924 12.426 -7.740 1.00 0.00 H new ATOM 0 HB THR A 30 -5.022 13.220 -5.465 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.473 10.787 -5.238 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.534 11.587 -4.397 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.904 11.727 -6.132 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.989 10.325 -5.528 1.00 0.00 H new ATOM 401 N ILE A 31 -1.883 11.859 -6.719 1.00 0.00 N ATOM 402 CA ILE A 31 -0.515 12.336 -6.828 1.00 0.00 C ATOM 403 C ILE A 31 -0.123 12.413 -8.305 1.00 0.00 C ATOM 404 O ILE A 31 0.463 13.401 -8.745 1.00 0.00 O ATOM 405 CB ILE A 31 0.424 11.469 -5.987 1.00 0.00 C ATOM 406 CG1 ILE A 31 1.379 12.335 -5.163 1.00 0.00 C ATOM 407 CG2 ILE A 31 1.173 10.463 -6.863 1.00 0.00 C ATOM 408 CD1 ILE A 31 1.667 11.693 -3.804 1.00 0.00 C ATOM 0 H ILE A 31 -1.985 10.962 -6.244 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.430 13.344 -6.422 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.179 10.896 -5.283 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.312 12.474 -5.709 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.945 13.324 -5.017 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.834 9.859 -6.241 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.456 9.814 -7.367 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.764 10.997 -7.607 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.348 12.329 -3.238 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.735 11.578 -3.251 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.124 10.715 -3.953 1.00 0.00 H new ATOM 420 N GLU A 32 -0.461 11.356 -9.030 1.00 0.00 N ATOM 421 CA GLU A 32 -0.151 11.292 -10.448 1.00 0.00 C ATOM 422 C GLU A 32 -1.008 12.294 -11.225 1.00 0.00 C ATOM 423 O GLU A 32 -0.614 12.753 -12.296 1.00 0.00 O ATOM 424 CB GLU A 32 -0.344 9.873 -10.987 1.00 0.00 C ATOM 425 CG GLU A 32 -1.828 9.552 -11.170 1.00 0.00 C ATOM 426 CD GLU A 32 -2.181 9.412 -12.652 1.00 0.00 C ATOM 427 OE1 GLU A 32 -2.195 10.460 -13.333 1.00 0.00 O ATOM 428 OE2 GLU A 32 -2.428 8.260 -13.070 1.00 0.00 O ATOM 0 H GLU A 32 -0.946 10.538 -8.662 1.00 0.00 H new ATOM 0 HA GLU A 32 0.897 11.558 -10.583 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.174 9.769 -11.940 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.105 9.155 -10.300 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.071 8.628 -10.646 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.432 10.341 -10.722 1.00 0.00 H new ATOM 435 N GLY A 33 -2.163 12.604 -10.654 1.00 0.00 N ATOM 436 CA GLY A 33 -3.078 13.543 -11.279 1.00 0.00 C ATOM 437 C GLY A 33 -2.532 14.971 -11.208 1.00 0.00 C ATOM 438 O GLY A 33 -2.858 15.806 -12.049 1.00 0.00 O ATOM 0 H GLY A 33 -2.486 12.221 -9.765 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.238 13.262 -12.320 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.048 13.496 -10.784 1.00 0.00 H new ATOM 442 N ILE A 34 -1.711 15.206 -10.195 1.00 0.00 N ATOM 443 CA ILE A 34 -1.117 16.518 -10.003 1.00 0.00 C ATOM 444 C ILE A 34 0.057 16.688 -10.969 1.00 0.00 C ATOM 445 O ILE A 34 0.355 17.801 -11.399 1.00 0.00 O ATOM 446 CB ILE A 34 -0.740 16.725 -8.534 1.00 0.00 C ATOM 447 CG1 ILE A 34 0.677 16.219 -8.256 1.00 0.00 C ATOM 448 CG2 ILE A 34 -1.772 16.081 -7.607 1.00 0.00 C ATOM 449 CD1 ILE A 34 1.679 17.375 -8.234 1.00 0.00 C ATOM 0 H ILE A 34 -1.443 14.510 -9.499 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.838 17.301 -10.237 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.746 17.795 -8.327 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.699 15.696 -7.300 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.966 15.498 -9.020 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.480 16.243 -6.569 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.750 16.530 -7.783 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.823 15.011 -7.807 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.678 16.987 -8.034 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.672 17.881 -9.200 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.402 18.082 -7.452 1.00 0.00 H new ATOM 461 N ALA A 35 0.692 15.568 -11.282 1.00 0.00 N ATOM 462 CA ALA A 35 1.826 15.579 -12.190 1.00 0.00 C ATOM 463 C ALA A 35 1.327 15.796 -13.620 1.00 0.00 C ATOM 464 O ALA A 35 2.120 16.047 -14.526 1.00 0.00 O ATOM 465 CB ALA A 35 2.615 14.277 -12.038 1.00 0.00 C ATOM 0 H ALA A 35 0.442 14.647 -10.923 1.00 0.00 H new ATOM 0 HA ALA A 35 2.502 16.399 -11.949 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.466 14.285 -12.719 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.972 14.186 -11.012 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.970 13.431 -12.274 1.00 0.00 H new ATOM 471 N ARG A 36 0.016 15.689 -13.778 1.00 0.00 N ATOM 472 CA ARG A 36 -0.598 15.870 -15.082 1.00 0.00 C ATOM 473 C ARG A 36 -0.087 17.156 -15.736 1.00 0.00 C ATOM 474 O ARG A 36 0.331 17.145 -16.892 1.00 0.00 O ATOM 475 CB ARG A 36 -2.122 15.934 -14.970 1.00 0.00 C ATOM 476 CG ARG A 36 -2.727 14.530 -14.906 1.00 0.00 C ATOM 477 CD ARG A 36 -4.251 14.583 -15.026 1.00 0.00 C ATOM 478 NE ARG A 36 -4.677 13.993 -16.315 1.00 0.00 N ATOM 479 CZ ARG A 36 -4.827 14.693 -17.448 1.00 0.00 C ATOM 480 NH1 ARG A 36 -4.585 16.011 -17.459 1.00 0.00 N ATOM 481 NH2 ARG A 36 -5.218 14.074 -18.571 1.00 0.00 N ATOM 0 H ARG A 36 -0.638 15.479 -13.024 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.326 15.012 -15.697 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.401 16.495 -14.078 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.531 16.471 -15.826 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.317 13.917 -15.708 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.449 14.053 -13.966 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.708 14.040 -14.199 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.594 15.615 -14.958 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.868 12.991 -16.343 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.286 16.482 -16.605 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.699 16.543 -18.322 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.401 13.071 -18.563 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.332 14.606 -19.433 1.00 0.00 H new ATOM 495 N GLN A 37 -0.139 18.233 -14.967 1.00 0.00 N ATOM 496 CA GLN A 37 0.313 19.525 -15.456 1.00 0.00 C ATOM 497 C GLN A 37 1.710 19.401 -16.068 1.00 0.00 C ATOM 498 O GLN A 37 2.377 18.381 -15.900 1.00 0.00 O ATOM 499 CB GLN A 37 0.294 20.571 -14.340 1.00 0.00 C ATOM 500 CG GLN A 37 -0.956 21.448 -14.433 1.00 0.00 C ATOM 501 CD GLN A 37 -0.612 22.921 -14.198 1.00 0.00 C ATOM 502 OE1 GLN A 37 -0.468 23.706 -15.121 1.00 0.00 O ATOM 503 NE2 GLN A 37 -0.487 23.249 -12.915 1.00 0.00 N ATOM 0 H GLN A 37 -0.487 18.238 -14.008 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.375 19.859 -16.233 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.323 20.074 -13.370 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.186 21.194 -14.405 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.415 21.330 -15.415 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.690 21.120 -13.697 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.621 22.542 -12.192 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.257 24.208 -12.654 1.00 0.00 H new ATOM 512 N PRO A 38 2.122 20.482 -16.783 1.00 0.00 N ATOM 513 CA PRO A 38 3.427 20.504 -17.421 1.00 0.00 C ATOM 514 C PRO A 38 4.538 20.719 -16.390 1.00 0.00 C ATOM 515 O PRO A 38 5.435 19.888 -16.256 1.00 0.00 O ATOM 516 CB PRO A 38 3.345 21.622 -18.448 1.00 0.00 C ATOM 517 CG PRO A 38 2.165 22.485 -18.030 1.00 0.00 C ATOM 518 CD PRO A 38 1.359 21.707 -17.003 1.00 0.00 C ATOM 0 HA PRO A 38 3.676 19.558 -17.902 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.267 22.203 -18.467 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.200 21.221 -19.451 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.512 23.428 -17.608 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.547 22.731 -18.894 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.244 22.273 -16.079 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.356 21.488 -17.370 1.00 0.00 H new ATOM 526 N GLU A 39 4.441 21.839 -15.689 1.00 0.00 N ATOM 527 CA GLU A 39 5.426 22.175 -14.675 1.00 0.00 C ATOM 528 C GLU A 39 5.624 20.997 -13.718 1.00 0.00 C ATOM 529 O GLU A 39 6.693 20.845 -13.129 1.00 0.00 O ATOM 530 CB GLU A 39 5.020 23.438 -13.913 1.00 0.00 C ATOM 531 CG GLU A 39 6.248 24.272 -13.542 1.00 0.00 C ATOM 532 CD GLU A 39 6.144 24.792 -12.107 1.00 0.00 C ATOM 533 OE1 GLU A 39 5.534 25.870 -11.937 1.00 0.00 O ATOM 534 OE2 GLU A 39 6.677 24.100 -11.213 1.00 0.00 O ATOM 0 H GLU A 39 3.695 22.525 -15.803 1.00 0.00 H new ATOM 0 HA GLU A 39 6.375 22.379 -15.171 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.342 24.034 -14.524 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.476 23.163 -13.009 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.149 23.667 -13.649 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.344 25.111 -14.231 1.00 0.00 H new ATOM 541 N LEU A 40 4.578 20.194 -13.593 1.00 0.00 N ATOM 542 CA LEU A 40 4.624 19.035 -12.718 1.00 0.00 C ATOM 543 C LEU A 40 4.919 17.785 -13.550 1.00 0.00 C ATOM 544 O LEU A 40 4.464 16.692 -13.216 1.00 0.00 O ATOM 545 CB LEU A 40 3.339 18.936 -11.893 1.00 0.00 C ATOM 546 CG LEU A 40 3.010 20.146 -11.016 1.00 0.00 C ATOM 547 CD1 LEU A 40 1.733 20.839 -11.495 1.00 0.00 C ATOM 548 CD2 LEU A 40 2.927 19.747 -9.541 1.00 0.00 C ATOM 0 H LEU A 40 3.693 20.323 -14.083 1.00 0.00 H new ATOM 0 HA LEU A 40 5.433 19.135 -11.995 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.505 18.769 -12.575 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.409 18.056 -11.253 1.00 0.00 H new ATOM 0 HG LEU A 40 3.822 20.867 -11.110 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.522 21.695 -10.855 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.866 21.178 -12.522 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.900 20.138 -11.450 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.692 20.625 -8.939 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.146 18.998 -9.410 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.884 19.334 -9.222 1.00 0.00 H new ATOM 560 N ARG A 41 5.678 17.989 -14.616 1.00 0.00 N ATOM 561 CA ARG A 41 6.039 16.892 -15.498 1.00 0.00 C ATOM 562 C ARG A 41 6.950 15.902 -14.769 1.00 0.00 C ATOM 563 O ARG A 41 6.826 14.692 -14.946 1.00 0.00 O ATOM 564 CB ARG A 41 6.753 17.404 -16.751 1.00 0.00 C ATOM 565 CG ARG A 41 7.464 16.263 -17.482 1.00 0.00 C ATOM 566 CD ARG A 41 6.472 15.173 -17.893 1.00 0.00 C ATOM 567 NE ARG A 41 5.939 15.457 -19.244 1.00 0.00 N ATOM 568 CZ ARG A 41 5.302 14.557 -20.005 1.00 0.00 C ATOM 569 NH1 ARG A 41 5.114 13.310 -19.552 1.00 0.00 N ATOM 570 NH2 ARG A 41 4.852 14.903 -21.219 1.00 0.00 N ATOM 0 H ARG A 41 6.053 18.897 -14.889 1.00 0.00 H new ATOM 0 HA ARG A 41 5.118 16.391 -15.797 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.031 17.874 -17.419 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.477 18.170 -16.474 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.969 16.652 -18.366 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.232 15.836 -16.837 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.964 14.200 -17.884 1.00 0.00 H new ATOM 0 HD3 ARG A 41 5.655 15.124 -17.174 1.00 0.00 H new ATOM 0 HE ARG A 41 6.064 16.397 -19.619 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.456 13.046 -18.628 1.00 0.00 H new ATOM 0 HH12 ARG A 41 4.629 12.625 -20.131 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.994 15.852 -21.564 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.367 14.217 -21.798 1.00 0.00 H new ATOM 584 N PRO A 42 7.870 16.469 -13.942 1.00 0.00 N ATOM 585 CA PRO A 42 8.801 15.651 -13.185 1.00 0.00 C ATOM 586 C PRO A 42 8.103 14.976 -12.003 1.00 0.00 C ATOM 587 O PRO A 42 8.612 14.003 -11.449 1.00 0.00 O ATOM 588 CB PRO A 42 9.905 16.604 -12.758 1.00 0.00 C ATOM 589 CG PRO A 42 9.323 18.002 -12.890 1.00 0.00 C ATOM 590 CD PRO A 42 8.045 17.900 -13.707 1.00 0.00 C ATOM 0 HA PRO A 42 9.209 14.827 -13.771 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.217 16.406 -11.732 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.787 16.487 -13.388 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.115 18.423 -11.906 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.035 18.668 -13.377 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.196 18.320 -13.168 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.130 18.448 -14.645 1.00 0.00 H new ATOM 598 N VAL A 43 6.948 15.521 -11.650 1.00 0.00 N ATOM 599 CA VAL A 43 6.174 14.983 -10.543 1.00 0.00 C ATOM 600 C VAL A 43 5.746 13.552 -10.873 1.00 0.00 C ATOM 601 O VAL A 43 5.569 12.731 -9.975 1.00 0.00 O ATOM 602 CB VAL A 43 4.992 15.905 -10.235 1.00 0.00 C ATOM 603 CG1 VAL A 43 4.032 15.250 -9.240 1.00 0.00 C ATOM 604 CG2 VAL A 43 5.475 17.262 -9.719 1.00 0.00 C ATOM 0 H VAL A 43 6.529 16.329 -12.110 1.00 0.00 H new ATOM 0 HA VAL A 43 6.780 14.940 -9.638 1.00 0.00 H new ATOM 0 HB VAL A 43 4.448 16.075 -11.164 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.201 15.926 -9.038 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.650 14.320 -9.661 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.561 15.037 -8.311 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.615 17.898 -9.508 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.054 17.119 -8.806 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.101 17.737 -10.475 1.00 0.00 H new ATOM 614 N LEU A 44 5.592 13.297 -12.164 1.00 0.00 N ATOM 615 CA LEU A 44 5.188 11.979 -12.623 1.00 0.00 C ATOM 616 C LEU A 44 6.161 10.933 -12.077 1.00 0.00 C ATOM 617 O LEU A 44 5.743 9.875 -11.609 1.00 0.00 O ATOM 618 CB LEU A 44 5.057 11.960 -14.148 1.00 0.00 C ATOM 619 CG LEU A 44 3.700 12.391 -14.709 1.00 0.00 C ATOM 620 CD1 LEU A 44 3.834 12.875 -16.155 1.00 0.00 C ATOM 621 CD2 LEU A 44 2.669 11.270 -14.573 1.00 0.00 C ATOM 0 H LEU A 44 5.740 13.981 -12.906 1.00 0.00 H new ATOM 0 HA LEU A 44 4.200 11.728 -12.237 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.825 12.611 -14.567 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.269 10.950 -14.499 1.00 0.00 H new ATOM 0 HG LEU A 44 3.338 13.233 -14.119 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.856 13.175 -16.530 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.514 13.726 -16.192 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.228 12.069 -16.774 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.714 11.603 -14.979 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.011 10.393 -15.122 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.546 11.014 -13.521 1.00 0.00 H new ATOM 633 N GLN A 45 7.442 11.265 -12.154 1.00 0.00 N ATOM 634 CA GLN A 45 8.478 10.367 -11.673 1.00 0.00 C ATOM 635 C GLN A 45 8.266 10.059 -10.189 1.00 0.00 C ATOM 636 O GLN A 45 8.567 8.957 -9.732 1.00 0.00 O ATOM 637 CB GLN A 45 9.869 10.954 -11.918 1.00 0.00 C ATOM 638 CG GLN A 45 10.962 9.951 -11.542 1.00 0.00 C ATOM 639 CD GLN A 45 12.229 10.186 -12.366 1.00 0.00 C ATOM 640 OE1 GLN A 45 12.340 11.134 -13.126 1.00 0.00 O ATOM 641 NE2 GLN A 45 13.177 9.273 -12.173 1.00 0.00 N ATOM 0 H GLN A 45 7.786 12.143 -12.542 1.00 0.00 H new ATOM 0 HA GLN A 45 8.411 9.433 -12.231 1.00 0.00 H new ATOM 0 HB2 GLN A 45 9.971 11.232 -12.967 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.991 11.866 -11.334 1.00 0.00 H new ATOM 0 HG2 GLN A 45 11.193 10.040 -10.480 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.601 8.936 -11.706 1.00 0.00 H new ATOM 0 HE21 GLN A 45 13.019 8.504 -11.522 1.00 0.00 H new ATOM 0 HE22 GLN A 45 14.062 9.342 -12.676 1.00 0.00 H new ATOM 650 N THR A 46 7.751 11.052 -9.479 1.00 0.00 N ATOM 651 CA THR A 46 7.496 10.900 -8.057 1.00 0.00 C ATOM 652 C THR A 46 6.254 10.038 -7.827 1.00 0.00 C ATOM 653 O THR A 46 6.189 9.282 -6.859 1.00 0.00 O ATOM 654 CB THR A 46 7.387 12.298 -7.445 1.00 0.00 C ATOM 655 OG1 THR A 46 8.389 12.313 -6.432 1.00 0.00 O ATOM 656 CG2 THR A 46 6.079 12.502 -6.678 1.00 0.00 C ATOM 0 H THR A 46 7.504 11.964 -9.862 1.00 0.00 H new ATOM 0 HA THR A 46 8.313 10.375 -7.562 1.00 0.00 H new ATOM 0 HB THR A 46 7.465 13.046 -8.234 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.389 13.185 -5.985 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.053 13.510 -6.264 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.235 12.366 -7.355 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.015 11.776 -5.868 1.00 0.00 H new ATOM 664 N THR A 47 5.297 10.180 -8.733 1.00 0.00 N ATOM 665 CA THR A 47 4.060 9.423 -8.640 1.00 0.00 C ATOM 666 C THR A 47 4.284 7.979 -9.094 1.00 0.00 C ATOM 667 O THR A 47 3.628 7.062 -8.603 1.00 0.00 O ATOM 668 CB THR A 47 2.995 10.159 -9.455 1.00 0.00 C ATOM 669 OG1 THR A 47 3.301 9.827 -10.807 1.00 0.00 O ATOM 670 CG2 THR A 47 3.159 11.679 -9.398 1.00 0.00 C ATOM 0 H THR A 47 5.353 10.808 -9.535 1.00 0.00 H new ATOM 0 HA THR A 47 3.712 9.356 -7.609 1.00 0.00 H new ATOM 0 HB THR A 47 2.006 9.887 -9.087 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.250 10.002 -10.980 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.378 12.152 -9.993 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.081 12.015 -8.364 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.135 11.955 -9.796 1.00 0.00 H new ATOM 678 N MET A 48 5.211 7.823 -10.027 1.00 0.00 N ATOM 679 CA MET A 48 5.529 6.506 -10.553 1.00 0.00 C ATOM 680 C MET A 48 6.189 5.633 -9.483 1.00 0.00 C ATOM 681 O MET A 48 5.871 4.451 -9.358 1.00 0.00 O ATOM 682 CB MET A 48 6.472 6.648 -11.749 1.00 0.00 C ATOM 683 CG MET A 48 5.685 6.785 -13.054 1.00 0.00 C ATOM 684 SD MET A 48 6.693 6.265 -14.433 1.00 0.00 S ATOM 685 CE MET A 48 6.086 4.601 -14.651 1.00 0.00 C ATOM 0 H MET A 48 5.752 8.586 -10.433 1.00 0.00 H new ATOM 0 HA MET A 48 4.601 6.026 -10.865 1.00 0.00 H new ATOM 0 HB2 MET A 48 7.110 7.521 -11.612 1.00 0.00 H new ATOM 0 HB3 MET A 48 7.128 5.779 -11.805 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.779 6.181 -13.007 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.371 7.820 -13.192 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.613 4.127 -15.479 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.255 4.029 -13.738 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.018 4.629 -14.869 1.00 0.00 H new ATOM 695 N PHE A 49 7.096 6.249 -8.739 1.00 0.00 N ATOM 696 CA PHE A 49 7.803 5.543 -7.684 1.00 0.00 C ATOM 697 C PHE A 49 6.880 5.266 -6.495 1.00 0.00 C ATOM 698 O PHE A 49 7.025 4.252 -5.816 1.00 0.00 O ATOM 699 CB PHE A 49 8.946 6.452 -7.226 1.00 0.00 C ATOM 700 CG PHE A 49 10.198 5.697 -6.776 1.00 0.00 C ATOM 701 CD1 PHE A 49 10.236 5.114 -5.548 1.00 0.00 C ATOM 702 CD2 PHE A 49 11.273 5.608 -7.605 1.00 0.00 C ATOM 703 CE1 PHE A 49 11.399 4.414 -5.130 1.00 0.00 C ATOM 704 CE2 PHE A 49 12.436 4.908 -7.187 1.00 0.00 C ATOM 705 CZ PHE A 49 12.474 4.325 -5.958 1.00 0.00 C ATOM 0 H PHE A 49 7.357 7.229 -8.846 1.00 0.00 H new ATOM 0 HA PHE A 49 8.168 4.586 -8.057 1.00 0.00 H new ATOM 0 HB2 PHE A 49 9.213 7.123 -8.043 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.594 7.075 -6.403 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.382 5.183 -4.891 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.242 6.070 -8.581 1.00 0.00 H new ATOM 0 HE1 PHE A 49 11.430 3.952 -4.154 1.00 0.00 H new ATOM 0 HE2 PHE A 49 13.290 4.838 -7.844 1.00 0.00 H new ATOM 0 HZ PHE A 49 13.358 3.792 -5.640 1.00 0.00 H new ATOM 715 N ILE A 50 5.952 6.187 -6.281 1.00 0.00 N ATOM 716 CA ILE A 50 5.006 6.055 -5.186 1.00 0.00 C ATOM 717 C ILE A 50 4.038 4.909 -5.490 1.00 0.00 C ATOM 718 O ILE A 50 3.581 4.220 -4.579 1.00 0.00 O ATOM 719 CB ILE A 50 4.311 7.391 -4.914 1.00 0.00 C ATOM 720 CG1 ILE A 50 4.442 7.787 -3.442 1.00 0.00 C ATOM 721 CG2 ILE A 50 2.851 7.352 -5.370 1.00 0.00 C ATOM 722 CD1 ILE A 50 5.850 8.303 -3.137 1.00 0.00 C ATOM 0 H ILE A 50 5.835 7.027 -6.847 1.00 0.00 H new ATOM 0 HA ILE A 50 5.525 5.798 -4.263 1.00 0.00 H new ATOM 0 HB ILE A 50 4.811 8.162 -5.500 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.709 8.557 -3.202 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.221 6.928 -2.809 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.380 8.313 -5.165 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.809 7.148 -6.440 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.322 6.567 -4.830 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.917 8.578 -2.084 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.579 7.522 -3.355 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.059 9.177 -3.754 1.00 0.00 H new ATOM 734 N GLY A 51 3.754 4.741 -6.773 1.00 0.00 N ATOM 735 CA GLY A 51 2.849 3.691 -7.208 1.00 0.00 C ATOM 736 C GLY A 51 3.427 2.308 -6.902 1.00 0.00 C ATOM 737 O GLY A 51 2.766 1.479 -6.278 1.00 0.00 O ATOM 0 H GLY A 51 4.135 5.315 -7.526 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.887 3.806 -6.709 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.666 3.784 -8.279 1.00 0.00 H new ATOM 741 N VAL A 52 4.654 2.101 -7.356 1.00 0.00 N ATOM 742 CA VAL A 52 5.329 0.833 -7.139 1.00 0.00 C ATOM 743 C VAL A 52 5.435 0.567 -5.636 1.00 0.00 C ATOM 744 O VAL A 52 5.076 -0.512 -5.166 1.00 0.00 O ATOM 745 CB VAL A 52 6.688 0.836 -7.842 1.00 0.00 C ATOM 746 CG1 VAL A 52 7.365 -0.532 -7.732 1.00 0.00 C ATOM 747 CG2 VAL A 52 6.547 1.261 -9.305 1.00 0.00 C ATOM 0 H VAL A 52 5.199 2.791 -7.874 1.00 0.00 H new ATOM 0 HA VAL A 52 4.754 0.016 -7.575 1.00 0.00 H new ATOM 0 HB VAL A 52 7.323 1.566 -7.340 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.329 -0.503 -8.240 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.516 -0.780 -6.681 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.733 -1.289 -8.196 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.527 1.255 -9.782 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.887 0.566 -9.824 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.126 2.265 -9.353 1.00 0.00 H new ATOM 757 N ALA A 53 5.929 1.568 -4.923 1.00 0.00 N ATOM 758 CA ALA A 53 6.086 1.456 -3.483 1.00 0.00 C ATOM 759 C ALA A 53 4.758 1.020 -2.862 1.00 0.00 C ATOM 760 O ALA A 53 4.741 0.274 -1.884 1.00 0.00 O ATOM 761 CB ALA A 53 6.584 2.788 -2.918 1.00 0.00 C ATOM 0 H ALA A 53 6.226 2.461 -5.316 1.00 0.00 H new ATOM 0 HA ALA A 53 6.830 0.699 -3.236 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.702 2.704 -1.838 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.544 3.038 -3.369 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.861 3.572 -3.144 1.00 0.00 H new ATOM 767 N LEU A 54 3.676 1.504 -3.455 1.00 0.00 N ATOM 768 CA LEU A 54 2.347 1.173 -2.972 1.00 0.00 C ATOM 769 C LEU A 54 2.077 -0.314 -3.211 1.00 0.00 C ATOM 770 O LEU A 54 1.356 -0.949 -2.443 1.00 0.00 O ATOM 771 CB LEU A 54 1.302 2.097 -3.603 1.00 0.00 C ATOM 772 CG LEU A 54 0.374 1.453 -4.635 1.00 0.00 C ATOM 773 CD1 LEU A 54 -0.843 0.820 -3.958 1.00 0.00 C ATOM 774 CD2 LEU A 54 -0.029 2.461 -5.713 1.00 0.00 C ATOM 0 H LEU A 54 3.693 2.123 -4.266 1.00 0.00 H new ATOM 0 HA LEU A 54 2.280 1.341 -1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.690 2.518 -2.806 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.821 2.929 -4.079 1.00 0.00 H new ATOM 0 HG LEU A 54 0.919 0.651 -5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.486 0.369 -4.714 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.512 0.052 -3.259 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.399 1.587 -3.419 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.688 1.978 -6.434 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.549 3.300 -5.251 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.863 2.824 -6.223 1.00 0.00 H new ATOM 786 N VAL A 55 2.671 -0.826 -4.279 1.00 0.00 N ATOM 787 CA VAL A 55 2.504 -2.226 -4.628 1.00 0.00 C ATOM 788 C VAL A 55 3.306 -3.090 -3.653 1.00 0.00 C ATOM 789 O VAL A 55 2.966 -4.250 -3.421 1.00 0.00 O ATOM 790 CB VAL A 55 2.898 -2.452 -6.089 1.00 0.00 C ATOM 791 CG1 VAL A 55 3.381 -3.886 -6.312 1.00 0.00 C ATOM 792 CG2 VAL A 55 1.739 -2.111 -7.029 1.00 0.00 C ATOM 0 H VAL A 55 3.268 -0.296 -4.914 1.00 0.00 H new ATOM 0 HA VAL A 55 1.458 -2.519 -4.538 1.00 0.00 H new ATOM 0 HB VAL A 55 3.725 -1.781 -6.320 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.655 -4.019 -7.359 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.250 -4.079 -5.682 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.584 -4.583 -6.054 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.046 -2.280 -8.061 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.883 -2.745 -6.796 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.462 -1.065 -6.900 1.00 0.00 H new ATOM 802 N GLU A 56 4.355 -2.492 -3.108 1.00 0.00 N ATOM 803 CA GLU A 56 5.208 -3.193 -2.163 1.00 0.00 C ATOM 804 C GLU A 56 4.501 -3.333 -0.813 1.00 0.00 C ATOM 805 O GLU A 56 5.033 -3.950 0.109 1.00 0.00 O ATOM 806 CB GLU A 56 6.553 -2.481 -2.006 1.00 0.00 C ATOM 807 CG GLU A 56 7.380 -2.584 -3.289 1.00 0.00 C ATOM 808 CD GLU A 56 8.802 -2.065 -3.068 1.00 0.00 C ATOM 809 OE1 GLU A 56 8.966 -0.826 -3.100 1.00 0.00 O ATOM 810 OE2 GLU A 56 9.694 -2.919 -2.872 1.00 0.00 O ATOM 0 H GLU A 56 4.634 -1.530 -3.303 1.00 0.00 H new ATOM 0 HA GLU A 56 5.406 -4.191 -2.553 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.387 -1.432 -1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.106 -2.920 -1.176 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.415 -3.622 -3.621 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.899 -2.012 -4.083 1.00 0.00 H new ATOM 817 N ALA A 57 3.314 -2.749 -0.739 1.00 0.00 N ATOM 818 CA ALA A 57 2.530 -2.801 0.483 1.00 0.00 C ATOM 819 C ALA A 57 1.642 -4.047 0.462 1.00 0.00 C ATOM 820 O ALA A 57 1.075 -4.427 1.485 1.00 0.00 O ATOM 821 CB ALA A 57 1.719 -1.511 0.625 1.00 0.00 C ATOM 0 H ALA A 57 2.876 -2.238 -1.505 1.00 0.00 H new ATOM 0 HA ALA A 57 3.182 -2.875 1.354 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.131 -1.550 1.542 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.396 -0.658 0.664 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.051 -1.405 -0.230 1.00 0.00 H new ATOM 827 N LEU A 58 1.549 -4.648 -0.715 1.00 0.00 N ATOM 828 CA LEU A 58 0.740 -5.844 -0.883 1.00 0.00 C ATOM 829 C LEU A 58 1.454 -7.032 -0.235 1.00 0.00 C ATOM 830 O LEU A 58 0.877 -7.729 0.598 1.00 0.00 O ATOM 831 CB LEU A 58 0.403 -6.059 -2.359 1.00 0.00 C ATOM 832 CG LEU A 58 -1.068 -6.340 -2.677 1.00 0.00 C ATOM 833 CD1 LEU A 58 -1.987 -5.411 -1.882 1.00 0.00 C ATOM 834 CD2 LEU A 58 -1.329 -6.255 -4.182 1.00 0.00 C ATOM 0 H LEU A 58 2.020 -4.329 -1.562 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.218 -5.732 -0.375 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.712 -5.173 -2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.000 -6.892 -2.730 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.296 -7.360 -2.368 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.026 -5.631 -2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.825 -5.564 -0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.766 -4.375 -2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.381 -6.459 -4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.079 -5.256 -4.539 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.713 -6.990 -4.700 1.00 0.00 H new ATOM 846 N PRO A 59 2.732 -7.233 -0.655 1.00 0.00 N ATOM 847 CA PRO A 59 3.531 -8.325 -0.125 1.00 0.00 C ATOM 848 C PRO A 59 4.009 -8.016 1.295 1.00 0.00 C ATOM 849 O PRO A 59 4.114 -8.916 2.128 1.00 0.00 O ATOM 850 CB PRO A 59 4.674 -8.492 -1.113 1.00 0.00 C ATOM 851 CG PRO A 59 4.734 -7.195 -1.903 1.00 0.00 C ATOM 852 CD PRO A 59 3.448 -6.429 -1.641 1.00 0.00 C ATOM 0 HA PRO A 59 2.966 -9.252 -0.030 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.615 -8.677 -0.594 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.500 -9.343 -1.772 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.599 -6.604 -1.601 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.845 -7.401 -2.968 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.654 -5.428 -1.262 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.865 -6.310 -2.554 1.00 0.00 H new ATOM 860 N ILE A 60 4.285 -6.742 1.528 1.00 0.00 N ATOM 861 CA ILE A 60 4.749 -6.303 2.833 1.00 0.00 C ATOM 862 C ILE A 60 3.688 -6.634 3.885 1.00 0.00 C ATOM 863 O ILE A 60 3.969 -7.334 4.857 1.00 0.00 O ATOM 864 CB ILE A 60 5.136 -4.823 2.795 1.00 0.00 C ATOM 865 CG1 ILE A 60 6.511 -4.633 2.152 1.00 0.00 C ATOM 866 CG2 ILE A 60 5.065 -4.201 4.191 1.00 0.00 C ATOM 867 CD1 ILE A 60 6.836 -3.148 1.982 1.00 0.00 C ATOM 0 H ILE A 60 4.196 -5.999 0.835 1.00 0.00 H new ATOM 0 HA ILE A 60 5.656 -6.839 3.114 1.00 0.00 H new ATOM 0 HB ILE A 60 4.413 -4.297 2.172 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.274 -5.108 2.769 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.534 -5.127 1.181 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.345 -3.149 4.135 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.049 -4.286 4.576 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.751 -4.724 4.858 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.819 -3.041 1.523 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.085 -2.682 1.344 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.836 -2.662 2.957 1.00 0.00 H new ATOM 879 N ILE A 61 2.491 -6.115 3.655 1.00 0.00 N ATOM 880 CA ILE A 61 1.386 -6.346 4.571 1.00 0.00 C ATOM 881 C ILE A 61 1.035 -7.835 4.573 1.00 0.00 C ATOM 882 O ILE A 61 0.823 -8.425 5.631 1.00 0.00 O ATOM 883 CB ILE A 61 0.205 -5.436 4.226 1.00 0.00 C ATOM 884 CG1 ILE A 61 0.643 -3.972 4.157 1.00 0.00 C ATOM 885 CG2 ILE A 61 -0.950 -5.643 5.208 1.00 0.00 C ATOM 886 CD1 ILE A 61 0.730 -3.358 5.556 1.00 0.00 C ATOM 0 H ILE A 61 2.262 -5.535 2.848 1.00 0.00 H new ATOM 0 HA ILE A 61 1.673 -6.084 5.589 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.160 -5.710 3.236 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.613 -3.902 3.664 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.064 -3.406 3.551 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.777 -4.985 4.941 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.283 -6.680 5.165 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.614 -5.412 6.219 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.043 -2.317 5.478 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.247 -3.408 6.036 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.456 -3.912 6.152 1.00 0.00 H new ATOM 898 N GLY A 62 0.984 -8.400 3.376 1.00 0.00 N ATOM 899 CA GLY A 62 0.662 -9.809 3.226 1.00 0.00 C ATOM 900 C GLY A 62 1.567 -10.675 4.105 1.00 0.00 C ATOM 901 O GLY A 62 1.125 -11.683 4.654 1.00 0.00 O ATOM 0 H GLY A 62 1.160 -7.907 2.500 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.381 -9.978 3.494 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.774 -10.102 2.182 1.00 0.00 H new ATOM 905 N VAL A 63 2.817 -10.249 4.212 1.00 0.00 N ATOM 906 CA VAL A 63 3.788 -10.972 5.015 1.00 0.00 C ATOM 907 C VAL A 63 3.477 -10.761 6.498 1.00 0.00 C ATOM 908 O VAL A 63 3.678 -11.660 7.312 1.00 0.00 O ATOM 909 CB VAL A 63 5.206 -10.542 4.634 1.00 0.00 C ATOM 910 CG1 VAL A 63 6.242 -11.197 5.550 1.00 0.00 C ATOM 911 CG2 VAL A 63 5.498 -10.853 3.165 1.00 0.00 C ATOM 0 H VAL A 63 3.180 -9.412 3.756 1.00 0.00 H new ATOM 0 HA VAL A 63 3.724 -12.042 4.819 1.00 0.00 H new ATOM 0 HB VAL A 63 5.276 -9.462 4.767 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.241 -10.875 5.258 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.053 -10.902 6.582 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.171 -12.281 5.463 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.512 -10.537 2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.401 -11.925 2.994 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.789 -10.319 2.532 1.00 0.00 H new ATOM 921 N VAL A 64 2.991 -9.567 6.803 1.00 0.00 N ATOM 922 CA VAL A 64 2.649 -9.225 8.173 1.00 0.00 C ATOM 923 C VAL A 64 1.569 -10.184 8.679 1.00 0.00 C ATOM 924 O VAL A 64 1.732 -10.812 9.724 1.00 0.00 O ATOM 925 CB VAL A 64 2.232 -7.756 8.258 1.00 0.00 C ATOM 926 CG1 VAL A 64 1.702 -7.416 9.653 1.00 0.00 C ATOM 927 CG2 VAL A 64 3.390 -6.834 7.871 1.00 0.00 C ATOM 0 H VAL A 64 2.826 -8.824 6.124 1.00 0.00 H new ATOM 0 HA VAL A 64 3.516 -9.340 8.823 1.00 0.00 H new ATOM 0 HB VAL A 64 1.424 -7.595 7.545 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.413 -6.366 9.686 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.835 -8.038 9.875 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.480 -7.601 10.393 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.067 -5.795 7.940 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.228 -6.999 8.548 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.701 -7.050 6.849 1.00 0.00 H new ATOM 937 N PHE A 65 0.491 -10.266 7.914 1.00 0.00 N ATOM 938 CA PHE A 65 -0.616 -11.138 8.271 1.00 0.00 C ATOM 939 C PHE A 65 -0.126 -12.561 8.546 1.00 0.00 C ATOM 940 O PHE A 65 -0.502 -13.169 9.547 1.00 0.00 O ATOM 941 CB PHE A 65 -1.571 -11.161 7.076 1.00 0.00 C ATOM 942 CG PHE A 65 -1.950 -12.568 6.611 1.00 0.00 C ATOM 943 CD1 PHE A 65 -2.560 -13.428 7.471 1.00 0.00 C ATOM 944 CD2 PHE A 65 -1.678 -12.960 5.337 1.00 0.00 C ATOM 945 CE1 PHE A 65 -2.912 -14.734 7.039 1.00 0.00 C ATOM 946 CE2 PHE A 65 -2.030 -14.266 4.905 1.00 0.00 C ATOM 947 CZ PHE A 65 -2.640 -15.125 5.765 1.00 0.00 C ATOM 0 H PHE A 65 0.360 -9.743 7.048 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.104 -10.770 9.174 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.479 -10.619 7.339 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.110 -10.626 6.245 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.776 -13.117 8.482 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.194 -12.278 4.654 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.396 -15.417 7.722 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.813 -14.577 3.894 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.909 -16.118 5.436 1.00 0.00 H new ATOM 957 N SER A 66 0.706 -13.052 7.639 1.00 0.00 N ATOM 958 CA SER A 66 1.251 -14.392 7.771 1.00 0.00 C ATOM 959 C SER A 66 2.063 -14.502 9.063 1.00 0.00 C ATOM 960 O SER A 66 2.074 -15.551 9.705 1.00 0.00 O ATOM 961 CB SER A 66 2.121 -14.754 6.565 1.00 0.00 C ATOM 962 OG SER A 66 3.425 -14.188 6.658 1.00 0.00 O ATOM 0 H SER A 66 1.016 -12.545 6.810 1.00 0.00 H new ATOM 0 HA SER A 66 0.420 -15.097 7.810 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.201 -15.838 6.488 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.639 -14.405 5.652 1.00 0.00 H new ATOM 0 HG SER A 66 3.360 -13.272 7.000 1.00 0.00 H new ATOM 968 N PHE A 67 2.723 -13.405 9.404 1.00 0.00 N ATOM 969 CA PHE A 67 3.536 -13.365 10.608 1.00 0.00 C ATOM 970 C PHE A 67 2.660 -13.380 11.862 1.00 0.00 C ATOM 971 O PHE A 67 3.039 -13.954 12.882 1.00 0.00 O ATOM 972 CB PHE A 67 4.329 -12.057 10.569 1.00 0.00 C ATOM 973 CG PHE A 67 5.792 -12.229 10.156 1.00 0.00 C ATOM 974 CD1 PHE A 67 6.543 -13.219 10.709 1.00 0.00 C ATOM 975 CD2 PHE A 67 6.342 -11.391 9.236 1.00 0.00 C ATOM 976 CE1 PHE A 67 7.902 -13.378 10.325 1.00 0.00 C ATOM 977 CE2 PHE A 67 7.700 -11.550 8.853 1.00 0.00 C ATOM 978 CZ PHE A 67 8.451 -12.540 9.406 1.00 0.00 C ATOM 0 H PHE A 67 2.711 -12.537 8.868 1.00 0.00 H new ATOM 0 HA PHE A 67 4.190 -14.236 10.644 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.844 -11.371 9.875 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.292 -11.592 11.554 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.107 -13.884 11.440 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.746 -10.605 8.797 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.499 -14.164 10.763 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.137 -10.885 8.123 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.484 -12.660 9.115 1.00 0.00 H new ATOM 988 N ILE A 68 1.505 -12.741 11.746 1.00 0.00 N ATOM 989 CA ILE A 68 0.572 -12.673 12.857 1.00 0.00 C ATOM 990 C ILE A 68 0.249 -14.090 13.334 1.00 0.00 C ATOM 991 O ILE A 68 0.430 -14.411 14.508 1.00 0.00 O ATOM 992 CB ILE A 68 -0.664 -11.858 12.471 1.00 0.00 C ATOM 993 CG1 ILE A 68 -0.478 -10.380 12.821 1.00 0.00 C ATOM 994 CG2 ILE A 68 -1.927 -12.443 13.105 1.00 0.00 C ATOM 995 CD1 ILE A 68 0.722 -9.787 12.080 1.00 0.00 C ATOM 0 H ILE A 68 1.194 -12.266 10.899 1.00 0.00 H new ATOM 0 HA ILE A 68 1.022 -12.147 13.699 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.789 -11.919 11.390 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.380 -9.825 12.562 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.335 -10.273 13.896 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.791 -11.845 12.814 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.064 -13.469 12.763 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.827 -12.433 14.190 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.831 -8.736 12.347 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.626 -10.328 12.359 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.565 -9.874 11.005 1.00 0.00 H new ATOM 1007 N TYR A 69 -0.223 -14.902 12.399 1.00 0.00 N ATOM 1008 CA TYR A 69 -0.573 -16.277 12.709 1.00 0.00 C ATOM 1009 C TYR A 69 0.535 -16.957 13.516 1.00 0.00 C ATOM 1010 O TYR A 69 0.265 -17.605 14.526 1.00 0.00 O ATOM 1011 CB TYR A 69 -0.717 -16.990 11.362 1.00 0.00 C ATOM 1012 CG TYR A 69 -1.525 -18.287 11.428 1.00 0.00 C ATOM 1013 CD1 TYR A 69 -2.751 -18.305 12.060 1.00 0.00 C ATOM 1014 CD2 TYR A 69 -1.027 -19.439 10.854 1.00 0.00 C ATOM 1015 CE1 TYR A 69 -3.512 -19.526 12.122 1.00 0.00 C ATOM 1016 CE2 TYR A 69 -1.788 -20.661 10.915 1.00 0.00 C ATOM 1017 CZ TYR A 69 -2.993 -20.644 11.546 1.00 0.00 C ATOM 1018 OH TYR A 69 -3.711 -21.797 11.604 1.00 0.00 O ATOM 0 H TYR A 69 -0.371 -14.633 11.426 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.486 -16.315 13.302 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.194 -16.313 10.653 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.276 -17.212 10.972 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -3.140 -17.403 12.509 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.067 -19.425 10.359 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -4.473 -19.554 12.614 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.410 -21.570 10.470 1.00 0.00 H new ATOM 0 HH TYR A 69 -3.218 -22.512 11.151 1.00 0.00 H new ATOM 1028 N LEU A 70 1.760 -16.785 13.040 1.00 0.00 N ATOM 1029 CA LEU A 70 2.910 -17.373 13.704 1.00 0.00 C ATOM 1030 C LEU A 70 2.895 -16.982 15.184 1.00 0.00 C ATOM 1031 O LEU A 70 3.507 -17.653 16.013 1.00 0.00 O ATOM 1032 CB LEU A 70 4.202 -16.988 12.981 1.00 0.00 C ATOM 1033 CG LEU A 70 4.649 -17.929 11.860 1.00 0.00 C ATOM 1034 CD1 LEU A 70 4.582 -19.389 12.311 1.00 0.00 C ATOM 1035 CD2 LEU A 70 3.841 -17.686 10.584 1.00 0.00 C ATOM 0 H LEU A 70 1.980 -16.247 12.202 1.00 0.00 H new ATOM 0 HA LEU A 70 2.859 -18.461 13.660 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.077 -15.990 12.562 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.003 -16.926 13.718 1.00 0.00 H new ATOM 0 HG LEU A 70 5.691 -17.711 11.627 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.905 -20.037 11.496 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.236 -19.535 13.171 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.558 -19.638 12.588 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.179 -18.368 9.804 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.784 -17.859 10.784 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.984 -16.657 10.253 1.00 0.00 H new ATOM 1047 N GLY A 71 2.188 -15.898 15.469 1.00 0.00 N ATOM 1048 CA GLY A 71 2.085 -15.410 16.833 1.00 0.00 C ATOM 1049 C GLY A 71 2.506 -13.942 16.924 1.00 0.00 C ATOM 1050 O GLY A 71 2.499 -13.356 18.006 1.00 0.00 O ATOM 0 H GLY A 71 1.681 -15.344 14.778 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.060 -15.520 17.186 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.714 -16.014 17.487 1.00 0.00 H new ATOM 1054 N ARG A 72 2.864 -13.390 15.774 1.00 0.00 N ATOM 1055 CA ARG A 72 3.287 -12.002 15.710 1.00 0.00 C ATOM 1056 C ARG A 72 2.070 -11.075 15.703 1.00 0.00 C ATOM 1057 O ARG A 72 1.859 -10.315 16.647 1.00 0.00 O ATOM 1058 CB ARG A 72 4.127 -11.739 14.458 1.00 0.00 C ATOM 1059 CG ARG A 72 5.212 -12.805 14.292 1.00 0.00 C ATOM 1060 CD ARG A 72 6.312 -12.636 15.342 1.00 0.00 C ATOM 1061 NE ARG A 72 7.622 -12.458 14.677 1.00 0.00 N ATOM 1062 CZ ARG A 72 8.786 -12.345 15.331 1.00 0.00 C ATOM 1063 NH1 ARG A 72 8.810 -12.391 16.670 1.00 0.00 N ATOM 1064 NH2 ARG A 72 9.927 -12.185 14.646 1.00 0.00 N ATOM 0 H ARG A 72 2.870 -13.879 14.879 1.00 0.00 H new ATOM 0 HA ARG A 72 3.896 -11.801 16.591 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.483 -11.731 13.579 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.588 -10.753 14.525 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.769 -13.797 14.381 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.644 -12.737 13.294 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.095 -11.774 15.973 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.341 -13.509 15.994 1.00 0.00 H new ATOM 0 HE ARG A 72 7.640 -12.419 13.658 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.942 -12.512 17.192 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.696 -12.305 17.167 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.909 -12.149 13.627 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.813 -12.099 15.144 1.00 0.00 H new