USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 479 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 THR OG1 : rot 180:sc= -0.472 USER MOD Set 1.2: A 30 GLN : amide:sc= 0 X(o=-0.47,f=-0.51) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0105) USER MOD Single : A 37 TYR OH : rot -151:sc= -0.0772 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.0661 K(o=-0.066,f=-0.65) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 63:sc= 0.72 USER MOD Single : A 67 SER OG : rot 27:sc= -0.356 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 47:sc= 0.178 USER MOD Single : A 74 SER OG : rot 97:sc= 0.328 USER MOD Single : A 81 ASN : amide:sc= -0.0943 K(o=-0.094,f=0.76) USER MOD Single : A 89 TYR OH : rot 180:sc= -0.0393 USER MOD Single : A 90 LYS NZ :NH3+ 141:sc= -1.36 (180deg=-3.76!) USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 22 1.751 -2.106 -3.211 1.00 0.00 N ATOM 20 CA ALA A 22 1.197 -2.897 -4.321 1.00 0.00 C ATOM 21 C ALA A 22 2.104 -2.739 -5.554 1.00 0.00 C ATOM 22 O ALA A 22 2.288 -1.620 -6.055 1.00 0.00 O ATOM 23 CB ALA A 22 -0.245 -2.469 -4.650 1.00 0.00 C ATOM 0 HA ALA A 22 1.163 -3.945 -4.024 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.625 -3.073 -5.474 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.876 -2.614 -3.773 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.256 -1.417 -4.936 1.00 0.00 H new ATOM 29 N ALA A 23 2.694 -3.853 -6.008 1.00 0.00 N ATOM 30 CA ALA A 23 3.556 -3.875 -7.200 1.00 0.00 C ATOM 31 C ALA A 23 2.720 -3.697 -8.480 1.00 0.00 C ATOM 32 O ALA A 23 1.645 -4.285 -8.611 1.00 0.00 O ATOM 33 CB ALA A 23 4.364 -5.178 -7.257 1.00 0.00 C ATOM 0 H ALA A 23 2.588 -4.764 -5.561 1.00 0.00 H new ATOM 0 HA ALA A 23 4.255 -3.041 -7.132 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.996 -5.176 -8.145 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.989 -5.258 -6.368 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.682 -6.027 -7.299 1.00 0.00 H new ATOM 39 N THR A 24 3.229 -2.873 -9.409 1.00 0.00 N ATOM 40 CA THR A 24 2.568 -2.593 -10.693 1.00 0.00 C ATOM 41 C THR A 24 2.590 -3.847 -11.596 1.00 0.00 C ATOM 42 O THR A 24 3.578 -4.574 -11.606 1.00 0.00 O ATOM 43 CB THR A 24 3.299 -1.405 -11.402 1.00 0.00 C ATOM 44 OG1 THR A 24 3.289 -0.257 -10.535 1.00 0.00 O ATOM 45 CG2 THR A 24 2.663 -1.024 -12.747 1.00 0.00 C ATOM 0 H THR A 24 4.114 -2.380 -9.290 1.00 0.00 H new ATOM 0 HA THR A 24 1.528 -2.322 -10.509 1.00 0.00 H new ATOM 0 HB THR A 24 4.317 -1.734 -11.608 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.748 0.489 -10.975 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.215 -0.194 -13.189 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.695 -1.881 -13.420 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.627 -0.726 -12.588 1.00 0.00 H new ATOM 53 N GLU A 25 1.490 -4.124 -12.318 1.00 0.00 N ATOM 54 CA GLU A 25 1.491 -5.188 -13.333 1.00 0.00 C ATOM 55 C GLU A 25 2.180 -4.658 -14.601 1.00 0.00 C ATOM 56 O GLU A 25 1.851 -3.571 -15.090 1.00 0.00 O ATOM 57 CB GLU A 25 0.058 -5.690 -13.642 1.00 0.00 C ATOM 58 CG GLU A 25 0.012 -6.934 -14.561 1.00 0.00 C ATOM 59 CD GLU A 25 -1.408 -7.487 -14.781 1.00 0.00 C ATOM 60 OE1 GLU A 25 -1.936 -8.184 -13.888 1.00 0.00 O ATOM 61 OE2 GLU A 25 -2.010 -7.220 -15.846 1.00 0.00 O ATOM 0 H GLU A 25 0.602 -3.633 -12.219 1.00 0.00 H new ATOM 0 HA GLU A 25 2.041 -6.046 -12.948 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.444 -5.925 -12.703 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.505 -4.883 -14.111 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.447 -6.678 -15.527 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.635 -7.717 -14.129 1.00 0.00 H new ATOM 68 N LEU A 26 3.142 -5.424 -15.109 1.00 0.00 N ATOM 69 CA LEU A 26 3.986 -5.033 -16.240 1.00 0.00 C ATOM 70 C LEU A 26 3.315 -5.509 -17.532 1.00 0.00 C ATOM 71 O LEU A 26 2.743 -6.611 -17.562 1.00 0.00 O ATOM 72 CB LEU A 26 5.409 -5.660 -16.081 1.00 0.00 C ATOM 73 CG LEU A 26 6.561 -4.964 -16.866 1.00 0.00 C ATOM 74 CD1 LEU A 26 6.741 -3.494 -16.421 1.00 0.00 C ATOM 75 CD2 LEU A 26 7.885 -5.740 -16.725 1.00 0.00 C ATOM 0 H LEU A 26 3.362 -6.350 -14.742 1.00 0.00 H new ATOM 0 HA LEU A 26 4.101 -3.950 -16.274 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.667 -5.659 -15.022 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.361 -6.702 -16.396 1.00 0.00 H new ATOM 0 HG LEU A 26 6.279 -4.964 -17.919 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.553 -3.039 -16.989 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.818 -2.943 -16.602 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.980 -3.462 -15.358 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.668 -5.228 -17.284 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.166 -5.793 -15.673 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.759 -6.749 -17.118 1.00 0.00 H new ATOM 87 N THR A 27 3.365 -4.680 -18.582 1.00 0.00 N ATOM 88 CA THR A 27 2.764 -5.015 -19.878 1.00 0.00 C ATOM 89 C THR A 27 3.560 -6.167 -20.537 1.00 0.00 C ATOM 90 O THR A 27 4.775 -6.251 -20.334 1.00 0.00 O ATOM 91 CB THR A 27 2.721 -3.772 -20.833 1.00 0.00 C ATOM 92 OG1 THR A 27 4.050 -3.416 -21.245 1.00 0.00 O ATOM 93 CG2 THR A 27 2.053 -2.550 -20.165 1.00 0.00 C ATOM 0 H THR A 27 3.819 -3.767 -18.558 1.00 0.00 H new ATOM 0 HA THR A 27 1.736 -5.332 -19.704 1.00 0.00 H new ATOM 0 HB THR A 27 2.123 -4.055 -21.700 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.011 -2.640 -21.842 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.045 -1.713 -20.863 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.029 -2.801 -19.888 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.613 -2.273 -19.272 1.00 0.00 H new ATOM 101 N PRO A 28 2.901 -7.076 -21.333 1.00 0.00 N ATOM 102 CA PRO A 28 3.604 -8.186 -22.038 1.00 0.00 C ATOM 103 C PRO A 28 4.697 -7.706 -23.032 1.00 0.00 C ATOM 104 O PRO A 28 5.469 -8.514 -23.535 1.00 0.00 O ATOM 105 CB PRO A 28 2.453 -8.944 -22.765 1.00 0.00 C ATOM 106 CG PRO A 28 1.325 -7.957 -22.839 1.00 0.00 C ATOM 107 CD PRO A 28 1.430 -7.129 -21.583 1.00 0.00 C ATOM 0 HA PRO A 28 4.162 -8.810 -21.340 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.760 -9.268 -23.759 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.160 -9.838 -22.215 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.408 -7.333 -23.729 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.362 -8.465 -22.895 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.009 -6.133 -21.720 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.896 -7.589 -20.751 1.00 0.00 H new ATOM 115 N GLU A 29 4.737 -6.387 -23.310 1.00 0.00 N ATOM 116 CA GLU A 29 5.771 -5.770 -24.160 1.00 0.00 C ATOM 117 C GLU A 29 7.040 -5.505 -23.343 1.00 0.00 C ATOM 118 O GLU A 29 8.137 -5.924 -23.723 1.00 0.00 O ATOM 119 CB GLU A 29 5.231 -4.452 -24.772 1.00 0.00 C ATOM 120 CG GLU A 29 3.873 -4.600 -25.480 1.00 0.00 C ATOM 121 CD GLU A 29 3.866 -5.685 -26.569 1.00 0.00 C ATOM 122 OE1 GLU A 29 4.434 -5.457 -27.658 1.00 0.00 O ATOM 123 OE2 GLU A 29 3.297 -6.777 -26.336 1.00 0.00 O ATOM 0 H GLU A 29 4.053 -5.721 -22.951 1.00 0.00 H new ATOM 0 HA GLU A 29 6.022 -6.455 -24.970 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.137 -3.708 -23.981 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.961 -4.069 -25.485 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.109 -4.835 -24.739 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.599 -3.645 -25.928 1.00 0.00 H new ATOM 130 N GLN A 30 6.864 -4.804 -22.206 1.00 0.00 N ATOM 131 CA GLN A 30 7.969 -4.477 -21.285 1.00 0.00 C ATOM 132 C GLN A 30 8.580 -5.769 -20.723 1.00 0.00 C ATOM 133 O GLN A 30 9.786 -5.939 -20.723 1.00 0.00 O ATOM 134 CB GLN A 30 7.465 -3.588 -20.123 1.00 0.00 C ATOM 135 CG GLN A 30 6.907 -2.221 -20.551 1.00 0.00 C ATOM 136 CD GLN A 30 6.336 -1.431 -19.377 1.00 0.00 C ATOM 137 OE1 GLN A 30 5.151 -1.541 -19.050 1.00 0.00 O ATOM 138 NE2 GLN A 30 7.167 -0.624 -18.730 1.00 0.00 N ATOM 0 H GLN A 30 5.957 -4.450 -21.902 1.00 0.00 H new ATOM 0 HA GLN A 30 8.730 -3.928 -21.839 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.688 -4.128 -19.582 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.287 -3.427 -19.425 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.699 -1.641 -21.025 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.128 -2.368 -21.299 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.141 -0.554 -19.023 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.831 -0.074 -17.939 1.00 0.00 H new ATOM 147 N ALA A 31 7.702 -6.686 -20.293 1.00 0.00 N ATOM 148 CA ALA A 31 8.083 -7.978 -19.693 1.00 0.00 C ATOM 149 C ALA A 31 8.857 -8.869 -20.681 1.00 0.00 C ATOM 150 O ALA A 31 9.803 -9.565 -20.293 1.00 0.00 O ATOM 151 CB ALA A 31 6.833 -8.694 -19.173 1.00 0.00 C ATOM 0 H ALA A 31 6.693 -6.552 -20.352 1.00 0.00 H new ATOM 0 HA ALA A 31 8.755 -7.778 -18.859 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.118 -9.648 -18.730 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.346 -8.075 -18.419 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.144 -8.869 -19.999 1.00 0.00 H new ATOM 157 N ALA A 32 8.459 -8.817 -21.965 1.00 0.00 N ATOM 158 CA ALA A 32 9.131 -9.565 -23.051 1.00 0.00 C ATOM 159 C ALA A 32 10.543 -9.009 -23.336 1.00 0.00 C ATOM 160 O ALA A 32 11.380 -9.700 -23.926 1.00 0.00 O ATOM 161 CB ALA A 32 8.271 -9.526 -24.325 1.00 0.00 C ATOM 0 H ALA A 32 7.666 -8.259 -22.281 1.00 0.00 H new ATOM 0 HA ALA A 32 9.246 -10.599 -22.727 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.772 -10.079 -25.120 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.301 -9.980 -24.123 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.129 -8.491 -24.637 1.00 0.00 H new ATOM 167 N ALA A 33 10.794 -7.752 -22.922 1.00 0.00 N ATOM 168 CA ALA A 33 12.082 -7.055 -23.149 1.00 0.00 C ATOM 169 C ALA A 33 12.973 -7.053 -21.888 1.00 0.00 C ATOM 170 O ALA A 33 14.205 -7.025 -21.991 1.00 0.00 O ATOM 171 CB ALA A 33 11.807 -5.618 -23.614 1.00 0.00 C ATOM 0 H ALA A 33 10.110 -7.187 -22.419 1.00 0.00 H new ATOM 0 HA ALA A 33 12.628 -7.596 -23.922 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.753 -5.103 -23.782 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.235 -5.639 -24.542 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.237 -5.091 -22.849 1.00 0.00 H new ATOM 177 N LEU A 34 12.342 -7.077 -20.701 1.00 0.00 N ATOM 178 CA LEU A 34 13.037 -6.936 -19.405 1.00 0.00 C ATOM 179 C LEU A 34 13.287 -8.307 -18.761 1.00 0.00 C ATOM 180 O LEU A 34 12.522 -9.258 -18.968 1.00 0.00 O ATOM 181 CB LEU A 34 12.212 -6.034 -18.435 1.00 0.00 C ATOM 182 CG LEU A 34 11.971 -4.553 -18.892 1.00 0.00 C ATOM 183 CD1 LEU A 34 11.104 -3.780 -17.867 1.00 0.00 C ATOM 184 CD2 LEU A 34 13.306 -3.825 -19.159 1.00 0.00 C ATOM 0 H LEU A 34 11.333 -7.195 -20.611 1.00 0.00 H new ATOM 0 HA LEU A 34 14.001 -6.463 -19.594 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.242 -6.504 -18.274 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.720 -6.015 -17.471 1.00 0.00 H new ATOM 0 HG LEU A 34 11.419 -4.585 -19.831 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.956 -2.757 -18.214 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.137 -4.272 -17.764 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.608 -3.766 -16.901 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.105 -2.801 -19.474 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.903 -3.814 -18.247 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.854 -4.346 -19.945 1.00 0.00 H new ATOM 196 N LYS A 35 14.369 -8.380 -17.975 1.00 0.00 N ATOM 197 CA LYS A 35 14.734 -9.565 -17.189 1.00 0.00 C ATOM 198 C LYS A 35 14.204 -9.397 -15.745 1.00 0.00 C ATOM 199 O LYS A 35 14.445 -8.352 -15.128 1.00 0.00 O ATOM 200 CB LYS A 35 16.284 -9.755 -17.181 1.00 0.00 C ATOM 201 CG LYS A 35 16.788 -10.995 -16.398 1.00 0.00 C ATOM 202 CD LYS A 35 16.300 -12.339 -16.995 1.00 0.00 C ATOM 203 CE LYS A 35 16.724 -13.557 -16.156 1.00 0.00 C ATOM 204 NZ LYS A 35 18.201 -13.702 -16.092 1.00 0.00 N ATOM 0 H LYS A 35 15.025 -7.606 -17.866 1.00 0.00 H new ATOM 0 HA LYS A 35 14.286 -10.451 -17.639 1.00 0.00 H new ATOM 0 HB2 LYS A 35 16.631 -9.829 -18.212 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.742 -8.863 -16.753 1.00 0.00 H new ATOM 0 HG2 LYS A 35 17.878 -10.987 -16.382 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.454 -10.923 -15.363 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.213 -12.321 -17.076 1.00 0.00 H new ATOM 0 HD3 LYS A 35 16.694 -12.446 -18.006 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.325 -13.458 -15.146 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.289 -14.461 -16.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.443 -14.553 -15.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 18.583 -13.788 -17.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 18.612 -12.866 -15.630 1.00 0.00 H new ATOM 218 N PRO A 36 13.441 -10.402 -15.195 1.00 0.00 N ATOM 219 CA PRO A 36 13.040 -10.425 -13.773 1.00 0.00 C ATOM 220 C PRO A 36 14.210 -10.876 -12.874 1.00 0.00 C ATOM 221 O PRO A 36 15.147 -11.533 -13.351 1.00 0.00 O ATOM 222 CB PRO A 36 11.857 -11.435 -13.724 1.00 0.00 C ATOM 223 CG PRO A 36 11.658 -11.912 -15.143 1.00 0.00 C ATOM 224 CD PRO A 36 12.907 -11.582 -15.907 1.00 0.00 C ATOM 0 HA PRO A 36 12.753 -9.441 -13.403 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.083 -12.269 -13.060 1.00 0.00 H new ATOM 0 HB3 PRO A 36 10.954 -10.960 -13.342 1.00 0.00 H new ATOM 0 HG2 PRO A 36 11.468 -12.985 -15.164 1.00 0.00 H new ATOM 0 HG3 PRO A 36 10.793 -11.426 -15.594 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.615 -12.411 -15.898 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.692 -11.358 -16.952 1.00 0.00 H new ATOM 232 N TYR A 37 14.164 -10.513 -11.582 1.00 0.00 N ATOM 233 CA TYR A 37 15.194 -10.937 -10.608 1.00 0.00 C ATOM 234 C TYR A 37 14.794 -12.266 -9.942 1.00 0.00 C ATOM 235 O TYR A 37 15.650 -13.091 -9.607 1.00 0.00 O ATOM 236 CB TYR A 37 15.483 -9.827 -9.555 1.00 0.00 C ATOM 237 CG TYR A 37 14.358 -9.529 -8.544 1.00 0.00 C ATOM 238 CD1 TYR A 37 13.291 -8.701 -8.871 1.00 0.00 C ATOM 239 CD2 TYR A 37 14.385 -10.055 -7.250 1.00 0.00 C ATOM 240 CE1 TYR A 37 12.299 -8.410 -7.954 1.00 0.00 C ATOM 241 CE2 TYR A 37 13.393 -9.774 -6.338 1.00 0.00 C ATOM 242 CZ TYR A 37 12.357 -8.952 -6.690 1.00 0.00 C ATOM 243 OH TYR A 37 11.371 -8.678 -5.776 1.00 0.00 O ATOM 0 H TYR A 37 13.429 -9.929 -11.184 1.00 0.00 H new ATOM 0 HA TYR A 37 16.124 -11.101 -11.152 1.00 0.00 H new ATOM 0 HB2 TYR A 37 16.376 -10.109 -8.998 1.00 0.00 H new ATOM 0 HB3 TYR A 37 15.717 -8.905 -10.087 1.00 0.00 H new ATOM 0 HD1 TYR A 37 13.236 -8.276 -9.862 1.00 0.00 H new ATOM 0 HD2 TYR A 37 15.203 -10.697 -6.958 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.481 -7.760 -8.228 1.00 0.00 H new ATOM 0 HE2 TYR A 37 13.432 -10.201 -5.347 1.00 0.00 H new ATOM 0 HH TYR A 37 11.744 -8.719 -4.871 1.00 0.00 H new ATOM 253 N ASP A 38 13.473 -12.465 -9.769 1.00 0.00 N ATOM 254 CA ASP A 38 12.890 -13.698 -9.201 1.00 0.00 C ATOM 255 C ASP A 38 11.542 -14.000 -9.863 1.00 0.00 C ATOM 256 O ASP A 38 11.133 -13.319 -10.810 1.00 0.00 O ATOM 257 CB ASP A 38 12.724 -13.594 -7.645 1.00 0.00 C ATOM 258 CG ASP A 38 14.005 -13.939 -6.871 1.00 0.00 C ATOM 259 OD1 ASP A 38 14.436 -15.108 -6.931 1.00 0.00 O ATOM 260 OD2 ASP A 38 14.590 -13.061 -6.207 1.00 0.00 O ATOM 0 H ASP A 38 12.773 -11.768 -10.022 1.00 0.00 H new ATOM 0 HA ASP A 38 13.579 -14.518 -9.406 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.414 -12.581 -7.387 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.925 -14.263 -7.327 1.00 0.00 H new ATOM 265 N ARG A 39 10.875 -15.040 -9.348 1.00 0.00 N ATOM 266 CA ARG A 39 9.541 -15.458 -9.785 1.00 0.00 C ATOM 267 C ARG A 39 8.806 -16.084 -8.592 1.00 0.00 C ATOM 268 O ARG A 39 9.353 -16.961 -7.918 1.00 0.00 O ATOM 269 CB ARG A 39 9.651 -16.470 -10.957 1.00 0.00 C ATOM 270 CG ARG A 39 8.298 -16.885 -11.577 1.00 0.00 C ATOM 271 CD ARG A 39 8.445 -17.881 -12.738 1.00 0.00 C ATOM 272 NE ARG A 39 8.907 -19.204 -12.286 1.00 0.00 N ATOM 273 CZ ARG A 39 9.186 -20.243 -13.078 1.00 0.00 C ATOM 274 NH1 ARG A 39 9.179 -20.125 -14.399 1.00 0.00 N ATOM 275 NH2 ARG A 39 9.519 -21.396 -12.535 1.00 0.00 N ATOM 0 H ARG A 39 11.255 -15.624 -8.603 1.00 0.00 H new ATOM 0 HA ARG A 39 8.980 -14.594 -10.143 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.275 -16.035 -11.738 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.162 -17.364 -10.601 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.672 -17.329 -10.803 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.781 -15.994 -11.934 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.486 -17.988 -13.246 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.150 -17.483 -13.468 1.00 0.00 H new ATOM 0 HE ARG A 39 9.024 -19.339 -11.282 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.957 -19.227 -14.830 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.395 -20.932 -14.984 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.562 -21.488 -11.520 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.734 -22.196 -13.129 1.00 0.00 H new ATOM 289 N ILE A 40 7.577 -15.615 -8.327 1.00 0.00 N ATOM 290 CA ILE A 40 6.735 -16.120 -7.226 1.00 0.00 C ATOM 291 C ILE A 40 5.544 -16.930 -7.770 1.00 0.00 C ATOM 292 O ILE A 40 5.043 -16.663 -8.866 1.00 0.00 O ATOM 293 CB ILE A 40 6.214 -14.944 -6.311 1.00 0.00 C ATOM 294 CG1 ILE A 40 5.394 -13.897 -7.139 1.00 0.00 C ATOM 295 CG2 ILE A 40 7.394 -14.270 -5.565 1.00 0.00 C ATOM 296 CD1 ILE A 40 4.872 -12.714 -6.340 1.00 0.00 C ATOM 0 H ILE A 40 7.136 -14.873 -8.870 1.00 0.00 H new ATOM 0 HA ILE A 40 7.358 -16.776 -6.618 1.00 0.00 H new ATOM 0 HB ILE A 40 5.540 -15.369 -5.567 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.023 -13.522 -7.947 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.548 -14.405 -7.603 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.015 -13.462 -4.939 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.898 -15.007 -4.940 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.100 -13.866 -6.291 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.318 -12.046 -6.999 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.213 -13.072 -5.549 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.710 -12.175 -5.898 1.00 0.00 H new ATOM 308 N VAL A 41 5.117 -17.939 -6.990 1.00 0.00 N ATOM 309 CA VAL A 41 3.937 -18.772 -7.288 1.00 0.00 C ATOM 310 C VAL A 41 2.986 -18.718 -6.081 1.00 0.00 C ATOM 311 O VAL A 41 3.385 -19.051 -4.958 1.00 0.00 O ATOM 312 CB VAL A 41 4.323 -20.274 -7.598 1.00 0.00 C ATOM 313 CG1 VAL A 41 3.070 -21.110 -7.970 1.00 0.00 C ATOM 314 CG2 VAL A 41 5.396 -20.360 -8.710 1.00 0.00 C ATOM 0 H VAL A 41 5.587 -18.203 -6.124 1.00 0.00 H new ATOM 0 HA VAL A 41 3.456 -18.376 -8.182 1.00 0.00 H new ATOM 0 HB VAL A 41 4.750 -20.698 -6.689 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.367 -22.138 -8.178 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.364 -21.097 -7.139 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.597 -20.683 -8.855 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.640 -21.405 -8.900 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.011 -19.905 -9.623 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.294 -19.830 -8.391 1.00 0.00 H new ATOM 324 N ILE A 42 1.743 -18.271 -6.318 1.00 0.00 N ATOM 325 CA ILE A 42 0.694 -18.156 -5.284 1.00 0.00 C ATOM 326 C ILE A 42 -0.441 -19.149 -5.593 1.00 0.00 C ATOM 327 O ILE A 42 -0.629 -19.518 -6.743 1.00 0.00 O ATOM 328 CB ILE A 42 0.112 -16.689 -5.220 1.00 0.00 C ATOM 329 CG1 ILE A 42 -0.566 -16.288 -6.576 1.00 0.00 C ATOM 330 CG2 ILE A 42 1.225 -15.672 -4.831 1.00 0.00 C ATOM 331 CD1 ILE A 42 -1.317 -14.970 -6.557 1.00 0.00 C ATOM 0 H ILE A 42 1.431 -17.975 -7.243 1.00 0.00 H new ATOM 0 HA ILE A 42 1.139 -18.388 -4.316 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.656 -16.666 -4.447 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.202 -16.239 -7.348 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.258 -17.078 -6.865 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.803 -14.668 -4.793 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.631 -15.933 -3.853 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.022 -15.703 -5.574 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.749 -14.783 -7.540 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.113 -15.015 -5.814 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.629 -14.163 -6.303 1.00 0.00 H new ATOM 343 N THR A 43 -1.190 -19.580 -4.566 1.00 0.00 N ATOM 344 CA THR A 43 -2.370 -20.465 -4.731 1.00 0.00 C ATOM 345 C THR A 43 -3.659 -19.709 -4.350 1.00 0.00 C ATOM 346 O THR A 43 -3.617 -18.764 -3.544 1.00 0.00 O ATOM 347 CB THR A 43 -2.219 -21.763 -3.865 1.00 0.00 C ATOM 348 OG1 THR A 43 -1.837 -21.418 -2.516 1.00 0.00 O ATOM 349 CG2 THR A 43 -1.188 -22.742 -4.469 1.00 0.00 C ATOM 0 H THR A 43 -1.001 -19.329 -3.596 1.00 0.00 H new ATOM 0 HA THR A 43 -2.434 -20.762 -5.778 1.00 0.00 H new ATOM 0 HB THR A 43 -3.187 -22.265 -3.854 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.747 -22.235 -1.982 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.114 -23.628 -3.838 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.507 -23.035 -5.469 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.214 -22.255 -4.526 1.00 0.00 H new ATOM 357 N GLY A 44 -4.806 -20.122 -4.937 1.00 0.00 N ATOM 358 CA GLY A 44 -6.093 -19.494 -4.650 1.00 0.00 C ATOM 359 C GLY A 44 -7.282 -20.369 -5.044 1.00 0.00 C ATOM 360 O GLY A 44 -7.705 -20.363 -6.206 1.00 0.00 O ATOM 0 H GLY A 44 -4.855 -20.887 -5.610 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.152 -19.268 -3.585 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.155 -18.544 -5.182 1.00 0.00 H new ATOM 364 N ARG A 45 -7.842 -21.105 -4.058 1.00 0.00 N ATOM 365 CA ARG A 45 -9.021 -21.985 -4.269 1.00 0.00 C ATOM 366 C ARG A 45 -10.314 -21.235 -3.848 1.00 0.00 C ATOM 367 O ARG A 45 -11.210 -21.773 -3.180 1.00 0.00 O ATOM 368 CB ARG A 45 -8.821 -23.325 -3.492 1.00 0.00 C ATOM 369 CG ARG A 45 -9.827 -24.438 -3.867 1.00 0.00 C ATOM 370 CD ARG A 45 -9.515 -25.774 -3.186 1.00 0.00 C ATOM 371 NE ARG A 45 -10.374 -26.863 -3.695 1.00 0.00 N ATOM 372 CZ ARG A 45 -10.051 -28.164 -3.698 1.00 0.00 C ATOM 373 NH1 ARG A 45 -8.882 -28.580 -3.209 1.00 0.00 N ATOM 374 NH2 ARG A 45 -10.894 -29.048 -4.189 1.00 0.00 N ATOM 0 H ARG A 45 -7.495 -21.109 -3.099 1.00 0.00 H new ATOM 0 HA ARG A 45 -9.124 -22.237 -5.325 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.810 -23.689 -3.675 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.900 -23.126 -2.423 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.833 -24.121 -3.591 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.822 -24.577 -4.948 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.468 -26.030 -3.350 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.654 -25.674 -2.109 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.285 -26.604 -4.074 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.220 -27.905 -2.826 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.650 -29.573 -3.218 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -11.791 -28.743 -4.566 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.650 -30.038 -4.192 1.00 0.00 H new ATOM 388 N PHE A 46 -10.387 -19.986 -4.318 1.00 0.00 N ATOM 389 CA PHE A 46 -11.465 -19.024 -4.015 1.00 0.00 C ATOM 390 C PHE A 46 -11.190 -17.743 -4.818 1.00 0.00 C ATOM 391 O PHE A 46 -12.113 -17.127 -5.368 1.00 0.00 O ATOM 392 CB PHE A 46 -11.548 -18.718 -2.485 1.00 0.00 C ATOM 393 CG PHE A 46 -12.597 -17.674 -2.084 1.00 0.00 C ATOM 394 CD1 PHE A 46 -13.947 -18.010 -1.986 1.00 0.00 C ATOM 395 CD2 PHE A 46 -12.227 -16.355 -1.801 1.00 0.00 C ATOM 396 CE1 PHE A 46 -14.889 -17.062 -1.620 1.00 0.00 C ATOM 397 CE2 PHE A 46 -13.171 -15.411 -1.436 1.00 0.00 C ATOM 398 CZ PHE A 46 -14.502 -15.765 -1.344 1.00 0.00 C ATOM 0 H PHE A 46 -9.677 -19.599 -4.940 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.428 -19.449 -4.298 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -11.762 -19.647 -1.956 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.570 -18.376 -2.146 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -14.262 -19.021 -2.198 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -11.188 -16.069 -1.868 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -15.931 -17.338 -1.550 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -12.866 -14.397 -1.223 1.00 0.00 H new ATOM 0 HZ PHE A 46 -15.239 -15.030 -1.057 1.00 0.00 H new ATOM 408 N ASN A 47 -9.894 -17.369 -4.874 1.00 0.00 N ATOM 409 CA ASN A 47 -9.407 -16.204 -5.636 1.00 0.00 C ATOM 410 C ASN A 47 -9.806 -16.282 -7.121 1.00 0.00 C ATOM 411 O ASN A 47 -9.582 -17.305 -7.782 1.00 0.00 O ATOM 412 CB ASN A 47 -7.852 -16.074 -5.527 1.00 0.00 C ATOM 413 CG ASN A 47 -7.350 -15.679 -4.131 1.00 0.00 C ATOM 414 OD1 ASN A 47 -8.030 -14.976 -3.385 1.00 0.00 O ATOM 415 ND2 ASN A 47 -6.141 -16.108 -3.782 1.00 0.00 N ATOM 0 H ASN A 47 -9.152 -17.872 -4.387 1.00 0.00 H new ATOM 0 HA ASN A 47 -9.877 -15.324 -5.197 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -7.399 -17.024 -5.808 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -7.509 -15.332 -6.248 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -5.753 -15.855 -2.873 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -5.602 -16.690 -4.423 1.00 0.00 H new ATOM 422 N ALA A 48 -10.442 -15.204 -7.608 1.00 0.00 N ATOM 423 CA ALA A 48 -10.682 -14.986 -9.046 1.00 0.00 C ATOM 424 C ALA A 48 -9.424 -14.361 -9.682 1.00 0.00 C ATOM 425 O ALA A 48 -8.412 -14.200 -8.996 1.00 0.00 O ATOM 426 CB ALA A 48 -11.914 -14.094 -9.243 1.00 0.00 C ATOM 0 H ALA A 48 -10.805 -14.457 -7.016 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.881 -15.938 -9.539 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.084 -13.938 -10.308 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -12.787 -14.577 -8.803 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -11.748 -13.132 -8.758 1.00 0.00 H new ATOM 432 N ILE A 49 -9.477 -14.004 -10.984 1.00 0.00 N ATOM 433 CA ILE A 49 -8.318 -13.414 -11.694 1.00 0.00 C ATOM 434 C ILE A 49 -7.932 -12.052 -11.064 1.00 0.00 C ATOM 435 O ILE A 49 -6.752 -11.731 -10.958 1.00 0.00 O ATOM 436 CB ILE A 49 -8.575 -13.281 -13.250 1.00 0.00 C ATOM 437 CG1 ILE A 49 -7.288 -12.804 -14.018 1.00 0.00 C ATOM 438 CG2 ILE A 49 -9.774 -12.351 -13.547 1.00 0.00 C ATOM 439 CD1 ILE A 49 -6.091 -13.748 -13.917 1.00 0.00 C ATOM 0 H ILE A 49 -10.308 -14.113 -11.565 1.00 0.00 H new ATOM 0 HA ILE A 49 -7.477 -14.097 -11.576 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.824 -14.277 -13.617 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.539 -12.671 -15.070 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.995 -11.827 -13.634 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -9.923 -12.282 -14.625 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -10.673 -12.756 -13.082 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.573 -11.358 -13.144 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.253 -13.334 -14.478 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.806 -13.864 -12.871 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.359 -14.721 -14.330 1.00 0.00 H new ATOM 451 N GLY A 50 -8.947 -11.304 -10.592 1.00 0.00 N ATOM 452 CA GLY A 50 -8.738 -10.021 -9.911 1.00 0.00 C ATOM 453 C GLY A 50 -8.065 -10.191 -8.551 1.00 0.00 C ATOM 454 O GLY A 50 -7.103 -9.485 -8.234 1.00 0.00 O ATOM 0 H GLY A 50 -9.927 -11.573 -10.673 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -8.125 -9.374 -10.539 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.698 -9.521 -9.779 1.00 0.00 H new ATOM 458 N ASP A 51 -8.567 -11.169 -7.764 1.00 0.00 N ATOM 459 CA ASP A 51 -8.034 -11.497 -6.413 1.00 0.00 C ATOM 460 C ASP A 51 -6.621 -12.083 -6.508 1.00 0.00 C ATOM 461 O ASP A 51 -5.805 -11.924 -5.597 1.00 0.00 O ATOM 462 CB ASP A 51 -8.934 -12.522 -5.687 1.00 0.00 C ATOM 463 CG ASP A 51 -10.373 -12.049 -5.514 1.00 0.00 C ATOM 464 OD1 ASP A 51 -11.194 -12.273 -6.428 1.00 0.00 O ATOM 465 OD2 ASP A 51 -10.697 -11.452 -4.468 1.00 0.00 O ATOM 0 H ASP A 51 -9.353 -11.756 -8.043 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.013 -10.565 -5.849 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.932 -13.457 -6.247 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.510 -12.737 -4.706 1.00 0.00 H new ATOM 470 N ALA A 52 -6.368 -12.791 -7.622 1.00 0.00 N ATOM 471 CA ALA A 52 -5.072 -13.413 -7.923 1.00 0.00 C ATOM 472 C ALA A 52 -4.041 -12.327 -8.246 1.00 0.00 C ATOM 473 O ALA A 52 -2.931 -12.347 -7.721 1.00 0.00 O ATOM 474 CB ALA A 52 -5.206 -14.409 -9.089 1.00 0.00 C ATOM 0 H ALA A 52 -7.069 -12.948 -8.347 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.733 -13.969 -7.049 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.235 -14.859 -9.297 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.918 -15.190 -8.821 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.560 -13.885 -9.977 1.00 0.00 H new ATOM 480 N VAL A 53 -4.450 -11.364 -9.097 1.00 0.00 N ATOM 481 CA VAL A 53 -3.627 -10.190 -9.442 1.00 0.00 C ATOM 482 C VAL A 53 -3.389 -9.305 -8.199 1.00 0.00 C ATOM 483 O VAL A 53 -2.315 -8.731 -8.051 1.00 0.00 O ATOM 484 CB VAL A 53 -4.257 -9.371 -10.635 1.00 0.00 C ATOM 485 CG1 VAL A 53 -3.560 -8.002 -10.859 1.00 0.00 C ATOM 486 CG2 VAL A 53 -4.212 -10.210 -11.937 1.00 0.00 C ATOM 0 H VAL A 53 -5.358 -11.379 -9.562 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.656 -10.548 -9.784 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.292 -9.160 -10.365 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.035 -7.484 -11.692 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.648 -7.397 -9.957 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.506 -8.163 -11.086 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.649 -9.637 -12.755 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.177 -10.454 -12.177 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.778 -11.131 -11.796 1.00 0.00 H new ATOM 496 N SER A 54 -4.375 -9.264 -7.287 1.00 0.00 N ATOM 497 CA SER A 54 -4.271 -8.519 -6.016 1.00 0.00 C ATOM 498 C SER A 54 -3.262 -9.198 -5.066 1.00 0.00 C ATOM 499 O SER A 54 -2.438 -8.524 -4.431 1.00 0.00 O ATOM 500 CB SER A 54 -5.659 -8.422 -5.344 1.00 0.00 C ATOM 501 OG SER A 54 -5.628 -7.614 -4.178 1.00 0.00 O ATOM 0 H SER A 54 -5.266 -9.745 -7.408 1.00 0.00 H new ATOM 0 HA SER A 54 -3.912 -7.513 -6.233 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.377 -8.009 -6.053 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.007 -9.422 -5.084 1.00 0.00 H new ATOM 0 HG SER A 54 -6.524 -7.576 -3.783 1.00 0.00 H new ATOM 507 N ALA A 55 -3.333 -10.540 -5.002 1.00 0.00 N ATOM 508 CA ALA A 55 -2.483 -11.349 -4.109 1.00 0.00 C ATOM 509 C ALA A 55 -1.018 -11.342 -4.578 1.00 0.00 C ATOM 510 O ALA A 55 -0.100 -11.290 -3.757 1.00 0.00 O ATOM 511 CB ALA A 55 -3.024 -12.785 -4.020 1.00 0.00 C ATOM 0 H ALA A 55 -3.979 -11.093 -5.566 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.511 -10.904 -3.114 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.388 -13.373 -3.358 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.040 -12.767 -3.626 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.028 -13.235 -5.013 1.00 0.00 H new ATOM 517 N VAL A 56 -0.813 -11.385 -5.907 1.00 0.00 N ATOM 518 CA VAL A 56 0.536 -11.368 -6.507 1.00 0.00 C ATOM 519 C VAL A 56 1.095 -9.934 -6.558 1.00 0.00 C ATOM 520 O VAL A 56 2.302 -9.751 -6.517 1.00 0.00 O ATOM 521 CB VAL A 56 0.564 -12.040 -7.933 1.00 0.00 C ATOM 522 CG1 VAL A 56 -0.243 -11.246 -8.967 1.00 0.00 C ATOM 523 CG2 VAL A 56 2.003 -12.290 -8.427 1.00 0.00 C ATOM 0 H VAL A 56 -1.569 -11.432 -6.590 1.00 0.00 H new ATOM 0 HA VAL A 56 1.182 -11.966 -5.864 1.00 0.00 H new ATOM 0 HB VAL A 56 0.081 -13.011 -7.821 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.193 -11.749 -9.932 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.282 -11.181 -8.645 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.172 -10.242 -9.059 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.974 -12.754 -9.413 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.537 -11.342 -8.488 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.517 -12.951 -7.730 1.00 0.00 H new ATOM 533 N SER A 57 0.202 -8.922 -6.641 1.00 0.00 N ATOM 534 CA SER A 57 0.597 -7.496 -6.551 1.00 0.00 C ATOM 535 C SER A 57 1.191 -7.216 -5.173 1.00 0.00 C ATOM 536 O SER A 57 2.268 -6.626 -5.049 1.00 0.00 O ATOM 537 CB SER A 57 -0.619 -6.571 -6.794 1.00 0.00 C ATOM 538 OG SER A 57 -0.285 -5.198 -6.685 1.00 0.00 O ATOM 0 H SER A 57 -0.799 -9.066 -6.770 1.00 0.00 H new ATOM 0 HA SER A 57 1.342 -7.293 -7.320 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.027 -6.765 -7.786 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.403 -6.809 -6.075 1.00 0.00 H new ATOM 0 HG SER A 57 0.363 -4.963 -7.381 1.00 0.00 H new ATOM 544 N ARG A 58 0.474 -7.692 -4.140 1.00 0.00 N ATOM 545 CA ARG A 58 0.879 -7.531 -2.750 1.00 0.00 C ATOM 546 C ARG A 58 2.190 -8.291 -2.497 1.00 0.00 C ATOM 547 O ARG A 58 3.185 -7.690 -2.115 1.00 0.00 O ATOM 548 CB ARG A 58 -0.237 -8.034 -1.795 1.00 0.00 C ATOM 549 CG ARG A 58 0.029 -7.742 -0.303 1.00 0.00 C ATOM 550 CD ARG A 58 0.057 -6.228 -0.007 1.00 0.00 C ATOM 551 NE ARG A 58 0.387 -5.941 1.397 1.00 0.00 N ATOM 552 CZ ARG A 58 0.460 -4.719 1.942 1.00 0.00 C ATOM 553 NH1 ARG A 58 0.226 -3.625 1.218 1.00 0.00 N ATOM 554 NH2 ARG A 58 0.783 -4.597 3.216 1.00 0.00 N ATOM 0 H ARG A 58 -0.403 -8.199 -4.256 1.00 0.00 H new ATOM 0 HA ARG A 58 1.043 -6.472 -2.551 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.181 -7.571 -2.082 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.356 -9.109 -1.928 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.744 -8.216 0.303 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.980 -8.186 -0.010 1.00 0.00 H new ATOM 0 HD2 ARG A 58 0.789 -5.746 -0.656 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.914 -5.795 -0.246 1.00 0.00 H new ATOM 0 HE ARG A 58 0.576 -6.737 2.006 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.014 -3.709 0.230 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.287 -2.704 1.652 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.974 -5.428 3.776 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.841 -3.672 3.641 1.00 0.00 H new ATOM 568 N ARG A 59 2.175 -9.605 -2.794 1.00 0.00 N ATOM 569 CA ARG A 59 3.308 -10.518 -2.539 1.00 0.00 C ATOM 570 C ARG A 59 4.586 -10.034 -3.250 1.00 0.00 C ATOM 571 O ARG A 59 5.635 -9.965 -2.610 1.00 0.00 O ATOM 572 CB ARG A 59 2.928 -11.980 -2.935 1.00 0.00 C ATOM 573 CG ARG A 59 4.047 -13.061 -2.825 1.00 0.00 C ATOM 574 CD ARG A 59 4.828 -13.033 -1.495 1.00 0.00 C ATOM 575 NE ARG A 59 3.963 -13.041 -0.300 1.00 0.00 N ATOM 576 CZ ARG A 59 4.332 -12.588 0.907 1.00 0.00 C ATOM 577 NH1 ARG A 59 5.546 -12.071 1.104 1.00 0.00 N ATOM 578 NH2 ARG A 59 3.480 -12.638 1.916 1.00 0.00 N ATOM 0 H ARG A 59 1.371 -10.066 -3.220 1.00 0.00 H new ATOM 0 HA ARG A 59 3.525 -10.513 -1.471 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.093 -12.293 -2.309 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.569 -11.969 -3.964 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.597 -14.046 -2.948 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.749 -12.926 -3.648 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.494 -13.895 -1.457 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.457 -12.143 -1.472 1.00 0.00 H new ATOM 0 HE ARG A 59 3.020 -13.417 -0.399 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.209 -12.016 0.330 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.812 -11.731 2.028 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.545 -13.020 1.775 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.758 -12.294 2.835 1.00 0.00 H new ATOM 592 N ALA A 60 4.470 -9.650 -4.535 1.00 0.00 N ATOM 593 CA ALA A 60 5.607 -9.110 -5.322 1.00 0.00 C ATOM 594 C ALA A 60 6.220 -7.884 -4.631 1.00 0.00 C ATOM 595 O ALA A 60 7.440 -7.779 -4.496 1.00 0.00 O ATOM 596 CB ALA A 60 5.158 -8.745 -6.740 1.00 0.00 C ATOM 0 H ALA A 60 3.596 -9.702 -5.058 1.00 0.00 H new ATOM 0 HA ALA A 60 6.369 -9.887 -5.385 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.006 -8.351 -7.300 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.774 -9.634 -7.240 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.374 -7.990 -6.690 1.00 0.00 H new ATOM 602 N ASP A 61 5.341 -6.992 -4.156 1.00 0.00 N ATOM 603 CA ASP A 61 5.741 -5.763 -3.452 1.00 0.00 C ATOM 604 C ASP A 61 6.490 -6.112 -2.147 1.00 0.00 C ATOM 605 O ASP A 61 7.489 -5.465 -1.804 1.00 0.00 O ATOM 606 CB ASP A 61 4.496 -4.898 -3.150 1.00 0.00 C ATOM 607 CG ASP A 61 4.838 -3.495 -2.629 1.00 0.00 C ATOM 608 OD1 ASP A 61 5.017 -3.313 -1.407 1.00 0.00 O ATOM 609 OD2 ASP A 61 4.915 -2.547 -3.435 1.00 0.00 O ATOM 0 H ASP A 61 4.331 -7.101 -4.248 1.00 0.00 H new ATOM 0 HA ASP A 61 6.415 -5.193 -4.091 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.899 -4.805 -4.057 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.877 -5.410 -2.413 1.00 0.00 H new ATOM 614 N GLU A 62 6.014 -7.166 -1.447 1.00 0.00 N ATOM 615 CA GLU A 62 6.632 -7.642 -0.190 1.00 0.00 C ATOM 616 C GLU A 62 7.995 -8.319 -0.467 1.00 0.00 C ATOM 617 O GLU A 62 8.863 -8.350 0.409 1.00 0.00 O ATOM 618 CB GLU A 62 5.686 -8.617 0.579 1.00 0.00 C ATOM 619 CG GLU A 62 4.224 -8.133 0.776 1.00 0.00 C ATOM 620 CD GLU A 62 4.073 -6.695 1.321 1.00 0.00 C ATOM 621 OE1 GLU A 62 4.083 -6.512 2.561 1.00 0.00 O ATOM 622 OE2 GLU A 62 3.921 -5.738 0.521 1.00 0.00 O ATOM 0 H GLU A 62 5.198 -7.706 -1.735 1.00 0.00 H new ATOM 0 HA GLU A 62 6.800 -6.770 0.442 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.664 -9.567 0.045 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.118 -8.813 1.560 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.705 -8.198 -0.180 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.721 -8.818 1.459 1.00 0.00 H new ATOM 629 N GLU A 63 8.173 -8.852 -1.696 1.00 0.00 N ATOM 630 CA GLU A 63 9.465 -9.417 -2.160 1.00 0.00 C ATOM 631 C GLU A 63 10.459 -8.302 -2.537 1.00 0.00 C ATOM 632 O GLU A 63 11.650 -8.566 -2.744 1.00 0.00 O ATOM 633 CB GLU A 63 9.258 -10.369 -3.376 1.00 0.00 C ATOM 634 CG GLU A 63 8.263 -11.526 -3.149 1.00 0.00 C ATOM 635 CD GLU A 63 8.572 -12.393 -1.911 1.00 0.00 C ATOM 636 OE1 GLU A 63 9.387 -13.337 -2.019 1.00 0.00 O ATOM 637 OE2 GLU A 63 8.007 -12.129 -0.816 1.00 0.00 O ATOM 0 H GLU A 63 7.430 -8.904 -2.393 1.00 0.00 H new ATOM 0 HA GLU A 63 9.881 -9.990 -1.332 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.914 -9.777 -4.224 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.224 -10.792 -3.653 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.260 -11.113 -3.048 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.257 -12.164 -4.033 1.00 0.00 H new ATOM 644 N GLY A 64 9.952 -7.057 -2.624 1.00 0.00 N ATOM 645 CA GLY A 64 10.761 -5.892 -2.988 1.00 0.00 C ATOM 646 C GLY A 64 10.804 -5.659 -4.491 1.00 0.00 C ATOM 647 O GLY A 64 11.787 -5.122 -5.019 1.00 0.00 O ATOM 0 H GLY A 64 8.972 -6.838 -2.443 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.358 -5.006 -2.498 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.776 -6.028 -2.615 1.00 0.00 H new ATOM 651 N ALA A 65 9.729 -6.069 -5.177 1.00 0.00 N ATOM 652 CA ALA A 65 9.570 -5.895 -6.628 1.00 0.00 C ATOM 653 C ALA A 65 8.753 -4.643 -6.924 1.00 0.00 C ATOM 654 O ALA A 65 7.696 -4.419 -6.316 1.00 0.00 O ATOM 655 CB ALA A 65 8.885 -7.119 -7.253 1.00 0.00 C ATOM 0 H ALA A 65 8.937 -6.536 -4.736 1.00 0.00 H new ATOM 0 HA ALA A 65 10.562 -5.788 -7.066 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.778 -6.967 -8.327 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.490 -8.007 -7.070 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.900 -7.253 -6.806 1.00 0.00 H new ATOM 661 N ALA A 66 9.263 -3.830 -7.850 1.00 0.00 N ATOM 662 CA ALA A 66 8.562 -2.652 -8.372 1.00 0.00 C ATOM 663 C ALA A 66 7.350 -3.091 -9.198 1.00 0.00 C ATOM 664 O ALA A 66 6.275 -2.487 -9.139 1.00 0.00 O ATOM 665 CB ALA A 66 9.517 -1.822 -9.240 1.00 0.00 C ATOM 0 H ALA A 66 10.184 -3.971 -8.264 1.00 0.00 H new ATOM 0 HA ALA A 66 8.218 -2.041 -7.538 1.00 0.00 H new ATOM 0 HB1 ALA A 66 8.992 -0.948 -9.625 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.367 -1.499 -8.639 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.872 -2.429 -10.073 1.00 0.00 H new ATOM 671 N SER A 67 7.551 -4.179 -9.944 1.00 0.00 N ATOM 672 CA SER A 67 6.584 -4.690 -10.897 1.00 0.00 C ATOM 673 C SER A 67 6.537 -6.227 -10.837 1.00 0.00 C ATOM 674 O SER A 67 7.333 -6.856 -10.141 1.00 0.00 O ATOM 675 CB SER A 67 6.964 -4.188 -12.314 1.00 0.00 C ATOM 676 OG SER A 67 5.921 -4.418 -13.232 1.00 0.00 O ATOM 0 H SER A 67 8.406 -4.733 -9.897 1.00 0.00 H new ATOM 0 HA SER A 67 5.587 -4.325 -10.650 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.191 -3.123 -12.277 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.868 -4.695 -12.652 1.00 0.00 H new ATOM 0 HG SER A 67 5.065 -4.439 -12.756 1.00 0.00 H new ATOM 682 N PHE A 68 5.572 -6.802 -11.555 1.00 0.00 N ATOM 683 CA PHE A 68 5.446 -8.253 -11.757 1.00 0.00 C ATOM 684 C PHE A 68 4.821 -8.494 -13.134 1.00 0.00 C ATOM 685 O PHE A 68 4.342 -7.560 -13.755 1.00 0.00 O ATOM 686 CB PHE A 68 4.588 -8.915 -10.631 1.00 0.00 C ATOM 687 CG PHE A 68 3.089 -8.584 -10.669 1.00 0.00 C ATOM 688 CD1 PHE A 68 2.578 -7.469 -10.008 1.00 0.00 C ATOM 689 CD2 PHE A 68 2.191 -9.392 -11.378 1.00 0.00 C ATOM 690 CE1 PHE A 68 1.225 -7.178 -10.051 1.00 0.00 C ATOM 691 CE2 PHE A 68 0.843 -9.092 -11.421 1.00 0.00 C ATOM 692 CZ PHE A 68 0.360 -7.990 -10.756 1.00 0.00 C ATOM 0 H PHE A 68 4.841 -6.266 -12.023 1.00 0.00 H new ATOM 0 HA PHE A 68 6.433 -8.713 -11.710 1.00 0.00 H new ATOM 0 HB2 PHE A 68 4.706 -9.997 -10.695 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.987 -8.607 -9.664 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.245 -6.824 -9.456 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.558 -10.264 -11.899 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.845 -6.312 -9.530 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.168 -9.724 -11.978 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.695 -7.760 -10.785 1.00 0.00 H new ATOM 702 N TYR A 69 4.793 -9.748 -13.575 1.00 0.00 N ATOM 703 CA TYR A 69 4.121 -10.157 -14.805 1.00 0.00 C ATOM 704 C TYR A 69 3.691 -11.611 -14.658 1.00 0.00 C ATOM 705 O TYR A 69 4.535 -12.498 -14.474 1.00 0.00 O ATOM 706 CB TYR A 69 5.037 -9.980 -16.042 1.00 0.00 C ATOM 707 CG TYR A 69 4.444 -10.547 -17.345 1.00 0.00 C ATOM 708 CD1 TYR A 69 3.376 -9.915 -17.988 1.00 0.00 C ATOM 709 CD2 TYR A 69 4.944 -11.722 -17.925 1.00 0.00 C ATOM 710 CE1 TYR A 69 2.829 -10.433 -19.149 1.00 0.00 C ATOM 711 CE2 TYR A 69 4.400 -12.238 -19.086 1.00 0.00 C ATOM 712 CZ TYR A 69 3.347 -11.594 -19.693 1.00 0.00 C ATOM 713 OH TYR A 69 2.811 -12.119 -20.854 1.00 0.00 O ATOM 0 H TYR A 69 5.242 -10.519 -13.082 1.00 0.00 H new ATOM 0 HA TYR A 69 3.249 -9.522 -14.964 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.243 -8.919 -16.180 1.00 0.00 H new ATOM 0 HB3 TYR A 69 5.992 -10.467 -15.847 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.970 -9.005 -17.571 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.771 -12.234 -17.455 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.001 -9.932 -19.628 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.801 -13.144 -19.515 1.00 0.00 H new ATOM 0 HH TYR A 69 3.295 -12.936 -21.097 1.00 0.00 H new ATOM 723 N VAL A 70 2.377 -11.840 -14.731 1.00 0.00 N ATOM 724 CA VAL A 70 1.796 -13.178 -14.723 1.00 0.00 C ATOM 725 C VAL A 70 2.201 -13.921 -16.014 1.00 0.00 C ATOM 726 O VAL A 70 1.682 -13.637 -17.102 1.00 0.00 O ATOM 727 CB VAL A 70 0.232 -13.117 -14.570 1.00 0.00 C ATOM 728 CG1 VAL A 70 -0.384 -14.531 -14.600 1.00 0.00 C ATOM 729 CG2 VAL A 70 -0.177 -12.356 -13.278 1.00 0.00 C ATOM 0 H VAL A 70 1.685 -11.094 -14.798 1.00 0.00 H new ATOM 0 HA VAL A 70 2.181 -13.726 -13.863 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.163 -12.562 -15.421 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.466 -14.459 -14.492 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.145 -15.012 -15.549 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.024 -15.123 -13.780 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.264 -12.330 -13.200 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.238 -12.866 -12.409 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.208 -11.337 -13.319 1.00 0.00 H new ATOM 739 N VAL A 71 3.178 -14.834 -15.881 1.00 0.00 N ATOM 740 CA VAL A 71 3.694 -15.629 -17.008 1.00 0.00 C ATOM 741 C VAL A 71 2.760 -16.813 -17.280 1.00 0.00 C ATOM 742 O VAL A 71 2.579 -17.229 -18.431 1.00 0.00 O ATOM 743 CB VAL A 71 5.169 -16.124 -16.738 1.00 0.00 C ATOM 744 CG1 VAL A 71 5.273 -16.971 -15.443 1.00 0.00 C ATOM 745 CG2 VAL A 71 5.766 -16.888 -17.956 1.00 0.00 C ATOM 0 H VAL A 71 3.631 -15.041 -14.991 1.00 0.00 H new ATOM 0 HA VAL A 71 3.724 -14.992 -17.892 1.00 0.00 H new ATOM 0 HB VAL A 71 5.769 -15.226 -16.591 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.305 -17.289 -15.298 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.955 -16.372 -14.590 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.632 -17.848 -15.529 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.781 -17.208 -17.722 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.151 -17.761 -18.175 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.784 -16.230 -18.825 1.00 0.00 H new ATOM 755 N ASP A 72 2.122 -17.318 -16.208 1.00 0.00 N ATOM 756 CA ASP A 72 1.335 -18.547 -16.269 1.00 0.00 C ATOM 757 C ASP A 72 0.226 -18.558 -15.197 1.00 0.00 C ATOM 758 O ASP A 72 0.373 -17.986 -14.119 1.00 0.00 O ATOM 759 CB ASP A 72 2.279 -19.763 -16.095 1.00 0.00 C ATOM 760 CG ASP A 72 1.561 -21.109 -16.257 1.00 0.00 C ATOM 761 OD1 ASP A 72 1.283 -21.511 -17.405 1.00 0.00 O ATOM 762 OD2 ASP A 72 1.265 -21.768 -15.241 1.00 0.00 O ATOM 0 H ASP A 72 2.142 -16.884 -15.285 1.00 0.00 H new ATOM 0 HA ASP A 72 0.844 -18.603 -17.240 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.085 -19.697 -16.826 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.739 -19.720 -15.108 1.00 0.00 H new ATOM 767 N THR A 73 -0.887 -19.218 -15.548 1.00 0.00 N ATOM 768 CA THR A 73 -2.038 -19.477 -14.670 1.00 0.00 C ATOM 769 C THR A 73 -2.552 -20.886 -15.005 1.00 0.00 C ATOM 770 O THR A 73 -3.028 -21.111 -16.122 1.00 0.00 O ATOM 771 CB THR A 73 -3.184 -18.418 -14.889 1.00 0.00 C ATOM 772 OG1 THR A 73 -3.413 -18.212 -16.298 1.00 0.00 O ATOM 773 CG2 THR A 73 -2.872 -17.066 -14.242 1.00 0.00 C ATOM 0 H THR A 73 -1.015 -19.600 -16.485 1.00 0.00 H new ATOM 0 HA THR A 73 -1.733 -19.402 -13.626 1.00 0.00 H new ATOM 0 HB THR A 73 -4.074 -18.826 -14.410 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.467 -19.079 -16.751 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.696 -16.376 -14.425 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.741 -17.198 -13.168 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.956 -16.660 -14.672 1.00 0.00 H new ATOM 781 N SER A 74 -2.419 -21.836 -14.066 1.00 0.00 N ATOM 782 CA SER A 74 -2.817 -23.238 -14.293 1.00 0.00 C ATOM 783 C SER A 74 -3.430 -23.850 -13.023 1.00 0.00 C ATOM 784 O SER A 74 -3.033 -23.508 -11.902 1.00 0.00 O ATOM 785 CB SER A 74 -1.604 -24.083 -14.763 1.00 0.00 C ATOM 786 OG SER A 74 -1.072 -23.601 -15.991 1.00 0.00 O ATOM 0 H SER A 74 -2.037 -21.659 -13.137 1.00 0.00 H new ATOM 0 HA SER A 74 -3.574 -23.247 -15.078 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.828 -24.063 -13.998 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.909 -25.123 -14.881 1.00 0.00 H new ATOM 0 HG SER A 74 -0.307 -23.016 -15.809 1.00 0.00 H new ATOM 792 N GLU A 75 -4.396 -24.764 -13.237 1.00 0.00 N ATOM 793 CA GLU A 75 -5.042 -25.560 -12.184 1.00 0.00 C ATOM 794 C GLU A 75 -4.017 -26.443 -11.457 1.00 0.00 C ATOM 795 O GLU A 75 -3.178 -27.085 -12.096 1.00 0.00 O ATOM 796 CB GLU A 75 -6.181 -26.421 -12.809 1.00 0.00 C ATOM 797 CG GLU A 75 -7.501 -25.649 -13.109 1.00 0.00 C ATOM 798 CD GLU A 75 -8.503 -25.643 -11.929 1.00 0.00 C ATOM 799 OE1 GLU A 75 -8.113 -25.301 -10.794 1.00 0.00 O ATOM 800 OE2 GLU A 75 -9.684 -26.021 -12.130 1.00 0.00 O ATOM 0 H GLU A 75 -4.755 -24.972 -14.169 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.474 -24.887 -11.444 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.816 -26.861 -13.737 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.406 -27.246 -12.132 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.257 -24.620 -13.372 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.982 -26.095 -13.980 1.00 0.00 H new ATOM 866 N ASN A 81 -8.794 -24.800 -7.904 1.00 0.00 N ATOM 867 CA ASN A 81 -7.652 -24.654 -6.976 1.00 0.00 C ATOM 868 C ASN A 81 -6.435 -24.088 -7.720 1.00 0.00 C ATOM 869 O ASN A 81 -5.284 -24.273 -7.304 1.00 0.00 O ATOM 870 CB ASN A 81 -7.317 -26.028 -6.320 1.00 0.00 C ATOM 871 CG ASN A 81 -6.896 -27.132 -7.304 1.00 0.00 C ATOM 872 OD1 ASN A 81 -7.338 -27.188 -8.455 1.00 0.00 O ATOM 873 ND2 ASN A 81 -6.033 -28.025 -6.851 1.00 0.00 N ATOM 0 HA ASN A 81 -7.922 -23.955 -6.185 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -6.515 -25.882 -5.596 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -8.190 -26.371 -5.764 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -5.718 -28.782 -7.457 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.683 -27.957 -5.896 1.00 0.00 H new ATOM 880 N TRP A 82 -6.726 -23.353 -8.803 1.00 0.00 N ATOM 881 CA TRP A 82 -5.730 -22.839 -9.743 1.00 0.00 C ATOM 882 C TRP A 82 -4.731 -21.888 -9.051 1.00 0.00 C ATOM 883 O TRP A 82 -5.111 -21.026 -8.243 1.00 0.00 O ATOM 884 CB TRP A 82 -6.433 -22.142 -10.942 1.00 0.00 C ATOM 885 CG TRP A 82 -7.191 -20.873 -10.588 1.00 0.00 C ATOM 886 CD1 TRP A 82 -8.291 -20.752 -9.776 1.00 0.00 C ATOM 887 CD2 TRP A 82 -6.895 -19.551 -11.053 1.00 0.00 C ATOM 888 NE1 TRP A 82 -8.676 -19.437 -9.706 1.00 0.00 N ATOM 889 CE2 TRP A 82 -7.837 -18.685 -10.483 1.00 0.00 C ATOM 890 CE3 TRP A 82 -5.915 -19.019 -11.893 1.00 0.00 C ATOM 891 CZ2 TRP A 82 -7.837 -17.320 -10.732 1.00 0.00 C ATOM 892 CZ3 TRP A 82 -5.916 -17.663 -12.137 1.00 0.00 C ATOM 893 CH2 TRP A 82 -6.871 -16.824 -11.556 1.00 0.00 C ATOM 0 H TRP A 82 -7.681 -23.096 -9.051 1.00 0.00 H new ATOM 0 HA TRP A 82 -5.155 -23.684 -10.122 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -5.682 -21.902 -11.695 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -7.127 -22.848 -11.398 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -8.780 -21.570 -9.268 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -9.461 -19.078 -9.163 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -5.170 -19.658 -12.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -8.578 -16.672 -10.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -5.165 -17.241 -12.789 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -6.843 -15.764 -11.763 1.00 0.00 H new ATOM 904 N ARG A 83 -3.449 -22.115 -9.342 1.00 0.00 N ATOM 905 CA ARG A 83 -2.344 -21.289 -8.857 1.00 0.00 C ATOM 906 C ARG A 83 -1.811 -20.396 -9.992 1.00 0.00 C ATOM 907 O ARG A 83 -1.949 -20.719 -11.185 1.00 0.00 O ATOM 908 CB ARG A 83 -1.242 -22.195 -8.220 1.00 0.00 C ATOM 909 CG ARG A 83 -0.716 -23.367 -9.084 1.00 0.00 C ATOM 910 CD ARG A 83 0.316 -22.956 -10.141 1.00 0.00 C ATOM 911 NE ARG A 83 0.906 -24.130 -10.801 1.00 0.00 N ATOM 912 CZ ARG A 83 1.250 -24.210 -12.090 1.00 0.00 C ATOM 913 NH1 ARG A 83 1.006 -23.204 -12.909 1.00 0.00 N ATOM 914 NH2 ARG A 83 1.843 -25.292 -12.550 1.00 0.00 N ATOM 0 H ARG A 83 -3.145 -22.891 -9.931 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.695 -20.619 -8.072 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.395 -21.563 -7.953 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.637 -22.608 -7.292 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.270 -24.115 -8.429 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.560 -23.843 -9.583 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.159 -22.318 -10.887 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.104 -22.366 -9.672 1.00 0.00 H new ATOM 0 HE ARG A 83 1.067 -24.956 -10.224 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.553 -22.360 -12.559 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.271 -23.271 -13.892 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.041 -26.071 -11.922 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.105 -25.351 -13.534 1.00 0.00 H new ATOM 928 N VAL A 84 -1.199 -19.278 -9.598 1.00 0.00 N ATOM 929 CA VAL A 84 -0.671 -18.268 -10.513 1.00 0.00 C ATOM 930 C VAL A 84 0.850 -18.177 -10.367 1.00 0.00 C ATOM 931 O VAL A 84 1.368 -17.963 -9.268 1.00 0.00 O ATOM 932 CB VAL A 84 -1.319 -16.869 -10.240 1.00 0.00 C ATOM 933 CG1 VAL A 84 -0.750 -15.786 -11.183 1.00 0.00 C ATOM 934 CG2 VAL A 84 -2.857 -16.960 -10.341 1.00 0.00 C ATOM 0 H VAL A 84 -1.054 -19.046 -8.615 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.920 -18.566 -11.532 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.063 -16.569 -9.224 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.223 -14.828 -10.965 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.326 -15.702 -11.033 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.951 -16.062 -12.218 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.293 -15.980 -10.149 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.137 -17.292 -11.341 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.228 -17.673 -9.605 1.00 0.00 H new ATOM 944 N VAL A 85 1.543 -18.369 -11.487 1.00 0.00 N ATOM 945 CA VAL A 85 2.991 -18.209 -11.595 1.00 0.00 C ATOM 946 C VAL A 85 3.273 -16.844 -12.250 1.00 0.00 C ATOM 947 O VAL A 85 2.766 -16.563 -13.347 1.00 0.00 O ATOM 948 CB VAL A 85 3.606 -19.367 -12.454 1.00 0.00 C ATOM 949 CG1 VAL A 85 5.146 -19.315 -12.456 1.00 0.00 C ATOM 950 CG2 VAL A 85 3.088 -20.739 -11.963 1.00 0.00 C ATOM 0 H VAL A 85 1.103 -18.646 -12.365 1.00 0.00 H new ATOM 0 HA VAL A 85 3.448 -18.251 -10.606 1.00 0.00 H new ATOM 0 HB VAL A 85 3.281 -19.230 -13.485 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.537 -20.133 -13.061 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.477 -18.364 -12.873 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.515 -19.411 -11.435 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.525 -21.532 -12.570 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.371 -20.883 -10.920 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.002 -20.771 -12.052 1.00 0.00 H new ATOM 960 N ALA A 86 4.062 -15.992 -11.578 1.00 0.00 N ATOM 961 CA ALA A 86 4.343 -14.624 -12.044 1.00 0.00 C ATOM 962 C ALA A 86 5.784 -14.210 -11.720 1.00 0.00 C ATOM 963 O ALA A 86 6.212 -14.293 -10.567 1.00 0.00 O ATOM 964 CB ALA A 86 3.350 -13.639 -11.412 1.00 0.00 C ATOM 0 H ALA A 86 4.522 -16.230 -10.699 1.00 0.00 H new ATOM 0 HA ALA A 86 4.226 -14.604 -13.127 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.566 -12.630 -11.763 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.334 -13.913 -11.697 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.444 -13.674 -10.327 1.00 0.00 H new ATOM 970 N ASP A 87 6.518 -13.763 -12.748 1.00 0.00 N ATOM 971 CA ASP A 87 7.876 -13.212 -12.602 1.00 0.00 C ATOM 972 C ASP A 87 7.817 -11.820 -11.970 1.00 0.00 C ATOM 973 O ASP A 87 6.908 -11.059 -12.260 1.00 0.00 O ATOM 974 CB ASP A 87 8.552 -13.128 -13.981 1.00 0.00 C ATOM 975 CG ASP A 87 8.848 -14.505 -14.599 1.00 0.00 C ATOM 976 OD1 ASP A 87 9.931 -15.077 -14.329 1.00 0.00 O ATOM 977 OD2 ASP A 87 7.996 -15.034 -15.336 1.00 0.00 O ATOM 0 H ASP A 87 6.185 -13.773 -13.712 1.00 0.00 H new ATOM 0 HA ASP A 87 8.456 -13.869 -11.954 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.911 -12.564 -14.658 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.485 -12.572 -13.887 1.00 0.00 H new ATOM 982 N VAL A 88 8.786 -11.494 -11.103 1.00 0.00 N ATOM 983 CA VAL A 88 8.827 -10.196 -10.396 1.00 0.00 C ATOM 984 C VAL A 88 10.062 -9.376 -10.825 1.00 0.00 C ATOM 985 O VAL A 88 11.178 -9.906 -10.932 1.00 0.00 O ATOM 986 CB VAL A 88 8.768 -10.393 -8.836 1.00 0.00 C ATOM 987 CG1 VAL A 88 7.422 -11.028 -8.420 1.00 0.00 C ATOM 988 CG2 VAL A 88 9.947 -11.232 -8.289 1.00 0.00 C ATOM 0 H VAL A 88 9.561 -12.115 -10.870 1.00 0.00 H new ATOM 0 HA VAL A 88 7.941 -9.628 -10.680 1.00 0.00 H new ATOM 0 HB VAL A 88 8.854 -9.400 -8.394 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.399 -11.157 -7.338 1.00 0.00 H new ATOM 0 HG12 VAL A 88 6.603 -10.377 -8.725 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.313 -11.999 -8.903 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.851 -11.333 -7.208 1.00 0.00 H new ATOM 0 HG22 VAL A 88 9.934 -12.220 -8.748 1.00 0.00 H new ATOM 0 HG23 VAL A 88 10.888 -10.735 -8.525 1.00 0.00 H new ATOM 998 N TYR A 89 9.835 -8.071 -11.077 1.00 0.00 N ATOM 999 CA TYR A 89 10.815 -7.153 -11.687 1.00 0.00 C ATOM 1000 C TYR A 89 11.211 -6.047 -10.683 1.00 0.00 C ATOM 1001 O TYR A 89 10.347 -5.393 -10.090 1.00 0.00 O ATOM 1002 CB TYR A 89 10.210 -6.519 -12.976 1.00 0.00 C ATOM 1003 CG TYR A 89 9.873 -7.523 -14.094 1.00 0.00 C ATOM 1004 CD1 TYR A 89 8.736 -8.335 -14.013 1.00 0.00 C ATOM 1005 CD2 TYR A 89 10.685 -7.660 -15.228 1.00 0.00 C ATOM 1006 CE1 TYR A 89 8.425 -9.240 -15.009 1.00 0.00 C ATOM 1007 CE2 TYR A 89 10.368 -8.566 -16.231 1.00 0.00 C ATOM 1008 CZ TYR A 89 9.241 -9.352 -16.115 1.00 0.00 C ATOM 1009 OH TYR A 89 8.930 -10.261 -17.107 1.00 0.00 O ATOM 0 H TYR A 89 8.948 -7.618 -10.858 1.00 0.00 H new ATOM 0 HA TYR A 89 11.710 -7.715 -11.953 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.302 -5.979 -12.706 1.00 0.00 H new ATOM 0 HB3 TYR A 89 10.914 -5.784 -13.367 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.088 -8.252 -13.153 1.00 0.00 H new ATOM 0 HD2 TYR A 89 11.572 -7.051 -15.323 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.544 -9.859 -14.922 1.00 0.00 H new ATOM 0 HE2 TYR A 89 11.003 -8.655 -17.100 1.00 0.00 H new ATOM 0 HH TYR A 89 9.604 -10.214 -17.817 1.00 0.00 H new ATOM 1019 N LYS A 90 12.530 -5.864 -10.508 1.00 0.00 N ATOM 1020 CA LYS A 90 13.125 -4.853 -9.616 1.00 0.00 C ATOM 1021 C LYS A 90 13.446 -3.590 -10.438 1.00 0.00 C ATOM 1022 O LYS A 90 13.958 -3.695 -11.557 1.00 0.00 O ATOM 1023 CB LYS A 90 14.428 -5.443 -8.977 1.00 0.00 C ATOM 1024 CG LYS A 90 14.801 -4.941 -7.562 1.00 0.00 C ATOM 1025 CD LYS A 90 15.341 -3.493 -7.501 1.00 0.00 C ATOM 1026 CE LYS A 90 16.766 -3.325 -8.086 1.00 0.00 C ATOM 1027 NZ LYS A 90 16.822 -3.425 -9.572 1.00 0.00 N ATOM 0 H LYS A 90 13.229 -6.427 -10.993 1.00 0.00 H new ATOM 0 HA LYS A 90 12.431 -4.588 -8.819 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.325 -6.527 -8.936 1.00 0.00 H new ATOM 0 HB3 LYS A 90 15.262 -5.227 -9.645 1.00 0.00 H new ATOM 0 HG2 LYS A 90 13.920 -5.011 -6.925 1.00 0.00 H new ATOM 0 HG3 LYS A 90 15.552 -5.610 -7.142 1.00 0.00 H new ATOM 0 HD2 LYS A 90 14.658 -2.839 -8.043 1.00 0.00 H new ATOM 0 HD3 LYS A 90 15.344 -3.161 -6.463 1.00 0.00 H new ATOM 0 HE2 LYS A 90 17.162 -2.356 -7.781 1.00 0.00 H new ATOM 0 HE3 LYS A 90 17.417 -4.085 -7.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 17.498 -2.727 -9.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 17.128 -4.381 -9.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 15.879 -3.237 -9.968 1.00 0.00 H new ATOM 1041 N ALA A 91 13.165 -2.409 -9.868 1.00 0.00 N ATOM 1042 CA ALA A 91 13.492 -1.114 -10.492 1.00 0.00 C ATOM 1043 C ALA A 91 14.950 -0.741 -10.144 1.00 0.00 C ATOM 1044 O ALA A 91 15.856 -0.998 -10.964 1.00 0.00 O ATOM 1045 CB ALA A 91 12.493 -0.021 -10.041 1.00 0.00 C ATOM 1046 OXT ALA A 91 15.197 -0.264 -9.015 1.00 0.00 O ATOM 0 H ALA A 91 12.705 -2.322 -8.962 1.00 0.00 H new ATOM 0 HA ALA A 91 13.404 -1.194 -11.575 1.00 0.00 H new ATOM 0 HB1 ALA A 91 12.753 0.926 -10.513 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.483 -0.308 -10.334 1.00 0.00 H new ATOM 0 HB3 ALA A 91 12.539 0.089 -8.958 1.00 0.00 H new