USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 522 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 41:sc= 0.924 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 176:sc= 1.3 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 17:sc= 0.781! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot -15:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.125 K(o=-0.12,f=-2!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -3.07! K(o=-3.1!,f=-1.5) USER MOD Single : A 50 ASN : amide:sc= -0.555 X(o=-0.55,f=-0.45) USER MOD Single : A 58 HIS : no HD1:sc= -1.42! C(o=-1.4!,f=-6.5!) USER MOD Single : A 59 GLN : amide:sc= -0.0379 K(o=-0.038,f=-0.56) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.125 K(o=-0.12,f=-1.9!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.851 31.349 5.753 1.00 0.00 N ATOM 2 CA GLY A 1 1.949 30.402 5.693 1.00 0.00 C ATOM 3 C GLY A 1 2.081 29.752 4.330 1.00 0.00 C ATOM 4 O GLY A 1 2.567 30.372 3.384 1.00 0.00 O ATOM 0 H1 GLY A 1 0.803 31.765 6.705 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.004 32.102 5.053 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.042 30.859 5.545 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.879 30.913 5.940 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.800 29.630 6.447 1.00 0.00 H new ATOM 8 N SER A 2 1.647 28.500 4.228 1.00 0.00 N ATOM 9 CA SER A 2 1.724 27.764 2.972 1.00 0.00 C ATOM 10 C SER A 2 3.147 27.773 2.423 1.00 0.00 C ATOM 11 O SER A 2 3.362 27.967 1.226 1.00 0.00 O ATOM 12 CB SER A 2 0.765 28.367 1.944 1.00 0.00 C ATOM 13 OG SER A 2 -0.584 28.209 2.351 1.00 0.00 O ATOM 0 H SER A 2 1.238 27.974 5.000 1.00 0.00 H new ATOM 0 HA SER A 2 1.435 26.731 3.166 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.987 29.426 1.812 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.915 27.887 0.977 1.00 0.00 H new ATOM 0 HG SER A 2 -1.177 28.604 1.678 1.00 0.00 H new ATOM 19 N SER A 3 4.117 27.563 3.307 1.00 0.00 N ATOM 20 CA SER A 3 5.521 27.551 2.913 1.00 0.00 C ATOM 21 C SER A 3 6.128 26.165 3.108 1.00 0.00 C ATOM 22 O SER A 3 6.641 25.845 4.180 1.00 0.00 O ATOM 23 CB SER A 3 6.309 28.583 3.722 1.00 0.00 C ATOM 24 OG SER A 3 6.254 28.295 5.108 1.00 0.00 O ATOM 0 H SER A 3 3.956 27.399 4.301 1.00 0.00 H new ATOM 0 HA SER A 3 5.578 27.809 1.855 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.347 28.593 3.391 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.906 29.579 3.538 1.00 0.00 H new ATOM 0 HG SER A 3 6.339 27.328 5.245 1.00 0.00 H new ATOM 30 N GLY A 4 6.066 25.346 2.062 1.00 0.00 N ATOM 31 CA GLY A 4 6.613 24.003 2.138 1.00 0.00 C ATOM 32 C GLY A 4 6.327 23.190 0.892 1.00 0.00 C ATOM 33 O GLY A 4 6.310 23.725 -0.217 1.00 0.00 O ATOM 0 H GLY A 4 5.647 25.588 1.164 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.691 24.061 2.291 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.195 23.492 3.005 1.00 0.00 H new ATOM 37 N SER A 5 6.104 21.892 1.072 1.00 0.00 N ATOM 38 CA SER A 5 5.823 21.002 -0.048 1.00 0.00 C ATOM 39 C SER A 5 4.588 20.151 0.230 1.00 0.00 C ATOM 40 O SER A 5 4.502 19.479 1.258 1.00 0.00 O ATOM 41 CB SER A 5 7.027 20.098 -0.323 1.00 0.00 C ATOM 42 OG SER A 5 8.143 20.855 -0.760 1.00 0.00 O ATOM 0 H SER A 5 6.113 21.433 1.983 1.00 0.00 H new ATOM 0 HA SER A 5 5.629 21.616 -0.928 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.288 19.549 0.582 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.766 19.359 -1.080 1.00 0.00 H new ATOM 0 HG SER A 5 8.900 20.255 -0.927 1.00 0.00 H new ATOM 48 N SER A 6 3.632 20.186 -0.693 1.00 0.00 N ATOM 49 CA SER A 6 2.399 19.422 -0.546 1.00 0.00 C ATOM 50 C SER A 6 2.697 17.982 -0.140 1.00 0.00 C ATOM 51 O SER A 6 3.249 17.207 -0.920 1.00 0.00 O ATOM 52 CB SER A 6 1.604 19.442 -1.853 1.00 0.00 C ATOM 53 OG SER A 6 0.798 20.604 -1.942 1.00 0.00 O ATOM 0 H SER A 6 3.688 20.735 -1.551 1.00 0.00 H new ATOM 0 HA SER A 6 1.804 19.886 0.240 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.289 19.405 -2.700 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.975 18.554 -1.913 1.00 0.00 H new ATOM 0 HG SER A 6 0.301 20.594 -2.787 1.00 0.00 H new ATOM 59 N GLY A 7 2.328 17.631 1.088 1.00 0.00 N ATOM 60 CA GLY A 7 2.563 16.285 1.577 1.00 0.00 C ATOM 61 C GLY A 7 1.276 15.530 1.840 1.00 0.00 C ATOM 62 O GLY A 7 0.652 15.701 2.887 1.00 0.00 O ATOM 0 H GLY A 7 1.871 18.255 1.753 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.160 15.736 0.848 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.147 16.333 2.496 1.00 0.00 H new ATOM 66 N GLU A 8 0.876 14.694 0.887 1.00 0.00 N ATOM 67 CA GLU A 8 -0.348 13.913 1.020 1.00 0.00 C ATOM 68 C GLU A 8 -0.093 12.443 0.697 1.00 0.00 C ATOM 69 O GLU A 8 0.815 12.097 -0.060 1.00 0.00 O ATOM 70 CB GLU A 8 -1.437 14.468 0.100 1.00 0.00 C ATOM 71 CG GLU A 8 -1.871 15.880 0.453 1.00 0.00 C ATOM 72 CD GLU A 8 -3.211 16.248 -0.154 1.00 0.00 C ATOM 73 OE1 GLU A 8 -4.203 15.544 0.128 1.00 0.00 O ATOM 74 OE2 GLU A 8 -3.267 17.240 -0.910 1.00 0.00 O ATOM 0 H GLU A 8 1.382 14.540 0.015 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.685 13.987 2.054 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.074 14.455 -0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.305 13.810 0.140 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.928 15.978 1.537 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.115 16.585 0.109 1.00 0.00 H new ATOM 81 N PRO A 9 -0.912 11.558 1.283 1.00 0.00 N ATOM 82 CA PRO A 9 -0.796 10.112 1.073 1.00 0.00 C ATOM 83 C PRO A 9 -1.198 9.697 -0.338 1.00 0.00 C ATOM 84 O PRO A 9 -1.858 10.453 -1.053 1.00 0.00 O ATOM 85 CB PRO A 9 -1.767 9.525 2.100 1.00 0.00 C ATOM 86 CG PRO A 9 -2.766 10.605 2.338 1.00 0.00 C ATOM 87 CD PRO A 9 -2.015 11.901 2.196 1.00 0.00 C ATOM 0 HA PRO A 9 0.231 9.765 1.190 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.244 8.621 1.722 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.252 9.252 3.021 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.583 10.546 1.619 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.208 10.516 3.331 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.647 12.688 1.785 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.645 12.258 3.157 1.00 0.00 H new ATOM 95 N ILE A 10 -0.798 8.494 -0.733 1.00 0.00 N ATOM 96 CA ILE A 10 -1.119 7.979 -2.058 1.00 0.00 C ATOM 97 C ILE A 10 -2.104 6.818 -1.974 1.00 0.00 C ATOM 98 O ILE A 10 -1.804 5.779 -1.387 1.00 0.00 O ATOM 99 CB ILE A 10 0.146 7.510 -2.802 1.00 0.00 C ATOM 100 CG1 ILE A 10 1.175 8.641 -2.865 1.00 0.00 C ATOM 101 CG2 ILE A 10 -0.209 7.031 -4.201 1.00 0.00 C ATOM 102 CD1 ILE A 10 2.533 8.195 -3.360 1.00 0.00 C ATOM 0 H ILE A 10 -0.251 7.857 -0.154 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.574 8.800 -2.612 1.00 0.00 H new ATOM 0 HB ILE A 10 0.584 6.675 -2.254 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.799 9.427 -3.519 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.284 9.078 -1.872 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.695 6.703 -4.714 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.910 6.199 -4.134 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.667 7.847 -4.760 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.212 9.048 -3.379 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.930 7.430 -2.693 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.437 7.785 -4.366 1.00 0.00 H new ATOM 114 N GLU A 11 -3.280 7.003 -2.565 1.00 0.00 N ATOM 115 CA GLU A 11 -4.310 5.970 -2.557 1.00 0.00 C ATOM 116 C GLU A 11 -3.981 4.867 -3.559 1.00 0.00 C ATOM 117 O GLU A 11 -3.962 5.098 -4.768 1.00 0.00 O ATOM 118 CB GLU A 11 -5.676 6.578 -2.881 1.00 0.00 C ATOM 119 CG GLU A 11 -6.379 7.173 -1.672 1.00 0.00 C ATOM 120 CD GLU A 11 -7.306 8.315 -2.040 1.00 0.00 C ATOM 121 OE1 GLU A 11 -6.812 9.451 -2.204 1.00 0.00 O ATOM 122 OE2 GLU A 11 -8.525 8.074 -2.164 1.00 0.00 O ATOM 0 H GLU A 11 -3.543 7.858 -3.055 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.343 5.533 -1.559 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.549 7.354 -3.636 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.312 5.809 -3.319 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.951 6.393 -1.169 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.633 7.530 -0.962 1.00 0.00 H new ATOM 129 N ALA A 12 -3.723 3.669 -3.047 1.00 0.00 N ATOM 130 CA ALA A 12 -3.396 2.529 -3.896 1.00 0.00 C ATOM 131 C ALA A 12 -4.494 1.472 -3.842 1.00 0.00 C ATOM 132 O ALA A 12 -5.277 1.426 -2.893 1.00 0.00 O ATOM 133 CB ALA A 12 -2.061 1.928 -3.482 1.00 0.00 C ATOM 0 H ALA A 12 -3.734 3.462 -2.048 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.319 2.883 -4.924 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.830 1.078 -4.124 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.278 2.680 -3.579 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.118 1.595 -2.446 1.00 0.00 H new ATOM 139 N ILE A 13 -4.546 0.627 -4.865 1.00 0.00 N ATOM 140 CA ILE A 13 -5.548 -0.430 -4.933 1.00 0.00 C ATOM 141 C ILE A 13 -4.896 -1.808 -4.904 1.00 0.00 C ATOM 142 O ILE A 13 -3.967 -2.083 -5.663 1.00 0.00 O ATOM 143 CB ILE A 13 -6.409 -0.308 -6.204 1.00 0.00 C ATOM 144 CG1 ILE A 13 -7.106 1.054 -6.245 1.00 0.00 C ATOM 145 CG2 ILE A 13 -7.431 -1.434 -6.261 1.00 0.00 C ATOM 146 CD1 ILE A 13 -7.925 1.351 -5.008 1.00 0.00 C ATOM 0 H ILE A 13 -3.906 0.653 -5.659 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.188 -0.315 -4.058 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.759 -0.389 -7.075 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.355 1.834 -6.369 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.756 1.095 -7.119 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.032 -1.334 -7.165 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.915 -2.394 -6.273 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -8.079 -1.381 -5.386 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.390 2.332 -5.106 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.699 0.592 -4.893 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.277 1.343 -4.132 1.00 0.00 H new ATOM 158 N ALA A 14 -5.392 -2.673 -4.024 1.00 0.00 N ATOM 159 CA ALA A 14 -4.860 -4.024 -3.899 1.00 0.00 C ATOM 160 C ALA A 14 -5.147 -4.845 -5.152 1.00 0.00 C ATOM 161 O ALA A 14 -6.304 -5.092 -5.494 1.00 0.00 O ATOM 162 CB ALA A 14 -5.444 -4.709 -2.673 1.00 0.00 C ATOM 0 H ALA A 14 -6.161 -2.462 -3.388 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.779 -3.953 -3.782 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.038 -5.717 -2.592 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.184 -4.140 -1.780 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.529 -4.761 -2.767 1.00 0.00 H new ATOM 168 N LYS A 15 -4.087 -5.264 -5.835 1.00 0.00 N ATOM 169 CA LYS A 15 -4.224 -6.058 -7.050 1.00 0.00 C ATOM 170 C LYS A 15 -4.722 -7.463 -6.729 1.00 0.00 C ATOM 171 O LYS A 15 -5.564 -8.012 -7.441 1.00 0.00 O ATOM 172 CB LYS A 15 -2.884 -6.136 -7.786 1.00 0.00 C ATOM 173 CG LYS A 15 -2.698 -5.046 -8.827 1.00 0.00 C ATOM 174 CD LYS A 15 -1.817 -5.514 -9.974 1.00 0.00 C ATOM 175 CE LYS A 15 -0.403 -5.817 -9.503 1.00 0.00 C ATOM 176 NZ LYS A 15 0.477 -4.619 -9.583 1.00 0.00 N ATOM 0 H LYS A 15 -3.123 -5.067 -5.567 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.957 -5.570 -7.692 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.075 -6.074 -7.058 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.802 -7.108 -8.272 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.670 -4.742 -9.215 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.252 -4.168 -8.360 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.250 -6.406 -10.426 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.787 -4.747 -10.748 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.432 -6.178 -8.475 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.018 -6.618 -10.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.432 -4.867 -9.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.526 -4.289 -10.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.089 -3.863 -8.983 1.00 0.00 H new ATOM 190 N PHE A 16 -4.199 -8.040 -5.653 1.00 0.00 N ATOM 191 CA PHE A 16 -4.592 -9.382 -5.237 1.00 0.00 C ATOM 192 C PHE A 16 -4.648 -9.485 -3.716 1.00 0.00 C ATOM 193 O PHE A 16 -3.906 -8.803 -3.009 1.00 0.00 O ATOM 194 CB PHE A 16 -3.613 -10.418 -5.794 1.00 0.00 C ATOM 195 CG PHE A 16 -3.077 -10.066 -7.153 1.00 0.00 C ATOM 196 CD1 PHE A 16 -3.784 -10.395 -8.298 1.00 0.00 C ATOM 197 CD2 PHE A 16 -1.865 -9.407 -7.284 1.00 0.00 C ATOM 198 CE1 PHE A 16 -3.293 -10.073 -9.549 1.00 0.00 C ATOM 199 CE2 PHE A 16 -1.369 -9.083 -8.533 1.00 0.00 C ATOM 200 CZ PHE A 16 -2.084 -9.415 -9.666 1.00 0.00 C ATOM 0 H PHE A 16 -3.502 -7.600 -5.053 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.587 -9.582 -5.634 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.779 -10.528 -5.101 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.112 -11.385 -5.848 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.730 -10.909 -8.212 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.302 -9.144 -6.401 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.854 -10.335 -10.434 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.423 -8.570 -8.622 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.699 -9.161 -10.642 1.00 0.00 H new ATOM 210 N ASP A 17 -5.534 -10.342 -3.220 1.00 0.00 N ATOM 211 CA ASP A 17 -5.688 -10.537 -1.783 1.00 0.00 C ATOM 212 C ASP A 17 -4.374 -10.984 -1.151 1.00 0.00 C ATOM 213 O ASP A 17 -3.957 -12.132 -1.308 1.00 0.00 O ATOM 214 CB ASP A 17 -6.781 -11.568 -1.501 1.00 0.00 C ATOM 215 CG ASP A 17 -6.789 -12.696 -2.513 1.00 0.00 C ATOM 216 OD1 ASP A 17 -5.784 -13.435 -2.586 1.00 0.00 O ATOM 217 OD2 ASP A 17 -7.799 -12.841 -3.232 1.00 0.00 O ATOM 0 H ASP A 17 -6.156 -10.913 -3.792 1.00 0.00 H new ATOM 0 HA ASP A 17 -5.977 -9.583 -1.341 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.638 -11.981 -0.502 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.752 -11.073 -1.505 1.00 0.00 H new ATOM 222 N TYR A 18 -3.725 -10.071 -0.438 1.00 0.00 N ATOM 223 CA TYR A 18 -2.456 -10.371 0.215 1.00 0.00 C ATOM 224 C TYR A 18 -2.634 -10.483 1.726 1.00 0.00 C ATOM 225 O TYR A 18 -3.507 -9.841 2.310 1.00 0.00 O ATOM 226 CB TYR A 18 -1.424 -9.289 -0.109 1.00 0.00 C ATOM 227 CG TYR A 18 -0.021 -9.639 0.333 1.00 0.00 C ATOM 228 CD1 TYR A 18 0.818 -10.391 -0.481 1.00 0.00 C ATOM 229 CD2 TYR A 18 0.465 -9.219 1.565 1.00 0.00 C ATOM 230 CE1 TYR A 18 2.100 -10.713 -0.080 1.00 0.00 C ATOM 231 CE2 TYR A 18 1.747 -9.536 1.973 1.00 0.00 C ATOM 232 CZ TYR A 18 2.560 -10.283 1.147 1.00 0.00 C ATOM 233 OH TYR A 18 3.837 -10.602 1.550 1.00 0.00 O ATOM 0 H TYR A 18 -4.056 -9.117 -0.297 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.100 -11.329 -0.163 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.423 -9.110 -1.184 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.725 -8.357 0.369 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.462 -10.729 -1.443 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.170 -8.635 2.215 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.739 -11.299 -0.724 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.110 -9.201 2.933 1.00 0.00 H new ATOM 0 HH TYR A 18 4.027 -10.169 2.409 1.00 0.00 H new ATOM 243 N VAL A 19 -1.797 -11.303 2.354 1.00 0.00 N ATOM 244 CA VAL A 19 -1.859 -11.500 3.798 1.00 0.00 C ATOM 245 C VAL A 19 -0.490 -11.301 4.439 1.00 0.00 C ATOM 246 O VAL A 19 0.457 -12.028 4.143 1.00 0.00 O ATOM 247 CB VAL A 19 -2.380 -12.905 4.151 1.00 0.00 C ATOM 248 CG1 VAL A 19 -1.534 -13.974 3.475 1.00 0.00 C ATOM 249 CG2 VAL A 19 -2.397 -13.103 5.659 1.00 0.00 C ATOM 0 H VAL A 19 -1.068 -11.841 1.886 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.552 -10.755 4.190 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.402 -12.997 3.783 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.917 -14.960 3.736 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.577 -13.842 2.394 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.501 -13.886 3.810 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.768 -14.101 5.891 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.387 -12.991 6.052 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.049 -12.359 6.116 1.00 0.00 H new ATOM 259 N GLY A 20 -0.394 -10.309 5.320 1.00 0.00 N ATOM 260 CA GLY A 20 0.863 -10.032 5.990 1.00 0.00 C ATOM 261 C GLY A 20 1.431 -11.253 6.686 1.00 0.00 C ATOM 262 O GLY A 20 0.923 -11.675 7.725 1.00 0.00 O ATOM 0 H GLY A 20 -1.164 -9.693 5.581 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.586 -9.664 5.262 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.714 -9.237 6.721 1.00 0.00 H new ATOM 266 N ARG A 21 2.485 -11.823 6.112 1.00 0.00 N ATOM 267 CA ARG A 21 3.120 -13.005 6.682 1.00 0.00 C ATOM 268 C ARG A 21 3.541 -12.752 8.127 1.00 0.00 C ATOM 269 O ARG A 21 3.411 -13.625 8.986 1.00 0.00 O ATOM 270 CB ARG A 21 4.337 -13.409 5.848 1.00 0.00 C ATOM 271 CG ARG A 21 3.994 -14.286 4.655 1.00 0.00 C ATOM 272 CD ARG A 21 5.220 -14.572 3.803 1.00 0.00 C ATOM 273 NE ARG A 21 6.102 -15.556 4.425 1.00 0.00 N ATOM 274 CZ ARG A 21 7.378 -15.715 4.091 1.00 0.00 C ATOM 275 NH1 ARG A 21 7.919 -14.957 3.147 1.00 0.00 N ATOM 276 NH2 ARG A 21 8.116 -16.632 4.703 1.00 0.00 N ATOM 0 H ARG A 21 2.918 -11.485 5.252 1.00 0.00 H new ATOM 0 HA ARG A 21 2.394 -13.818 6.670 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.839 -12.509 5.494 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.044 -13.939 6.486 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.565 -15.225 5.004 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.234 -13.795 4.047 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.905 -14.935 2.825 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.770 -13.646 3.637 1.00 0.00 H new ATOM 0 HE ARG A 21 5.717 -16.154 5.156 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.355 -14.250 2.675 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.899 -15.081 2.893 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.704 -17.216 5.431 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.096 -16.753 4.446 1.00 0.00 H new ATOM 290 N THR A 22 4.047 -11.550 8.389 1.00 0.00 N ATOM 291 CA THR A 22 4.489 -11.183 9.728 1.00 0.00 C ATOM 292 C THR A 22 3.784 -9.921 10.212 1.00 0.00 C ATOM 293 O THR A 22 3.052 -9.280 9.459 1.00 0.00 O ATOM 294 CB THR A 22 6.012 -10.956 9.774 1.00 0.00 C ATOM 295 OG1 THR A 22 6.373 -9.872 8.911 1.00 0.00 O ATOM 296 CG2 THR A 22 6.759 -12.214 9.357 1.00 0.00 C ATOM 0 H THR A 22 4.160 -10.815 7.691 1.00 0.00 H new ATOM 0 HA THR A 22 4.233 -12.014 10.385 1.00 0.00 H new ATOM 0 HB THR A 22 6.290 -10.710 10.799 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.342 -9.734 8.948 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.833 -12.030 9.397 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.505 -13.029 10.034 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.475 -12.485 8.340 1.00 0.00 H new ATOM 304 N ALA A 23 4.011 -9.569 11.473 1.00 0.00 N ATOM 305 CA ALA A 23 3.399 -8.382 12.057 1.00 0.00 C ATOM 306 C ALA A 23 3.699 -7.142 11.221 1.00 0.00 C ATOM 307 O ALA A 23 2.818 -6.319 10.976 1.00 0.00 O ATOM 308 CB ALA A 23 3.883 -8.187 13.487 1.00 0.00 C ATOM 0 H ALA A 23 4.614 -10.089 12.110 1.00 0.00 H new ATOM 0 HA ALA A 23 2.319 -8.528 12.068 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.418 -7.297 13.910 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.612 -9.057 14.085 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.966 -8.067 13.491 1.00 0.00 H new ATOM 314 N ARG A 24 4.949 -7.016 10.787 1.00 0.00 N ATOM 315 CA ARG A 24 5.366 -5.875 9.981 1.00 0.00 C ATOM 316 C ARG A 24 4.487 -5.735 8.742 1.00 0.00 C ATOM 317 O ARG A 24 3.942 -4.665 8.473 1.00 0.00 O ATOM 318 CB ARG A 24 6.831 -6.025 9.566 1.00 0.00 C ATOM 319 CG ARG A 24 7.809 -5.867 10.718 1.00 0.00 C ATOM 320 CD ARG A 24 9.157 -5.352 10.237 1.00 0.00 C ATOM 321 NE ARG A 24 10.214 -5.588 11.217 1.00 0.00 N ATOM 322 CZ ARG A 24 10.725 -6.787 11.471 1.00 0.00 C ATOM 323 NH1 ARG A 24 10.279 -7.854 10.822 1.00 0.00 N ATOM 324 NH2 ARG A 24 11.686 -6.922 12.377 1.00 0.00 N ATOM 0 H ARG A 24 5.690 -7.690 10.980 1.00 0.00 H new ATOM 0 HA ARG A 24 5.257 -4.975 10.586 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.973 -7.006 9.112 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.061 -5.283 8.801 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.397 -5.178 11.455 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.942 -6.826 11.218 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.418 -5.840 9.298 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.085 -4.284 10.032 1.00 0.00 H new ATOM 0 HE ARG A 24 10.579 -4.788 11.734 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.541 -7.755 10.125 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.674 -8.773 11.020 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.032 -6.104 12.879 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.078 -7.843 12.571 1.00 0.00 H new ATOM 338 N GLU A 25 4.354 -6.824 7.990 1.00 0.00 N ATOM 339 CA GLU A 25 3.542 -6.821 6.779 1.00 0.00 C ATOM 340 C GLU A 25 2.076 -6.553 7.107 1.00 0.00 C ATOM 341 O GLU A 25 1.688 -6.510 8.275 1.00 0.00 O ATOM 342 CB GLU A 25 3.676 -8.157 6.046 1.00 0.00 C ATOM 343 CG GLU A 25 5.081 -8.433 5.535 1.00 0.00 C ATOM 344 CD GLU A 25 5.233 -9.834 4.976 1.00 0.00 C ATOM 345 OE1 GLU A 25 4.425 -10.215 4.103 1.00 0.00 O ATOM 346 OE2 GLU A 25 6.159 -10.550 5.410 1.00 0.00 O ATOM 0 H GLU A 25 4.798 -7.718 8.198 1.00 0.00 H new ATOM 0 HA GLU A 25 3.903 -6.022 6.132 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.378 -8.962 6.718 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.983 -8.171 5.205 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.331 -7.708 4.761 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.794 -8.291 6.347 1.00 0.00 H new ATOM 353 N LEU A 26 1.267 -6.374 6.069 1.00 0.00 N ATOM 354 CA LEU A 26 -0.157 -6.110 6.246 1.00 0.00 C ATOM 355 C LEU A 26 -0.997 -7.095 5.440 1.00 0.00 C ATOM 356 O LEU A 26 -0.582 -7.558 4.378 1.00 0.00 O ATOM 357 CB LEU A 26 -0.486 -4.677 5.823 1.00 0.00 C ATOM 358 CG LEU A 26 0.244 -3.569 6.583 1.00 0.00 C ATOM 359 CD1 LEU A 26 -0.041 -2.213 5.955 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.158 -3.574 8.051 1.00 0.00 C ATOM 0 H LEU A 26 1.572 -6.407 5.096 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.397 -6.235 7.302 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.260 -4.572 4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.559 -4.523 5.938 1.00 0.00 H new ATOM 0 HG LEU A 26 1.316 -3.758 6.520 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.487 -1.437 6.509 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.298 -2.213 4.919 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.113 -2.016 5.986 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.371 -2.779 8.576 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.233 -3.411 8.135 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.099 -4.536 8.495 1.00 0.00 H new ATOM 372 N SER A 27 -2.183 -7.411 5.952 1.00 0.00 N ATOM 373 CA SER A 27 -3.082 -8.342 5.282 1.00 0.00 C ATOM 374 C SER A 27 -4.306 -7.616 4.733 1.00 0.00 C ATOM 375 O SER A 27 -5.099 -7.053 5.488 1.00 0.00 O ATOM 376 CB SER A 27 -3.519 -9.446 6.247 1.00 0.00 C ATOM 377 OG SER A 27 -4.445 -8.953 7.200 1.00 0.00 O ATOM 0 H SER A 27 -2.543 -7.035 6.829 1.00 0.00 H new ATOM 0 HA SER A 27 -2.544 -8.791 4.447 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.970 -10.265 5.687 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.647 -9.852 6.759 1.00 0.00 H new ATOM 0 HG SER A 27 -4.819 -8.104 6.884 1.00 0.00 H new ATOM 383 N PHE A 28 -4.454 -7.634 3.412 1.00 0.00 N ATOM 384 CA PHE A 28 -5.581 -6.976 2.760 1.00 0.00 C ATOM 385 C PHE A 28 -6.211 -7.889 1.713 1.00 0.00 C ATOM 386 O PHE A 28 -5.726 -8.993 1.461 1.00 0.00 O ATOM 387 CB PHE A 28 -5.128 -5.669 2.108 1.00 0.00 C ATOM 388 CG PHE A 28 -3.866 -5.805 1.304 1.00 0.00 C ATOM 389 CD1 PHE A 28 -3.909 -6.258 -0.005 1.00 0.00 C ATOM 390 CD2 PHE A 28 -2.638 -5.482 1.858 1.00 0.00 C ATOM 391 CE1 PHE A 28 -2.750 -6.385 -0.747 1.00 0.00 C ATOM 392 CE2 PHE A 28 -1.476 -5.606 1.120 1.00 0.00 C ATOM 393 CZ PHE A 28 -1.532 -6.059 -0.184 1.00 0.00 C ATOM 0 H PHE A 28 -3.808 -8.097 2.772 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.330 -6.753 3.520 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.924 -5.301 1.461 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.976 -4.919 2.884 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.859 -6.515 -0.450 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.588 -5.129 2.878 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.797 -6.739 -1.766 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.525 -5.349 1.562 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.625 -6.158 -0.762 1.00 0.00 H new ATOM 403 N LYS A 29 -7.295 -7.421 1.104 1.00 0.00 N ATOM 404 CA LYS A 29 -7.993 -8.193 0.083 1.00 0.00 C ATOM 405 C LYS A 29 -8.029 -7.436 -1.241 1.00 0.00 C ATOM 406 O LYS A 29 -7.956 -6.208 -1.269 1.00 0.00 O ATOM 407 CB LYS A 29 -9.419 -8.510 0.539 1.00 0.00 C ATOM 408 CG LYS A 29 -9.483 -9.480 1.706 1.00 0.00 C ATOM 409 CD LYS A 29 -9.307 -10.918 1.246 1.00 0.00 C ATOM 410 CE LYS A 29 -8.755 -11.795 2.358 1.00 0.00 C ATOM 411 NZ LYS A 29 -9.831 -12.290 3.261 1.00 0.00 N ATOM 0 H LYS A 29 -7.710 -6.510 1.300 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.450 -9.126 -0.066 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.916 -7.582 0.821 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.976 -8.927 -0.300 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.707 -9.231 2.430 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.441 -9.375 2.216 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.266 -11.314 0.911 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.633 -10.947 0.390 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.227 -12.644 1.923 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.026 -11.230 2.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.413 -12.884 4.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.318 -11.481 3.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.514 -12.851 2.713 1.00 0.00 H new ATOM 425 N LYS A 30 -8.141 -8.178 -2.338 1.00 0.00 N ATOM 426 CA LYS A 30 -8.189 -7.578 -3.666 1.00 0.00 C ATOM 427 C LYS A 30 -9.247 -6.480 -3.730 1.00 0.00 C ATOM 428 O LYS A 30 -10.363 -6.652 -3.242 1.00 0.00 O ATOM 429 CB LYS A 30 -8.484 -8.647 -4.721 1.00 0.00 C ATOM 430 CG LYS A 30 -8.601 -8.094 -6.131 1.00 0.00 C ATOM 431 CD LYS A 30 -8.484 -9.194 -7.173 1.00 0.00 C ATOM 432 CE LYS A 30 -8.594 -8.639 -8.584 1.00 0.00 C ATOM 433 NZ LYS A 30 -10.012 -8.517 -9.024 1.00 0.00 N ATOM 0 H LYS A 30 -8.200 -9.196 -2.333 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.216 -7.132 -3.871 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.693 -9.396 -4.698 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.412 -9.156 -4.461 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.558 -7.584 -6.245 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.822 -7.350 -6.297 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.529 -9.707 -7.056 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.266 -9.935 -7.010 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.115 -7.661 -8.628 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.055 -9.289 -9.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.044 -8.135 -9.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.463 -9.454 -9.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.521 -7.876 -8.382 1.00 0.00 H new ATOM 447 N GLY A 31 -8.888 -5.353 -4.336 1.00 0.00 N ATOM 448 CA GLY A 31 -9.818 -4.245 -4.453 1.00 0.00 C ATOM 449 C GLY A 31 -9.828 -3.363 -3.221 1.00 0.00 C ATOM 450 O GLY A 31 -10.199 -2.192 -3.290 1.00 0.00 O ATOM 0 H GLY A 31 -7.970 -5.187 -4.748 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.555 -3.644 -5.324 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.822 -4.634 -4.626 1.00 0.00 H new ATOM 454 N ALA A 32 -9.420 -3.927 -2.088 1.00 0.00 N ATOM 455 CA ALA A 32 -9.382 -3.184 -0.835 1.00 0.00 C ATOM 456 C ALA A 32 -8.534 -1.924 -0.969 1.00 0.00 C ATOM 457 O ALA A 32 -7.380 -1.983 -1.393 1.00 0.00 O ATOM 458 CB ALA A 32 -8.849 -4.065 0.285 1.00 0.00 C ATOM 0 H ALA A 32 -9.111 -4.896 -2.013 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.400 -2.880 -0.590 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.826 -3.497 1.215 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.498 -4.933 0.406 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.841 -4.397 0.038 1.00 0.00 H new ATOM 464 N SER A 33 -9.114 -0.784 -0.605 1.00 0.00 N ATOM 465 CA SER A 33 -8.413 0.491 -0.689 1.00 0.00 C ATOM 466 C SER A 33 -7.342 0.595 0.393 1.00 0.00 C ATOM 467 O SER A 33 -7.616 0.389 1.576 1.00 0.00 O ATOM 468 CB SER A 33 -9.402 1.651 -0.557 1.00 0.00 C ATOM 469 OG SER A 33 -8.723 2.892 -0.461 1.00 0.00 O ATOM 0 H SER A 33 -10.068 -0.718 -0.249 1.00 0.00 H new ATOM 0 HA SER A 33 -7.927 0.546 -1.663 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.069 1.664 -1.419 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.024 1.504 0.326 1.00 0.00 H new ATOM 0 HG SER A 33 -9.377 3.617 -0.379 1.00 0.00 H new ATOM 475 N LEU A 34 -6.121 0.915 -0.021 1.00 0.00 N ATOM 476 CA LEU A 34 -5.007 1.047 0.912 1.00 0.00 C ATOM 477 C LEU A 34 -4.358 2.422 0.795 1.00 0.00 C ATOM 478 O LEU A 34 -4.192 2.951 -0.306 1.00 0.00 O ATOM 479 CB LEU A 34 -3.967 -0.044 0.653 1.00 0.00 C ATOM 480 CG LEU A 34 -4.503 -1.474 0.563 1.00 0.00 C ATOM 481 CD1 LEU A 34 -3.602 -2.327 -0.316 1.00 0.00 C ATOM 482 CD2 LEU A 34 -4.629 -2.084 1.951 1.00 0.00 C ATOM 0 H LEU A 34 -5.877 1.088 -0.996 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.398 0.935 1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.450 0.188 -0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.223 -0.005 1.449 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.494 -1.443 0.110 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.999 -3.341 -0.368 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.562 -1.901 -1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.598 -2.352 0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.012 -3.101 1.868 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.650 -2.102 2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.315 -1.486 2.550 1.00 0.00 H new ATOM 494 N LEU A 35 -3.990 2.996 1.935 1.00 0.00 N ATOM 495 CA LEU A 35 -3.356 4.310 1.960 1.00 0.00 C ATOM 496 C LEU A 35 -1.844 4.182 2.112 1.00 0.00 C ATOM 497 O LEU A 35 -1.355 3.499 3.014 1.00 0.00 O ATOM 498 CB LEU A 35 -3.926 5.151 3.104 1.00 0.00 C ATOM 499 CG LEU A 35 -3.989 6.659 2.861 1.00 0.00 C ATOM 500 CD1 LEU A 35 -5.060 6.990 1.833 1.00 0.00 C ATOM 501 CD2 LEU A 35 -4.253 7.399 4.165 1.00 0.00 C ATOM 0 H LEU A 35 -4.120 2.573 2.854 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.566 4.806 1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.933 4.796 3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.324 4.972 3.995 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.025 6.985 2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.090 8.068 1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.829 6.490 0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.030 6.650 2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.295 8.471 3.973 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.203 7.068 4.585 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.451 7.188 4.872 1.00 0.00 H new ATOM 513 N LEU A 36 -1.107 4.844 1.227 1.00 0.00 N ATOM 514 CA LEU A 36 0.351 4.807 1.264 1.00 0.00 C ATOM 515 C LEU A 36 0.916 6.124 1.785 1.00 0.00 C ATOM 516 O LEU A 36 0.440 7.201 1.426 1.00 0.00 O ATOM 517 CB LEU A 36 0.908 4.515 -0.130 1.00 0.00 C ATOM 518 CG LEU A 36 0.337 3.285 -0.837 1.00 0.00 C ATOM 519 CD1 LEU A 36 1.110 2.997 -2.115 1.00 0.00 C ATOM 520 CD2 LEU A 36 0.363 2.077 0.088 1.00 0.00 C ATOM 0 H LEU A 36 -1.495 5.413 0.475 1.00 0.00 H new ATOM 0 HA LEU A 36 0.653 4.010 1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.731 5.387 -0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.988 4.394 -0.050 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.700 3.491 -1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.690 2.118 -2.604 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.039 3.854 -2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.157 2.812 -1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.047 1.211 -0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.391 1.868 0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.236 2.285 0.975 1.00 0.00 H new ATOM 532 N TYR A 37 1.936 6.031 2.631 1.00 0.00 N ATOM 533 CA TYR A 37 2.567 7.215 3.201 1.00 0.00 C ATOM 534 C TYR A 37 3.964 7.420 2.623 1.00 0.00 C ATOM 535 O TYR A 37 4.310 8.517 2.184 1.00 0.00 O ATOM 536 CB TYR A 37 2.646 7.094 4.724 1.00 0.00 C ATOM 537 CG TYR A 37 1.298 6.940 5.390 1.00 0.00 C ATOM 538 CD1 TYR A 37 0.261 7.825 5.117 1.00 0.00 C ATOM 539 CD2 TYR A 37 1.059 5.911 6.293 1.00 0.00 C ATOM 540 CE1 TYR A 37 -0.972 7.689 5.723 1.00 0.00 C ATOM 541 CE2 TYR A 37 -0.171 5.767 6.903 1.00 0.00 C ATOM 542 CZ TYR A 37 -1.184 6.659 6.615 1.00 0.00 C ATOM 543 OH TYR A 37 -2.411 6.519 7.222 1.00 0.00 O ATOM 0 H TYR A 37 2.343 5.147 2.937 1.00 0.00 H new ATOM 0 HA TYR A 37 1.956 8.080 2.943 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.268 6.237 4.980 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.141 7.978 5.125 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.423 8.633 4.419 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.850 5.212 6.522 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.766 8.386 5.500 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.340 4.961 7.602 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.929 7.343 7.107 1.00 0.00 H new ATOM 553 N GLN A 38 4.760 6.356 2.626 1.00 0.00 N ATOM 554 CA GLN A 38 6.120 6.419 2.102 1.00 0.00 C ATOM 555 C GLN A 38 6.563 5.058 1.574 1.00 0.00 C ATOM 556 O GLN A 38 5.922 4.041 1.839 1.00 0.00 O ATOM 557 CB GLN A 38 7.086 6.898 3.187 1.00 0.00 C ATOM 558 CG GLN A 38 7.273 8.406 3.211 1.00 0.00 C ATOM 559 CD GLN A 38 8.363 8.874 2.267 1.00 0.00 C ATOM 560 OE1 GLN A 38 9.187 8.082 1.810 1.00 0.00 O ATOM 561 NE2 GLN A 38 8.374 10.169 1.970 1.00 0.00 N ATOM 0 H GLN A 38 4.488 5.441 2.985 1.00 0.00 H new ATOM 0 HA GLN A 38 6.132 7.130 1.276 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.719 6.570 4.159 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.055 6.422 3.035 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.333 8.889 2.943 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.516 8.722 4.226 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.672 10.790 2.371 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.085 10.542 1.341 1.00 0.00 H new ATOM 570 N ARG A 39 7.662 5.048 0.828 1.00 0.00 N ATOM 571 CA ARG A 39 8.190 3.812 0.262 1.00 0.00 C ATOM 572 C ARG A 39 9.365 3.295 1.087 1.00 0.00 C ATOM 573 O ARG A 39 10.463 3.847 1.036 1.00 0.00 O ATOM 574 CB ARG A 39 8.630 4.036 -1.186 1.00 0.00 C ATOM 575 CG ARG A 39 9.089 2.768 -1.887 1.00 0.00 C ATOM 576 CD ARG A 39 7.934 2.067 -2.584 1.00 0.00 C ATOM 577 NE ARG A 39 8.397 1.130 -3.604 1.00 0.00 N ATOM 578 CZ ARG A 39 8.770 1.498 -4.825 1.00 0.00 C ATOM 579 NH1 ARG A 39 8.734 2.776 -5.175 1.00 0.00 N ATOM 580 NH2 ARG A 39 9.180 0.587 -5.697 1.00 0.00 N ATOM 0 H ARG A 39 8.204 5.881 0.601 1.00 0.00 H new ATOM 0 HA ARG A 39 7.397 3.065 0.282 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.801 4.470 -1.745 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.441 4.764 -1.202 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.861 3.013 -2.617 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.541 2.093 -1.160 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.336 1.533 -1.846 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.283 2.811 -3.044 1.00 0.00 H new ATOM 0 HE ARG A 39 8.436 0.139 -3.366 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.420 3.479 -4.506 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.021 3.056 -6.113 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.209 -0.397 -5.431 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.466 0.870 -6.634 1.00 0.00 H new ATOM 594 N ALA A 40 9.124 2.232 1.847 1.00 0.00 N ATOM 595 CA ALA A 40 10.161 1.639 2.682 1.00 0.00 C ATOM 596 C ALA A 40 11.220 0.944 1.832 1.00 0.00 C ATOM 597 O ALA A 40 12.410 0.995 2.142 1.00 0.00 O ATOM 598 CB ALA A 40 9.548 0.658 3.670 1.00 0.00 C ATOM 0 H ALA A 40 8.219 1.764 1.902 1.00 0.00 H new ATOM 0 HA ALA A 40 10.647 2.441 3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.335 0.223 4.287 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.835 1.181 4.307 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.035 -0.134 3.125 1.00 0.00 H new ATOM 604 N SER A 41 10.778 0.295 0.760 1.00 0.00 N ATOM 605 CA SER A 41 11.687 -0.414 -0.133 1.00 0.00 C ATOM 606 C SER A 41 11.093 -0.530 -1.533 1.00 0.00 C ATOM 607 O SER A 41 9.935 -0.179 -1.759 1.00 0.00 O ATOM 608 CB SER A 41 11.995 -1.807 0.420 1.00 0.00 C ATOM 609 OG SER A 41 13.258 -2.267 -0.028 1.00 0.00 O ATOM 0 H SER A 41 9.796 0.245 0.489 1.00 0.00 H new ATOM 0 HA SER A 41 12.613 0.157 -0.197 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.980 -1.780 1.510 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.219 -2.505 0.108 1.00 0.00 H new ATOM 0 HG SER A 41 13.431 -3.158 0.341 1.00 0.00 H new ATOM 615 N ASP A 42 11.895 -1.025 -2.470 1.00 0.00 N ATOM 616 CA ASP A 42 11.450 -1.189 -3.849 1.00 0.00 C ATOM 617 C ASP A 42 10.338 -2.230 -3.941 1.00 0.00 C ATOM 618 O ASP A 42 9.530 -2.209 -4.870 1.00 0.00 O ATOM 619 CB ASP A 42 12.623 -1.599 -4.740 1.00 0.00 C ATOM 620 CG ASP A 42 13.885 -0.818 -4.431 1.00 0.00 C ATOM 621 OD1 ASP A 42 13.789 0.411 -4.235 1.00 0.00 O ATOM 622 OD2 ASP A 42 14.970 -1.436 -4.386 1.00 0.00 O ATOM 0 H ASP A 42 12.857 -1.320 -2.299 1.00 0.00 H new ATOM 0 HA ASP A 42 11.058 -0.233 -4.194 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.818 -2.664 -4.612 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.352 -1.448 -5.785 1.00 0.00 H new ATOM 627 N ASP A 43 10.303 -3.138 -2.972 1.00 0.00 N ATOM 628 CA ASP A 43 9.291 -4.187 -2.944 1.00 0.00 C ATOM 629 C ASP A 43 8.468 -4.113 -1.662 1.00 0.00 C ATOM 630 O ASP A 43 7.913 -5.115 -1.210 1.00 0.00 O ATOM 631 CB ASP A 43 9.947 -5.563 -3.065 1.00 0.00 C ATOM 632 CG ASP A 43 9.025 -6.592 -3.688 1.00 0.00 C ATOM 633 OD1 ASP A 43 9.005 -6.695 -4.933 1.00 0.00 O ATOM 634 OD2 ASP A 43 8.324 -7.296 -2.932 1.00 0.00 O ATOM 0 H ASP A 43 10.964 -3.169 -2.196 1.00 0.00 H new ATOM 0 HA ASP A 43 8.624 -4.036 -3.793 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.852 -5.479 -3.667 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.252 -5.905 -2.076 1.00 0.00 H new ATOM 639 N TRP A 44 8.394 -2.922 -1.080 1.00 0.00 N ATOM 640 CA TRP A 44 7.640 -2.718 0.152 1.00 0.00 C ATOM 641 C TRP A 44 7.159 -1.275 0.263 1.00 0.00 C ATOM 642 O TRP A 44 7.747 -0.368 -0.327 1.00 0.00 O ATOM 643 CB TRP A 44 8.499 -3.077 1.365 1.00 0.00 C ATOM 644 CG TRP A 44 8.739 -4.549 1.508 1.00 0.00 C ATOM 645 CD1 TRP A 44 9.937 -5.197 1.414 1.00 0.00 C ATOM 646 CD2 TRP A 44 7.755 -5.557 1.770 1.00 0.00 C ATOM 647 NE1 TRP A 44 9.758 -6.547 1.600 1.00 0.00 N ATOM 648 CE2 TRP A 44 8.429 -6.793 1.821 1.00 0.00 C ATOM 649 CE3 TRP A 44 6.372 -5.534 1.967 1.00 0.00 C ATOM 650 CZ2 TRP A 44 7.764 -7.993 2.061 1.00 0.00 C ATOM 651 CZ3 TRP A 44 5.714 -6.726 2.204 1.00 0.00 C ATOM 652 CH2 TRP A 44 6.410 -7.941 2.250 1.00 0.00 C ATOM 0 H TRP A 44 8.847 -2.082 -1.441 1.00 0.00 H new ATOM 0 HA TRP A 44 6.768 -3.371 0.127 1.00 0.00 H new ATOM 0 HB2 TRP A 44 9.458 -2.566 1.286 1.00 0.00 H new ATOM 0 HB3 TRP A 44 8.014 -2.706 2.268 1.00 0.00 H new ATOM 0 HD1 TRP A 44 10.886 -4.719 1.222 1.00 0.00 H new ATOM 0 HE1 TRP A 44 10.495 -7.251 1.577 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.827 -4.602 1.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 8.298 -8.931 2.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 4.645 -6.721 2.356 1.00 0.00 H new ATOM 0 HH2 TRP A 44 5.867 -8.855 2.438 1.00 0.00 H new ATOM 663 N TRP A 45 6.088 -1.070 1.021 1.00 0.00 N ATOM 664 CA TRP A 45 5.529 0.264 1.209 1.00 0.00 C ATOM 665 C TRP A 45 5.161 0.499 2.670 1.00 0.00 C ATOM 666 O TRP A 45 4.969 -0.449 3.430 1.00 0.00 O ATOM 667 CB TRP A 45 4.296 0.452 0.323 1.00 0.00 C ATOM 668 CG TRP A 45 4.630 0.864 -1.079 1.00 0.00 C ATOM 669 CD1 TRP A 45 4.990 0.044 -2.110 1.00 0.00 C ATOM 670 CD2 TRP A 45 4.635 2.197 -1.602 1.00 0.00 C ATOM 671 NE1 TRP A 45 5.219 0.787 -3.243 1.00 0.00 N ATOM 672 CE2 TRP A 45 5.008 2.110 -2.958 1.00 0.00 C ATOM 673 CE3 TRP A 45 4.360 3.454 -1.058 1.00 0.00 C ATOM 674 CZ2 TRP A 45 5.112 3.234 -3.774 1.00 0.00 C ATOM 675 CZ3 TRP A 45 4.465 4.568 -1.869 1.00 0.00 C ATOM 676 CH2 TRP A 45 4.837 4.452 -3.215 1.00 0.00 C ATOM 0 H TRP A 45 5.589 -1.810 1.515 1.00 0.00 H new ATOM 0 HA TRP A 45 6.288 0.993 0.923 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.731 -0.480 0.296 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.647 1.205 0.771 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.081 -1.030 -2.045 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.501 0.414 -4.150 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.071 3.553 -0.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 5.400 3.147 -4.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.257 5.545 -1.458 1.00 0.00 H new ATOM 0 HH2 TRP A 45 4.908 5.342 -3.823 1.00 0.00 H new ATOM 687 N GLU A 46 5.065 1.768 3.054 1.00 0.00 N ATOM 688 CA GLU A 46 4.721 2.126 4.425 1.00 0.00 C ATOM 689 C GLU A 46 3.402 2.892 4.473 1.00 0.00 C ATOM 690 O GLU A 46 3.376 4.114 4.336 1.00 0.00 O ATOM 691 CB GLU A 46 5.835 2.968 5.052 1.00 0.00 C ATOM 692 CG GLU A 46 7.171 2.248 5.128 1.00 0.00 C ATOM 693 CD GLU A 46 8.014 2.707 6.302 1.00 0.00 C ATOM 694 OE1 GLU A 46 7.445 2.928 7.391 1.00 0.00 O ATOM 695 OE2 GLU A 46 9.244 2.844 6.132 1.00 0.00 O ATOM 0 H GLU A 46 5.220 2.564 2.436 1.00 0.00 H new ATOM 0 HA GLU A 46 4.607 1.204 4.996 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.957 3.883 4.473 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.534 3.264 6.057 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.997 1.175 5.208 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.722 2.414 4.202 1.00 0.00 H new ATOM 702 N GLY A 47 2.307 2.163 4.667 1.00 0.00 N ATOM 703 CA GLY A 47 1.000 2.789 4.729 1.00 0.00 C ATOM 704 C GLY A 47 0.180 2.306 5.908 1.00 0.00 C ATOM 705 O GLY A 47 0.730 1.840 6.906 1.00 0.00 O ATOM 0 H GLY A 47 2.302 1.150 4.782 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.121 3.870 4.794 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.458 2.584 3.806 1.00 0.00 H new ATOM 709 N ARG A 48 -1.140 2.418 5.795 1.00 0.00 N ATOM 710 CA ARG A 48 -2.037 1.991 6.862 1.00 0.00 C ATOM 711 C ARG A 48 -3.180 1.148 6.307 1.00 0.00 C ATOM 712 O ARG A 48 -3.652 1.380 5.193 1.00 0.00 O ATOM 713 CB ARG A 48 -2.598 3.207 7.603 1.00 0.00 C ATOM 714 CG ARG A 48 -3.780 2.880 8.501 1.00 0.00 C ATOM 715 CD ARG A 48 -4.299 4.121 9.211 1.00 0.00 C ATOM 716 NE ARG A 48 -3.306 4.689 10.118 1.00 0.00 N ATOM 717 CZ ARG A 48 -3.556 5.700 10.942 1.00 0.00 C ATOM 718 NH1 ARG A 48 -4.762 6.251 10.973 1.00 0.00 N ATOM 719 NH2 ARG A 48 -2.600 6.162 11.738 1.00 0.00 N ATOM 0 H ARG A 48 -1.611 2.801 4.975 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.465 1.380 7.561 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.806 3.652 8.206 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.903 3.958 6.874 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.579 2.439 7.906 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.483 2.135 9.239 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.584 4.869 8.471 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.199 3.868 9.772 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.368 4.287 10.119 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.500 5.898 10.363 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.952 7.027 11.607 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.671 5.741 11.718 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -2.794 6.939 12.370 1.00 0.00 H new ATOM 733 N HIS A 49 -3.621 0.168 7.089 1.00 0.00 N ATOM 734 CA HIS A 49 -4.710 -0.710 6.675 1.00 0.00 C ATOM 735 C HIS A 49 -5.714 -0.901 7.808 1.00 0.00 C ATOM 736 O HIS A 49 -5.482 -1.679 8.732 1.00 0.00 O ATOM 737 CB HIS A 49 -4.159 -2.066 6.233 1.00 0.00 C ATOM 738 CG HIS A 49 -5.224 -3.057 5.876 1.00 0.00 C ATOM 739 ND1 HIS A 49 -5.394 -4.252 6.543 1.00 0.00 N ATOM 740 CD2 HIS A 49 -6.178 -3.025 4.916 1.00 0.00 C ATOM 741 CE1 HIS A 49 -6.405 -4.913 6.008 1.00 0.00 C ATOM 742 NE2 HIS A 49 -6.899 -4.189 5.019 1.00 0.00 N ATOM 0 H HIS A 49 -3.241 -0.038 8.013 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.222 -0.242 5.834 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.506 -1.921 5.372 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -3.544 -2.478 7.034 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.342 -2.231 4.202 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -6.766 -5.880 6.325 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -7.688 -4.452 4.428 1.00 0.00 H new ATOM 751 N ASN A 50 -6.831 -0.185 7.729 1.00 0.00 N ATOM 752 CA ASN A 50 -7.871 -0.274 8.748 1.00 0.00 C ATOM 753 C ASN A 50 -7.329 0.133 10.115 1.00 0.00 C ATOM 754 O ASN A 50 -7.782 -0.361 11.146 1.00 0.00 O ATOM 755 CB ASN A 50 -8.430 -1.697 8.812 1.00 0.00 C ATOM 756 CG ASN A 50 -9.664 -1.794 9.688 1.00 0.00 C ATOM 757 OD1 ASN A 50 -9.701 -2.571 10.642 1.00 0.00 O ATOM 758 ND2 ASN A 50 -10.681 -1.004 9.366 1.00 0.00 N ATOM 0 H ASN A 50 -7.039 0.463 6.970 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.672 0.413 8.475 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.675 -2.034 7.805 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.662 -2.369 9.195 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -11.538 -1.025 9.918 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -10.605 -0.376 8.566 1.00 0.00 H new ATOM 765 N GLY A 51 -6.356 1.040 10.113 1.00 0.00 N ATOM 766 CA GLY A 51 -5.769 1.499 11.359 1.00 0.00 C ATOM 767 C GLY A 51 -4.488 0.764 11.701 1.00 0.00 C ATOM 768 O GLY A 51 -3.807 1.108 12.668 1.00 0.00 O ATOM 0 H GLY A 51 -5.964 1.464 9.272 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.564 2.567 11.289 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.488 1.365 12.167 1.00 0.00 H new ATOM 772 N ILE A 52 -4.159 -0.250 10.909 1.00 0.00 N ATOM 773 CA ILE A 52 -2.952 -1.036 11.134 1.00 0.00 C ATOM 774 C ILE A 52 -1.835 -0.610 10.188 1.00 0.00 C ATOM 775 O ILE A 52 -1.938 -0.779 8.973 1.00 0.00 O ATOM 776 CB ILE A 52 -3.218 -2.542 10.952 1.00 0.00 C ATOM 777 CG1 ILE A 52 -4.300 -3.012 11.926 1.00 0.00 C ATOM 778 CG2 ILE A 52 -1.935 -3.334 11.154 1.00 0.00 C ATOM 779 CD1 ILE A 52 -5.704 -2.887 11.376 1.00 0.00 C ATOM 0 H ILE A 52 -4.712 -0.547 10.105 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.643 -0.852 12.163 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.572 -2.714 9.935 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.113 -4.053 12.189 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.226 -2.432 12.846 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.139 -4.397 11.022 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.191 -3.014 10.424 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.554 -3.160 12.160 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.419 -3.238 12.120 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.910 -1.843 11.139 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.796 -3.489 10.472 1.00 0.00 H new ATOM 791 N ASP A 53 -0.767 -0.059 10.753 1.00 0.00 N ATOM 792 CA ASP A 53 0.373 0.389 9.960 1.00 0.00 C ATOM 793 C ASP A 53 1.437 -0.700 9.875 1.00 0.00 C ATOM 794 O ASP A 53 1.849 -1.261 10.890 1.00 0.00 O ATOM 795 CB ASP A 53 0.973 1.660 10.563 1.00 0.00 C ATOM 796 CG ASP A 53 1.713 1.393 11.858 1.00 0.00 C ATOM 797 OD1 ASP A 53 1.045 1.248 12.903 1.00 0.00 O ATOM 798 OD2 ASP A 53 2.960 1.330 11.828 1.00 0.00 O ATOM 0 H ASP A 53 -0.666 0.089 11.757 1.00 0.00 H new ATOM 0 HA ASP A 53 0.020 0.606 8.952 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.656 2.112 9.844 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.178 2.383 10.745 1.00 0.00 H new ATOM 803 N GLY A 54 1.879 -0.996 8.656 1.00 0.00 N ATOM 804 CA GLY A 54 2.890 -2.018 8.462 1.00 0.00 C ATOM 805 C GLY A 54 3.584 -1.899 7.119 1.00 0.00 C ATOM 806 O GLY A 54 3.899 -0.796 6.671 1.00 0.00 O ATOM 0 H GLY A 54 1.555 -0.546 7.800 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.631 -1.947 9.258 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.428 -3.002 8.543 1.00 0.00 H new ATOM 810 N LEU A 55 3.824 -3.036 6.476 1.00 0.00 N ATOM 811 CA LEU A 55 4.487 -3.055 5.177 1.00 0.00 C ATOM 812 C LEU A 55 3.548 -3.578 4.094 1.00 0.00 C ATOM 813 O LEU A 55 2.845 -4.568 4.294 1.00 0.00 O ATOM 814 CB LEU A 55 5.746 -3.922 5.238 1.00 0.00 C ATOM 815 CG LEU A 55 6.908 -3.362 6.060 1.00 0.00 C ATOM 816 CD1 LEU A 55 8.057 -4.357 6.107 1.00 0.00 C ATOM 817 CD2 LEU A 55 7.375 -2.032 5.487 1.00 0.00 C ATOM 0 H LEU A 55 3.569 -3.957 6.833 1.00 0.00 H new ATOM 0 HA LEU A 55 4.769 -2.033 4.925 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.473 -4.895 5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.096 -4.091 4.220 1.00 0.00 H new ATOM 0 HG LEU A 55 6.559 -3.193 7.079 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.874 -3.941 6.696 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.716 -5.286 6.565 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.406 -4.558 5.094 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.202 -1.649 6.085 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.706 -2.175 4.458 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.552 -1.318 5.507 1.00 0.00 H new ATOM 829 N ILE A 56 3.545 -2.907 2.947 1.00 0.00 N ATOM 830 CA ILE A 56 2.695 -3.305 1.832 1.00 0.00 C ATOM 831 C ILE A 56 3.525 -3.601 0.587 1.00 0.00 C ATOM 832 O ILE A 56 4.370 -2.807 0.171 1.00 0.00 O ATOM 833 CB ILE A 56 1.658 -2.217 1.498 1.00 0.00 C ATOM 834 CG1 ILE A 56 0.708 -2.008 2.678 1.00 0.00 C ATOM 835 CG2 ILE A 56 0.881 -2.593 0.245 1.00 0.00 C ATOM 836 CD1 ILE A 56 0.019 -0.661 2.668 1.00 0.00 C ATOM 0 H ILE A 56 4.122 -2.085 2.766 1.00 0.00 H new ATOM 0 HA ILE A 56 2.172 -4.210 2.141 1.00 0.00 H new ATOM 0 HB ILE A 56 2.183 -1.281 1.309 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.048 -2.794 2.669 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.267 -2.114 3.608 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.152 -1.814 0.022 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.570 -2.696 -0.593 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.364 -3.539 0.408 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.639 -0.583 3.533 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.767 0.131 2.708 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.568 -0.559 1.755 1.00 0.00 H new ATOM 848 N PRO A 57 3.279 -4.769 -0.024 1.00 0.00 N ATOM 849 CA PRO A 57 3.991 -5.196 -1.232 1.00 0.00 C ATOM 850 C PRO A 57 3.611 -4.365 -2.453 1.00 0.00 C ATOM 851 O PRO A 57 2.454 -3.975 -2.616 1.00 0.00 O ATOM 852 CB PRO A 57 3.544 -6.648 -1.413 1.00 0.00 C ATOM 853 CG PRO A 57 2.218 -6.723 -0.739 1.00 0.00 C ATOM 854 CD PRO A 57 2.286 -5.763 0.417 1.00 0.00 C ATOM 0 HA PRO A 57 5.070 -5.077 -1.132 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.467 -6.910 -2.468 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.256 -7.340 -0.964 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.416 -6.452 -1.425 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.013 -7.736 -0.393 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.318 -5.303 0.615 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.596 -6.261 1.335 1.00 0.00 H new ATOM 862 N HIS A 58 4.592 -4.097 -3.309 1.00 0.00 N ATOM 863 CA HIS A 58 4.359 -3.312 -4.517 1.00 0.00 C ATOM 864 C HIS A 58 3.912 -4.208 -5.669 1.00 0.00 C ATOM 865 O HIS A 58 3.659 -3.731 -6.775 1.00 0.00 O ATOM 866 CB HIS A 58 5.627 -2.552 -4.909 1.00 0.00 C ATOM 867 CG HIS A 58 5.449 -1.669 -6.105 1.00 0.00 C ATOM 868 ND1 HIS A 58 5.201 -0.315 -6.011 1.00 0.00 N ATOM 869 CD2 HIS A 58 5.487 -1.952 -7.428 1.00 0.00 C ATOM 870 CE1 HIS A 58 5.092 0.195 -7.225 1.00 0.00 C ATOM 871 NE2 HIS A 58 5.262 -0.777 -8.103 1.00 0.00 N ATOM 0 H HIS A 58 5.555 -4.411 -3.189 1.00 0.00 H new ATOM 0 HA HIS A 58 3.565 -2.595 -4.308 1.00 0.00 H new ATOM 0 HB2 HIS A 58 5.953 -1.945 -4.064 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.423 -3.269 -5.112 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.662 -2.921 -7.871 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.897 1.231 -7.460 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.231 -0.672 -9.117 1.00 0.00 H new ATOM 879 N GLN A 59 3.818 -5.506 -5.400 1.00 0.00 N ATOM 880 CA GLN A 59 3.403 -6.467 -6.415 1.00 0.00 C ATOM 881 C GLN A 59 1.911 -6.762 -6.308 1.00 0.00 C ATOM 882 O GLN A 59 1.272 -7.147 -7.287 1.00 0.00 O ATOM 883 CB GLN A 59 4.203 -7.764 -6.277 1.00 0.00 C ATOM 884 CG GLN A 59 5.586 -7.695 -6.902 1.00 0.00 C ATOM 885 CD GLN A 59 5.564 -7.942 -8.398 1.00 0.00 C ATOM 886 OE1 GLN A 59 4.865 -8.834 -8.881 1.00 0.00 O ATOM 887 NE2 GLN A 59 6.330 -7.152 -9.140 1.00 0.00 N ATOM 0 H GLN A 59 4.023 -5.916 -4.489 1.00 0.00 H new ATOM 0 HA GLN A 59 3.599 -6.030 -7.394 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.303 -8.009 -5.220 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.644 -8.577 -6.741 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.021 -6.715 -6.706 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.233 -8.432 -6.426 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.893 -6.426 -8.698 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.356 -7.271 -10.153 1.00 0.00 H new ATOM 896 N TYR A 60 1.362 -6.580 -5.112 1.00 0.00 N ATOM 897 CA TYR A 60 -0.056 -6.830 -4.876 1.00 0.00 C ATOM 898 C TYR A 60 -0.819 -5.519 -4.708 1.00 0.00 C ATOM 899 O TYR A 60 -1.895 -5.487 -4.110 1.00 0.00 O ATOM 900 CB TYR A 60 -0.241 -7.704 -3.634 1.00 0.00 C ATOM 901 CG TYR A 60 0.407 -9.065 -3.750 1.00 0.00 C ATOM 902 CD1 TYR A 60 1.783 -9.192 -3.889 1.00 0.00 C ATOM 903 CD2 TYR A 60 -0.358 -10.225 -3.719 1.00 0.00 C ATOM 904 CE1 TYR A 60 2.379 -10.434 -3.996 1.00 0.00 C ATOM 905 CE2 TYR A 60 0.229 -11.471 -3.823 1.00 0.00 C ATOM 906 CZ TYR A 60 1.598 -11.570 -3.962 1.00 0.00 C ATOM 907 OH TYR A 60 2.187 -12.809 -4.067 1.00 0.00 O ATOM 0 H TYR A 60 1.876 -6.261 -4.291 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.457 -7.354 -5.744 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.174 -7.185 -2.770 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.307 -7.833 -3.446 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.398 -8.304 -3.914 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.430 -10.151 -3.612 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.450 -10.515 -4.106 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.380 -12.362 -3.796 1.00 0.00 H new ATOM 0 HH TYR A 60 1.497 -13.504 -4.024 1.00 0.00 H new ATOM 917 N ILE A 61 -0.253 -4.441 -5.239 1.00 0.00 N ATOM 918 CA ILE A 61 -0.880 -3.128 -5.150 1.00 0.00 C ATOM 919 C ILE A 61 -0.469 -2.242 -6.321 1.00 0.00 C ATOM 920 O ILE A 61 0.587 -2.440 -6.923 1.00 0.00 O ATOM 921 CB ILE A 61 -0.517 -2.419 -3.832 1.00 0.00 C ATOM 922 CG1 ILE A 61 0.974 -2.078 -3.805 1.00 0.00 C ATOM 923 CG2 ILE A 61 -0.889 -3.291 -2.642 1.00 0.00 C ATOM 924 CD1 ILE A 61 1.293 -0.716 -4.379 1.00 0.00 C ATOM 0 H ILE A 61 0.638 -4.451 -5.735 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.957 -3.290 -5.181 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.084 -1.490 -3.768 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.330 -2.122 -2.776 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.522 -2.836 -4.364 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.626 -2.776 -1.718 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.961 -3.488 -2.656 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.346 -4.235 -2.699 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.368 -0.542 -4.327 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.968 -0.674 -5.419 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.773 0.051 -3.805 1.00 0.00 H new ATOM 936 N VAL A 62 -1.309 -1.261 -6.638 1.00 0.00 N ATOM 937 CA VAL A 62 -1.032 -0.342 -7.735 1.00 0.00 C ATOM 938 C VAL A 62 -0.987 1.101 -7.245 1.00 0.00 C ATOM 939 O VAL A 62 -2.000 1.654 -6.815 1.00 0.00 O ATOM 940 CB VAL A 62 -2.089 -0.462 -8.849 1.00 0.00 C ATOM 941 CG1 VAL A 62 -1.793 0.518 -9.974 1.00 0.00 C ATOM 942 CG2 VAL A 62 -2.150 -1.888 -9.374 1.00 0.00 C ATOM 0 H VAL A 62 -2.187 -1.083 -6.150 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.057 -0.616 -8.139 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.064 -0.212 -8.430 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.550 0.419 -10.752 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.806 1.535 -9.583 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.811 0.303 -10.395 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.902 -1.954 -10.160 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.177 -2.169 -9.778 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.415 -2.564 -8.561 1.00 0.00 H new ATOM 952 N VAL A 63 0.194 1.707 -7.312 1.00 0.00 N ATOM 953 CA VAL A 63 0.372 3.087 -6.877 1.00 0.00 C ATOM 954 C VAL A 63 -0.110 4.065 -7.942 1.00 0.00 C ATOM 955 O VAL A 63 0.575 4.302 -8.936 1.00 0.00 O ATOM 956 CB VAL A 63 1.846 3.387 -6.549 1.00 0.00 C ATOM 957 CG1 VAL A 63 2.027 4.856 -6.197 1.00 0.00 C ATOM 958 CG2 VAL A 63 2.332 2.495 -5.416 1.00 0.00 C ATOM 0 H VAL A 63 1.042 1.263 -7.664 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.226 3.214 -5.974 1.00 0.00 H new ATOM 0 HB VAL A 63 2.447 3.173 -7.433 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.075 5.049 -5.968 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.720 5.473 -7.042 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.415 5.100 -5.329 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.376 2.721 -5.197 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.728 2.675 -4.527 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.241 1.450 -5.711 1.00 0.00 H new ATOM 968 N GLN A 64 -1.293 4.632 -7.725 1.00 0.00 N ATOM 969 CA GLN A 64 -1.867 5.585 -8.668 1.00 0.00 C ATOM 970 C GLN A 64 -1.011 6.845 -8.756 1.00 0.00 C ATOM 971 O GLN A 64 -1.087 7.720 -7.893 1.00 0.00 O ATOM 972 CB GLN A 64 -3.293 5.951 -8.252 1.00 0.00 C ATOM 973 CG GLN A 64 -4.220 4.751 -8.141 1.00 0.00 C ATOM 974 CD GLN A 64 -4.928 4.439 -9.444 1.00 0.00 C ATOM 975 OE1 GLN A 64 -5.122 5.317 -10.285 1.00 0.00 O ATOM 976 NE2 GLN A 64 -5.319 3.182 -9.619 1.00 0.00 N ATOM 0 H GLN A 64 -1.872 4.448 -6.906 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.893 5.115 -9.651 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -3.262 6.466 -7.292 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.706 6.653 -8.977 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.645 3.880 -7.827 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.962 4.940 -7.365 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.138 2.486 -8.896 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.801 2.912 -10.477 1.00 0.00 H new ATOM 985 N ASP A 65 -0.199 6.930 -9.803 1.00 0.00 N ATOM 986 CA ASP A 65 0.670 8.083 -10.005 1.00 0.00 C ATOM 987 C ASP A 65 -0.074 9.207 -10.720 1.00 0.00 C ATOM 988 O ASP A 65 -1.137 8.990 -11.302 1.00 0.00 O ATOM 989 CB ASP A 65 1.908 7.682 -10.809 1.00 0.00 C ATOM 990 CG ASP A 65 1.553 7.077 -12.154 1.00 0.00 C ATOM 991 OD1 ASP A 65 0.835 6.056 -12.174 1.00 0.00 O ATOM 992 OD2 ASP A 65 1.993 7.626 -13.185 1.00 0.00 O ATOM 0 H ASP A 65 -0.124 6.214 -10.526 1.00 0.00 H new ATOM 0 HA ASP A 65 0.984 8.445 -9.026 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.538 8.558 -10.963 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.494 6.965 -10.235 1.00 0.00 H new ATOM 997 N THR A 66 0.491 10.409 -10.671 1.00 0.00 N ATOM 998 CA THR A 66 -0.120 11.567 -11.311 1.00 0.00 C ATOM 999 C THR A 66 0.039 11.505 -12.826 1.00 0.00 C ATOM 1000 O THR A 66 1.151 11.592 -13.348 1.00 0.00 O ATOM 1001 CB THR A 66 0.494 12.883 -10.796 1.00 0.00 C ATOM 1002 OG1 THR A 66 0.414 12.934 -9.367 1.00 0.00 O ATOM 1003 CG2 THR A 66 -0.223 14.085 -11.393 1.00 0.00 C ATOM 0 H THR A 66 1.371 10.606 -10.195 1.00 0.00 H new ATOM 0 HA THR A 66 -1.180 11.545 -11.058 1.00 0.00 H new ATOM 0 HB THR A 66 1.540 12.915 -11.102 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.808 13.772 -9.047 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.228 15.002 -11.015 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.135 14.058 -12.479 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.276 14.056 -11.113 1.00 0.00 H new ATOM 1011 N SER A 67 -1.080 11.355 -13.528 1.00 0.00 N ATOM 1012 CA SER A 67 -1.064 11.278 -14.984 1.00 0.00 C ATOM 1013 C SER A 67 -0.974 12.670 -15.601 1.00 0.00 C ATOM 1014 O SER A 67 -1.681 13.590 -15.191 1.00 0.00 O ATOM 1015 CB SER A 67 -2.319 10.563 -15.491 1.00 0.00 C ATOM 1016 OG SER A 67 -3.473 11.363 -15.302 1.00 0.00 O ATOM 0 H SER A 67 -2.009 11.284 -13.112 1.00 0.00 H new ATOM 0 HA SER A 67 -0.184 10.710 -15.284 1.00 0.00 H new ATOM 0 HB2 SER A 67 -2.205 10.328 -16.549 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.439 9.616 -14.965 1.00 0.00 H new ATOM 0 HG SER A 67 -4.261 10.885 -15.635 1.00 0.00 H new ATOM 1022 N GLY A 68 -0.097 12.817 -16.590 1.00 0.00 N ATOM 1023 CA GLY A 68 0.071 14.100 -17.247 1.00 0.00 C ATOM 1024 C GLY A 68 0.705 15.137 -16.342 1.00 0.00 C ATOM 1025 O GLY A 68 1.066 14.857 -15.199 1.00 0.00 O ATOM 0 H GLY A 68 0.500 12.071 -16.947 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.689 13.971 -18.136 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.900 14.462 -17.584 1.00 0.00 H new ATOM 1029 N PRO A 69 0.849 16.368 -16.856 1.00 0.00 N ATOM 1030 CA PRO A 69 1.446 17.475 -16.103 1.00 0.00 C ATOM 1031 C PRO A 69 0.550 17.950 -14.963 1.00 0.00 C ATOM 1032 O PRO A 69 -0.671 18.011 -15.105 1.00 0.00 O ATOM 1033 CB PRO A 69 1.601 18.576 -17.155 1.00 0.00 C ATOM 1034 CG PRO A 69 0.563 18.271 -18.179 1.00 0.00 C ATOM 1035 CD PRO A 69 0.441 16.773 -18.211 1.00 0.00 C ATOM 0 HA PRO A 69 2.383 17.186 -15.627 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.449 19.564 -16.720 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.600 18.570 -17.590 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -0.389 18.735 -17.920 1.00 0.00 H new ATOM 0 HG3 PRO A 69 0.852 18.660 -19.155 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.578 16.458 -18.435 1.00 0.00 H new ATOM 0 HD3 PRO A 69 1.085 16.334 -18.973 1.00 0.00 H new ATOM 1043 N SER A 70 1.165 18.284 -13.833 1.00 0.00 N ATOM 1044 CA SER A 70 0.423 18.750 -12.668 1.00 0.00 C ATOM 1045 C SER A 70 1.121 19.942 -12.020 1.00 0.00 C ATOM 1046 O SER A 70 2.306 19.878 -11.691 1.00 0.00 O ATOM 1047 CB SER A 70 0.269 17.619 -11.649 1.00 0.00 C ATOM 1048 OG SER A 70 -0.746 17.916 -10.707 1.00 0.00 O ATOM 0 H SER A 70 2.175 18.240 -13.700 1.00 0.00 H new ATOM 0 HA SER A 70 -0.565 19.067 -13.001 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.029 16.690 -12.166 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.215 17.461 -11.131 1.00 0.00 H new ATOM 0 HG SER A 70 -0.826 17.177 -10.068 1.00 0.00 H new ATOM 1054 N SER A 71 0.378 21.029 -11.840 1.00 0.00 N ATOM 1055 CA SER A 71 0.926 22.238 -11.235 1.00 0.00 C ATOM 1056 C SER A 71 1.423 21.959 -9.820 1.00 0.00 C ATOM 1057 O SER A 71 0.956 21.035 -9.156 1.00 0.00 O ATOM 1058 CB SER A 71 -0.131 23.343 -11.208 1.00 0.00 C ATOM 1059 OG SER A 71 -1.286 22.928 -10.500 1.00 0.00 O ATOM 0 H SER A 71 -0.605 21.098 -12.104 1.00 0.00 H new ATOM 0 HA SER A 71 1.771 22.568 -11.840 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.284 24.236 -10.741 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.404 23.614 -12.228 1.00 0.00 H new ATOM 0 HG SER A 71 -1.945 23.653 -10.496 1.00 0.00 H new ATOM 1065 N GLY A 72 2.375 22.768 -9.364 1.00 0.00 N ATOM 1066 CA GLY A 72 2.921 22.593 -8.031 1.00 0.00 C ATOM 1067 C GLY A 72 4.042 21.573 -7.992 1.00 0.00 C ATOM 1068 O GLY A 72 5.195 21.917 -7.732 1.00 0.00 O ATOM 0 H GLY A 72 2.777 23.541 -9.894 1.00 0.00 H new ATOM 0 HA2 GLY A 72 3.292 23.550 -7.665 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.126 22.280 -7.354 1.00 0.00 H new TER 1072 GLY A 72