USER MOD reduce.3.24.130724 H: found=0, std=0, add=298, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 297 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 1 LYS N :NH3+ 158:sc= 1.23 (180deg=0) USER MOD Set 1.2: A 28 GLN : amide:sc= 0.756 K(o=2,f=-7.8!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 158:sc= 1.28 (180deg=1) USER MOD Single : A 10 MET CE :methyl -179:sc= 0 (180deg=-0.00204) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 21:sc= 1.22 USER MOD Single : A 18 TYR OH : rot 180:sc= 0.472 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.498 X(o=-0.5,f=-0.64) USER MOD Single : A 22 HIS : no HE2:sc= 0.35 K(o=0.35,f=-1.3) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 27 SER OG : rot 38:sc= 0.0383 USER MOD Single : A 33 SER OG : rot 167:sc= 0.967 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot -118:sc= 1.31 USER MOD Single : A 37 SER OG : rot -20:sc= 1.29 USER MOD Single : A 38 SER OG : rot 11:sc= 0.26 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -46.681 9.309 46.346 1.00 0.00 N ATOM 2 CA LYS A 1 -45.889 10.489 45.900 1.00 0.00 C ATOM 3 C LYS A 1 -44.351 10.166 45.935 1.00 0.00 C ATOM 4 O LYS A 1 -43.868 9.685 46.960 1.00 0.00 O ATOM 5 CB LYS A 1 -46.214 11.727 46.794 1.00 0.00 C ATOM 6 CG LYS A 1 -47.599 12.418 46.626 1.00 0.00 C ATOM 7 CD LYS A 1 -47.706 13.706 47.483 1.00 0.00 C ATOM 8 CE LYS A 1 -49.046 14.456 47.313 1.00 0.00 C ATOM 9 NZ LYS A 1 -49.054 15.694 48.154 1.00 0.00 N ATOM 0 H1 LYS A 1 -47.617 9.623 46.673 1.00 0.00 H new ATOM 0 H2 LYS A 1 -46.796 8.648 45.552 1.00 0.00 H new ATOM 0 H3 LYS A 1 -46.184 8.832 47.125 1.00 0.00 H new ATOM 0 HA LYS A 1 -46.163 10.724 44.872 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -46.121 11.418 47.835 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -45.444 12.478 46.614 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -47.757 12.665 45.576 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -48.389 11.724 46.912 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -47.577 13.445 48.533 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -46.888 14.377 47.219 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -49.194 14.718 46.265 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -49.874 13.807 47.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -49.960 16.191 48.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -48.933 15.435 49.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -48.275 16.318 47.861 1.00 0.00 H new ATOM 25 N LEU A 2 -43.608 10.435 44.845 1.00 0.00 N ATOM 26 CA LEU A 2 -42.170 10.040 44.706 1.00 0.00 C ATOM 27 C LEU A 2 -41.017 11.065 44.330 1.00 0.00 C ATOM 28 O LEU A 2 -39.927 10.864 44.859 1.00 0.00 O ATOM 29 CB LEU A 2 -42.100 8.813 43.768 1.00 0.00 C ATOM 30 CG LEU A 2 -42.495 8.882 42.264 1.00 0.00 C ATOM 31 CD1 LEU A 2 -41.257 8.907 41.339 1.00 0.00 C ATOM 32 CD2 LEU A 2 -43.375 7.707 41.881 1.00 0.00 C ATOM 0 H LEU A 2 -43.974 10.930 44.032 1.00 0.00 H new ATOM 0 HA LEU A 2 -41.907 9.879 45.752 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -41.072 8.453 43.803 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -42.724 8.041 44.218 1.00 0.00 H new ATOM 0 HG LEU A 2 -43.046 9.813 42.130 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -41.581 8.955 40.299 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -40.648 9.781 41.570 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -40.669 8.003 41.494 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -43.638 7.778 40.825 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -42.837 6.776 42.059 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -44.284 7.722 42.483 1.00 0.00 H new ATOM 44 N PRO A 3 -41.092 12.054 43.399 1.00 0.00 N ATOM 45 CA PRO A 3 -39.900 12.624 42.703 1.00 0.00 C ATOM 46 C PRO A 3 -38.556 13.176 43.326 1.00 0.00 C ATOM 47 O PRO A 3 -37.541 12.934 42.659 1.00 0.00 O ATOM 48 CB PRO A 3 -40.555 13.468 41.594 1.00 0.00 C ATOM 49 CG PRO A 3 -42.009 13.650 42.018 1.00 0.00 C ATOM 50 CD PRO A 3 -42.231 12.225 42.502 1.00 0.00 C ATOM 0 HA PRO A 3 -39.276 11.762 42.469 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -40.055 14.431 41.488 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -40.489 12.966 40.629 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -42.139 14.397 42.801 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -42.666 13.933 41.195 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -43.184 12.109 43.019 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -42.223 11.506 41.683 1.00 0.00 H new ATOM 58 N PRO A 4 -38.398 13.886 44.482 1.00 0.00 N ATOM 59 CA PRO A 4 -37.070 14.414 44.926 1.00 0.00 C ATOM 60 C PRO A 4 -35.961 13.348 45.239 1.00 0.00 C ATOM 61 O PRO A 4 -35.790 12.862 46.360 1.00 0.00 O ATOM 62 CB PRO A 4 -37.438 15.264 46.147 1.00 0.00 C ATOM 63 CG PRO A 4 -38.752 14.662 46.662 1.00 0.00 C ATOM 64 CD PRO A 4 -39.498 14.215 45.401 1.00 0.00 C ATOM 0 HA PRO A 4 -36.585 14.964 44.120 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -36.659 15.222 46.908 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -37.563 16.312 45.876 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -38.567 13.822 47.331 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -39.330 15.396 47.224 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -40.139 13.354 45.592 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -40.136 15.005 45.005 1.00 0.00 H new ATOM 72 N GLY A 5 -35.202 13.010 44.200 1.00 0.00 N ATOM 73 CA GLY A 5 -34.342 11.806 44.197 1.00 0.00 C ATOM 74 C GLY A 5 -34.990 10.499 43.688 1.00 0.00 C ATOM 75 O GLY A 5 -34.883 9.498 44.404 1.00 0.00 O ATOM 0 H GLY A 5 -35.158 13.552 43.337 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -33.465 12.014 43.583 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -33.987 11.638 45.214 1.00 0.00 H new ATOM 79 N TRP A 6 -35.660 10.465 42.515 1.00 0.00 N ATOM 80 CA TRP A 6 -36.378 9.270 42.046 1.00 0.00 C ATOM 81 C TRP A 6 -35.670 8.531 40.900 1.00 0.00 C ATOM 82 O TRP A 6 -34.854 9.090 40.161 1.00 0.00 O ATOM 83 CB TRP A 6 -37.825 9.679 41.693 1.00 0.00 C ATOM 84 CG TRP A 6 -38.151 10.316 40.310 1.00 0.00 C ATOM 85 CD1 TRP A 6 -38.050 11.667 39.910 1.00 0.00 C ATOM 86 CD2 TRP A 6 -38.710 9.681 39.219 1.00 0.00 C ATOM 87 NE1 TRP A 6 -38.693 11.918 38.686 1.00 0.00 N ATOM 88 CE2 TRP A 6 -39.050 10.664 38.254 1.00 0.00 C ATOM 89 CE3 TRP A 6 -38.908 8.307 38.942 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -39.614 10.287 37.022 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -39.326 7.956 37.656 1.00 0.00 C ATOM 92 CH2 TRP A 6 -39.712 8.928 36.723 1.00 0.00 C ATOM 0 H TRP A 6 -35.715 11.258 41.876 1.00 0.00 H new ATOM 0 HA TRP A 6 -36.393 8.537 42.852 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -38.444 8.787 41.791 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -38.156 10.382 42.457 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -37.535 12.424 40.482 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -38.855 12.815 38.229 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -38.742 7.555 39.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -39.963 11.033 36.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -39.352 6.914 37.375 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -40.091 8.621 35.759 1.00 0.00 H new ATOM 103 N GLU A 7 -36.109 7.282 40.702 1.00 0.00 N ATOM 104 CA GLU A 7 -35.925 6.598 39.419 1.00 0.00 C ATOM 105 C GLU A 7 -36.862 5.327 39.444 1.00 0.00 C ATOM 106 O GLU A 7 -36.999 4.635 40.465 1.00 0.00 O ATOM 107 CB GLU A 7 -34.431 6.237 39.147 1.00 0.00 C ATOM 108 CG GLU A 7 -33.975 6.278 37.665 1.00 0.00 C ATOM 109 CD GLU A 7 -34.463 5.173 36.761 1.00 0.00 C ATOM 110 OE1 GLU A 7 -33.892 4.064 36.799 1.00 0.00 O ATOM 111 OE2 GLU A 7 -35.416 5.399 35.990 1.00 0.00 O ATOM 0 H GLU A 7 -36.591 6.728 41.410 1.00 0.00 H new ATOM 0 HA GLU A 7 -36.200 7.254 38.593 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -33.804 6.922 39.717 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -34.244 5.236 39.535 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -34.296 7.229 37.239 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -32.885 6.272 37.647 1.00 0.00 H new ATOM 118 N LYS A 8 -37.525 4.994 38.334 1.00 0.00 N ATOM 119 CA LYS A 8 -38.178 3.657 38.156 1.00 0.00 C ATOM 120 C LYS A 8 -37.231 2.390 38.192 1.00 0.00 C ATOM 121 O LYS A 8 -36.207 2.286 37.511 1.00 0.00 O ATOM 122 CB LYS A 8 -39.208 3.706 36.993 1.00 0.00 C ATOM 123 CG LYS A 8 -38.700 4.020 35.567 1.00 0.00 C ATOM 124 CD LYS A 8 -38.207 2.771 34.802 1.00 0.00 C ATOM 125 CE LYS A 8 -37.172 3.099 33.705 1.00 0.00 C ATOM 126 NZ LYS A 8 -35.857 3.312 34.409 1.00 0.00 N ATOM 0 H LYS A 8 -37.634 5.618 37.535 1.00 0.00 H new ATOM 0 HA LYS A 8 -38.739 3.471 39.072 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -39.715 2.742 36.959 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -39.960 4.452 37.248 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -39.502 4.492 34.999 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -37.887 4.743 35.630 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -37.766 2.070 35.510 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -39.062 2.270 34.348 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -37.099 2.285 32.984 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -37.464 3.991 33.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -35.076 3.167 33.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -35.817 4.282 34.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -35.769 2.635 35.193 1.00 0.00 H new ATOM 140 N ARG A 9 -37.593 1.426 39.047 1.00 0.00 N ATOM 141 CA ARG A 9 -36.824 0.240 39.421 1.00 0.00 C ATOM 142 C ARG A 9 -37.695 -0.993 39.043 1.00 0.00 C ATOM 143 O ARG A 9 -38.921 -1.027 39.152 1.00 0.00 O ATOM 144 CB ARG A 9 -36.633 0.290 40.970 1.00 0.00 C ATOM 145 CG ARG A 9 -35.673 1.359 41.507 1.00 0.00 C ATOM 146 CD ARG A 9 -34.213 0.914 41.400 1.00 0.00 C ATOM 147 NE ARG A 9 -33.327 2.098 41.505 1.00 0.00 N ATOM 148 CZ ARG A 9 -33.005 2.885 40.460 1.00 0.00 C ATOM 149 NH1 ARG A 9 -33.463 2.701 39.243 1.00 0.00 N ATOM 150 NH2 ARG A 9 -32.223 3.895 40.655 1.00 0.00 N ATOM 0 H ARG A 9 -38.493 1.459 39.527 1.00 0.00 H new ATOM 0 HA ARG A 9 -35.855 0.189 38.925 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -37.609 0.446 41.429 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -36.277 -0.686 41.302 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -35.813 2.286 40.951 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -35.913 1.573 42.549 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -33.980 0.201 42.191 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -34.046 0.404 40.451 1.00 0.00 H new ATOM 0 HE ARG A 9 -32.940 2.330 42.420 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -34.099 1.928 39.049 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -33.183 3.331 38.492 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -31.860 4.086 41.589 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -31.969 4.501 39.875 1.00 0.00 H new ATOM 164 N MET A 10 -37.003 -2.049 38.678 1.00 0.00 N ATOM 165 CA MET A 10 -37.567 -3.421 38.710 1.00 0.00 C ATOM 166 C MET A 10 -37.686 -4.006 40.151 1.00 0.00 C ATOM 167 O MET A 10 -36.785 -3.845 40.988 1.00 0.00 O ATOM 168 CB MET A 10 -36.749 -4.376 37.803 1.00 0.00 C ATOM 169 CG MET A 10 -37.044 -4.268 36.293 1.00 0.00 C ATOM 170 SD MET A 10 -38.805 -4.284 35.873 1.00 0.00 S ATOM 171 CE MET A 10 -39.401 -5.813 36.617 1.00 0.00 C ATOM 0 H MET A 10 -36.038 -2.004 38.350 1.00 0.00 H new ATOM 0 HA MET A 10 -38.583 -3.340 38.322 1.00 0.00 H new ATOM 0 HB2 MET A 10 -35.688 -4.183 37.964 1.00 0.00 H new ATOM 0 HB3 MET A 10 -36.938 -5.402 38.120 1.00 0.00 H new ATOM 0 HG2 MET A 10 -36.601 -3.347 35.913 1.00 0.00 H new ATOM 0 HG3 MET A 10 -36.553 -5.094 35.779 1.00 0.00 H new ATOM 0 HE1 MET A 10 -40.464 -5.931 36.405 1.00 0.00 H new ATOM 0 HE2 MET A 10 -38.852 -6.658 36.201 1.00 0.00 H new ATOM 0 HE3 MET A 10 -39.248 -5.777 37.696 1.00 0.00 H new ATOM 181 N SER A 11 -38.762 -4.772 40.410 1.00 0.00 N ATOM 182 CA SER A 11 -38.756 -5.756 41.545 1.00 0.00 C ATOM 183 C SER A 11 -37.642 -6.852 41.392 1.00 0.00 C ATOM 184 O SER A 11 -37.595 -7.578 40.395 1.00 0.00 O ATOM 185 CB SER A 11 -40.137 -6.415 41.744 1.00 0.00 C ATOM 186 OG SER A 11 -40.133 -7.298 42.870 1.00 0.00 O ATOM 0 H SER A 11 -39.630 -4.743 39.875 1.00 0.00 H new ATOM 0 HA SER A 11 -38.522 -5.176 42.438 1.00 0.00 H new ATOM 0 HB2 SER A 11 -40.894 -5.643 41.887 1.00 0.00 H new ATOM 0 HB3 SER A 11 -40.411 -6.968 40.846 1.00 0.00 H new ATOM 0 HG SER A 11 -41.021 -7.700 42.974 1.00 0.00 H new ATOM 192 N ARG A 12 -36.737 -6.952 42.381 1.00 0.00 N ATOM 193 CA ARG A 12 -35.523 -7.829 42.295 1.00 0.00 C ATOM 194 C ARG A 12 -35.712 -9.382 42.517 1.00 0.00 C ATOM 195 O ARG A 12 -34.904 -10.039 43.176 1.00 0.00 O ATOM 196 CB ARG A 12 -34.464 -7.160 43.222 1.00 0.00 C ATOM 197 CG ARG A 12 -34.685 -7.326 44.755 1.00 0.00 C ATOM 198 CD ARG A 12 -34.255 -6.126 45.627 1.00 0.00 C ATOM 199 NE ARG A 12 -35.422 -5.303 46.058 1.00 0.00 N ATOM 200 CZ ARG A 12 -35.954 -4.278 45.401 1.00 0.00 C ATOM 201 NH1 ARG A 12 -35.517 -3.837 44.256 1.00 0.00 N ATOM 202 NH2 ARG A 12 -36.970 -3.681 45.929 1.00 0.00 N ATOM 0 H ARG A 12 -36.811 -6.439 43.260 1.00 0.00 H new ATOM 0 HA ARG A 12 -35.196 -7.870 41.256 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -33.484 -7.567 42.972 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -34.434 -6.095 42.994 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -35.743 -7.520 44.932 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -34.139 -8.208 45.089 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -33.723 -6.489 46.506 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -33.558 -5.502 45.067 1.00 0.00 H new ATOM 0 HE ARG A 12 -35.855 -5.552 46.947 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -34.717 -4.285 43.809 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -35.975 -3.044 43.807 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -37.340 -4.000 46.824 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -37.402 -2.891 45.451 1.00 0.00 H new ATOM 216 N SER A 13 -36.765 -9.959 41.926 1.00 0.00 N ATOM 217 CA SER A 13 -36.995 -11.429 41.865 1.00 0.00 C ATOM 218 C SER A 13 -37.852 -11.761 40.599 1.00 0.00 C ATOM 219 O SER A 13 -37.311 -12.272 39.616 1.00 0.00 O ATOM 220 CB SER A 13 -37.572 -11.951 43.209 1.00 0.00 C ATOM 221 OG SER A 13 -37.793 -13.363 43.169 1.00 0.00 O ATOM 0 H SER A 13 -37.499 -9.420 41.466 1.00 0.00 H new ATOM 0 HA SER A 13 -36.055 -11.968 41.746 1.00 0.00 H new ATOM 0 HB2 SER A 13 -36.884 -11.712 44.019 1.00 0.00 H new ATOM 0 HB3 SER A 13 -38.510 -11.440 43.427 1.00 0.00 H new ATOM 0 HG SER A 13 -38.155 -13.662 44.029 1.00 0.00 H new ATOM 227 N SER A 14 -39.173 -11.482 40.608 1.00 0.00 N ATOM 228 CA SER A 14 -40.085 -11.691 39.442 1.00 0.00 C ATOM 229 C SER A 14 -41.489 -11.090 39.773 1.00 0.00 C ATOM 230 O SER A 14 -42.209 -11.615 40.628 1.00 0.00 O ATOM 231 CB SER A 14 -40.237 -13.187 39.042 1.00 0.00 C ATOM 232 OG SER A 14 -39.087 -13.662 38.345 1.00 0.00 O ATOM 0 H SER A 14 -39.649 -11.102 41.426 1.00 0.00 H new ATOM 0 HA SER A 14 -39.636 -11.183 38.588 1.00 0.00 H new ATOM 0 HB2 SER A 14 -40.396 -13.789 39.936 1.00 0.00 H new ATOM 0 HB3 SER A 14 -41.120 -13.309 38.415 1.00 0.00 H new ATOM 0 HG SER A 14 -38.323 -13.079 38.538 1.00 0.00 H new ATOM 238 N GLY A 15 -41.906 -10.007 39.096 1.00 0.00 N ATOM 239 CA GLY A 15 -43.311 -9.534 39.192 1.00 0.00 C ATOM 240 C GLY A 15 -43.609 -8.173 38.546 1.00 0.00 C ATOM 241 O GLY A 15 -44.211 -8.111 37.473 1.00 0.00 O ATOM 0 H GLY A 15 -41.310 -9.447 38.486 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -43.957 -10.281 38.732 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -43.584 -9.481 40.246 1.00 0.00 H new ATOM 245 N ARG A 16 -43.273 -7.094 39.259 1.00 0.00 N ATOM 246 CA ARG A 16 -43.649 -5.701 38.899 1.00 0.00 C ATOM 247 C ARG A 16 -42.419 -4.749 38.914 1.00 0.00 C ATOM 248 O ARG A 16 -41.692 -4.628 39.895 1.00 0.00 O ATOM 249 CB ARG A 16 -44.747 -5.172 39.887 1.00 0.00 C ATOM 250 CG ARG A 16 -46.222 -5.216 39.422 1.00 0.00 C ATOM 251 CD ARG A 16 -46.734 -6.616 39.071 1.00 0.00 C ATOM 252 NE ARG A 16 -48.184 -6.558 38.739 1.00 0.00 N ATOM 253 CZ ARG A 16 -48.853 -7.477 38.052 1.00 0.00 C ATOM 254 NH1 ARG A 16 -48.306 -8.557 37.566 1.00 0.00 N ATOM 255 NH2 ARG A 16 -50.118 -7.290 37.852 1.00 0.00 N ATOM 0 H ARG A 16 -42.724 -7.152 40.117 1.00 0.00 H new ATOM 0 HA ARG A 16 -44.045 -5.715 37.884 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -44.670 -5.746 40.810 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -44.505 -4.138 40.133 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -46.851 -4.799 40.209 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -46.334 -4.572 38.550 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -46.174 -7.016 38.225 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -46.571 -7.293 39.910 1.00 0.00 H new ATOM 0 HE ARG A 16 -48.707 -5.746 39.066 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -47.311 -8.732 37.706 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -48.873 -9.227 37.046 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -50.574 -6.455 38.218 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -50.659 -7.978 37.328 1.00 0.00 H new ATOM 269 N VAL A 17 -42.296 -3.942 37.865 1.00 0.00 N ATOM 270 CA VAL A 17 -41.677 -2.582 37.953 1.00 0.00 C ATOM 271 C VAL A 17 -42.428 -1.636 38.956 1.00 0.00 C ATOM 272 O VAL A 17 -43.650 -1.685 39.119 1.00 0.00 O ATOM 273 CB VAL A 17 -41.477 -1.974 36.516 1.00 0.00 C ATOM 274 CG1 VAL A 17 -42.620 -2.235 35.523 1.00 0.00 C ATOM 275 CG2 VAL A 17 -41.182 -0.450 36.472 1.00 0.00 C ATOM 0 H VAL A 17 -42.613 -4.190 36.928 1.00 0.00 H new ATOM 0 HA VAL A 17 -40.682 -2.687 38.387 1.00 0.00 H new ATOM 0 HB VAL A 17 -40.591 -2.527 36.205 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -42.382 -1.774 34.565 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -42.746 -3.309 35.387 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -43.544 -1.808 35.912 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -41.061 -0.133 35.436 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -42.011 0.094 36.924 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -40.266 -0.241 37.025 1.00 0.00 H new ATOM 285 N TYR A 18 -41.650 -0.788 39.629 1.00 0.00 N ATOM 286 CA TYR A 18 -42.140 0.157 40.647 1.00 0.00 C ATOM 287 C TYR A 18 -41.313 1.496 40.573 1.00 0.00 C ATOM 288 O TYR A 18 -40.086 1.509 40.437 1.00 0.00 O ATOM 289 CB TYR A 18 -42.171 -0.599 42.012 1.00 0.00 C ATOM 290 CG TYR A 18 -40.831 -0.818 42.723 1.00 0.00 C ATOM 291 CD1 TYR A 18 -40.046 -1.945 42.465 1.00 0.00 C ATOM 292 CD2 TYR A 18 -40.368 0.159 43.603 1.00 0.00 C ATOM 293 CE1 TYR A 18 -38.798 -2.081 43.069 1.00 0.00 C ATOM 294 CE2 TYR A 18 -39.126 0.021 44.205 1.00 0.00 C ATOM 295 CZ TYR A 18 -38.332 -1.087 43.930 1.00 0.00 C ATOM 296 OH TYR A 18 -37.082 -1.156 44.484 1.00 0.00 O ATOM 0 H TYR A 18 -40.642 -0.733 39.483 1.00 0.00 H new ATOM 0 HA TYR A 18 -43.163 0.494 40.480 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -42.826 -0.049 42.688 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -42.629 -1.574 41.848 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -40.408 -2.712 41.796 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -40.977 1.025 43.816 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -38.193 -2.953 42.871 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -38.774 0.778 44.891 1.00 0.00 H new ATOM 0 HH TYR A 18 -36.934 -0.374 45.055 1.00 0.00 H new ATOM 306 N TYR A 19 -42.000 2.640 40.658 1.00 0.00 N ATOM 307 CA TYR A 19 -41.352 3.982 40.716 1.00 0.00 C ATOM 308 C TYR A 19 -40.951 4.370 42.173 1.00 0.00 C ATOM 309 O TYR A 19 -41.686 4.099 43.128 1.00 0.00 O ATOM 310 CB TYR A 19 -42.278 5.050 40.100 1.00 0.00 C ATOM 311 CG TYR A 19 -42.539 5.027 38.583 1.00 0.00 C ATOM 312 CD1 TYR A 19 -43.270 4.009 37.967 1.00 0.00 C ATOM 313 CD2 TYR A 19 -42.043 6.070 37.800 1.00 0.00 C ATOM 314 CE1 TYR A 19 -43.472 4.021 36.589 1.00 0.00 C ATOM 315 CE2 TYR A 19 -42.178 6.042 36.414 1.00 0.00 C ATOM 316 CZ TYR A 19 -42.903 5.021 35.811 1.00 0.00 C ATOM 317 OH TYR A 19 -43.106 5.036 34.460 1.00 0.00 O ATOM 0 H TYR A 19 -43.019 2.677 40.689 1.00 0.00 H new ATOM 0 HA TYR A 19 -40.434 3.933 40.131 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -43.243 4.977 40.601 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -41.863 6.027 40.348 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -43.681 3.208 38.563 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -41.550 6.906 38.273 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -44.072 3.252 36.125 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -41.721 6.811 35.810 1.00 0.00 H new ATOM 0 HH TYR A 19 -42.639 5.803 34.068 1.00 0.00 H new ATOM 327 N PHE A 20 -39.757 4.968 42.347 1.00 0.00 N ATOM 328 CA PHE A 20 -39.068 4.955 43.667 1.00 0.00 C ATOM 329 C PHE A 20 -38.208 6.208 44.026 1.00 0.00 C ATOM 330 O PHE A 20 -37.179 6.442 43.394 1.00 0.00 O ATOM 331 CB PHE A 20 -38.238 3.634 43.740 1.00 0.00 C ATOM 332 CG PHE A 20 -37.520 3.333 45.072 1.00 0.00 C ATOM 333 CD1 PHE A 20 -38.241 3.171 46.242 1.00 0.00 C ATOM 334 CD2 PHE A 20 -36.140 3.244 45.112 1.00 0.00 C ATOM 335 CE1 PHE A 20 -37.596 2.906 47.444 1.00 0.00 C ATOM 336 CE2 PHE A 20 -35.479 2.995 46.310 1.00 0.00 C ATOM 337 CZ PHE A 20 -36.179 2.786 47.533 1.00 0.00 C ATOM 0 H PHE A 20 -39.251 5.459 41.610 1.00 0.00 H new ATOM 0 HA PHE A 20 -39.844 4.998 44.431 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -38.906 2.801 43.519 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -37.488 3.660 42.949 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -39.318 3.251 46.221 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -35.570 3.369 44.203 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -38.188 2.787 48.340 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -34.400 2.959 46.313 1.00 0.00 H new ATOM 0 HZ PHE A 20 -35.673 2.554 48.459 1.00 0.00 H new ATOM 347 N ASN A 21 -38.542 6.908 45.127 1.00 0.00 N ATOM 348 CA ASN A 21 -37.603 7.842 45.820 1.00 0.00 C ATOM 349 C ASN A 21 -36.512 7.077 46.650 1.00 0.00 C ATOM 350 O ASN A 21 -36.872 6.241 47.480 1.00 0.00 O ATOM 351 CB ASN A 21 -38.432 8.760 46.771 1.00 0.00 C ATOM 352 CG ASN A 21 -37.884 10.130 47.182 1.00 0.00 C ATOM 353 OD1 ASN A 21 -38.624 11.074 47.420 1.00 0.00 O ATOM 354 ND2 ASN A 21 -36.606 10.293 47.370 1.00 0.00 N ATOM 0 H ASN A 21 -39.461 6.850 45.567 1.00 0.00 H new ATOM 0 HA ASN A 21 -37.082 8.429 45.064 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -39.400 8.926 46.298 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -38.617 8.197 47.686 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -36.250 11.188 47.706 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -35.961 9.526 47.181 1.00 0.00 H new ATOM 361 N HIS A 22 -35.208 7.379 46.501 1.00 0.00 N ATOM 362 CA HIS A 22 -34.129 6.616 47.225 1.00 0.00 C ATOM 363 C HIS A 22 -33.859 7.107 48.690 1.00 0.00 C ATOM 364 O HIS A 22 -33.830 6.320 49.633 1.00 0.00 O ATOM 365 CB HIS A 22 -32.790 6.580 46.420 1.00 0.00 C ATOM 366 CG HIS A 22 -32.807 6.309 44.915 1.00 0.00 C ATOM 367 ND1 HIS A 22 -33.823 5.663 44.249 1.00 0.00 N ATOM 368 CD2 HIS A 22 -32.013 7.017 44.003 1.00 0.00 C ATOM 369 CE1 HIS A 22 -33.631 6.176 43.003 1.00 0.00 C ATOM 370 NE2 HIS A 22 -32.519 6.917 42.721 1.00 0.00 N ATOM 0 H HIS A 22 -34.863 8.129 45.901 1.00 0.00 H new ATOM 0 HA HIS A 22 -34.527 5.604 47.303 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -32.296 7.540 46.570 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -32.157 5.820 46.879 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -34.516 4.996 44.589 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -31.123 7.568 44.267 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -34.364 5.996 42.231 1.00 0.00 H new ATOM 378 N ILE A 23 -33.630 8.415 48.858 1.00 0.00 N ATOM 379 CA ILE A 23 -33.306 9.077 50.159 1.00 0.00 C ATOM 380 C ILE A 23 -34.478 9.189 51.193 1.00 0.00 C ATOM 381 O ILE A 23 -34.251 9.005 52.389 1.00 0.00 O ATOM 382 CB ILE A 23 -32.604 10.450 49.841 1.00 0.00 C ATOM 383 CG1 ILE A 23 -33.306 11.363 48.774 1.00 0.00 C ATOM 384 CG2 ILE A 23 -31.119 10.243 49.445 1.00 0.00 C ATOM 385 CD1 ILE A 23 -34.191 12.467 49.356 1.00 0.00 C ATOM 0 H ILE A 23 -33.662 9.074 48.080 1.00 0.00 H new ATOM 0 HA ILE A 23 -32.625 8.420 50.700 1.00 0.00 H new ATOM 0 HB ILE A 23 -32.687 10.994 50.782 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -32.540 11.822 48.149 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -33.914 10.735 48.123 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -30.661 11.209 49.231 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -30.587 9.763 50.266 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -31.064 9.611 48.558 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -34.633 13.045 48.544 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -34.983 12.020 49.956 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -33.588 13.124 49.983 1.00 0.00 H new ATOM 397 N THR A 24 -35.725 9.436 50.756 1.00 0.00 N ATOM 398 CA THR A 24 -36.938 9.088 51.556 1.00 0.00 C ATOM 399 C THR A 24 -37.201 7.547 51.721 1.00 0.00 C ATOM 400 O THR A 24 -37.473 7.080 52.827 1.00 0.00 O ATOM 401 CB THR A 24 -38.132 9.867 50.935 1.00 0.00 C ATOM 402 OG1 THR A 24 -38.029 11.254 51.235 1.00 0.00 O ATOM 403 CG2 THR A 24 -39.530 9.426 51.369 1.00 0.00 C ATOM 0 H THR A 24 -35.931 9.873 49.858 1.00 0.00 H new ATOM 0 HA THR A 24 -36.784 9.395 52.590 1.00 0.00 H new ATOM 0 HB THR A 24 -38.044 9.646 49.871 1.00 0.00 H new ATOM 0 HG1 THR A 24 -38.786 11.732 50.836 1.00 0.00 H new ATOM 0 HG21 THR A 24 -40.277 10.043 50.870 1.00 0.00 H new ATOM 0 HG22 THR A 24 -39.682 8.381 51.099 1.00 0.00 H new ATOM 0 HG23 THR A 24 -39.629 9.540 52.449 1.00 0.00 H new ATOM 411 N ASN A 25 -37.187 6.793 50.608 1.00 0.00 N ATOM 412 CA ASN A 25 -37.694 5.412 50.478 1.00 0.00 C ATOM 413 C ASN A 25 -39.250 5.363 50.274 1.00 0.00 C ATOM 414 O ASN A 25 -39.997 4.875 51.124 1.00 0.00 O ATOM 415 CB ASN A 25 -37.105 4.408 51.486 1.00 0.00 C ATOM 416 CG ASN A 25 -35.585 4.273 51.568 1.00 0.00 C ATOM 417 OD1 ASN A 25 -34.958 3.524 50.830 1.00 0.00 O ATOM 418 ND2 ASN A 25 -34.948 4.981 52.461 1.00 0.00 N ATOM 0 H ASN A 25 -36.804 7.145 49.731 1.00 0.00 H new ATOM 0 HA ASN A 25 -37.289 5.027 49.542 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -37.469 4.679 52.477 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -37.514 3.425 51.254 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -33.934 4.908 52.541 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -35.465 5.607 53.079 1.00 0.00 H new ATOM 425 N ALA A 26 -39.727 5.869 49.118 1.00 0.00 N ATOM 426 CA ALA A 26 -41.161 5.918 48.763 1.00 0.00 C ATOM 427 C ALA A 26 -41.452 5.108 47.463 1.00 0.00 C ATOM 428 O ALA A 26 -41.298 5.612 46.344 1.00 0.00 O ATOM 429 CB ALA A 26 -41.593 7.394 48.655 1.00 0.00 C ATOM 0 H ALA A 26 -39.121 6.259 48.397 1.00 0.00 H new ATOM 0 HA ALA A 26 -41.753 5.442 49.544 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -42.650 7.446 48.393 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -41.431 7.891 49.611 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -41.004 7.890 47.884 1.00 0.00 H new ATOM 435 N SER A 27 -41.881 3.849 47.626 1.00 0.00 N ATOM 436 CA SER A 27 -42.240 2.958 46.492 1.00 0.00 C ATOM 437 C SER A 27 -43.752 2.999 46.114 1.00 0.00 C ATOM 438 O SER A 27 -44.644 2.812 46.947 1.00 0.00 O ATOM 439 CB SER A 27 -41.828 1.512 46.841 1.00 0.00 C ATOM 440 OG SER A 27 -42.456 1.035 48.036 1.00 0.00 O ATOM 0 H SER A 27 -41.992 3.412 48.541 1.00 0.00 H new ATOM 0 HA SER A 27 -41.700 3.322 45.618 1.00 0.00 H new ATOM 0 HB2 SER A 27 -42.086 0.854 46.011 1.00 0.00 H new ATOM 0 HB3 SER A 27 -40.746 1.465 46.960 1.00 0.00 H new ATOM 0 HG SER A 27 -43.375 1.372 48.080 1.00 0.00 H new ATOM 446 N GLN A 28 -44.011 3.170 44.820 1.00 0.00 N ATOM 447 CA GLN A 28 -45.355 2.942 44.204 1.00 0.00 C ATOM 448 C GLN A 28 -45.200 2.247 42.810 1.00 0.00 C ATOM 449 O GLN A 28 -44.113 1.904 42.355 1.00 0.00 O ATOM 450 CB GLN A 28 -46.183 4.274 44.202 1.00 0.00 C ATOM 451 CG GLN A 28 -45.562 5.428 43.399 1.00 0.00 C ATOM 452 CD GLN A 28 -46.433 6.672 43.474 1.00 0.00 C ATOM 453 OE1 GLN A 28 -46.609 7.311 44.507 1.00 0.00 O ATOM 454 NE2 GLN A 28 -47.068 6.988 42.389 1.00 0.00 N ATOM 0 H GLN A 28 -43.304 3.472 44.149 1.00 0.00 H new ATOM 0 HA GLN A 28 -45.941 2.246 44.803 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -47.175 4.066 43.801 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -46.318 4.601 45.233 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -44.568 5.652 43.786 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -45.439 5.127 42.358 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -46.916 6.452 41.535 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -47.720 7.773 42.390 1.00 0.00 H new ATOM 463 N TRP A 29 -46.313 2.043 42.120 1.00 0.00 N ATOM 464 CA TRP A 29 -46.346 1.469 40.746 1.00 0.00 C ATOM 465 C TRP A 29 -46.299 2.524 39.577 1.00 0.00 C ATOM 466 O TRP A 29 -45.927 2.155 38.461 1.00 0.00 O ATOM 467 CB TRP A 29 -47.562 0.486 40.801 1.00 0.00 C ATOM 468 CG TRP A 29 -48.246 0.158 39.476 1.00 0.00 C ATOM 469 CD1 TRP A 29 -49.295 0.929 38.951 1.00 0.00 C ATOM 470 CD2 TRP A 29 -47.848 -0.686 38.463 1.00 0.00 C ATOM 471 NE1 TRP A 29 -49.600 0.559 37.625 1.00 0.00 N ATOM 472 CE2 TRP A 29 -48.669 -0.427 37.336 1.00 0.00 C ATOM 473 CE3 TRP A 29 -46.725 -1.541 38.356 1.00 0.00 C ATOM 474 CZ2 TRP A 29 -48.367 -1.024 36.092 1.00 0.00 C ATOM 475 CZ3 TRP A 29 -46.453 -2.128 37.119 1.00 0.00 C ATOM 476 CH2 TRP A 29 -47.264 -1.878 36.004 1.00 0.00 C ATOM 0 H TRP A 29 -47.238 2.268 42.486 1.00 0.00 H new ATOM 0 HA TRP A 29 -45.436 0.933 40.475 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -47.223 -0.448 41.248 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -48.309 0.908 41.473 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -49.806 1.709 39.496 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -50.333 0.930 37.020 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -46.094 -1.735 39.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -48.978 -0.824 35.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -45.603 -2.786 37.020 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -47.033 -2.353 35.062 1.00 0.00 H new ATOM 487 N GLU A 30 -46.678 3.794 39.805 1.00 0.00 N ATOM 488 CA GLU A 30 -46.872 4.801 38.744 1.00 0.00 C ATOM 489 C GLU A 30 -46.067 6.121 38.985 1.00 0.00 C ATOM 490 O GLU A 30 -45.547 6.435 40.056 1.00 0.00 O ATOM 491 CB GLU A 30 -48.417 4.964 38.596 1.00 0.00 C ATOM 492 CG GLU A 30 -48.864 5.837 37.400 1.00 0.00 C ATOM 493 CD GLU A 30 -50.344 6.029 37.229 1.00 0.00 C ATOM 494 OE1 GLU A 30 -51.022 5.124 36.717 1.00 0.00 O ATOM 495 OE2 GLU A 30 -50.811 7.154 37.508 1.00 0.00 O ATOM 0 H GLU A 30 -46.861 4.155 40.741 1.00 0.00 H new ATOM 0 HA GLU A 30 -46.451 4.476 37.792 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -48.865 3.975 38.494 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -48.812 5.400 39.514 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -48.402 6.819 37.502 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -48.469 5.392 36.486 1.00 0.00 H new ATOM 502 N ARG A 31 -45.950 6.863 37.887 1.00 0.00 N ATOM 503 CA ARG A 31 -45.156 8.099 37.762 1.00 0.00 C ATOM 504 C ARG A 31 -45.813 9.388 38.377 1.00 0.00 C ATOM 505 O ARG A 31 -47.047 9.471 38.370 1.00 0.00 O ATOM 506 CB ARG A 31 -44.806 8.106 36.237 1.00 0.00 C ATOM 507 CG ARG A 31 -45.500 9.066 35.241 1.00 0.00 C ATOM 508 CD ARG A 31 -46.867 8.641 34.648 1.00 0.00 C ATOM 509 NE ARG A 31 -48.025 8.879 35.548 1.00 0.00 N ATOM 510 CZ ARG A 31 -49.199 9.425 35.227 1.00 0.00 C ATOM 511 NH1 ARG A 31 -49.455 10.010 34.098 1.00 0.00 N ATOM 512 NH2 ARG A 31 -50.156 9.412 36.088 1.00 0.00 N ATOM 0 H ARG A 31 -46.423 6.615 37.018 1.00 0.00 H new ATOM 0 HA ARG A 31 -44.255 8.116 38.375 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -43.735 8.295 36.161 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -44.978 7.094 35.870 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -45.638 10.024 35.743 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -44.815 9.237 34.410 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -47.029 9.182 33.716 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -46.828 7.581 34.399 1.00 0.00 H new ATOM 0 HE ARG A 31 -47.909 8.593 36.520 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -48.732 10.076 33.382 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -50.380 10.404 33.926 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -50.012 8.987 37.004 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -51.058 9.826 35.854 1.00 0.00 H new ATOM 526 N PRO A 32 -45.081 10.446 38.855 1.00 0.00 N ATOM 527 CA PRO A 32 -45.739 11.728 39.278 1.00 0.00 C ATOM 528 C PRO A 32 -46.491 12.599 38.198 1.00 0.00 C ATOM 529 O PRO A 32 -47.166 13.574 38.534 1.00 0.00 O ATOM 530 CB PRO A 32 -44.511 12.503 39.799 1.00 0.00 C ATOM 531 CG PRO A 32 -43.330 12.023 38.942 1.00 0.00 C ATOM 532 CD PRO A 32 -43.598 10.534 38.822 1.00 0.00 C ATOM 0 HA PRO A 32 -46.561 11.510 39.960 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -44.655 13.579 39.701 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -44.338 12.299 40.856 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -43.310 12.512 37.968 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -42.372 12.226 39.420 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -43.192 10.126 37.896 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -43.144 9.977 39.642 1.00 0.00 H new ATOM 540 N SER A 33 -46.282 12.279 36.914 1.00 0.00 N ATOM 541 CA SER A 33 -46.811 13.012 35.731 1.00 0.00 C ATOM 542 C SER A 33 -46.130 14.386 35.424 1.00 0.00 C ATOM 543 O SER A 33 -45.319 14.477 34.497 1.00 0.00 O ATOM 544 CB SER A 33 -48.355 12.995 35.639 1.00 0.00 C ATOM 545 OG SER A 33 -48.737 13.006 34.265 1.00 0.00 O ATOM 0 H SER A 33 -45.718 11.471 36.649 1.00 0.00 H new ATOM 0 HA SER A 33 -46.483 12.418 34.878 1.00 0.00 H new ATOM 0 HB2 SER A 33 -48.752 12.108 36.133 1.00 0.00 H new ATOM 0 HB3 SER A 33 -48.773 13.861 36.153 1.00 0.00 H new ATOM 0 HG SER A 33 -49.688 12.782 34.188 1.00 0.00 H new ATOM 551 N GLY A 34 -46.450 15.445 36.186 1.00 0.00 N ATOM 552 CA GLY A 34 -45.874 16.806 35.975 1.00 0.00 C ATOM 553 C GLY A 34 -46.419 17.607 34.769 1.00 0.00 C ATOM 554 O GLY A 34 -47.246 18.508 34.930 1.00 0.00 O ATOM 0 H GLY A 34 -47.109 15.395 36.963 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -46.044 17.392 36.878 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -44.795 16.705 35.858 1.00 0.00 H new ATOM 558 N ASN A 35 -45.932 17.277 33.565 1.00 0.00 N ATOM 559 CA ASN A 35 -46.406 17.893 32.286 1.00 0.00 C ATOM 560 C ASN A 35 -47.894 17.581 31.895 1.00 0.00 C ATOM 561 O ASN A 35 -48.632 18.505 31.544 1.00 0.00 O ATOM 562 CB ASN A 35 -45.423 17.528 31.138 1.00 0.00 C ATOM 563 CG ASN A 35 -44.020 18.129 31.244 1.00 0.00 C ATOM 564 OD1 ASN A 35 -43.085 17.514 31.739 1.00 0.00 O ATOM 565 ND2 ASN A 35 -43.814 19.337 30.787 1.00 0.00 N ATOM 0 H ASN A 35 -45.200 16.579 33.434 1.00 0.00 H new ATOM 0 HA ASN A 35 -46.407 18.970 32.455 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -45.330 16.443 31.096 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -45.864 17.847 30.193 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -42.885 19.753 30.846 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -44.583 19.863 30.371 1.00 0.00 H new ATOM 572 N SER A 36 -48.356 16.322 32.009 1.00 0.00 N ATOM 573 CA SER A 36 -49.810 16.020 32.160 1.00 0.00 C ATOM 574 C SER A 36 -50.274 16.267 33.641 1.00 0.00 C ATOM 575 O SER A 36 -50.345 15.367 34.481 1.00 0.00 O ATOM 576 CB SER A 36 -50.033 14.592 31.611 1.00 0.00 C ATOM 577 OG SER A 36 -51.373 14.147 31.831 1.00 0.00 O ATOM 0 H SER A 36 -47.757 15.497 32.001 1.00 0.00 H new ATOM 0 HA SER A 36 -50.446 16.691 31.582 1.00 0.00 H new ATOM 0 HB2 SER A 36 -49.814 14.574 30.543 1.00 0.00 H new ATOM 0 HB3 SER A 36 -49.337 13.904 32.091 1.00 0.00 H new ATOM 0 HG SER A 36 -51.364 13.353 32.406 1.00 0.00 H new ATOM 583 N SER A 37 -50.554 17.543 33.962 1.00 0.00 N ATOM 584 CA SER A 37 -50.740 18.010 35.371 1.00 0.00 C ATOM 585 C SER A 37 -51.988 17.505 36.180 1.00 0.00 C ATOM 586 O SER A 37 -51.980 17.542 37.413 1.00 0.00 O ATOM 587 CB SER A 37 -50.699 19.555 35.335 1.00 0.00 C ATOM 588 OG SER A 37 -49.454 20.072 34.847 1.00 0.00 O ATOM 0 H SER A 37 -50.659 18.283 33.268 1.00 0.00 H new ATOM 0 HA SER A 37 -49.930 17.550 35.937 1.00 0.00 H new ATOM 0 HB2 SER A 37 -51.510 19.920 34.704 1.00 0.00 H new ATOM 0 HB3 SER A 37 -50.878 19.941 36.339 1.00 0.00 H new ATOM 0 HG SER A 37 -48.759 19.386 34.931 1.00 0.00 H new ATOM 594 N SER A 38 -53.059 17.050 35.519 1.00 0.00 N ATOM 595 CA SER A 38 -54.059 16.134 36.134 1.00 0.00 C ATOM 596 C SER A 38 -54.343 14.895 35.216 1.00 0.00 C ATOM 597 O SER A 38 -55.470 14.669 34.762 1.00 0.00 O ATOM 598 CB SER A 38 -55.296 16.987 36.496 1.00 0.00 C ATOM 599 OG SER A 38 -54.991 17.889 37.562 1.00 0.00 O ATOM 0 H SER A 38 -53.266 17.297 34.551 1.00 0.00 H new ATOM 0 HA SER A 38 -53.686 15.681 37.053 1.00 0.00 H new ATOM 0 HB2 SER A 38 -55.626 17.548 35.622 1.00 0.00 H new ATOM 0 HB3 SER A 38 -56.120 16.336 36.788 1.00 0.00 H new ATOM 0 HG SER A 38 -54.024 17.891 37.722 1.00 0.00 H new ATOM 605 N GLY A 39 -53.304 14.078 34.979 1.00 0.00 N ATOM 606 CA GLY A 39 -53.425 12.806 34.225 1.00 0.00 C ATOM 607 C GLY A 39 -52.140 11.961 34.283 1.00 0.00 C ATOM 608 O GLY A 39 -52.131 10.873 34.896 1.00 0.00 O ATOM 609 OXT GLY A 39 -51.115 12.357 33.691 1.00 0.00 O ATOM 0 H GLY A 39 -52.356 14.274 35.301 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -54.255 12.226 34.628 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -53.665 13.026 33.185 1.00 0.00 H new TER 613 GLY A 39