USER MOD reduce.3.24.130724 H: found=0, std=0, add=298, rem=0, adj=14 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 11 SER OG : rot -93:sc= 0.292 USER MOD Set 1.2: A 13 SER OG : rot 180:sc= 0.285 USER MOD Set 2.1: A 1 LYS N :NH3+ -158:sc= 1.26 (180deg=0) USER MOD Set 2.2: A 21 ASN : amide:sc= 0.434 K(o=1.7,f=-5.6) USER MOD Set 2.3: A 24 THR OG1 : rot 127:sc= 0 USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -109:sc= 1.03 (180deg=-0.0399) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0.328 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HE2:sc= 0.098 K(o=0.098,f=-0.52) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0.00173 USER MOD Single : A 28 GLN : amide:sc= -2.15! C(o=-2.2!,f=-7.4!) USER MOD Single : A 33 SER OG : rot 174:sc= 0.7 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot -47:sc= 1.21 USER MOD Single : A 37 SER OG : rot 105:sc= 0.277 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -40.956 12.595 48.337 1.00 0.00 N ATOM 2 CA LYS A 1 -42.175 12.539 47.471 1.00 0.00 C ATOM 3 C LYS A 1 -41.735 12.573 45.964 1.00 0.00 C ATOM 4 O LYS A 1 -41.125 13.555 45.549 1.00 0.00 O ATOM 5 CB LYS A 1 -43.130 13.704 47.881 1.00 0.00 C ATOM 6 CG LYS A 1 -44.532 13.713 47.206 1.00 0.00 C ATOM 7 CD LYS A 1 -45.399 14.919 47.650 1.00 0.00 C ATOM 8 CE LYS A 1 -46.795 14.941 46.984 1.00 0.00 C ATOM 9 NZ LYS A 1 -47.563 16.147 47.425 1.00 0.00 N ATOM 0 H1 LYS A 1 -41.179 12.209 49.276 1.00 0.00 H new ATOM 0 H2 LYS A 1 -40.196 12.033 47.903 1.00 0.00 H new ATOM 0 H3 LYS A 1 -40.644 13.582 48.434 1.00 0.00 H new ATOM 0 HA LYS A 1 -42.731 11.612 47.607 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -43.270 13.668 48.961 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -42.635 14.648 47.655 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -44.410 13.737 46.123 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -45.053 12.787 47.447 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -45.520 14.893 48.733 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -44.874 15.844 47.410 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -46.688 14.947 45.899 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -47.344 14.036 47.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -48.498 16.149 46.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -47.681 16.125 48.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -47.045 17.007 47.154 1.00 0.00 H new ATOM 25 N LEU A 2 -41.957 11.511 45.167 1.00 0.00 N ATOM 26 CA LEU A 2 -40.825 10.794 44.492 1.00 0.00 C ATOM 27 C LEU A 2 -39.556 11.514 43.891 1.00 0.00 C ATOM 28 O LEU A 2 -38.456 11.174 44.333 1.00 0.00 O ATOM 29 CB LEU A 2 -41.335 9.564 43.689 1.00 0.00 C ATOM 30 CG LEU A 2 -41.636 9.543 42.162 1.00 0.00 C ATOM 31 CD1 LEU A 2 -40.357 9.360 41.301 1.00 0.00 C ATOM 32 CD2 LEU A 2 -42.563 8.373 41.832 1.00 0.00 C ATOM 0 H LEU A 2 -42.881 11.127 44.969 1.00 0.00 H new ATOM 0 HA LEU A 2 -40.269 10.508 45.385 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -40.603 8.775 43.858 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -42.258 9.252 44.178 1.00 0.00 H new ATOM 0 HG LEU A 2 -42.091 10.506 41.929 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -40.627 9.353 40.245 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -39.668 10.182 41.494 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -39.877 8.416 41.559 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -42.770 8.364 40.762 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -42.083 7.437 42.117 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -43.498 8.483 42.381 1.00 0.00 H new ATOM 44 N PRO A 3 -39.630 12.463 42.926 1.00 0.00 N ATOM 45 CA PRO A 3 -38.457 12.967 42.170 1.00 0.00 C ATOM 46 C PRO A 3 -37.100 13.436 42.829 1.00 0.00 C ATOM 47 O PRO A 3 -36.072 12.956 42.332 1.00 0.00 O ATOM 48 CB PRO A 3 -39.128 13.803 41.071 1.00 0.00 C ATOM 49 CG PRO A 3 -40.526 14.125 41.602 1.00 0.00 C ATOM 50 CD PRO A 3 -40.845 12.743 42.161 1.00 0.00 C ATOM 0 HA PRO A 3 -37.846 12.135 41.820 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -38.564 14.714 40.871 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -39.182 13.249 40.134 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -40.526 14.905 42.363 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -41.218 14.441 40.822 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -41.736 12.748 42.789 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -41.015 12.009 41.373 1.00 0.00 H new ATOM 58 N PRO A 4 -36.956 14.261 43.911 1.00 0.00 N ATOM 59 CA PRO A 4 -35.625 14.544 44.529 1.00 0.00 C ATOM 60 C PRO A 4 -34.858 13.287 45.070 1.00 0.00 C ATOM 61 O PRO A 4 -35.100 12.766 46.166 1.00 0.00 O ATOM 62 CB PRO A 4 -35.960 15.556 45.627 1.00 0.00 C ATOM 63 CG PRO A 4 -37.442 15.321 45.943 1.00 0.00 C ATOM 64 CD PRO A 4 -38.070 14.928 44.601 1.00 0.00 C ATOM 0 HA PRO A 4 -34.918 14.919 43.789 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -35.339 15.402 46.509 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -35.785 16.578 45.289 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -37.568 14.533 46.685 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -37.907 16.219 46.350 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -38.923 14.262 44.732 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -38.426 15.798 44.049 1.00 0.00 H new ATOM 72 N GLY A 5 -33.947 12.810 44.223 1.00 0.00 N ATOM 73 CA GLY A 5 -33.340 11.472 44.371 1.00 0.00 C ATOM 74 C GLY A 5 -34.191 10.271 43.897 1.00 0.00 C ATOM 75 O GLY A 5 -34.457 9.415 44.741 1.00 0.00 O ATOM 0 H GLY A 5 -33.605 13.331 43.416 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -32.399 11.462 43.821 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -33.096 11.323 45.423 1.00 0.00 H new ATOM 79 N TRP A 6 -34.620 10.151 42.622 1.00 0.00 N ATOM 80 CA TRP A 6 -35.559 9.086 42.208 1.00 0.00 C ATOM 81 C TRP A 6 -34.966 7.999 41.297 1.00 0.00 C ATOM 82 O TRP A 6 -33.901 8.178 40.696 1.00 0.00 O ATOM 83 CB TRP A 6 -36.796 9.790 41.608 1.00 0.00 C ATOM 84 CG TRP A 6 -36.868 10.293 40.137 1.00 0.00 C ATOM 85 CD1 TRP A 6 -36.561 11.578 39.621 1.00 0.00 C ATOM 86 CD2 TRP A 6 -37.561 9.677 39.115 1.00 0.00 C ATOM 87 NE1 TRP A 6 -37.152 11.816 38.370 1.00 0.00 N ATOM 88 CE2 TRP A 6 -37.733 10.614 38.059 1.00 0.00 C ATOM 89 CE3 TRP A 6 -38.108 8.376 39.013 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -38.463 10.263 36.907 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -38.683 8.015 37.798 1.00 0.00 C ATOM 92 CH2 TRP A 6 -38.896 8.945 36.772 1.00 0.00 C ATOM 0 H TRP A 6 -34.334 10.774 41.867 1.00 0.00 H new ATOM 0 HA TRP A 6 -35.834 8.500 43.085 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -37.633 9.104 41.739 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -36.992 10.657 42.239 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -35.939 12.296 40.135 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -37.150 12.677 37.823 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -38.080 7.689 39.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -38.682 10.998 36.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -38.974 6.987 37.641 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -39.401 8.638 35.868 1.00 0.00 H new ATOM 103 N GLU A 7 -35.717 6.895 41.112 1.00 0.00 N ATOM 104 CA GLU A 7 -35.522 6.069 39.909 1.00 0.00 C ATOM 105 C GLU A 7 -36.820 5.234 39.613 1.00 0.00 C ATOM 106 O GLU A 7 -37.452 4.678 40.514 1.00 0.00 O ATOM 107 CB GLU A 7 -34.299 5.125 40.105 1.00 0.00 C ATOM 108 CG GLU A 7 -33.767 4.439 38.817 1.00 0.00 C ATOM 109 CD GLU A 7 -33.271 3.014 38.953 1.00 0.00 C ATOM 110 OE1 GLU A 7 -32.867 2.592 40.060 1.00 0.00 O ATOM 111 OE2 GLU A 7 -33.305 2.304 37.925 1.00 0.00 O ATOM 0 H GLU A 7 -36.437 6.565 41.754 1.00 0.00 H new ATOM 0 HA GLU A 7 -35.327 6.720 39.057 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -33.487 5.700 40.551 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -34.572 4.350 40.821 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -34.563 4.451 38.073 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -32.952 5.045 38.422 1.00 0.00 H new ATOM 118 N LYS A 8 -37.203 5.061 38.341 1.00 0.00 N ATOM 119 CA LYS A 8 -38.063 3.911 37.916 1.00 0.00 C ATOM 120 C LYS A 8 -37.360 2.526 38.164 1.00 0.00 C ATOM 121 O LYS A 8 -36.231 2.311 37.716 1.00 0.00 O ATOM 122 CB LYS A 8 -38.548 4.153 36.456 1.00 0.00 C ATOM 123 CG LYS A 8 -37.502 4.216 35.318 1.00 0.00 C ATOM 124 CD LYS A 8 -37.097 2.826 34.782 1.00 0.00 C ATOM 125 CE LYS A 8 -35.674 2.780 34.186 1.00 0.00 C ATOM 126 NZ LYS A 8 -34.688 2.769 35.334 1.00 0.00 N ATOM 0 H LYS A 8 -36.941 5.689 37.581 1.00 0.00 H new ATOM 0 HA LYS A 8 -38.955 3.857 38.540 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -39.255 3.361 36.209 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -39.103 5.091 36.445 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -37.903 4.811 34.498 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -36.612 4.731 35.680 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -37.165 2.100 35.592 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -37.811 2.519 34.018 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -35.548 1.892 33.567 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -35.502 3.643 33.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -34.195 3.684 35.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -35.196 2.607 36.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -33.994 2.008 35.188 1.00 0.00 H new ATOM 140 N ARG A 9 -37.982 1.610 38.913 1.00 0.00 N ATOM 141 CA ARG A 9 -37.308 0.406 39.455 1.00 0.00 C ATOM 142 C ARG A 9 -38.197 -0.824 39.161 1.00 0.00 C ATOM 143 O ARG A 9 -39.375 -0.890 39.508 1.00 0.00 O ATOM 144 CB ARG A 9 -37.040 0.541 40.975 1.00 0.00 C ATOM 145 CG ARG A 9 -35.915 1.539 41.308 1.00 0.00 C ATOM 146 CD ARG A 9 -35.261 1.321 42.683 1.00 0.00 C ATOM 147 NE ARG A 9 -34.119 2.272 42.739 1.00 0.00 N ATOM 148 CZ ARG A 9 -32.965 2.030 43.308 1.00 0.00 C ATOM 149 NH1 ARG A 9 -32.866 1.480 44.479 1.00 0.00 N ATOM 150 NH2 ARG A 9 -31.902 2.389 42.665 1.00 0.00 N ATOM 0 H ARG A 9 -38.968 1.674 39.166 1.00 0.00 H new ATOM 0 HA ARG A 9 -36.337 0.289 38.973 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -37.957 0.858 41.472 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -36.780 -0.437 41.380 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -35.146 1.472 40.538 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -36.319 2.551 41.267 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -35.970 1.512 43.489 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -34.920 0.292 42.796 1.00 0.00 H new ATOM 0 HE ARG A 9 -34.245 3.184 42.300 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -33.708 1.219 44.992 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -31.947 1.309 44.886 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -31.985 2.840 41.754 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -30.981 2.221 43.069 1.00 0.00 H new ATOM 164 N MET A 10 -37.599 -1.816 38.520 1.00 0.00 N ATOM 165 CA MET A 10 -38.268 -3.125 38.283 1.00 0.00 C ATOM 166 C MET A 10 -38.491 -3.961 39.576 1.00 0.00 C ATOM 167 O MET A 10 -37.621 -4.071 40.448 1.00 0.00 O ATOM 168 CB MET A 10 -37.530 -3.949 37.200 1.00 0.00 C ATOM 169 CG MET A 10 -37.903 -3.550 35.758 1.00 0.00 C ATOM 170 SD MET A 10 -38.517 -4.964 34.818 1.00 0.00 S ATOM 171 CE MET A 10 -40.217 -5.018 35.417 1.00 0.00 C ATOM 0 H MET A 10 -36.651 -1.758 38.147 1.00 0.00 H new ATOM 0 HA MET A 10 -39.264 -2.882 37.913 1.00 0.00 H new ATOM 0 HB2 MET A 10 -36.455 -3.829 37.334 1.00 0.00 H new ATOM 0 HB3 MET A 10 -37.754 -5.006 37.345 1.00 0.00 H new ATOM 0 HG2 MET A 10 -38.663 -2.769 35.781 1.00 0.00 H new ATOM 0 HG3 MET A 10 -37.030 -3.131 35.258 1.00 0.00 H new ATOM 0 HE1 MET A 10 -40.746 -5.840 34.936 1.00 0.00 H new ATOM 0 HE2 MET A 10 -40.218 -5.168 36.497 1.00 0.00 H new ATOM 0 HE3 MET A 10 -40.716 -4.078 35.181 1.00 0.00 H new ATOM 181 N SER A 11 -39.678 -4.581 39.653 1.00 0.00 N ATOM 182 CA SER A 11 -40.005 -5.556 40.740 1.00 0.00 C ATOM 183 C SER A 11 -39.003 -6.753 40.881 1.00 0.00 C ATOM 184 O SER A 11 -38.627 -7.401 39.900 1.00 0.00 O ATOM 185 CB SER A 11 -41.450 -6.057 40.566 1.00 0.00 C ATOM 186 OG SER A 11 -41.832 -6.935 41.632 1.00 0.00 O ATOM 0 H SER A 11 -40.435 -4.435 38.985 1.00 0.00 H new ATOM 0 HA SER A 11 -39.904 -5.009 41.677 1.00 0.00 H new ATOM 0 HB2 SER A 11 -42.130 -5.206 40.533 1.00 0.00 H new ATOM 0 HB3 SER A 11 -41.544 -6.577 39.613 1.00 0.00 H new ATOM 0 HG SER A 11 -41.651 -7.863 41.373 1.00 0.00 H new ATOM 192 N ARG A 12 -38.600 -7.056 42.125 1.00 0.00 N ATOM 193 CA ARG A 12 -37.638 -8.156 42.440 1.00 0.00 C ATOM 194 C ARG A 12 -38.248 -9.610 42.441 1.00 0.00 C ATOM 195 O ARG A 12 -38.119 -10.372 43.401 1.00 0.00 O ATOM 196 CB ARG A 12 -36.917 -7.719 43.752 1.00 0.00 C ATOM 197 CG ARG A 12 -37.773 -7.697 45.056 1.00 0.00 C ATOM 198 CD ARG A 12 -37.219 -6.833 46.203 1.00 0.00 C ATOM 199 NE ARG A 12 -37.423 -5.382 45.914 1.00 0.00 N ATOM 200 CZ ARG A 12 -37.400 -4.401 46.809 1.00 0.00 C ATOM 201 NH1 ARG A 12 -37.196 -4.590 48.082 1.00 0.00 N ATOM 202 NH2 ARG A 12 -37.589 -3.187 46.402 1.00 0.00 N ATOM 0 H ARG A 12 -38.925 -6.552 42.950 1.00 0.00 H new ATOM 0 HA ARG A 12 -36.913 -8.276 41.635 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -36.071 -8.388 43.913 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -36.509 -6.720 43.598 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -38.772 -7.340 44.807 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -37.880 -8.720 45.416 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -37.716 -7.097 47.137 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -36.157 -7.037 46.338 1.00 0.00 H new ATOM 0 HE ARG A 12 -37.595 -5.121 44.943 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -37.042 -5.533 48.439 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -37.190 -3.795 48.721 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -37.751 -3.000 45.412 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -37.576 -2.417 47.071 1.00 0.00 H new ATOM 216 N SER A 13 -38.948 -9.963 41.352 1.00 0.00 N ATOM 217 CA SER A 13 -39.775 -11.184 41.221 1.00 0.00 C ATOM 218 C SER A 13 -40.095 -11.381 39.695 1.00 0.00 C ATOM 219 O SER A 13 -39.220 -11.817 38.943 1.00 0.00 O ATOM 220 CB SER A 13 -40.997 -11.077 42.182 1.00 0.00 C ATOM 221 OG SER A 13 -41.751 -9.875 41.988 1.00 0.00 O ATOM 0 H SER A 13 -38.958 -9.391 40.508 1.00 0.00 H new ATOM 0 HA SER A 13 -39.266 -12.095 41.536 1.00 0.00 H new ATOM 0 HB2 SER A 13 -41.649 -11.938 42.031 1.00 0.00 H new ATOM 0 HB3 SER A 13 -40.647 -11.119 43.214 1.00 0.00 H new ATOM 0 HG SER A 13 -42.506 -9.858 42.613 1.00 0.00 H new ATOM 227 N SER A 14 -41.310 -11.037 39.226 1.00 0.00 N ATOM 228 CA SER A 14 -41.682 -11.001 37.781 1.00 0.00 C ATOM 229 C SER A 14 -43.070 -10.293 37.639 1.00 0.00 C ATOM 230 O SER A 14 -44.093 -10.837 38.073 1.00 0.00 O ATOM 231 CB SER A 14 -41.719 -12.419 37.150 1.00 0.00 C ATOM 232 OG SER A 14 -41.955 -12.336 35.743 1.00 0.00 O ATOM 0 H SER A 14 -42.078 -10.771 39.842 1.00 0.00 H new ATOM 0 HA SER A 14 -40.920 -10.442 37.238 1.00 0.00 H new ATOM 0 HB2 SER A 14 -40.775 -12.931 37.337 1.00 0.00 H new ATOM 0 HB3 SER A 14 -42.502 -13.013 37.621 1.00 0.00 H new ATOM 0 HG SER A 14 -41.974 -13.238 35.361 1.00 0.00 H new ATOM 238 N GLY A 15 -43.143 -9.082 37.051 1.00 0.00 N ATOM 239 CA GLY A 15 -44.462 -8.449 36.778 1.00 0.00 C ATOM 240 C GLY A 15 -44.518 -6.975 36.338 1.00 0.00 C ATOM 241 O GLY A 15 -45.067 -6.674 35.275 1.00 0.00 O ATOM 0 H GLY A 15 -42.335 -8.532 36.761 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -44.954 -9.040 36.005 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -45.063 -8.543 37.682 1.00 0.00 H new ATOM 245 N ARG A 16 -44.149 -6.045 37.232 1.00 0.00 N ATOM 246 CA ARG A 16 -44.307 -4.582 37.011 1.00 0.00 C ATOM 247 C ARG A 16 -43.029 -3.787 37.407 1.00 0.00 C ATOM 248 O ARG A 16 -42.172 -4.223 38.174 1.00 0.00 O ATOM 249 CB ARG A 16 -45.546 -4.043 37.803 1.00 0.00 C ATOM 250 CG ARG A 16 -46.933 -4.237 37.153 1.00 0.00 C ATOM 251 CD ARG A 16 -47.542 -5.611 37.466 1.00 0.00 C ATOM 252 NE ARG A 16 -48.894 -5.746 36.856 1.00 0.00 N ATOM 253 CZ ARG A 16 -49.141 -6.213 35.632 1.00 0.00 C ATOM 254 NH1 ARG A 16 -48.209 -6.563 34.784 1.00 0.00 N ATOM 255 NH2 ARG A 16 -50.375 -6.324 35.258 1.00 0.00 N ATOM 0 H ARG A 16 -43.731 -6.277 38.133 1.00 0.00 H new ATOM 0 HA ARG A 16 -44.467 -4.431 35.943 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -45.559 -4.526 38.780 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -45.399 -2.977 37.976 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -47.607 -3.456 37.504 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -46.844 -4.120 36.073 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -46.888 -6.397 37.088 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -47.611 -5.745 38.546 1.00 0.00 H new ATOM 0 HE ARG A 16 -49.694 -5.458 37.419 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -47.226 -6.485 35.046 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -48.465 -6.914 33.861 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -51.127 -6.057 35.894 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -50.596 -6.678 34.327 1.00 0.00 H new ATOM 269 N VAL A 17 -42.966 -2.560 36.894 1.00 0.00 N ATOM 270 CA VAL A 17 -42.056 -1.495 37.393 1.00 0.00 C ATOM 271 C VAL A 17 -42.820 -0.610 38.435 1.00 0.00 C ATOM 272 O VAL A 17 -43.952 -0.163 38.229 1.00 0.00 O ATOM 273 CB VAL A 17 -41.317 -0.729 36.234 1.00 0.00 C ATOM 274 CG1 VAL A 17 -42.094 -0.569 34.919 1.00 0.00 C ATOM 275 CG2 VAL A 17 -40.779 0.670 36.620 1.00 0.00 C ATOM 0 H VAL A 17 -43.546 -2.260 36.111 1.00 0.00 H new ATOM 0 HA VAL A 17 -41.220 -1.940 37.933 1.00 0.00 H new ATOM 0 HB VAL A 17 -40.489 -1.417 36.063 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -41.482 -0.026 34.199 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -42.338 -1.553 34.519 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -43.014 -0.014 35.105 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -40.286 1.121 35.759 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -41.607 1.304 36.937 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -40.064 0.572 37.437 1.00 0.00 H new ATOM 285 N TYR A 18 -42.132 -0.375 39.551 1.00 0.00 N ATOM 286 CA TYR A 18 -42.591 0.459 40.681 1.00 0.00 C ATOM 287 C TYR A 18 -41.698 1.747 40.738 1.00 0.00 C ATOM 288 O TYR A 18 -40.477 1.623 40.569 1.00 0.00 O ATOM 289 CB TYR A 18 -42.558 -0.470 41.943 1.00 0.00 C ATOM 290 CG TYR A 18 -41.196 -0.869 42.518 1.00 0.00 C ATOM 291 CD1 TYR A 18 -40.486 0.068 43.266 1.00 0.00 C ATOM 292 CD2 TYR A 18 -40.634 -2.120 42.267 1.00 0.00 C ATOM 293 CE1 TYR A 18 -39.222 -0.226 43.743 1.00 0.00 C ATOM 294 CE2 TYR A 18 -39.359 -2.421 42.742 1.00 0.00 C ATOM 295 CZ TYR A 18 -38.649 -1.471 43.478 1.00 0.00 C ATOM 296 OH TYR A 18 -37.355 -1.714 43.845 1.00 0.00 O ATOM 0 H TYR A 18 -41.205 -0.771 39.707 1.00 0.00 H new ATOM 0 HA TYR A 18 -43.609 0.839 40.594 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -43.120 0.025 42.735 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -43.095 -1.386 41.695 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -40.927 1.032 43.475 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -41.188 -2.857 41.704 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -38.678 0.507 44.320 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -38.921 -3.388 42.541 1.00 0.00 H new ATOM 0 HH TYR A 18 -37.109 -2.628 43.590 1.00 0.00 H new ATOM 306 N TYR A 19 -42.212 2.984 40.928 1.00 0.00 N ATOM 307 CA TYR A 19 -41.316 4.176 40.816 1.00 0.00 C ATOM 308 C TYR A 19 -40.904 4.668 42.233 1.00 0.00 C ATOM 309 O TYR A 19 -41.660 4.547 43.204 1.00 0.00 O ATOM 310 CB TYR A 19 -41.942 5.266 39.933 1.00 0.00 C ATOM 311 CG TYR A 19 -41.990 5.111 38.410 1.00 0.00 C ATOM 312 CD1 TYR A 19 -42.705 4.091 37.771 1.00 0.00 C ATOM 313 CD2 TYR A 19 -41.452 6.141 37.648 1.00 0.00 C ATOM 314 CE1 TYR A 19 -42.836 4.093 36.382 1.00 0.00 C ATOM 315 CE2 TYR A 19 -41.533 6.111 36.258 1.00 0.00 C ATOM 316 CZ TYR A 19 -42.233 5.092 35.627 1.00 0.00 C ATOM 317 OH TYR A 19 -42.362 5.099 34.266 1.00 0.00 O ATOM 0 H TYR A 19 -43.187 3.187 41.148 1.00 0.00 H new ATOM 0 HA TYR A 19 -40.395 3.892 40.306 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -42.968 5.403 40.273 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -41.410 6.194 40.144 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -43.156 3.302 38.354 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -40.967 6.972 38.138 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -43.407 3.317 35.893 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -41.052 6.880 35.672 1.00 0.00 H new ATOM 0 HH TYR A 19 -41.879 5.867 33.896 1.00 0.00 H new ATOM 327 N PHE A 20 -39.661 5.153 42.369 1.00 0.00 N ATOM 328 CA PHE A 20 -38.967 5.161 43.683 1.00 0.00 C ATOM 329 C PHE A 20 -38.312 6.511 44.097 1.00 0.00 C ATOM 330 O PHE A 20 -37.885 7.297 43.259 1.00 0.00 O ATOM 331 CB PHE A 20 -38.017 3.920 43.704 1.00 0.00 C ATOM 332 CG PHE A 20 -37.327 3.600 45.045 1.00 0.00 C ATOM 333 CD1 PHE A 20 -38.053 3.060 46.089 1.00 0.00 C ATOM 334 CD2 PHE A 20 -35.988 3.894 45.235 1.00 0.00 C ATOM 335 CE1 PHE A 20 -37.456 2.813 47.320 1.00 0.00 C ATOM 336 CE2 PHE A 20 -35.373 3.641 46.458 1.00 0.00 C ATOM 337 CZ PHE A 20 -36.075 3.070 47.558 1.00 0.00 C ATOM 0 H PHE A 20 -39.114 5.542 41.601 1.00 0.00 H new ATOM 0 HA PHE A 20 -39.706 5.072 44.479 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -38.592 3.046 43.400 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -37.244 4.070 42.951 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -39.098 2.827 45.947 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -35.415 4.324 44.427 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -38.059 2.413 48.122 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -34.328 3.886 46.577 1.00 0.00 H new ATOM 0 HZ PHE A 20 -35.597 2.849 48.501 1.00 0.00 H new ATOM 347 N ASN A 21 -38.225 6.751 45.417 1.00 0.00 N ATOM 348 CA ASN A 21 -37.429 7.836 46.033 1.00 0.00 C ATOM 349 C ASN A 21 -36.308 7.237 46.948 1.00 0.00 C ATOM 350 O ASN A 21 -36.610 6.435 47.833 1.00 0.00 O ATOM 351 CB ASN A 21 -38.405 8.710 46.877 1.00 0.00 C ATOM 352 CG ASN A 21 -38.036 10.163 47.196 1.00 0.00 C ATOM 353 OD1 ASN A 21 -38.909 11.010 47.357 1.00 0.00 O ATOM 354 ND2 ASN A 21 -36.790 10.502 47.383 1.00 0.00 N ATOM 0 H ASN A 21 -38.718 6.183 46.106 1.00 0.00 H new ATOM 0 HA ASN A 21 -36.943 8.437 45.264 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -39.363 8.723 46.358 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -38.564 8.198 47.826 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -36.557 11.456 47.658 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -36.049 9.813 47.254 1.00 0.00 H new ATOM 361 N HIS A 22 -35.046 7.675 46.816 1.00 0.00 N ATOM 362 CA HIS A 22 -33.924 7.205 47.692 1.00 0.00 C ATOM 363 C HIS A 22 -33.901 7.846 49.127 1.00 0.00 C ATOM 364 O HIS A 22 -33.767 7.138 50.123 1.00 0.00 O ATOM 365 CB HIS A 22 -32.549 7.438 46.993 1.00 0.00 C ATOM 366 CG HIS A 22 -32.328 6.949 45.562 1.00 0.00 C ATOM 367 ND1 HIS A 22 -33.063 5.968 44.937 1.00 0.00 N ATOM 368 CD2 HIS A 22 -31.559 7.643 44.618 1.00 0.00 C ATOM 369 CE1 HIS A 22 -32.738 6.229 43.638 1.00 0.00 C ATOM 370 NE2 HIS A 22 -31.801 7.178 43.339 1.00 0.00 N ATOM 0 H HIS A 22 -34.761 8.357 46.113 1.00 0.00 H new ATOM 0 HA HIS A 22 -34.105 6.140 47.838 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -32.358 8.511 47.002 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -31.785 6.973 47.616 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -33.674 5.253 45.331 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -30.868 8.437 44.858 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -33.223 5.683 42.842 1.00 0.00 H new ATOM 378 N ILE A 23 -33.997 9.187 49.213 1.00 0.00 N ATOM 379 CA ILE A 23 -33.826 9.965 50.487 1.00 0.00 C ATOM 380 C ILE A 23 -35.066 9.860 51.452 1.00 0.00 C ATOM 381 O ILE A 23 -34.908 9.654 52.655 1.00 0.00 O ATOM 382 CB ILE A 23 -33.423 11.454 50.148 1.00 0.00 C ATOM 383 CG1 ILE A 23 -32.307 11.666 49.074 1.00 0.00 C ATOM 384 CG2 ILE A 23 -33.059 12.279 51.411 1.00 0.00 C ATOM 385 CD1 ILE A 23 -30.957 10.970 49.337 1.00 0.00 C ATOM 0 H ILE A 23 -34.196 9.777 48.405 1.00 0.00 H new ATOM 0 HA ILE A 23 -33.012 9.513 51.054 1.00 0.00 H new ATOM 0 HB ILE A 23 -34.344 11.820 49.694 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -32.688 11.319 48.113 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -32.126 12.736 48.977 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -32.790 13.294 51.118 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -33.916 12.311 52.084 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -32.215 11.813 51.919 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -30.268 11.193 48.523 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -30.538 11.332 50.276 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -31.109 9.892 49.399 1.00 0.00 H new ATOM 397 N THR A 24 -36.297 9.982 50.923 1.00 0.00 N ATOM 398 CA THR A 24 -37.527 9.456 51.595 1.00 0.00 C ATOM 399 C THR A 24 -37.549 7.904 51.872 1.00 0.00 C ATOM 400 O THR A 24 -37.938 7.486 52.961 1.00 0.00 O ATOM 401 CB THR A 24 -38.737 9.926 50.733 1.00 0.00 C ATOM 402 OG1 THR A 24 -38.805 11.348 50.635 1.00 0.00 O ATOM 403 CG2 THR A 24 -40.114 9.453 51.192 1.00 0.00 C ATOM 0 H THR A 24 -36.480 10.440 50.030 1.00 0.00 H new ATOM 0 HA THR A 24 -37.565 9.861 52.606 1.00 0.00 H new ATOM 0 HB THR A 24 -38.525 9.455 49.773 1.00 0.00 H new ATOM 0 HG1 THR A 24 -38.849 11.609 49.691 1.00 0.00 H new ATOM 0 HG21 THR A 24 -40.876 9.842 50.517 1.00 0.00 H new ATOM 0 HG22 THR A 24 -40.145 8.363 51.186 1.00 0.00 H new ATOM 0 HG23 THR A 24 -40.305 9.816 52.202 1.00 0.00 H new ATOM 411 N ASN A 25 -37.228 7.084 50.852 1.00 0.00 N ATOM 412 CA ASN A 25 -37.393 5.596 50.853 1.00 0.00 C ATOM 413 C ASN A 25 -38.894 5.175 50.653 1.00 0.00 C ATOM 414 O ASN A 25 -39.559 4.714 51.585 1.00 0.00 O ATOM 415 CB ASN A 25 -36.615 4.905 52.011 1.00 0.00 C ATOM 416 CG ASN A 25 -36.426 3.398 51.852 1.00 0.00 C ATOM 417 OD1 ASN A 25 -35.498 2.918 51.215 1.00 0.00 O ATOM 418 ND2 ASN A 25 -37.303 2.599 52.398 1.00 0.00 N ATOM 0 H ASN A 25 -36.836 7.435 49.978 1.00 0.00 H new ATOM 0 HA ASN A 25 -36.898 5.191 49.970 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -35.634 5.372 52.099 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -37.142 5.093 52.946 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -37.209 1.589 52.291 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -38.082 2.985 52.932 1.00 0.00 H new ATOM 425 N ALA A 26 -39.428 5.360 49.428 1.00 0.00 N ATOM 426 CA ALA A 26 -40.855 5.093 49.114 1.00 0.00 C ATOM 427 C ALA A 26 -41.065 4.569 47.656 1.00 0.00 C ATOM 428 O ALA A 26 -40.790 5.269 46.676 1.00 0.00 O ATOM 429 CB ALA A 26 -41.658 6.382 49.384 1.00 0.00 C ATOM 0 H ALA A 26 -38.889 5.697 48.630 1.00 0.00 H new ATOM 0 HA ALA A 26 -41.216 4.291 49.758 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -42.711 6.209 49.160 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -41.552 6.664 50.431 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -41.280 7.185 48.752 1.00 0.00 H new ATOM 435 N SER A 27 -41.575 3.335 47.534 1.00 0.00 N ATOM 436 CA SER A 27 -41.962 2.702 46.246 1.00 0.00 C ATOM 437 C SER A 27 -43.479 2.802 45.909 1.00 0.00 C ATOM 438 O SER A 27 -44.343 2.629 46.775 1.00 0.00 O ATOM 439 CB SER A 27 -41.592 1.201 46.340 1.00 0.00 C ATOM 440 OG SER A 27 -42.146 0.547 47.488 1.00 0.00 O ATOM 0 H SER A 27 -41.737 2.729 48.339 1.00 0.00 H new ATOM 0 HA SER A 27 -41.434 3.235 45.455 1.00 0.00 H new ATOM 0 HB2 SER A 27 -41.938 0.693 45.440 1.00 0.00 H new ATOM 0 HB3 SER A 27 -40.507 1.103 46.364 1.00 0.00 H new ATOM 0 HG SER A 27 -41.878 -0.396 47.489 1.00 0.00 H new ATOM 446 N GLN A 28 -43.791 3.004 44.623 1.00 0.00 N ATOM 447 CA GLN A 28 -45.211 3.134 44.147 1.00 0.00 C ATOM 448 C GLN A 28 -45.378 2.509 42.727 1.00 0.00 C ATOM 449 O GLN A 28 -44.763 1.491 42.447 1.00 0.00 O ATOM 450 CB GLN A 28 -45.727 4.584 44.441 1.00 0.00 C ATOM 451 CG GLN A 28 -44.826 5.743 43.978 1.00 0.00 C ATOM 452 CD GLN A 28 -45.018 6.025 42.537 1.00 0.00 C ATOM 453 OE1 GLN A 28 -44.438 5.331 41.740 1.00 0.00 O ATOM 454 NE2 GLN A 28 -45.870 6.908 42.120 1.00 0.00 N ATOM 0 H GLN A 28 -43.096 3.084 43.881 1.00 0.00 H new ATOM 0 HA GLN A 28 -45.917 2.525 44.711 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -46.702 4.701 43.969 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -45.880 4.680 45.516 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -45.051 6.637 44.560 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -43.782 5.494 44.167 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -46.363 7.497 42.791 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -46.047 7.014 41.121 1.00 0.00 H new ATOM 463 N TRP A 29 -46.219 3.024 41.831 1.00 0.00 N ATOM 464 CA TRP A 29 -46.345 2.525 40.423 1.00 0.00 C ATOM 465 C TRP A 29 -46.240 3.570 39.256 1.00 0.00 C ATOM 466 O TRP A 29 -46.194 3.164 38.091 1.00 0.00 O ATOM 467 CB TRP A 29 -47.659 1.702 40.307 1.00 0.00 C ATOM 468 CG TRP A 29 -47.898 0.557 41.274 1.00 0.00 C ATOM 469 CD1 TRP A 29 -48.889 0.517 42.255 1.00 0.00 C ATOM 470 CD2 TRP A 29 -47.243 -0.644 41.339 1.00 0.00 C ATOM 471 NE1 TRP A 29 -48.881 -0.713 42.930 1.00 0.00 N ATOM 472 CE2 TRP A 29 -47.829 -1.406 42.366 1.00 0.00 C ATOM 473 CE3 TRP A 29 -46.183 -1.159 40.571 1.00 0.00 C ATOM 474 CZ2 TRP A 29 -47.342 -2.700 42.656 1.00 0.00 C ATOM 475 CZ3 TRP A 29 -45.682 -2.422 40.893 1.00 0.00 C ATOM 476 CH2 TRP A 29 -46.258 -3.186 41.919 1.00 0.00 C ATOM 0 H TRP A 29 -46.843 3.803 42.042 1.00 0.00 H new ATOM 0 HA TRP A 29 -45.451 1.921 40.267 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -48.493 2.397 40.408 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -47.704 1.295 39.297 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -49.572 1.326 42.467 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -49.510 -1.025 43.670 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -45.767 -0.591 39.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -47.797 -3.300 43.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -44.839 -2.816 40.345 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -45.858 -4.164 42.143 1.00 0.00 H new ATOM 487 N GLU A 30 -46.212 4.884 39.538 1.00 0.00 N ATOM 488 CA GLU A 30 -46.327 5.960 38.526 1.00 0.00 C ATOM 489 C GLU A 30 -45.169 7.023 38.530 1.00 0.00 C ATOM 490 O GLU A 30 -44.710 7.511 39.560 1.00 0.00 O ATOM 491 CB GLU A 30 -47.759 6.564 38.701 1.00 0.00 C ATOM 492 CG GLU A 30 -48.095 7.723 37.729 1.00 0.00 C ATOM 493 CD GLU A 30 -49.500 8.283 37.666 1.00 0.00 C ATOM 494 OE1 GLU A 30 -50.489 7.538 37.694 1.00 0.00 O ATOM 495 OE2 GLU A 30 -49.612 9.506 37.435 1.00 0.00 O ATOM 0 H GLU A 30 -46.107 5.239 40.489 1.00 0.00 H new ATOM 0 HA GLU A 30 -46.200 5.539 37.528 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -48.493 5.770 38.565 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -47.864 6.924 39.724 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -47.428 8.551 37.971 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -47.836 7.388 36.725 1.00 0.00 H new ATOM 502 N ARG A 31 -44.780 7.465 37.322 1.00 0.00 N ATOM 503 CA ARG A 31 -43.985 8.709 37.080 1.00 0.00 C ATOM 504 C ARG A 31 -44.532 10.014 37.761 1.00 0.00 C ATOM 505 O ARG A 31 -45.751 10.183 37.719 1.00 0.00 O ATOM 506 CB ARG A 31 -43.760 8.736 35.523 1.00 0.00 C ATOM 507 CG ARG A 31 -43.873 10.076 34.735 1.00 0.00 C ATOM 508 CD ARG A 31 -45.111 10.200 33.814 1.00 0.00 C ATOM 509 NE ARG A 31 -46.393 9.987 34.549 1.00 0.00 N ATOM 510 CZ ARG A 31 -47.569 9.725 33.991 1.00 0.00 C ATOM 511 NH1 ARG A 31 -47.806 9.798 32.716 1.00 0.00 N ATOM 512 NH2 ARG A 31 -48.550 9.379 34.743 1.00 0.00 N ATOM 0 H ARG A 31 -45.007 6.967 36.461 1.00 0.00 H new ATOM 0 HA ARG A 31 -43.024 8.687 37.594 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -42.765 8.333 35.334 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -44.474 8.041 35.082 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -43.889 10.899 35.450 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -42.976 10.198 34.128 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -45.120 11.188 33.353 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -45.034 9.472 33.006 1.00 0.00 H new ATOM 0 HE ARG A 31 -46.363 10.048 35.567 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -47.062 10.071 32.074 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -48.736 9.582 32.357 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -48.419 9.309 35.752 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -49.460 9.174 34.331 1.00 0.00 H new ATOM 526 N PRO A 32 -43.736 10.991 38.314 1.00 0.00 N ATOM 527 CA PRO A 32 -44.316 12.214 38.960 1.00 0.00 C ATOM 528 C PRO A 32 -45.228 13.192 38.137 1.00 0.00 C ATOM 529 O PRO A 32 -45.724 14.172 38.697 1.00 0.00 O ATOM 530 CB PRO A 32 -43.044 12.922 39.464 1.00 0.00 C ATOM 531 CG PRO A 32 -41.893 12.432 38.591 1.00 0.00 C ATOM 532 CD PRO A 32 -42.253 10.989 38.302 1.00 0.00 C ATOM 0 HA PRO A 32 -45.057 11.901 39.696 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -43.150 14.005 39.393 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -42.861 12.688 40.513 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -41.809 13.015 37.674 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -40.936 12.511 39.108 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -41.860 10.663 37.339 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -41.847 10.315 39.057 1.00 0.00 H new ATOM 540 N SER A 33 -45.470 12.903 36.847 1.00 0.00 N ATOM 541 CA SER A 33 -46.641 13.446 36.079 1.00 0.00 C ATOM 542 C SER A 33 -46.627 14.950 35.631 1.00 0.00 C ATOM 543 O SER A 33 -46.873 15.234 34.454 1.00 0.00 O ATOM 544 CB SER A 33 -47.996 12.993 36.695 1.00 0.00 C ATOM 545 OG SER A 33 -48.094 11.566 36.674 1.00 0.00 O ATOM 0 H SER A 33 -44.871 12.290 36.294 1.00 0.00 H new ATOM 0 HA SER A 33 -46.512 12.968 35.108 1.00 0.00 H new ATOM 0 HB2 SER A 33 -48.078 13.356 37.720 1.00 0.00 H new ATOM 0 HB3 SER A 33 -48.823 13.430 36.135 1.00 0.00 H new ATOM 0 HG SER A 33 -48.906 11.287 37.146 1.00 0.00 H new ATOM 551 N GLY A 34 -46.406 15.918 36.538 1.00 0.00 N ATOM 552 CA GLY A 34 -46.568 17.370 36.243 1.00 0.00 C ATOM 553 C GLY A 34 -48.021 17.899 36.294 1.00 0.00 C ATOM 554 O GLY A 34 -48.394 18.629 37.213 1.00 0.00 O ATOM 0 H GLY A 34 -46.111 15.726 37.495 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -45.968 17.937 36.954 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -46.161 17.570 35.252 1.00 0.00 H new ATOM 558 N ASN A 35 -48.836 17.510 35.304 1.00 0.00 N ATOM 559 CA ASN A 35 -50.314 17.669 35.356 1.00 0.00 C ATOM 560 C ASN A 35 -51.036 16.287 35.181 1.00 0.00 C ATOM 561 O ASN A 35 -51.579 15.762 36.155 1.00 0.00 O ATOM 562 CB ASN A 35 -50.782 18.774 34.360 1.00 0.00 C ATOM 563 CG ASN A 35 -50.333 20.230 34.545 1.00 0.00 C ATOM 564 OD1 ASN A 35 -50.143 20.958 33.581 1.00 0.00 O ATOM 565 ND2 ASN A 35 -50.182 20.743 35.739 1.00 0.00 N ATOM 0 H ASN A 35 -48.501 17.077 34.444 1.00 0.00 H new ATOM 0 HA ASN A 35 -50.608 18.021 36.345 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -50.466 18.464 33.364 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -51.872 18.770 34.364 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -49.914 21.722 35.843 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -50.332 20.164 36.565 1.00 0.00 H new ATOM 572 N SER A 36 -51.035 15.688 33.975 1.00 0.00 N ATOM 573 CA SER A 36 -51.844 14.472 33.669 1.00 0.00 C ATOM 574 C SER A 36 -51.242 13.112 34.163 1.00 0.00 C ATOM 575 O SER A 36 -50.080 12.775 33.895 1.00 0.00 O ATOM 576 CB SER A 36 -52.056 14.450 32.135 1.00 0.00 C ATOM 577 OG SER A 36 -53.041 15.411 31.748 1.00 0.00 O ATOM 0 H SER A 36 -50.482 16.022 33.186 1.00 0.00 H new ATOM 0 HA SER A 36 -52.778 14.551 34.225 1.00 0.00 H new ATOM 0 HB2 SER A 36 -51.114 14.663 31.629 1.00 0.00 H new ATOM 0 HB3 SER A 36 -52.368 13.454 31.820 1.00 0.00 H new ATOM 0 HG SER A 36 -53.819 15.338 32.339 1.00 0.00 H new ATOM 583 N SER A 37 -52.080 12.292 34.821 1.00 0.00 N ATOM 584 CA SER A 37 -51.783 10.857 35.076 1.00 0.00 C ATOM 585 C SER A 37 -51.990 9.954 33.806 1.00 0.00 C ATOM 586 O SER A 37 -51.025 9.385 33.277 1.00 0.00 O ATOM 587 CB SER A 37 -52.577 10.402 36.326 1.00 0.00 C ATOM 588 OG SER A 37 -52.423 8.998 36.567 1.00 0.00 O ATOM 0 H SER A 37 -52.980 12.596 35.193 1.00 0.00 H new ATOM 0 HA SER A 37 -50.722 10.735 35.293 1.00 0.00 H new ATOM 0 HB2 SER A 37 -52.236 10.961 37.198 1.00 0.00 H new ATOM 0 HB3 SER A 37 -53.633 10.635 36.191 1.00 0.00 H new ATOM 0 HG SER A 37 -51.812 8.861 37.321 1.00 0.00 H new ATOM 594 N SER A 38 -53.237 9.851 33.319 1.00 0.00 N ATOM 595 CA SER A 38 -53.574 9.275 31.983 1.00 0.00 C ATOM 596 C SER A 38 -54.251 10.359 31.077 1.00 0.00 C ATOM 597 O SER A 38 -53.716 10.707 30.022 1.00 0.00 O ATOM 598 CB SER A 38 -54.430 8.001 32.187 1.00 0.00 C ATOM 599 OG SER A 38 -53.699 6.990 32.882 1.00 0.00 O ATOM 0 H SER A 38 -54.057 10.165 33.838 1.00 0.00 H new ATOM 0 HA SER A 38 -52.672 8.972 31.451 1.00 0.00 H new ATOM 0 HB2 SER A 38 -55.331 8.251 32.747 1.00 0.00 H new ATOM 0 HB3 SER A 38 -54.753 7.618 31.219 1.00 0.00 H new ATOM 0 HG SER A 38 -54.265 6.198 32.998 1.00 0.00 H new ATOM 605 N GLY A 39 -55.391 10.931 31.506 1.00 0.00 N ATOM 606 CA GLY A 39 -55.590 12.397 31.401 1.00 0.00 C ATOM 607 C GLY A 39 -55.199 13.160 32.687 1.00 0.00 C ATOM 608 O GLY A 39 -54.857 12.552 33.733 1.00 0.00 O ATOM 609 OXT GLY A 39 -55.203 14.408 32.634 1.00 0.00 O ATOM 0 H GLY A 39 -56.172 10.421 31.919 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -55.000 12.778 30.567 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -56.636 12.599 31.170 1.00 0.00 H new TER 613 GLY A 39