USER MOD reduce.3.24.130724 H: found=0, std=0, add=298, rem=0, adj=17 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 NZ :NH3+ 167:sc= 1.73 (180deg=0.941) USER MOD Set 1.2: A 38 SER OG : rot -54:sc= 0.826 USER MOD Set 2.1: A 21 ASN :FLIP amide:sc= -0.114 F(o=-1.6,f=-0.25) USER MOD Set 2.2: A 24 THR OG1 : rot -170:sc= -0.134 USER MOD Set 3.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 14 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 1 LYS N :NH3+ -149:sc= 1.34 (180deg=0.0373) USER MOD Set 4.2: A 28 GLN : amide:sc= -1.8 K(o=-0.46,f=-5.8!) USER MOD Single : A 8 LYS NZ :NH3+ -107:sc= 1.65 (180deg=-0.387) USER MOD Single : A 10 MET CE :methyl -173:sc= 0 (180deg=-0.0388) USER MOD Single : A 11 SER OG : rot 24:sc= 0.99 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HE2:sc= 0.561 K(o=0.56,f=-2.1!) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 27 SER OG : rot 35:sc= 0.0634 USER MOD Single : A 33 SER OG : rot -144:sc= 0.171! USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot -168:sc= 1.27 USER MOD Single : A 37 SER OG : rot -51:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -47.266 9.830 44.745 1.00 0.00 N ATOM 2 CA LYS A 1 -46.535 10.907 44.029 1.00 0.00 C ATOM 3 C LYS A 1 -45.077 11.072 44.590 1.00 0.00 C ATOM 4 O LYS A 1 -44.895 11.405 45.760 1.00 0.00 O ATOM 5 CB LYS A 1 -47.397 12.206 44.036 1.00 0.00 C ATOM 6 CG LYS A 1 -48.671 12.197 43.131 1.00 0.00 C ATOM 7 CD LYS A 1 -48.514 12.969 41.795 1.00 0.00 C ATOM 8 CE LYS A 1 -49.588 12.648 40.724 1.00 0.00 C ATOM 9 NZ LYS A 1 -49.159 11.476 39.895 1.00 0.00 N ATOM 0 H1 LYS A 1 -47.945 9.382 44.098 1.00 0.00 H new ATOM 0 H2 LYS A 1 -46.589 9.117 45.084 1.00 0.00 H new ATOM 0 H3 LYS A 1 -47.776 10.236 45.555 1.00 0.00 H new ATOM 0 HA LYS A 1 -46.390 10.642 42.982 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -47.708 12.405 45.062 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -46.764 13.038 43.727 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -48.937 11.163 42.910 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -49.502 12.628 43.690 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -48.540 14.038 42.005 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -47.531 12.750 41.379 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -50.541 12.431 41.207 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -49.745 13.517 40.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -49.966 11.132 39.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -48.392 11.766 39.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -48.821 10.715 40.518 1.00 0.00 H new ATOM 25 N LEU A 2 -44.058 10.802 43.756 1.00 0.00 N ATOM 26 CA LEU A 2 -42.644 10.594 44.199 1.00 0.00 C ATOM 27 C LEU A 2 -41.813 11.837 44.763 1.00 0.00 C ATOM 28 O LEU A 2 -41.476 11.797 45.943 1.00 0.00 O ATOM 29 CB LEU A 2 -41.864 9.903 43.037 1.00 0.00 C ATOM 30 CG LEU A 2 -42.445 8.801 42.119 1.00 0.00 C ATOM 31 CD1 LEU A 2 -41.407 8.477 41.050 1.00 0.00 C ATOM 32 CD2 LEU A 2 -42.824 7.500 42.810 1.00 0.00 C ATOM 0 H LEU A 2 -44.180 10.719 42.747 1.00 0.00 H new ATOM 0 HA LEU A 2 -42.741 9.978 45.093 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -41.538 10.705 42.375 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -40.967 9.477 43.488 1.00 0.00 H new ATOM 0 HG LEU A 2 -43.373 9.210 41.720 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -41.795 7.701 40.390 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -41.191 9.374 40.469 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -40.492 8.124 41.526 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -43.220 6.799 42.075 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -41.942 7.069 43.284 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -43.582 7.698 43.567 1.00 0.00 H new ATOM 44 N PRO A 3 -41.336 12.879 44.004 1.00 0.00 N ATOM 45 CA PRO A 3 -40.006 12.714 43.297 1.00 0.00 C ATOM 46 C PRO A 3 -38.557 13.169 43.729 1.00 0.00 C ATOM 47 O PRO A 3 -37.660 12.724 42.997 1.00 0.00 O ATOM 48 CB PRO A 3 -40.300 13.228 41.883 1.00 0.00 C ATOM 49 CG PRO A 3 -41.401 14.240 42.034 1.00 0.00 C ATOM 50 CD PRO A 3 -42.265 13.564 43.074 1.00 0.00 C ATOM 0 HA PRO A 3 -39.791 11.677 43.555 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -39.413 13.679 41.439 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -40.606 12.413 41.227 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -41.030 15.208 42.371 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -41.936 14.411 41.100 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -42.878 14.293 43.604 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -42.947 12.851 42.610 1.00 0.00 H new ATOM 58 N PRO A 4 -38.201 13.992 44.757 1.00 0.00 N ATOM 59 CA PRO A 4 -36.798 14.482 44.963 1.00 0.00 C ATOM 60 C PRO A 4 -35.657 13.414 45.143 1.00 0.00 C ATOM 61 O PRO A 4 -35.306 12.977 46.244 1.00 0.00 O ATOM 62 CB PRO A 4 -36.949 15.413 46.175 1.00 0.00 C ATOM 63 CG PRO A 4 -38.240 14.966 46.873 1.00 0.00 C ATOM 64 CD PRO A 4 -39.160 14.527 45.731 1.00 0.00 C ATOM 0 HA PRO A 4 -36.432 14.956 44.053 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -36.092 15.330 46.843 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -37.011 16.456 45.864 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -38.053 14.148 47.569 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -38.682 15.779 47.449 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -39.879 13.773 46.053 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -39.733 15.361 45.325 1.00 0.00 H new ATOM 72 N GLY A 5 -35.076 13.029 44.005 1.00 0.00 N ATOM 73 CA GLY A 5 -34.193 11.843 43.905 1.00 0.00 C ATOM 74 C GLY A 5 -34.857 10.516 43.467 1.00 0.00 C ATOM 75 O GLY A 5 -34.612 9.511 44.135 1.00 0.00 O ATOM 0 H GLY A 5 -35.198 13.524 43.122 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -33.394 12.072 43.200 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -33.725 11.685 44.877 1.00 0.00 H new ATOM 79 N TRP A 6 -35.685 10.448 42.404 1.00 0.00 N ATOM 80 CA TRP A 6 -36.415 9.227 42.030 1.00 0.00 C ATOM 81 C TRP A 6 -35.759 8.434 40.886 1.00 0.00 C ATOM 82 O TRP A 6 -34.996 8.976 40.079 1.00 0.00 O ATOM 83 CB TRP A 6 -37.877 9.653 41.751 1.00 0.00 C ATOM 84 CG TRP A 6 -38.188 10.317 40.392 1.00 0.00 C ATOM 85 CD1 TRP A 6 -38.049 11.671 40.031 1.00 0.00 C ATOM 86 CD2 TRP A 6 -38.709 9.703 39.276 1.00 0.00 C ATOM 87 NE1 TRP A 6 -38.620 11.945 38.774 1.00 0.00 N ATOM 88 CE2 TRP A 6 -39.006 10.703 38.319 1.00 0.00 C ATOM 89 CE3 TRP A 6 -38.987 8.341 39.011 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -39.640 10.358 37.109 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -39.535 8.018 37.769 1.00 0.00 C ATOM 92 CH2 TRP A 6 -39.880 9.008 36.839 1.00 0.00 C ATOM 0 H TRP A 6 -35.864 11.238 41.784 1.00 0.00 H new ATOM 0 HA TRP A 6 -36.388 8.507 42.848 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -38.507 8.768 41.843 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -38.180 10.343 42.538 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -37.561 12.412 40.647 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -38.723 12.848 38.310 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -38.782 7.577 39.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -39.935 11.122 36.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -39.697 6.980 37.518 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -40.337 8.724 35.902 1.00 0.00 H new ATOM 103 N GLU A 7 -36.167 7.160 40.754 1.00 0.00 N ATOM 104 CA GLU A 7 -36.018 6.449 39.478 1.00 0.00 C ATOM 105 C GLU A 7 -37.093 5.287 39.387 1.00 0.00 C ATOM 106 O GLU A 7 -37.446 4.616 40.363 1.00 0.00 O ATOM 107 CB GLU A 7 -34.534 5.987 39.335 1.00 0.00 C ATOM 108 CG GLU A 7 -34.009 5.746 37.900 1.00 0.00 C ATOM 109 CD GLU A 7 -34.374 4.431 37.267 1.00 0.00 C ATOM 110 OE1 GLU A 7 -34.037 3.376 37.845 1.00 0.00 O ATOM 111 OE2 GLU A 7 -34.990 4.446 36.182 1.00 0.00 O ATOM 0 H GLU A 7 -36.594 6.612 41.501 1.00 0.00 H new ATOM 0 HA GLU A 7 -36.221 7.095 38.624 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -33.899 6.737 39.807 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -34.411 5.063 39.900 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -34.380 6.547 37.261 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -32.922 5.828 37.915 1.00 0.00 H new ATOM 118 N LYS A 8 -37.641 5.083 38.191 1.00 0.00 N ATOM 119 CA LYS A 8 -38.433 3.873 37.771 1.00 0.00 C ATOM 120 C LYS A 8 -37.677 2.493 37.894 1.00 0.00 C ATOM 121 O LYS A 8 -36.729 2.233 37.152 1.00 0.00 O ATOM 122 CB LYS A 8 -38.833 4.284 36.313 1.00 0.00 C ATOM 123 CG LYS A 8 -39.582 3.295 35.392 1.00 0.00 C ATOM 124 CD LYS A 8 -38.725 2.260 34.617 1.00 0.00 C ATOM 125 CE LYS A 8 -37.572 2.812 33.735 1.00 0.00 C ATOM 126 NZ LYS A 8 -36.292 2.826 34.516 1.00 0.00 N ATOM 0 H LYS A 8 -37.556 5.769 37.440 1.00 0.00 H new ATOM 0 HA LYS A 8 -39.281 3.656 38.420 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -39.449 5.180 36.390 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -37.916 4.571 35.798 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -40.304 2.749 35.999 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -40.151 3.875 34.665 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -38.295 1.568 35.341 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -39.391 1.680 33.978 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -37.457 2.195 32.844 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -37.812 3.820 33.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -36.048 3.806 34.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -36.409 2.267 35.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -35.530 2.415 33.940 1.00 0.00 H new ATOM 140 N ARG A 9 -38.060 1.577 38.805 1.00 0.00 N ATOM 141 CA ARG A 9 -37.222 0.400 39.160 1.00 0.00 C ATOM 142 C ARG A 9 -38.065 -0.885 39.016 1.00 0.00 C ATOM 143 O ARG A 9 -39.225 -0.959 39.410 1.00 0.00 O ATOM 144 CB ARG A 9 -36.635 0.542 40.584 1.00 0.00 C ATOM 145 CG ARG A 9 -35.623 1.693 40.680 1.00 0.00 C ATOM 146 CD ARG A 9 -34.624 1.590 41.839 1.00 0.00 C ATOM 147 NE ARG A 9 -33.738 2.776 41.690 1.00 0.00 N ATOM 148 CZ ARG A 9 -32.531 2.678 41.175 1.00 0.00 C ATOM 149 NH1 ARG A 9 -31.600 2.027 41.798 1.00 0.00 N ATOM 150 NH2 ARG A 9 -32.260 3.257 40.046 1.00 0.00 N ATOM 0 H ARG A 9 -38.944 1.624 39.312 1.00 0.00 H new ATOM 0 HA ARG A 9 -36.375 0.341 38.477 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -37.444 0.712 41.294 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -36.150 -0.391 40.870 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -35.066 1.744 39.745 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -36.171 2.630 40.776 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -35.135 1.597 42.802 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -34.054 0.662 41.787 1.00 0.00 H new ATOM 0 HE ARG A 9 -34.075 3.689 41.995 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -31.800 1.585 42.695 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -30.667 1.956 41.391 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -32.982 3.787 39.559 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -31.325 3.182 39.646 1.00 0.00 H new ATOM 164 N MET A 10 -37.471 -1.901 38.409 1.00 0.00 N ATOM 165 CA MET A 10 -38.194 -3.165 38.092 1.00 0.00 C ATOM 166 C MET A 10 -38.321 -4.150 39.290 1.00 0.00 C ATOM 167 O MET A 10 -37.351 -4.483 39.979 1.00 0.00 O ATOM 168 CB MET A 10 -37.632 -3.837 36.821 1.00 0.00 C ATOM 169 CG MET A 10 -38.024 -3.085 35.532 1.00 0.00 C ATOM 170 SD MET A 10 -38.260 -4.240 34.169 1.00 0.00 S ATOM 171 CE MET A 10 -39.969 -4.691 34.527 1.00 0.00 C ATOM 0 H MET A 10 -36.493 -1.894 38.119 1.00 0.00 H new ATOM 0 HA MET A 10 -39.222 -2.870 37.879 1.00 0.00 H new ATOM 0 HB2 MET A 10 -36.546 -3.889 36.891 1.00 0.00 H new ATOM 0 HB3 MET A 10 -37.997 -4.863 36.765 1.00 0.00 H new ATOM 0 HG2 MET A 10 -38.941 -2.520 35.699 1.00 0.00 H new ATOM 0 HG3 MET A 10 -37.248 -2.365 35.275 1.00 0.00 H new ATOM 0 HE1 MET A 10 -40.278 -5.501 33.866 1.00 0.00 H new ATOM 0 HE2 MET A 10 -40.050 -5.018 35.564 1.00 0.00 H new ATOM 0 HE3 MET A 10 -40.614 -3.827 34.368 1.00 0.00 H new ATOM 181 N SER A 11 -39.555 -4.626 39.516 1.00 0.00 N ATOM 182 CA SER A 11 -39.855 -5.578 40.626 1.00 0.00 C ATOM 183 C SER A 11 -39.234 -7.006 40.442 1.00 0.00 C ATOM 184 O SER A 11 -39.740 -7.820 39.663 1.00 0.00 O ATOM 185 CB SER A 11 -41.384 -5.646 40.898 1.00 0.00 C ATOM 186 OG SER A 11 -42.040 -6.588 40.049 1.00 0.00 O ATOM 0 H SER A 11 -40.368 -4.375 38.953 1.00 0.00 H new ATOM 0 HA SER A 11 -39.358 -5.171 41.507 1.00 0.00 H new ATOM 0 HB2 SER A 11 -41.555 -5.918 41.940 1.00 0.00 H new ATOM 0 HB3 SER A 11 -41.822 -4.659 40.750 1.00 0.00 H new ATOM 0 HG SER A 11 -41.393 -7.256 39.741 1.00 0.00 H new ATOM 192 N ARG A 12 -38.194 -7.334 41.226 1.00 0.00 N ATOM 193 CA ARG A 12 -37.626 -8.711 41.283 1.00 0.00 C ATOM 194 C ARG A 12 -38.551 -9.904 41.742 1.00 0.00 C ATOM 195 O ARG A 12 -38.234 -11.062 41.466 1.00 0.00 O ATOM 196 CB ARG A 12 -36.349 -8.578 42.167 1.00 0.00 C ATOM 197 CG ARG A 12 -35.344 -9.710 41.900 1.00 0.00 C ATOM 198 CD ARG A 12 -34.007 -9.554 42.642 1.00 0.00 C ATOM 199 NE ARG A 12 -33.141 -10.713 42.282 1.00 0.00 N ATOM 200 CZ ARG A 12 -31.924 -10.947 42.757 1.00 0.00 C ATOM 201 NH1 ARG A 12 -31.314 -10.164 43.601 1.00 0.00 N ATOM 202 NH2 ARG A 12 -31.308 -12.014 42.358 1.00 0.00 N ATOM 0 H ARG A 12 -37.720 -6.668 41.836 1.00 0.00 H new ATOM 0 HA ARG A 12 -37.441 -9.028 40.257 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -35.873 -7.617 41.974 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -36.634 -8.587 43.219 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -35.798 -10.659 42.187 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -35.148 -9.762 40.829 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -33.524 -8.617 42.364 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -34.171 -9.521 43.719 1.00 0.00 H new ATOM 0 HE ARG A 12 -33.517 -11.385 41.612 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -31.773 -9.316 43.933 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -30.377 -10.399 43.930 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -31.759 -12.646 41.697 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -30.372 -12.222 42.705 1.00 0.00 H new ATOM 216 N SER A 13 -39.662 -9.623 42.436 1.00 0.00 N ATOM 217 CA SER A 13 -40.691 -10.635 42.804 1.00 0.00 C ATOM 218 C SER A 13 -41.485 -11.268 41.608 1.00 0.00 C ATOM 219 O SER A 13 -41.309 -12.459 41.347 1.00 0.00 O ATOM 220 CB SER A 13 -41.586 -9.986 43.894 1.00 0.00 C ATOM 221 OG SER A 13 -42.649 -10.856 44.293 1.00 0.00 O ATOM 0 H SER A 13 -39.884 -8.684 42.765 1.00 0.00 H new ATOM 0 HA SER A 13 -40.191 -11.521 43.196 1.00 0.00 H new ATOM 0 HB2 SER A 13 -40.977 -9.734 44.762 1.00 0.00 H new ATOM 0 HB3 SER A 13 -42.002 -9.053 43.515 1.00 0.00 H new ATOM 0 HG SER A 13 -43.191 -10.416 44.981 1.00 0.00 H new ATOM 227 N SER A 14 -42.407 -10.540 40.935 1.00 0.00 N ATOM 228 CA SER A 14 -43.383 -11.181 40.002 1.00 0.00 C ATOM 229 C SER A 14 -43.945 -10.279 38.854 1.00 0.00 C ATOM 230 O SER A 14 -45.155 -10.047 38.753 1.00 0.00 O ATOM 231 CB SER A 14 -44.497 -11.864 40.850 1.00 0.00 C ATOM 232 OG SER A 14 -45.160 -10.953 41.734 1.00 0.00 O ATOM 0 H SER A 14 -42.501 -9.527 41.013 1.00 0.00 H new ATOM 0 HA SER A 14 -42.829 -11.926 39.431 1.00 0.00 H new ATOM 0 HB2 SER A 14 -45.231 -12.314 40.182 1.00 0.00 H new ATOM 0 HB3 SER A 14 -44.058 -12.674 41.433 1.00 0.00 H new ATOM 0 HG SER A 14 -45.849 -11.432 42.240 1.00 0.00 H new ATOM 238 N GLY A 15 -43.083 -9.838 37.921 1.00 0.00 N ATOM 239 CA GLY A 15 -43.531 -9.274 36.620 1.00 0.00 C ATOM 240 C GLY A 15 -44.153 -7.868 36.643 1.00 0.00 C ATOM 241 O GLY A 15 -45.149 -7.633 35.958 1.00 0.00 O ATOM 0 H GLY A 15 -42.070 -9.858 38.037 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -42.674 -9.254 35.947 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -44.260 -9.959 36.187 1.00 0.00 H new ATOM 245 N ARG A 16 -43.587 -6.945 37.436 1.00 0.00 N ATOM 246 CA ARG A 16 -44.024 -5.534 37.465 1.00 0.00 C ATOM 247 C ARG A 16 -42.799 -4.574 37.339 1.00 0.00 C ATOM 248 O ARG A 16 -41.643 -4.911 37.602 1.00 0.00 O ATOM 249 CB ARG A 16 -44.854 -5.207 38.751 1.00 0.00 C ATOM 250 CG ARG A 16 -46.324 -5.679 38.858 1.00 0.00 C ATOM 251 CD ARG A 16 -46.479 -7.162 39.231 1.00 0.00 C ATOM 252 NE ARG A 16 -47.817 -7.393 39.840 1.00 0.00 N ATOM 253 CZ ARG A 16 -48.278 -8.567 40.257 1.00 0.00 C ATOM 254 NH1 ARG A 16 -47.625 -9.688 40.148 1.00 0.00 N ATOM 255 NH2 ARG A 16 -49.449 -8.601 40.807 1.00 0.00 N ATOM 0 H ARG A 16 -42.817 -7.151 38.073 1.00 0.00 H new ATOM 0 HA ARG A 16 -44.678 -5.378 36.607 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -44.315 -5.626 39.601 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -44.850 -4.124 38.874 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -46.836 -5.072 39.604 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -46.822 -5.501 37.905 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -46.361 -7.784 38.343 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -45.696 -7.454 39.931 1.00 0.00 H new ATOM 0 HE ARG A 16 -48.430 -6.584 39.946 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -46.699 -9.699 39.720 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -48.039 -10.555 40.490 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -49.989 -7.742 40.910 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -49.832 -9.487 41.138 1.00 0.00 H new ATOM 269 N VAL A 17 -43.095 -3.323 36.999 1.00 0.00 N ATOM 270 CA VAL A 17 -42.241 -2.153 37.340 1.00 0.00 C ATOM 271 C VAL A 17 -42.864 -1.387 38.549 1.00 0.00 C ATOM 272 O VAL A 17 -44.070 -1.133 38.602 1.00 0.00 O ATOM 273 CB VAL A 17 -41.940 -1.256 36.094 1.00 0.00 C ATOM 274 CG1 VAL A 17 -43.178 -0.904 35.260 1.00 0.00 C ATOM 275 CG2 VAL A 17 -41.226 0.073 36.435 1.00 0.00 C ATOM 0 H VAL A 17 -43.935 -3.074 36.476 1.00 0.00 H new ATOM 0 HA VAL A 17 -41.258 -2.503 37.656 1.00 0.00 H new ATOM 0 HB VAL A 17 -41.276 -1.893 35.510 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -42.883 -0.281 34.416 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -43.640 -1.819 34.891 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -43.892 -0.361 35.880 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -41.052 0.638 35.519 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -41.850 0.659 37.110 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -40.272 -0.140 36.916 1.00 0.00 H new ATOM 285 N TYR A 18 -41.995 -0.978 39.476 1.00 0.00 N ATOM 286 CA TYR A 18 -42.346 -0.055 40.578 1.00 0.00 C ATOM 287 C TYR A 18 -41.609 1.317 40.341 1.00 0.00 C ATOM 288 O TYR A 18 -40.831 1.506 39.396 1.00 0.00 O ATOM 289 CB TYR A 18 -42.104 -0.826 41.916 1.00 0.00 C ATOM 290 CG TYR A 18 -40.669 -1.019 42.406 1.00 0.00 C ATOM 291 CD1 TYR A 18 -40.029 -0.026 43.148 1.00 0.00 C ATOM 292 CD2 TYR A 18 -39.989 -2.196 42.103 1.00 0.00 C ATOM 293 CE1 TYR A 18 -38.711 -0.201 43.552 1.00 0.00 C ATOM 294 CE2 TYR A 18 -38.666 -2.371 42.497 1.00 0.00 C ATOM 295 CZ TYR A 18 -38.026 -1.371 43.226 1.00 0.00 C ATOM 296 OH TYR A 18 -36.712 -1.515 43.578 1.00 0.00 O ATOM 0 H TYR A 18 -41.019 -1.275 39.491 1.00 0.00 H new ATOM 0 HA TYR A 18 -43.393 0.245 40.626 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -42.653 -0.306 42.701 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -42.553 -1.814 41.814 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -40.558 0.879 43.408 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -40.493 -2.980 41.557 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -38.215 0.572 44.121 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -38.138 -3.277 42.239 1.00 0.00 H new ATOM 0 HH TYR A 18 -36.386 -2.389 43.276 1.00 0.00 H new ATOM 306 N TYR A 19 -41.900 2.323 41.164 1.00 0.00 N ATOM 307 CA TYR A 19 -41.253 3.664 41.073 1.00 0.00 C ATOM 308 C TYR A 19 -40.780 4.105 42.487 1.00 0.00 C ATOM 309 O TYR A 19 -41.432 3.820 43.499 1.00 0.00 O ATOM 310 CB TYR A 19 -42.251 4.689 40.487 1.00 0.00 C ATOM 311 CG TYR A 19 -42.561 4.643 38.973 1.00 0.00 C ATOM 312 CD1 TYR A 19 -43.322 3.615 38.406 1.00 0.00 C ATOM 313 CD2 TYR A 19 -42.123 5.684 38.152 1.00 0.00 C ATOM 314 CE1 TYR A 19 -43.613 3.613 37.043 1.00 0.00 C ATOM 315 CE2 TYR A 19 -42.410 5.687 36.789 1.00 0.00 C ATOM 316 CZ TYR A 19 -43.153 4.649 36.237 1.00 0.00 C ATOM 317 OH TYR A 19 -43.448 4.660 34.902 1.00 0.00 O ATOM 0 H TYR A 19 -42.586 2.249 41.915 1.00 0.00 H new ATOM 0 HA TYR A 19 -40.387 3.611 40.413 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -43.194 4.574 41.021 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -41.874 5.686 40.717 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -43.688 2.814 39.031 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -41.555 6.497 38.579 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -44.194 2.810 36.614 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -42.057 6.493 36.163 1.00 0.00 H new ATOM 0 HH TYR A 19 -43.051 5.454 34.486 1.00 0.00 H new ATOM 327 N PHE A 20 -39.630 4.794 42.569 1.00 0.00 N ATOM 328 CA PHE A 20 -38.921 4.964 43.867 1.00 0.00 C ATOM 329 C PHE A 20 -38.091 6.271 44.062 1.00 0.00 C ATOM 330 O PHE A 20 -37.019 6.412 43.478 1.00 0.00 O ATOM 331 CB PHE A 20 -38.096 3.660 44.130 1.00 0.00 C ATOM 332 CG PHE A 20 -37.243 3.611 45.414 1.00 0.00 C ATOM 333 CD1 PHE A 20 -37.841 3.702 46.659 1.00 0.00 C ATOM 334 CD2 PHE A 20 -35.863 3.550 45.331 1.00 0.00 C ATOM 335 CE1 PHE A 20 -37.074 3.702 47.818 1.00 0.00 C ATOM 336 CE2 PHE A 20 -35.082 3.569 46.482 1.00 0.00 C ATOM 337 CZ PHE A 20 -35.654 3.599 47.786 1.00 0.00 C ATOM 0 H PHE A 20 -39.171 5.238 41.774 1.00 0.00 H new ATOM 0 HA PHE A 20 -39.687 5.108 44.628 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -38.791 2.820 44.154 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -37.434 3.502 43.279 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -38.916 3.774 46.731 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -35.388 3.487 44.363 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -37.571 3.783 48.774 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -34.007 3.561 46.384 1.00 0.00 H new ATOM 0 HZ PHE A 20 -35.056 3.547 48.684 1.00 0.00 H new ATOM 347 N ASN A 21 -38.518 7.140 44.999 1.00 0.00 N ATOM 348 CA ASN A 21 -37.660 8.203 45.590 1.00 0.00 C ATOM 349 C ASN A 21 -36.586 7.653 46.595 1.00 0.00 C ATOM 350 O ASN A 21 -36.945 7.167 47.664 1.00 0.00 O ATOM 351 CB ASN A 21 -38.621 9.205 46.289 1.00 0.00 C ATOM 352 CG ASN A 21 -38.100 10.570 46.726 1.00 0.00 C ATOM 353 OD1 ASN A 21 -36.892 10.708 47.182 1.00 0.00 O flip ATOM 354 ND2 ASN A 21 -38.830 11.542 46.774 1.00 0.00 N flip ATOM 0 H ASN A 21 -39.467 7.130 45.372 1.00 0.00 H new ATOM 0 HA ASN A 21 -37.079 8.681 44.802 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -39.460 9.377 45.614 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -39.020 8.710 47.174 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -39.787 11.479 46.427 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -38.485 12.420 47.161 1.00 0.00 H new ATOM 361 N HIS A 22 -35.287 7.847 46.326 1.00 0.00 N ATOM 362 CA HIS A 22 -34.181 7.330 47.201 1.00 0.00 C ATOM 363 C HIS A 22 -33.983 8.063 48.580 1.00 0.00 C ATOM 364 O HIS A 22 -33.653 7.432 49.583 1.00 0.00 O ATOM 365 CB HIS A 22 -32.822 7.326 46.428 1.00 0.00 C ATOM 366 CG HIS A 22 -32.744 6.807 44.988 1.00 0.00 C ATOM 367 ND1 HIS A 22 -33.680 5.983 44.406 1.00 0.00 N ATOM 368 CD2 HIS A 22 -31.958 7.405 43.990 1.00 0.00 C ATOM 369 CE1 HIS A 22 -33.465 6.277 43.096 1.00 0.00 C ATOM 370 NE2 HIS A 22 -32.404 7.055 42.727 1.00 0.00 N ATOM 0 H HIS A 22 -34.957 8.359 45.508 1.00 0.00 H new ATOM 0 HA HIS A 22 -34.505 6.320 47.452 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -32.454 8.352 46.420 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -32.118 6.740 47.019 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -34.344 5.338 44.834 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -31.116 8.053 44.182 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -34.137 5.893 42.343 1.00 0.00 H new ATOM 378 N ILE A 23 -34.122 9.401 48.607 1.00 0.00 N ATOM 379 CA ILE A 23 -33.839 10.257 49.807 1.00 0.00 C ATOM 380 C ILE A 23 -35.002 10.218 50.866 1.00 0.00 C ATOM 381 O ILE A 23 -34.757 9.988 52.051 1.00 0.00 O ATOM 382 CB ILE A 23 -33.455 11.719 49.350 1.00 0.00 C ATOM 383 CG1 ILE A 23 -32.413 11.854 48.193 1.00 0.00 C ATOM 384 CG2 ILE A 23 -33.004 12.619 50.532 1.00 0.00 C ATOM 385 CD1 ILE A 23 -31.046 11.177 48.411 1.00 0.00 C ATOM 0 H ILE A 23 -34.436 9.937 47.798 1.00 0.00 H new ATOM 0 HA ILE A 23 -32.978 9.841 50.330 1.00 0.00 H new ATOM 0 HB ILE A 23 -34.403 12.064 48.938 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -32.856 11.442 47.286 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -32.242 12.915 48.011 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -32.753 13.612 50.158 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -33.813 12.699 51.258 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -32.129 12.179 51.011 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -30.414 11.343 47.538 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -30.566 11.602 49.293 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -31.189 10.106 48.557 1.00 0.00 H new ATOM 397 N THR A 24 -36.261 10.437 50.444 1.00 0.00 N ATOM 398 CA THR A 24 -37.480 10.159 51.284 1.00 0.00 C ATOM 399 C THR A 24 -37.703 8.662 51.648 1.00 0.00 C ATOM 400 O THR A 24 -37.997 8.290 52.784 1.00 0.00 O ATOM 401 CB THR A 24 -38.788 10.674 50.583 1.00 0.00 C ATOM 402 OG1 THR A 24 -39.218 9.886 49.478 1.00 0.00 O ATOM 403 CG2 THR A 24 -38.683 12.050 49.985 1.00 0.00 C ATOM 0 H THR A 24 -36.480 10.809 49.520 1.00 0.00 H new ATOM 0 HA THR A 24 -37.280 10.699 52.209 1.00 0.00 H new ATOM 0 HB THR A 24 -39.481 10.635 51.423 1.00 0.00 H new ATOM 0 HG1 THR A 24 -39.937 10.353 49.003 1.00 0.00 H new ATOM 0 HG21 THR A 24 -39.633 12.320 49.524 1.00 0.00 H new ATOM 0 HG22 THR A 24 -38.442 12.769 50.768 1.00 0.00 H new ATOM 0 HG23 THR A 24 -37.897 12.059 49.229 1.00 0.00 H new ATOM 411 N ASN A 25 -37.584 7.853 50.595 1.00 0.00 N ATOM 412 CA ASN A 25 -37.959 6.435 50.534 1.00 0.00 C ATOM 413 C ASN A 25 -39.482 6.140 50.274 1.00 0.00 C ATOM 414 O ASN A 25 -40.068 5.215 50.843 1.00 0.00 O ATOM 415 CB ASN A 25 -37.241 5.586 51.589 1.00 0.00 C ATOM 416 CG ASN A 25 -35.711 5.595 51.637 1.00 0.00 C ATOM 417 OD1 ASN A 25 -35.036 4.817 50.976 1.00 0.00 O ATOM 418 ND2 ASN A 25 -35.115 6.461 52.410 1.00 0.00 N ATOM 0 H ASN A 25 -37.202 8.186 49.710 1.00 0.00 H new ATOM 0 HA ASN A 25 -37.552 6.061 49.594 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -37.602 5.903 52.567 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -37.559 4.553 51.451 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -34.096 6.485 52.459 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -35.668 7.114 52.965 1.00 0.00 H new ATOM 425 N ALA A 26 -40.091 6.858 49.311 1.00 0.00 N ATOM 426 CA ALA A 26 -41.455 6.564 48.809 1.00 0.00 C ATOM 427 C ALA A 26 -41.443 5.486 47.673 1.00 0.00 C ATOM 428 O ALA A 26 -41.395 5.802 46.476 1.00 0.00 O ATOM 429 CB ALA A 26 -42.051 7.920 48.381 1.00 0.00 C ATOM 0 H ALA A 26 -39.654 7.660 48.856 1.00 0.00 H new ATOM 0 HA ALA A 26 -42.081 6.113 49.579 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -43.061 7.769 48.000 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -42.083 8.590 49.240 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -41.430 8.360 47.600 1.00 0.00 H new ATOM 435 N SER A 27 -41.491 4.202 48.068 1.00 0.00 N ATOM 436 CA SER A 27 -41.661 3.067 47.122 1.00 0.00 C ATOM 437 C SER A 27 -43.150 2.802 46.768 1.00 0.00 C ATOM 438 O SER A 27 -44.000 2.552 47.628 1.00 0.00 O ATOM 439 CB SER A 27 -41.015 1.786 47.681 1.00 0.00 C ATOM 440 OG SER A 27 -41.552 1.411 48.953 1.00 0.00 O ATOM 0 H SER A 27 -41.414 3.915 49.044 1.00 0.00 H new ATOM 0 HA SER A 27 -41.154 3.353 46.201 1.00 0.00 H new ATOM 0 HB2 SER A 27 -41.162 0.970 46.973 1.00 0.00 H new ATOM 0 HB3 SER A 27 -39.939 1.936 47.774 1.00 0.00 H new ATOM 0 HG SER A 27 -42.505 1.638 48.985 1.00 0.00 H new ATOM 446 N GLN A 28 -43.431 2.869 45.472 1.00 0.00 N ATOM 447 CA GLN A 28 -44.822 2.831 44.928 1.00 0.00 C ATOM 448 C GLN A 28 -44.804 2.271 43.466 1.00 0.00 C ATOM 449 O GLN A 28 -43.917 1.518 43.072 1.00 0.00 O ATOM 450 CB GLN A 28 -45.536 4.219 45.146 1.00 0.00 C ATOM 451 CG GLN A 28 -44.760 5.447 44.641 1.00 0.00 C ATOM 452 CD GLN A 28 -45.599 6.713 44.686 1.00 0.00 C ATOM 453 OE1 GLN A 28 -45.914 7.321 45.703 1.00 0.00 O ATOM 454 NE2 GLN A 28 -46.053 7.117 43.546 1.00 0.00 N ATOM 0 H GLN A 28 -42.714 2.952 44.751 1.00 0.00 H new ATOM 0 HA GLN A 28 -45.448 2.130 45.480 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -46.505 4.192 44.647 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -45.729 4.345 46.211 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -43.865 5.584 45.248 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -44.427 5.269 43.618 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -45.800 6.621 42.691 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -46.665 7.932 43.501 1.00 0.00 H new ATOM 463 N TRP A 29 -45.809 2.600 42.659 1.00 0.00 N ATOM 464 CA TRP A 29 -45.967 2.109 41.260 1.00 0.00 C ATOM 465 C TRP A 29 -46.315 3.258 40.236 1.00 0.00 C ATOM 466 O TRP A 29 -46.881 2.984 39.175 1.00 0.00 O ATOM 467 CB TRP A 29 -47.054 0.979 41.261 1.00 0.00 C ATOM 468 CG TRP A 29 -47.084 -0.124 42.310 1.00 0.00 C ATOM 469 CD1 TRP A 29 -47.703 0.012 43.552 1.00 0.00 C ATOM 470 CD2 TRP A 29 -46.444 -1.348 42.333 1.00 0.00 C ATOM 471 NE1 TRP A 29 -47.380 -1.047 44.399 1.00 0.00 N ATOM 472 CE2 TRP A 29 -46.621 -1.894 43.618 1.00 0.00 C ATOM 473 CE3 TRP A 29 -45.635 -2.006 41.379 1.00 0.00 C ATOM 474 CZ2 TRP A 29 -45.940 -3.078 43.990 1.00 0.00 C ATOM 475 CZ3 TRP A 29 -44.982 -3.181 41.756 1.00 0.00 C ATOM 476 CH2 TRP A 29 -45.129 -3.710 43.044 1.00 0.00 C ATOM 0 H TRP A 29 -46.560 3.227 42.949 1.00 0.00 H new ATOM 0 HA TRP A 29 -45.012 1.711 40.917 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -48.022 1.477 41.304 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -46.992 0.486 40.291 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -48.350 0.833 43.823 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -47.645 -1.168 45.376 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -45.524 -1.609 40.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -46.045 -3.485 44.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -44.352 -3.691 41.042 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -44.609 -4.618 43.310 1.00 0.00 H new ATOM 487 N GLU A 30 -45.992 4.540 40.537 1.00 0.00 N ATOM 488 CA GLU A 30 -46.661 5.716 39.925 1.00 0.00 C ATOM 489 C GLU A 30 -45.674 6.848 39.486 1.00 0.00 C ATOM 490 O GLU A 30 -44.989 7.474 40.297 1.00 0.00 O ATOM 491 CB GLU A 30 -47.875 6.087 40.842 1.00 0.00 C ATOM 492 CG GLU A 30 -48.594 7.457 40.667 1.00 0.00 C ATOM 493 CD GLU A 30 -48.282 8.549 41.680 1.00 0.00 C ATOM 494 OE1 GLU A 30 -48.613 8.412 42.875 1.00 0.00 O ATOM 495 OE2 GLU A 30 -47.770 9.609 41.275 1.00 0.00 O ATOM 0 H GLU A 30 -45.264 4.788 41.207 1.00 0.00 H new ATOM 0 HA GLU A 30 -47.079 5.486 38.945 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -48.627 5.308 40.715 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -47.530 6.032 41.874 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -48.352 7.839 39.675 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -49.669 7.278 40.686 1.00 0.00 H new ATOM 502 N ARG A 31 -45.665 7.145 38.166 1.00 0.00 N ATOM 503 CA ARG A 31 -45.027 8.359 37.584 1.00 0.00 C ATOM 504 C ARG A 31 -45.580 9.681 38.216 1.00 0.00 C ATOM 505 O ARG A 31 -46.805 9.875 38.190 1.00 0.00 O ATOM 506 CB ARG A 31 -45.216 8.296 36.039 1.00 0.00 C ATOM 507 CG ARG A 31 -44.338 9.286 35.226 1.00 0.00 C ATOM 508 CD ARG A 31 -44.613 9.301 33.700 1.00 0.00 C ATOM 509 NE ARG A 31 -45.296 10.548 33.246 1.00 0.00 N ATOM 510 CZ ARG A 31 -46.604 10.800 33.316 1.00 0.00 C ATOM 511 NH1 ARG A 31 -47.490 9.916 33.665 1.00 0.00 N ATOM 512 NH2 ARG A 31 -47.021 11.990 33.030 1.00 0.00 N ATOM 0 H ARG A 31 -46.103 6.547 37.465 1.00 0.00 H new ATOM 0 HA ARG A 31 -43.962 8.372 37.817 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -44.999 7.282 35.703 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -46.263 8.490 35.809 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -44.492 10.291 35.618 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -43.289 9.037 35.389 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -43.670 9.194 33.165 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -45.228 8.440 33.438 1.00 0.00 H new ATOM 0 HE ARG A 31 -44.706 11.277 32.844 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -47.198 8.968 33.904 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -48.477 10.170 33.700 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -46.354 12.712 32.758 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -48.017 12.206 33.076 1.00 0.00 H new ATOM 526 N PRO A 32 -44.764 10.621 38.780 1.00 0.00 N ATOM 527 CA PRO A 32 -45.318 11.760 39.567 1.00 0.00 C ATOM 528 C PRO A 32 -45.967 12.948 38.762 1.00 0.00 C ATOM 529 O PRO A 32 -46.149 14.042 39.294 1.00 0.00 O ATOM 530 CB PRO A 32 -44.052 12.167 40.331 1.00 0.00 C ATOM 531 CG PRO A 32 -42.887 11.917 39.377 1.00 0.00 C ATOM 532 CD PRO A 32 -43.288 10.625 38.676 1.00 0.00 C ATOM 0 HA PRO A 32 -46.185 11.477 40.164 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -44.095 13.215 40.628 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -43.942 11.581 41.244 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -42.761 12.737 38.670 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -41.943 11.810 39.912 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -42.959 10.613 37.637 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -42.849 9.753 39.160 1.00 0.00 H new ATOM 540 N SER A 33 -46.335 12.693 37.497 1.00 0.00 N ATOM 541 CA SER A 33 -46.778 13.705 36.498 1.00 0.00 C ATOM 542 C SER A 33 -45.623 14.408 35.714 1.00 0.00 C ATOM 543 O SER A 33 -45.425 14.118 34.528 1.00 0.00 O ATOM 544 CB SER A 33 -47.889 14.678 36.966 1.00 0.00 C ATOM 545 OG SER A 33 -48.629 15.104 35.827 1.00 0.00 O ATOM 0 H SER A 33 -46.336 11.746 37.118 1.00 0.00 H new ATOM 0 HA SER A 33 -47.279 13.080 35.759 1.00 0.00 H new ATOM 0 HB2 SER A 33 -48.547 14.185 37.682 1.00 0.00 H new ATOM 0 HB3 SER A 33 -47.450 15.536 37.475 1.00 0.00 H new ATOM 0 HG SER A 33 -48.901 16.038 35.944 1.00 0.00 H new ATOM 551 N GLY A 34 -44.898 15.347 36.350 1.00 0.00 N ATOM 552 CA GLY A 34 -44.085 16.365 35.641 1.00 0.00 C ATOM 553 C GLY A 34 -44.762 17.740 35.417 1.00 0.00 C ATOM 554 O GLY A 34 -44.249 18.760 35.876 1.00 0.00 O ATOM 0 H GLY A 34 -44.856 15.425 37.366 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -43.165 16.523 36.204 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -43.799 15.961 34.670 1.00 0.00 H new ATOM 558 N ASN A 35 -45.886 17.767 34.684 1.00 0.00 N ATOM 559 CA ASN A 35 -46.659 19.004 34.380 1.00 0.00 C ATOM 560 C ASN A 35 -48.217 18.881 34.568 1.00 0.00 C ATOM 561 O ASN A 35 -48.827 19.752 35.191 1.00 0.00 O ATOM 562 CB ASN A 35 -46.225 19.440 32.952 1.00 0.00 C ATOM 563 CG ASN A 35 -46.577 20.875 32.568 1.00 0.00 C ATOM 564 OD1 ASN A 35 -47.527 21.136 31.842 1.00 0.00 O ATOM 565 ND2 ASN A 35 -45.830 21.848 33.020 1.00 0.00 N ATOM 0 H ASN A 35 -46.297 16.927 34.277 1.00 0.00 H new ATOM 0 HA ASN A 35 -46.423 19.776 35.112 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -45.146 19.313 32.864 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -46.685 18.766 32.230 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -46.042 22.813 32.767 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -45.036 21.642 33.626 1.00 0.00 H new ATOM 572 N SER A 36 -48.852 17.836 34.011 1.00 0.00 N ATOM 573 CA SER A 36 -50.331 17.632 34.047 1.00 0.00 C ATOM 574 C SER A 36 -50.884 17.029 35.391 1.00 0.00 C ATOM 575 O SER A 36 -50.224 17.073 36.437 1.00 0.00 O ATOM 576 CB SER A 36 -50.571 16.825 32.743 1.00 0.00 C ATOM 577 OG SER A 36 -51.955 16.580 32.497 1.00 0.00 O ATOM 0 H SER A 36 -48.358 17.095 33.515 1.00 0.00 H new ATOM 0 HA SER A 36 -50.913 18.553 34.059 1.00 0.00 H new ATOM 0 HB2 SER A 36 -50.147 17.370 31.900 1.00 0.00 H new ATOM 0 HB3 SER A 36 -50.043 15.874 32.806 1.00 0.00 H new ATOM 0 HG SER A 36 -52.048 15.912 31.786 1.00 0.00 H new ATOM 583 N SER A 37 -52.093 16.453 35.383 1.00 0.00 N ATOM 584 CA SER A 37 -52.676 15.744 36.563 1.00 0.00 C ATOM 585 C SER A 37 -51.880 14.486 37.071 1.00 0.00 C ATOM 586 O SER A 37 -51.458 14.405 38.231 1.00 0.00 O ATOM 587 CB SER A 37 -54.167 15.466 36.229 1.00 0.00 C ATOM 588 OG SER A 37 -54.368 14.422 35.263 1.00 0.00 O ATOM 0 H SER A 37 -52.705 16.457 34.567 1.00 0.00 H new ATOM 0 HA SER A 37 -52.594 16.391 37.437 1.00 0.00 H new ATOM 0 HB2 SER A 37 -54.691 15.202 37.148 1.00 0.00 H new ATOM 0 HB3 SER A 37 -54.622 16.384 35.856 1.00 0.00 H new ATOM 0 HG SER A 37 -53.817 14.598 34.472 1.00 0.00 H new ATOM 594 N SER A 38 -51.651 13.522 36.173 1.00 0.00 N ATOM 595 CA SER A 38 -50.763 12.340 36.383 1.00 0.00 C ATOM 596 C SER A 38 -50.251 11.717 35.027 1.00 0.00 C ATOM 597 O SER A 38 -50.023 10.509 34.906 1.00 0.00 O ATOM 598 CB SER A 38 -51.497 11.310 37.284 1.00 0.00 C ATOM 599 OG SER A 38 -50.616 10.253 37.673 1.00 0.00 O ATOM 0 H SER A 38 -52.084 13.529 35.249 1.00 0.00 H new ATOM 0 HA SER A 38 -49.857 12.665 36.895 1.00 0.00 H new ATOM 0 HB2 SER A 38 -51.886 11.809 38.171 1.00 0.00 H new ATOM 0 HB3 SER A 38 -52.352 10.897 36.749 1.00 0.00 H new ATOM 0 HG SER A 38 -50.207 9.857 36.875 1.00 0.00 H new ATOM 605 N GLY A 39 -50.015 12.505 33.969 1.00 0.00 N ATOM 606 CA GLY A 39 -50.841 12.325 32.748 1.00 0.00 C ATOM 607 C GLY A 39 -51.718 13.566 32.563 1.00 0.00 C ATOM 608 O GLY A 39 -51.623 14.200 31.499 1.00 0.00 O ATOM 609 OXT GLY A 39 -52.458 13.966 33.490 1.00 0.00 O ATOM 0 H GLY A 39 -49.304 13.235 33.921 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -50.202 12.180 31.877 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -51.462 11.434 32.839 1.00 0.00 H new TER 613 GLY A 39