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+ 136:sc= 1.24 (180deg=0) USER MOD Set 1.2: A 28 GLN : amide:sc= 1.09 K(o=2.3,f=-7.6!) USER MOD Set 2.1: A 21 ASN : amide:sc= -0.409 X(o=-0.38,f=-0.093) USER MOD Set 2.2: A 24 THR OG1 : rot 126:sc= 0.0337 USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -136:sc= 1.25 (180deg=0.465) USER MOD Single : A 10 MET CE :methyl 179:sc= 0 (180deg=-0.00292) 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 1:sc= 1.17 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= 0.201 K(o=0.2,f=-0.87) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 28:sc= 0.0146 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 36 SER OG : rot -52:sc= 0.34 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -55:sc= 0.222 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -45.698 8.841 46.869 1.00 0.00 N ATOM 2 CA LYS A 1 -45.389 10.293 46.722 1.00 0.00 C ATOM 3 C LYS A 1 -43.832 10.494 46.735 1.00 0.00 C ATOM 4 O LYS A 1 -43.232 10.457 47.809 1.00 0.00 O ATOM 5 CB LYS A 1 -46.176 11.031 47.852 1.00 0.00 C ATOM 6 CG LYS A 1 -46.209 12.588 47.845 1.00 0.00 C ATOM 7 CD LYS A 1 -45.051 13.275 48.612 1.00 0.00 C ATOM 8 CE LYS A 1 -45.309 14.782 48.848 1.00 0.00 C ATOM 9 NZ LYS A 1 -44.164 15.382 49.600 1.00 0.00 N ATOM 0 H1 LYS A 1 -46.475 8.719 47.550 1.00 0.00 H new ATOM 0 H2 LYS A 1 -45.981 8.451 45.947 1.00 0.00 H new ATOM 0 H3 LYS A 1 -44.854 8.340 47.213 1.00 0.00 H new ATOM 0 HA LYS A 1 -45.710 10.720 45.772 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -47.207 10.678 47.822 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -45.758 10.713 48.807 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -46.193 12.931 46.811 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -47.155 12.918 48.275 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -44.911 12.779 49.572 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -44.124 13.152 48.051 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -45.436 15.292 47.893 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -46.234 14.918 49.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -44.343 16.395 49.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -44.063 14.903 50.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -43.289 15.266 49.050 1.00 0.00 H new ATOM 25 N LEU A 2 -43.176 10.606 45.563 1.00 0.00 N ATOM 26 CA LEU A 2 -41.730 10.230 45.411 1.00 0.00 C ATOM 27 C LEU A 2 -40.559 11.260 45.122 1.00 0.00 C ATOM 28 O LEU A 2 -39.498 11.039 45.698 1.00 0.00 O ATOM 29 CB LEU A 2 -41.675 9.056 44.405 1.00 0.00 C ATOM 30 CG LEU A 2 -42.047 9.214 42.900 1.00 0.00 C ATOM 31 CD1 LEU A 2 -40.783 9.314 42.017 1.00 0.00 C ATOM 32 CD2 LEU A 2 -42.897 8.048 42.417 1.00 0.00 C ATOM 0 H LEU A 2 -43.608 10.950 44.706 1.00 0.00 H new ATOM 0 HA LEU A 2 -41.462 10.030 46.448 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -40.656 8.671 44.434 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -42.322 8.275 44.804 1.00 0.00 H new ATOM 0 HG LEU A 2 -42.620 10.137 42.812 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -41.076 9.423 40.973 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -40.194 10.179 42.321 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -40.186 8.410 42.133 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -43.140 8.187 41.364 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -42.343 7.118 42.542 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -43.817 8.003 42.999 1.00 0.00 H new ATOM 44 N PRO A 3 -40.589 12.285 44.232 1.00 0.00 N ATOM 45 CA PRO A 3 -39.366 12.848 43.580 1.00 0.00 C ATOM 46 C PRO A 3 -37.980 13.282 44.217 1.00 0.00 C ATOM 47 O PRO A 3 -36.989 13.035 43.517 1.00 0.00 O ATOM 48 CB PRO A 3 -39.984 13.824 42.562 1.00 0.00 C ATOM 49 CG PRO A 3 -41.455 13.978 42.947 1.00 0.00 C ATOM 50 CD PRO A 3 -41.711 12.526 43.323 1.00 0.00 C ATOM 0 HA PRO A 3 -38.794 11.967 43.288 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -39.473 14.787 42.588 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -39.887 13.439 41.547 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -41.611 14.669 43.776 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -42.079 14.323 42.123 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -42.676 12.388 43.810 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -41.693 11.864 42.457 1.00 0.00 H new ATOM 58 N PRO A 4 -37.766 13.910 45.411 1.00 0.00 N ATOM 59 CA PRO A 4 -36.414 14.383 45.845 1.00 0.00 C ATOM 60 C PRO A 4 -35.310 13.285 46.030 1.00 0.00 C ATOM 61 O PRO A 4 -35.161 12.644 47.076 1.00 0.00 O ATOM 62 CB PRO A 4 -36.713 15.136 47.144 1.00 0.00 C ATOM 63 CG PRO A 4 -38.035 14.542 47.646 1.00 0.00 C ATOM 64 CD PRO A 4 -38.831 14.239 46.372 1.00 0.00 C ATOM 0 HA PRO A 4 -35.958 14.989 45.063 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -35.915 14.998 47.874 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -36.803 16.208 46.968 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -37.866 13.639 48.232 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -38.567 15.244 48.288 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -39.523 13.409 46.512 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -39.422 15.096 46.048 1.00 0.00 H new ATOM 72 N GLY A 5 -34.541 13.095 44.961 1.00 0.00 N ATOM 73 CA GLY A 5 -33.709 11.886 44.792 1.00 0.00 C ATOM 74 C GLY A 5 -34.444 10.638 44.260 1.00 0.00 C ATOM 75 O GLY A 5 -34.423 9.629 44.968 1.00 0.00 O ATOM 0 H GLY A 5 -34.470 13.760 44.191 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -32.892 12.122 44.110 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -33.260 11.638 45.754 1.00 0.00 H new ATOM 79 N TRP A 6 -35.097 10.660 43.079 1.00 0.00 N ATOM 80 CA TRP A 6 -35.853 9.502 42.571 1.00 0.00 C ATOM 81 C TRP A 6 -35.190 8.813 41.364 1.00 0.00 C ATOM 82 O TRP A 6 -34.398 9.401 40.620 1.00 0.00 O ATOM 83 CB TRP A 6 -37.308 9.949 42.301 1.00 0.00 C ATOM 84 CG TRP A 6 -37.671 10.676 40.975 1.00 0.00 C ATOM 85 CD1 TRP A 6 -37.577 12.053 40.665 1.00 0.00 C ATOM 86 CD2 TRP A 6 -38.266 10.115 39.862 1.00 0.00 C ATOM 87 NE1 TRP A 6 -38.241 12.382 39.470 1.00 0.00 N ATOM 88 CE2 TRP A 6 -38.625 11.161 38.972 1.00 0.00 C ATOM 89 CE3 TRP A 6 -38.493 8.763 39.509 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -39.241 10.869 37.741 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -38.965 8.499 38.221 1.00 0.00 C ATOM 92 CH2 TRP A 6 -39.374 9.531 37.365 1.00 0.00 C ATOM 0 H TRP A 6 -35.114 11.471 42.460 1.00 0.00 H new ATOM 0 HA TRP A 6 -35.856 8.723 43.333 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -37.936 9.060 42.364 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -37.601 10.606 43.120 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -37.053 12.772 41.278 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -38.400 13.306 39.069 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -38.308 7.963 40.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -39.602 11.661 37.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -39.016 7.477 37.877 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -39.798 9.288 36.402 1.00 0.00 H new ATOM 103 N GLU A 7 -35.642 7.579 41.103 1.00 0.00 N ATOM 104 CA GLU A 7 -35.474 6.977 39.775 1.00 0.00 C ATOM 105 C GLU A 7 -36.469 5.764 39.668 1.00 0.00 C ATOM 106 O GLU A 7 -36.663 5.005 40.629 1.00 0.00 O ATOM 107 CB GLU A 7 -34.007 6.514 39.512 1.00 0.00 C ATOM 108 CG GLU A 7 -33.566 6.549 38.020 1.00 0.00 C ATOM 109 CD GLU A 7 -32.595 5.467 37.599 1.00 0.00 C ATOM 110 OE1 GLU A 7 -31.611 5.205 38.319 1.00 0.00 O ATOM 111 OE2 GLU A 7 -32.865 4.775 36.599 1.00 0.00 O ATOM 0 H GLU A 7 -36.119 6.987 41.782 1.00 0.00 H new ATOM 0 HA GLU A 7 -35.694 7.726 39.014 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -33.333 7.146 40.090 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -33.890 5.497 39.887 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -34.456 6.477 37.395 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -33.112 7.519 37.817 1.00 0.00 H new ATOM 118 N LYS A 8 -37.092 5.525 38.503 1.00 0.00 N ATOM 119 CA LYS A 8 -37.735 4.196 38.235 1.00 0.00 C ATOM 120 C LYS A 8 -36.784 2.930 38.260 1.00 0.00 C ATOM 121 O LYS A 8 -35.571 2.979 38.031 1.00 0.00 O ATOM 122 CB LYS A 8 -38.736 4.256 37.043 1.00 0.00 C ATOM 123 CG LYS A 8 -38.272 4.578 35.602 1.00 0.00 C ATOM 124 CD LYS A 8 -37.098 3.719 35.078 1.00 0.00 C ATOM 125 CE LYS A 8 -35.765 4.482 35.191 1.00 0.00 C ATOM 126 NZ LYS A 8 -34.597 3.595 34.969 1.00 0.00 N ATOM 0 H LYS A 8 -37.172 6.201 37.743 1.00 0.00 H new ATOM 0 HA LYS A 8 -38.336 4.002 39.123 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -39.237 3.289 37.004 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -39.492 4.997 37.303 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -39.120 4.454 34.929 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -37.981 5.627 35.558 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -37.039 2.791 35.646 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -37.278 3.446 34.038 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -35.748 5.293 34.463 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -35.691 4.939 36.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -33.867 3.797 35.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -34.895 2.602 35.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -34.209 3.764 34.019 1.00 0.00 H new ATOM 140 N ARG A 9 -37.365 1.772 38.575 1.00 0.00 N ATOM 141 CA ARG A 9 -36.699 0.563 39.059 1.00 0.00 C ATOM 142 C ARG A 9 -37.640 -0.614 38.679 1.00 0.00 C ATOM 143 O ARG A 9 -38.870 -0.551 38.722 1.00 0.00 O ATOM 144 CB ARG A 9 -36.574 0.619 40.607 1.00 0.00 C ATOM 145 CG ARG A 9 -35.502 1.554 41.175 1.00 0.00 C ATOM 146 CD ARG A 9 -34.092 1.005 40.957 1.00 0.00 C ATOM 147 NE ARG A 9 -33.098 2.053 41.287 1.00 0.00 N ATOM 148 CZ ARG A 9 -32.514 2.865 40.406 1.00 0.00 C ATOM 149 NH1 ARG A 9 -32.737 2.809 39.132 1.00 0.00 N ATOM 150 NH2 ARG A 9 -31.700 3.783 40.813 1.00 0.00 N ATOM 0 H ARG A 9 -38.374 1.646 38.494 1.00 0.00 H new ATOM 0 HA ARG A 9 -35.702 0.456 38.631 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -37.539 0.919 41.016 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -36.373 -0.389 40.969 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -35.587 2.533 40.703 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -35.674 1.698 42.242 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -33.931 0.127 41.582 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -33.970 0.686 39.922 1.00 0.00 H new ATOM 0 HE ARG A 9 -32.840 2.162 42.268 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -33.388 2.118 38.758 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -32.262 3.456 38.502 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -31.504 3.886 41.809 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -31.253 4.404 40.138 1.00 0.00 H new ATOM 164 N MET A 10 -37.018 -1.720 38.338 1.00 0.00 N ATOM 165 CA MET A 10 -37.720 -3.000 38.074 1.00 0.00 C ATOM 166 C MET A 10 -37.965 -3.844 39.356 1.00 0.00 C ATOM 167 O MET A 10 -37.060 -4.189 40.123 1.00 0.00 O ATOM 168 CB MET A 10 -37.035 -3.791 36.944 1.00 0.00 C ATOM 169 CG MET A 10 -37.286 -3.148 35.565 1.00 0.00 C ATOM 170 SD MET A 10 -37.660 -4.389 34.318 1.00 0.00 S ATOM 171 CE MET A 10 -39.391 -4.626 34.761 1.00 0.00 C ATOM 0 H MET A 10 -36.005 -1.779 38.230 1.00 0.00 H new ATOM 0 HA MET A 10 -38.719 -2.745 37.720 1.00 0.00 H new ATOM 0 HB2 MET A 10 -35.963 -3.841 37.133 1.00 0.00 H new ATOM 0 HB3 MET A 10 -37.406 -4.816 36.941 1.00 0.00 H new ATOM 0 HG2 MET A 10 -38.113 -2.442 35.637 1.00 0.00 H new ATOM 0 HG3 MET A 10 -36.407 -2.579 35.262 1.00 0.00 H new ATOM 0 HE1 MET A 10 -39.841 -5.359 34.091 1.00 0.00 H new ATOM 0 HE2 MET A 10 -39.458 -4.984 35.788 1.00 0.00 H new ATOM 0 HE3 MET A 10 -39.922 -3.678 34.672 1.00 0.00 H new ATOM 181 N SER A 11 -39.248 -4.143 39.556 1.00 0.00 N ATOM 182 CA SER A 11 -39.752 -4.857 40.761 1.00 0.00 C ATOM 183 C SER A 11 -39.356 -6.366 40.829 1.00 0.00 C ATOM 184 O SER A 11 -39.858 -7.211 40.079 1.00 0.00 O ATOM 185 CB SER A 11 -41.282 -4.661 40.818 1.00 0.00 C ATOM 186 OG SER A 11 -41.838 -5.108 42.057 1.00 0.00 O ATOM 0 H SER A 11 -39.983 -3.901 38.891 1.00 0.00 H new ATOM 0 HA SER A 11 -39.272 -4.424 41.638 1.00 0.00 H new ATOM 0 HB2 SER A 11 -41.517 -3.606 40.676 1.00 0.00 H new ATOM 0 HB3 SER A 11 -41.747 -5.205 39.996 1.00 0.00 H new ATOM 0 HG SER A 11 -42.807 -4.964 42.051 1.00 0.00 H new ATOM 192 N ARG A 12 -38.477 -6.702 41.787 1.00 0.00 N ATOM 193 CA ARG A 12 -38.078 -8.112 42.071 1.00 0.00 C ATOM 194 C ARG A 12 -39.139 -8.866 42.954 1.00 0.00 C ATOM 195 O ARG A 12 -38.912 -9.187 44.123 1.00 0.00 O ATOM 196 CB ARG A 12 -36.653 -8.064 42.696 1.00 0.00 C ATOM 197 CG ARG A 12 -35.512 -7.629 41.732 1.00 0.00 C ATOM 198 CD ARG A 12 -34.153 -7.363 42.407 1.00 0.00 C ATOM 199 NE ARG A 12 -33.553 -8.630 42.918 1.00 0.00 N ATOM 200 CZ ARG A 12 -32.402 -8.732 43.571 1.00 0.00 C ATOM 201 NH1 ARG A 12 -31.627 -7.717 43.833 1.00 0.00 N ATOM 202 NH2 ARG A 12 -32.028 -9.906 43.970 1.00 0.00 N ATOM 0 H ARG A 12 -38.019 -6.018 42.389 1.00 0.00 H new ATOM 0 HA ARG A 12 -38.047 -8.701 41.154 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -36.670 -7.378 43.543 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -36.415 -9.052 43.090 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -35.380 -8.404 40.977 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -35.824 -6.725 41.209 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -33.474 -6.897 41.694 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -34.283 -6.660 43.230 1.00 0.00 H new ATOM 0 HE ARG A 12 -34.072 -9.492 42.751 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -31.894 -6.780 43.532 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -30.753 -7.860 44.339 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -32.613 -10.720 43.780 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -31.148 -10.017 44.474 1.00 0.00 H new ATOM 216 N SER A 13 -40.314 -9.119 42.359 1.00 0.00 N ATOM 217 CA SER A 13 -41.508 -9.667 43.060 1.00 0.00 C ATOM 218 C SER A 13 -42.381 -10.495 42.063 1.00 0.00 C ATOM 219 O SER A 13 -42.381 -11.726 42.140 1.00 0.00 O ATOM 220 CB SER A 13 -42.249 -8.514 43.790 1.00 0.00 C ATOM 221 OG SER A 13 -43.422 -8.983 44.457 1.00 0.00 O ATOM 0 H SER A 13 -40.474 -8.950 41.366 1.00 0.00 H new ATOM 0 HA SER A 13 -41.223 -10.375 43.838 1.00 0.00 H new ATOM 0 HB2 SER A 13 -41.579 -8.051 44.514 1.00 0.00 H new ATOM 0 HB3 SER A 13 -42.523 -7.743 43.070 1.00 0.00 H new ATOM 0 HG SER A 13 -43.864 -8.233 44.908 1.00 0.00 H new ATOM 227 N SER A 14 -43.117 -9.866 41.118 1.00 0.00 N ATOM 228 CA SER A 14 -43.822 -10.603 40.020 1.00 0.00 C ATOM 229 C SER A 14 -44.023 -9.773 38.709 1.00 0.00 C ATOM 230 O SER A 14 -45.151 -9.511 38.273 1.00 0.00 O ATOM 231 CB SER A 14 -45.144 -11.221 40.559 1.00 0.00 C ATOM 232 OG SER A 14 -44.894 -12.304 41.456 1.00 0.00 O ATOM 0 H SER A 14 -43.244 -8.854 41.085 1.00 0.00 H new ATOM 0 HA SER A 14 -43.164 -11.413 39.707 1.00 0.00 H new ATOM 0 HB2 SER A 14 -45.723 -10.452 41.070 1.00 0.00 H new ATOM 0 HB3 SER A 14 -45.748 -11.573 39.723 1.00 0.00 H new ATOM 0 HG SER A 14 -43.927 -12.430 41.556 1.00 0.00 H new ATOM 238 N GLY A 15 -42.918 -9.394 38.040 1.00 0.00 N ATOM 239 CA GLY A 15 -42.963 -8.790 36.681 1.00 0.00 C ATOM 240 C GLY A 15 -43.521 -7.360 36.588 1.00 0.00 C ATOM 241 O GLY A 15 -44.355 -7.091 35.723 1.00 0.00 O ATOM 0 H GLY A 15 -41.975 -9.493 38.415 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -41.952 -8.790 36.273 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -43.565 -9.434 36.040 1.00 0.00 H new ATOM 245 N ARG A 16 -43.103 -6.466 37.501 1.00 0.00 N ATOM 246 CA ARG A 16 -43.565 -5.059 37.520 1.00 0.00 C ATOM 247 C ARG A 16 -42.383 -4.053 37.351 1.00 0.00 C ATOM 248 O ARG A 16 -41.207 -4.356 37.546 1.00 0.00 O ATOM 249 CB ARG A 16 -44.431 -4.774 38.796 1.00 0.00 C ATOM 250 CG ARG A 16 -45.955 -5.037 38.714 1.00 0.00 C ATOM 251 CD ARG A 16 -46.345 -6.522 38.654 1.00 0.00 C ATOM 252 NE ARG A 16 -47.822 -6.655 38.771 1.00 0.00 N ATOM 253 CZ ARG A 16 -48.506 -7.781 38.593 1.00 0.00 C ATOM 254 NH1 ARG A 16 -47.961 -8.930 38.309 1.00 0.00 N ATOM 255 NH2 ARG A 16 -49.795 -7.735 38.709 1.00 0.00 N ATOM 0 H ARG A 16 -42.440 -6.692 38.243 1.00 0.00 H new ATOM 0 HA ARG A 16 -44.210 -4.904 36.655 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -44.032 -5.376 39.612 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -44.287 -3.729 39.071 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -46.436 -4.583 39.581 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -46.350 -4.535 37.831 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -46.003 -6.961 37.716 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -45.855 -7.070 39.459 1.00 0.00 H new ATOM 0 HE ARG A 16 -48.352 -5.816 39.006 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -46.948 -9.004 38.210 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -48.547 -9.756 38.185 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -50.256 -6.853 38.931 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -50.349 -8.581 38.579 1.00 0.00 H new ATOM 269 N VAL A 17 -42.734 -2.811 37.029 1.00 0.00 N ATOM 270 CA VAL A 17 -41.864 -1.618 37.215 1.00 0.00 C ATOM 271 C VAL A 17 -42.477 -0.741 38.353 1.00 0.00 C ATOM 272 O VAL A 17 -43.692 -0.536 38.453 1.00 0.00 O ATOM 273 CB VAL A 17 -41.569 -0.852 35.877 1.00 0.00 C ATOM 274 CG1 VAL A 17 -42.762 -0.743 34.918 1.00 0.00 C ATOM 275 CG2 VAL A 17 -41.007 0.582 36.071 1.00 0.00 C ATOM 0 H VAL A 17 -43.642 -2.585 36.624 1.00 0.00 H new ATOM 0 HA VAL A 17 -40.868 -1.931 37.529 1.00 0.00 H new ATOM 0 HB VAL A 17 -40.807 -1.492 35.432 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -42.461 -0.198 34.023 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -43.097 -1.742 34.639 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -43.577 -0.211 35.410 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -40.832 1.039 35.097 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -41.726 1.182 36.629 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -40.068 0.533 36.623 1.00 0.00 H new ATOM 285 N TYR A 18 -41.585 -0.209 39.190 1.00 0.00 N ATOM 286 CA TYR A 18 -41.926 0.722 40.281 1.00 0.00 C ATOM 287 C TYR A 18 -41.044 2.021 40.224 1.00 0.00 C ATOM 288 O TYR A 18 -40.053 2.141 39.497 1.00 0.00 O ATOM 289 CB TYR A 18 -41.907 -0.113 41.599 1.00 0.00 C ATOM 290 CG TYR A 18 -40.547 -0.390 42.234 1.00 0.00 C ATOM 291 CD1 TYR A 18 -39.763 -1.433 41.756 1.00 0.00 C ATOM 292 CD2 TYR A 18 -40.086 0.393 43.290 1.00 0.00 C ATOM 293 CE1 TYR A 18 -38.543 -1.729 42.349 1.00 0.00 C ATOM 294 CE2 TYR A 18 -38.861 0.109 43.881 1.00 0.00 C ATOM 295 CZ TYR A 18 -38.089 -0.959 43.419 1.00 0.00 C ATOM 296 OH TYR A 18 -36.877 -1.234 43.992 1.00 0.00 O ATOM 0 H TYR A 18 -40.587 -0.413 39.133 1.00 0.00 H new ATOM 0 HA TYR A 18 -42.927 1.145 40.196 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -42.523 0.404 42.334 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -42.387 -1.071 41.398 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -40.106 -2.019 40.916 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -40.680 1.220 43.649 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -37.948 -2.553 41.983 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -38.505 0.716 44.700 1.00 0.00 H new ATOM 0 HH TYR A 18 -36.710 -0.604 44.724 1.00 0.00 H new ATOM 306 N TYR A 19 -41.470 3.027 40.983 1.00 0.00 N ATOM 307 CA TYR A 19 -40.860 4.377 41.014 1.00 0.00 C ATOM 308 C TYR A 19 -40.535 4.758 42.484 1.00 0.00 C ATOM 309 O TYR A 19 -41.323 4.534 43.410 1.00 0.00 O ATOM 310 CB TYR A 19 -41.825 5.407 40.407 1.00 0.00 C ATOM 311 CG TYR A 19 -42.077 5.377 38.892 1.00 0.00 C ATOM 312 CD1 TYR A 19 -42.823 4.376 38.263 1.00 0.00 C ATOM 313 CD2 TYR A 19 -41.633 6.464 38.144 1.00 0.00 C ATOM 314 CE1 TYR A 19 -43.125 4.468 36.906 1.00 0.00 C ATOM 315 CE2 TYR A 19 -41.919 6.554 36.782 1.00 0.00 C ATOM 316 CZ TYR A 19 -42.679 5.562 36.170 1.00 0.00 C ATOM 317 OH TYR A 19 -43.066 5.707 34.867 1.00 0.00 O ATOM 0 H TYR A 19 -42.267 2.936 41.613 1.00 0.00 H new ATOM 0 HA TYR A 19 -39.941 4.372 40.427 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -42.788 5.292 40.905 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -41.452 6.399 40.661 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -43.168 3.526 38.833 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -41.062 7.245 38.623 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -43.704 3.692 36.426 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -41.552 7.390 36.205 1.00 0.00 H new ATOM 0 HH TYR A 19 -42.669 6.523 34.497 1.00 0.00 H new ATOM 327 N PHE A 20 -39.325 5.290 42.688 1.00 0.00 N ATOM 328 CA PHE A 20 -38.619 5.125 43.980 1.00 0.00 C ATOM 329 C PHE A 20 -37.791 6.361 44.448 1.00 0.00 C ATOM 330 O PHE A 20 -36.771 6.681 43.839 1.00 0.00 O ATOM 331 CB PHE A 20 -37.792 3.803 43.880 1.00 0.00 C ATOM 332 CG PHE A 20 -36.993 3.429 45.141 1.00 0.00 C ATOM 333 CD1 PHE A 20 -37.646 3.038 46.297 1.00 0.00 C ATOM 334 CD2 PHE A 20 -35.618 3.586 45.156 1.00 0.00 C ATOM 335 CE1 PHE A 20 -36.932 2.797 47.465 1.00 0.00 C ATOM 336 CE2 PHE A 20 -34.894 3.363 46.322 1.00 0.00 C ATOM 337 CZ PHE A 20 -35.514 2.929 47.530 1.00 0.00 C ATOM 0 H PHE A 20 -38.814 5.832 41.992 1.00 0.00 H new ATOM 0 HA PHE A 20 -39.354 5.052 44.781 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -38.473 2.985 43.646 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -37.099 3.890 43.043 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -38.719 2.919 46.291 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -35.103 3.884 44.255 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -37.470 2.500 48.353 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -33.826 3.524 46.312 1.00 0.00 H new ATOM 0 HZ PHE A 20 -34.952 2.716 48.427 1.00 0.00 H new ATOM 347 N ASN A 21 -38.168 6.958 45.594 1.00 0.00 N ATOM 348 CA ASN A 21 -37.300 7.909 46.349 1.00 0.00 C ATOM 349 C ASN A 21 -36.142 7.176 47.116 1.00 0.00 C ATOM 350 O ASN A 21 -36.414 6.318 47.960 1.00 0.00 O ATOM 351 CB ASN A 21 -38.213 8.668 47.365 1.00 0.00 C ATOM 352 CG ASN A 21 -37.774 9.992 48.003 1.00 0.00 C ATOM 353 OD1 ASN A 21 -38.591 10.778 48.468 1.00 0.00 O ATOM 354 ND2 ASN A 21 -36.508 10.258 48.138 1.00 0.00 N ATOM 0 H ASN A 21 -39.077 6.802 46.029 1.00 0.00 H new ATOM 0 HA ASN A 21 -36.825 8.595 45.647 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -39.160 8.859 46.859 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -38.421 7.977 48.182 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -36.214 11.106 48.623 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -35.809 9.619 47.759 1.00 0.00 H new ATOM 361 N HIS A 22 -34.875 7.559 46.893 1.00 0.00 N ATOM 362 CA HIS A 22 -33.704 6.928 47.587 1.00 0.00 C ATOM 363 C HIS A 22 -33.490 7.366 49.079 1.00 0.00 C ATOM 364 O HIS A 22 -33.198 6.533 49.935 1.00 0.00 O ATOM 365 CB HIS A 22 -32.385 7.176 46.793 1.00 0.00 C ATOM 366 CG HIS A 22 -32.334 6.913 45.289 1.00 0.00 C ATOM 367 ND1 HIS A 22 -33.212 6.106 44.600 1.00 0.00 N ATOM 368 CD2 HIS A 22 -31.619 7.717 44.391 1.00 0.00 C ATOM 369 CE1 HIS A 22 -33.020 6.590 43.341 1.00 0.00 C ATOM 370 NE2 HIS A 22 -32.041 7.510 43.092 1.00 0.00 N ATOM 0 H HIS A 22 -34.619 8.300 46.241 1.00 0.00 H new ATOM 0 HA HIS A 22 -33.953 5.867 47.613 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -32.105 8.218 46.949 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -31.610 6.565 47.255 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -33.826 5.363 44.934 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -30.840 8.408 44.677 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -33.647 6.243 42.533 1.00 0.00 H new ATOM 378 N ILE A 23 -33.587 8.678 49.364 1.00 0.00 N ATOM 379 CA ILE A 23 -33.306 9.273 50.713 1.00 0.00 C ATOM 380 C ILE A 23 -34.419 8.929 51.771 1.00 0.00 C ATOM 381 O ILE A 23 -34.115 8.447 52.863 1.00 0.00 O ATOM 382 CB ILE A 23 -33.033 10.824 50.581 1.00 0.00 C ATOM 383 CG1 ILE A 23 -32.115 11.302 49.410 1.00 0.00 C ATOM 384 CG2 ILE A 23 -32.521 11.449 51.905 1.00 0.00 C ATOM 385 CD1 ILE A 23 -30.702 10.691 49.343 1.00 0.00 C ATOM 0 H ILE A 23 -33.864 9.372 48.669 1.00 0.00 H new ATOM 0 HA ILE A 23 -32.398 8.812 51.103 1.00 0.00 H new ATOM 0 HB ILE A 23 -34.029 11.189 50.330 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -32.623 11.087 48.470 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -32.014 12.385 49.477 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -32.349 12.516 51.761 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -33.266 11.304 52.688 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -31.588 10.967 52.198 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -30.167 11.104 48.488 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -30.160 10.927 50.258 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -30.778 9.609 49.235 1.00 0.00 H new ATOM 397 N THR A 24 -35.699 9.156 51.431 1.00 0.00 N ATOM 398 CA THR A 24 -36.869 8.621 52.193 1.00 0.00 C ATOM 399 C THR A 24 -36.989 7.051 52.250 1.00 0.00 C ATOM 400 O THR A 24 -37.288 6.493 53.306 1.00 0.00 O ATOM 401 CB THR A 24 -38.140 9.266 51.566 1.00 0.00 C ATOM 402 OG1 THR A 24 -38.102 10.689 51.624 1.00 0.00 O ATOM 403 CG2 THR A 24 -39.477 8.843 52.177 1.00 0.00 C ATOM 0 H THR A 24 -35.965 9.715 50.621 1.00 0.00 H new ATOM 0 HA THR A 24 -36.737 8.889 53.241 1.00 0.00 H new ATOM 0 HB THR A 24 -38.102 8.892 50.543 1.00 0.00 H new ATOM 0 HG1 THR A 24 -38.233 11.057 50.725 1.00 0.00 H new ATOM 0 HG21 THR A 24 -40.290 9.354 51.662 1.00 0.00 H new ATOM 0 HG22 THR A 24 -39.601 7.765 52.071 1.00 0.00 H new ATOM 0 HG23 THR A 24 -39.494 9.108 53.234 1.00 0.00 H new ATOM 411 N ASN A 25 -36.874 6.390 51.082 1.00 0.00 N ATOM 412 CA ASN A 25 -37.365 5.002 50.819 1.00 0.00 C ATOM 413 C ASN A 25 -38.919 4.991 50.581 1.00 0.00 C ATOM 414 O ASN A 25 -39.691 4.529 51.426 1.00 0.00 O ATOM 415 CB ASN A 25 -36.801 3.940 51.810 1.00 0.00 C ATOM 416 CG ASN A 25 -36.966 2.484 51.378 1.00 0.00 C ATOM 417 OD1 ASN A 25 -36.125 1.899 50.709 1.00 0.00 O ATOM 418 ND2 ASN A 25 -38.051 1.846 51.730 1.00 0.00 N ATOM 0 H ASN A 25 -36.427 6.808 50.266 1.00 0.00 H new ATOM 0 HA ASN A 25 -36.939 4.660 49.876 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -35.740 4.138 51.962 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -37.291 4.072 52.775 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -38.186 0.875 51.447 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -38.762 2.319 52.288 1.00 0.00 H new ATOM 425 N ALA A 26 -39.371 5.506 49.419 1.00 0.00 N ATOM 426 CA ALA A 26 -40.804 5.573 49.053 1.00 0.00 C ATOM 427 C ALA A 26 -41.081 4.911 47.671 1.00 0.00 C ATOM 428 O ALA A 26 -40.961 5.548 46.618 1.00 0.00 O ATOM 429 CB ALA A 26 -41.272 7.040 49.114 1.00 0.00 C ATOM 0 H ALA A 26 -38.752 5.889 48.705 1.00 0.00 H new ATOM 0 HA ALA A 26 -41.386 4.997 49.772 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -42.327 7.097 48.845 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -41.134 7.424 50.125 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -40.687 7.638 48.415 1.00 0.00 H new ATOM 435 N SER A 27 -41.482 3.632 47.690 1.00 0.00 N ATOM 436 CA SER A 27 -41.874 2.883 46.469 1.00 0.00 C ATOM 437 C SER A 27 -43.391 3.001 46.112 1.00 0.00 C ATOM 438 O SER A 27 -44.279 2.778 46.941 1.00 0.00 O ATOM 439 CB SER A 27 -41.499 1.397 46.662 1.00 0.00 C ATOM 440 OG SER A 27 -42.139 0.811 47.801 1.00 0.00 O ATOM 0 H SER A 27 -41.547 3.081 48.546 1.00 0.00 H new ATOM 0 HA SER A 27 -41.334 3.328 45.633 1.00 0.00 H new ATOM 0 HB2 SER A 27 -41.774 0.838 45.768 1.00 0.00 H new ATOM 0 HB3 SER A 27 -40.418 1.310 46.773 1.00 0.00 H new ATOM 0 HG SER A 27 -42.985 1.274 47.975 1.00 0.00 H new ATOM 446 N GLN A 28 -43.663 3.281 44.839 1.00 0.00 N ATOM 447 CA GLN A 28 -45.015 3.110 44.217 1.00 0.00 C ATOM 448 C GLN A 28 -44.880 2.555 42.760 1.00 0.00 C ATOM 449 O GLN A 28 -43.790 2.296 42.266 1.00 0.00 O ATOM 450 CB GLN A 28 -45.840 4.433 44.325 1.00 0.00 C ATOM 451 CG GLN A 28 -45.229 5.647 43.599 1.00 0.00 C ATOM 452 CD GLN A 28 -46.170 6.840 43.629 1.00 0.00 C ATOM 453 OE1 GLN A 28 -46.406 7.468 44.654 1.00 0.00 O ATOM 454 NE2 GLN A 28 -46.803 7.110 42.532 1.00 0.00 N ATOM 0 H GLN A 28 -42.961 3.636 44.189 1.00 0.00 H new ATOM 0 HA GLN A 28 -45.584 2.362 44.769 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -46.838 4.254 43.924 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -45.960 4.683 45.379 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -44.283 5.916 44.069 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -45.008 5.382 42.565 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -46.600 6.582 41.683 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -47.504 7.851 42.517 1.00 0.00 H new ATOM 463 N TRP A 29 -45.992 2.411 42.046 1.00 0.00 N ATOM 464 CA TRP A 29 -46.008 1.901 40.635 1.00 0.00 C ATOM 465 C TRP A 29 -46.035 2.989 39.499 1.00 0.00 C ATOM 466 O TRP A 29 -45.835 2.633 38.336 1.00 0.00 O ATOM 467 CB TRP A 29 -47.164 0.867 40.466 1.00 0.00 C ATOM 468 CG TRP A 29 -47.384 -0.223 41.508 1.00 0.00 C ATOM 469 CD1 TRP A 29 -48.544 -0.396 42.274 1.00 0.00 C ATOM 470 CD2 TRP A 29 -46.581 -1.299 41.791 1.00 0.00 C ATOM 471 NE1 TRP A 29 -48.477 -1.572 43.035 1.00 0.00 N ATOM 472 CE2 TRP A 29 -47.240 -2.104 42.740 1.00 0.00 C ATOM 473 CE3 TRP A 29 -45.347 -1.694 41.246 1.00 0.00 C ATOM 474 CZ2 TRP A 29 -46.653 -3.312 43.180 1.00 0.00 C ATOM 475 CZ3 TRP A 29 -44.755 -2.868 41.718 1.00 0.00 C ATOM 476 CH2 TRP A 29 -45.403 -3.670 42.670 1.00 0.00 C ATOM 0 H TRP A 29 -46.918 2.638 42.408 1.00 0.00 H new ATOM 0 HA TRP A 29 -45.039 1.423 40.492 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -48.093 1.432 40.390 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -47.014 0.370 39.507 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -49.381 0.287 42.278 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -49.185 -1.949 43.665 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -44.867 -1.103 40.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -47.160 -3.944 43.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -43.785 -3.163 41.345 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -44.928 -4.577 43.013 1.00 0.00 H new ATOM 487 N GLU A 30 -46.269 4.277 39.819 1.00 0.00 N ATOM 488 CA GLU A 30 -46.341 5.389 38.842 1.00 0.00 C ATOM 489 C GLU A 30 -45.404 6.588 39.245 1.00 0.00 C ATOM 490 O GLU A 30 -44.979 6.786 40.385 1.00 0.00 O ATOM 491 CB GLU A 30 -47.858 5.740 38.695 1.00 0.00 C ATOM 492 CG GLU A 30 -48.272 6.962 37.819 1.00 0.00 C ATOM 493 CD GLU A 30 -47.888 7.000 36.344 1.00 0.00 C ATOM 494 OE1 GLU A 30 -46.771 6.585 35.980 1.00 0.00 O ATOM 495 OE2 GLU A 30 -48.646 7.579 35.539 1.00 0.00 O ATOM 0 H GLU A 30 -46.416 4.583 40.781 1.00 0.00 H new ATOM 0 HA GLU A 30 -45.952 5.108 37.863 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -48.361 4.861 38.292 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -48.256 5.904 39.696 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -49.357 7.050 37.875 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -47.855 7.854 38.287 1.00 0.00 H new ATOM 502 N ARG A 31 -45.101 7.383 38.225 1.00 0.00 N ATOM 503 CA ARG A 31 -44.469 8.732 38.295 1.00 0.00 C ATOM 504 C ARG A 31 -45.104 9.774 39.289 1.00 0.00 C ATOM 505 O ARG A 31 -46.270 9.606 39.662 1.00 0.00 O ATOM 506 CB ARG A 31 -44.622 9.124 36.786 1.00 0.00 C ATOM 507 CG ARG A 31 -44.044 10.430 36.184 1.00 0.00 C ATOM 508 CD ARG A 31 -44.271 10.566 34.650 1.00 0.00 C ATOM 509 NE ARG A 31 -45.702 10.682 34.255 1.00 0.00 N ATOM 510 CZ ARG A 31 -46.559 9.674 34.119 1.00 0.00 C ATOM 511 NH1 ARG A 31 -46.199 8.441 33.932 1.00 0.00 N ATOM 512 NH2 ARG A 31 -47.820 9.918 34.233 1.00 0.00 N ATOM 0 H ARG A 31 -45.294 7.104 37.263 1.00 0.00 H new ATOM 0 HA ARG A 31 -43.460 8.724 38.708 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -44.194 8.304 36.210 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -45.692 9.136 36.578 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -44.499 11.284 36.687 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -42.974 10.472 36.389 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -43.734 11.444 34.290 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -43.837 9.700 34.151 1.00 0.00 H new ATOM 0 HE ARG A 31 -46.058 11.620 34.072 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -45.209 8.201 33.882 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -46.906 7.712 33.835 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -48.141 10.867 34.423 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -48.497 9.162 34.133 1.00 0.00 H new ATOM 526 N PRO A 32 -44.474 10.939 39.647 1.00 0.00 N ATOM 527 CA PRO A 32 -45.237 12.129 40.151 1.00 0.00 C ATOM 528 C PRO A 32 -46.220 12.856 39.146 1.00 0.00 C ATOM 529 O PRO A 32 -46.395 14.076 39.180 1.00 0.00 O ATOM 530 CB PRO A 32 -44.067 13.016 40.632 1.00 0.00 C ATOM 531 CG PRO A 32 -42.864 12.655 39.753 1.00 0.00 C ATOM 532 CD PRO A 32 -43.020 11.164 39.525 1.00 0.00 C ATOM 0 HA PRO A 32 -45.974 11.854 40.905 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -44.315 14.073 40.536 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -43.848 12.834 41.684 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -42.875 13.207 38.813 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -41.922 12.888 40.249 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -42.651 10.869 38.543 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -42.463 10.586 40.262 1.00 0.00 H new ATOM 540 N SER A 33 -46.890 12.077 38.281 1.00 0.00 N ATOM 541 CA SER A 33 -47.952 12.529 37.339 1.00 0.00 C ATOM 542 C SER A 33 -47.444 13.367 36.121 1.00 0.00 C ATOM 543 O SER A 33 -47.369 12.835 35.008 1.00 0.00 O ATOM 544 CB SER A 33 -49.203 13.094 38.059 1.00 0.00 C ATOM 545 OG SER A 33 -50.303 13.165 37.151 1.00 0.00 O ATOM 0 H SER A 33 -46.707 11.076 38.208 1.00 0.00 H new ATOM 0 HA SER A 33 -48.304 11.618 36.854 1.00 0.00 H new ATOM 0 HB2 SER A 33 -49.462 12.459 38.907 1.00 0.00 H new ATOM 0 HB3 SER A 33 -48.986 14.085 38.457 1.00 0.00 H new ATOM 0 HG SER A 33 -51.089 13.521 37.616 1.00 0.00 H new ATOM 551 N GLY A 34 -47.104 14.655 36.307 1.00 0.00 N ATOM 552 CA GLY A 34 -46.693 15.564 35.195 1.00 0.00 C ATOM 553 C GLY A 34 -47.808 16.025 34.225 1.00 0.00 C ATOM 554 O GLY A 34 -48.224 17.181 34.247 1.00 0.00 O ATOM 0 H GLY A 34 -47.103 15.104 37.223 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -46.235 16.451 35.632 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -45.921 15.061 34.612 1.00 0.00 H new ATOM 558 N ASN A 35 -48.259 15.096 33.378 1.00 0.00 N ATOM 559 CA ASN A 35 -49.360 15.312 32.402 1.00 0.00 C ATOM 560 C ASN A 35 -50.771 15.188 33.073 1.00 0.00 C ATOM 561 O ASN A 35 -51.024 14.281 33.879 1.00 0.00 O ATOM 562 CB ASN A 35 -49.228 14.274 31.249 1.00 0.00 C ATOM 563 CG ASN A 35 -47.910 14.255 30.471 1.00 0.00 C ATOM 564 OD1 ASN A 35 -47.003 13.481 30.767 1.00 0.00 O ATOM 565 ND2 ASN A 35 -47.761 15.079 29.470 1.00 0.00 N ATOM 0 H ASN A 35 -47.871 14.153 33.341 1.00 0.00 H new ATOM 0 HA ASN A 35 -49.275 16.326 32.011 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -49.386 13.281 31.669 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -50.036 14.453 30.540 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -46.893 15.080 28.935 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -48.513 15.722 29.223 1.00 0.00 H new ATOM 572 N SER A 36 -51.709 16.070 32.709 1.00 0.00 N ATOM 573 CA SER A 36 -53.073 16.117 33.311 1.00 0.00 C ATOM 574 C SER A 36 -54.112 15.108 32.696 1.00 0.00 C ATOM 575 O SER A 36 -55.158 15.502 32.167 1.00 0.00 O ATOM 576 CB SER A 36 -53.504 17.603 33.219 1.00 0.00 C ATOM 577 OG SER A 36 -54.817 17.789 33.750 1.00 0.00 O ATOM 0 H SER A 36 -51.557 16.777 31.990 1.00 0.00 H new ATOM 0 HA SER A 36 -53.044 15.771 34.344 1.00 0.00 H new ATOM 0 HB2 SER A 36 -52.795 18.225 33.765 1.00 0.00 H new ATOM 0 HB3 SER A 36 -53.479 17.929 32.179 1.00 0.00 H new ATOM 0 HG SER A 36 -55.434 17.158 33.324 1.00 0.00 H new ATOM 583 N SER A 37 -53.845 13.791 32.817 1.00 0.00 N ATOM 584 CA SER A 37 -54.672 12.689 32.225 1.00 0.00 C ATOM 585 C SER A 37 -54.686 12.573 30.659 1.00 0.00 C ATOM 586 O SER A 37 -54.317 11.528 30.119 1.00 0.00 O ATOM 587 CB SER A 37 -56.076 12.587 32.878 1.00 0.00 C ATOM 588 OG SER A 37 -56.727 11.365 32.518 1.00 0.00 O ATOM 0 H SER A 37 -53.038 13.445 33.335 1.00 0.00 H new ATOM 0 HA SER A 37 -54.124 11.788 32.500 1.00 0.00 H new ATOM 0 HB2 SER A 37 -55.981 12.645 33.962 1.00 0.00 H new ATOM 0 HB3 SER A 37 -56.688 13.434 32.566 1.00 0.00 H new ATOM 0 HG SER A 37 -57.609 11.326 32.944 1.00 0.00 H new ATOM 594 N SER A 38 -55.140 13.610 29.939 1.00 0.00 N ATOM 595 CA SER A 38 -54.941 13.734 28.465 1.00 0.00 C ATOM 596 C SER A 38 -54.339 15.135 28.088 1.00 0.00 C ATOM 597 O SER A 38 -54.947 15.912 27.344 1.00 0.00 O ATOM 598 CB SER A 38 -56.301 13.420 27.791 1.00 0.00 C ATOM 599 OG SER A 38 -56.219 13.597 26.376 1.00 0.00 O ATOM 0 H SER A 38 -55.655 14.389 30.349 1.00 0.00 H new ATOM 0 HA SER A 38 -54.203 13.021 28.097 1.00 0.00 H new ATOM 0 HB2 SER A 38 -56.596 12.395 28.017 1.00 0.00 H new ATOM 0 HB3 SER A 38 -57.073 14.072 28.199 1.00 0.00 H new ATOM 0 HG SER A 38 -55.895 14.500 26.178 1.00 0.00 H new ATOM 605 N GLY A 39 -53.132 15.433 28.588 1.00 0.00 N ATOM 606 CA GLY A 39 -52.482 16.750 28.400 1.00 0.00 C ATOM 607 C GLY A 39 -51.154 16.822 29.154 1.00 0.00 C ATOM 608 O GLY A 39 -51.124 17.346 30.287 1.00 0.00 O ATOM 609 OXT GLY A 39 -50.128 16.348 28.623 1.00 0.00 O ATOM 0 H GLY A 39 -52.575 14.775 29.133 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -52.311 16.926 27.338 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -53.146 17.540 28.751 1.00 0.00 H new TER 613 GLY A 39