USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 454 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 42 ASN : amide:sc= 0.281 K(o=-0.4,f=-10!) USER MOD Set 1.2: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 47 GLN : amide:sc= -0.682 K(o=-0.4,f=-0.99) USER MOD Set 2.1: A 29 THR OG1 : rot -169:sc= 0.0561 USER MOD Set 2.2: A 58 TYR OH : rot 120:sc= -0.0454 USER MOD Set 3.1: A 23 TYR OH : rot 165:sc= 0.0255 USER MOD Set 3.2: A 48 TYR OH : rot -163:sc= 1.25 USER MOD Set 4.1: A 15 TYR OH : rot 40:sc= -0.881 USER MOD Set 4.2: A 40 TYR OH : rot 180:sc= -0.11 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -160:sc= -0.167 (180deg=-0.735) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0115 USER MOD Single : A 13 SER OG : rot 84:sc= 1.23 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0699 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 91:sc= 1.32 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= -0.0865 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 116:sc= 0.992 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc=-0.00403 USER MOD Single : A 43 SER OG : rot -125:sc= 0.0786 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -158:sc= -0.0585 (180deg=-0.366) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0281 USER MOD Single : A 64 SER OG : rot 55:sc= 0.035 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.338 -12.819 -5.439 1.00 0.00 N ATOM 2 CA GLY A 1 -19.851 -12.569 -4.061 1.00 0.00 C ATOM 3 C GLY A 1 -19.877 -11.100 -3.708 1.00 0.00 C ATOM 4 O GLY A 1 -18.847 -10.425 -3.779 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.303 -13.839 -5.640 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.318 -12.482 -5.527 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.735 -12.312 -6.118 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.467 -13.123 -3.353 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.834 -12.947 -3.962 1.00 0.00 H new ATOM 10 N ALA A 2 -21.064 -10.604 -3.354 1.00 0.00 N ATOM 11 CA ALA A 2 -21.272 -9.209 -2.945 1.00 0.00 C ATOM 12 C ALA A 2 -21.200 -8.234 -4.121 1.00 0.00 C ATOM 13 O ALA A 2 -21.921 -7.235 -4.140 1.00 0.00 O ATOM 14 CB ALA A 2 -20.293 -8.804 -1.852 1.00 0.00 C ATOM 0 H ALA A 2 -21.917 -11.163 -3.342 1.00 0.00 H new ATOM 0 HA ALA A 2 -22.284 -9.153 -2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -20.471 -7.766 -1.570 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -20.433 -9.446 -0.982 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -19.273 -8.910 -2.220 1.00 0.00 H new ATOM 20 N MET A 3 -20.312 -8.521 -5.081 1.00 0.00 N ATOM 21 CA MET A 3 -20.144 -7.717 -6.301 1.00 0.00 C ATOM 22 C MET A 3 -19.411 -6.404 -6.031 1.00 0.00 C ATOM 23 O MET A 3 -18.687 -5.906 -6.892 1.00 0.00 O ATOM 24 CB MET A 3 -21.486 -7.443 -6.989 1.00 0.00 C ATOM 25 CG MET A 3 -22.097 -8.665 -7.657 1.00 0.00 C ATOM 26 SD MET A 3 -21.041 -9.353 -8.948 1.00 0.00 S ATOM 27 CE MET A 3 -20.864 -7.933 -10.030 1.00 0.00 C ATOM 0 H MET A 3 -19.684 -9.324 -5.034 1.00 0.00 H new ATOM 0 HA MET A 3 -19.527 -8.311 -6.975 1.00 0.00 H new ATOM 0 HB2 MET A 3 -22.189 -7.055 -6.252 1.00 0.00 H new ATOM 0 HB3 MET A 3 -21.347 -6.663 -7.738 1.00 0.00 H new ATOM 0 HG2 MET A 3 -22.287 -9.429 -6.903 1.00 0.00 H new ATOM 0 HG3 MET A 3 -23.061 -8.395 -8.088 1.00 0.00 H new ATOM 0 HE1 MET A 3 -20.556 -8.267 -11.021 1.00 0.00 H new ATOM 0 HE2 MET A 3 -21.818 -7.410 -10.103 1.00 0.00 H new ATOM 0 HE3 MET A 3 -20.111 -7.258 -9.624 1.00 0.00 H new ATOM 37 N GLY A 4 -19.603 -5.845 -4.845 1.00 0.00 N ATOM 38 CA GLY A 4 -18.914 -4.622 -4.482 1.00 0.00 C ATOM 39 C GLY A 4 -17.535 -4.890 -3.922 1.00 0.00 C ATOM 40 O GLY A 4 -16.677 -4.005 -3.904 1.00 0.00 O ATOM 0 H GLY A 4 -20.224 -6.216 -4.126 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.830 -3.980 -5.359 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.505 -4.079 -3.745 1.00 0.00 H new ATOM 44 N THR A 5 -17.312 -6.117 -3.477 1.00 0.00 N ATOM 45 CA THR A 5 -16.039 -6.486 -2.892 1.00 0.00 C ATOM 46 C THR A 5 -15.058 -6.921 -3.972 1.00 0.00 C ATOM 47 O THR A 5 -14.783 -8.107 -4.158 1.00 0.00 O ATOM 48 CB THR A 5 -16.205 -7.630 -1.895 1.00 0.00 C ATOM 49 OG1 THR A 5 -17.325 -7.377 -1.036 1.00 0.00 O ATOM 50 CG2 THR A 5 -14.950 -7.814 -1.056 1.00 0.00 C ATOM 0 H THR A 5 -17.998 -6.871 -3.511 1.00 0.00 H new ATOM 0 HA THR A 5 -15.653 -5.608 -2.374 1.00 0.00 H new ATOM 0 HB THR A 5 -16.379 -8.545 -2.461 1.00 0.00 H new ATOM 0 HG1 THR A 5 -17.424 -8.117 -0.401 1.00 0.00 H new ATOM 0 HG21 THR A 5 -15.098 -8.636 -0.355 1.00 0.00 H new ATOM 0 HG22 THR A 5 -14.106 -8.041 -1.708 1.00 0.00 H new ATOM 0 HG23 THR A 5 -14.745 -6.898 -0.503 1.00 0.00 H new ATOM 58 N LYS A 6 -14.559 -5.948 -4.689 1.00 0.00 N ATOM 59 CA LYS A 6 -13.490 -6.161 -5.653 1.00 0.00 C ATOM 60 C LYS A 6 -12.169 -5.817 -4.990 1.00 0.00 C ATOM 61 O LYS A 6 -11.147 -6.473 -5.199 1.00 0.00 O ATOM 62 CB LYS A 6 -13.704 -5.292 -6.896 1.00 0.00 C ATOM 63 CG LYS A 6 -14.989 -5.609 -7.646 1.00 0.00 C ATOM 64 CD LYS A 6 -15.016 -7.055 -8.114 1.00 0.00 C ATOM 65 CE LYS A 6 -16.251 -7.357 -8.946 1.00 0.00 C ATOM 66 NZ LYS A 6 -16.251 -8.764 -9.427 1.00 0.00 N ATOM 0 H LYS A 6 -14.877 -4.981 -4.627 1.00 0.00 H new ATOM 0 HA LYS A 6 -13.486 -7.203 -5.972 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.716 -4.243 -6.598 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -12.858 -5.422 -7.570 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -15.846 -5.418 -7.000 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -15.084 -4.945 -8.505 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -14.122 -7.263 -8.702 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -14.990 -7.717 -7.249 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -17.146 -7.174 -8.351 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -16.292 -6.679 -9.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -17.107 -8.938 -9.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -15.409 -8.930 -10.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -16.237 -9.410 -8.612 1.00 0.00 H new ATOM 80 N TYR A 7 -12.223 -4.774 -4.182 1.00 0.00 N ATOM 81 CA TYR A 7 -11.104 -4.354 -3.369 1.00 0.00 C ATOM 82 C TYR A 7 -11.587 -4.135 -1.948 1.00 0.00 C ATOM 83 O TYR A 7 -12.304 -3.176 -1.670 1.00 0.00 O ATOM 84 CB TYR A 7 -10.479 -3.073 -3.934 1.00 0.00 C ATOM 85 CG TYR A 7 -9.769 -3.287 -5.252 1.00 0.00 C ATOM 86 CD1 TYR A 7 -8.428 -3.638 -5.283 1.00 0.00 C ATOM 87 CD2 TYR A 7 -10.444 -3.156 -6.460 1.00 0.00 C ATOM 88 CE1 TYR A 7 -7.775 -3.853 -6.484 1.00 0.00 C ATOM 89 CE2 TYR A 7 -9.799 -3.366 -7.664 1.00 0.00 C ATOM 90 CZ TYR A 7 -8.466 -3.715 -7.671 1.00 0.00 C ATOM 91 OH TYR A 7 -7.823 -3.936 -8.869 1.00 0.00 O ATOM 0 H TYR A 7 -13.053 -4.192 -4.073 1.00 0.00 H new ATOM 0 HA TYR A 7 -10.336 -5.127 -3.376 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -11.259 -2.324 -4.067 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.771 -2.671 -3.209 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.885 -3.745 -4.356 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -11.490 -2.886 -6.458 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -6.730 -4.127 -6.493 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -10.337 -3.257 -8.594 1.00 0.00 H new ATOM 0 HH TYR A 7 -8.452 -3.798 -9.608 1.00 0.00 H new ATOM 101 N ALA A 8 -11.242 -5.056 -1.068 1.00 0.00 N ATOM 102 CA ALA A 8 -11.632 -4.958 0.326 1.00 0.00 C ATOM 103 C ALA A 8 -10.450 -4.502 1.164 1.00 0.00 C ATOM 104 O ALA A 8 -9.380 -4.221 0.617 1.00 0.00 O ATOM 105 CB ALA A 8 -12.163 -6.292 0.829 1.00 0.00 C ATOM 0 H ALA A 8 -10.690 -5.883 -1.295 1.00 0.00 H new ATOM 0 HA ALA A 8 -12.430 -4.221 0.416 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.450 -6.198 1.876 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.032 -6.583 0.239 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.388 -7.052 0.732 1.00 0.00 H new ATOM 111 N VAL A 9 -10.642 -4.429 2.473 1.00 0.00 N ATOM 112 CA VAL A 9 -9.579 -4.024 3.383 1.00 0.00 C ATOM 113 C VAL A 9 -8.297 -4.835 3.155 1.00 0.00 C ATOM 114 O VAL A 9 -8.300 -6.070 3.174 1.00 0.00 O ATOM 115 CB VAL A 9 -10.020 -4.132 4.860 1.00 0.00 C ATOM 116 CG1 VAL A 9 -11.109 -3.116 5.157 1.00 0.00 C ATOM 117 CG2 VAL A 9 -10.498 -5.539 5.197 1.00 0.00 C ATOM 0 H VAL A 9 -11.527 -4.646 2.931 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.365 -2.978 3.165 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.154 -3.918 5.486 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.412 -3.202 6.201 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.730 -2.111 4.970 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.968 -3.305 4.513 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -10.801 -5.580 6.243 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.347 -5.796 4.564 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.689 -6.249 5.026 1.00 0.00 H new ATOM 127 N PRO A 10 -7.189 -4.135 2.892 1.00 0.00 N ATOM 128 CA PRO A 10 -5.899 -4.766 2.636 1.00 0.00 C ATOM 129 C PRO A 10 -5.207 -5.222 3.910 1.00 0.00 C ATOM 130 O PRO A 10 -5.133 -4.484 4.895 1.00 0.00 O ATOM 131 CB PRO A 10 -5.101 -3.657 1.956 1.00 0.00 C ATOM 132 CG PRO A 10 -5.668 -2.391 2.497 1.00 0.00 C ATOM 133 CD PRO A 10 -7.115 -2.666 2.803 1.00 0.00 C ATOM 0 HA PRO A 10 -5.998 -5.671 2.037 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.038 -3.741 2.180 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.203 -3.704 0.872 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.134 -2.080 3.395 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.572 -1.582 1.773 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.422 -2.194 3.736 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.769 -2.280 2.021 1.00 0.00 H new ATOM 141 N ASP A 11 -4.725 -6.449 3.892 1.00 0.00 N ATOM 142 CA ASP A 11 -3.927 -6.965 4.987 1.00 0.00 C ATOM 143 C ASP A 11 -2.460 -6.839 4.617 1.00 0.00 C ATOM 144 O ASP A 11 -2.042 -7.276 3.547 1.00 0.00 O ATOM 145 CB ASP A 11 -4.277 -8.430 5.282 1.00 0.00 C ATOM 146 CG ASP A 11 -3.654 -8.947 6.572 1.00 0.00 C ATOM 147 OD1 ASP A 11 -2.714 -8.311 7.096 1.00 0.00 O ATOM 148 OD2 ASP A 11 -4.108 -9.995 7.075 1.00 0.00 O ATOM 0 H ASP A 11 -4.873 -7.109 3.129 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.137 -6.389 5.888 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.360 -8.533 5.342 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.944 -9.051 4.451 1.00 0.00 H new ATOM 153 N THR A 12 -1.681 -6.237 5.490 1.00 0.00 N ATOM 154 CA THR A 12 -0.279 -6.017 5.218 1.00 0.00 C ATOM 155 C THR A 12 0.534 -7.287 5.463 1.00 0.00 C ATOM 156 O THR A 12 1.723 -7.353 5.148 1.00 0.00 O ATOM 157 CB THR A 12 0.251 -4.861 6.077 1.00 0.00 C ATOM 158 OG1 THR A 12 -0.098 -5.084 7.450 1.00 0.00 O ATOM 159 CG2 THR A 12 -0.342 -3.540 5.603 1.00 0.00 C ATOM 0 H THR A 12 -1.997 -5.891 6.396 1.00 0.00 H new ATOM 0 HA THR A 12 -0.172 -5.750 4.167 1.00 0.00 H new ATOM 0 HB THR A 12 1.336 -4.815 5.981 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.242 -4.346 7.998 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.041 -2.727 6.220 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.064 -3.369 4.563 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.428 -3.578 5.687 1.00 0.00 H new ATOM 167 N SER A 13 -0.124 -8.302 6.010 1.00 0.00 N ATOM 168 CA SER A 13 0.517 -9.582 6.270 1.00 0.00 C ATOM 169 C SER A 13 0.569 -10.427 4.998 1.00 0.00 C ATOM 170 O SER A 13 1.428 -11.299 4.851 1.00 0.00 O ATOM 171 CB SER A 13 -0.243 -10.323 7.369 1.00 0.00 C ATOM 172 OG SER A 13 -0.614 -9.427 8.405 1.00 0.00 O ATOM 0 H SER A 13 -1.106 -8.261 6.283 1.00 0.00 H new ATOM 0 HA SER A 13 1.540 -9.403 6.600 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.133 -10.794 6.951 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.379 -11.121 7.775 1.00 0.00 H new ATOM 0 HG SER A 13 -1.446 -8.970 8.160 1.00 0.00 H new ATOM 178 N THR A 14 -0.337 -10.144 4.067 1.00 0.00 N ATOM 179 CA THR A 14 -0.385 -10.871 2.804 1.00 0.00 C ATOM 180 C THR A 14 0.531 -10.225 1.766 1.00 0.00 C ATOM 181 O THR A 14 0.486 -10.566 0.583 1.00 0.00 O ATOM 182 CB THR A 14 -1.825 -10.946 2.250 1.00 0.00 C ATOM 183 OG1 THR A 14 -2.448 -9.658 2.311 1.00 0.00 O ATOM 184 CG2 THR A 14 -2.658 -11.945 3.034 1.00 0.00 C ATOM 0 H THR A 14 -1.047 -9.418 4.164 1.00 0.00 H new ATOM 0 HA THR A 14 -0.037 -11.885 3.004 1.00 0.00 H new ATOM 0 HB THR A 14 -1.767 -11.274 1.212 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.359 -9.718 1.956 1.00 0.00 H new ATOM 0 HG21 THR A 14 -3.667 -11.979 2.624 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.204 -12.933 2.962 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.701 -11.641 4.080 1.00 0.00 H new ATOM 192 N TYR A 15 1.359 -9.292 2.219 1.00 0.00 N ATOM 193 CA TYR A 15 2.282 -8.593 1.337 1.00 0.00 C ATOM 194 C TYR A 15 3.642 -9.277 1.324 1.00 0.00 C ATOM 195 O TYR A 15 3.965 -10.060 2.220 1.00 0.00 O ATOM 196 CB TYR A 15 2.456 -7.140 1.782 1.00 0.00 C ATOM 197 CG TYR A 15 1.228 -6.274 1.606 1.00 0.00 C ATOM 198 CD1 TYR A 15 1.211 -4.973 2.090 1.00 0.00 C ATOM 199 CD2 TYR A 15 0.097 -6.745 0.952 1.00 0.00 C ATOM 200 CE1 TYR A 15 0.104 -4.167 1.928 1.00 0.00 C ATOM 201 CE2 TYR A 15 -1.015 -5.944 0.788 1.00 0.00 C ATOM 202 CZ TYR A 15 -1.005 -4.657 1.277 1.00 0.00 C ATOM 203 OH TYR A 15 -2.105 -3.855 1.106 1.00 0.00 O ATOM 0 H TYR A 15 1.409 -9.002 3.196 1.00 0.00 H new ATOM 0 HA TYR A 15 1.860 -8.616 0.332 1.00 0.00 H new ATOM 0 HB2 TYR A 15 2.745 -7.128 2.833 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.279 -6.698 1.220 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.079 -4.586 2.602 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.087 -7.754 0.566 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.107 -3.157 2.310 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.888 -6.325 0.279 1.00 0.00 H new ATOM 0 HH TYR A 15 -1.815 -2.946 0.884 1.00 0.00 H new ATOM 213 N GLN A 16 4.436 -8.963 0.311 1.00 0.00 N ATOM 214 CA GLN A 16 5.785 -9.501 0.189 1.00 0.00 C ATOM 215 C GLN A 16 6.799 -8.408 0.491 1.00 0.00 C ATOM 216 O GLN A 16 6.921 -7.451 -0.269 1.00 0.00 O ATOM 217 CB GLN A 16 6.025 -10.039 -1.223 1.00 0.00 C ATOM 218 CG GLN A 16 5.035 -11.103 -1.665 1.00 0.00 C ATOM 219 CD GLN A 16 5.295 -11.584 -3.081 1.00 0.00 C ATOM 220 OE1 GLN A 16 6.434 -11.602 -3.545 1.00 0.00 O ATOM 221 NE2 GLN A 16 4.241 -11.983 -3.771 1.00 0.00 N ATOM 0 H GLN A 16 4.167 -8.333 -0.445 1.00 0.00 H new ATOM 0 HA GLN A 16 5.898 -10.319 0.901 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.985 -9.208 -1.927 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.032 -10.453 -1.275 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.087 -11.950 -0.981 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.023 -10.703 -1.600 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.313 -11.952 -3.348 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.355 -12.322 -4.726 1.00 0.00 H new ATOM 230 N TYR A 17 7.520 -8.540 1.593 1.00 0.00 N ATOM 231 CA TYR A 17 8.482 -7.521 1.988 1.00 0.00 C ATOM 232 C TYR A 17 9.670 -7.505 1.033 1.00 0.00 C ATOM 233 O TYR A 17 10.295 -8.539 0.780 1.00 0.00 O ATOM 234 CB TYR A 17 8.963 -7.747 3.427 1.00 0.00 C ATOM 235 CG TYR A 17 9.910 -6.673 3.923 1.00 0.00 C ATOM 236 CD1 TYR A 17 11.279 -6.898 3.988 1.00 0.00 C ATOM 237 CD2 TYR A 17 9.432 -5.433 4.324 1.00 0.00 C ATOM 238 CE1 TYR A 17 12.143 -5.920 4.439 1.00 0.00 C ATOM 239 CE2 TYR A 17 10.290 -4.448 4.775 1.00 0.00 C ATOM 240 CZ TYR A 17 11.642 -4.696 4.831 1.00 0.00 C ATOM 241 OH TYR A 17 12.498 -3.718 5.287 1.00 0.00 O ATOM 0 H TYR A 17 7.459 -9.337 2.227 1.00 0.00 H new ATOM 0 HA TYR A 17 7.982 -6.553 1.941 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.098 -7.791 4.088 1.00 0.00 H new ATOM 0 HB3 TYR A 17 9.460 -8.715 3.488 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.675 -7.855 3.680 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.371 -5.235 4.283 1.00 0.00 H new ATOM 0 HE1 TYR A 17 13.205 -6.112 4.485 1.00 0.00 H new ATOM 0 HE2 TYR A 17 9.901 -3.488 5.082 1.00 0.00 H new ATOM 0 HH TYR A 17 11.984 -2.917 5.521 1.00 0.00 H new ATOM 251 N ASP A 18 9.957 -6.337 0.481 1.00 0.00 N ATOM 252 CA ASP A 18 11.124 -6.159 -0.361 1.00 0.00 C ATOM 253 C ASP A 18 12.234 -5.497 0.433 1.00 0.00 C ATOM 254 O ASP A 18 12.012 -4.511 1.129 1.00 0.00 O ATOM 255 CB ASP A 18 10.801 -5.319 -1.592 1.00 0.00 C ATOM 256 CG ASP A 18 12.012 -5.176 -2.487 1.00 0.00 C ATOM 257 OD1 ASP A 18 12.821 -4.261 -2.253 1.00 0.00 O ATOM 258 OD2 ASP A 18 12.177 -5.999 -3.409 1.00 0.00 O ATOM 0 H ASP A 18 9.393 -5.496 0.603 1.00 0.00 H new ATOM 0 HA ASP A 18 11.448 -7.143 -0.699 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.986 -5.782 -2.149 1.00 0.00 H new ATOM 0 HB3 ASP A 18 10.455 -4.333 -1.283 1.00 0.00 H new ATOM 263 N GLU A 19 13.422 -6.056 0.327 1.00 0.00 N ATOM 264 CA GLU A 19 14.561 -5.619 1.115 1.00 0.00 C ATOM 265 C GLU A 19 15.289 -4.440 0.486 1.00 0.00 C ATOM 266 O GLU A 19 15.818 -3.579 1.190 1.00 0.00 O ATOM 267 CB GLU A 19 15.507 -6.792 1.281 1.00 0.00 C ATOM 268 CG GLU A 19 15.956 -7.400 -0.037 1.00 0.00 C ATOM 269 CD GLU A 19 16.632 -8.737 0.145 1.00 0.00 C ATOM 270 OE1 GLU A 19 17.875 -8.775 0.189 1.00 0.00 O ATOM 271 OE2 GLU A 19 15.920 -9.758 0.243 1.00 0.00 O ATOM 0 H GLU A 19 13.627 -6.827 -0.308 1.00 0.00 H new ATOM 0 HA GLU A 19 14.197 -5.276 2.083 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.385 -6.465 1.839 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.018 -7.561 1.879 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.093 -7.519 -0.692 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.642 -6.714 -0.535 1.00 0.00 H new ATOM 278 N SER A 20 15.311 -4.402 -0.834 1.00 0.00 N ATOM 279 CA SER A 20 16.075 -3.397 -1.546 1.00 0.00 C ATOM 280 C SER A 20 15.359 -2.057 -1.480 1.00 0.00 C ATOM 281 O SER A 20 15.985 -0.995 -1.507 1.00 0.00 O ATOM 282 CB SER A 20 16.275 -3.832 -2.998 1.00 0.00 C ATOM 283 OG SER A 20 17.148 -2.951 -3.688 1.00 0.00 O ATOM 0 H SER A 20 14.808 -5.056 -1.434 1.00 0.00 H new ATOM 0 HA SER A 20 17.053 -3.288 -1.078 1.00 0.00 H new ATOM 0 HB2 SER A 20 16.681 -4.843 -3.024 1.00 0.00 H new ATOM 0 HB3 SER A 20 15.311 -3.863 -3.506 1.00 0.00 H new ATOM 0 HG SER A 20 17.257 -3.256 -4.613 1.00 0.00 H new ATOM 289 N SER A 21 14.046 -2.116 -1.376 1.00 0.00 N ATOM 290 CA SER A 21 13.237 -0.920 -1.316 1.00 0.00 C ATOM 291 C SER A 21 12.692 -0.691 0.089 1.00 0.00 C ATOM 292 O SER A 21 12.410 0.441 0.479 1.00 0.00 O ATOM 293 CB SER A 21 12.100 -1.020 -2.323 1.00 0.00 C ATOM 294 OG SER A 21 12.609 -1.080 -3.647 1.00 0.00 O ATOM 0 H SER A 21 13.516 -2.986 -1.331 1.00 0.00 H new ATOM 0 HA SER A 21 13.864 -0.065 -1.568 1.00 0.00 H new ATOM 0 HB2 SER A 21 11.502 -1.908 -2.117 1.00 0.00 H new ATOM 0 HB3 SER A 21 11.439 -0.159 -2.220 1.00 0.00 H new ATOM 0 HG SER A 21 11.865 -1.146 -4.281 1.00 0.00 H new ATOM 300 N GLY A 22 12.559 -1.773 0.849 1.00 0.00 N ATOM 301 CA GLY A 22 12.083 -1.671 2.216 1.00 0.00 C ATOM 302 C GLY A 22 10.581 -1.497 2.301 1.00 0.00 C ATOM 303 O GLY A 22 10.063 -1.011 3.303 1.00 0.00 O ATOM 0 H GLY A 22 12.773 -2.722 0.541 1.00 0.00 H new ATOM 0 HA2 GLY A 22 12.372 -2.567 2.765 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.571 -0.827 2.704 1.00 0.00 H new ATOM 307 N TYR A 23 9.880 -1.900 1.255 1.00 0.00 N ATOM 308 CA TYR A 23 8.434 -1.758 1.202 1.00 0.00 C ATOM 309 C TYR A 23 7.767 -3.120 1.124 1.00 0.00 C ATOM 310 O TYR A 23 8.368 -4.091 0.666 1.00 0.00 O ATOM 311 CB TYR A 23 8.015 -0.925 -0.009 1.00 0.00 C ATOM 312 CG TYR A 23 8.383 0.536 0.083 1.00 0.00 C ATOM 313 CD1 TYR A 23 9.507 1.038 -0.560 1.00 0.00 C ATOM 314 CD2 TYR A 23 7.596 1.413 0.808 1.00 0.00 C ATOM 315 CE1 TYR A 23 9.834 2.375 -0.477 1.00 0.00 C ATOM 316 CE2 TYR A 23 7.915 2.752 0.896 1.00 0.00 C ATOM 317 CZ TYR A 23 9.035 3.228 0.252 1.00 0.00 C ATOM 318 OH TYR A 23 9.355 4.564 0.331 1.00 0.00 O ATOM 0 H TYR A 23 10.291 -2.330 0.427 1.00 0.00 H new ATOM 0 HA TYR A 23 8.117 -1.251 2.113 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.475 -1.348 -0.902 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.936 -1.008 -0.136 1.00 0.00 H new ATOM 0 HD1 TYR A 23 10.134 0.371 -1.133 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.717 1.043 1.314 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.712 2.751 -0.981 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.290 3.423 1.467 1.00 0.00 H new ATOM 0 HH TYR A 23 8.584 5.066 0.669 1.00 0.00 H new ATOM 328 N TYR A 24 6.530 -3.186 1.583 1.00 0.00 N ATOM 329 CA TYR A 24 5.732 -4.396 1.459 1.00 0.00 C ATOM 330 C TYR A 24 4.969 -4.388 0.146 1.00 0.00 C ATOM 331 O TYR A 24 4.048 -3.600 -0.035 1.00 0.00 O ATOM 332 CB TYR A 24 4.743 -4.515 2.618 1.00 0.00 C ATOM 333 CG TYR A 24 5.369 -4.895 3.938 1.00 0.00 C ATOM 334 CD1 TYR A 24 5.483 -6.228 4.305 1.00 0.00 C ATOM 335 CD2 TYR A 24 5.830 -3.929 4.822 1.00 0.00 C ATOM 336 CE1 TYR A 24 6.040 -6.590 5.515 1.00 0.00 C ATOM 337 CE2 TYR A 24 6.391 -4.283 6.033 1.00 0.00 C ATOM 338 CZ TYR A 24 6.493 -5.612 6.375 1.00 0.00 C ATOM 339 OH TYR A 24 7.048 -5.966 7.585 1.00 0.00 O ATOM 0 H TYR A 24 6.053 -2.413 2.047 1.00 0.00 H new ATOM 0 HA TYR A 24 6.408 -5.250 1.483 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.225 -3.563 2.736 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.989 -5.258 2.361 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.130 -6.996 3.632 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.749 -2.885 4.559 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.120 -7.632 5.786 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.748 -3.520 6.709 1.00 0.00 H new ATOM 0 HH TYR A 24 7.317 -5.158 8.070 1.00 0.00 H new ATOM 349 N TYR A 25 5.343 -5.266 -0.764 1.00 0.00 N ATOM 350 CA TYR A 25 4.706 -5.312 -2.067 1.00 0.00 C ATOM 351 C TYR A 25 3.319 -5.935 -1.975 1.00 0.00 C ATOM 352 O TYR A 25 3.159 -7.065 -1.505 1.00 0.00 O ATOM 353 CB TYR A 25 5.564 -6.092 -3.067 1.00 0.00 C ATOM 354 CG TYR A 25 4.883 -6.298 -4.404 1.00 0.00 C ATOM 355 CD1 TYR A 25 4.487 -7.565 -4.816 1.00 0.00 C ATOM 356 CD2 TYR A 25 4.617 -5.223 -5.245 1.00 0.00 C ATOM 357 CE1 TYR A 25 3.848 -7.755 -6.028 1.00 0.00 C ATOM 358 CE2 TYR A 25 3.981 -5.406 -6.458 1.00 0.00 C ATOM 359 CZ TYR A 25 3.599 -6.673 -6.845 1.00 0.00 C ATOM 360 OH TYR A 25 2.955 -6.860 -8.050 1.00 0.00 O ATOM 0 H TYR A 25 6.082 -5.955 -0.627 1.00 0.00 H new ATOM 0 HA TYR A 25 4.603 -4.286 -2.420 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.503 -5.560 -3.223 1.00 0.00 H new ATOM 0 HB3 TYR A 25 5.815 -7.063 -2.641 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.681 -8.415 -4.179 1.00 0.00 H new ATOM 0 HD2 TYR A 25 4.912 -4.228 -4.945 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.546 -8.746 -6.333 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.784 -4.560 -7.100 1.00 0.00 H new ATOM 0 HH TYR A 25 2.855 -5.998 -8.505 1.00 0.00 H new ATOM 370 N ASP A 26 2.328 -5.175 -2.413 1.00 0.00 N ATOM 371 CA ASP A 26 0.954 -5.640 -2.495 1.00 0.00 C ATOM 372 C ASP A 26 0.659 -6.166 -3.888 1.00 0.00 C ATOM 373 O ASP A 26 0.606 -5.391 -4.849 1.00 0.00 O ATOM 374 CB ASP A 26 -0.024 -4.511 -2.177 1.00 0.00 C ATOM 375 CG ASP A 26 -1.434 -4.841 -2.620 1.00 0.00 C ATOM 376 OD1 ASP A 26 -2.017 -5.817 -2.107 1.00 0.00 O ATOM 377 OD2 ASP A 26 -1.953 -4.135 -3.504 1.00 0.00 O ATOM 0 H ASP A 26 2.456 -4.212 -2.723 1.00 0.00 H new ATOM 0 HA ASP A 26 0.830 -6.438 -1.764 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.017 -4.317 -1.105 1.00 0.00 H new ATOM 0 HB3 ASP A 26 0.306 -3.596 -2.669 1.00 0.00 H new ATOM 382 N PRO A 27 0.458 -7.483 -4.010 1.00 0.00 N ATOM 383 CA PRO A 27 0.173 -8.137 -5.279 1.00 0.00 C ATOM 384 C PRO A 27 -1.309 -8.077 -5.626 1.00 0.00 C ATOM 385 O PRO A 27 -1.713 -8.395 -6.745 1.00 0.00 O ATOM 386 CB PRO A 27 0.610 -9.592 -5.043 1.00 0.00 C ATOM 387 CG PRO A 27 0.996 -9.691 -3.598 1.00 0.00 C ATOM 388 CD PRO A 27 0.492 -8.454 -2.917 1.00 0.00 C ATOM 0 HA PRO A 27 0.688 -7.659 -6.112 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.200 -10.283 -5.276 1.00 0.00 H new ATOM 0 HB3 PRO A 27 1.449 -9.855 -5.688 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.563 -10.583 -3.145 1.00 0.00 H new ATOM 0 HG3 PRO A 27 2.078 -9.774 -3.494 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -0.494 -8.606 -2.478 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.154 -8.136 -2.112 1.00 0.00 H new ATOM 396 N THR A 28 -2.112 -7.680 -4.648 1.00 0.00 N ATOM 397 CA THR A 28 -3.555 -7.603 -4.817 1.00 0.00 C ATOM 398 C THR A 28 -3.936 -6.420 -5.703 1.00 0.00 C ATOM 399 O THR A 28 -4.660 -6.575 -6.690 1.00 0.00 O ATOM 400 CB THR A 28 -4.253 -7.452 -3.456 1.00 0.00 C ATOM 401 OG1 THR A 28 -3.422 -8.004 -2.426 1.00 0.00 O ATOM 402 CG2 THR A 28 -5.602 -8.157 -3.459 1.00 0.00 C ATOM 0 H THR A 28 -1.784 -7.404 -3.722 1.00 0.00 H new ATOM 0 HA THR A 28 -3.880 -8.529 -5.292 1.00 0.00 H new ATOM 0 HB THR A 28 -4.418 -6.391 -3.266 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.841 -7.303 -2.064 1.00 0.00 H new ATOM 0 HG21 THR A 28 -6.078 -8.037 -2.486 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.238 -7.722 -4.230 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.458 -9.218 -3.664 1.00 0.00 H new ATOM 410 N THR A 29 -3.443 -5.244 -5.347 1.00 0.00 N ATOM 411 CA THR A 29 -3.736 -4.035 -6.095 1.00 0.00 C ATOM 412 C THR A 29 -2.526 -3.623 -6.929 1.00 0.00 C ATOM 413 O THR A 29 -2.660 -3.175 -8.072 1.00 0.00 O ATOM 414 CB THR A 29 -4.116 -2.877 -5.148 1.00 0.00 C ATOM 415 OG1 THR A 29 -4.939 -3.370 -4.079 1.00 0.00 O ATOM 416 CG2 THR A 29 -4.853 -1.776 -5.899 1.00 0.00 C ATOM 0 H THR A 29 -2.835 -5.103 -4.540 1.00 0.00 H new ATOM 0 HA THR A 29 -4.580 -4.246 -6.752 1.00 0.00 H new ATOM 0 HB THR A 29 -3.198 -2.457 -4.737 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.319 -2.615 -3.584 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.109 -0.973 -5.208 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.214 -1.384 -6.690 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.765 -2.182 -6.337 1.00 0.00 H new ATOM 424 N GLY A 30 -1.343 -3.789 -6.349 1.00 0.00 N ATOM 425 CA GLY A 30 -0.121 -3.424 -7.038 1.00 0.00 C ATOM 426 C GLY A 30 0.541 -2.230 -6.392 1.00 0.00 C ATOM 427 O GLY A 30 1.099 -1.370 -7.074 1.00 0.00 O ATOM 0 H GLY A 30 -1.209 -4.170 -5.413 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.567 -4.269 -7.034 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.343 -3.199 -8.081 1.00 0.00 H new ATOM 431 N LEU A 31 0.488 -2.193 -5.070 1.00 0.00 N ATOM 432 CA LEU A 31 0.982 -1.052 -4.304 1.00 0.00 C ATOM 433 C LEU A 31 2.159 -1.464 -3.440 1.00 0.00 C ATOM 434 O LEU A 31 2.523 -2.633 -3.385 1.00 0.00 O ATOM 435 CB LEU A 31 -0.133 -0.476 -3.419 1.00 0.00 C ATOM 436 CG LEU A 31 -1.308 0.156 -4.173 1.00 0.00 C ATOM 437 CD1 LEU A 31 -2.347 0.677 -3.193 1.00 0.00 C ATOM 438 CD2 LEU A 31 -0.827 1.278 -5.084 1.00 0.00 C ATOM 0 H LEU A 31 0.105 -2.946 -4.498 1.00 0.00 H new ATOM 0 HA LEU A 31 1.308 -0.285 -5.007 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.518 -1.273 -2.783 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.301 0.276 -2.760 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.768 -0.613 -4.794 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.175 1.123 -3.744 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.718 -0.147 -2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.893 1.429 -2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.679 1.711 -5.609 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.339 2.048 -4.486 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.119 0.879 -5.810 1.00 0.00 H new ATOM 450 N TYR A 32 2.763 -0.493 -2.790 1.00 0.00 N ATOM 451 CA TYR A 32 3.824 -0.760 -1.840 1.00 0.00 C ATOM 452 C TYR A 32 3.463 -0.176 -0.489 1.00 0.00 C ATOM 453 O TYR A 32 3.153 0.999 -0.382 1.00 0.00 O ATOM 454 CB TYR A 32 5.145 -0.169 -2.332 1.00 0.00 C ATOM 455 CG TYR A 32 5.818 -0.997 -3.404 1.00 0.00 C ATOM 456 CD1 TYR A 32 6.697 -2.020 -3.067 1.00 0.00 C ATOM 457 CD2 TYR A 32 5.575 -0.759 -4.750 1.00 0.00 C ATOM 458 CE1 TYR A 32 7.312 -2.782 -4.043 1.00 0.00 C ATOM 459 CE2 TYR A 32 6.187 -1.517 -5.731 1.00 0.00 C ATOM 460 CZ TYR A 32 7.054 -2.526 -5.373 1.00 0.00 C ATOM 461 OH TYR A 32 7.664 -3.283 -6.350 1.00 0.00 O ATOM 0 H TYR A 32 2.536 0.495 -2.902 1.00 0.00 H new ATOM 0 HA TYR A 32 3.944 -1.839 -1.743 1.00 0.00 H new ATOM 0 HB2 TYR A 32 4.963 0.833 -2.720 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.824 -0.065 -1.486 1.00 0.00 H new ATOM 0 HD1 TYR A 32 6.903 -2.223 -2.026 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.897 0.031 -5.036 1.00 0.00 H new ATOM 0 HE1 TYR A 32 7.991 -3.574 -3.765 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.986 -1.319 -6.774 1.00 0.00 H new ATOM 0 HH TYR A 32 7.373 -2.973 -7.233 1.00 0.00 H new ATOM 471 N TYR A 33 3.493 -0.993 0.539 1.00 0.00 N ATOM 472 CA TYR A 33 3.202 -0.518 1.874 1.00 0.00 C ATOM 473 C TYR A 33 4.477 -0.059 2.557 1.00 0.00 C ATOM 474 O TYR A 33 5.465 -0.793 2.612 1.00 0.00 O ATOM 475 CB TYR A 33 2.514 -1.595 2.715 1.00 0.00 C ATOM 476 CG TYR A 33 2.287 -1.161 4.145 1.00 0.00 C ATOM 477 CD1 TYR A 33 3.032 -1.701 5.187 1.00 0.00 C ATOM 478 CD2 TYR A 33 1.347 -0.186 4.449 1.00 0.00 C ATOM 479 CE1 TYR A 33 2.844 -1.281 6.490 1.00 0.00 C ATOM 480 CE2 TYR A 33 1.150 0.234 5.748 1.00 0.00 C ATOM 481 CZ TYR A 33 1.900 -0.314 6.765 1.00 0.00 C ATOM 482 OH TYR A 33 1.714 0.116 8.059 1.00 0.00 O ATOM 0 H TYR A 33 3.715 -1.987 0.478 1.00 0.00 H new ATOM 0 HA TYR A 33 2.518 0.326 1.785 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.557 -1.849 2.260 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.121 -2.500 2.706 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.770 -2.461 4.975 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.760 0.251 3.655 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.433 -1.708 7.288 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.410 0.990 5.967 1.00 0.00 H new ATOM 0 HH TYR A 33 1.013 0.800 8.079 1.00 0.00 H new ATOM 492 N ASP A 34 4.439 1.160 3.058 1.00 0.00 N ATOM 493 CA ASP A 34 5.556 1.743 3.778 1.00 0.00 C ATOM 494 C ASP A 34 5.439 1.402 5.260 1.00 0.00 C ATOM 495 O ASP A 34 4.579 1.937 5.954 1.00 0.00 O ATOM 496 CB ASP A 34 5.553 3.265 3.575 1.00 0.00 C ATOM 497 CG ASP A 34 6.801 3.948 4.100 1.00 0.00 C ATOM 498 OD1 ASP A 34 7.183 4.995 3.541 1.00 0.00 O ATOM 499 OD2 ASP A 34 7.396 3.453 5.076 1.00 0.00 O ATOM 0 H ASP A 34 3.630 1.777 2.977 1.00 0.00 H new ATOM 0 HA ASP A 34 6.494 1.338 3.398 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.450 3.481 2.512 1.00 0.00 H new ATOM 0 HB3 ASP A 34 4.680 3.688 4.072 1.00 0.00 H new ATOM 504 N PRO A 35 6.286 0.488 5.758 1.00 0.00 N ATOM 505 CA PRO A 35 6.279 0.088 7.171 1.00 0.00 C ATOM 506 C PRO A 35 6.711 1.217 8.096 1.00 0.00 C ATOM 507 O PRO A 35 6.395 1.218 9.287 1.00 0.00 O ATOM 508 CB PRO A 35 7.299 -1.052 7.236 1.00 0.00 C ATOM 509 CG PRO A 35 8.153 -0.896 6.026 1.00 0.00 C ATOM 510 CD PRO A 35 7.301 -0.241 4.980 1.00 0.00 C ATOM 0 HA PRO A 35 5.278 -0.194 7.498 1.00 0.00 H new ATOM 0 HB2 PRO A 35 7.895 -0.993 8.147 1.00 0.00 H new ATOM 0 HB3 PRO A 35 6.802 -2.022 7.243 1.00 0.00 H new ATOM 0 HG2 PRO A 35 9.030 -0.288 6.247 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.515 -1.864 5.680 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.885 0.433 4.353 1.00 0.00 H new ATOM 0 HD3 PRO A 35 6.845 -0.977 4.318 1.00 0.00 H new ATOM 518 N ASN A 36 7.421 2.179 7.535 1.00 0.00 N ATOM 519 CA ASN A 36 8.000 3.256 8.314 1.00 0.00 C ATOM 520 C ASN A 36 7.019 4.414 8.440 1.00 0.00 C ATOM 521 O ASN A 36 6.846 4.985 9.516 1.00 0.00 O ATOM 522 CB ASN A 36 9.292 3.731 7.652 1.00 0.00 C ATOM 523 CG ASN A 36 10.168 4.526 8.593 1.00 0.00 C ATOM 524 OD1 ASN A 36 10.062 5.750 8.681 1.00 0.00 O ATOM 525 ND2 ASN A 36 11.043 3.831 9.303 1.00 0.00 N ATOM 0 H ASN A 36 7.611 2.235 6.534 1.00 0.00 H new ATOM 0 HA ASN A 36 8.223 2.886 9.315 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.848 2.867 7.286 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.048 4.343 6.784 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.665 4.309 9.956 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.096 2.818 9.197 1.00 0.00 H new ATOM 532 N SER A 37 6.374 4.752 7.335 1.00 0.00 N ATOM 533 CA SER A 37 5.423 5.857 7.313 1.00 0.00 C ATOM 534 C SER A 37 3.997 5.368 7.580 1.00 0.00 C ATOM 535 O SER A 37 3.106 6.155 7.905 1.00 0.00 O ATOM 536 CB SER A 37 5.490 6.576 5.966 1.00 0.00 C ATOM 537 OG SER A 37 6.837 6.821 5.591 1.00 0.00 O ATOM 0 H SER A 37 6.490 4.278 6.439 1.00 0.00 H new ATOM 0 HA SER A 37 5.693 6.553 8.107 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.999 5.973 5.202 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.947 7.519 6.025 1.00 0.00 H new ATOM 0 HG SER A 37 7.047 6.316 4.778 1.00 0.00 H new ATOM 543 N GLN A 38 3.805 4.053 7.442 1.00 0.00 N ATOM 544 CA GLN A 38 2.510 3.398 7.653 1.00 0.00 C ATOM 545 C GLN A 38 1.462 3.882 6.652 1.00 0.00 C ATOM 546 O GLN A 38 0.277 4.001 6.972 1.00 0.00 O ATOM 547 CB GLN A 38 2.030 3.576 9.098 1.00 0.00 C ATOM 548 CG GLN A 38 2.889 2.830 10.107 1.00 0.00 C ATOM 549 CD GLN A 38 2.374 2.961 11.526 1.00 0.00 C ATOM 550 OE1 GLN A 38 2.745 3.882 12.252 1.00 0.00 O ATOM 551 NE2 GLN A 38 1.528 2.029 11.938 1.00 0.00 N ATOM 0 H GLN A 38 4.550 3.408 7.179 1.00 0.00 H new ATOM 0 HA GLN A 38 2.651 2.331 7.479 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.028 4.637 9.346 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.000 3.228 9.178 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.928 1.775 9.835 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.910 3.209 10.059 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.245 1.281 11.305 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.160 2.059 12.889 1.00 0.00 H new ATOM 560 N TYR A 39 1.911 4.129 5.430 1.00 0.00 N ATOM 561 CA TYR A 39 1.033 4.519 4.337 1.00 0.00 C ATOM 562 C TYR A 39 1.341 3.672 3.113 1.00 0.00 C ATOM 563 O TYR A 39 2.328 2.943 3.092 1.00 0.00 O ATOM 564 CB TYR A 39 1.198 6.006 4.006 1.00 0.00 C ATOM 565 CG TYR A 39 0.539 6.925 5.006 1.00 0.00 C ATOM 566 CD1 TYR A 39 -0.843 6.954 5.133 1.00 0.00 C ATOM 567 CD2 TYR A 39 1.292 7.763 5.817 1.00 0.00 C ATOM 568 CE1 TYR A 39 -1.457 7.792 6.039 1.00 0.00 C ATOM 569 CE2 TYR A 39 0.684 8.607 6.729 1.00 0.00 C ATOM 570 CZ TYR A 39 -0.691 8.616 6.836 1.00 0.00 C ATOM 571 OH TYR A 39 -1.307 9.447 7.743 1.00 0.00 O ATOM 0 H TYR A 39 2.895 4.065 5.168 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.000 4.355 4.643 1.00 0.00 H new ATOM 0 HB2 TYR A 39 2.261 6.242 3.954 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.780 6.198 3.018 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.447 6.309 4.512 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.369 7.756 5.735 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.534 7.803 6.124 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.282 9.255 7.353 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.629 9.962 8.228 1.00 0.00 H new ATOM 581 N TYR A 40 0.492 3.757 2.105 1.00 0.00 N ATOM 582 CA TYR A 40 0.693 3.002 0.879 1.00 0.00 C ATOM 583 C TYR A 40 1.353 3.869 -0.177 1.00 0.00 C ATOM 584 O TYR A 40 1.167 5.081 -0.203 1.00 0.00 O ATOM 585 CB TYR A 40 -0.633 2.450 0.359 1.00 0.00 C ATOM 586 CG TYR A 40 -1.219 1.393 1.258 1.00 0.00 C ATOM 587 CD1 TYR A 40 -2.219 1.701 2.170 1.00 0.00 C ATOM 588 CD2 TYR A 40 -0.755 0.089 1.205 1.00 0.00 C ATOM 589 CE1 TYR A 40 -2.739 0.735 3.008 1.00 0.00 C ATOM 590 CE2 TYR A 40 -1.270 -0.884 2.033 1.00 0.00 C ATOM 591 CZ TYR A 40 -2.263 -0.557 2.934 1.00 0.00 C ATOM 592 OH TYR A 40 -2.770 -1.520 3.778 1.00 0.00 O ATOM 0 H TYR A 40 -0.344 4.341 2.110 1.00 0.00 H new ATOM 0 HA TYR A 40 1.351 2.162 1.101 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.346 3.268 0.255 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.482 2.031 -0.636 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.596 2.712 2.225 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.024 -0.169 0.503 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.513 0.989 3.717 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.899 -1.897 1.977 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.330 -2.377 3.598 1.00 0.00 H new ATOM 602 N TYR A 41 2.123 3.238 -1.038 1.00 0.00 N ATOM 603 CA TYR A 41 2.850 3.930 -2.074 1.00 0.00 C ATOM 604 C TYR A 41 2.395 3.436 -3.430 1.00 0.00 C ATOM 605 O TYR A 41 2.463 2.241 -3.724 1.00 0.00 O ATOM 606 CB TYR A 41 4.358 3.707 -1.915 1.00 0.00 C ATOM 607 CG TYR A 41 5.180 4.302 -3.036 1.00 0.00 C ATOM 608 CD1 TYR A 41 5.951 3.491 -3.858 1.00 0.00 C ATOM 609 CD2 TYR A 41 5.174 5.670 -3.282 1.00 0.00 C ATOM 610 CE1 TYR A 41 6.692 4.024 -4.893 1.00 0.00 C ATOM 611 CE2 TYR A 41 5.914 6.211 -4.315 1.00 0.00 C ATOM 612 CZ TYR A 41 6.671 5.383 -5.117 1.00 0.00 C ATOM 613 OH TYR A 41 7.403 5.912 -6.152 1.00 0.00 O ATOM 0 H TYR A 41 2.261 2.227 -1.037 1.00 0.00 H new ATOM 0 HA TYR A 41 2.649 4.998 -1.991 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.683 4.139 -0.969 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.555 2.636 -1.860 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.971 2.425 -3.684 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.581 6.320 -2.655 1.00 0.00 H new ATOM 0 HE1 TYR A 41 7.285 3.379 -5.524 1.00 0.00 H new ATOM 0 HE2 TYR A 41 5.900 7.276 -4.494 1.00 0.00 H new ATOM 0 HH TYR A 41 7.280 6.884 -6.176 1.00 0.00 H new ATOM 623 N ASN A 42 1.902 4.350 -4.235 1.00 0.00 N ATOM 624 CA ASN A 42 1.541 4.034 -5.600 1.00 0.00 C ATOM 625 C ASN A 42 2.791 4.074 -6.462 1.00 0.00 C ATOM 626 O ASN A 42 3.338 5.143 -6.717 1.00 0.00 O ATOM 627 CB ASN A 42 0.498 5.025 -6.121 1.00 0.00 C ATOM 628 CG ASN A 42 -0.116 4.589 -7.436 1.00 0.00 C ATOM 629 OD1 ASN A 42 0.524 3.925 -8.251 1.00 0.00 O ATOM 630 ND2 ASN A 42 -1.360 4.973 -7.655 1.00 0.00 N ATOM 0 H ASN A 42 1.741 5.321 -3.968 1.00 0.00 H new ATOM 0 HA ASN A 42 1.104 3.036 -5.640 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.290 5.141 -5.377 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.963 6.003 -6.248 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.826 4.720 -8.526 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.855 5.523 -6.953 1.00 0.00 H new ATOM 637 N SER A 43 3.242 2.911 -6.898 1.00 0.00 N ATOM 638 CA SER A 43 4.473 2.798 -7.665 1.00 0.00 C ATOM 639 C SER A 43 4.298 3.310 -9.094 1.00 0.00 C ATOM 640 O SER A 43 5.276 3.520 -9.816 1.00 0.00 O ATOM 641 CB SER A 43 4.923 1.341 -7.662 1.00 0.00 C ATOM 642 OG SER A 43 3.798 0.478 -7.622 1.00 0.00 O ATOM 0 H SER A 43 2.769 2.022 -6.732 1.00 0.00 H new ATOM 0 HA SER A 43 5.237 3.421 -7.199 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.516 1.135 -8.553 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.565 1.153 -6.801 1.00 0.00 H new ATOM 0 HG SER A 43 3.883 -0.135 -6.862 1.00 0.00 H new ATOM 648 N LEU A 44 3.055 3.519 -9.500 1.00 0.00 N ATOM 649 CA LEU A 44 2.766 3.991 -10.841 1.00 0.00 C ATOM 650 C LEU A 44 2.718 5.517 -10.889 1.00 0.00 C ATOM 651 O LEU A 44 3.297 6.138 -11.779 1.00 0.00 O ATOM 652 CB LEU A 44 1.438 3.402 -11.321 1.00 0.00 C ATOM 653 CG LEU A 44 1.058 3.738 -12.762 1.00 0.00 C ATOM 654 CD1 LEU A 44 2.073 3.152 -13.732 1.00 0.00 C ATOM 655 CD2 LEU A 44 -0.341 3.229 -13.077 1.00 0.00 C ATOM 0 H LEU A 44 2.231 3.368 -8.918 1.00 0.00 H new ATOM 0 HA LEU A 44 3.566 3.661 -11.503 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.482 2.318 -11.218 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.644 3.753 -10.662 1.00 0.00 H new ATOM 0 HG LEU A 44 1.062 4.822 -12.876 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.786 3.401 -14.754 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.059 3.566 -13.521 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.102 2.068 -13.618 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.595 3.477 -14.108 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.373 2.147 -12.946 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.059 3.697 -12.404 1.00 0.00 H new ATOM 667 N THR A 45 2.038 6.118 -9.924 1.00 0.00 N ATOM 668 CA THR A 45 1.845 7.563 -9.911 1.00 0.00 C ATOM 669 C THR A 45 2.838 8.248 -8.972 1.00 0.00 C ATOM 670 O THR A 45 3.010 9.468 -9.006 1.00 0.00 O ATOM 671 CB THR A 45 0.405 7.915 -9.493 1.00 0.00 C ATOM 672 OG1 THR A 45 -0.510 7.053 -10.179 1.00 0.00 O ATOM 673 CG2 THR A 45 0.076 9.365 -9.824 1.00 0.00 C ATOM 0 H THR A 45 1.610 5.628 -9.138 1.00 0.00 H new ATOM 0 HA THR A 45 2.022 7.926 -10.923 1.00 0.00 H new ATOM 0 HB THR A 45 0.316 7.780 -8.415 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.428 7.273 -9.914 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.947 9.585 -9.518 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.763 10.024 -9.294 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.176 9.525 -10.898 1.00 0.00 H new ATOM 681 N GLN A 46 3.499 7.435 -8.146 1.00 0.00 N ATOM 682 CA GLN A 46 4.491 7.912 -7.184 1.00 0.00 C ATOM 683 C GLN A 46 3.845 8.830 -6.150 1.00 0.00 C ATOM 684 O GLN A 46 4.170 10.011 -6.057 1.00 0.00 O ATOM 685 CB GLN A 46 5.645 8.614 -7.903 1.00 0.00 C ATOM 686 CG GLN A 46 6.331 7.732 -8.929 1.00 0.00 C ATOM 687 CD GLN A 46 7.410 8.465 -9.696 1.00 0.00 C ATOM 688 OE1 GLN A 46 8.567 8.507 -9.277 1.00 0.00 O ATOM 689 NE2 GLN A 46 7.046 9.042 -10.829 1.00 0.00 N ATOM 0 H GLN A 46 3.360 6.425 -8.126 1.00 0.00 H new ATOM 0 HA GLN A 46 4.899 7.051 -6.655 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.267 9.509 -8.397 1.00 0.00 H new ATOM 0 HB3 GLN A 46 6.378 8.942 -7.166 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.769 6.870 -8.427 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.588 7.350 -9.629 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.077 8.985 -11.142 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.734 9.544 -11.390 1.00 0.00 H new ATOM 698 N GLN A 47 2.931 8.268 -5.373 1.00 0.00 N ATOM 699 CA GLN A 47 2.182 9.035 -4.386 1.00 0.00 C ATOM 700 C GLN A 47 1.886 8.172 -3.167 1.00 0.00 C ATOM 701 O GLN A 47 1.972 6.944 -3.235 1.00 0.00 O ATOM 702 CB GLN A 47 0.871 9.532 -5.000 1.00 0.00 C ATOM 703 CG GLN A 47 -0.089 8.409 -5.366 1.00 0.00 C ATOM 704 CD GLN A 47 -1.344 8.889 -6.066 1.00 0.00 C ATOM 705 OE1 GLN A 47 -1.922 8.171 -6.882 1.00 0.00 O ATOM 706 NE2 GLN A 47 -1.776 10.101 -5.756 1.00 0.00 N ATOM 0 H GLN A 47 2.688 7.278 -5.407 1.00 0.00 H new ATOM 0 HA GLN A 47 2.781 9.892 -4.076 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.381 10.204 -4.296 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.095 10.114 -5.894 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.427 7.697 -6.010 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.371 7.873 -4.460 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.268 10.665 -5.074 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -2.617 10.471 -6.199 1.00 0.00 H new ATOM 715 N TYR A 48 1.532 8.810 -2.061 1.00 0.00 N ATOM 716 CA TYR A 48 1.201 8.092 -0.839 1.00 0.00 C ATOM 717 C TYR A 48 -0.298 8.058 -0.624 1.00 0.00 C ATOM 718 O TYR A 48 -0.993 9.063 -0.797 1.00 0.00 O ATOM 719 CB TYR A 48 1.886 8.711 0.375 1.00 0.00 C ATOM 720 CG TYR A 48 3.271 8.169 0.630 1.00 0.00 C ATOM 721 CD1 TYR A 48 4.271 8.260 -0.332 1.00 0.00 C ATOM 722 CD2 TYR A 48 3.576 7.563 1.840 1.00 0.00 C ATOM 723 CE1 TYR A 48 5.537 7.759 -0.088 1.00 0.00 C ATOM 724 CE2 TYR A 48 4.835 7.059 2.090 1.00 0.00 C ATOM 725 CZ TYR A 48 5.813 7.158 1.125 1.00 0.00 C ATOM 726 OH TYR A 48 7.074 6.668 1.376 1.00 0.00 O ATOM 0 H TYR A 48 1.467 9.825 -1.985 1.00 0.00 H new ATOM 0 HA TYR A 48 1.566 7.071 -0.953 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.947 9.790 0.236 1.00 0.00 H new ATOM 0 HB3 TYR A 48 1.269 8.538 1.257 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.056 8.728 -1.282 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.813 7.484 2.600 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.306 7.837 -0.842 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.053 6.589 3.038 1.00 0.00 H new ATOM 0 HH TYR A 48 7.040 6.050 2.136 1.00 0.00 H new ATOM 736 N LEU A 49 -0.775 6.902 -0.220 1.00 0.00 N ATOM 737 CA LEU A 49 -2.201 6.641 -0.129 1.00 0.00 C ATOM 738 C LEU A 49 -2.546 5.976 1.195 1.00 0.00 C ATOM 739 O LEU A 49 -1.664 5.489 1.905 1.00 0.00 O ATOM 740 CB LEU A 49 -2.625 5.729 -1.283 1.00 0.00 C ATOM 741 CG LEU A 49 -2.322 6.271 -2.681 1.00 0.00 C ATOM 742 CD1 LEU A 49 -2.279 5.143 -3.692 1.00 0.00 C ATOM 743 CD2 LEU A 49 -3.364 7.297 -3.087 1.00 0.00 C ATOM 0 H LEU A 49 -0.189 6.114 0.055 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.733 7.591 -0.189 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.127 4.766 -1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.697 5.545 -1.206 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.345 6.753 -2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.062 5.548 -4.680 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.501 4.433 -3.412 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.243 4.635 -3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.135 7.673 -4.084 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.350 6.832 -3.092 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.357 8.124 -2.377 1.00 0.00 H new ATOM 755 N TYR A 50 -3.825 5.962 1.517 1.00 0.00 N ATOM 756 CA TYR A 50 -4.315 5.248 2.682 1.00 0.00 C ATOM 757 C TYR A 50 -5.669 4.643 2.353 1.00 0.00 C ATOM 758 O TYR A 50 -6.404 5.169 1.515 1.00 0.00 O ATOM 759 CB TYR A 50 -4.409 6.176 3.907 1.00 0.00 C ATOM 760 CG TYR A 50 -5.494 7.233 3.826 1.00 0.00 C ATOM 761 CD1 TYR A 50 -5.291 8.420 3.134 1.00 0.00 C ATOM 762 CD2 TYR A 50 -6.719 7.044 4.454 1.00 0.00 C ATOM 763 CE1 TYR A 50 -6.277 9.386 3.065 1.00 0.00 C ATOM 764 CE2 TYR A 50 -7.711 8.004 4.390 1.00 0.00 C ATOM 765 CZ TYR A 50 -7.484 9.173 3.694 1.00 0.00 C ATOM 766 OH TYR A 50 -8.469 10.133 3.621 1.00 0.00 O ATOM 0 H TYR A 50 -4.550 6.441 0.983 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.614 4.454 2.937 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.582 5.566 4.794 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.448 6.672 4.043 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.346 8.591 2.641 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.899 6.131 5.002 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.102 10.303 2.521 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -8.658 7.840 4.882 1.00 0.00 H new ATOM 0 HH TYR A 50 -9.259 9.830 4.116 1.00 0.00 H new ATOM 776 N TRP A 51 -5.987 3.528 2.982 1.00 0.00 N ATOM 777 CA TRP A 51 -7.245 2.856 2.716 1.00 0.00 C ATOM 778 C TRP A 51 -8.344 3.412 3.604 1.00 0.00 C ATOM 779 O TRP A 51 -8.249 3.366 4.833 1.00 0.00 O ATOM 780 CB TRP A 51 -7.113 1.345 2.927 1.00 0.00 C ATOM 781 CG TRP A 51 -8.422 0.616 2.838 1.00 0.00 C ATOM 782 CD1 TRP A 51 -9.226 0.259 3.881 1.00 0.00 C ATOM 783 CD2 TRP A 51 -9.082 0.157 1.648 1.00 0.00 C ATOM 784 NE1 TRP A 51 -10.348 -0.380 3.418 1.00 0.00 N ATOM 785 CE2 TRP A 51 -10.283 -0.459 2.052 1.00 0.00 C ATOM 786 CE3 TRP A 51 -8.781 0.206 0.284 1.00 0.00 C ATOM 787 CZ2 TRP A 51 -11.179 -1.017 1.146 1.00 0.00 C ATOM 788 CZ3 TRP A 51 -9.674 -0.352 -0.617 1.00 0.00 C ATOM 789 CH2 TRP A 51 -10.860 -0.955 -0.179 1.00 0.00 C ATOM 0 H TRP A 51 -5.396 3.070 3.676 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.509 3.037 1.674 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -6.428 0.940 2.182 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -6.667 1.159 3.904 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -9.010 0.452 4.921 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -11.108 -0.738 3.997 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -7.869 0.670 -0.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -12.095 -1.483 1.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -9.452 -0.321 -1.673 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -11.536 -1.380 -0.906 1.00 0.00 H new ATOM 800 N ASP A 52 -9.383 3.943 2.984 1.00 0.00 N ATOM 801 CA ASP A 52 -10.537 4.405 3.731 1.00 0.00 C ATOM 802 C ASP A 52 -11.659 3.380 3.627 1.00 0.00 C ATOM 803 O ASP A 52 -12.081 3.018 2.526 1.00 0.00 O ATOM 804 CB ASP A 52 -11.014 5.771 3.239 1.00 0.00 C ATOM 805 CG ASP A 52 -12.161 6.288 4.085 1.00 0.00 C ATOM 806 OD1 ASP A 52 -13.310 5.863 3.855 1.00 0.00 O ATOM 807 OD2 ASP A 52 -11.916 7.106 4.997 1.00 0.00 O ATOM 0 H ASP A 52 -9.451 4.064 1.973 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.245 4.518 4.775 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.187 6.481 3.270 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.331 5.696 2.199 1.00 0.00 H new ATOM 812 N GLY A 53 -12.134 2.920 4.780 1.00 0.00 N ATOM 813 CA GLY A 53 -13.109 1.843 4.827 1.00 0.00 C ATOM 814 C GLY A 53 -14.465 2.207 4.244 1.00 0.00 C ATOM 815 O GLY A 53 -15.253 1.321 3.910 1.00 0.00 O ATOM 0 H GLY A 53 -11.857 3.279 5.694 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.712 0.984 4.286 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.242 1.533 5.863 1.00 0.00 H new ATOM 819 N GLU A 54 -14.748 3.496 4.121 1.00 0.00 N ATOM 820 CA GLU A 54 -16.026 3.935 3.582 1.00 0.00 C ATOM 821 C GLU A 54 -15.900 4.241 2.099 1.00 0.00 C ATOM 822 O GLU A 54 -16.774 3.889 1.303 1.00 0.00 O ATOM 823 CB GLU A 54 -16.535 5.169 4.329 1.00 0.00 C ATOM 824 CG GLU A 54 -17.884 5.661 3.832 1.00 0.00 C ATOM 825 CD GLU A 54 -18.454 6.763 4.691 1.00 0.00 C ATOM 826 OE1 GLU A 54 -17.945 7.902 4.624 1.00 0.00 O ATOM 827 OE2 GLU A 54 -19.421 6.499 5.435 1.00 0.00 O ATOM 0 H GLU A 54 -14.115 4.251 4.385 1.00 0.00 H new ATOM 0 HA GLU A 54 -16.745 3.127 3.716 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -16.610 4.936 5.391 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -15.805 5.972 4.230 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -17.780 6.021 2.808 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -18.584 4.826 3.807 1.00 0.00 H new ATOM 834 N LYS A 55 -14.802 4.886 1.730 1.00 0.00 N ATOM 835 CA LYS A 55 -14.579 5.287 0.349 1.00 0.00 C ATOM 836 C LYS A 55 -14.228 4.082 -0.519 1.00 0.00 C ATOM 837 O LYS A 55 -14.322 4.135 -1.744 1.00 0.00 O ATOM 838 CB LYS A 55 -13.467 6.340 0.269 1.00 0.00 C ATOM 839 CG LYS A 55 -13.660 7.502 1.232 1.00 0.00 C ATOM 840 CD LYS A 55 -14.909 8.300 0.911 1.00 0.00 C ATOM 841 CE LYS A 55 -14.657 9.292 -0.208 1.00 0.00 C ATOM 842 NZ LYS A 55 -13.746 10.386 0.219 1.00 0.00 N ATOM 0 H LYS A 55 -14.050 5.143 2.370 1.00 0.00 H new ATOM 0 HA LYS A 55 -15.503 5.723 -0.029 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.510 5.862 0.476 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.416 6.727 -0.749 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -13.724 7.122 2.252 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.790 8.157 1.190 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -15.713 7.622 0.624 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -15.243 8.831 1.802 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.225 8.773 -1.064 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.605 9.716 -0.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.883 11.212 -0.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.957 10.650 1.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.760 10.063 0.151 1.00 0.00 H new ATOM 856 N GLU A 56 -13.817 3.000 0.154 1.00 0.00 N ATOM 857 CA GLU A 56 -13.517 1.720 -0.489 1.00 0.00 C ATOM 858 C GLU A 56 -12.449 1.875 -1.561 1.00 0.00 C ATOM 859 O GLU A 56 -12.496 1.230 -2.611 1.00 0.00 O ATOM 860 CB GLU A 56 -14.791 1.100 -1.072 1.00 0.00 C ATOM 861 CG GLU A 56 -15.780 0.659 -0.005 1.00 0.00 C ATOM 862 CD GLU A 56 -17.115 0.235 -0.579 1.00 0.00 C ATOM 863 OE1 GLU A 56 -17.311 -0.976 -0.823 1.00 0.00 O ATOM 864 OE2 GLU A 56 -17.980 1.113 -0.788 1.00 0.00 O ATOM 0 H GLU A 56 -13.683 2.991 1.165 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.123 1.046 0.272 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.273 1.824 -1.729 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.522 0.241 -1.687 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.353 -0.170 0.559 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.936 1.476 0.699 1.00 0.00 H new ATOM 871 N THR A 57 -11.473 2.724 -1.280 1.00 0.00 N ATOM 872 CA THR A 57 -10.410 2.997 -2.223 1.00 0.00 C ATOM 873 C THR A 57 -9.198 3.556 -1.489 1.00 0.00 C ATOM 874 O THR A 57 -9.298 3.976 -0.329 1.00 0.00 O ATOM 875 CB THR A 57 -10.874 3.998 -3.314 1.00 0.00 C ATOM 876 OG1 THR A 57 -9.862 4.154 -4.321 1.00 0.00 O ATOM 877 CG2 THR A 57 -11.207 5.357 -2.711 1.00 0.00 C ATOM 0 H THR A 57 -11.399 3.236 -0.401 1.00 0.00 H new ATOM 0 HA THR A 57 -10.140 2.061 -2.712 1.00 0.00 H new ATOM 0 HB THR A 57 -11.776 3.590 -3.771 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.172 4.787 -5.001 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.529 6.036 -3.500 1.00 0.00 H new ATOM 0 HG22 THR A 57 -12.008 5.244 -1.980 1.00 0.00 H new ATOM 0 HG23 THR A 57 -10.323 5.764 -2.220 1.00 0.00 H new ATOM 885 N TYR A 58 -8.055 3.527 -2.155 1.00 0.00 N ATOM 886 CA TYR A 58 -6.846 4.107 -1.610 1.00 0.00 C ATOM 887 C TYR A 58 -6.790 5.572 -1.987 1.00 0.00 C ATOM 888 O TYR A 58 -6.593 5.924 -3.150 1.00 0.00 O ATOM 889 CB TYR A 58 -5.605 3.378 -2.124 1.00 0.00 C ATOM 890 CG TYR A 58 -5.611 1.890 -1.845 1.00 0.00 C ATOM 891 CD1 TYR A 58 -6.135 0.993 -2.767 1.00 0.00 C ATOM 892 CD2 TYR A 58 -5.092 1.384 -0.660 1.00 0.00 C ATOM 893 CE1 TYR A 58 -6.144 -0.366 -2.516 1.00 0.00 C ATOM 894 CE2 TYR A 58 -5.096 0.025 -0.403 1.00 0.00 C ATOM 895 CZ TYR A 58 -5.623 -0.844 -1.334 1.00 0.00 C ATOM 896 OH TYR A 58 -5.631 -2.196 -1.082 1.00 0.00 O ATOM 0 H TYR A 58 -7.943 3.105 -3.077 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.862 4.005 -0.525 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.521 3.536 -3.199 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -4.720 3.820 -1.667 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -6.542 1.364 -3.696 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.679 2.062 0.072 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.557 -1.050 -3.243 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -4.688 -0.353 0.523 1.00 0.00 H new ATOM 0 HH TYR A 58 -4.711 -2.511 -0.959 1.00 0.00 H new ATOM 906 N VAL A 59 -6.987 6.415 -0.999 1.00 0.00 N ATOM 907 CA VAL A 59 -7.054 7.848 -1.203 1.00 0.00 C ATOM 908 C VAL A 59 -5.738 8.502 -0.794 1.00 0.00 C ATOM 909 O VAL A 59 -5.089 8.063 0.153 1.00 0.00 O ATOM 910 CB VAL A 59 -8.239 8.463 -0.420 1.00 0.00 C ATOM 911 CG1 VAL A 59 -9.502 8.442 -1.270 1.00 0.00 C ATOM 912 CG2 VAL A 59 -8.482 7.706 0.879 1.00 0.00 C ATOM 0 H VAL A 59 -7.106 6.127 -0.028 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.220 8.037 -2.264 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.985 9.495 -0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.327 8.878 -0.706 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -9.338 9.020 -2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.746 7.413 -1.534 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.319 8.157 1.412 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.713 6.664 0.655 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.588 7.754 1.501 1.00 0.00 H new ATOM 922 N PRO A 60 -5.307 9.529 -1.539 1.00 0.00 N ATOM 923 CA PRO A 60 -4.012 10.176 -1.326 1.00 0.00 C ATOM 924 C PRO A 60 -3.912 10.885 0.018 1.00 0.00 C ATOM 925 O PRO A 60 -4.700 11.777 0.331 1.00 0.00 O ATOM 926 CB PRO A 60 -3.910 11.190 -2.470 1.00 0.00 C ATOM 927 CG PRO A 60 -4.949 10.778 -3.457 1.00 0.00 C ATOM 928 CD PRO A 60 -6.038 10.132 -2.657 1.00 0.00 C ATOM 0 HA PRO A 60 -3.206 9.442 -1.316 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.087 12.204 -2.113 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.916 11.179 -2.918 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.327 11.638 -4.009 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.538 10.084 -4.190 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.773 10.860 -2.314 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.577 9.384 -3.238 1.00 0.00 H new ATOM 936 N ALA A 61 -2.922 10.483 0.795 1.00 0.00 N ATOM 937 CA ALA A 61 -2.673 11.081 2.102 1.00 0.00 C ATOM 938 C ALA A 61 -1.578 12.134 2.007 1.00 0.00 C ATOM 939 O ALA A 61 -1.615 13.155 2.698 1.00 0.00 O ATOM 940 CB ALA A 61 -2.281 10.010 3.108 1.00 0.00 C ATOM 0 H ALA A 61 -2.271 9.739 0.544 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.591 11.562 2.440 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.098 10.472 4.078 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -3.088 9.283 3.198 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.375 9.507 2.769 1.00 0.00 H new ATOM 946 N ALA A 62 -0.606 11.878 1.146 1.00 0.00 N ATOM 947 CA ALA A 62 0.507 12.791 0.962 1.00 0.00 C ATOM 948 C ALA A 62 0.643 13.175 -0.502 1.00 0.00 C ATOM 949 O ALA A 62 1.165 12.405 -1.314 1.00 0.00 O ATOM 950 CB ALA A 62 1.793 12.164 1.475 1.00 0.00 C ATOM 0 H ALA A 62 -0.567 11.042 0.563 1.00 0.00 H new ATOM 0 HA ALA A 62 0.313 13.697 1.535 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.620 12.860 1.331 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.690 11.938 2.536 1.00 0.00 H new ATOM 0 HB3 ALA A 62 1.993 11.244 0.926 1.00 0.00 H new ATOM 956 N GLU A 63 0.142 14.352 -0.835 1.00 0.00 N ATOM 957 CA GLU A 63 0.226 14.869 -2.188 1.00 0.00 C ATOM 958 C GLU A 63 1.186 16.048 -2.237 1.00 0.00 C ATOM 959 O GLU A 63 1.212 16.874 -1.323 1.00 0.00 O ATOM 960 CB GLU A 63 -1.157 15.297 -2.685 1.00 0.00 C ATOM 961 CG GLU A 63 -2.183 14.177 -2.664 1.00 0.00 C ATOM 962 CD GLU A 63 -3.463 14.543 -3.383 1.00 0.00 C ATOM 963 OE1 GLU A 63 -3.432 14.651 -4.627 1.00 0.00 O ATOM 964 OE2 GLU A 63 -4.508 14.702 -2.717 1.00 0.00 O ATOM 0 H GLU A 63 -0.332 14.972 -0.179 1.00 0.00 H new ATOM 0 HA GLU A 63 0.600 14.079 -2.839 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.517 16.120 -2.068 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.067 15.677 -3.703 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.753 13.288 -3.126 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.413 13.920 -1.630 1.00 0.00 H new ATOM 971 N SER A 64 1.974 16.121 -3.296 1.00 0.00 N ATOM 972 CA SER A 64 2.941 17.194 -3.453 1.00 0.00 C ATOM 973 C SER A 64 3.182 17.489 -4.931 1.00 0.00 C ATOM 974 O SER A 64 4.208 17.041 -5.479 1.00 0.00 O ATOM 975 CB SER A 64 4.251 16.838 -2.736 1.00 0.00 C ATOM 976 OG SER A 64 4.650 15.502 -3.012 1.00 0.00 O ATOM 977 OXT SER A 64 2.329 18.164 -5.545 1.00 0.00 O ATOM 0 H SER A 64 1.963 15.448 -4.062 1.00 0.00 H new ATOM 0 HA SER A 64 2.539 18.098 -2.996 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.037 17.525 -3.049 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.125 16.966 -1.661 1.00 0.00 H new ATOM 0 HG SER A 64 4.710 15.372 -3.982 1.00 0.00 H new TER 983 SER A 64