USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 304 hydrogens (7 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 NoAdj-H: A 3 HYP H : A 3 HYP N : A 2 VAL C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 151:sc= 0.448 (180deg=-0.106) USER MOD Single : A 3 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -52:sc= 0.546 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HE2:sc= -0.511 K(o=-0.51,f=-1.4) USER MOD Single : A 16 ASN : amide:sc= -0.0515 K(o=-0.051,f=-1.6!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0161 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 120:sc= 0.446 USER MOD Single : A 26 SER OG : rot 66:sc= 1.15 USER MOD Single : A 29 SER OG : rot 180:sc= 0.143 USER MOD Single : A 32 HIS : no HD1:sc= -0.323 X(o=-0.32,f=-0.067) USER MOD Single : A 33 LYS NZ :NH3+ -146:sc= -0.397! (180deg=-2.44!) USER MOD Single : A 35 ASN :FLIP amide:sc= -0.311 F(o=-3!,f=-0.31) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.0251 K(o=-0.025,f=-6.3!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -143:sc= 0.967 (180deg=-1.22) USER MOD Single : A 47 GLN : amide:sc= -0.224 K(o=-0.22,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.489 33.051 33.369 1.00 0.00 N ATOM 2 CA GLY A 1 25.672 31.789 34.115 1.00 0.00 C ATOM 3 C GLY A 1 27.142 31.519 34.305 1.00 0.00 C ATOM 4 O GLY A 1 27.945 32.445 34.287 1.00 0.00 O ATOM 0 H1 GLY A 1 24.604 33.007 32.825 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.445 33.846 34.038 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.289 33.189 32.719 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.176 31.853 35.084 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.208 30.965 33.573 1.00 0.00 H new ATOM 8 N VAL A 2 27.472 30.249 34.503 1.00 0.00 N ATOM 9 CA VAL A 2 28.834 29.738 34.716 1.00 0.00 C ATOM 10 C VAL A 2 29.444 29.302 33.386 1.00 0.00 C ATOM 11 O VAL A 2 28.715 28.775 32.541 1.00 0.00 O ATOM 12 CB VAL A 2 28.760 28.412 35.450 1.00 0.00 C ATOM 13 CG1 VAL A 2 30.032 27.668 35.845 1.00 0.00 C ATOM 14 CG2 VAL A 2 27.774 28.329 36.568 1.00 0.00 C ATOM 0 H VAL A 2 26.771 29.508 34.522 1.00 0.00 H new ATOM 0 HA VAL A 2 29.390 30.522 35.230 1.00 0.00 H new ATOM 0 HB VAL A 2 28.392 27.865 34.582 1.00 0.00 H new ATOM 0 HG11 VAL A 2 29.768 26.744 36.359 1.00 0.00 H new ATOM 0 HG12 VAL A 2 30.609 27.433 34.950 1.00 0.00 H new ATOM 0 HG13 VAL A 2 30.629 28.294 36.508 1.00 0.00 H new ATOM 0 HG21 VAL A 2 27.813 27.335 37.015 1.00 0.00 H new ATOM 0 HG22 VAL A 2 28.017 29.076 37.323 1.00 0.00 H new ATOM 0 HG23 VAL A 2 26.771 28.515 36.183 1.00 0.00 H new HETATM 24 N HYP A 3 30.761 29.339 33.209 1.00 0.00 N HETATM 25 CA HYP A 3 31.383 28.866 31.983 1.00 0.00 C HETATM 26 C HYP A 3 31.246 27.359 31.795 1.00 0.00 C HETATM 27 O HYP A 3 31.651 26.579 32.660 1.00 0.00 O HETATM 28 CB HYP A 3 32.860 29.254 32.132 1.00 0.00 C HETATM 29 CG HYP A 3 32.885 30.387 33.156 1.00 0.00 C HETATM 30 CD HYP A 3 31.729 29.974 34.083 1.00 0.00 C HETATM 31 OD1 HYP A 3 32.585 31.605 32.517 1.00 0.00 O HETATM 0 HD23 HYP A 3 31.299 30.839 34.588 1.00 0.00 H new HETATM 0 HD22 HYP A 3 32.070 29.289 34.859 1.00 0.00 H new HETATM 0 HG HYP A 3 33.839 30.528 33.664 1.00 0.00 H new HETATM 0 HD1 HYP A 3 32.599 32.332 33.174 1.00 0.00 H new HETATM 0 HB3 HYP A 3 33.456 28.406 32.470 1.00 0.00 H new HETATM 0 HB2 HYP A 3 33.279 29.578 31.179 1.00 0.00 H new HETATM 0 HA HYP A 3 30.906 29.306 31.107 1.00 0.00 H new ATOM 39 N CYS A 4 30.689 26.925 30.669 1.00 0.00 N ATOM 40 CA CYS A 4 30.565 25.509 30.354 1.00 0.00 C ATOM 41 C CYS A 4 30.631 25.211 28.843 1.00 0.00 C ATOM 42 O CYS A 4 30.002 25.897 28.040 1.00 0.00 O ATOM 43 CB CYS A 4 29.295 24.959 30.974 1.00 0.00 C ATOM 44 SG CYS A 4 29.186 23.150 30.706 1.00 0.00 S ATOM 0 H CYS A 4 30.312 27.545 29.952 1.00 0.00 H new ATOM 0 HA CYS A 4 31.428 25.002 30.786 1.00 0.00 H new ATOM 0 HB2 CYS A 4 29.280 25.176 32.042 1.00 0.00 H new ATOM 0 HB3 CYS A 4 28.426 25.451 30.536 1.00 0.00 H new ATOM 49 N ARG A 5 31.369 24.148 28.481 1.00 0.00 N ATOM 50 CA ARG A 5 31.554 23.610 27.122 1.00 0.00 C ATOM 51 C ARG A 5 30.247 23.040 26.575 1.00 0.00 C ATOM 52 O ARG A 5 29.203 23.025 27.231 1.00 0.00 O ATOM 53 CB ARG A 5 32.624 22.509 27.147 1.00 0.00 C ATOM 54 CG ARG A 5 34.066 22.940 27.046 1.00 0.00 C ATOM 55 CD ARG A 5 34.985 21.864 27.572 1.00 0.00 C ATOM 56 NE ARG A 5 35.000 21.744 29.030 1.00 0.00 N ATOM 57 CZ ARG A 5 35.927 21.079 29.683 1.00 0.00 C ATOM 58 NH1 ARG A 5 36.667 20.159 29.133 1.00 0.00 N ATOM 59 NH2 ARG A 5 36.107 21.377 30.925 1.00 0.00 N ATOM 0 H ARG A 5 31.886 23.607 29.174 1.00 0.00 H new ATOM 0 HA ARG A 5 31.873 24.424 26.471 1.00 0.00 H new ATOM 0 HB2 ARG A 5 32.505 21.945 28.072 1.00 0.00 H new ATOM 0 HB3 ARG A 5 32.420 21.822 26.326 1.00 0.00 H new ATOM 0 HG2 ARG A 5 34.313 23.160 26.007 1.00 0.00 H new ATOM 0 HG3 ARG A 5 34.216 23.860 27.611 1.00 0.00 H new ATOM 0 HD2 ARG A 5 34.687 20.907 27.144 1.00 0.00 H new ATOM 0 HD3 ARG A 5 35.998 22.067 27.225 1.00 0.00 H new ATOM 0 HE ARG A 5 34.258 22.197 29.564 1.00 0.00 H new ATOM 0 HH11 ARG A 5 36.541 19.924 28.148 1.00 0.00 H new ATOM 0 HH12 ARG A 5 37.373 19.673 29.687 1.00 0.00 H new ATOM 0 HH21 ARG A 5 35.540 22.104 31.362 1.00 0.00 H new ATOM 0 HH22 ARG A 5 36.816 20.886 31.470 1.00 0.00 H new ATOM 73 N CYS A 6 30.345 22.568 25.348 1.00 0.00 N ATOM 74 CA CYS A 6 29.268 21.992 24.542 1.00 0.00 C ATOM 75 C CYS A 6 29.726 20.740 23.756 1.00 0.00 C ATOM 76 O CYS A 6 30.888 20.355 23.814 1.00 0.00 O ATOM 77 CB CYS A 6 28.750 23.145 23.660 1.00 0.00 C ATOM 78 SG CYS A 6 28.028 24.517 24.601 1.00 0.00 S ATOM 0 H CYS A 6 31.234 22.574 24.848 1.00 0.00 H new ATOM 0 HA CYS A 6 28.457 21.604 25.159 1.00 0.00 H new ATOM 0 HB2 CYS A 6 29.573 23.525 23.054 1.00 0.00 H new ATOM 0 HB3 CYS A 6 28.001 22.755 22.971 1.00 0.00 H new ATOM 83 N ASP A 7 28.826 20.104 23.004 1.00 0.00 N ATOM 84 CA ASP A 7 29.059 18.855 22.224 1.00 0.00 C ATOM 85 C ASP A 7 30.129 19.014 21.140 1.00 0.00 C ATOM 86 O ASP A 7 30.889 18.104 20.829 1.00 0.00 O ATOM 87 CB ASP A 7 27.733 18.419 21.580 1.00 0.00 C ATOM 88 CG ASP A 7 27.796 17.108 20.793 1.00 0.00 C ATOM 89 OD1 ASP A 7 28.253 16.100 21.373 1.00 0.00 O ATOM 90 OD2 ASP A 7 27.281 17.097 19.650 1.00 0.00 O ATOM 0 H ASP A 7 27.870 20.447 22.908 1.00 0.00 H new ATOM 0 HA ASP A 7 29.427 18.099 22.918 1.00 0.00 H new ATOM 0 HB2 ASP A 7 26.982 18.319 22.363 1.00 0.00 H new ATOM 0 HB3 ASP A 7 27.394 19.210 20.912 1.00 0.00 H new ATOM 95 N SER A 8 30.190 20.219 20.584 1.00 0.00 N ATOM 96 CA SER A 8 31.146 20.652 19.575 1.00 0.00 C ATOM 97 C SER A 8 31.976 21.802 20.157 1.00 0.00 C ATOM 98 O SER A 8 32.118 22.851 19.524 1.00 0.00 O ATOM 99 CB SER A 8 30.401 21.019 18.282 1.00 0.00 C ATOM 100 OG SER A 8 31.298 21.508 17.308 1.00 0.00 O ATOM 0 H SER A 8 29.537 20.960 20.840 1.00 0.00 H new ATOM 0 HA SER A 8 31.839 19.854 19.308 1.00 0.00 H new ATOM 0 HB2 SER A 8 29.880 20.143 17.896 1.00 0.00 H new ATOM 0 HB3 SER A 8 29.643 21.772 18.495 1.00 0.00 H new ATOM 0 HG SER A 8 31.834 22.233 17.692 1.00 0.00 H new ATOM 106 N ASP A 9 32.500 21.647 21.383 1.00 0.00 N ATOM 107 CA ASP A 9 33.347 22.674 21.998 1.00 0.00 C ATOM 108 C ASP A 9 34.579 23.041 21.145 1.00 0.00 C ATOM 109 O ASP A 9 35.026 24.187 21.175 1.00 0.00 O ATOM 110 CB ASP A 9 33.681 22.310 23.457 1.00 0.00 C ATOM 111 CG ASP A 9 34.748 21.219 23.630 1.00 0.00 C ATOM 112 OD1 ASP A 9 34.852 20.322 22.764 1.00 0.00 O ATOM 113 OD2 ASP A 9 35.424 21.220 24.687 1.00 0.00 O ATOM 0 H ASP A 9 32.351 20.822 21.964 1.00 0.00 H new ATOM 0 HA ASP A 9 32.769 23.597 22.031 1.00 0.00 H new ATOM 0 HB2 ASP A 9 34.018 23.210 23.971 1.00 0.00 H new ATOM 0 HB3 ASP A 9 32.766 21.983 23.952 1.00 0.00 H new ATOM 118 N GLY A 10 35.061 22.106 20.318 1.00 0.00 N ATOM 119 CA GLY A 10 36.180 22.300 19.396 1.00 0.00 C ATOM 120 C GLY A 10 36.726 21.043 18.743 1.00 0.00 C ATOM 121 O GLY A 10 37.905 20.718 18.864 1.00 0.00 O ATOM 0 H GLY A 10 34.669 21.165 20.273 1.00 0.00 H new ATOM 0 HA2 GLY A 10 35.864 22.986 18.610 1.00 0.00 H new ATOM 0 HA3 GLY A 10 36.991 22.787 19.937 1.00 0.00 H new ATOM 125 N PRO A 11 35.893 20.399 17.916 1.00 0.00 N ATOM 126 CA PRO A 11 36.271 19.210 17.167 1.00 0.00 C ATOM 127 C PRO A 11 37.349 19.370 16.079 1.00 0.00 C ATOM 128 O PRO A 11 37.993 18.386 15.727 1.00 0.00 O ATOM 129 CB PRO A 11 34.962 18.738 16.516 1.00 0.00 C ATOM 130 CG PRO A 11 34.156 20.037 16.424 1.00 0.00 C ATOM 131 CD PRO A 11 34.475 20.676 17.745 1.00 0.00 C ATOM 0 HA PRO A 11 36.738 18.515 17.865 1.00 0.00 H new ATOM 0 HB2 PRO A 11 35.133 18.295 15.535 1.00 0.00 H new ATOM 0 HB3 PRO A 11 34.455 17.987 17.121 1.00 0.00 H new ATOM 0 HG2 PRO A 11 34.468 20.655 15.582 1.00 0.00 H new ATOM 0 HG3 PRO A 11 33.089 19.851 16.305 1.00 0.00 H new ATOM 0 HD2 PRO A 11 34.273 21.747 17.733 1.00 0.00 H new ATOM 0 HD3 PRO A 11 33.881 20.248 18.553 1.00 0.00 H new ATOM 139 N SER A 12 37.549 20.566 15.512 1.00 0.00 N ATOM 140 CA SER A 12 38.511 20.799 14.430 1.00 0.00 C ATOM 141 C SER A 12 39.855 21.284 14.909 1.00 0.00 C ATOM 142 O SER A 12 40.855 21.123 14.211 1.00 0.00 O ATOM 143 CB SER A 12 37.926 21.803 13.426 1.00 0.00 C ATOM 144 OG SER A 12 36.644 21.395 12.967 1.00 0.00 O ATOM 0 H SER A 12 37.043 21.406 15.794 1.00 0.00 H new ATOM 0 HA SER A 12 38.683 19.833 13.955 1.00 0.00 H new ATOM 0 HB2 SER A 12 37.851 22.785 13.894 1.00 0.00 H new ATOM 0 HB3 SER A 12 38.602 21.906 12.577 1.00 0.00 H new ATOM 0 HG SER A 12 36.299 22.056 12.331 1.00 0.00 H new ATOM 150 N VAL A 13 39.887 21.878 16.095 1.00 0.00 N ATOM 151 CA VAL A 13 41.078 22.468 16.676 1.00 0.00 C ATOM 152 C VAL A 13 40.982 22.568 18.186 1.00 0.00 C ATOM 153 O VAL A 13 39.946 22.925 18.725 1.00 0.00 O ATOM 154 CB VAL A 13 41.240 23.897 16.087 1.00 0.00 C ATOM 155 CG1 VAL A 13 42.649 23.986 15.489 1.00 0.00 C ATOM 156 CG2 VAL A 13 40.182 24.276 15.006 1.00 0.00 C ATOM 0 H VAL A 13 39.064 21.963 16.691 1.00 0.00 H new ATOM 0 HA VAL A 13 41.932 21.834 16.439 1.00 0.00 H new ATOM 0 HB VAL A 13 41.083 24.609 16.898 1.00 0.00 H new ATOM 0 HG11 VAL A 13 42.802 24.978 15.064 1.00 0.00 H new ATOM 0 HG12 VAL A 13 43.388 23.808 16.270 1.00 0.00 H new ATOM 0 HG13 VAL A 13 42.760 23.235 14.707 1.00 0.00 H new ATOM 0 HG21 VAL A 13 40.371 25.289 14.651 1.00 0.00 H new ATOM 0 HG22 VAL A 13 40.250 23.580 14.170 1.00 0.00 H new ATOM 0 HG23 VAL A 13 39.184 24.224 15.440 1.00 0.00 H new ATOM 166 N HIS A 14 42.078 22.253 18.861 1.00 0.00 N ATOM 167 CA HIS A 14 42.230 22.212 20.312 1.00 0.00 C ATOM 168 C HIS A 14 41.909 23.545 21.024 1.00 0.00 C ATOM 169 O HIS A 14 42.772 24.416 21.184 1.00 0.00 O ATOM 170 CB HIS A 14 43.644 21.712 20.649 1.00 0.00 C ATOM 171 CG HIS A 14 44.740 22.359 19.834 1.00 0.00 C ATOM 172 ND1 HIS A 14 45.196 23.642 20.000 1.00 0.00 N ATOM 173 CD2 HIS A 14 45.365 21.845 18.728 1.00 0.00 C ATOM 174 CE1 HIS A 14 46.088 23.902 19.030 1.00 0.00 C ATOM 175 NE2 HIS A 14 46.211 22.841 18.220 1.00 0.00 N ATOM 0 H HIS A 14 42.942 22.003 18.380 1.00 0.00 H new ATOM 0 HA HIS A 14 41.484 21.518 20.698 1.00 0.00 H new ATOM 0 HB2 HIS A 14 43.838 21.892 21.706 1.00 0.00 H new ATOM 0 HB3 HIS A 14 43.682 20.633 20.497 1.00 0.00 H new ATOM 0 HD1 HIS A 14 44.907 24.288 20.734 1.00 0.00 H new ATOM 0 HD2 HIS A 14 45.230 20.853 18.322 1.00 0.00 H new ATOM 0 HE1 HIS A 14 46.628 24.831 18.919 1.00 0.00 H new ATOM 183 N GLY A 15 40.675 23.686 21.506 1.00 0.00 N ATOM 184 CA GLY A 15 40.189 24.891 22.171 1.00 0.00 C ATOM 185 C GLY A 15 39.149 24.605 23.255 1.00 0.00 C ATOM 186 O GLY A 15 37.996 24.328 22.955 1.00 0.00 O ATOM 0 H GLY A 15 39.972 22.950 21.443 1.00 0.00 H new ATOM 0 HA2 GLY A 15 41.033 25.417 22.617 1.00 0.00 H new ATOM 0 HA3 GLY A 15 39.754 25.558 21.427 1.00 0.00 H new ATOM 190 N ASN A 16 39.540 24.667 24.530 1.00 0.00 N ATOM 191 CA ASN A 16 38.643 24.446 25.680 1.00 0.00 C ATOM 192 C ASN A 16 37.874 25.727 26.028 1.00 0.00 C ATOM 193 O ASN A 16 37.851 26.243 27.143 1.00 0.00 O ATOM 194 CB ASN A 16 39.475 23.864 26.836 1.00 0.00 C ATOM 195 CG ASN A 16 39.002 22.495 27.267 1.00 0.00 C ATOM 196 OD1 ASN A 16 38.711 22.233 28.421 1.00 0.00 O ATOM 197 ND2 ASN A 16 38.932 21.577 26.335 1.00 0.00 N ATOM 0 H ASN A 16 40.501 24.875 24.802 1.00 0.00 H new ATOM 0 HA ASN A 16 37.867 23.719 25.442 1.00 0.00 H new ATOM 0 HB2 ASN A 16 40.520 23.803 26.531 1.00 0.00 H new ATOM 0 HB3 ASN A 16 39.431 24.543 27.687 1.00 0.00 H new ATOM 0 HD21 ASN A 16 38.631 20.632 26.572 1.00 0.00 H new ATOM 0 HD22 ASN A 16 39.178 21.808 25.372 1.00 0.00 H new ATOM 204 N THR A 17 37.207 26.250 25.014 1.00 0.00 N ATOM 205 CA THR A 17 36.444 27.489 25.031 1.00 0.00 C ATOM 206 C THR A 17 35.024 27.427 25.575 1.00 0.00 C ATOM 207 O THR A 17 34.047 27.119 24.899 1.00 0.00 O ATOM 208 CB THR A 17 36.519 28.226 23.683 1.00 0.00 C ATOM 209 OG1 THR A 17 36.402 27.352 22.584 1.00 0.00 O ATOM 210 CG2 THR A 17 37.921 28.830 23.622 1.00 0.00 C ATOM 0 H THR A 17 37.181 25.795 24.102 1.00 0.00 H new ATOM 0 HA THR A 17 36.958 28.079 25.789 1.00 0.00 H new ATOM 0 HB THR A 17 35.708 28.952 23.625 1.00 0.00 H new ATOM 0 HG1 THR A 17 36.454 27.865 21.751 1.00 0.00 H new ATOM 0 HG21 THR A 17 38.043 29.371 22.684 1.00 0.00 H new ATOM 0 HG22 THR A 17 38.058 29.516 24.458 1.00 0.00 H new ATOM 0 HG23 THR A 17 38.663 28.034 23.681 1.00 0.00 H new ATOM 218 N LEU A 18 34.926 27.888 26.820 1.00 0.00 N ATOM 219 CA LEU A 18 33.721 28.002 27.624 1.00 0.00 C ATOM 220 C LEU A 18 32.830 29.206 27.244 1.00 0.00 C ATOM 221 O LEU A 18 32.346 29.919 28.115 1.00 0.00 O ATOM 222 CB LEU A 18 34.080 27.915 29.097 1.00 0.00 C ATOM 223 CG LEU A 18 34.822 26.614 29.412 1.00 0.00 C ATOM 224 CD1 LEU A 18 35.261 26.748 30.827 1.00 0.00 C ATOM 225 CD2 LEU A 18 33.847 25.464 29.340 1.00 0.00 C ATOM 0 H LEU A 18 35.749 28.214 27.326 1.00 0.00 H new ATOM 0 HA LEU A 18 33.076 27.153 27.399 1.00 0.00 H new ATOM 0 HB2 LEU A 18 34.702 28.767 29.373 1.00 0.00 H new ATOM 0 HB3 LEU A 18 33.173 27.974 29.699 1.00 0.00 H new ATOM 0 HG LEU A 18 35.648 26.438 28.723 1.00 0.00 H new ATOM 0 HD11 LEU A 18 35.802 25.851 31.127 1.00 0.00 H new ATOM 0 HD12 LEU A 18 35.914 27.615 30.925 1.00 0.00 H new ATOM 0 HD13 LEU A 18 34.389 26.877 31.468 1.00 0.00 H new ATOM 0 HD21 LEU A 18 34.366 24.532 29.563 1.00 0.00 H new ATOM 0 HD22 LEU A 18 33.049 25.617 30.066 1.00 0.00 H new ATOM 0 HD23 LEU A 18 33.420 25.411 28.338 1.00 0.00 H new ATOM 237 N SER A 19 32.618 29.414 25.941 1.00 0.00 N ATOM 238 CA SER A 19 31.740 30.479 25.404 1.00 0.00 C ATOM 239 C SER A 19 30.289 30.166 25.794 1.00 0.00 C ATOM 240 O SER A 19 29.485 31.082 25.981 1.00 0.00 O ATOM 241 CB SER A 19 31.852 30.573 23.877 1.00 0.00 C ATOM 242 OG SER A 19 33.064 31.225 23.550 1.00 0.00 O ATOM 0 H SER A 19 33.053 28.845 25.214 1.00 0.00 H new ATOM 0 HA SER A 19 32.050 31.436 25.824 1.00 0.00 H new ATOM 0 HB2 SER A 19 31.827 29.577 23.434 1.00 0.00 H new ATOM 0 HB3 SER A 19 31.005 31.124 23.469 1.00 0.00 H new ATOM 0 HG SER A 19 33.148 31.290 22.576 1.00 0.00 H new ATOM 248 N GLY A 20 29.993 28.860 25.923 1.00 0.00 N ATOM 249 CA GLY A 20 28.723 28.295 26.339 1.00 0.00 C ATOM 250 C GLY A 20 28.534 28.595 27.824 1.00 0.00 C ATOM 251 O GLY A 20 29.391 29.176 28.501 1.00 0.00 O ATOM 0 H GLY A 20 30.685 28.138 25.724 1.00 0.00 H new ATOM 0 HA2 GLY A 20 27.907 28.724 25.757 1.00 0.00 H new ATOM 0 HA3 GLY A 20 28.709 27.219 26.163 1.00 0.00 H new ATOM 255 N THR A 21 27.398 28.232 28.399 1.00 0.00 N ATOM 256 CA THR A 21 27.127 28.549 29.797 1.00 0.00 C ATOM 257 C THR A 21 26.208 27.547 30.461 1.00 0.00 C ATOM 258 O THR A 21 25.239 27.094 29.845 1.00 0.00 O ATOM 259 CB THR A 21 26.449 29.931 29.852 1.00 0.00 C ATOM 260 OG1 THR A 21 27.219 30.911 29.190 1.00 0.00 O ATOM 261 CG2 THR A 21 26.264 30.500 31.240 1.00 0.00 C ATOM 0 H THR A 21 26.653 27.721 27.926 1.00 0.00 H new ATOM 0 HA THR A 21 28.077 28.529 30.330 1.00 0.00 H new ATOM 0 HB THR A 21 25.482 29.736 29.389 1.00 0.00 H new ATOM 0 HG1 THR A 21 26.699 31.291 28.451 1.00 0.00 H new ATOM 0 HG21 THR A 21 25.779 31.474 31.172 1.00 0.00 H new ATOM 0 HG22 THR A 21 25.643 29.826 31.830 1.00 0.00 H new ATOM 0 HG23 THR A 21 27.236 30.612 31.720 1.00 0.00 H new ATOM 269 N VAL A 22 26.521 27.201 31.711 1.00 0.00 N ATOM 270 CA VAL A 22 25.710 26.326 32.514 1.00 0.00 C ATOM 271 C VAL A 22 24.829 27.207 33.374 1.00 0.00 C ATOM 272 O VAL A 22 25.221 28.230 33.957 1.00 0.00 O ATOM 273 CB VAL A 22 26.438 25.243 33.263 1.00 0.00 C ATOM 274 CG1 VAL A 22 27.542 25.724 34.123 1.00 0.00 C ATOM 275 CG2 VAL A 22 25.439 24.430 34.079 1.00 0.00 C ATOM 0 H VAL A 22 27.360 27.533 32.187 1.00 0.00 H new ATOM 0 HA VAL A 22 25.101 25.711 31.851 1.00 0.00 H new ATOM 0 HB VAL A 22 26.917 24.619 32.509 1.00 0.00 H new ATOM 0 HG11 VAL A 22 28.009 24.876 34.624 1.00 0.00 H new ATOM 0 HG12 VAL A 22 28.283 26.237 33.510 1.00 0.00 H new ATOM 0 HG13 VAL A 22 27.148 26.414 34.869 1.00 0.00 H new ATOM 0 HG21 VAL A 22 25.966 23.645 34.622 1.00 0.00 H new ATOM 0 HG22 VAL A 22 24.931 25.084 34.788 1.00 0.00 H new ATOM 0 HG23 VAL A 22 24.705 23.979 33.411 1.00 0.00 H new ATOM 285 N TRP A 23 23.605 26.749 33.375 1.00 0.00 N ATOM 286 CA TRP A 23 22.439 27.264 34.040 1.00 0.00 C ATOM 287 C TRP A 23 21.975 26.130 34.894 1.00 0.00 C ATOM 288 O TRP A 23 21.637 25.039 34.438 1.00 0.00 O ATOM 289 CB TRP A 23 21.378 27.659 33.018 1.00 0.00 C ATOM 290 CG TRP A 23 21.923 28.413 31.859 1.00 0.00 C ATOM 291 CD1 TRP A 23 22.340 27.852 30.702 1.00 0.00 C ATOM 292 CD2 TRP A 23 22.234 29.830 31.783 1.00 0.00 C ATOM 293 NE1 TRP A 23 22.870 28.844 29.900 1.00 0.00 N ATOM 294 CE2 TRP A 23 22.793 30.074 30.507 1.00 0.00 C ATOM 295 CE3 TRP A 23 22.110 30.934 32.653 1.00 0.00 C ATOM 296 CZ2 TRP A 23 23.154 31.351 30.106 1.00 0.00 C ATOM 297 CZ3 TRP A 23 22.393 32.242 32.219 1.00 0.00 C ATOM 298 CH2 TRP A 23 22.895 32.450 30.926 1.00 0.00 C ATOM 0 H TRP A 23 23.376 25.907 32.847 1.00 0.00 H new ATOM 0 HA TRP A 23 22.643 28.160 34.626 1.00 0.00 H new ATOM 0 HB2 TRP A 23 20.882 26.759 32.655 1.00 0.00 H new ATOM 0 HB3 TRP A 23 20.618 28.265 33.511 1.00 0.00 H new ATOM 0 HD1 TRP A 23 22.271 26.805 30.448 1.00 0.00 H new ATOM 0 HE1 TRP A 23 23.268 28.684 28.975 1.00 0.00 H new ATOM 0 HE3 TRP A 23 21.792 30.772 33.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 23.639 31.496 29.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 22.225 33.081 32.878 1.00 0.00 H new ATOM 0 HH2 TRP A 23 23.080 33.452 30.568 1.00 0.00 H new ATOM 309 N VAL A 24 22.177 26.345 36.174 1.00 0.00 N ATOM 310 CA VAL A 24 21.844 25.335 37.147 1.00 0.00 C ATOM 311 C VAL A 24 20.353 25.409 37.355 1.00 0.00 C ATOM 312 O VAL A 24 19.702 26.413 37.059 1.00 0.00 O ATOM 313 CB VAL A 24 22.696 25.440 38.379 1.00 0.00 C ATOM 314 CG1 VAL A 24 24.117 25.818 37.880 1.00 0.00 C ATOM 315 CG2 VAL A 24 21.994 26.292 39.442 1.00 0.00 C ATOM 0 H VAL A 24 22.567 27.204 36.562 1.00 0.00 H new ATOM 0 HA VAL A 24 22.078 24.329 36.799 1.00 0.00 H new ATOM 0 HB VAL A 24 22.835 24.519 38.945 1.00 0.00 H new ATOM 0 HG11 VAL A 24 24.789 25.910 38.733 1.00 0.00 H new ATOM 0 HG12 VAL A 24 24.486 25.042 37.210 1.00 0.00 H new ATOM 0 HG13 VAL A 24 24.075 26.768 37.347 1.00 0.00 H new ATOM 0 HG21 VAL A 24 22.624 26.359 40.329 1.00 0.00 H new ATOM 0 HG22 VAL A 24 21.816 27.292 39.047 1.00 0.00 H new ATOM 0 HG23 VAL A 24 21.042 25.832 39.707 1.00 0.00 H new ATOM 325 N GLY A 25 19.801 24.336 37.879 1.00 0.00 N ATOM 326 CA GLY A 25 18.369 24.306 38.046 1.00 0.00 C ATOM 327 C GLY A 25 17.686 23.903 36.694 1.00 0.00 C ATOM 328 O GLY A 25 16.882 22.971 36.708 1.00 0.00 O ATOM 0 H GLY A 25 20.302 23.502 38.186 1.00 0.00 H new ATOM 0 HA2 GLY A 25 18.099 23.595 38.827 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.011 25.284 38.368 1.00 0.00 H new ATOM 332 N SER A 26 18.065 24.555 35.572 1.00 0.00 N ATOM 333 CA SER A 26 17.699 24.439 34.139 1.00 0.00 C ATOM 334 C SER A 26 18.150 25.668 33.285 1.00 0.00 C ATOM 335 O SER A 26 18.479 26.712 33.857 1.00 0.00 O ATOM 336 CB SER A 26 16.209 24.129 33.910 1.00 0.00 C ATOM 337 OG SER A 26 15.980 23.650 32.589 1.00 0.00 O ATOM 0 H SER A 26 18.752 25.302 35.671 1.00 0.00 H new ATOM 0 HA SER A 26 18.263 23.575 33.786 1.00 0.00 H new ATOM 0 HB2 SER A 26 15.874 23.385 34.633 1.00 0.00 H new ATOM 0 HB3 SER A 26 15.617 25.028 34.081 1.00 0.00 H new ATOM 0 HG SER A 26 16.419 22.781 32.476 1.00 0.00 H new ATOM 343 N CYS A 27 18.177 25.558 31.946 1.00 0.00 N ATOM 344 CA CYS A 27 18.575 26.555 30.923 1.00 0.00 C ATOM 345 C CYS A 27 17.881 27.920 30.971 1.00 0.00 C ATOM 346 O CYS A 27 16.742 28.085 31.410 1.00 0.00 O ATOM 347 CB CYS A 27 18.328 25.941 29.534 1.00 0.00 C ATOM 348 SG CYS A 27 19.267 26.572 28.127 1.00 0.00 S ATOM 0 H CYS A 27 17.893 24.684 31.503 1.00 0.00 H new ATOM 0 HA CYS A 27 19.622 26.769 31.139 1.00 0.00 H new ATOM 0 HB2 CYS A 27 18.521 24.871 29.607 1.00 0.00 H new ATOM 0 HB3 CYS A 27 17.269 26.059 29.304 1.00 0.00 H new ATOM 353 N ALA A 28 18.602 28.907 30.428 1.00 0.00 N ATOM 354 CA ALA A 28 18.169 30.287 30.281 1.00 0.00 C ATOM 355 C ALA A 28 17.134 30.392 29.149 1.00 0.00 C ATOM 356 O ALA A 28 17.338 29.871 28.052 1.00 0.00 O ATOM 357 CB ALA A 28 19.423 31.118 30.001 1.00 0.00 C ATOM 0 H ALA A 28 19.543 28.752 30.066 1.00 0.00 H new ATOM 0 HA ALA A 28 17.680 30.659 31.181 1.00 0.00 H new ATOM 0 HB1 ALA A 28 19.146 32.166 29.883 1.00 0.00 H new ATOM 0 HB2 ALA A 28 20.119 31.018 30.834 1.00 0.00 H new ATOM 0 HB3 ALA A 28 19.898 30.763 29.087 1.00 0.00 H new ATOM 363 N SER A 29 16.064 31.135 29.413 1.00 0.00 N ATOM 364 CA SER A 29 14.862 31.418 28.610 1.00 0.00 C ATOM 365 C SER A 29 14.986 31.424 27.079 1.00 0.00 C ATOM 366 O SER A 29 14.122 30.873 26.401 1.00 0.00 O ATOM 367 CB SER A 29 14.286 32.763 29.067 1.00 0.00 C ATOM 368 OG SER A 29 14.372 32.895 30.479 1.00 0.00 O ATOM 0 H SER A 29 16.005 31.618 30.309 1.00 0.00 H new ATOM 0 HA SER A 29 14.215 30.562 28.801 1.00 0.00 H new ATOM 0 HB2 SER A 29 14.828 33.578 28.587 1.00 0.00 H new ATOM 0 HB3 SER A 29 13.246 32.844 28.752 1.00 0.00 H new ATOM 0 HG SER A 29 14.001 33.761 30.750 1.00 0.00 H new ATOM 374 N GLY A 30 16.032 32.051 26.535 1.00 0.00 N ATOM 375 CA GLY A 30 16.285 32.194 25.094 1.00 0.00 C ATOM 376 C GLY A 30 17.443 31.372 24.516 1.00 0.00 C ATOM 377 O GLY A 30 17.866 31.624 23.389 1.00 0.00 O ATOM 0 H GLY A 30 16.755 32.490 27.105 1.00 0.00 H new ATOM 0 HA2 GLY A 30 15.375 31.923 24.560 1.00 0.00 H new ATOM 0 HA3 GLY A 30 16.476 33.246 24.884 1.00 0.00 H new ATOM 381 N TRP A 31 18.024 30.463 25.293 1.00 0.00 N ATOM 382 CA TRP A 31 19.128 29.592 24.879 1.00 0.00 C ATOM 383 C TRP A 31 18.626 28.174 24.571 1.00 0.00 C ATOM 384 O TRP A 31 17.440 27.879 24.651 1.00 0.00 O ATOM 385 CB TRP A 31 20.191 29.527 25.969 1.00 0.00 C ATOM 386 CG TRP A 31 20.854 30.785 26.456 1.00 0.00 C ATOM 387 CD1 TRP A 31 20.290 31.978 26.755 1.00 0.00 C ATOM 388 CD2 TRP A 31 22.273 30.975 26.696 1.00 0.00 C ATOM 389 NE1 TRP A 31 21.265 32.893 27.090 1.00 0.00 N ATOM 390 CE2 TRP A 31 22.517 32.339 26.995 1.00 0.00 C ATOM 391 CE3 TRP A 31 23.388 30.129 26.640 1.00 0.00 C ATOM 392 CZ2 TRP A 31 23.812 32.853 27.129 1.00 0.00 C ATOM 393 CZ3 TRP A 31 24.687 30.604 26.881 1.00 0.00 C ATOM 394 CH2 TRP A 31 24.913 31.974 27.092 1.00 0.00 C ATOM 0 H TRP A 31 17.734 30.304 26.258 1.00 0.00 H new ATOM 0 HA TRP A 31 19.563 30.015 23.973 1.00 0.00 H new ATOM 0 HB2 TRP A 31 19.737 29.045 26.835 1.00 0.00 H new ATOM 0 HB3 TRP A 31 20.979 28.864 25.612 1.00 0.00 H new ATOM 0 HD1 TRP A 31 19.230 32.183 26.734 1.00 0.00 H new ATOM 0 HE1 TRP A 31 21.080 33.856 27.372 1.00 0.00 H new ATOM 0 HE3 TRP A 31 23.245 29.085 26.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 23.966 33.914 27.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 25.516 29.913 26.904 1.00 0.00 H new ATOM 0 HH2 TRP A 31 25.917 32.349 27.224 1.00 0.00 H new ATOM 405 N HIS A 32 19.535 27.278 24.168 1.00 0.00 N ATOM 406 CA HIS A 32 19.179 25.871 23.909 1.00 0.00 C ATOM 407 C HIS A 32 20.364 24.977 24.217 1.00 0.00 C ATOM 408 O HIS A 32 21.512 25.446 24.218 1.00 0.00 O ATOM 409 CB HIS A 32 18.759 25.578 22.447 1.00 0.00 C ATOM 410 CG HIS A 32 17.743 26.505 21.845 1.00 0.00 C ATOM 411 ND1 HIS A 32 16.423 26.211 21.593 1.00 0.00 N ATOM 412 CD2 HIS A 32 17.990 27.768 21.396 1.00 0.00 C ATOM 413 CE1 HIS A 32 15.879 27.294 21.003 1.00 0.00 C ATOM 414 NE2 HIS A 32 16.802 28.256 20.849 1.00 0.00 N ATOM 0 H HIS A 32 20.519 27.497 24.014 1.00 0.00 H new ATOM 0 HA HIS A 32 18.322 25.671 24.553 1.00 0.00 H new ATOM 0 HB2 HIS A 32 19.653 25.600 21.824 1.00 0.00 H new ATOM 0 HB3 HIS A 32 18.364 24.563 22.402 1.00 0.00 H new ATOM 0 HD2 HIS A 32 18.931 28.294 21.453 1.00 0.00 H new ATOM 0 HE1 HIS A 32 14.846 27.376 20.697 1.00 0.00 H new ATOM 0 HE2 HIS A 32 16.662 29.169 20.415 1.00 0.00 H new ATOM 422 N LYS A 33 20.071 23.700 24.409 1.00 0.00 N ATOM 423 CA LYS A 33 21.038 22.641 24.689 1.00 0.00 C ATOM 424 C LYS A 33 22.080 22.524 23.615 1.00 0.00 C ATOM 425 O LYS A 33 21.799 22.181 22.472 1.00 0.00 O ATOM 426 CB LYS A 33 20.367 21.271 24.852 1.00 0.00 C ATOM 427 CG LYS A 33 20.512 20.844 26.291 1.00 0.00 C ATOM 428 CD LYS A 33 19.520 21.717 27.059 1.00 0.00 C ATOM 429 CE LYS A 33 19.589 21.263 28.483 1.00 0.00 C ATOM 430 NZ LYS A 33 19.084 19.883 28.592 1.00 0.00 N ATOM 0 H LYS A 33 19.112 23.355 24.373 1.00 0.00 H new ATOM 0 HA LYS A 33 21.512 22.929 25.627 1.00 0.00 H new ATOM 0 HB2 LYS A 33 19.314 21.328 24.577 1.00 0.00 H new ATOM 0 HB3 LYS A 33 20.830 20.540 24.190 1.00 0.00 H new ATOM 0 HG2 LYS A 33 20.285 19.785 26.414 1.00 0.00 H new ATOM 0 HG3 LYS A 33 21.531 20.995 26.648 1.00 0.00 H new ATOM 0 HD2 LYS A 33 19.780 22.772 26.973 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.511 21.604 26.662 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.617 21.313 28.841 1.00 0.00 H new ATOM 0 HE3 LYS A 33 18.999 21.927 29.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 18.599 19.762 29.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 18.416 19.695 27.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.880 19.216 28.532 1.00 0.00 H new ATOM 444 N CYS A 34 23.295 22.860 24.004 1.00 0.00 N ATOM 445 CA CYS A 34 24.422 22.735 23.119 1.00 0.00 C ATOM 446 C CYS A 34 24.985 21.305 23.173 1.00 0.00 C ATOM 447 O CYS A 34 26.035 21.068 22.573 1.00 0.00 O ATOM 448 CB CYS A 34 25.420 23.815 23.479 1.00 0.00 C ATOM 449 SG CYS A 34 26.233 23.700 25.084 1.00 0.00 S ATOM 0 H CYS A 34 23.520 23.222 24.931 1.00 0.00 H new ATOM 0 HA CYS A 34 24.138 22.887 22.078 1.00 0.00 H new ATOM 0 HB2 CYS A 34 26.193 23.827 22.711 1.00 0.00 H new ATOM 0 HB3 CYS A 34 24.907 24.776 23.430 1.00 0.00 H new ATOM 454 N ASN A 35 24.340 20.367 23.905 1.00 0.00 N ATOM 455 CA ASN A 35 24.797 18.975 23.944 1.00 0.00 C ATOM 456 C ASN A 35 23.657 18.050 24.386 1.00 0.00 C ATOM 457 O ASN A 35 22.660 18.545 24.912 1.00 0.00 O ATOM 458 CB ASN A 35 26.064 18.807 24.816 1.00 0.00 C ATOM 459 CG ASN A 35 25.989 19.225 26.265 1.00 0.00 C ATOM 460 OD1 ASN A 35 24.956 19.902 26.665 1.00 0.00 O flip ATOM 461 ND2 ASN A 35 26.866 18.942 27.056 1.00 0.00 N flip ATOM 0 H ASN A 35 23.511 20.555 24.468 1.00 0.00 H new ATOM 0 HA ASN A 35 25.086 18.684 22.934 1.00 0.00 H new ATOM 0 HB2 ASN A 35 26.353 17.756 24.786 1.00 0.00 H new ATOM 0 HB3 ASN A 35 26.869 19.372 24.347 1.00 0.00 H new ATOM 0 HD21 ASN A 35 27.680 18.410 26.747 1.00 0.00 H new ATOM 0 HD22 ASN A 35 26.789 19.236 28.030 1.00 0.00 H new ATOM 468 N ASP A 36 23.821 16.740 24.187 1.00 0.00 N ATOM 469 CA ASP A 36 22.817 15.731 24.576 1.00 0.00 C ATOM 470 C ASP A 36 22.692 15.566 26.093 1.00 0.00 C ATOM 471 O ASP A 36 21.619 15.294 26.624 1.00 0.00 O ATOM 472 CB ASP A 36 23.165 14.384 23.932 1.00 0.00 C ATOM 473 CG ASP A 36 21.942 13.462 23.879 1.00 0.00 C ATOM 474 OD1 ASP A 36 21.099 13.631 22.965 1.00 0.00 O ATOM 475 OD2 ASP A 36 21.819 12.561 24.746 1.00 0.00 O ATOM 0 H ASP A 36 24.653 16.342 23.751 1.00 0.00 H new ATOM 0 HA ASP A 36 21.851 16.085 24.217 1.00 0.00 H new ATOM 0 HB2 ASP A 36 23.544 14.548 22.923 1.00 0.00 H new ATOM 0 HB3 ASP A 36 23.962 13.903 24.498 1.00 0.00 H new ATOM 480 N GLU A 37 23.823 15.684 26.772 1.00 0.00 N ATOM 481 CA GLU A 37 23.988 15.635 28.219 1.00 0.00 C ATOM 482 C GLU A 37 23.896 17.078 28.745 1.00 0.00 C ATOM 483 O GLU A 37 23.651 18.013 27.984 1.00 0.00 O ATOM 484 CB GLU A 37 25.313 14.949 28.574 1.00 0.00 C ATOM 485 CG GLU A 37 26.497 15.695 27.978 1.00 0.00 C ATOM 486 CD GLU A 37 27.807 14.928 28.167 1.00 0.00 C ATOM 487 OE1 GLU A 37 28.140 14.111 27.274 1.00 0.00 O ATOM 488 OE2 GLU A 37 28.464 15.145 29.211 1.00 0.00 O ATOM 0 H GLU A 37 24.713 15.827 26.294 1.00 0.00 H new ATOM 0 HA GLU A 37 23.206 15.042 28.694 1.00 0.00 H new ATOM 0 HB2 GLU A 37 25.420 14.898 29.658 1.00 0.00 H new ATOM 0 HB3 GLU A 37 25.304 13.923 28.206 1.00 0.00 H new ATOM 0 HG2 GLU A 37 26.324 15.861 26.915 1.00 0.00 H new ATOM 0 HG3 GLU A 37 26.580 16.676 28.445 1.00 0.00 H new ATOM 495 N TYR A 38 24.098 17.330 30.034 1.00 0.00 N ATOM 496 CA TYR A 38 23.986 18.685 30.568 1.00 0.00 C ATOM 497 C TYR A 38 25.001 18.926 31.664 1.00 0.00 C ATOM 498 O TYR A 38 25.874 19.787 31.544 1.00 0.00 O ATOM 499 CB TYR A 38 22.580 18.918 31.130 1.00 0.00 C ATOM 500 CG TYR A 38 21.567 17.922 30.707 1.00 0.00 C ATOM 501 CD1 TYR A 38 21.059 18.039 29.416 1.00 0.00 C ATOM 502 CD2 TYR A 38 21.365 16.781 31.493 1.00 0.00 C ATOM 503 CE1 TYR A 38 20.325 16.965 28.883 1.00 0.00 C ATOM 504 CE2 TYR A 38 20.648 15.706 30.962 1.00 0.00 C ATOM 505 CZ TYR A 38 20.115 15.795 29.653 1.00 0.00 C ATOM 506 OH TYR A 38 19.439 14.747 29.120 1.00 0.00 O ATOM 0 H TYR A 38 24.339 16.620 30.725 1.00 0.00 H new ATOM 0 HA TYR A 38 24.178 19.380 29.750 1.00 0.00 H new ATOM 0 HB2 TYR A 38 22.635 18.919 32.219 1.00 0.00 H new ATOM 0 HB3 TYR A 38 22.243 19.909 30.827 1.00 0.00 H new ATOM 0 HD1 TYR A 38 21.225 18.935 28.837 1.00 0.00 H new ATOM 0 HD2 TYR A 38 21.759 16.733 32.498 1.00 0.00 H new ATOM 0 HE1 TYR A 38 19.920 17.032 27.884 1.00 0.00 H new ATOM 0 HE2 TYR A 38 20.501 14.811 31.548 1.00 0.00 H new ATOM 0 HH TYR A 38 19.384 14.024 29.779 1.00 0.00 H new ATOM 516 N ASN A 39 24.794 18.211 32.776 1.00 0.00 N ATOM 517 CA ASN A 39 25.585 18.256 33.983 1.00 0.00 C ATOM 518 C ASN A 39 25.010 17.362 35.092 1.00 0.00 C ATOM 519 O ASN A 39 23.905 16.824 35.029 1.00 0.00 O ATOM 520 CB ASN A 39 25.695 19.712 34.502 1.00 0.00 C ATOM 521 CG ASN A 39 27.135 20.055 34.796 1.00 0.00 C ATOM 522 OD1 ASN A 39 27.731 19.581 35.744 1.00 0.00 O ATOM 523 ND2 ASN A 39 27.733 20.866 33.972 1.00 0.00 N ATOM 0 H ASN A 39 24.020 17.550 32.848 1.00 0.00 H new ATOM 0 HA ASN A 39 26.574 17.877 33.726 1.00 0.00 H new ATOM 0 HB2 ASN A 39 25.294 20.402 33.759 1.00 0.00 H new ATOM 0 HB3 ASN A 39 25.094 19.830 35.404 1.00 0.00 H new ATOM 0 HD21 ASN A 39 28.712 21.110 34.118 1.00 0.00 H new ATOM 0 HD22 ASN A 39 27.222 21.257 33.180 1.00 0.00 H new ATOM 530 N ILE A 40 25.796 17.308 36.167 1.00 0.00 N ATOM 531 CA ILE A 40 25.607 16.640 37.459 1.00 0.00 C ATOM 532 C ILE A 40 24.233 16.860 38.129 1.00 0.00 C ATOM 533 O ILE A 40 23.679 16.027 38.832 1.00 0.00 O ATOM 534 CB ILE A 40 26.695 17.269 38.358 1.00 0.00 C ATOM 535 CG1 ILE A 40 26.817 16.670 39.751 1.00 0.00 C ATOM 536 CG2 ILE A 40 26.432 18.757 38.579 1.00 0.00 C ATOM 537 CD1 ILE A 40 26.959 15.164 39.621 1.00 0.00 C ATOM 0 H ILE A 40 26.694 17.792 36.152 1.00 0.00 H new ATOM 0 HA ILE A 40 25.668 15.561 37.314 1.00 0.00 H new ATOM 0 HB ILE A 40 27.613 17.069 37.806 1.00 0.00 H new ATOM 0 HG12 ILE A 40 27.681 17.088 40.268 1.00 0.00 H new ATOM 0 HG13 ILE A 40 25.938 16.917 40.347 1.00 0.00 H new ATOM 0 HG21 ILE A 40 27.213 19.174 39.215 1.00 0.00 H new ATOM 0 HG22 ILE A 40 26.432 19.273 37.619 1.00 0.00 H new ATOM 0 HG23 ILE A 40 25.463 18.888 39.061 1.00 0.00 H new ATOM 0 HD11 ILE A 40 27.048 14.720 40.613 1.00 0.00 H new ATOM 0 HD12 ILE A 40 26.081 14.758 39.119 1.00 0.00 H new ATOM 0 HD13 ILE A 40 27.850 14.932 39.038 1.00 0.00 H new ATOM 549 N ALA A 41 23.740 18.056 37.852 1.00 0.00 N ATOM 550 CA ALA A 41 22.523 18.662 38.326 1.00 0.00 C ATOM 551 C ALA A 41 21.967 19.746 37.396 1.00 0.00 C ATOM 552 O ALA A 41 20.775 19.883 37.171 1.00 0.00 O ATOM 553 CB ALA A 41 22.912 19.370 39.614 1.00 0.00 C ATOM 0 H ALA A 41 24.240 18.685 37.224 1.00 0.00 H new ATOM 0 HA ALA A 41 21.762 17.887 38.418 1.00 0.00 H new ATOM 0 HB1 ALA A 41 22.036 19.859 40.039 1.00 0.00 H new ATOM 0 HB2 ALA A 41 23.303 18.642 40.325 1.00 0.00 H new ATOM 0 HB3 ALA A 41 23.677 20.117 39.402 1.00 0.00 H new ATOM 559 N TYR A 42 22.910 20.556 36.912 1.00 0.00 N ATOM 560 CA TYR A 42 22.788 21.716 36.065 1.00 0.00 C ATOM 561 C TYR A 42 22.567 21.383 34.582 1.00 0.00 C ATOM 562 O TYR A 42 22.482 20.218 34.185 1.00 0.00 O ATOM 563 CB TYR A 42 24.091 22.471 36.150 1.00 0.00 C ATOM 564 CG TYR A 42 24.813 22.687 37.440 1.00 0.00 C ATOM 565 CD1 TYR A 42 24.263 22.409 38.690 1.00 0.00 C ATOM 566 CD2 TYR A 42 26.017 23.380 37.335 1.00 0.00 C ATOM 567 CE1 TYR A 42 25.004 22.653 39.841 1.00 0.00 C ATOM 568 CE2 TYR A 42 26.661 23.815 38.492 1.00 0.00 C ATOM 569 CZ TYR A 42 26.208 23.387 39.765 1.00 0.00 C ATOM 570 OH TYR A 42 26.844 23.763 40.907 1.00 0.00 O ATOM 0 H TYR A 42 23.889 20.382 37.139 1.00 0.00 H new ATOM 0 HA TYR A 42 21.921 22.278 36.412 1.00 0.00 H new ATOM 0 HB2 TYR A 42 24.789 21.964 35.484 1.00 0.00 H new ATOM 0 HB3 TYR A 42 23.907 23.459 35.727 1.00 0.00 H new ATOM 0 HD1 TYR A 42 23.264 22.005 38.764 1.00 0.00 H new ATOM 0 HD2 TYR A 42 26.448 23.579 36.365 1.00 0.00 H new ATOM 0 HE1 TYR A 42 24.658 22.281 40.794 1.00 0.00 H new ATOM 0 HE2 TYR A 42 27.508 24.481 38.418 1.00 0.00 H new ATOM 0 HH TYR A 42 27.658 24.260 40.680 1.00 0.00 H new ATOM 580 N GLU A 43 22.672 22.412 33.739 1.00 0.00 N ATOM 581 CA GLU A 43 22.549 22.254 32.283 1.00 0.00 C ATOM 582 C GLU A 43 23.344 23.269 31.447 1.00 0.00 C ATOM 583 O GLU A 43 23.176 24.490 31.547 1.00 0.00 O ATOM 584 CB GLU A 43 21.127 22.379 31.731 1.00 0.00 C ATOM 585 CG GLU A 43 20.024 21.353 32.014 1.00 0.00 C ATOM 586 CD GLU A 43 18.628 21.945 31.747 1.00 0.00 C ATOM 587 OE1 GLU A 43 18.516 22.867 30.914 1.00 0.00 O ATOM 588 OE2 GLU A 43 17.621 21.494 32.333 1.00 0.00 O ATOM 0 H GLU A 43 22.843 23.372 34.040 1.00 0.00 H new ATOM 0 HA GLU A 43 22.940 21.242 32.181 1.00 0.00 H new ATOM 0 HB2 GLU A 43 20.747 23.342 32.072 1.00 0.00 H new ATOM 0 HB3 GLU A 43 21.221 22.439 30.647 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.174 20.473 31.389 1.00 0.00 H new ATOM 0 HG3 GLU A 43 20.089 21.022 33.051 1.00 0.00 H new ATOM 595 N CYS A 44 24.204 22.740 30.584 1.00 0.00 N ATOM 596 CA CYS A 44 25.051 23.502 29.669 1.00 0.00 C ATOM 597 C CYS A 44 24.298 23.815 28.357 1.00 0.00 C ATOM 598 O CYS A 44 23.829 22.944 27.618 1.00 0.00 O ATOM 599 CB CYS A 44 26.363 22.723 29.485 1.00 0.00 C ATOM 600 SG CYS A 44 27.275 22.565 31.056 1.00 0.00 S ATOM 0 H CYS A 44 24.337 21.732 30.498 1.00 0.00 H new ATOM 0 HA CYS A 44 25.304 24.481 30.076 1.00 0.00 H new ATOM 0 HB2 CYS A 44 26.146 21.731 29.088 1.00 0.00 H new ATOM 0 HB3 CYS A 44 26.988 23.230 28.750 1.00 0.00 H new ATOM 605 N CYS A 45 24.104 25.107 28.103 1.00 0.00 N ATOM 606 CA CYS A 45 23.468 25.669 26.908 1.00 0.00 C ATOM 607 C CYS A 45 24.410 26.663 26.252 1.00 0.00 C ATOM 608 O CYS A 45 25.451 27.033 26.785 1.00 0.00 O ATOM 609 CB CYS A 45 22.141 26.370 27.241 1.00 0.00 C ATOM 610 SG CYS A 45 20.861 25.316 27.966 1.00 0.00 S ATOM 0 H CYS A 45 24.401 25.830 28.758 1.00 0.00 H new ATOM 0 HA CYS A 45 23.251 24.845 26.228 1.00 0.00 H new ATOM 0 HB2 CYS A 45 22.346 27.189 27.931 1.00 0.00 H new ATOM 0 HB3 CYS A 45 21.746 26.814 26.327 1.00 0.00 H new ATOM 615 N LYS A 46 24.004 27.169 25.094 1.00 0.00 N ATOM 616 CA LYS A 46 24.746 28.180 24.339 1.00 0.00 C ATOM 617 C LYS A 46 23.892 29.294 23.751 1.00 0.00 C ATOM 618 O LYS A 46 22.667 29.165 23.718 1.00 0.00 O ATOM 619 CB LYS A 46 25.780 27.511 23.435 1.00 0.00 C ATOM 620 CG LYS A 46 25.402 27.270 22.001 1.00 0.00 C ATOM 621 CD LYS A 46 24.062 26.593 21.872 1.00 0.00 C ATOM 622 CE LYS A 46 23.014 27.540 21.315 1.00 0.00 C ATOM 623 NZ LYS A 46 21.732 27.318 22.032 1.00 0.00 N ATOM 0 H LYS A 46 23.135 26.885 24.642 1.00 0.00 H new ATOM 0 HA LYS A 46 25.335 28.777 25.035 1.00 0.00 H new ATOM 0 HB2 LYS A 46 26.681 28.124 23.446 1.00 0.00 H new ATOM 0 HB3 LYS A 46 26.042 26.551 23.879 1.00 0.00 H new ATOM 0 HG2 LYS A 46 25.380 28.221 21.468 1.00 0.00 H new ATOM 0 HG3 LYS A 46 26.165 26.655 21.524 1.00 0.00 H new ATOM 0 HD2 LYS A 46 24.153 25.724 21.220 1.00 0.00 H new ATOM 0 HD3 LYS A 46 23.742 26.227 22.848 1.00 0.00 H new ATOM 0 HE2 LYS A 46 23.339 28.574 21.435 1.00 0.00 H new ATOM 0 HE3 LYS A 46 22.882 27.369 20.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 20.940 27.417 21.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 21.723 26.361 22.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 21.634 28.020 22.793 1.00 0.00 H new ATOM 637 N GLN A 47 24.563 30.307 23.239 1.00 0.00 N ATOM 638 CA GLN A 47 24.143 31.532 22.565 1.00 0.00 C ATOM 639 C GLN A 47 25.398 32.256 22.057 1.00 0.00 C ATOM 640 O GLN A 47 26.474 32.059 22.659 1.00 0.00 O ATOM 641 CB GLN A 47 23.366 32.441 23.535 1.00 0.00 C ATOM 642 CG GLN A 47 21.866 32.445 23.312 1.00 0.00 C ATOM 643 CD GLN A 47 21.146 33.567 24.055 1.00 0.00 C ATOM 644 OE1 GLN A 47 21.711 34.491 24.630 1.00 0.00 O ATOM 645 NE2 GLN A 47 19.841 33.518 24.098 1.00 0.00 N ATOM 0 H GLN A 47 25.581 30.288 23.294 1.00 0.00 H new ATOM 0 HA GLN A 47 23.485 31.288 21.731 1.00 0.00 H new ATOM 0 HB2 GLN A 47 23.570 32.122 24.557 1.00 0.00 H new ATOM 0 HB3 GLN A 47 23.740 33.460 23.439 1.00 0.00 H new ATOM 0 HG2 GLN A 47 21.665 32.539 22.245 1.00 0.00 H new ATOM 0 HG3 GLN A 47 21.456 31.487 23.631 1.00 0.00 H new ATOM 0 HE21 GLN A 47 19.343 32.761 23.629 1.00 0.00 H new ATOM 0 HE22 GLN A 47 19.320 34.237 24.601 1.00 0.00 H new TER 654 GLN A 47