USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 519 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 34 CYS SG : rot -120:sc= 0.149 USER MOD Set 1.2: A 37 CYS SG : rot -79:sc= 0.0713 USER MOD Set 1.3: A 54 CYS SG : rot 122:sc= -2.39! USER MOD Set 1.4: A 58 HIS : no HE2:sc= -1.82 K(o=-4,f=-11!) USER MOD Set 2.1: A 5 CYS SG : rot 121:sc= 2.05 USER MOD Set 2.2: A 8 CYS SG : rot 43:sc= 1.23 USER MOD Set 2.3: A 21 CYS SG : rot -79:sc= -0.88 USER MOD Set 2.4: A 24 CYS SG : rot -165:sc= -4.34! USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 GLN : amide:sc= -0.139 K(o=-0.14,f=-1.8!) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 10 HIS : no HD1:sc= -0.228 X(o=-0.23,f=-0.085) USER MOD Single : A 14 GLN : amide:sc= -2.32! K(o=-2.3!,f=-0.0089) USER MOD Single : A 16 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 18 HIS : no HD1:sc= -0.143 K(o=-0.14,f=-5.1!) USER MOD Single : A 23 SER OG : rot -170:sc= -1.31 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.0451 X(o=-0.045,f=-0.037) USER MOD Single : A 39 GLN : amide:sc= -0.0319 K(o=-0.032,f=-1.1) USER MOD Single : A 42 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.0013) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot 1:sc= 0.408 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0.895 K(o=0.89,f=-9.7e-05) USER MOD Single : A 56 HIS : no HE2:sc= -0.101 K(o=-0.1,f=-1.1) USER MOD Single : A 62 SER OG : rot -170:sc= 0.0329 USER MOD Single : A 63 LYS NZ :NH3+ -177:sc= 1.21 (180deg=1.11) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 33 N LEU A 3 62.318 -1.728 10.905 1.00 0.00 N ATOM 34 CA LEU A 3 63.070 -1.364 9.715 1.00 0.00 C ATOM 35 C LEU A 3 64.032 -0.231 10.063 1.00 0.00 C ATOM 36 O LEU A 3 64.030 0.256 11.193 1.00 0.00 O ATOM 37 CB LEU A 3 62.113 -0.947 8.587 1.00 0.00 C ATOM 38 CG LEU A 3 62.755 -0.757 7.210 1.00 0.00 C ATOM 39 CD1 LEU A 3 63.350 -2.064 6.706 1.00 0.00 C ATOM 40 CD2 LEU A 3 61.735 -0.219 6.218 1.00 0.00 C ATOM 0 HA LEU A 3 63.643 -2.222 9.364 1.00 0.00 H new ATOM 0 HB2 LEU A 3 61.330 -1.701 8.502 1.00 0.00 H new ATOM 0 HB3 LEU A 3 61.627 -0.014 8.873 1.00 0.00 H new ATOM 0 HG LEU A 3 63.562 -0.031 7.307 1.00 0.00 H new ATOM 0 HD11 LEU A 3 63.800 -1.905 5.726 1.00 0.00 H new ATOM 0 HD12 LEU A 3 64.112 -2.410 7.404 1.00 0.00 H new ATOM 0 HD13 LEU A 3 62.564 -2.815 6.626 1.00 0.00 H new ATOM 0 HD21 LEU A 3 62.208 -0.090 5.244 1.00 0.00 H new ATOM 0 HD22 LEU A 3 60.908 -0.923 6.129 1.00 0.00 H new ATOM 0 HD23 LEU A 3 61.358 0.742 6.569 1.00 0.00 H new ATOM 52 N HIS A 4 64.869 0.171 9.123 1.00 0.00 N ATOM 53 CA HIS A 4 65.788 1.277 9.359 1.00 0.00 C ATOM 54 C HIS A 4 65.702 2.291 8.236 1.00 0.00 C ATOM 55 O HIS A 4 65.421 1.941 7.090 1.00 0.00 O ATOM 56 CB HIS A 4 67.227 0.781 9.503 1.00 0.00 C ATOM 57 CG HIS A 4 67.431 -0.133 10.670 1.00 0.00 C ATOM 58 ND1 HIS A 4 67.481 -1.502 10.555 1.00 0.00 N ATOM 59 CD2 HIS A 4 67.594 0.137 11.984 1.00 0.00 C ATOM 60 CE1 HIS A 4 67.660 -2.036 11.748 1.00 0.00 C ATOM 61 NE2 HIS A 4 67.734 -1.063 12.634 1.00 0.00 N ATOM 0 H HIS A 4 64.934 -0.246 8.195 1.00 0.00 H new ATOM 0 HA HIS A 4 65.495 1.756 10.293 1.00 0.00 H new ATOM 0 HB2 HIS A 4 67.516 0.261 8.590 1.00 0.00 H new ATOM 0 HB3 HIS A 4 67.890 1.640 9.605 1.00 0.00 H new ATOM 0 HD2 HIS A 4 67.611 1.117 12.439 1.00 0.00 H new ATOM 0 HE1 HIS A 4 67.733 -3.092 11.962 1.00 0.00 H new ATOM 0 HE2 HIS A 4 67.873 -1.183 13.637 1.00 0.00 H new ATOM 70 N CYS A 5 65.929 3.549 8.572 1.00 0.00 N ATOM 71 CA CYS A 5 65.883 4.617 7.590 1.00 0.00 C ATOM 72 C CYS A 5 67.212 4.718 6.855 1.00 0.00 C ATOM 73 O CYS A 5 68.268 4.766 7.486 1.00 0.00 O ATOM 74 CB CYS A 5 65.599 5.955 8.272 1.00 0.00 C ATOM 75 SG CYS A 5 64.763 5.828 9.872 1.00 0.00 S ATOM 0 H CYS A 5 66.147 3.856 9.520 1.00 0.00 H new ATOM 0 HA CYS A 5 65.087 4.389 6.881 1.00 0.00 H new ATOM 0 HB2 CYS A 5 66.542 6.483 8.411 1.00 0.00 H new ATOM 0 HB3 CYS A 5 64.988 6.564 7.606 1.00 0.00 H new ATOM 0 HG CYS A 5 65.500 6.378 10.791 1.00 0.00 H new ATOM 80 N PRO A 6 67.186 4.732 5.515 1.00 0.00 N ATOM 81 CA PRO A 6 68.377 5.016 4.712 1.00 0.00 C ATOM 82 C PRO A 6 68.852 6.453 4.922 1.00 0.00 C ATOM 83 O PRO A 6 70.030 6.769 4.742 1.00 0.00 O ATOM 84 CB PRO A 6 67.906 4.810 3.264 1.00 0.00 C ATOM 85 CG PRO A 6 66.638 4.033 3.369 1.00 0.00 C ATOM 86 CD PRO A 6 66.017 4.430 4.677 1.00 0.00 C ATOM 0 HA PRO A 6 69.220 4.378 4.979 1.00 0.00 H new ATOM 0 HB2 PRO A 6 67.742 5.765 2.764 1.00 0.00 H new ATOM 0 HB3 PRO A 6 68.652 4.269 2.681 1.00 0.00 H new ATOM 0 HG2 PRO A 6 65.972 4.259 2.536 1.00 0.00 H new ATOM 0 HG3 PRO A 6 66.834 2.961 3.339 1.00 0.00 H new ATOM 0 HD2 PRO A 6 65.363 5.295 4.568 1.00 0.00 H new ATOM 0 HD3 PRO A 6 65.414 3.626 5.099 1.00 0.00 H new ATOM 94 N GLN A 7 67.915 7.315 5.303 1.00 0.00 N ATOM 95 CA GLN A 7 68.213 8.710 5.598 1.00 0.00 C ATOM 96 C GLN A 7 68.673 8.854 7.046 1.00 0.00 C ATOM 97 O GLN A 7 69.865 8.860 7.342 1.00 0.00 O ATOM 98 CB GLN A 7 66.968 9.574 5.386 1.00 0.00 C ATOM 99 CG GLN A 7 66.274 9.358 4.054 1.00 0.00 C ATOM 100 CD GLN A 7 64.814 9.773 4.097 1.00 0.00 C ATOM 101 OE1 GLN A 7 64.169 9.699 5.144 1.00 0.00 O ATOM 102 NE2 GLN A 7 64.279 10.197 2.964 1.00 0.00 N ATOM 0 H GLN A 7 66.932 7.067 5.415 1.00 0.00 H new ATOM 0 HA GLN A 7 69.005 9.040 4.926 1.00 0.00 H new ATOM 0 HB2 GLN A 7 66.259 9.371 6.188 1.00 0.00 H new ATOM 0 HB3 GLN A 7 67.251 10.623 5.469 1.00 0.00 H new ATOM 0 HG2 GLN A 7 66.790 9.927 3.281 1.00 0.00 H new ATOM 0 HG3 GLN A 7 66.344 8.306 3.776 1.00 0.00 H new ATOM 0 HE21 GLN A 7 64.847 10.244 2.118 1.00 0.00 H new ATOM 0 HE22 GLN A 7 63.299 10.477 2.936 1.00 0.00 H new ATOM 111 N CYS A 8 67.695 8.914 7.942 1.00 0.00 N ATOM 112 CA CYS A 8 67.932 9.116 9.360 1.00 0.00 C ATOM 113 C CYS A 8 67.972 7.770 10.061 1.00 0.00 C ATOM 114 O CYS A 8 67.032 7.393 10.777 1.00 0.00 O ATOM 115 CB CYS A 8 66.832 9.999 9.950 1.00 0.00 C ATOM 116 SG CYS A 8 65.157 9.396 9.610 1.00 0.00 S ATOM 0 H CYS A 8 66.708 8.823 7.699 1.00 0.00 H new ATOM 0 HA CYS A 8 68.889 9.617 9.504 1.00 0.00 H new ATOM 0 HB2 CYS A 8 66.972 10.068 11.029 1.00 0.00 H new ATOM 0 HB3 CYS A 8 66.934 11.008 9.550 1.00 0.00 H new ATOM 0 HG CYS A 8 65.119 8.107 9.771 1.00 0.00 H new ATOM 121 N GLN A 9 69.033 7.042 9.756 1.00 0.00 N ATOM 122 CA GLN A 9 69.296 5.690 10.263 1.00 0.00 C ATOM 123 C GLN A 9 68.882 5.510 11.722 1.00 0.00 C ATOM 124 O GLN A 9 69.564 5.968 12.637 1.00 0.00 O ATOM 125 CB GLN A 9 70.783 5.369 10.105 1.00 0.00 C ATOM 126 CG GLN A 9 71.304 5.604 8.697 1.00 0.00 C ATOM 127 CD GLN A 9 72.774 5.272 8.552 1.00 0.00 C ATOM 128 OE1 GLN A 9 73.294 4.376 9.221 1.00 0.00 O ATOM 129 NE2 GLN A 9 73.455 5.996 7.680 1.00 0.00 N ATOM 0 H GLN A 9 69.763 7.379 9.129 1.00 0.00 H new ATOM 0 HA GLN A 9 68.690 5.001 9.675 1.00 0.00 H new ATOM 0 HB2 GLN A 9 71.355 5.980 10.803 1.00 0.00 H new ATOM 0 HB3 GLN A 9 70.954 4.328 10.379 1.00 0.00 H new ATOM 0 HG2 GLN A 9 70.729 4.999 7.996 1.00 0.00 H new ATOM 0 HG3 GLN A 9 71.143 6.647 8.424 1.00 0.00 H new ATOM 0 HE21 GLN A 9 72.985 6.728 7.147 1.00 0.00 H new ATOM 0 HE22 GLN A 9 74.450 5.823 7.540 1.00 0.00 H new ATOM 138 N HIS A 10 67.753 4.841 11.906 1.00 0.00 N ATOM 139 CA HIS A 10 67.207 4.496 13.214 1.00 0.00 C ATOM 140 C HIS A 10 66.055 3.529 12.995 1.00 0.00 C ATOM 141 O HIS A 10 65.735 3.215 11.848 1.00 0.00 O ATOM 142 CB HIS A 10 66.712 5.730 13.983 1.00 0.00 C ATOM 143 CG HIS A 10 67.692 6.279 14.980 1.00 0.00 C ATOM 144 ND1 HIS A 10 68.001 5.639 16.159 1.00 0.00 N ATOM 145 CD2 HIS A 10 68.424 7.419 14.975 1.00 0.00 C ATOM 146 CE1 HIS A 10 68.874 6.361 16.837 1.00 0.00 C ATOM 147 NE2 HIS A 10 69.148 7.446 16.139 1.00 0.00 N ATOM 0 H HIS A 10 67.176 4.514 11.131 1.00 0.00 H new ATOM 0 HA HIS A 10 67.995 4.045 13.817 1.00 0.00 H new ATOM 0 HB2 HIS A 10 66.465 6.513 13.267 1.00 0.00 H new ATOM 0 HB3 HIS A 10 65.790 5.472 14.504 1.00 0.00 H new ATOM 0 HD2 HIS A 10 68.435 8.168 14.197 1.00 0.00 H new ATOM 0 HE1 HIS A 10 69.293 6.106 17.799 1.00 0.00 H new ATOM 0 HE2 HIS A 10 69.793 8.185 16.419 1.00 0.00 H new ATOM 156 N VAL A 11 65.429 3.074 14.068 1.00 0.00 N ATOM 157 CA VAL A 11 64.353 2.097 13.955 1.00 0.00 C ATOM 158 C VAL A 11 63.081 2.716 13.365 1.00 0.00 C ATOM 159 O VAL A 11 62.696 3.849 13.692 1.00 0.00 O ATOM 160 CB VAL A 11 64.032 1.436 15.319 1.00 0.00 C ATOM 161 CG1 VAL A 11 63.423 2.432 16.292 1.00 0.00 C ATOM 162 CG2 VAL A 11 63.110 0.242 15.136 1.00 0.00 C ATOM 0 H VAL A 11 65.644 3.362 15.023 1.00 0.00 H new ATOM 0 HA VAL A 11 64.709 1.326 13.272 1.00 0.00 H new ATOM 0 HB VAL A 11 64.974 1.087 15.743 1.00 0.00 H new ATOM 0 HG11 VAL A 11 63.211 1.933 17.238 1.00 0.00 H new ATOM 0 HG12 VAL A 11 64.124 3.250 16.462 1.00 0.00 H new ATOM 0 HG13 VAL A 11 62.497 2.828 15.875 1.00 0.00 H new ATOM 0 HG21 VAL A 11 62.898 -0.206 16.107 1.00 0.00 H new ATOM 0 HG22 VAL A 11 62.178 0.569 14.676 1.00 0.00 H new ATOM 0 HG23 VAL A 11 63.592 -0.495 14.493 1.00 0.00 H new ATOM 172 N LEU A 12 62.463 1.970 12.464 1.00 0.00 N ATOM 173 CA LEU A 12 61.180 2.330 11.889 1.00 0.00 C ATOM 174 C LEU A 12 60.118 1.354 12.352 1.00 0.00 C ATOM 175 O LEU A 12 60.248 0.145 12.144 1.00 0.00 O ATOM 176 CB LEU A 12 61.244 2.311 10.360 1.00 0.00 C ATOM 177 CG LEU A 12 62.049 3.437 9.718 1.00 0.00 C ATOM 178 CD1 LEU A 12 62.164 3.221 8.218 1.00 0.00 C ATOM 179 CD2 LEU A 12 61.396 4.777 10.010 1.00 0.00 C ATOM 0 H LEU A 12 62.841 1.092 12.109 1.00 0.00 H new ATOM 0 HA LEU A 12 60.930 3.338 12.220 1.00 0.00 H new ATOM 0 HB2 LEU A 12 61.670 1.359 10.044 1.00 0.00 H new ATOM 0 HB3 LEU A 12 60.226 2.349 9.971 1.00 0.00 H new ATOM 0 HG LEU A 12 63.052 3.435 10.144 1.00 0.00 H new ATOM 0 HD11 LEU A 12 62.741 4.033 7.777 1.00 0.00 H new ATOM 0 HD12 LEU A 12 62.665 2.273 8.024 1.00 0.00 H new ATOM 0 HD13 LEU A 12 61.168 3.202 7.776 1.00 0.00 H new ATOM 0 HD21 LEU A 12 61.978 5.574 9.547 1.00 0.00 H new ATOM 0 HD22 LEU A 12 60.384 4.785 9.605 1.00 0.00 H new ATOM 0 HD23 LEU A 12 61.356 4.935 11.088 1.00 0.00 H new ATOM 191 N ASP A 13 59.081 1.868 12.985 1.00 0.00 N ATOM 192 CA ASP A 13 57.960 1.038 13.383 1.00 0.00 C ATOM 193 C ASP A 13 56.820 1.252 12.403 1.00 0.00 C ATOM 194 O ASP A 13 56.271 2.350 12.297 1.00 0.00 O ATOM 195 CB ASP A 13 57.515 1.349 14.814 1.00 0.00 C ATOM 196 CG ASP A 13 56.472 0.368 15.313 1.00 0.00 C ATOM 197 OD1 ASP A 13 56.801 -0.832 15.455 1.00 0.00 O ATOM 198 OD2 ASP A 13 55.330 0.789 15.567 1.00 0.00 O ATOM 0 H ASP A 13 58.991 2.853 13.234 1.00 0.00 H new ATOM 0 HA ASP A 13 58.267 -0.008 13.366 1.00 0.00 H new ATOM 0 HB2 ASP A 13 58.381 1.325 15.476 1.00 0.00 H new ATOM 0 HB3 ASP A 13 57.110 2.360 14.856 1.00 0.00 H new ATOM 203 N GLN A 14 56.507 0.212 11.651 1.00 0.00 N ATOM 204 CA GLN A 14 55.537 0.317 10.577 1.00 0.00 C ATOM 205 C GLN A 14 54.453 -0.747 10.705 1.00 0.00 C ATOM 206 O GLN A 14 54.683 -1.928 10.430 1.00 0.00 O ATOM 207 CB GLN A 14 56.251 0.209 9.224 1.00 0.00 C ATOM 208 CG GLN A 14 57.195 -0.984 9.124 1.00 0.00 C ATOM 209 CD GLN A 14 57.995 -1.007 7.837 1.00 0.00 C ATOM 210 OE1 GLN A 14 58.341 -2.068 7.327 1.00 0.00 O ATOM 211 NE2 GLN A 14 58.308 0.163 7.307 1.00 0.00 N ATOM 0 H GLN A 14 56.912 -0.717 11.765 1.00 0.00 H new ATOM 0 HA GLN A 14 55.048 1.289 10.644 1.00 0.00 H new ATOM 0 HB2 GLN A 14 55.504 0.138 8.433 1.00 0.00 H new ATOM 0 HB3 GLN A 14 56.816 1.124 9.047 1.00 0.00 H new ATOM 0 HG2 GLN A 14 57.881 -0.968 9.971 1.00 0.00 H new ATOM 0 HG3 GLN A 14 56.616 -1.904 9.201 1.00 0.00 H new ATOM 0 HE21 GLN A 14 58.003 1.025 7.759 1.00 0.00 H new ATOM 0 HE22 GLN A 14 58.854 0.203 6.447 1.00 0.00 H new ATOM 220 N ASP A 15 53.276 -0.331 11.144 1.00 0.00 N ATOM 221 CA ASP A 15 52.153 -1.246 11.260 1.00 0.00 C ATOM 222 C ASP A 15 51.229 -1.136 10.049 1.00 0.00 C ATOM 223 O ASP A 15 51.238 -2.003 9.175 1.00 0.00 O ATOM 224 CB ASP A 15 51.368 -1.035 12.571 1.00 0.00 C ATOM 225 CG ASP A 15 51.207 0.421 12.989 1.00 0.00 C ATOM 226 OD1 ASP A 15 50.832 1.266 12.149 1.00 0.00 O ATOM 227 OD2 ASP A 15 51.427 0.719 14.184 1.00 0.00 O ATOM 0 H ASP A 15 53.074 0.629 11.424 1.00 0.00 H new ATOM 0 HA ASP A 15 52.564 -2.255 11.288 1.00 0.00 H new ATOM 0 HB2 ASP A 15 50.379 -1.479 12.462 1.00 0.00 H new ATOM 0 HB3 ASP A 15 51.873 -1.575 13.372 1.00 0.00 H new ATOM 232 N ASN A 16 50.463 -0.061 9.982 1.00 0.00 N ATOM 233 CA ASN A 16 49.459 0.099 8.942 1.00 0.00 C ATOM 234 C ASN A 16 49.752 1.310 8.064 1.00 0.00 C ATOM 235 O ASN A 16 49.573 2.455 8.490 1.00 0.00 O ATOM 236 CB ASN A 16 48.064 0.243 9.565 1.00 0.00 C ATOM 237 CG ASN A 16 47.640 -0.980 10.358 1.00 0.00 C ATOM 238 OD1 ASN A 16 48.015 -2.108 10.043 1.00 0.00 O ATOM 239 ND2 ASN A 16 46.852 -0.765 11.402 1.00 0.00 N ATOM 0 H ASN A 16 50.517 0.718 10.638 1.00 0.00 H new ATOM 0 HA ASN A 16 49.489 -0.794 8.317 1.00 0.00 H new ATOM 0 HB2 ASN A 16 48.052 1.115 10.219 1.00 0.00 H new ATOM 0 HB3 ASN A 16 47.336 0.427 8.775 1.00 0.00 H new ATOM 0 HD21 ASN A 16 46.537 -1.549 11.973 1.00 0.00 H new ATOM 0 HD22 ASN A 16 46.561 0.185 11.634 1.00 0.00 H new ATOM 246 N GLY A 17 50.242 1.052 6.858 1.00 0.00 N ATOM 247 CA GLY A 17 50.340 2.089 5.846 1.00 0.00 C ATOM 248 C GLY A 17 51.593 2.943 5.940 1.00 0.00 C ATOM 249 O GLY A 17 52.296 3.130 4.951 1.00 0.00 O ATOM 0 H GLY A 17 50.576 0.135 6.560 1.00 0.00 H new ATOM 0 HA2 GLY A 17 50.306 1.623 4.861 1.00 0.00 H new ATOM 0 HA3 GLY A 17 49.467 2.737 5.922 1.00 0.00 H new ATOM 253 N HIS A 18 51.871 3.473 7.119 1.00 0.00 N ATOM 254 CA HIS A 18 52.976 4.407 7.283 1.00 0.00 C ATOM 255 C HIS A 18 54.105 3.822 8.112 1.00 0.00 C ATOM 256 O HIS A 18 53.889 2.963 8.968 1.00 0.00 O ATOM 257 CB HIS A 18 52.493 5.713 7.918 1.00 0.00 C ATOM 258 CG HIS A 18 51.872 6.658 6.941 1.00 0.00 C ATOM 259 ND1 HIS A 18 50.563 7.077 7.014 1.00 0.00 N ATOM 260 CD2 HIS A 18 52.400 7.276 5.864 1.00 0.00 C ATOM 261 CE1 HIS A 18 50.313 7.908 6.022 1.00 0.00 C ATOM 262 NE2 HIS A 18 51.412 8.050 5.308 1.00 0.00 N ATOM 0 H HIS A 18 51.351 3.275 7.974 1.00 0.00 H new ATOM 0 HA HIS A 18 53.365 4.611 6.285 1.00 0.00 H new ATOM 0 HB2 HIS A 18 51.768 5.482 8.698 1.00 0.00 H new ATOM 0 HB3 HIS A 18 53.336 6.206 8.402 1.00 0.00 H new ATOM 0 HD2 HIS A 18 53.414 7.179 5.505 1.00 0.00 H new ATOM 0 HE1 HIS A 18 49.367 8.391 5.827 1.00 0.00 H new ATOM 0 HE2 HIS A 18 51.512 8.637 4.480 1.00 0.00 H new ATOM 271 N ALA A 19 55.311 4.298 7.841 1.00 0.00 N ATOM 272 CA ALA A 19 56.481 3.930 8.614 1.00 0.00 C ATOM 273 C ALA A 19 56.949 5.122 9.431 1.00 0.00 C ATOM 274 O ALA A 19 57.465 6.097 8.883 1.00 0.00 O ATOM 275 CB ALA A 19 57.597 3.444 7.701 1.00 0.00 C ATOM 0 H ALA A 19 55.503 4.949 7.080 1.00 0.00 H new ATOM 0 HA ALA A 19 56.215 3.116 9.288 1.00 0.00 H new ATOM 0 HB1 ALA A 19 58.466 3.173 8.301 1.00 0.00 H new ATOM 0 HB2 ALA A 19 57.256 2.573 7.142 1.00 0.00 H new ATOM 0 HB3 ALA A 19 57.870 4.238 7.006 1.00 0.00 H new ATOM 281 N ARG A 20 56.750 5.059 10.733 1.00 0.00 N ATOM 282 CA ARG A 20 57.123 6.163 11.594 1.00 0.00 C ATOM 283 C ARG A 20 58.468 5.905 12.258 1.00 0.00 C ATOM 284 O ARG A 20 58.711 4.832 12.814 1.00 0.00 O ATOM 285 CB ARG A 20 56.039 6.425 12.648 1.00 0.00 C ATOM 286 CG ARG A 20 56.467 7.409 13.727 1.00 0.00 C ATOM 287 CD ARG A 20 55.280 7.973 14.487 1.00 0.00 C ATOM 288 NE ARG A 20 54.566 8.988 13.715 1.00 0.00 N ATOM 289 CZ ARG A 20 54.474 10.270 14.079 1.00 0.00 C ATOM 290 NH1 ARG A 20 54.990 10.677 15.237 1.00 0.00 N ATOM 291 NH2 ARG A 20 53.852 11.139 13.291 1.00 0.00 N ATOM 0 H ARG A 20 56.335 4.261 11.215 1.00 0.00 H new ATOM 0 HA ARG A 20 57.217 7.055 10.974 1.00 0.00 H new ATOM 0 HB2 ARG A 20 55.146 6.807 12.153 1.00 0.00 H new ATOM 0 HB3 ARG A 20 55.764 5.480 13.117 1.00 0.00 H new ATOM 0 HG2 ARG A 20 57.141 6.911 14.425 1.00 0.00 H new ATOM 0 HG3 ARG A 20 57.027 8.226 13.271 1.00 0.00 H new ATOM 0 HD2 ARG A 20 54.596 7.164 14.742 1.00 0.00 H new ATOM 0 HD3 ARG A 20 55.624 8.407 15.426 1.00 0.00 H new ATOM 0 HE ARG A 20 54.112 8.701 12.848 1.00 0.00 H new ATOM 0 HH11 ARG A 20 55.458 10.009 15.850 1.00 0.00 H new ATOM 0 HH12 ARG A 20 54.918 11.657 15.511 1.00 0.00 H new ATOM 0 HH21 ARG A 20 53.445 10.827 12.409 1.00 0.00 H new ATOM 0 HH22 ARG A 20 53.781 12.118 13.568 1.00 0.00 H new ATOM 305 N CYS A 21 59.346 6.891 12.164 1.00 0.00 N ATOM 306 CA CYS A 21 60.617 6.857 12.859 1.00 0.00 C ATOM 307 C CYS A 21 60.388 6.935 14.360 1.00 0.00 C ATOM 308 O CYS A 21 60.204 8.024 14.902 1.00 0.00 O ATOM 309 CB CYS A 21 61.488 8.032 12.426 1.00 0.00 C ATOM 310 SG CYS A 21 62.038 7.993 10.704 1.00 0.00 S ATOM 0 H CYS A 21 59.196 7.732 11.606 1.00 0.00 H new ATOM 0 HA CYS A 21 61.122 5.923 12.612 1.00 0.00 H new ATOM 0 HB2 CYS A 21 60.933 8.955 12.592 1.00 0.00 H new ATOM 0 HB3 CYS A 21 62.367 8.068 13.070 1.00 0.00 H new ATOM 0 HG CYS A 21 63.043 7.177 10.588 1.00 0.00 H new ATOM 315 N ARG A 22 60.399 5.786 15.025 1.00 0.00 N ATOM 316 CA ARG A 22 60.074 5.723 16.447 1.00 0.00 C ATOM 317 C ARG A 22 61.069 6.541 17.269 1.00 0.00 C ATOM 318 O ARG A 22 60.694 7.208 18.231 1.00 0.00 O ATOM 319 CB ARG A 22 60.064 4.269 16.926 1.00 0.00 C ATOM 320 CG ARG A 22 59.153 4.023 18.121 1.00 0.00 C ATOM 321 CD ARG A 22 57.689 4.183 17.739 1.00 0.00 C ATOM 322 NE ARG A 22 56.785 3.906 18.856 1.00 0.00 N ATOM 323 CZ ARG A 22 55.585 3.338 18.717 1.00 0.00 C ATOM 324 NH1 ARG A 22 55.172 2.933 17.523 1.00 0.00 N ATOM 325 NH2 ARG A 22 54.804 3.164 19.775 1.00 0.00 N ATOM 0 H ARG A 22 60.629 4.886 14.604 1.00 0.00 H new ATOM 0 HA ARG A 22 59.080 6.148 16.588 1.00 0.00 H new ATOM 0 HB2 ARG A 22 59.750 3.627 16.103 1.00 0.00 H new ATOM 0 HB3 ARG A 22 61.080 3.976 17.189 1.00 0.00 H new ATOM 0 HG2 ARG A 22 59.322 3.019 18.510 1.00 0.00 H new ATOM 0 HG3 ARG A 22 59.401 4.721 18.921 1.00 0.00 H new ATOM 0 HD2 ARG A 22 57.519 5.199 17.381 1.00 0.00 H new ATOM 0 HD3 ARG A 22 57.457 3.511 16.913 1.00 0.00 H new ATOM 0 HE ARG A 22 57.090 4.162 19.795 1.00 0.00 H new ATOM 0 HH11 ARG A 22 55.772 3.055 16.707 1.00 0.00 H new ATOM 0 HH12 ARG A 22 54.254 2.499 17.421 1.00 0.00 H new ATOM 0 HH21 ARG A 22 55.120 3.464 20.697 1.00 0.00 H new ATOM 0 HH22 ARG A 22 53.887 2.730 19.666 1.00 0.00 H new ATOM 339 N SER A 23 62.337 6.492 16.881 1.00 0.00 N ATOM 340 CA SER A 23 63.374 7.235 17.584 1.00 0.00 C ATOM 341 C SER A 23 63.547 8.637 16.996 1.00 0.00 C ATOM 342 O SER A 23 63.660 9.618 17.729 1.00 0.00 O ATOM 343 CB SER A 23 64.698 6.477 17.500 1.00 0.00 C ATOM 344 OG SER A 23 64.486 5.080 17.590 1.00 0.00 O ATOM 0 H SER A 23 62.671 5.947 16.086 1.00 0.00 H new ATOM 0 HA SER A 23 63.071 7.337 18.626 1.00 0.00 H new ATOM 0 HB2 SER A 23 65.198 6.713 16.561 1.00 0.00 H new ATOM 0 HB3 SER A 23 65.359 6.801 18.304 1.00 0.00 H new ATOM 0 HG SER A 23 65.347 4.624 17.693 1.00 0.00 H new ATOM 350 N CYS A 24 63.559 8.726 15.665 1.00 0.00 N ATOM 351 CA CYS A 24 63.844 9.989 14.985 1.00 0.00 C ATOM 352 C CYS A 24 62.743 11.019 15.248 1.00 0.00 C ATOM 353 O CYS A 24 63.024 12.192 15.499 1.00 0.00 O ATOM 354 CB CYS A 24 63.983 9.771 13.473 1.00 0.00 C ATOM 355 SG CYS A 24 64.790 8.217 12.983 1.00 0.00 S ATOM 0 H CYS A 24 63.375 7.942 15.039 1.00 0.00 H new ATOM 0 HA CYS A 24 64.785 10.369 15.383 1.00 0.00 H new ATOM 0 HB2 CYS A 24 62.990 9.802 13.025 1.00 0.00 H new ATOM 0 HB3 CYS A 24 64.548 10.603 13.053 1.00 0.00 H new ATOM 0 HG CYS A 24 65.135 8.283 11.731 1.00 0.00 H new ATOM 360 N GLY A 25 61.492 10.572 15.208 1.00 0.00 N ATOM 361 CA GLY A 25 60.372 11.484 15.355 1.00 0.00 C ATOM 362 C GLY A 25 59.780 11.883 14.015 1.00 0.00 C ATOM 363 O GLY A 25 58.824 12.655 13.950 1.00 0.00 O ATOM 0 H GLY A 25 61.233 9.594 15.076 1.00 0.00 H new ATOM 0 HA2 GLY A 25 59.601 11.015 15.966 1.00 0.00 H new ATOM 0 HA3 GLY A 25 60.700 12.377 15.886 1.00 0.00 H new ATOM 367 N GLU A 26 60.353 11.346 12.945 1.00 0.00 N ATOM 368 CA GLU A 26 59.907 11.659 11.591 1.00 0.00 C ATOM 369 C GLU A 26 58.851 10.662 11.128 1.00 0.00 C ATOM 370 O GLU A 26 58.676 9.602 11.733 1.00 0.00 O ATOM 371 CB GLU A 26 61.090 11.623 10.618 1.00 0.00 C ATOM 372 CG GLU A 26 62.296 12.430 11.069 1.00 0.00 C ATOM 373 CD GLU A 26 61.970 13.886 11.323 1.00 0.00 C ATOM 374 OE1 GLU A 26 61.499 14.567 10.390 1.00 0.00 O ATOM 375 OE2 GLU A 26 62.201 14.358 12.454 1.00 0.00 O ATOM 0 H GLU A 26 61.131 10.688 12.988 1.00 0.00 H new ATOM 0 HA GLU A 26 59.475 12.660 11.603 1.00 0.00 H new ATOM 0 HB2 GLU A 26 61.395 10.587 10.473 1.00 0.00 H new ATOM 0 HB3 GLU A 26 60.760 11.996 9.649 1.00 0.00 H new ATOM 0 HG2 GLU A 26 62.701 11.990 11.980 1.00 0.00 H new ATOM 0 HG3 GLU A 26 63.075 12.365 10.309 1.00 0.00 H new ATOM 382 N PHE A 27 58.163 10.993 10.048 1.00 0.00 N ATOM 383 CA PHE A 27 57.174 10.101 9.469 1.00 0.00 C ATOM 384 C PHE A 27 57.490 9.857 7.997 1.00 0.00 C ATOM 385 O PHE A 27 57.677 10.800 7.226 1.00 0.00 O ATOM 386 CB PHE A 27 55.753 10.665 9.645 1.00 0.00 C ATOM 387 CG PHE A 27 55.536 12.028 9.039 1.00 0.00 C ATOM 388 CD1 PHE A 27 55.953 13.176 9.697 1.00 0.00 C ATOM 389 CD2 PHE A 27 54.906 12.159 7.809 1.00 0.00 C ATOM 390 CE1 PHE A 27 55.751 14.424 9.140 1.00 0.00 C ATOM 391 CE2 PHE A 27 54.703 13.405 7.247 1.00 0.00 C ATOM 392 CZ PHE A 27 55.125 14.540 7.915 1.00 0.00 C ATOM 0 H PHE A 27 58.273 11.878 9.553 1.00 0.00 H new ATOM 0 HA PHE A 27 57.215 9.147 9.995 1.00 0.00 H new ATOM 0 HB2 PHE A 27 55.043 9.968 9.201 1.00 0.00 H new ATOM 0 HB3 PHE A 27 55.526 10.716 10.710 1.00 0.00 H new ATOM 0 HD1 PHE A 27 56.442 13.093 10.657 1.00 0.00 H new ATOM 0 HD2 PHE A 27 54.570 11.276 7.285 1.00 0.00 H new ATOM 0 HE1 PHE A 27 56.083 15.309 9.663 1.00 0.00 H new ATOM 0 HE2 PHE A 27 54.215 13.492 6.287 1.00 0.00 H new ATOM 0 HZ PHE A 27 54.965 15.515 7.479 1.00 0.00 H new ATOM 402 N ILE A 28 57.576 8.592 7.619 1.00 0.00 N ATOM 403 CA ILE A 28 57.920 8.225 6.254 1.00 0.00 C ATOM 404 C ILE A 28 56.696 7.692 5.514 1.00 0.00 C ATOM 405 O ILE A 28 55.915 6.906 6.060 1.00 0.00 O ATOM 406 CB ILE A 28 59.052 7.170 6.227 1.00 0.00 C ATOM 407 CG1 ILE A 28 60.316 7.738 6.880 1.00 0.00 C ATOM 408 CG2 ILE A 28 59.344 6.718 4.801 1.00 0.00 C ATOM 409 CD1 ILE A 28 61.488 6.780 6.884 1.00 0.00 C ATOM 0 H ILE A 28 57.412 7.800 8.240 1.00 0.00 H new ATOM 0 HA ILE A 28 58.275 9.124 5.750 1.00 0.00 H new ATOM 0 HB ILE A 28 58.723 6.299 6.794 1.00 0.00 H new ATOM 0 HG12 ILE A 28 60.606 8.649 6.356 1.00 0.00 H new ATOM 0 HG13 ILE A 28 60.087 8.020 7.908 1.00 0.00 H new ATOM 0 HG21 ILE A 28 60.143 5.977 4.811 1.00 0.00 H new ATOM 0 HG22 ILE A 28 58.446 6.278 4.368 1.00 0.00 H new ATOM 0 HG23 ILE A 28 59.652 7.576 4.203 1.00 0.00 H new ATOM 0 HD11 ILE A 28 62.344 7.255 7.363 1.00 0.00 H new ATOM 0 HD12 ILE A 28 61.219 5.878 7.434 1.00 0.00 H new ATOM 0 HD13 ILE A 28 61.746 6.516 5.858 1.00 0.00 H new ATOM 421 N GLU A 29 56.529 8.137 4.277 1.00 0.00 N ATOM 422 CA GLU A 29 55.418 7.706 3.447 1.00 0.00 C ATOM 423 C GLU A 29 55.842 6.515 2.590 1.00 0.00 C ATOM 424 O GLU A 29 57.018 6.391 2.231 1.00 0.00 O ATOM 425 CB GLU A 29 54.946 8.869 2.564 1.00 0.00 C ATOM 426 CG GLU A 29 53.766 8.530 1.667 1.00 0.00 C ATOM 427 CD GLU A 29 52.554 8.067 2.445 1.00 0.00 C ATOM 428 OE1 GLU A 29 52.453 6.860 2.735 1.00 0.00 O ATOM 429 OE2 GLU A 29 51.696 8.909 2.779 1.00 0.00 O ATOM 0 H GLU A 29 57.156 8.802 3.825 1.00 0.00 H new ATOM 0 HA GLU A 29 54.589 7.396 4.084 1.00 0.00 H new ATOM 0 HB2 GLU A 29 54.673 9.709 3.203 1.00 0.00 H new ATOM 0 HB3 GLU A 29 55.778 9.199 1.942 1.00 0.00 H new ATOM 0 HG2 GLU A 29 53.500 9.407 1.077 1.00 0.00 H new ATOM 0 HG3 GLU A 29 54.061 7.750 0.965 1.00 0.00 H new ATOM 436 N MET A 30 54.893 5.645 2.271 1.00 0.00 N ATOM 437 CA MET A 30 55.178 4.466 1.469 1.00 0.00 C ATOM 438 C MET A 30 54.727 4.651 0.029 1.00 0.00 C ATOM 439 O MET A 30 53.877 5.495 -0.275 1.00 0.00 O ATOM 440 CB MET A 30 54.523 3.218 2.062 1.00 0.00 C ATOM 441 CG MET A 30 55.354 2.557 3.144 1.00 0.00 C ATOM 442 SD MET A 30 54.651 0.991 3.696 1.00 0.00 S ATOM 443 CE MET A 30 55.986 0.362 4.708 1.00 0.00 C ATOM 0 H MET A 30 53.918 5.735 2.557 1.00 0.00 H new ATOM 0 HA MET A 30 56.259 4.329 1.478 1.00 0.00 H new ATOM 0 HB2 MET A 30 53.551 3.488 2.475 1.00 0.00 H new ATOM 0 HB3 MET A 30 54.341 2.498 1.264 1.00 0.00 H new ATOM 0 HG2 MET A 30 56.363 2.386 2.769 1.00 0.00 H new ATOM 0 HG3 MET A 30 55.440 3.233 3.995 1.00 0.00 H new ATOM 0 HE1 MET A 30 55.703 -0.605 5.123 1.00 0.00 H new ATOM 0 HE2 MET A 30 56.882 0.247 4.098 1.00 0.00 H new ATOM 0 HE3 MET A 30 56.187 1.060 5.520 1.00 0.00 H new ATOM 453 N LYS A 31 55.311 3.854 -0.846 1.00 0.00 N ATOM 454 CA LYS A 31 55.034 3.909 -2.267 1.00 0.00 C ATOM 455 C LYS A 31 54.740 2.503 -2.779 1.00 0.00 C ATOM 456 O LYS A 31 55.632 1.653 -2.828 1.00 0.00 O ATOM 457 CB LYS A 31 56.245 4.503 -2.989 1.00 0.00 C ATOM 458 CG LYS A 31 56.030 4.813 -4.462 1.00 0.00 C ATOM 459 CD LYS A 31 57.339 5.212 -5.133 1.00 0.00 C ATOM 460 CE LYS A 31 58.002 6.385 -4.426 1.00 0.00 C ATOM 461 NZ LYS A 31 59.356 6.675 -4.969 1.00 0.00 N ATOM 0 H LYS A 31 55.997 3.145 -0.587 1.00 0.00 H new ATOM 0 HA LYS A 31 54.165 4.538 -2.458 1.00 0.00 H new ATOM 0 HB2 LYS A 31 56.538 5.421 -2.480 1.00 0.00 H new ATOM 0 HB3 LYS A 31 57.080 3.808 -2.898 1.00 0.00 H new ATOM 0 HG2 LYS A 31 55.611 3.940 -4.964 1.00 0.00 H new ATOM 0 HG3 LYS A 31 55.304 5.619 -4.565 1.00 0.00 H new ATOM 0 HD2 LYS A 31 58.019 4.360 -5.139 1.00 0.00 H new ATOM 0 HD3 LYS A 31 57.149 5.475 -6.173 1.00 0.00 H new ATOM 0 HE2 LYS A 31 57.374 7.270 -4.528 1.00 0.00 H new ATOM 0 HE3 LYS A 31 58.078 6.169 -3.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 59.770 7.481 -4.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 59.964 5.840 -4.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 59.282 6.907 -5.980 1.00 0.00 H new ATOM 475 N ALA A 32 53.486 2.253 -3.126 1.00 0.00 N ATOM 476 CA ALA A 32 53.066 0.939 -3.597 1.00 0.00 C ATOM 477 C ALA A 32 53.448 0.736 -5.059 1.00 0.00 C ATOM 478 O ALA A 32 52.760 1.213 -5.965 1.00 0.00 O ATOM 479 CB ALA A 32 51.567 0.761 -3.408 1.00 0.00 C ATOM 0 H ALA A 32 52.738 2.945 -3.090 1.00 0.00 H new ATOM 0 HA ALA A 32 53.583 0.185 -3.004 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.270 -0.225 -3.765 1.00 0.00 H new ATOM 0 HB2 ALA A 32 51.320 0.854 -2.350 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.036 1.527 -3.973 1.00 0.00 H new ATOM 485 N LEU A 33 54.556 0.043 -5.283 1.00 0.00 N ATOM 486 CA LEU A 33 55.024 -0.222 -6.633 1.00 0.00 C ATOM 487 C LEU A 33 54.898 -1.699 -6.969 1.00 0.00 C ATOM 488 O LEU A 33 55.026 -2.565 -6.100 1.00 0.00 O ATOM 489 CB LEU A 33 56.482 0.219 -6.800 1.00 0.00 C ATOM 490 CG LEU A 33 56.744 1.717 -6.639 1.00 0.00 C ATOM 491 CD1 LEU A 33 58.216 2.023 -6.867 1.00 0.00 C ATOM 492 CD2 LEU A 33 55.881 2.521 -7.601 1.00 0.00 C ATOM 0 H LEU A 33 55.146 -0.345 -4.547 1.00 0.00 H new ATOM 0 HA LEU A 33 54.399 0.351 -7.318 1.00 0.00 H new ATOM 0 HB2 LEU A 33 57.090 -0.318 -6.072 1.00 0.00 H new ATOM 0 HB3 LEU A 33 56.824 -0.087 -7.789 1.00 0.00 H new ATOM 0 HG LEU A 33 56.480 2.004 -5.621 1.00 0.00 H new ATOM 0 HD11 LEU A 33 58.388 3.093 -6.749 1.00 0.00 H new ATOM 0 HD12 LEU A 33 58.818 1.477 -6.141 1.00 0.00 H new ATOM 0 HD13 LEU A 33 58.499 1.719 -7.875 1.00 0.00 H new ATOM 0 HD21 LEU A 33 56.083 3.584 -7.470 1.00 0.00 H new ATOM 0 HD22 LEU A 33 56.112 2.232 -8.626 1.00 0.00 H new ATOM 0 HD23 LEU A 33 54.829 2.324 -7.397 1.00 0.00 H new ATOM 504 N CYS A 34 54.634 -1.977 -8.233 1.00 0.00 N ATOM 505 CA CYS A 34 54.590 -3.343 -8.722 1.00 0.00 C ATOM 506 C CYS A 34 56.009 -3.864 -8.940 1.00 0.00 C ATOM 507 O CYS A 34 56.841 -3.168 -9.506 1.00 0.00 O ATOM 508 CB CYS A 34 53.799 -3.400 -10.029 1.00 0.00 C ATOM 509 SG CYS A 34 53.679 -5.052 -10.755 1.00 0.00 S ATOM 0 H CYS A 34 54.446 -1.270 -8.943 1.00 0.00 H new ATOM 0 HA CYS A 34 54.095 -3.973 -7.982 1.00 0.00 H new ATOM 0 HB2 CYS A 34 52.793 -3.022 -9.848 1.00 0.00 H new ATOM 0 HB3 CYS A 34 54.266 -2.731 -10.752 1.00 0.00 H new ATOM 0 HG CYS A 34 54.207 -5.043 -11.943 1.00 0.00 H new ATOM 514 N PRO A 35 56.307 -5.094 -8.510 1.00 0.00 N ATOM 515 CA PRO A 35 57.659 -5.663 -8.623 1.00 0.00 C ATOM 516 C PRO A 35 58.132 -5.832 -10.074 1.00 0.00 C ATOM 517 O PRO A 35 59.320 -5.691 -10.368 1.00 0.00 O ATOM 518 CB PRO A 35 57.533 -7.032 -7.943 1.00 0.00 C ATOM 519 CG PRO A 35 56.077 -7.348 -7.967 1.00 0.00 C ATOM 520 CD PRO A 35 55.369 -6.029 -7.864 1.00 0.00 C ATOM 0 HA PRO A 35 58.400 -5.005 -8.169 1.00 0.00 H new ATOM 0 HB2 PRO A 35 58.109 -7.790 -8.474 1.00 0.00 H new ATOM 0 HB3 PRO A 35 57.912 -7.001 -6.922 1.00 0.00 H new ATOM 0 HG2 PRO A 35 55.805 -7.867 -8.886 1.00 0.00 H new ATOM 0 HG3 PRO A 35 55.806 -8.003 -7.139 1.00 0.00 H new ATOM 0 HD2 PRO A 35 54.405 -6.048 -8.372 1.00 0.00 H new ATOM 0 HD3 PRO A 35 55.177 -5.755 -6.827 1.00 0.00 H new ATOM 528 N ASP A 36 57.201 -6.107 -10.982 1.00 0.00 N ATOM 529 CA ASP A 36 57.562 -6.449 -12.361 1.00 0.00 C ATOM 530 C ASP A 36 57.662 -5.233 -13.283 1.00 0.00 C ATOM 531 O ASP A 36 58.247 -5.328 -14.360 1.00 0.00 O ATOM 532 CB ASP A 36 56.582 -7.474 -12.952 1.00 0.00 C ATOM 533 CG ASP A 36 55.122 -7.095 -12.779 1.00 0.00 C ATOM 534 OD1 ASP A 36 54.733 -5.950 -13.107 1.00 0.00 O ATOM 535 OD2 ASP A 36 54.333 -7.938 -12.319 1.00 0.00 O ATOM 0 H ASP A 36 56.198 -6.101 -10.794 1.00 0.00 H new ATOM 0 HA ASP A 36 58.558 -6.888 -12.304 1.00 0.00 H new ATOM 0 HB2 ASP A 36 56.793 -7.594 -14.015 1.00 0.00 H new ATOM 0 HB3 ASP A 36 56.755 -8.442 -12.481 1.00 0.00 H new ATOM 540 N CYS A 37 57.102 -4.096 -12.887 1.00 0.00 N ATOM 541 CA CYS A 37 57.147 -2.912 -13.748 1.00 0.00 C ATOM 542 C CYS A 37 57.348 -1.615 -12.955 1.00 0.00 C ATOM 543 O CYS A 37 57.405 -0.533 -13.539 1.00 0.00 O ATOM 544 CB CYS A 37 55.879 -2.839 -14.617 1.00 0.00 C ATOM 545 SG CYS A 37 54.330 -3.245 -13.757 1.00 0.00 S ATOM 0 H CYS A 37 56.621 -3.965 -11.997 1.00 0.00 H new ATOM 0 HA CYS A 37 58.017 -3.014 -14.397 1.00 0.00 H new ATOM 0 HB2 CYS A 37 55.796 -1.832 -15.027 1.00 0.00 H new ATOM 0 HB3 CYS A 37 55.996 -3.518 -15.461 1.00 0.00 H new ATOM 0 HG CYS A 37 54.221 -4.536 -13.646 1.00 0.00 H new ATOM 550 N HIS A 38 57.489 -1.752 -11.632 1.00 0.00 N ATOM 551 CA HIS A 38 57.649 -0.629 -10.680 1.00 0.00 C ATOM 552 C HIS A 38 56.793 0.594 -11.014 1.00 0.00 C ATOM 553 O HIS A 38 57.191 1.728 -10.756 1.00 0.00 O ATOM 554 CB HIS A 38 59.130 -0.235 -10.493 1.00 0.00 C ATOM 555 CG HIS A 38 59.847 0.221 -11.728 1.00 0.00 C ATOM 556 ND1 HIS A 38 60.822 -0.534 -12.343 1.00 0.00 N ATOM 557 CD2 HIS A 38 59.754 1.367 -12.444 1.00 0.00 C ATOM 558 CE1 HIS A 38 61.293 0.126 -13.381 1.00 0.00 C ATOM 559 NE2 HIS A 38 60.662 1.279 -13.465 1.00 0.00 N ATOM 0 H HIS A 38 57.496 -2.664 -11.175 1.00 0.00 H new ATOM 0 HA HIS A 38 57.275 -1.010 -9.730 1.00 0.00 H new ATOM 0 HB2 HIS A 38 59.183 0.561 -9.751 1.00 0.00 H new ATOM 0 HB3 HIS A 38 59.664 -1.091 -10.081 1.00 0.00 H new ATOM 0 HD2 HIS A 38 59.089 2.195 -12.247 1.00 0.00 H new ATOM 0 HE1 HIS A 38 62.066 -0.220 -14.051 1.00 0.00 H new ATOM 0 HE2 HIS A 38 60.824 1.992 -14.176 1.00 0.00 H new ATOM 568 N GLN A 39 55.609 0.364 -11.561 1.00 0.00 N ATOM 569 CA GLN A 39 54.659 1.441 -11.761 1.00 0.00 C ATOM 570 C GLN A 39 53.718 1.513 -10.569 1.00 0.00 C ATOM 571 O GLN A 39 53.400 0.482 -9.964 1.00 0.00 O ATOM 572 CB GLN A 39 53.879 1.260 -13.066 1.00 0.00 C ATOM 573 CG GLN A 39 54.730 1.471 -14.311 1.00 0.00 C ATOM 574 CD GLN A 39 53.909 1.593 -15.581 1.00 0.00 C ATOM 575 OE1 GLN A 39 52.763 2.041 -15.556 1.00 0.00 O ATOM 576 NE2 GLN A 39 54.496 1.211 -16.705 1.00 0.00 N ATOM 0 H GLN A 39 55.287 -0.553 -11.871 1.00 0.00 H new ATOM 0 HA GLN A 39 55.205 2.381 -11.841 1.00 0.00 H new ATOM 0 HB2 GLN A 39 53.454 0.257 -13.091 1.00 0.00 H new ATOM 0 HB3 GLN A 39 53.044 1.960 -13.082 1.00 0.00 H new ATOM 0 HG2 GLN A 39 55.329 2.373 -14.185 1.00 0.00 H new ATOM 0 HG3 GLN A 39 55.425 0.638 -14.414 1.00 0.00 H new ATOM 0 HE21 GLN A 39 55.448 0.845 -16.684 1.00 0.00 H new ATOM 0 HE22 GLN A 39 53.996 1.283 -17.591 1.00 0.00 H new ATOM 585 N PRO A 40 53.299 2.732 -10.197 1.00 0.00 N ATOM 586 CA PRO A 40 52.428 2.962 -9.040 1.00 0.00 C ATOM 587 C PRO A 40 51.114 2.198 -9.130 1.00 0.00 C ATOM 588 O PRO A 40 50.386 2.292 -10.124 1.00 0.00 O ATOM 589 CB PRO A 40 52.167 4.471 -9.074 1.00 0.00 C ATOM 590 CG PRO A 40 53.303 5.036 -9.849 1.00 0.00 C ATOM 591 CD PRO A 40 53.653 3.994 -10.871 1.00 0.00 C ATOM 0 HA PRO A 40 52.894 2.616 -8.117 1.00 0.00 H new ATOM 0 HB2 PRO A 40 51.213 4.697 -9.550 1.00 0.00 H new ATOM 0 HB3 PRO A 40 52.128 4.888 -8.068 1.00 0.00 H new ATOM 0 HG2 PRO A 40 53.023 5.975 -10.327 1.00 0.00 H new ATOM 0 HG3 PRO A 40 54.152 5.249 -9.200 1.00 0.00 H new ATOM 0 HD2 PRO A 40 53.090 4.130 -11.794 1.00 0.00 H new ATOM 0 HD3 PRO A 40 54.710 4.027 -11.135 1.00 0.00 H new ATOM 599 N LEU A 41 50.815 1.440 -8.090 1.00 0.00 N ATOM 600 CA LEU A 41 49.582 0.680 -8.038 1.00 0.00 C ATOM 601 C LEU A 41 48.411 1.583 -7.682 1.00 0.00 C ATOM 602 O LEU A 41 48.535 2.481 -6.845 1.00 0.00 O ATOM 603 CB LEU A 41 49.707 -0.459 -7.028 1.00 0.00 C ATOM 604 CG LEU A 41 50.786 -1.493 -7.356 1.00 0.00 C ATOM 605 CD1 LEU A 41 50.859 -2.555 -6.277 1.00 0.00 C ATOM 606 CD2 LEU A 41 50.515 -2.133 -8.706 1.00 0.00 C ATOM 0 H LEU A 41 51.411 1.335 -7.269 1.00 0.00 H new ATOM 0 HA LEU A 41 49.395 0.253 -9.023 1.00 0.00 H new ATOM 0 HB2 LEU A 41 49.918 -0.034 -6.047 1.00 0.00 H new ATOM 0 HB3 LEU A 41 48.746 -0.968 -6.955 1.00 0.00 H new ATOM 0 HG LEU A 41 51.747 -0.980 -7.399 1.00 0.00 H new ATOM 0 HD11 LEU A 41 51.633 -3.279 -6.531 1.00 0.00 H new ATOM 0 HD12 LEU A 41 51.099 -2.088 -5.322 1.00 0.00 H new ATOM 0 HD13 LEU A 41 49.898 -3.063 -6.201 1.00 0.00 H new ATOM 0 HD21 LEU A 41 51.292 -2.866 -8.924 1.00 0.00 H new ATOM 0 HD22 LEU A 41 49.544 -2.628 -8.686 1.00 0.00 H new ATOM 0 HD23 LEU A 41 50.514 -1.365 -9.479 1.00 0.00 H new ATOM 618 N GLN A 42 47.285 1.356 -8.337 1.00 0.00 N ATOM 619 CA GLN A 42 46.092 2.144 -8.102 1.00 0.00 C ATOM 620 C GLN A 42 45.394 1.665 -6.840 1.00 0.00 C ATOM 621 O GLN A 42 45.032 0.490 -6.732 1.00 0.00 O ATOM 622 CB GLN A 42 45.145 2.052 -9.301 1.00 0.00 C ATOM 623 CG GLN A 42 43.931 2.961 -9.190 1.00 0.00 C ATOM 624 CD GLN A 42 43.002 2.857 -10.384 1.00 0.00 C ATOM 625 OE1 GLN A 42 42.345 3.826 -10.758 1.00 0.00 O ATOM 626 NE2 GLN A 42 42.926 1.677 -10.981 1.00 0.00 N ATOM 0 H GLN A 42 47.174 0.626 -9.041 1.00 0.00 H new ATOM 0 HA GLN A 42 46.381 3.187 -7.971 1.00 0.00 H new ATOM 0 HB2 GLN A 42 45.695 2.304 -10.208 1.00 0.00 H new ATOM 0 HB3 GLN A 42 44.808 1.021 -9.409 1.00 0.00 H new ATOM 0 HG2 GLN A 42 43.379 2.711 -8.284 1.00 0.00 H new ATOM 0 HG3 GLN A 42 44.265 3.993 -9.085 1.00 0.00 H new ATOM 0 HE21 GLN A 42 43.488 0.896 -10.641 1.00 0.00 H new ATOM 0 HE22 GLN A 42 42.306 1.549 -11.781 1.00 0.00 H new ATOM 635 N VAL A 43 45.230 2.568 -5.886 1.00 0.00 N ATOM 636 CA VAL A 43 44.573 2.249 -4.631 1.00 0.00 C ATOM 637 C VAL A 43 43.069 2.121 -4.828 1.00 0.00 C ATOM 638 O VAL A 43 42.363 3.121 -4.978 1.00 0.00 O ATOM 639 CB VAL A 43 44.866 3.319 -3.556 1.00 0.00 C ATOM 640 CG1 VAL A 43 44.195 2.966 -2.237 1.00 0.00 C ATOM 641 CG2 VAL A 43 46.365 3.489 -3.362 1.00 0.00 C ATOM 0 H VAL A 43 45.546 3.535 -5.960 1.00 0.00 H new ATOM 0 HA VAL A 43 44.972 1.294 -4.288 1.00 0.00 H new ATOM 0 HB VAL A 43 44.453 4.266 -3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 43 44.418 3.736 -1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 43 43.117 2.904 -2.383 1.00 0.00 H new ATOM 0 HG13 VAL A 43 44.569 2.005 -1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 43 46.550 4.247 -2.601 1.00 0.00 H new ATOM 0 HG22 VAL A 43 46.800 2.542 -3.044 1.00 0.00 H new ATOM 0 HG23 VAL A 43 46.821 3.800 -4.302 1.00 0.00 H new ATOM 651 N LEU A 44 42.588 0.890 -4.857 1.00 0.00 N ATOM 652 CA LEU A 44 41.170 0.627 -5.034 1.00 0.00 C ATOM 653 C LEU A 44 40.458 0.656 -3.692 1.00 0.00 C ATOM 654 O LEU A 44 40.627 -0.249 -2.874 1.00 0.00 O ATOM 655 CB LEU A 44 40.951 -0.732 -5.697 1.00 0.00 C ATOM 656 CG LEU A 44 41.654 -0.938 -7.041 1.00 0.00 C ATOM 657 CD1 LEU A 44 41.376 -2.334 -7.567 1.00 0.00 C ATOM 658 CD2 LEU A 44 41.205 0.110 -8.050 1.00 0.00 C ATOM 0 H LEU A 44 43.162 0.053 -4.760 1.00 0.00 H new ATOM 0 HA LEU A 44 40.759 1.405 -5.678 1.00 0.00 H new ATOM 0 HB2 LEU A 44 41.287 -1.509 -5.010 1.00 0.00 H new ATOM 0 HB3 LEU A 44 39.880 -0.876 -5.842 1.00 0.00 H new ATOM 0 HG LEU A 44 42.728 -0.827 -6.891 1.00 0.00 H new ATOM 0 HD11 LEU A 44 41.881 -2.470 -8.523 1.00 0.00 H new ATOM 0 HD12 LEU A 44 41.745 -3.072 -6.854 1.00 0.00 H new ATOM 0 HD13 LEU A 44 40.302 -2.465 -7.702 1.00 0.00 H new ATOM 0 HD21 LEU A 44 41.717 -0.055 -8.998 1.00 0.00 H new ATOM 0 HD22 LEU A 44 40.128 0.032 -8.201 1.00 0.00 H new ATOM 0 HD23 LEU A 44 41.448 1.104 -7.675 1.00 0.00 H new ATOM 670 N LYS A 45 39.679 1.696 -3.455 1.00 0.00 N ATOM 671 CA LYS A 45 38.930 1.823 -2.217 1.00 0.00 C ATOM 672 C LYS A 45 37.485 1.399 -2.434 1.00 0.00 C ATOM 673 O LYS A 45 36.641 2.215 -2.806 1.00 0.00 O ATOM 674 CB LYS A 45 38.980 3.265 -1.699 1.00 0.00 C ATOM 675 CG LYS A 45 40.368 3.727 -1.279 1.00 0.00 C ATOM 676 CD LYS A 45 40.369 5.200 -0.909 1.00 0.00 C ATOM 677 CE LYS A 45 41.717 5.647 -0.367 1.00 0.00 C ATOM 678 NZ LYS A 45 41.755 7.114 -0.129 1.00 0.00 N ATOM 0 H LYS A 45 39.548 2.469 -4.107 1.00 0.00 H new ATOM 0 HA LYS A 45 39.385 1.171 -1.472 1.00 0.00 H new ATOM 0 HB2 LYS A 45 38.607 3.932 -2.476 1.00 0.00 H new ATOM 0 HB3 LYS A 45 38.305 3.358 -0.848 1.00 0.00 H new ATOM 0 HG2 LYS A 45 40.709 3.136 -0.429 1.00 0.00 H new ATOM 0 HG3 LYS A 45 41.073 3.553 -2.092 1.00 0.00 H new ATOM 0 HD2 LYS A 45 40.115 5.795 -1.786 1.00 0.00 H new ATOM 0 HD3 LYS A 45 39.597 5.387 -0.162 1.00 0.00 H new ATOM 0 HE2 LYS A 45 41.927 5.122 0.565 1.00 0.00 H new ATOM 0 HE3 LYS A 45 42.502 5.372 -1.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 42.690 7.382 0.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 41.579 7.615 -1.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 41.023 7.373 0.563 1.00 0.00 H new ATOM 692 N ALA A 46 37.205 0.120 -2.231 1.00 0.00 N ATOM 693 CA ALA A 46 35.869 -0.412 -2.454 1.00 0.00 C ATOM 694 C ALA A 46 35.105 -0.551 -1.142 1.00 0.00 C ATOM 695 O ALA A 46 35.135 -1.604 -0.508 1.00 0.00 O ATOM 696 CB ALA A 46 35.937 -1.751 -3.176 1.00 0.00 C ATOM 0 H ALA A 46 37.886 -0.569 -1.912 1.00 0.00 H new ATOM 0 HA ALA A 46 35.330 0.295 -3.085 1.00 0.00 H new ATOM 0 HB1 ALA A 46 34.928 -2.131 -3.333 1.00 0.00 H new ATOM 0 HB2 ALA A 46 36.429 -1.620 -4.140 1.00 0.00 H new ATOM 0 HB3 ALA A 46 36.503 -2.461 -2.573 1.00 0.00 H new ATOM 702 N CYS A 47 34.449 0.539 -0.740 1.00 0.00 N ATOM 703 CA CYS A 47 33.621 0.598 0.474 1.00 0.00 C ATOM 704 C CYS A 47 34.302 -0.041 1.694 1.00 0.00 C ATOM 705 O CYS A 47 33.640 -0.642 2.543 1.00 0.00 O ATOM 706 CB CYS A 47 32.244 -0.043 0.220 1.00 0.00 C ATOM 707 SG CYS A 47 32.278 -1.797 -0.235 1.00 0.00 S ATOM 0 H CYS A 47 34.476 1.420 -1.253 1.00 0.00 H new ATOM 0 HA CYS A 47 33.485 1.653 0.712 1.00 0.00 H new ATOM 0 HB2 CYS A 47 31.637 0.071 1.119 1.00 0.00 H new ATOM 0 HB3 CYS A 47 31.744 0.512 -0.574 1.00 0.00 H new ATOM 0 HG CYS A 47 33.507 -2.220 -0.241 1.00 0.00 H new ATOM 713 N GLY A 48 35.617 0.121 1.797 1.00 0.00 N ATOM 714 CA GLY A 48 36.348 -0.450 2.915 1.00 0.00 C ATOM 715 C GLY A 48 37.385 -1.464 2.469 1.00 0.00 C ATOM 716 O GLY A 48 38.438 -1.607 3.092 1.00 0.00 O ATOM 0 H GLY A 48 36.189 0.636 1.128 1.00 0.00 H new ATOM 0 HA2 GLY A 48 36.840 0.349 3.470 1.00 0.00 H new ATOM 0 HA3 GLY A 48 35.646 -0.928 3.598 1.00 0.00 H new ATOM 720 N ALA A 49 37.089 -2.164 1.384 1.00 0.00 N ATOM 721 CA ALA A 49 38.012 -3.146 0.839 1.00 0.00 C ATOM 722 C ALA A 49 39.019 -2.466 -0.077 1.00 0.00 C ATOM 723 O ALA A 49 38.661 -1.965 -1.142 1.00 0.00 O ATOM 724 CB ALA A 49 37.254 -4.235 0.091 1.00 0.00 C ATOM 0 H ALA A 49 36.217 -2.070 0.864 1.00 0.00 H new ATOM 0 HA ALA A 49 38.552 -3.613 1.663 1.00 0.00 H new ATOM 0 HB1 ALA A 49 37.961 -4.961 -0.310 1.00 0.00 H new ATOM 0 HB2 ALA A 49 36.568 -4.736 0.774 1.00 0.00 H new ATOM 0 HB3 ALA A 49 36.689 -3.789 -0.727 1.00 0.00 H new ATOM 730 N VAL A 50 40.271 -2.427 0.351 1.00 0.00 N ATOM 731 CA VAL A 50 41.312 -1.779 -0.426 1.00 0.00 C ATOM 732 C VAL A 50 42.238 -2.809 -1.066 1.00 0.00 C ATOM 733 O VAL A 50 42.786 -3.685 -0.390 1.00 0.00 O ATOM 734 CB VAL A 50 42.131 -0.781 0.431 1.00 0.00 C ATOM 735 CG1 VAL A 50 42.823 -1.479 1.596 1.00 0.00 C ATOM 736 CG2 VAL A 50 43.145 -0.038 -0.426 1.00 0.00 C ATOM 0 H VAL A 50 40.589 -2.836 1.230 1.00 0.00 H new ATOM 0 HA VAL A 50 40.818 -1.215 -1.217 1.00 0.00 H new ATOM 0 HB VAL A 50 41.432 -0.056 0.847 1.00 0.00 H new ATOM 0 HG11 VAL A 50 43.388 -0.748 2.175 1.00 0.00 H new ATOM 0 HG12 VAL A 50 42.075 -1.948 2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 50 43.502 -2.241 1.212 1.00 0.00 H new ATOM 0 HG21 VAL A 50 43.708 0.657 0.197 1.00 0.00 H new ATOM 0 HG22 VAL A 50 43.830 -0.753 -0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 50 42.625 0.515 -1.208 1.00 0.00 H new ATOM 746 N ASP A 51 42.394 -2.716 -2.374 1.00 0.00 N ATOM 747 CA ASP A 51 43.285 -3.613 -3.091 1.00 0.00 C ATOM 748 C ASP A 51 44.128 -2.812 -4.072 1.00 0.00 C ATOM 749 O ASP A 51 43.878 -1.622 -4.282 1.00 0.00 O ATOM 750 CB ASP A 51 42.494 -4.707 -3.812 1.00 0.00 C ATOM 751 CG ASP A 51 43.289 -5.990 -3.966 1.00 0.00 C ATOM 752 OD1 ASP A 51 43.948 -6.404 -2.985 1.00 0.00 O ATOM 753 OD2 ASP A 51 43.253 -6.597 -5.056 1.00 0.00 O ATOM 0 H ASP A 51 41.918 -2.031 -2.961 1.00 0.00 H new ATOM 0 HA ASP A 51 43.945 -4.105 -2.377 1.00 0.00 H new ATOM 0 HB2 ASP A 51 41.578 -4.914 -3.258 1.00 0.00 H new ATOM 0 HB3 ASP A 51 42.196 -4.347 -4.797 1.00 0.00 H new ATOM 758 N TYR A 52 45.120 -3.447 -4.669 1.00 0.00 N ATOM 759 CA TYR A 52 46.074 -2.732 -5.500 1.00 0.00 C ATOM 760 C TYR A 52 46.004 -3.192 -6.950 1.00 0.00 C ATOM 761 O TYR A 52 46.212 -4.368 -7.260 1.00 0.00 O ATOM 762 CB TYR A 52 47.488 -2.905 -4.944 1.00 0.00 C ATOM 763 CG TYR A 52 47.669 -2.287 -3.573 1.00 0.00 C ATOM 764 CD1 TYR A 52 48.064 -0.962 -3.437 1.00 0.00 C ATOM 765 CD2 TYR A 52 47.432 -3.022 -2.418 1.00 0.00 C ATOM 766 CE1 TYR A 52 48.219 -0.389 -2.191 1.00 0.00 C ATOM 767 CE2 TYR A 52 47.584 -2.454 -1.168 1.00 0.00 C ATOM 768 CZ TYR A 52 47.979 -1.139 -1.061 1.00 0.00 C ATOM 769 OH TYR A 52 48.129 -0.568 0.181 1.00 0.00 O ATOM 0 H TYR A 52 45.287 -4.451 -4.595 1.00 0.00 H new ATOM 0 HA TYR A 52 45.815 -1.673 -5.480 1.00 0.00 H new ATOM 0 HB2 TYR A 52 47.723 -3.968 -4.890 1.00 0.00 H new ATOM 0 HB3 TYR A 52 48.201 -2.456 -5.635 1.00 0.00 H new ATOM 0 HD1 TYR A 52 48.253 -0.371 -4.321 1.00 0.00 H new ATOM 0 HD2 TYR A 52 47.124 -4.054 -2.499 1.00 0.00 H new ATOM 0 HE1 TYR A 52 48.527 0.642 -2.102 1.00 0.00 H new ATOM 0 HE2 TYR A 52 47.394 -3.038 -0.280 1.00 0.00 H new ATOM 0 HH TYR A 52 47.921 -1.230 0.873 1.00 0.00 H new ATOM 779 N PHE A 53 45.708 -2.248 -7.830 1.00 0.00 N ATOM 780 CA PHE A 53 45.581 -2.525 -9.254 1.00 0.00 C ATOM 781 C PHE A 53 46.845 -2.090 -9.991 1.00 0.00 C ATOM 782 O PHE A 53 47.321 -0.969 -9.813 1.00 0.00 O ATOM 783 CB PHE A 53 44.363 -1.784 -9.809 1.00 0.00 C ATOM 784 CG PHE A 53 44.036 -2.116 -11.238 1.00 0.00 C ATOM 785 CD1 PHE A 53 43.264 -3.224 -11.541 1.00 0.00 C ATOM 786 CD2 PHE A 53 44.490 -1.315 -12.273 1.00 0.00 C ATOM 787 CE1 PHE A 53 42.951 -3.530 -12.850 1.00 0.00 C ATOM 788 CE2 PHE A 53 44.182 -1.616 -13.585 1.00 0.00 C ATOM 789 CZ PHE A 53 43.411 -2.725 -13.874 1.00 0.00 C ATOM 0 H PHE A 53 45.549 -1.272 -7.580 1.00 0.00 H new ATOM 0 HA PHE A 53 45.448 -3.597 -9.402 1.00 0.00 H new ATOM 0 HB2 PHE A 53 43.498 -2.014 -9.187 1.00 0.00 H new ATOM 0 HB3 PHE A 53 44.537 -0.711 -9.728 1.00 0.00 H new ATOM 0 HD1 PHE A 53 42.902 -3.857 -10.744 1.00 0.00 H new ATOM 0 HD2 PHE A 53 45.091 -0.446 -12.051 1.00 0.00 H new ATOM 0 HE1 PHE A 53 42.347 -4.397 -13.073 1.00 0.00 H new ATOM 0 HE2 PHE A 53 44.543 -0.985 -14.384 1.00 0.00 H new ATOM 0 HZ PHE A 53 43.168 -2.962 -14.899 1.00 0.00 H new ATOM 799 N CYS A 54 47.380 -2.973 -10.820 1.00 0.00 N ATOM 800 CA CYS A 54 48.606 -2.688 -11.548 1.00 0.00 C ATOM 801 C CYS A 54 48.297 -1.990 -12.869 1.00 0.00 C ATOM 802 O CYS A 54 47.861 -2.627 -13.831 1.00 0.00 O ATOM 803 CB CYS A 54 49.379 -3.984 -11.807 1.00 0.00 C ATOM 804 SG CYS A 54 50.961 -3.762 -12.666 1.00 0.00 S ATOM 0 H CYS A 54 46.983 -3.894 -11.005 1.00 0.00 H new ATOM 0 HA CYS A 54 49.221 -2.023 -10.941 1.00 0.00 H new ATOM 0 HB2 CYS A 54 49.565 -4.477 -10.853 1.00 0.00 H new ATOM 0 HB3 CYS A 54 48.752 -4.654 -12.395 1.00 0.00 H new ATOM 0 HG CYS A 54 51.923 -4.243 -11.936 1.00 0.00 H new ATOM 809 N GLN A 55 48.518 -0.678 -12.900 1.00 0.00 N ATOM 810 CA GLN A 55 48.258 0.112 -14.097 1.00 0.00 C ATOM 811 C GLN A 55 49.298 -0.175 -15.159 1.00 0.00 C ATOM 812 O GLN A 55 50.382 0.405 -15.170 1.00 0.00 O ATOM 813 CB GLN A 55 48.248 1.601 -13.770 1.00 0.00 C ATOM 814 CG GLN A 55 47.278 1.946 -12.670 1.00 0.00 C ATOM 815 CD GLN A 55 47.352 3.403 -12.264 1.00 0.00 C ATOM 816 OE1 GLN A 55 46.615 4.239 -12.783 1.00 0.00 O ATOM 817 NE2 GLN A 55 48.265 3.726 -11.359 1.00 0.00 N ATOM 0 H GLN A 55 48.876 -0.141 -12.110 1.00 0.00 H new ATOM 0 HA GLN A 55 47.276 -0.168 -14.479 1.00 0.00 H new ATOM 0 HB2 GLN A 55 49.251 1.911 -13.476 1.00 0.00 H new ATOM 0 HB3 GLN A 55 47.990 2.164 -14.667 1.00 0.00 H new ATOM 0 HG2 GLN A 55 46.265 1.715 -12.999 1.00 0.00 H new ATOM 0 HG3 GLN A 55 47.482 1.320 -11.801 1.00 0.00 H new ATOM 0 HE21 GLN A 55 48.858 3.003 -10.952 1.00 0.00 H new ATOM 0 HE22 GLN A 55 48.375 4.698 -11.070 1.00 0.00 H new ATOM 826 N HIS A 56 48.937 -1.087 -16.040 1.00 0.00 N ATOM 827 CA HIS A 56 49.820 -1.551 -17.113 1.00 0.00 C ATOM 828 C HIS A 56 49.201 -2.768 -17.794 1.00 0.00 C ATOM 829 O HIS A 56 49.740 -3.289 -18.765 1.00 0.00 O ATOM 830 CB HIS A 56 51.211 -1.932 -16.570 1.00 0.00 C ATOM 831 CG HIS A 56 52.318 -1.877 -17.588 1.00 0.00 C ATOM 832 ND1 HIS A 56 52.105 -1.774 -18.948 1.00 0.00 N ATOM 833 CD2 HIS A 56 53.663 -1.898 -17.427 1.00 0.00 C ATOM 834 CE1 HIS A 56 53.266 -1.737 -19.572 1.00 0.00 C ATOM 835 NE2 HIS A 56 54.226 -1.810 -18.674 1.00 0.00 N ATOM 0 H HIS A 56 48.020 -1.534 -16.039 1.00 0.00 H new ATOM 0 HA HIS A 56 49.938 -0.736 -17.827 1.00 0.00 H new ATOM 0 HB2 HIS A 56 51.460 -1.264 -15.745 1.00 0.00 H new ATOM 0 HB3 HIS A 56 51.162 -2.941 -16.160 1.00 0.00 H new ATOM 0 HD1 HIS A 56 51.192 -1.733 -19.400 1.00 0.00 H new ATOM 0 HD2 HIS A 56 54.194 -1.971 -16.489 1.00 0.00 H new ATOM 0 HE1 HIS A 56 53.406 -1.660 -20.640 1.00 0.00 H new ATOM 844 N GLY A 57 48.068 -3.222 -17.275 1.00 0.00 N ATOM 845 CA GLY A 57 47.431 -4.404 -17.815 1.00 0.00 C ATOM 846 C GLY A 57 47.892 -5.670 -17.123 1.00 0.00 C ATOM 847 O GLY A 57 47.911 -6.743 -17.725 1.00 0.00 O ATOM 0 H GLY A 57 47.580 -2.792 -16.490 1.00 0.00 H new ATOM 0 HA2 GLY A 57 46.350 -4.310 -17.714 1.00 0.00 H new ATOM 0 HA3 GLY A 57 47.647 -4.476 -18.881 1.00 0.00 H new ATOM 851 N HIS A 58 48.283 -5.544 -15.858 1.00 0.00 N ATOM 852 CA HIS A 58 48.692 -6.702 -15.067 1.00 0.00 C ATOM 853 C HIS A 58 47.565 -7.143 -14.139 1.00 0.00 C ATOM 854 O HIS A 58 47.651 -8.187 -13.494 1.00 0.00 O ATOM 855 CB HIS A 58 49.953 -6.403 -14.245 1.00 0.00 C ATOM 856 CG HIS A 58 51.219 -6.317 -15.053 1.00 0.00 C ATOM 857 ND1 HIS A 58 52.395 -5.702 -14.595 1.00 0.00 N ATOM 858 CD2 HIS A 58 51.497 -6.789 -16.291 1.00 0.00 C ATOM 859 CE1 HIS A 58 53.320 -5.817 -15.552 1.00 0.00 C ATOM 860 NE2 HIS A 58 52.796 -6.464 -16.570 1.00 0.00 N ATOM 0 H HIS A 58 48.325 -4.655 -15.359 1.00 0.00 H new ATOM 0 HA HIS A 58 48.920 -7.509 -15.763 1.00 0.00 H new ATOM 0 HB2 HIS A 58 49.811 -5.461 -13.715 1.00 0.00 H new ATOM 0 HB3 HIS A 58 50.071 -7.180 -13.489 1.00 0.00 H new ATOM 0 HD1 HIS A 58 52.521 -5.247 -13.691 1.00 0.00 H new ATOM 0 HD2 HIS A 58 50.818 -7.324 -16.939 1.00 0.00 H new ATOM 0 HE1 HIS A 58 54.331 -5.441 -15.499 1.00 0.00 H new ATOM 868 N GLY A 59 46.513 -6.337 -14.070 1.00 0.00 N ATOM 869 CA GLY A 59 45.369 -6.677 -13.249 1.00 0.00 C ATOM 870 C GLY A 59 45.614 -6.400 -11.784 1.00 0.00 C ATOM 871 O GLY A 59 46.347 -5.471 -11.438 1.00 0.00 O ATOM 0 H GLY A 59 46.433 -5.452 -14.570 1.00 0.00 H new ATOM 0 HA2 GLY A 59 44.502 -6.108 -13.584 1.00 0.00 H new ATOM 0 HA3 GLY A 59 45.129 -7.732 -13.382 1.00 0.00 H new ATOM 875 N LEU A 60 45.008 -7.205 -10.923 1.00 0.00 N ATOM 876 CA LEU A 60 45.160 -7.042 -9.485 1.00 0.00 C ATOM 877 C LEU A 60 46.433 -7.719 -8.997 1.00 0.00 C ATOM 878 O LEU A 60 46.819 -8.775 -9.504 1.00 0.00 O ATOM 879 CB LEU A 60 43.950 -7.622 -8.751 1.00 0.00 C ATOM 880 CG LEU A 60 42.632 -6.880 -8.982 1.00 0.00 C ATOM 881 CD1 LEU A 60 41.492 -7.582 -8.265 1.00 0.00 C ATOM 882 CD2 LEU A 60 42.749 -5.440 -8.511 1.00 0.00 C ATOM 0 H LEU A 60 44.404 -7.980 -11.197 1.00 0.00 H new ATOM 0 HA LEU A 60 45.228 -5.975 -9.271 1.00 0.00 H new ATOM 0 HB2 LEU A 60 43.823 -8.660 -9.057 1.00 0.00 H new ATOM 0 HB3 LEU A 60 44.162 -7.629 -7.682 1.00 0.00 H new ATOM 0 HG LEU A 60 42.417 -6.881 -10.051 1.00 0.00 H new ATOM 0 HD11 LEU A 60 40.563 -7.040 -8.441 1.00 0.00 H new ATOM 0 HD12 LEU A 60 41.396 -8.600 -8.644 1.00 0.00 H new ATOM 0 HD13 LEU A 60 41.698 -7.611 -7.195 1.00 0.00 H new ATOM 0 HD21 LEU A 60 41.804 -4.924 -8.681 1.00 0.00 H new ATOM 0 HD22 LEU A 60 42.985 -5.423 -7.447 1.00 0.00 H new ATOM 0 HD23 LEU A 60 43.542 -4.939 -9.066 1.00 0.00 H new ATOM 894 N ILE A 61 47.080 -7.104 -8.021 1.00 0.00 N ATOM 895 CA ILE A 61 48.303 -7.644 -7.453 1.00 0.00 C ATOM 896 C ILE A 61 48.055 -8.105 -6.022 1.00 0.00 C ATOM 897 O ILE A 61 47.392 -7.410 -5.250 1.00 0.00 O ATOM 898 CB ILE A 61 49.440 -6.595 -7.469 1.00 0.00 C ATOM 899 CG1 ILE A 61 49.712 -6.124 -8.901 1.00 0.00 C ATOM 900 CG2 ILE A 61 50.711 -7.158 -6.848 1.00 0.00 C ATOM 901 CD1 ILE A 61 50.104 -7.241 -9.845 1.00 0.00 C ATOM 0 H ILE A 61 46.776 -6.225 -7.604 1.00 0.00 H new ATOM 0 HA ILE A 61 48.610 -8.493 -8.064 1.00 0.00 H new ATOM 0 HB ILE A 61 49.120 -5.741 -6.873 1.00 0.00 H new ATOM 0 HG12 ILE A 61 48.820 -5.630 -9.287 1.00 0.00 H new ATOM 0 HG13 ILE A 61 50.507 -5.379 -8.884 1.00 0.00 H new ATOM 0 HG21 ILE A 61 51.494 -6.400 -6.872 1.00 0.00 H new ATOM 0 HG22 ILE A 61 50.515 -7.445 -5.815 1.00 0.00 H new ATOM 0 HG23 ILE A 61 51.035 -8.033 -7.412 1.00 0.00 H new ATOM 0 HD11 ILE A 61 50.281 -6.832 -10.840 1.00 0.00 H new ATOM 0 HD12 ILE A 61 51.013 -7.721 -9.483 1.00 0.00 H new ATOM 0 HD13 ILE A 61 49.300 -7.976 -9.893 1.00 0.00 H new ATOM 913 N SER A 62 48.558 -9.288 -5.684 1.00 0.00 N ATOM 914 CA SER A 62 48.436 -9.810 -4.331 1.00 0.00 C ATOM 915 C SER A 62 49.075 -8.842 -3.334 1.00 0.00 C ATOM 916 O SER A 62 50.107 -8.236 -3.625 1.00 0.00 O ATOM 917 CB SER A 62 49.100 -11.184 -4.247 1.00 0.00 C ATOM 918 OG SER A 62 48.568 -12.064 -5.229 1.00 0.00 O ATOM 0 H SER A 62 49.054 -9.902 -6.330 1.00 0.00 H new ATOM 0 HA SER A 62 47.381 -9.914 -4.080 1.00 0.00 H new ATOM 0 HB2 SER A 62 50.176 -11.082 -4.389 1.00 0.00 H new ATOM 0 HB3 SER A 62 48.948 -11.606 -3.254 1.00 0.00 H new ATOM 0 HG SER A 62 48.887 -12.975 -5.059 1.00 0.00 H new ATOM 924 N LYS A 63 48.462 -8.707 -2.165 1.00 0.00 N ATOM 925 CA LYS A 63 48.889 -7.718 -1.176 1.00 0.00 C ATOM 926 C LYS A 63 50.329 -7.966 -0.715 1.00 0.00 C ATOM 927 O LYS A 63 51.052 -7.029 -0.390 1.00 0.00 O ATOM 928 CB LYS A 63 47.938 -7.726 0.022 1.00 0.00 C ATOM 929 CG LYS A 63 46.478 -7.501 -0.355 1.00 0.00 C ATOM 930 CD LYS A 63 45.585 -7.476 0.876 1.00 0.00 C ATOM 931 CE LYS A 63 44.105 -7.521 0.509 1.00 0.00 C ATOM 932 NZ LYS A 63 43.676 -6.356 -0.315 1.00 0.00 N ATOM 0 H LYS A 63 47.663 -9.272 -1.875 1.00 0.00 H new ATOM 0 HA LYS A 63 48.859 -6.737 -1.650 1.00 0.00 H new ATOM 0 HB2 LYS A 63 48.028 -8.681 0.540 1.00 0.00 H new ATOM 0 HB3 LYS A 63 48.246 -6.952 0.725 1.00 0.00 H new ATOM 0 HG2 LYS A 63 46.381 -6.560 -0.896 1.00 0.00 H new ATOM 0 HG3 LYS A 63 46.149 -8.291 -1.029 1.00 0.00 H new ATOM 0 HD2 LYS A 63 45.826 -8.325 1.516 1.00 0.00 H new ATOM 0 HD3 LYS A 63 45.788 -6.574 1.453 1.00 0.00 H new ATOM 0 HE2 LYS A 63 43.899 -8.441 -0.037 1.00 0.00 H new ATOM 0 HE3 LYS A 63 43.510 -7.553 1.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 42.653 -6.413 -0.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 43.891 -5.474 0.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 44.184 -6.366 -1.222 1.00 0.00 H new ATOM 946 N LYS A 64 50.746 -9.227 -0.710 1.00 0.00 N ATOM 947 CA LYS A 64 52.109 -9.575 -0.309 1.00 0.00 C ATOM 948 C LYS A 64 53.069 -9.546 -1.494 1.00 0.00 C ATOM 949 O LYS A 64 54.258 -9.822 -1.344 1.00 0.00 O ATOM 950 CB LYS A 64 52.153 -10.956 0.344 1.00 0.00 C ATOM 951 CG LYS A 64 51.605 -10.986 1.759 1.00 0.00 C ATOM 952 CD LYS A 64 51.875 -12.328 2.415 1.00 0.00 C ATOM 953 CE LYS A 64 51.483 -12.328 3.882 1.00 0.00 C ATOM 954 NZ LYS A 64 51.831 -13.615 4.543 1.00 0.00 N ATOM 0 H LYS A 64 50.166 -10.023 -0.977 1.00 0.00 H new ATOM 0 HA LYS A 64 52.427 -8.824 0.415 1.00 0.00 H new ATOM 0 HB2 LYS A 64 51.585 -11.655 -0.270 1.00 0.00 H new ATOM 0 HB3 LYS A 64 53.184 -11.308 0.357 1.00 0.00 H new ATOM 0 HG2 LYS A 64 52.062 -10.190 2.347 1.00 0.00 H new ATOM 0 HG3 LYS A 64 50.532 -10.794 1.742 1.00 0.00 H new ATOM 0 HD2 LYS A 64 51.321 -13.107 1.891 1.00 0.00 H new ATOM 0 HD3 LYS A 64 52.933 -12.572 2.322 1.00 0.00 H new ATOM 0 HE2 LYS A 64 51.987 -11.508 4.394 1.00 0.00 H new ATOM 0 HE3 LYS A 64 50.411 -12.150 3.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 51.549 -13.579 5.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 51.331 -14.395 4.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 52.857 -13.772 4.478 1.00 0.00 H new ATOM 968 N ARG A 65 52.556 -9.222 -2.672 1.00 0.00 N ATOM 969 CA ARG A 65 53.391 -9.148 -3.861 1.00 0.00 C ATOM 970 C ARG A 65 53.751 -7.695 -4.140 1.00 0.00 C ATOM 971 O ARG A 65 54.655 -7.400 -4.921 1.00 0.00 O ATOM 972 CB ARG A 65 52.670 -9.755 -5.066 1.00 0.00 C ATOM 973 CG ARG A 65 53.603 -10.135 -6.205 1.00 0.00 C ATOM 974 CD ARG A 65 52.834 -10.532 -7.454 1.00 0.00 C ATOM 975 NE ARG A 65 51.806 -11.541 -7.182 1.00 0.00 N ATOM 976 CZ ARG A 65 50.948 -11.989 -8.096 1.00 0.00 C ATOM 977 NH1 ARG A 65 51.080 -11.628 -9.365 1.00 0.00 N ATOM 978 NH2 ARG A 65 49.984 -12.831 -7.743 1.00 0.00 N ATOM 0 H ARG A 65 51.571 -9.007 -2.829 1.00 0.00 H new ATOM 0 HA ARG A 65 54.303 -9.719 -3.688 1.00 0.00 H new ATOM 0 HB2 ARG A 65 52.124 -10.642 -4.744 1.00 0.00 H new ATOM 0 HB3 ARG A 65 51.932 -9.042 -5.434 1.00 0.00 H new ATOM 0 HG2 ARG A 65 54.259 -9.295 -6.433 1.00 0.00 H new ATOM 0 HG3 ARG A 65 54.241 -10.962 -5.892 1.00 0.00 H new ATOM 0 HD2 ARG A 65 52.365 -9.647 -7.885 1.00 0.00 H new ATOM 0 HD3 ARG A 65 53.530 -10.919 -8.198 1.00 0.00 H new ATOM 0 HE ARG A 65 51.745 -11.922 -6.238 1.00 0.00 H new ATOM 0 HH11 ARG A 65 51.840 -11.006 -9.642 1.00 0.00 H new ATOM 0 HH12 ARG A 65 50.422 -11.972 -10.064 1.00 0.00 H new ATOM 0 HH21 ARG A 65 49.901 -13.134 -6.772 1.00 0.00 H new ATOM 0 HH22 ARG A 65 49.326 -13.175 -8.442 1.00 0.00 H new ATOM 992 N VAL A 66 53.028 -6.793 -3.492 1.00 0.00 N ATOM 993 CA VAL A 66 53.283 -5.368 -3.620 1.00 0.00 C ATOM 994 C VAL A 66 54.591 -5.005 -2.938 1.00 0.00 C ATOM 995 O VAL A 66 54.790 -5.306 -1.760 1.00 0.00 O ATOM 996 CB VAL A 66 52.149 -4.528 -2.993 1.00 0.00 C ATOM 997 CG1 VAL A 66 52.424 -3.039 -3.155 1.00 0.00 C ATOM 998 CG2 VAL A 66 50.804 -4.893 -3.600 1.00 0.00 C ATOM 0 H VAL A 66 52.255 -7.026 -2.868 1.00 0.00 H new ATOM 0 HA VAL A 66 53.338 -5.145 -4.685 1.00 0.00 H new ATOM 0 HB VAL A 66 52.114 -4.754 -1.927 1.00 0.00 H new ATOM 0 HG11 VAL A 66 51.612 -2.468 -2.706 1.00 0.00 H new ATOM 0 HG12 VAL A 66 53.362 -2.786 -2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 66 52.496 -2.795 -4.215 1.00 0.00 H new ATOM 0 HG21 VAL A 66 50.022 -4.288 -3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 66 50.826 -4.705 -4.673 1.00 0.00 H new ATOM 0 HG23 VAL A 66 50.598 -5.948 -3.421 1.00 0.00 H new ATOM 1008 N GLU A 67 55.488 -4.365 -3.670 1.00 0.00 N ATOM 1009 CA GLU A 67 56.732 -3.917 -3.083 1.00 0.00 C ATOM 1010 C GLU A 67 56.542 -2.524 -2.504 1.00 0.00 C ATOM 1011 O GLU A 67 56.486 -1.532 -3.236 1.00 0.00 O ATOM 1012 CB GLU A 67 57.870 -3.927 -4.111 1.00 0.00 C ATOM 1013 CG GLU A 67 59.224 -3.594 -3.504 1.00 0.00 C ATOM 1014 CD GLU A 67 60.368 -3.751 -4.481 1.00 0.00 C ATOM 1015 OE1 GLU A 67 60.661 -2.794 -5.225 1.00 0.00 O ATOM 1016 OE2 GLU A 67 60.997 -4.829 -4.497 1.00 0.00 O ATOM 0 H GLU A 67 55.377 -4.148 -4.660 1.00 0.00 H new ATOM 0 HA GLU A 67 57.011 -4.605 -2.285 1.00 0.00 H new ATOM 0 HB2 GLU A 67 57.920 -4.910 -4.579 1.00 0.00 H new ATOM 0 HB3 GLU A 67 57.646 -3.209 -4.900 1.00 0.00 H new ATOM 0 HG2 GLU A 67 59.208 -2.568 -3.135 1.00 0.00 H new ATOM 0 HG3 GLU A 67 59.398 -4.240 -2.643 1.00 0.00 H new ATOM 1023 N PHE A 68 56.396 -2.462 -1.189 1.00 0.00 N ATOM 1024 CA PHE A 68 56.218 -1.197 -0.503 1.00 0.00 C ATOM 1025 C PHE A 68 57.568 -0.544 -0.267 1.00 0.00 C ATOM 1026 O PHE A 68 58.311 -0.928 0.638 1.00 0.00 O ATOM 1027 CB PHE A 68 55.490 -1.390 0.830 1.00 0.00 C ATOM 1028 CG PHE A 68 54.078 -1.882 0.683 1.00 0.00 C ATOM 1029 CD1 PHE A 68 53.050 -0.997 0.402 1.00 0.00 C ATOM 1030 CD2 PHE A 68 53.777 -3.228 0.834 1.00 0.00 C ATOM 1031 CE1 PHE A 68 51.748 -1.442 0.275 1.00 0.00 C ATOM 1032 CE2 PHE A 68 52.477 -3.678 0.708 1.00 0.00 C ATOM 1033 CZ PHE A 68 51.461 -2.785 0.428 1.00 0.00 C ATOM 0 H PHE A 68 56.398 -3.277 -0.576 1.00 0.00 H new ATOM 0 HA PHE A 68 55.607 -0.550 -1.133 1.00 0.00 H new ATOM 0 HB2 PHE A 68 56.050 -2.098 1.440 1.00 0.00 H new ATOM 0 HB3 PHE A 68 55.481 -0.443 1.369 1.00 0.00 H new ATOM 0 HD1 PHE A 68 53.269 0.054 0.281 1.00 0.00 H new ATOM 0 HD2 PHE A 68 54.567 -3.931 1.052 1.00 0.00 H new ATOM 0 HE1 PHE A 68 50.956 -0.741 0.056 1.00 0.00 H new ATOM 0 HE2 PHE A 68 52.255 -4.728 0.828 1.00 0.00 H new ATOM 0 HZ PHE A 68 50.444 -3.136 0.329 1.00 0.00 H new ATOM 1043 N VAL A 69 57.899 0.415 -1.106 1.00 0.00 N ATOM 1044 CA VAL A 69 59.141 1.144 -0.964 1.00 0.00 C ATOM 1045 C VAL A 69 58.876 2.489 -0.309 1.00 0.00 C ATOM 1046 O VAL A 69 57.725 2.837 -0.042 1.00 0.00 O ATOM 1047 CB VAL A 69 59.849 1.347 -2.321 1.00 0.00 C ATOM 1048 CG1 VAL A 69 60.193 0.010 -2.953 1.00 0.00 C ATOM 1049 CG2 VAL A 69 58.990 2.175 -3.265 1.00 0.00 C ATOM 0 H VAL A 69 57.323 0.708 -1.895 1.00 0.00 H new ATOM 0 HA VAL A 69 59.804 0.552 -0.334 1.00 0.00 H new ATOM 0 HB VAL A 69 60.775 1.891 -2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 69 60.691 0.176 -3.908 1.00 0.00 H new ATOM 0 HG12 VAL A 69 60.856 -0.546 -2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 69 59.279 -0.562 -3.115 1.00 0.00 H new ATOM 0 HG21 VAL A 69 59.512 2.303 -4.213 1.00 0.00 H new ATOM 0 HG22 VAL A 69 58.043 1.664 -3.438 1.00 0.00 H new ATOM 0 HG23 VAL A 69 58.799 3.152 -2.821 1.00 0.00 H new ATOM 1059 N LEU A 70 59.928 3.238 -0.048 1.00 0.00 N ATOM 1060 CA LEU A 70 59.784 4.524 0.609 1.00 0.00 C ATOM 1061 C LEU A 70 59.528 5.615 -0.422 1.00 0.00 C ATOM 1062 O LEU A 70 60.226 5.705 -1.433 1.00 0.00 O ATOM 1063 CB LEU A 70 61.032 4.831 1.441 1.00 0.00 C ATOM 1064 CG LEU A 70 61.401 3.742 2.453 1.00 0.00 C ATOM 1065 CD1 LEU A 70 62.650 4.129 3.223 1.00 0.00 C ATOM 1066 CD2 LEU A 70 60.247 3.481 3.411 1.00 0.00 C ATOM 0 H LEU A 70 60.888 2.982 -0.279 1.00 0.00 H new ATOM 0 HA LEU A 70 58.927 4.489 1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 70 61.875 4.984 0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 70 60.876 5.769 1.975 1.00 0.00 H new ATOM 0 HG LEU A 70 61.604 2.823 1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 70 62.896 3.343 3.937 1.00 0.00 H new ATOM 0 HD12 LEU A 70 63.480 4.261 2.528 1.00 0.00 H new ATOM 0 HD13 LEU A 70 62.473 5.062 3.758 1.00 0.00 H new ATOM 0 HD21 LEU A 70 60.532 2.704 4.121 1.00 0.00 H new ATOM 0 HD22 LEU A 70 60.009 4.397 3.952 1.00 0.00 H new ATOM 0 HD23 LEU A 70 59.373 3.155 2.847 1.00 0.00 H new ATOM 1078 N ALA A 71 58.503 6.420 -0.175 1.00 0.00 N ATOM 1079 CA ALA A 71 58.114 7.475 -1.101 1.00 0.00 C ATOM 1080 C ALA A 71 59.185 8.552 -1.181 1.00 0.00 C ATOM 1081 O ALA A 71 59.831 8.667 -2.242 1.00 0.00 O ATOM 1082 CB ALA A 71 56.779 8.078 -0.693 1.00 0.00 C ATOM 1083 OXT ALA A 71 59.391 9.263 -0.175 1.00 0.00 O ATOM 0 H ALA A 71 57.924 6.362 0.663 1.00 0.00 H new ATOM 0 HA ALA A 71 58.006 7.033 -2.091 1.00 0.00 H new ATOM 0 HB1 ALA A 71 56.505 8.864 -1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 71 56.013 7.303 -0.698 1.00 0.00 H new ATOM 0 HB3 ALA A 71 56.861 8.500 0.309 1.00 0.00 H new