USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 670 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 70 GLN : amide:sc= 1.18 K(o=2.1,f=1.3) USER MOD Set 1.2: B 102 THR OG1 : rot -116:sc= 0.903 USER MOD Set 2.1: A 13 LYS NZ :NH3+ 162:sc= 0.0105 (180deg=0) USER MOD Set 2.2: A 80 THR OG1 : rot -81:sc= 1.23 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0317 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 15 ASN : amide:sc= 0.111 X(o=0.11,f=0) USER MOD Single : A 17 MET CE :methyl -130:sc=-0.00985 (180deg=-0.297) USER MOD Single : A 20 SER OG : rot -92:sc= 0.272 USER MOD Single : A 25 LYS NZ :NH3+ -122:sc= 0.00741 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.051) USER MOD Single : A 31 LYS NZ :NH3+ 176:sc= 0.191 (180deg=0.186) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 38:sc= 0.414 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.313 K(o=-0.31,f=-5.5!) USER MOD Single : A 59 SER OG : rot 112:sc= 1.2 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -110:sc= -0.822 (180deg=-4.2!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0.0136 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.21 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 101 SER OG : rot -29:sc= 0.423 USER MOD ----------------------------------------------------------------- ATOM 71 N GLU A 5 -8.350 2.945 -11.052 1.00 0.00 N ATOM 72 CA GLU A 5 -9.296 3.041 -9.947 1.00 0.00 C ATOM 73 C GLU A 5 -8.567 3.248 -8.626 1.00 0.00 C ATOM 74 O GLU A 5 -8.065 2.298 -8.023 1.00 0.00 O ATOM 75 CB GLU A 5 -10.167 1.786 -9.876 1.00 0.00 C ATOM 76 CG GLU A 5 -11.375 1.935 -8.963 1.00 0.00 C ATOM 77 CD GLU A 5 -12.438 0.884 -9.223 1.00 0.00 C ATOM 78 OE1 GLU A 5 -13.064 0.926 -10.303 1.00 0.00 O ATOM 79 OE2 GLU A 5 -12.643 0.019 -8.345 1.00 0.00 O ATOM 0 HA GLU A 5 -9.938 3.904 -10.126 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -10.509 1.534 -10.880 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.559 0.951 -9.527 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.051 1.869 -7.924 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.808 2.926 -9.099 1.00 0.00 H new ATOM 86 N ILE A 6 -8.517 4.500 -8.190 1.00 0.00 N ATOM 87 CA ILE A 6 -7.855 4.859 -6.941 1.00 0.00 C ATOM 88 C ILE A 6 -8.880 5.129 -5.839 1.00 0.00 C ATOM 89 O ILE A 6 -9.681 6.060 -5.944 1.00 0.00 O ATOM 90 CB ILE A 6 -6.971 6.110 -7.124 1.00 0.00 C ATOM 91 CG1 ILE A 6 -6.008 5.928 -8.299 1.00 0.00 C ATOM 92 CG2 ILE A 6 -6.201 6.414 -5.847 1.00 0.00 C ATOM 93 CD1 ILE A 6 -5.416 7.229 -8.794 1.00 0.00 C ATOM 0 H ILE A 6 -8.930 5.290 -8.686 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.228 4.016 -6.652 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.622 6.956 -7.344 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.200 5.261 -7.998 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.535 5.441 -9.120 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.584 7.300 -5.997 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.903 6.594 -5.033 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.564 5.566 -5.596 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.743 7.029 -9.627 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.217 7.890 -9.125 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.862 7.707 -7.986 1.00 0.00 H new ATOM 105 N ILE A 7 -8.850 4.311 -4.785 1.00 0.00 N ATOM 106 CA ILE A 7 -9.779 4.466 -3.664 1.00 0.00 C ATOM 107 C ILE A 7 -9.102 4.157 -2.329 1.00 0.00 C ATOM 108 O ILE A 7 -8.185 3.334 -2.261 1.00 0.00 O ATOM 109 CB ILE A 7 -11.017 3.554 -3.814 1.00 0.00 C ATOM 110 CG1 ILE A 7 -10.590 2.087 -3.931 1.00 0.00 C ATOM 111 CG2 ILE A 7 -11.849 3.972 -5.018 1.00 0.00 C ATOM 112 CD1 ILE A 7 -11.476 1.135 -3.156 1.00 0.00 C ATOM 0 H ILE A 7 -8.194 3.536 -4.684 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.099 5.508 -3.676 1.00 0.00 H new ATOM 0 HB ILE A 7 -11.634 3.661 -2.922 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.593 1.799 -4.982 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.564 1.986 -3.576 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -12.716 3.317 -5.106 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -12.183 5.002 -4.890 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -11.244 3.897 -5.922 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -11.114 0.115 -3.285 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.454 1.397 -2.098 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -12.499 1.207 -3.526 1.00 0.00 H new ATOM 124 N THR A 8 -9.564 4.820 -1.268 1.00 0.00 N ATOM 125 CA THR A 8 -9.009 4.618 0.070 1.00 0.00 C ATOM 126 C THR A 8 -10.017 3.922 0.983 1.00 0.00 C ATOM 127 O THR A 8 -11.113 4.435 1.224 1.00 0.00 O ATOM 128 CB THR A 8 -8.587 5.956 0.687 1.00 0.00 C ATOM 129 OG1 THR A 8 -8.103 6.840 -0.307 1.00 0.00 O ATOM 130 CG2 THR A 8 -7.504 5.817 1.733 1.00 0.00 C ATOM 0 H THR A 8 -10.322 5.502 -1.310 1.00 0.00 H new ATOM 0 HA THR A 8 -8.131 3.980 -0.028 1.00 0.00 H new ATOM 0 HB THR A 8 -9.487 6.347 1.162 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.841 7.688 0.109 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.252 6.801 2.129 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.860 5.180 2.543 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.618 5.370 1.282 1.00 0.00 H new ATOM 138 N VAL A 9 -9.632 2.753 1.493 1.00 0.00 N ATOM 139 CA VAL A 9 -10.490 1.976 2.389 1.00 0.00 C ATOM 140 C VAL A 9 -10.149 2.249 3.853 1.00 0.00 C ATOM 141 O VAL A 9 -9.137 2.882 4.154 1.00 0.00 O ATOM 142 CB VAL A 9 -10.372 0.460 2.121 1.00 0.00 C ATOM 143 CG1 VAL A 9 -11.041 0.100 0.805 1.00 0.00 C ATOM 144 CG2 VAL A 9 -8.914 0.017 2.132 1.00 0.00 C ATOM 0 H VAL A 9 -8.728 2.321 1.301 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.514 2.291 2.189 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.886 -0.071 2.922 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.949 -0.972 0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.096 0.371 0.847 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.559 0.642 -0.008 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.858 -1.055 1.941 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.365 0.553 1.358 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.475 0.235 3.105 1.00 0.00 H new ATOM 154 N THR A 10 -11.000 1.767 4.759 1.00 0.00 N ATOM 155 CA THR A 10 -10.787 1.961 6.191 1.00 0.00 C ATOM 156 C THR A 10 -11.170 0.704 6.972 1.00 0.00 C ATOM 157 O THR A 10 -12.340 0.317 7.003 1.00 0.00 O ATOM 158 CB THR A 10 -11.600 3.161 6.697 1.00 0.00 C ATOM 159 OG1 THR A 10 -11.885 4.067 5.642 1.00 0.00 O ATOM 160 CG2 THR A 10 -10.897 3.942 7.787 1.00 0.00 C ATOM 0 H THR A 10 -11.842 1.240 4.526 1.00 0.00 H new ATOM 0 HA THR A 10 -9.727 2.160 6.351 1.00 0.00 H new ATOM 0 HB THR A 10 -12.515 2.731 7.104 1.00 0.00 H new ATOM 0 HG1 THR A 10 -12.405 4.821 5.990 1.00 0.00 H new ATOM 0 HG21 THR A 10 -11.525 4.776 8.100 1.00 0.00 H new ATOM 0 HG22 THR A 10 -10.710 3.289 8.639 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.949 4.324 7.407 1.00 0.00 H new ATOM 168 N LEU A 11 -10.176 0.070 7.596 1.00 0.00 N ATOM 169 CA LEU A 11 -10.404 -1.147 8.376 1.00 0.00 C ATOM 170 C LEU A 11 -9.666 -1.094 9.714 1.00 0.00 C ATOM 171 O LEU A 11 -8.767 -0.273 9.905 1.00 0.00 O ATOM 172 CB LEU A 11 -9.952 -2.377 7.582 1.00 0.00 C ATOM 173 CG LEU A 11 -10.841 -2.742 6.389 1.00 0.00 C ATOM 174 CD1 LEU A 11 -10.072 -2.608 5.083 1.00 0.00 C ATOM 175 CD2 LEU A 11 -11.393 -4.152 6.545 1.00 0.00 C ATOM 0 H LEU A 11 -9.204 0.380 7.576 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.473 -1.220 8.578 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.938 -2.205 7.221 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.909 -3.231 8.258 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.680 -2.046 6.362 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.722 -2.872 4.249 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.731 -1.579 4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.211 -3.276 5.097 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.022 -4.393 5.688 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.568 -4.862 6.601 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.985 -4.212 7.458 1.00 0.00 H new ATOM 187 N LYS A 12 -10.052 -1.977 10.636 1.00 0.00 N ATOM 188 CA LYS A 12 -9.427 -2.034 11.957 1.00 0.00 C ATOM 189 C LYS A 12 -8.333 -3.100 11.999 1.00 0.00 C ATOM 190 O LYS A 12 -8.456 -4.156 11.375 1.00 0.00 O ATOM 191 CB LYS A 12 -10.478 -2.323 13.034 1.00 0.00 C ATOM 192 CG LYS A 12 -10.908 -1.088 13.811 1.00 0.00 C ATOM 193 CD LYS A 12 -12.091 -1.382 14.722 1.00 0.00 C ATOM 194 CE LYS A 12 -12.733 -0.101 15.237 1.00 0.00 C ATOM 195 NZ LYS A 12 -11.873 0.595 16.236 1.00 0.00 N ATOM 0 H LYS A 12 -10.794 -2.662 10.492 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.972 -1.064 12.155 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.354 -2.770 12.564 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.079 -3.060 13.731 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.071 -0.723 14.407 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.174 -0.293 13.114 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.832 -1.968 14.179 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.760 -1.988 15.565 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.929 0.568 14.399 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.697 -0.335 15.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.349 1.461 16.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.707 -0.033 17.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.963 0.843 15.798 1.00 0.00 H new ATOM 209 N LYS A 13 -7.263 -2.815 12.739 1.00 0.00 N ATOM 210 CA LYS A 13 -6.142 -3.742 12.864 1.00 0.00 C ATOM 211 C LYS A 13 -6.368 -4.727 14.012 1.00 0.00 C ATOM 212 O LYS A 13 -6.239 -4.369 15.184 1.00 0.00 O ATOM 213 CB LYS A 13 -4.840 -2.963 13.085 1.00 0.00 C ATOM 214 CG LYS A 13 -3.591 -3.832 13.077 1.00 0.00 C ATOM 215 CD LYS A 13 -2.410 -3.111 12.443 1.00 0.00 C ATOM 216 CE LYS A 13 -2.010 -1.878 13.243 1.00 0.00 C ATOM 217 NZ LYS A 13 -0.541 -1.818 13.491 1.00 0.00 N ATOM 0 H LYS A 13 -7.150 -1.947 13.262 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.066 -4.313 11.938 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.747 -2.203 12.309 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.900 -2.439 14.039 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.338 -4.116 14.099 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.792 -4.753 12.530 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.562 -3.792 12.375 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.666 -2.817 11.425 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.323 -0.982 12.707 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.538 -1.879 14.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.273 -0.849 13.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.292 -2.470 14.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.032 -2.093 12.627 1.00 0.00 H new ATOM 231 N GLN A 14 -6.698 -5.972 13.665 1.00 0.00 N ATOM 232 CA GLN A 14 -6.933 -7.012 14.666 1.00 0.00 C ATOM 233 C GLN A 14 -5.627 -7.392 15.363 1.00 0.00 C ATOM 234 O GLN A 14 -5.507 -7.273 16.583 1.00 0.00 O ATOM 235 CB GLN A 14 -7.561 -8.251 14.017 1.00 0.00 C ATOM 236 CG GLN A 14 -8.918 -8.617 14.593 1.00 0.00 C ATOM 237 CD GLN A 14 -10.053 -7.839 13.955 1.00 0.00 C ATOM 238 OE1 GLN A 14 -10.273 -6.669 14.271 1.00 0.00 O ATOM 239 NE2 GLN A 14 -10.781 -8.486 13.052 1.00 0.00 N ATOM 0 H GLN A 14 -6.808 -6.284 12.700 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.625 -6.617 15.410 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -7.665 -8.077 12.946 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.884 -9.097 14.138 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -9.091 -9.684 14.454 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.914 -8.432 15.667 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -10.563 -9.455 12.821 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -11.558 -8.014 12.590 1.00 0.00 H new ATOM 248 N ASN A 15 -4.649 -7.840 14.576 1.00 0.00 N ATOM 249 CA ASN A 15 -3.341 -8.229 15.105 1.00 0.00 C ATOM 250 C ASN A 15 -2.259 -8.102 14.027 1.00 0.00 C ATOM 251 O ASN A 15 -1.333 -8.915 13.961 1.00 0.00 O ATOM 252 CB ASN A 15 -3.388 -9.664 15.651 1.00 0.00 C ATOM 253 CG ASN A 15 -2.657 -9.805 16.975 1.00 0.00 C ATOM 254 OD1 ASN A 15 -3.240 -10.228 17.975 1.00 0.00 O ATOM 255 ND2 ASN A 15 -1.375 -9.454 16.990 1.00 0.00 N ATOM 0 H ASN A 15 -4.738 -7.943 13.565 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.089 -7.554 15.923 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.427 -9.967 15.779 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.946 -10.342 14.921 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.835 -9.530 17.852 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -0.931 -9.109 16.139 1.00 0.00 H new ATOM 262 N GLY A 16 -2.387 -7.073 13.183 1.00 0.00 N ATOM 263 CA GLY A 16 -1.425 -6.848 12.116 1.00 0.00 C ATOM 264 C GLY A 16 -2.066 -6.895 10.742 1.00 0.00 C ATOM 265 O GLY A 16 -3.026 -7.640 10.525 1.00 0.00 O ATOM 0 H GLY A 16 -3.144 -6.391 13.223 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.948 -5.878 12.259 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.639 -7.601 12.174 1.00 0.00 H new ATOM 269 N MET A 17 -1.536 -6.099 9.812 1.00 0.00 N ATOM 270 CA MET A 17 -2.061 -6.052 8.447 1.00 0.00 C ATOM 271 C MET A 17 -1.925 -7.411 7.763 1.00 0.00 C ATOM 272 O MET A 17 -2.900 -7.947 7.233 1.00 0.00 O ATOM 273 CB MET A 17 -1.335 -4.979 7.628 1.00 0.00 C ATOM 274 CG MET A 17 -2.088 -3.661 7.549 1.00 0.00 C ATOM 275 SD MET A 17 -1.173 -2.294 8.286 1.00 0.00 S ATOM 276 CE MET A 17 0.132 -2.064 7.080 1.00 0.00 C ATOM 0 H MET A 17 -0.744 -5.478 9.979 1.00 0.00 H new ATOM 0 HA MET A 17 -3.119 -5.797 8.504 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.353 -4.801 8.067 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.170 -5.355 6.618 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.300 -3.430 6.505 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.048 -3.765 8.054 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.096 -2.036 7.588 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.120 -2.890 6.369 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.025 -1.125 6.549 1.00 0.00 H new ATOM 286 N GLY A 18 -0.712 -7.965 7.783 1.00 0.00 N ATOM 287 CA GLY A 18 -0.474 -9.258 7.166 1.00 0.00 C ATOM 288 C GLY A 18 -0.429 -9.185 5.651 1.00 0.00 C ATOM 289 O GLY A 18 -1.270 -9.769 4.973 1.00 0.00 O ATOM 0 H GLY A 18 0.108 -7.540 8.216 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.468 -9.664 7.534 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.259 -9.951 7.469 1.00 0.00 H new ATOM 293 N LEU A 19 0.562 -8.472 5.123 1.00 0.00 N ATOM 294 CA LEU A 19 0.729 -8.328 3.676 1.00 0.00 C ATOM 295 C LEU A 19 2.157 -7.893 3.336 1.00 0.00 C ATOM 296 O LEU A 19 2.979 -7.701 4.229 1.00 0.00 O ATOM 297 CB LEU A 19 -0.282 -7.326 3.109 1.00 0.00 C ATOM 298 CG LEU A 19 -0.061 -5.872 3.530 1.00 0.00 C ATOM 299 CD1 LEU A 19 0.904 -5.181 2.578 1.00 0.00 C ATOM 300 CD2 LEU A 19 -1.383 -5.120 3.590 1.00 0.00 C ATOM 0 H LEU A 19 1.265 -7.982 5.676 1.00 0.00 H new ATOM 0 HA LEU A 19 0.545 -9.300 3.217 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.253 -7.381 2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.283 -7.629 3.417 1.00 0.00 H new ATOM 0 HG LEU A 19 0.378 -5.869 4.528 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.049 -4.148 2.893 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.862 -5.702 2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.494 -5.198 1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.201 -4.088 3.891 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.854 -5.133 2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.042 -5.599 4.314 1.00 0.00 H new ATOM 312 N SER A 20 2.448 -7.738 2.043 1.00 0.00 N ATOM 313 CA SER A 20 3.780 -7.325 1.600 1.00 0.00 C ATOM 314 C SER A 20 3.693 -6.302 0.469 1.00 0.00 C ATOM 315 O SER A 20 2.728 -6.297 -0.294 1.00 0.00 O ATOM 316 CB SER A 20 4.573 -8.548 1.142 1.00 0.00 C ATOM 317 OG SER A 20 4.828 -9.422 2.228 1.00 0.00 O ATOM 0 H SER A 20 1.781 -7.892 1.287 1.00 0.00 H new ATOM 0 HA SER A 20 4.291 -6.854 2.440 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.018 -9.077 0.367 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.516 -8.229 0.697 1.00 0.00 H new ATOM 0 HG SER A 20 5.690 -9.195 2.635 1.00 0.00 H new ATOM 323 N ILE A 21 4.706 -5.432 0.363 1.00 0.00 N ATOM 324 CA ILE A 21 4.726 -4.405 -0.685 1.00 0.00 C ATOM 325 C ILE A 21 6.085 -4.322 -1.385 1.00 0.00 C ATOM 326 O ILE A 21 7.109 -4.711 -0.824 1.00 0.00 O ATOM 327 CB ILE A 21 4.355 -3.009 -0.132 1.00 0.00 C ATOM 328 CG1 ILE A 21 5.432 -2.491 0.832 1.00 0.00 C ATOM 329 CG2 ILE A 21 2.997 -3.058 0.552 1.00 0.00 C ATOM 330 CD1 ILE A 21 6.558 -1.752 0.138 1.00 0.00 C ATOM 0 H ILE A 21 5.515 -5.419 0.984 1.00 0.00 H new ATOM 0 HA ILE A 21 3.974 -4.710 -1.413 1.00 0.00 H new ATOM 0 HB ILE A 21 4.298 -2.314 -0.970 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.967 -1.827 1.561 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.847 -3.332 1.386 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.748 -2.069 0.937 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.239 -3.370 -0.166 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.030 -3.770 1.376 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.283 -1.414 0.879 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.048 -2.419 -0.571 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.154 -0.890 -0.394 1.00 0.00 H new ATOM 342 N VAL A 22 6.077 -3.806 -2.618 1.00 0.00 N ATOM 343 CA VAL A 22 7.295 -3.661 -3.415 1.00 0.00 C ATOM 344 C VAL A 22 7.323 -2.313 -4.139 1.00 0.00 C ATOM 345 O VAL A 22 6.334 -1.907 -4.751 1.00 0.00 O ATOM 346 CB VAL A 22 7.419 -4.792 -4.461 1.00 0.00 C ATOM 347 CG1 VAL A 22 8.757 -4.728 -5.187 1.00 0.00 C ATOM 348 CG2 VAL A 22 7.228 -6.155 -3.812 1.00 0.00 C ATOM 0 H VAL A 22 5.232 -3.480 -3.087 1.00 0.00 H new ATOM 0 HA VAL A 22 8.135 -3.718 -2.723 1.00 0.00 H new ATOM 0 HB VAL A 22 6.629 -4.649 -5.198 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.814 -5.536 -5.916 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.848 -3.770 -5.699 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.568 -4.832 -4.466 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.320 -6.934 -4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.988 -6.303 -3.045 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.239 -6.206 -3.357 1.00 0.00 H new ATOM 358 N ALA A 23 8.466 -1.632 -4.075 1.00 0.00 N ATOM 359 CA ALA A 23 8.630 -0.336 -4.733 1.00 0.00 C ATOM 360 C ALA A 23 9.076 -0.514 -6.183 1.00 0.00 C ATOM 361 O ALA A 23 10.046 -1.224 -6.457 1.00 0.00 O ATOM 362 CB ALA A 23 9.629 0.527 -3.971 1.00 0.00 C ATOM 0 H ALA A 23 9.293 -1.956 -3.574 1.00 0.00 H new ATOM 0 HA ALA A 23 7.664 0.169 -4.734 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.739 1.487 -4.475 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.269 0.689 -2.955 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.595 0.022 -3.938 1.00 0.00 H new ATOM 368 N ALA A 24 8.362 0.130 -7.109 1.00 0.00 N ATOM 369 CA ALA A 24 8.686 0.036 -8.532 1.00 0.00 C ATOM 370 C ALA A 24 8.638 1.405 -9.208 1.00 0.00 C ATOM 371 O ALA A 24 7.795 2.243 -8.878 1.00 0.00 O ATOM 372 CB ALA A 24 7.737 -0.932 -9.226 1.00 0.00 C ATOM 0 H ALA A 24 7.558 0.721 -6.898 1.00 0.00 H new ATOM 0 HA ALA A 24 9.705 -0.342 -8.619 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.989 -0.993 -10.285 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.830 -1.919 -8.774 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.712 -0.578 -9.117 1.00 0.00 H new ATOM 378 N LYS A 25 9.548 1.621 -10.159 1.00 0.00 N ATOM 379 CA LYS A 25 9.620 2.885 -10.891 1.00 0.00 C ATOM 380 C LYS A 25 9.427 2.664 -12.394 1.00 0.00 C ATOM 381 O LYS A 25 9.236 1.532 -12.845 1.00 0.00 O ATOM 382 CB LYS A 25 10.967 3.568 -10.631 1.00 0.00 C ATOM 383 CG LYS A 25 10.849 5.051 -10.315 1.00 0.00 C ATOM 384 CD LYS A 25 12.072 5.819 -10.787 1.00 0.00 C ATOM 385 CE LYS A 25 11.978 7.294 -10.426 1.00 0.00 C ATOM 386 NZ LYS A 25 12.783 8.147 -11.345 1.00 0.00 N ATOM 0 H LYS A 25 10.247 0.934 -10.441 1.00 0.00 H new ATOM 0 HA LYS A 25 8.815 3.529 -10.535 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.464 3.067 -9.800 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.604 3.442 -11.507 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.957 5.456 -10.792 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.725 5.187 -9.241 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.968 5.390 -10.338 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.175 5.714 -11.867 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.935 7.609 -10.459 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.322 7.439 -9.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.480 8.688 -10.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.277 7.545 -12.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.154 8.805 -11.848 1.00 0.00 H new ATOM 400 N GLY A 26 9.480 3.754 -13.163 1.00 0.00 N ATOM 401 CA GLY A 26 9.313 3.665 -14.601 1.00 0.00 C ATOM 402 C GLY A 26 9.743 4.937 -15.294 1.00 0.00 C ATOM 403 O GLY A 26 10.744 5.551 -14.912 1.00 0.00 O ATOM 0 H GLY A 26 9.636 4.698 -12.810 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.896 2.827 -14.984 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.268 3.459 -14.834 1.00 0.00 H new ATOM 407 N ALA A 27 8.983 5.344 -16.301 1.00 0.00 N ATOM 408 CA ALA A 27 9.289 6.564 -17.036 1.00 0.00 C ATOM 409 C ALA A 27 8.268 7.653 -16.726 1.00 0.00 C ATOM 410 O ALA A 27 7.114 7.360 -16.402 1.00 0.00 O ATOM 411 CB ALA A 27 9.347 6.293 -18.533 1.00 0.00 C ATOM 0 H ALA A 27 8.153 4.849 -16.627 1.00 0.00 H new ATOM 0 HA ALA A 27 10.270 6.915 -16.715 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.577 7.218 -19.062 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.122 5.555 -18.739 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.384 5.912 -18.871 1.00 0.00 H new ATOM 417 N GLY A 28 8.702 8.912 -16.809 1.00 0.00 N ATOM 418 CA GLY A 28 7.814 10.027 -16.515 1.00 0.00 C ATOM 419 C GLY A 28 7.276 9.955 -15.098 1.00 0.00 C ATOM 420 O GLY A 28 6.108 10.260 -14.850 1.00 0.00 O ATOM 0 H GLY A 28 9.650 9.178 -17.074 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.350 10.966 -16.654 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.983 10.027 -17.221 1.00 0.00 H new ATOM 424 N GLN A 29 8.134 9.531 -14.170 1.00 0.00 N ATOM 425 CA GLN A 29 7.754 9.392 -12.773 1.00 0.00 C ATOM 426 C GLN A 29 8.808 10.008 -11.860 1.00 0.00 C ATOM 427 O GLN A 29 9.896 9.453 -11.690 1.00 0.00 O ATOM 428 CB GLN A 29 7.572 7.914 -12.427 1.00 0.00 C ATOM 429 CG GLN A 29 6.523 7.662 -11.357 1.00 0.00 C ATOM 430 CD GLN A 29 5.320 6.906 -11.887 1.00 0.00 C ATOM 431 OE1 GLN A 29 4.176 7.311 -11.676 1.00 0.00 O ATOM 432 NE2 GLN A 29 5.570 5.799 -12.579 1.00 0.00 N ATOM 0 H GLN A 29 9.102 9.278 -14.367 1.00 0.00 H new ATOM 0 HA GLN A 29 6.812 9.920 -12.620 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.295 7.370 -13.330 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.526 7.509 -12.091 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.971 7.097 -10.540 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.195 8.616 -10.943 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.533 5.499 -12.731 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.799 5.250 -12.958 1.00 0.00 H new ATOM 441 N ASP A 30 8.478 11.154 -11.268 1.00 0.00 N ATOM 442 CA ASP A 30 9.397 11.841 -10.361 1.00 0.00 C ATOM 443 C ASP A 30 9.202 11.386 -8.912 1.00 0.00 C ATOM 444 O ASP A 30 9.624 12.066 -7.974 1.00 0.00 O ATOM 445 CB ASP A 30 9.210 13.357 -10.466 1.00 0.00 C ATOM 446 CG ASP A 30 10.424 14.126 -9.981 1.00 0.00 C ATOM 447 OD1 ASP A 30 11.482 14.043 -10.639 1.00 0.00 O ATOM 448 OD2 ASP A 30 10.317 14.811 -8.941 1.00 0.00 O ATOM 0 H ASP A 30 7.583 11.626 -11.399 1.00 0.00 H new ATOM 0 HA ASP A 30 10.413 11.583 -10.659 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.005 13.624 -11.503 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.339 13.654 -9.882 1.00 0.00 H new ATOM 453 N LYS A 31 8.570 10.226 -8.737 1.00 0.00 N ATOM 454 CA LYS A 31 8.321 9.670 -7.412 1.00 0.00 C ATOM 455 C LYS A 31 8.423 8.142 -7.444 1.00 0.00 C ATOM 456 O LYS A 31 8.865 7.564 -8.441 1.00 0.00 O ATOM 457 CB LYS A 31 6.936 10.097 -6.907 1.00 0.00 C ATOM 458 CG LYS A 31 6.663 11.592 -7.031 1.00 0.00 C ATOM 459 CD LYS A 31 7.438 12.392 -5.994 1.00 0.00 C ATOM 460 CE LYS A 31 7.565 13.857 -6.390 1.00 0.00 C ATOM 461 NZ LYS A 31 8.941 14.379 -6.158 1.00 0.00 N ATOM 0 H LYS A 31 8.220 9.651 -9.504 1.00 0.00 H new ATOM 0 HA LYS A 31 9.078 10.055 -6.729 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.174 9.552 -7.464 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.836 9.806 -5.861 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.936 11.930 -8.031 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.596 11.778 -6.912 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.937 12.318 -5.029 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.432 11.961 -5.871 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.306 13.972 -7.442 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.851 14.450 -5.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.004 15.358 -6.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.154 14.356 -5.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.627 13.788 -6.669 1.00 0.00 H new ATOM 475 N LEU A 32 8.012 7.492 -6.353 1.00 0.00 N ATOM 476 CA LEU A 32 8.057 6.033 -6.261 1.00 0.00 C ATOM 477 C LEU A 32 6.709 5.472 -5.814 1.00 0.00 C ATOM 478 O LEU A 32 6.023 6.071 -4.981 1.00 0.00 O ATOM 479 CB LEU A 32 9.157 5.595 -5.288 1.00 0.00 C ATOM 480 CG LEU A 32 9.787 4.231 -5.586 1.00 0.00 C ATOM 481 CD1 LEU A 32 10.322 4.188 -7.011 1.00 0.00 C ATOM 482 CD2 LEU A 32 10.897 3.927 -4.588 1.00 0.00 C ATOM 0 H LEU A 32 7.644 7.954 -5.521 1.00 0.00 H new ATOM 0 HA LEU A 32 8.281 5.638 -7.252 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.944 6.349 -5.291 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.741 5.573 -4.281 1.00 0.00 H new ATOM 0 HG LEU A 32 9.016 3.467 -5.487 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.766 3.211 -7.204 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.505 4.360 -7.712 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.079 4.962 -7.139 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.334 2.954 -4.814 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.667 4.695 -4.656 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.485 3.914 -3.579 1.00 0.00 H new ATOM 494 N GLY A 33 6.334 4.321 -6.375 1.00 0.00 N ATOM 495 CA GLY A 33 5.068 3.699 -6.026 1.00 0.00 C ATOM 496 C GLY A 33 5.242 2.434 -5.203 1.00 0.00 C ATOM 497 O GLY A 33 5.990 1.535 -5.590 1.00 0.00 O ATOM 0 H GLY A 33 6.886 3.810 -7.064 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.461 4.411 -5.467 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.521 3.461 -6.938 1.00 0.00 H new ATOM 501 N ILE A 34 4.543 2.363 -4.070 1.00 0.00 N ATOM 502 CA ILE A 34 4.618 1.199 -3.193 1.00 0.00 C ATOM 503 C ILE A 34 3.523 0.196 -3.550 1.00 0.00 C ATOM 504 O ILE A 34 2.401 0.274 -3.051 1.00 0.00 O ATOM 505 CB ILE A 34 4.496 1.601 -1.704 1.00 0.00 C ATOM 506 CG1 ILE A 34 5.718 2.419 -1.270 1.00 0.00 C ATOM 507 CG2 ILE A 34 4.345 0.369 -0.821 1.00 0.00 C ATOM 508 CD1 ILE A 34 5.831 3.760 -1.961 1.00 0.00 C ATOM 0 H ILE A 34 3.919 3.099 -3.740 1.00 0.00 H new ATOM 0 HA ILE A 34 5.594 0.737 -3.340 1.00 0.00 H new ATOM 0 HB ILE A 34 3.603 2.216 -1.589 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.673 2.578 -0.193 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.620 1.841 -1.469 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.261 0.677 0.221 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.448 -0.179 -1.111 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.217 -0.273 -0.941 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.719 4.280 -1.603 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.909 3.609 -3.038 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.947 4.358 -1.741 1.00 0.00 H new ATOM 520 N TYR A 35 3.861 -0.736 -4.431 1.00 0.00 N ATOM 521 CA TYR A 35 2.917 -1.758 -4.884 1.00 0.00 C ATOM 522 C TYR A 35 2.790 -2.896 -3.870 1.00 0.00 C ATOM 523 O TYR A 35 3.592 -3.002 -2.946 1.00 0.00 O ATOM 524 CB TYR A 35 3.365 -2.313 -6.238 1.00 0.00 C ATOM 525 CG TYR A 35 3.529 -1.251 -7.303 1.00 0.00 C ATOM 526 CD1 TYR A 35 2.456 -0.865 -8.094 1.00 0.00 C ATOM 527 CD2 TYR A 35 4.755 -0.629 -7.510 1.00 0.00 C ATOM 528 CE1 TYR A 35 2.599 0.107 -9.065 1.00 0.00 C ATOM 529 CE2 TYR A 35 4.905 0.345 -8.478 1.00 0.00 C ATOM 530 CZ TYR A 35 3.825 0.710 -9.253 1.00 0.00 C ATOM 531 OH TYR A 35 3.973 1.677 -10.220 1.00 0.00 O ATOM 0 H TYR A 35 4.788 -0.808 -4.851 1.00 0.00 H new ATOM 0 HA TYR A 35 1.938 -1.290 -4.985 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.312 -2.838 -6.111 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.636 -3.048 -6.579 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.493 -1.332 -7.948 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.603 -0.912 -6.905 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.755 0.393 -9.674 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.864 0.818 -8.627 1.00 0.00 H new ATOM 0 HH TYR A 35 4.898 2.000 -10.221 1.00 0.00 H new ATOM 541 N VAL A 36 1.781 -3.749 -4.056 1.00 0.00 N ATOM 542 CA VAL A 36 1.556 -4.884 -3.161 1.00 0.00 C ATOM 543 C VAL A 36 2.208 -6.152 -3.707 1.00 0.00 C ATOM 544 O VAL A 36 1.974 -6.541 -4.852 1.00 0.00 O ATOM 545 CB VAL A 36 0.052 -5.154 -2.941 1.00 0.00 C ATOM 546 CG1 VAL A 36 -0.151 -6.274 -1.929 1.00 0.00 C ATOM 547 CG2 VAL A 36 -0.663 -3.888 -2.493 1.00 0.00 C ATOM 0 H VAL A 36 1.107 -3.675 -4.818 1.00 0.00 H new ATOM 0 HA VAL A 36 2.010 -4.619 -2.206 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.380 -5.470 -3.891 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.218 -6.448 -1.788 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.321 -7.186 -2.296 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.299 -5.991 -0.977 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.721 -4.101 -2.344 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.228 -3.536 -1.557 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.552 -3.118 -3.256 1.00 0.00 H new ATOM 557 N LYS A 37 3.014 -6.794 -2.869 1.00 0.00 N ATOM 558 CA LYS A 37 3.698 -8.026 -3.244 1.00 0.00 C ATOM 559 C LYS A 37 2.757 -9.224 -3.124 1.00 0.00 C ATOM 560 O LYS A 37 2.652 -10.034 -4.046 1.00 0.00 O ATOM 561 CB LYS A 37 4.925 -8.233 -2.351 1.00 0.00 C ATOM 562 CG LYS A 37 5.758 -9.450 -2.721 1.00 0.00 C ATOM 563 CD LYS A 37 6.440 -9.279 -4.071 1.00 0.00 C ATOM 564 CE LYS A 37 6.731 -10.621 -4.728 1.00 0.00 C ATOM 565 NZ LYS A 37 6.485 -10.588 -6.197 1.00 0.00 N ATOM 0 H LYS A 37 3.211 -6.479 -1.919 1.00 0.00 H new ATOM 0 HA LYS A 37 4.019 -7.942 -4.282 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.554 -7.345 -2.403 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.597 -8.331 -1.316 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.511 -9.622 -1.952 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.120 -10.333 -2.745 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.805 -8.683 -4.727 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.371 -8.728 -3.941 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.768 -10.899 -4.540 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.107 -11.390 -4.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.695 -11.521 -6.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.489 -10.348 -6.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.099 -9.872 -6.636 1.00 0.00 H new ATOM 579 N SER A 38 2.077 -9.328 -1.978 1.00 0.00 N ATOM 580 CA SER A 38 1.145 -10.427 -1.729 1.00 0.00 C ATOM 581 C SER A 38 0.486 -10.290 -0.356 1.00 0.00 C ATOM 582 O SER A 38 1.143 -10.448 0.675 1.00 0.00 O ATOM 583 CB SER A 38 1.869 -11.778 -1.829 1.00 0.00 C ATOM 584 OG SER A 38 2.995 -11.829 -0.966 1.00 0.00 O ATOM 0 H SER A 38 2.156 -8.663 -1.209 1.00 0.00 H new ATOM 0 HA SER A 38 0.366 -10.383 -2.490 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.178 -12.582 -1.576 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.189 -11.945 -2.857 1.00 0.00 H new ATOM 0 HG SER A 38 2.783 -11.373 -0.125 1.00 0.00 H new ATOM 590 N VAL A 39 -0.815 -10.002 -0.349 1.00 0.00 N ATOM 591 CA VAL A 39 -1.556 -9.855 0.902 1.00 0.00 C ATOM 592 C VAL A 39 -1.790 -11.214 1.556 1.00 0.00 C ATOM 593 O VAL A 39 -2.259 -12.153 0.908 1.00 0.00 O ATOM 594 CB VAL A 39 -2.913 -9.149 0.691 1.00 0.00 C ATOM 595 CG1 VAL A 39 -2.704 -7.666 0.418 1.00 0.00 C ATOM 596 CG2 VAL A 39 -3.702 -9.803 -0.437 1.00 0.00 C ATOM 0 H VAL A 39 -1.375 -9.867 -1.191 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.946 -9.234 1.558 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.496 -9.252 1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.670 -7.183 0.272 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.194 -7.208 1.266 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.097 -7.543 -0.479 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.653 -9.286 -0.563 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.130 -9.743 -1.363 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.888 -10.849 -0.192 1.00 0.00 H new ATOM 606 N VAL A 40 -1.451 -11.315 2.839 1.00 0.00 N ATOM 607 CA VAL A 40 -1.614 -12.564 3.580 1.00 0.00 C ATOM 608 C VAL A 40 -3.068 -12.772 3.999 1.00 0.00 C ATOM 609 O VAL A 40 -3.759 -11.824 4.379 1.00 0.00 O ATOM 610 CB VAL A 40 -0.718 -12.603 4.838 1.00 0.00 C ATOM 611 CG1 VAL A 40 -0.713 -13.993 5.454 1.00 0.00 C ATOM 612 CG2 VAL A 40 0.701 -12.157 4.509 1.00 0.00 C ATOM 0 H VAL A 40 -1.062 -10.548 3.387 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.312 -13.367 2.907 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.132 -11.907 5.568 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.076 -13.997 6.338 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.729 -14.269 5.738 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.331 -14.711 4.728 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.312 -12.193 5.411 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.126 -12.821 3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.682 -11.137 4.124 1.00 0.00 H new ATOM 622 N LYS A 41 -3.522 -14.022 3.930 1.00 0.00 N ATOM 623 CA LYS A 41 -4.892 -14.368 4.303 1.00 0.00 C ATOM 624 C LYS A 41 -5.084 -14.294 5.814 1.00 0.00 C ATOM 625 O LYS A 41 -4.140 -14.491 6.581 1.00 0.00 O ATOM 626 CB LYS A 41 -5.236 -15.775 3.810 1.00 0.00 C ATOM 627 CG LYS A 41 -6.025 -15.792 2.512 1.00 0.00 C ATOM 628 CD LYS A 41 -5.188 -15.295 1.344 1.00 0.00 C ATOM 629 CE LYS A 41 -5.483 -16.075 0.072 1.00 0.00 C ATOM 630 NZ LYS A 41 -4.282 -16.800 -0.431 1.00 0.00 N ATOM 0 H LYS A 41 -2.959 -14.814 3.618 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.560 -13.646 3.833 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.313 -16.337 3.671 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.810 -16.290 4.580 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.370 -16.806 2.308 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.913 -15.168 2.616 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.388 -14.237 1.177 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.130 -15.385 1.590 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.284 -16.789 0.263 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.842 -15.391 -0.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.527 -17.318 -1.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.526 -16.117 -0.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.954 -17.472 0.292 1.00 0.00 H new ATOM 644 N GLY A 42 -6.315 -14.010 6.233 1.00 0.00 N ATOM 645 CA GLY A 42 -6.616 -13.914 7.651 1.00 0.00 C ATOM 646 C GLY A 42 -6.616 -12.483 8.155 1.00 0.00 C ATOM 647 O GLY A 42 -7.441 -12.118 8.995 1.00 0.00 O ATOM 0 H GLY A 42 -7.110 -13.845 5.615 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.591 -14.362 7.842 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.883 -14.493 8.214 1.00 0.00 H new ATOM 651 N GLY A 43 -5.694 -11.668 7.641 1.00 0.00 N ATOM 652 CA GLY A 43 -5.614 -10.278 8.052 1.00 0.00 C ATOM 653 C GLY A 43 -6.873 -9.497 7.706 1.00 0.00 C ATOM 654 O GLY A 43 -7.571 -9.828 6.745 1.00 0.00 O ATOM 0 H GLY A 43 -5.001 -11.948 6.947 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.444 -10.229 9.128 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.755 -9.809 7.572 1.00 0.00 H new ATOM 658 N ALA A 44 -7.163 -8.461 8.493 1.00 0.00 N ATOM 659 CA ALA A 44 -8.347 -7.623 8.277 1.00 0.00 C ATOM 660 C ALA A 44 -8.440 -7.126 6.831 1.00 0.00 C ATOM 661 O ALA A 44 -9.536 -7.028 6.273 1.00 0.00 O ATOM 662 CB ALA A 44 -8.340 -6.446 9.242 1.00 0.00 C ATOM 0 H ALA A 44 -6.592 -8.179 9.290 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.226 -8.239 8.467 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.224 -5.831 9.072 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.347 -6.816 10.267 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.444 -5.847 9.079 1.00 0.00 H new ATOM 668 N ALA A 45 -7.289 -6.817 6.228 1.00 0.00 N ATOM 669 CA ALA A 45 -7.249 -6.338 4.845 1.00 0.00 C ATOM 670 C ALA A 45 -7.696 -7.428 3.871 1.00 0.00 C ATOM 671 O ALA A 45 -8.358 -7.146 2.871 1.00 0.00 O ATOM 672 CB ALA A 45 -5.848 -5.859 4.490 1.00 0.00 C ATOM 0 H ALA A 45 -6.375 -6.890 6.675 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.942 -5.501 4.759 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.835 -5.506 3.459 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.562 -5.045 5.156 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.143 -6.683 4.601 1.00 0.00 H new ATOM 678 N ASP A 46 -7.326 -8.673 4.170 1.00 0.00 N ATOM 679 CA ASP A 46 -7.685 -9.808 3.322 1.00 0.00 C ATOM 680 C ASP A 46 -9.137 -10.234 3.541 1.00 0.00 C ATOM 681 O ASP A 46 -9.838 -10.578 2.589 1.00 0.00 O ATOM 682 CB ASP A 46 -6.755 -10.992 3.593 1.00 0.00 C ATOM 683 CG ASP A 46 -6.599 -11.890 2.382 1.00 0.00 C ATOM 684 OD1 ASP A 46 -7.467 -12.765 2.176 1.00 0.00 O ATOM 685 OD2 ASP A 46 -5.611 -11.720 1.638 1.00 0.00 O ATOM 0 H ASP A 46 -6.778 -8.921 4.994 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.574 -9.490 2.285 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.776 -10.620 3.895 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.146 -11.575 4.427 1.00 0.00 H new ATOM 690 N VAL A 47 -9.579 -10.216 4.797 1.00 0.00 N ATOM 691 CA VAL A 47 -10.947 -10.608 5.138 1.00 0.00 C ATOM 692 C VAL A 47 -11.978 -9.740 4.414 1.00 0.00 C ATOM 693 O VAL A 47 -13.053 -10.219 4.045 1.00 0.00 O ATOM 694 CB VAL A 47 -11.196 -10.524 6.660 1.00 0.00 C ATOM 695 CG1 VAL A 47 -12.586 -11.042 7.010 1.00 0.00 C ATOM 696 CG2 VAL A 47 -10.124 -11.292 7.424 1.00 0.00 C ATOM 0 H VAL A 47 -9.011 -9.934 5.596 1.00 0.00 H new ATOM 0 HA VAL A 47 -11.063 -11.642 4.814 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.141 -9.477 6.957 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.739 -10.973 8.087 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -13.338 -10.442 6.497 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -12.676 -12.082 6.696 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.318 -11.220 8.494 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.141 -12.339 7.122 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.145 -10.867 7.203 1.00 0.00 H new ATOM 706 N ASP A 48 -11.644 -8.464 4.210 1.00 0.00 N ATOM 707 CA ASP A 48 -12.544 -7.538 3.529 1.00 0.00 C ATOM 708 C ASP A 48 -12.687 -7.904 2.053 1.00 0.00 C ATOM 709 O ASP A 48 -13.797 -8.114 1.561 1.00 0.00 O ATOM 710 CB ASP A 48 -12.035 -6.095 3.670 1.00 0.00 C ATOM 711 CG ASP A 48 -13.096 -5.049 3.356 1.00 0.00 C ATOM 712 OD1 ASP A 48 -14.160 -5.415 2.812 1.00 0.00 O ATOM 713 OD2 ASP A 48 -12.858 -3.859 3.655 1.00 0.00 O ATOM 0 H ASP A 48 -10.759 -8.052 4.506 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.525 -7.613 3.998 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.674 -5.942 4.687 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.184 -5.951 3.004 1.00 0.00 H new ATOM 718 N GLY A 49 -11.558 -7.978 1.352 1.00 0.00 N ATOM 719 CA GLY A 49 -11.581 -8.318 -0.060 1.00 0.00 C ATOM 720 C GLY A 49 -11.724 -7.098 -0.955 1.00 0.00 C ATOM 721 O GLY A 49 -12.321 -7.181 -2.029 1.00 0.00 O ATOM 0 H GLY A 49 -10.629 -7.809 1.737 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.663 -8.847 -0.317 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.407 -9.003 -0.251 1.00 0.00 H new ATOM 725 N ARG A 50 -11.172 -5.964 -0.516 1.00 0.00 N ATOM 726 CA ARG A 50 -11.240 -4.725 -1.291 1.00 0.00 C ATOM 727 C ARG A 50 -10.066 -4.626 -2.265 1.00 0.00 C ATOM 728 O ARG A 50 -10.241 -4.246 -3.425 1.00 0.00 O ATOM 729 CB ARG A 50 -11.248 -3.504 -0.361 1.00 0.00 C ATOM 730 CG ARG A 50 -12.486 -3.407 0.517 1.00 0.00 C ATOM 731 CD ARG A 50 -13.728 -3.080 -0.299 1.00 0.00 C ATOM 732 NE ARG A 50 -14.756 -2.410 0.499 1.00 0.00 N ATOM 733 CZ ARG A 50 -16.038 -2.301 0.134 1.00 0.00 C ATOM 734 NH1 ARG A 50 -16.463 -2.820 -1.014 1.00 0.00 N ATOM 735 NH2 ARG A 50 -16.898 -1.670 0.925 1.00 0.00 N ATOM 0 H ARG A 50 -10.674 -5.879 0.370 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.168 -4.740 -1.863 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -10.364 -3.539 0.276 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.170 -2.599 -0.964 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.634 -4.350 1.044 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.336 -2.639 1.275 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -13.451 -2.443 -1.139 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.138 -3.999 -0.717 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.477 -2.000 1.390 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.809 -3.307 -1.626 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -17.443 -2.731 -1.282 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -16.580 -1.270 1.808 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.876 -1.585 0.650 1.00 0.00 H new ATOM 749 N LEU A 51 -8.873 -4.971 -1.782 1.00 0.00 N ATOM 750 CA LEU A 51 -7.663 -4.927 -2.600 1.00 0.00 C ATOM 751 C LEU A 51 -7.065 -6.327 -2.766 1.00 0.00 C ATOM 752 O LEU A 51 -7.613 -7.309 -2.261 1.00 0.00 O ATOM 753 CB LEU A 51 -6.633 -3.988 -1.965 1.00 0.00 C ATOM 754 CG LEU A 51 -6.103 -4.431 -0.599 1.00 0.00 C ATOM 755 CD1 LEU A 51 -4.583 -4.481 -0.606 1.00 0.00 C ATOM 756 CD2 LEU A 51 -6.605 -3.499 0.495 1.00 0.00 C ATOM 0 H LEU A 51 -8.719 -5.285 -0.824 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.931 -4.550 -3.587 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.790 -3.884 -2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.082 -3.000 -1.860 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.476 -5.434 -0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.225 -4.798 0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.246 -5.190 -1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.187 -3.491 -0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.219 -3.829 1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.262 -2.484 0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.695 -3.516 0.516 1.00 0.00 H new ATOM 768 N ALA A 52 -5.937 -6.407 -3.477 1.00 0.00 N ATOM 769 CA ALA A 52 -5.262 -7.683 -3.713 1.00 0.00 C ATOM 770 C ALA A 52 -3.784 -7.478 -4.050 1.00 0.00 C ATOM 771 O ALA A 52 -3.289 -6.348 -4.050 1.00 0.00 O ATOM 772 CB ALA A 52 -5.957 -8.441 -4.836 1.00 0.00 C ATOM 0 H ALA A 52 -5.473 -5.602 -3.899 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.318 -8.269 -2.796 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.447 -9.390 -5.004 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.994 -8.630 -4.560 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.928 -7.846 -5.749 1.00 0.00 H new ATOM 778 N ALA A 53 -3.087 -8.578 -4.338 1.00 0.00 N ATOM 779 CA ALA A 53 -1.668 -8.521 -4.682 1.00 0.00 C ATOM 780 C ALA A 53 -1.465 -7.944 -6.082 1.00 0.00 C ATOM 781 O ALA A 53 -2.369 -7.987 -6.919 1.00 0.00 O ATOM 782 CB ALA A 53 -1.042 -9.904 -4.589 1.00 0.00 C ATOM 0 H ALA A 53 -3.483 -9.518 -4.340 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.176 -7.862 -3.967 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.015 -9.843 -4.848 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.145 -10.282 -3.572 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.547 -10.579 -5.280 1.00 0.00 H new ATOM 788 N GLY A 54 -0.272 -7.406 -6.329 1.00 0.00 N ATOM 789 CA GLY A 54 0.029 -6.826 -7.628 1.00 0.00 C ATOM 790 C GLY A 54 -0.694 -5.509 -7.866 1.00 0.00 C ATOM 791 O GLY A 54 -0.958 -5.140 -9.011 1.00 0.00 O ATOM 0 H GLY A 54 0.491 -7.361 -5.653 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.104 -6.665 -7.709 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.247 -7.534 -8.410 1.00 0.00 H new ATOM 795 N ASP A 55 -1.009 -4.796 -6.784 1.00 0.00 N ATOM 796 CA ASP A 55 -1.698 -3.512 -6.878 1.00 0.00 C ATOM 797 C ASP A 55 -0.756 -2.369 -6.507 1.00 0.00 C ATOM 798 O ASP A 55 0.363 -2.606 -6.053 1.00 0.00 O ATOM 799 CB ASP A 55 -2.924 -3.499 -5.957 1.00 0.00 C ATOM 800 CG ASP A 55 -4.174 -4.030 -6.634 1.00 0.00 C ATOM 801 OD1 ASP A 55 -4.397 -3.704 -7.820 1.00 0.00 O ATOM 802 OD2 ASP A 55 -4.936 -4.770 -5.975 1.00 0.00 O ATOM 0 H ASP A 55 -0.796 -5.089 -5.830 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.026 -3.373 -7.908 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.714 -4.098 -5.071 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.106 -2.480 -5.616 1.00 0.00 H new ATOM 807 N GLN A 56 -1.213 -1.130 -6.694 1.00 0.00 N ATOM 808 CA GLN A 56 -0.403 0.044 -6.368 1.00 0.00 C ATOM 809 C GLN A 56 -0.970 0.774 -5.151 1.00 0.00 C ATOM 810 O GLN A 56 -2.182 0.792 -4.940 1.00 0.00 O ATOM 811 CB GLN A 56 -0.331 1.000 -7.563 1.00 0.00 C ATOM 812 CG GLN A 56 0.724 2.087 -7.408 1.00 0.00 C ATOM 813 CD GLN A 56 0.145 3.428 -6.994 1.00 0.00 C ATOM 814 OE1 GLN A 56 -1.071 3.594 -6.889 1.00 0.00 O ATOM 815 NE2 GLN A 56 1.020 4.397 -6.754 1.00 0.00 N ATOM 0 H GLN A 56 -2.137 -0.914 -7.068 1.00 0.00 H new ATOM 0 HA GLN A 56 0.604 -0.299 -6.131 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.120 0.426 -8.465 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.305 1.468 -7.703 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.456 1.770 -6.666 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.257 2.204 -8.352 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.019 4.218 -6.853 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.693 5.321 -6.471 1.00 0.00 H new ATOM 824 N LEU A 57 -0.087 1.378 -4.357 1.00 0.00 N ATOM 825 CA LEU A 57 -0.508 2.110 -3.163 1.00 0.00 C ATOM 826 C LEU A 57 -0.184 3.598 -3.281 1.00 0.00 C ATOM 827 O LEU A 57 0.857 3.978 -3.822 1.00 0.00 O ATOM 828 CB LEU A 57 0.149 1.525 -1.912 1.00 0.00 C ATOM 829 CG LEU A 57 -0.683 1.649 -0.634 1.00 0.00 C ATOM 830 CD1 LEU A 57 -1.612 0.454 -0.482 1.00 0.00 C ATOM 831 CD2 LEU A 57 0.223 1.785 0.581 1.00 0.00 C ATOM 0 H LEU A 57 0.920 1.375 -4.518 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.589 2.004 -3.075 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.362 0.471 -2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.107 2.022 -1.755 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.295 2.548 -0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.195 0.561 0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.285 0.405 -1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.022 -0.461 -0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.386 1.872 1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.862 0.905 0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.843 2.675 0.475 1.00 0.00 H new ATOM 843 N LEU A 58 -1.091 4.432 -2.772 1.00 0.00 N ATOM 844 CA LEU A 58 -0.920 5.884 -2.819 1.00 0.00 C ATOM 845 C LEU A 58 -0.569 6.449 -1.443 1.00 0.00 C ATOM 846 O LEU A 58 0.447 7.131 -1.286 1.00 0.00 O ATOM 847 CB LEU A 58 -2.199 6.551 -3.340 1.00 0.00 C ATOM 848 CG LEU A 58 -2.022 7.446 -4.572 1.00 0.00 C ATOM 849 CD1 LEU A 58 -3.352 8.072 -4.969 1.00 0.00 C ATOM 850 CD2 LEU A 58 -0.984 8.529 -4.309 1.00 0.00 C ATOM 0 H LEU A 58 -1.953 4.126 -2.321 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.095 6.099 -3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.923 5.772 -3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.629 7.149 -2.537 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.668 6.826 -5.396 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.209 8.704 -5.845 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.069 7.285 -5.202 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.731 8.675 -4.144 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.875 9.152 -5.197 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.306 9.146 -3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.027 8.065 -4.071 1.00 0.00 H new ATOM 862 N SER A 59 -1.421 6.180 -0.449 1.00 0.00 N ATOM 863 CA SER A 59 -1.198 6.682 0.906 1.00 0.00 C ATOM 864 C SER A 59 -1.718 5.711 1.969 1.00 0.00 C ATOM 865 O SER A 59 -2.613 4.902 1.709 1.00 0.00 O ATOM 866 CB SER A 59 -1.868 8.052 1.069 1.00 0.00 C ATOM 867 OG SER A 59 -2.082 8.367 2.435 1.00 0.00 O ATOM 0 H SER A 59 -2.267 5.620 -0.558 1.00 0.00 H new ATOM 0 HA SER A 59 -0.122 6.780 1.052 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.245 8.820 0.611 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.821 8.057 0.540 1.00 0.00 H new ATOM 0 HG SER A 59 -1.507 9.118 2.692 1.00 0.00 H new ATOM 873 N VAL A 60 -1.151 5.816 3.175 1.00 0.00 N ATOM 874 CA VAL A 60 -1.544 4.971 4.300 1.00 0.00 C ATOM 875 C VAL A 60 -1.753 5.814 5.555 1.00 0.00 C ATOM 876 O VAL A 60 -0.836 6.502 6.007 1.00 0.00 O ATOM 877 CB VAL A 60 -0.490 3.886 4.607 1.00 0.00 C ATOM 878 CG1 VAL A 60 -0.983 2.960 5.711 1.00 0.00 C ATOM 879 CG2 VAL A 60 -0.139 3.098 3.353 1.00 0.00 C ATOM 0 H VAL A 60 -0.413 6.485 3.395 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.475 4.482 4.013 1.00 0.00 H new ATOM 0 HB VAL A 60 0.417 4.380 4.955 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.227 2.201 5.914 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.168 3.539 6.616 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.907 2.476 5.394 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.606 2.340 3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.035 2.615 2.964 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.265 3.774 2.599 1.00 0.00 H new ATOM 889 N ASP A 61 -2.962 5.753 6.111 1.00 0.00 N ATOM 890 CA ASP A 61 -3.302 6.506 7.319 1.00 0.00 C ATOM 891 C ASP A 61 -3.141 8.016 7.098 1.00 0.00 C ATOM 892 O ASP A 61 -2.749 8.748 8.010 1.00 0.00 O ATOM 893 CB ASP A 61 -2.430 6.044 8.496 1.00 0.00 C ATOM 894 CG ASP A 61 -3.201 5.966 9.802 1.00 0.00 C ATOM 895 OD1 ASP A 61 -4.291 5.355 9.815 1.00 0.00 O ATOM 896 OD2 ASP A 61 -2.710 6.509 10.814 1.00 0.00 O ATOM 0 H ASP A 61 -3.726 5.187 5.742 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.348 6.311 7.554 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.009 5.065 8.268 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.592 6.731 8.614 1.00 0.00 H new ATOM 901 N GLY A 62 -3.451 8.476 5.884 1.00 0.00 N ATOM 902 CA GLY A 62 -3.340 9.892 5.570 1.00 0.00 C ATOM 903 C GLY A 62 -1.900 10.374 5.468 1.00 0.00 C ATOM 904 O GLY A 62 -1.624 11.555 5.683 1.00 0.00 O ATOM 0 H GLY A 62 -3.777 7.892 5.114 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.850 10.089 4.627 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.856 10.469 6.338 1.00 0.00 H new ATOM 908 N ARG A 63 -0.980 9.467 5.133 1.00 0.00 N ATOM 909 CA ARG A 63 0.433 9.821 4.999 1.00 0.00 C ATOM 910 C ARG A 63 0.789 10.088 3.538 1.00 0.00 C ATOM 911 O ARG A 63 -0.071 10.022 2.658 1.00 0.00 O ATOM 912 CB ARG A 63 1.324 8.705 5.556 1.00 0.00 C ATOM 913 CG ARG A 63 1.262 8.568 7.068 1.00 0.00 C ATOM 914 CD ARG A 63 2.465 7.812 7.608 1.00 0.00 C ATOM 915 NE ARG A 63 2.077 6.762 8.550 1.00 0.00 N ATOM 916 CZ ARG A 63 1.729 6.987 9.819 1.00 0.00 C ATOM 917 NH1 ARG A 63 1.682 8.229 10.298 1.00 0.00 N ATOM 918 NH2 ARG A 63 1.421 5.965 10.610 1.00 0.00 N ATOM 0 H ARG A 63 -1.188 8.485 4.950 1.00 0.00 H new ATOM 0 HA ARG A 63 0.606 10.731 5.573 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.031 7.758 5.102 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.356 8.894 5.260 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.219 9.558 7.523 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.347 8.047 7.350 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.016 7.369 6.779 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.140 8.511 8.102 1.00 0.00 H new ATOM 0 HE ARG A 63 2.072 5.798 8.216 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.913 9.018 9.694 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.415 8.391 11.269 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.451 5.012 10.247 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.155 6.133 11.580 1.00 0.00 H new ATOM 932 N SER A 64 2.063 10.387 3.286 1.00 0.00 N ATOM 933 CA SER A 64 2.536 10.662 1.933 1.00 0.00 C ATOM 934 C SER A 64 3.633 9.681 1.530 1.00 0.00 C ATOM 935 O SER A 64 4.779 9.807 1.963 1.00 0.00 O ATOM 936 CB SER A 64 3.055 12.099 1.835 1.00 0.00 C ATOM 937 OG SER A 64 2.034 12.979 1.399 1.00 0.00 O ATOM 0 H SER A 64 2.786 10.445 4.003 1.00 0.00 H new ATOM 0 HA SER A 64 1.697 10.539 1.248 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.428 12.422 2.807 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.895 12.139 1.142 1.00 0.00 H new ATOM 0 HG SER A 64 2.389 13.891 1.346 1.00 0.00 H new ATOM 943 N LEU A 65 3.275 8.704 0.699 1.00 0.00 N ATOM 944 CA LEU A 65 4.235 7.703 0.235 1.00 0.00 C ATOM 945 C LEU A 65 4.583 7.913 -1.240 1.00 0.00 C ATOM 946 O LEU A 65 4.905 6.959 -1.952 1.00 0.00 O ATOM 947 CB LEU A 65 3.682 6.290 0.447 1.00 0.00 C ATOM 948 CG LEU A 65 3.136 6.007 1.848 1.00 0.00 C ATOM 949 CD1 LEU A 65 2.672 4.564 1.949 1.00 0.00 C ATOM 950 CD2 LEU A 65 4.185 6.313 2.910 1.00 0.00 C ATOM 0 H LEU A 65 2.330 8.584 0.334 1.00 0.00 H new ATOM 0 HA LEU A 65 5.146 7.819 0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.886 6.116 -0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.473 5.572 0.231 1.00 0.00 H new ATOM 0 HG LEU A 65 2.281 6.659 2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.286 4.375 2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.885 4.383 1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.512 3.897 1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.774 6.104 3.898 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.064 5.690 2.743 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.468 7.364 2.849 1.00 0.00 H new ATOM 962 N VAL A 66 4.523 9.168 -1.693 1.00 0.00 N ATOM 963 CA VAL A 66 4.835 9.497 -3.076 1.00 0.00 C ATOM 964 C VAL A 66 6.128 10.300 -3.165 1.00 0.00 C ATOM 965 O VAL A 66 6.149 11.507 -2.914 1.00 0.00 O ATOM 966 CB VAL A 66 3.684 10.278 -3.741 1.00 0.00 C ATOM 967 CG1 VAL A 66 4.100 10.800 -5.109 1.00 0.00 C ATOM 968 CG2 VAL A 66 2.454 9.393 -3.851 1.00 0.00 C ATOM 0 H VAL A 66 4.261 9.969 -1.118 1.00 0.00 H new ATOM 0 HA VAL A 66 4.966 8.557 -3.612 1.00 0.00 H new ATOM 0 HB VAL A 66 3.441 11.139 -3.118 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.271 11.347 -5.557 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.957 11.465 -5.000 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.371 9.962 -5.751 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.645 9.951 -4.322 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.689 8.517 -4.455 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.144 9.075 -2.855 1.00 0.00 H new ATOM 978 N GLY A 67 7.204 9.609 -3.520 1.00 0.00 N ATOM 979 CA GLY A 67 8.507 10.245 -3.639 1.00 0.00 C ATOM 980 C GLY A 67 9.466 9.825 -2.537 1.00 0.00 C ATOM 981 O GLY A 67 10.338 10.598 -2.135 1.00 0.00 O ATOM 0 H GLY A 67 7.199 8.611 -3.730 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.941 9.997 -4.607 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.382 11.328 -3.614 1.00 0.00 H new ATOM 985 N LEU A 68 9.303 8.591 -2.055 1.00 0.00 N ATOM 986 CA LEU A 68 10.153 8.045 -1.001 1.00 0.00 C ATOM 987 C LEU A 68 10.610 6.637 -1.366 1.00 0.00 C ATOM 988 O LEU A 68 10.236 6.104 -2.413 1.00 0.00 O ATOM 989 CB LEU A 68 9.398 7.996 0.330 1.00 0.00 C ATOM 990 CG LEU A 68 8.881 9.335 0.848 1.00 0.00 C ATOM 991 CD1 LEU A 68 7.661 9.114 1.728 1.00 0.00 C ATOM 992 CD2 LEU A 68 9.972 10.069 1.615 1.00 0.00 C ATOM 0 H LEU A 68 8.583 7.948 -2.383 1.00 0.00 H new ATOM 0 HA LEU A 68 11.021 8.696 -0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.551 7.318 0.221 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.056 7.565 1.084 1.00 0.00 H new ATOM 0 HG LEU A 68 8.592 9.953 -0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.298 10.074 2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.877 8.627 1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.932 8.482 2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.585 11.022 1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 68 10.292 9.462 2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.821 10.249 0.956 1.00 0.00 H new ATOM 1004 N SER A 69 11.404 6.031 -0.488 1.00 0.00 N ATOM 1005 CA SER A 69 11.894 4.679 -0.713 1.00 0.00 C ATOM 1006 C SER A 69 10.995 3.661 -0.016 1.00 0.00 C ATOM 1007 O SER A 69 10.139 4.020 0.797 1.00 0.00 O ATOM 1008 CB SER A 69 13.337 4.536 -0.221 1.00 0.00 C ATOM 1009 OG SER A 69 14.066 3.629 -1.033 1.00 0.00 O ATOM 0 H SER A 69 11.720 6.456 0.384 1.00 0.00 H new ATOM 0 HA SER A 69 11.875 4.485 -1.785 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.826 5.510 -0.230 1.00 0.00 H new ATOM 0 HB3 SER A 69 13.340 4.187 0.812 1.00 0.00 H new ATOM 0 HG SER A 69 14.985 3.557 -0.699 1.00 0.00 H new ATOM 1015 N GLN A 70 11.200 2.391 -0.342 1.00 0.00 N ATOM 1016 CA GLN A 70 10.420 1.302 0.240 1.00 0.00 C ATOM 1017 C GLN A 70 10.596 1.224 1.761 1.00 0.00 C ATOM 1018 O GLN A 70 9.750 0.661 2.455 1.00 0.00 O ATOM 1019 CB GLN A 70 10.838 -0.021 -0.404 1.00 0.00 C ATOM 1020 CG GLN A 70 10.005 -1.215 0.024 1.00 0.00 C ATOM 1021 CD GLN A 70 10.596 -2.525 -0.459 1.00 0.00 C ATOM 1022 OE1 GLN A 70 11.317 -2.561 -1.457 1.00 0.00 O ATOM 1023 NE2 GLN A 70 10.296 -3.610 0.244 1.00 0.00 N ATOM 0 H GLN A 70 11.906 2.086 -1.012 1.00 0.00 H new ATOM 0 HA GLN A 70 9.366 1.497 0.043 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.776 0.080 -1.488 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.883 -0.216 -0.161 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.928 -1.232 1.111 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.993 -1.109 -0.366 1.00 0.00 H new ATOM 0 HE21 GLN A 70 9.695 -3.536 1.065 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.667 -4.518 -0.036 1.00 0.00 H new ATOM 1032 N GLU A 71 11.692 1.788 2.273 1.00 0.00 N ATOM 1033 CA GLU A 71 11.970 1.776 3.708 1.00 0.00 C ATOM 1034 C GLU A 71 11.132 2.823 4.441 1.00 0.00 C ATOM 1035 O GLU A 71 10.663 2.587 5.555 1.00 0.00 O ATOM 1036 CB GLU A 71 13.458 2.041 3.954 1.00 0.00 C ATOM 1037 CG GLU A 71 13.913 1.736 5.373 1.00 0.00 C ATOM 1038 CD GLU A 71 15.328 1.192 5.426 1.00 0.00 C ATOM 1039 OE1 GLU A 71 16.270 1.954 5.120 1.00 0.00 O ATOM 1040 OE2 GLU A 71 15.495 0.005 5.774 1.00 0.00 O ATOM 0 H GLU A 71 12.402 2.259 1.713 1.00 0.00 H new ATOM 0 HA GLU A 71 11.705 0.792 4.096 1.00 0.00 H new ATOM 0 HB2 GLU A 71 14.044 1.440 3.258 1.00 0.00 H new ATOM 0 HB3 GLU A 71 13.672 3.086 3.731 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.854 2.644 5.973 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.232 1.013 5.822 1.00 0.00 H new ATOM 1047 N ARG A 72 10.954 3.980 3.807 1.00 0.00 N ATOM 1048 CA ARG A 72 10.181 5.068 4.394 1.00 0.00 C ATOM 1049 C ARG A 72 8.698 4.709 4.487 1.00 0.00 C ATOM 1050 O ARG A 72 8.111 4.741 5.571 1.00 0.00 O ATOM 1051 CB ARG A 72 10.369 6.344 3.564 1.00 0.00 C ATOM 1052 CG ARG A 72 10.703 7.576 4.389 1.00 0.00 C ATOM 1053 CD ARG A 72 11.950 7.372 5.238 1.00 0.00 C ATOM 1054 NE ARG A 72 12.759 8.588 5.325 1.00 0.00 N ATOM 1055 CZ ARG A 72 12.442 9.649 6.074 1.00 0.00 C ATOM 1056 NH1 ARG A 72 11.325 9.653 6.798 1.00 0.00 N ATOM 1057 NH2 ARG A 72 13.245 10.707 6.097 1.00 0.00 N ATOM 0 H ARG A 72 11.336 4.187 2.884 1.00 0.00 H new ATOM 0 HA ARG A 72 10.545 5.239 5.407 1.00 0.00 H new ATOM 0 HB2 ARG A 72 11.165 6.179 2.838 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.457 6.535 2.998 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.852 8.428 3.725 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.860 7.819 5.036 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.659 7.058 6.240 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.550 6.567 4.813 1.00 0.00 H new ATOM 0 HE ARG A 72 13.620 8.629 4.779 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.705 8.843 6.784 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.089 10.466 7.367 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.102 10.709 5.544 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.005 11.517 6.668 1.00 0.00 H new ATOM 1071 N ALA A 73 8.099 4.368 3.347 1.00 0.00 N ATOM 1072 CA ALA A 73 6.683 4.004 3.300 1.00 0.00 C ATOM 1073 C ALA A 73 6.391 2.769 4.150 1.00 0.00 C ATOM 1074 O ALA A 73 5.419 2.747 4.907 1.00 0.00 O ATOM 1075 CB ALA A 73 6.242 3.774 1.862 1.00 0.00 C ATOM 0 H ALA A 73 8.572 4.336 2.444 1.00 0.00 H new ATOM 0 HA ALA A 73 6.114 4.835 3.717 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.186 3.504 1.844 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.393 4.686 1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.830 2.967 1.426 1.00 0.00 H new ATOM 1081 N ALA A 74 7.235 1.744 4.020 1.00 0.00 N ATOM 1082 CA ALA A 74 7.063 0.506 4.779 1.00 0.00 C ATOM 1083 C ALA A 74 7.029 0.774 6.281 1.00 0.00 C ATOM 1084 O ALA A 74 6.076 0.391 6.964 1.00 0.00 O ATOM 1085 CB ALA A 74 8.174 -0.482 4.454 1.00 0.00 C ATOM 0 H ALA A 74 8.043 1.747 3.397 1.00 0.00 H new ATOM 0 HA ALA A 74 6.106 0.073 4.487 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.028 -1.396 5.029 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.153 -0.716 3.390 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.138 -0.043 4.710 1.00 0.00 H new ATOM 1091 N GLU A 75 8.071 1.437 6.789 1.00 0.00 N ATOM 1092 CA GLU A 75 8.159 1.760 8.211 1.00 0.00 C ATOM 1093 C GLU A 75 6.916 2.519 8.680 1.00 0.00 C ATOM 1094 O GLU A 75 6.449 2.324 9.801 1.00 0.00 O ATOM 1095 CB GLU A 75 9.415 2.590 8.491 1.00 0.00 C ATOM 1096 CG GLU A 75 9.640 2.880 9.967 1.00 0.00 C ATOM 1097 CD GLU A 75 10.412 1.782 10.675 1.00 0.00 C ATOM 1098 OE1 GLU A 75 9.865 0.668 10.820 1.00 0.00 O ATOM 1099 OE2 GLU A 75 11.561 2.039 11.092 1.00 0.00 O ATOM 0 H GLU A 75 8.864 1.760 6.235 1.00 0.00 H new ATOM 0 HA GLU A 75 8.219 0.824 8.766 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.284 2.062 8.097 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.344 3.534 7.951 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.181 3.821 10.069 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.675 3.013 10.457 1.00 0.00 H new ATOM 1106 N LEU A 76 6.384 3.380 7.813 1.00 0.00 N ATOM 1107 CA LEU A 76 5.195 4.161 8.141 1.00 0.00 C ATOM 1108 C LEU A 76 3.942 3.281 8.165 1.00 0.00 C ATOM 1109 O LEU A 76 3.075 3.448 9.026 1.00 0.00 O ATOM 1110 CB LEU A 76 5.012 5.297 7.133 1.00 0.00 C ATOM 1111 CG LEU A 76 5.983 6.473 7.284 1.00 0.00 C ATOM 1112 CD1 LEU A 76 5.940 7.357 6.045 1.00 0.00 C ATOM 1113 CD2 LEU A 76 5.655 7.279 8.534 1.00 0.00 C ATOM 0 H LEU A 76 6.758 3.553 6.880 1.00 0.00 H new ATOM 0 HA LEU A 76 5.337 4.582 9.136 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.117 4.888 6.128 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.993 5.676 7.219 1.00 0.00 H new ATOM 0 HG LEU A 76 6.994 6.079 7.389 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.635 8.188 6.167 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.224 6.772 5.170 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.930 7.745 5.910 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.355 8.110 8.625 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.639 7.667 8.461 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.737 6.638 9.412 1.00 0.00 H new ATOM 1125 N MET A 77 3.849 2.349 7.216 1.00 0.00 N ATOM 1126 CA MET A 77 2.699 1.448 7.130 1.00 0.00 C ATOM 1127 C MET A 77 2.621 0.538 8.354 1.00 0.00 C ATOM 1128 O MET A 77 1.603 0.510 9.043 1.00 0.00 O ATOM 1129 CB MET A 77 2.768 0.604 5.854 1.00 0.00 C ATOM 1130 CG MET A 77 2.621 1.409 4.571 1.00 0.00 C ATOM 1131 SD MET A 77 3.067 0.457 3.105 1.00 0.00 S ATOM 1132 CE MET A 77 1.908 -0.906 3.212 1.00 0.00 C ATOM 0 H MET A 77 4.556 2.198 6.496 1.00 0.00 H new ATOM 0 HA MET A 77 1.799 2.061 7.099 1.00 0.00 H new ATOM 0 HB2 MET A 77 3.721 0.075 5.832 1.00 0.00 H new ATOM 0 HB3 MET A 77 1.984 -0.152 5.888 1.00 0.00 H new ATOM 0 HG2 MET A 77 1.591 1.753 4.478 1.00 0.00 H new ATOM 0 HG3 MET A 77 3.250 2.297 4.629 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.445 -1.822 3.459 1.00 0.00 H new ATOM 0 HE2 MET A 77 1.171 -0.697 3.987 1.00 0.00 H new ATOM 0 HE3 MET A 77 1.402 -1.030 2.254 1.00 0.00 H new ATOM 1142 N THR A 78 3.700 -0.194 8.631 1.00 0.00 N ATOM 1143 CA THR A 78 3.737 -1.085 9.792 1.00 0.00 C ATOM 1144 C THR A 78 3.467 -0.300 11.076 1.00 0.00 C ATOM 1145 O THR A 78 2.813 -0.797 11.995 1.00 0.00 O ATOM 1146 CB THR A 78 5.088 -1.809 9.886 1.00 0.00 C ATOM 1147 OG1 THR A 78 5.214 -2.482 11.127 1.00 0.00 O ATOM 1148 CG2 THR A 78 6.290 -0.894 9.739 1.00 0.00 C ATOM 0 H THR A 78 4.554 -0.189 8.073 1.00 0.00 H new ATOM 0 HA THR A 78 2.956 -1.835 9.668 1.00 0.00 H new ATOM 0 HB THR A 78 5.087 -2.508 9.050 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.081 -2.938 11.165 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.205 -1.481 9.817 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.256 -0.402 8.767 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.273 -0.142 10.527 1.00 0.00 H new ATOM 1156 N ARG A 79 3.969 0.934 11.123 1.00 0.00 N ATOM 1157 CA ARG A 79 3.786 1.802 12.285 1.00 0.00 C ATOM 1158 C ARG A 79 2.432 2.528 12.243 1.00 0.00 C ATOM 1159 O ARG A 79 2.373 3.754 12.377 1.00 0.00 O ATOM 1160 CB ARG A 79 4.923 2.827 12.362 1.00 0.00 C ATOM 1161 CG ARG A 79 6.238 2.246 12.857 1.00 0.00 C ATOM 1162 CD ARG A 79 6.673 2.886 14.168 1.00 0.00 C ATOM 1163 NE ARG A 79 8.128 2.967 14.285 1.00 0.00 N ATOM 1164 CZ ARG A 79 8.766 3.647 15.243 1.00 0.00 C ATOM 1165 NH1 ARG A 79 8.080 4.305 16.175 1.00 0.00 N ATOM 1166 NH2 ARG A 79 10.094 3.668 15.271 1.00 0.00 N ATOM 0 H ARG A 79 4.508 1.356 10.366 1.00 0.00 H new ATOM 0 HA ARG A 79 3.802 1.172 13.174 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.077 3.261 11.374 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.623 3.640 13.024 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.133 1.170 12.994 1.00 0.00 H new ATOM 0 HG3 ARG A 79 7.011 2.398 12.103 1.00 0.00 H new ATOM 0 HD2 ARG A 79 6.248 3.887 14.241 1.00 0.00 H new ATOM 0 HD3 ARG A 79 6.274 2.309 15.002 1.00 0.00 H new ATOM 0 HE ARG A 79 8.692 2.474 13.592 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.060 4.293 16.162 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.574 4.821 16.903 1.00 0.00 H new ATOM 0 HH21 ARG A 79 10.627 3.165 14.561 1.00 0.00 H new ATOM 0 HH22 ARG A 79 10.581 4.187 16.002 1.00 0.00 H new ATOM 1180 N THR A 80 1.346 1.774 12.061 1.00 0.00 N ATOM 1181 CA THR A 80 0.005 2.363 12.013 1.00 0.00 C ATOM 1182 C THR A 80 -0.718 2.196 13.350 1.00 0.00 C ATOM 1183 O THR A 80 -0.267 1.448 14.220 1.00 0.00 O ATOM 1184 CB THR A 80 -0.829 1.725 10.897 1.00 0.00 C ATOM 1185 OG1 THR A 80 -0.497 0.357 10.735 1.00 0.00 O ATOM 1186 CG2 THR A 80 -0.652 2.407 9.559 1.00 0.00 C ATOM 0 H THR A 80 1.367 0.761 11.945 1.00 0.00 H new ATOM 0 HA THR A 80 0.122 3.427 11.808 1.00 0.00 H new ATOM 0 HB THR A 80 -1.867 1.839 11.211 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.315 0.280 10.192 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.269 1.908 8.812 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.954 3.451 9.640 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.395 2.354 9.259 1.00 0.00 H new ATOM 1194 N SER A 81 -1.848 2.891 13.502 1.00 0.00 N ATOM 1195 CA SER A 81 -2.641 2.815 14.730 1.00 0.00 C ATOM 1196 C SER A 81 -3.713 1.725 14.614 1.00 0.00 C ATOM 1197 O SER A 81 -3.648 0.875 13.723 1.00 0.00 O ATOM 1198 CB SER A 81 -3.294 4.173 15.030 1.00 0.00 C ATOM 1199 OG SER A 81 -2.535 5.242 14.489 1.00 0.00 O ATOM 0 H SER A 81 -2.234 3.512 12.790 1.00 0.00 H new ATOM 0 HA SER A 81 -1.974 2.558 15.553 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.302 4.194 14.615 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.390 4.302 16.108 1.00 0.00 H new ATOM 0 HG SER A 81 -2.976 6.093 14.694 1.00 0.00 H new ATOM 1205 N SER A 82 -4.698 1.756 15.516 1.00 0.00 N ATOM 1206 CA SER A 82 -5.783 0.771 15.509 1.00 0.00 C ATOM 1207 C SER A 82 -6.520 0.764 14.165 1.00 0.00 C ATOM 1208 O SER A 82 -6.964 -0.285 13.700 1.00 0.00 O ATOM 1209 CB SER A 82 -6.772 1.057 16.643 1.00 0.00 C ATOM 1210 OG SER A 82 -6.094 1.390 17.843 1.00 0.00 O ATOM 0 H SER A 82 -4.766 2.451 16.259 1.00 0.00 H new ATOM 0 HA SER A 82 -5.338 -0.213 15.661 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.432 1.876 16.356 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.402 0.183 16.809 1.00 0.00 H new ATOM 0 HG SER A 82 -6.749 1.569 18.550 1.00 0.00 H new ATOM 1216 N VAL A 83 -6.645 1.941 13.549 1.00 0.00 N ATOM 1217 CA VAL A 83 -7.324 2.069 12.261 1.00 0.00 C ATOM 1218 C VAL A 83 -6.319 2.043 11.109 1.00 0.00 C ATOM 1219 O VAL A 83 -5.166 2.452 11.268 1.00 0.00 O ATOM 1220 CB VAL A 83 -8.157 3.368 12.183 1.00 0.00 C ATOM 1221 CG1 VAL A 83 -9.021 3.380 10.930 1.00 0.00 C ATOM 1222 CG2 VAL A 83 -9.018 3.531 13.428 1.00 0.00 C ATOM 0 H VAL A 83 -6.284 2.819 13.923 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.998 1.217 12.172 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.467 4.211 12.131 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.599 4.303 10.895 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.384 3.318 10.048 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -9.700 2.528 10.948 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.596 4.452 13.352 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.697 2.682 13.515 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.378 3.576 14.309 1.00 0.00 H new ATOM 1232 N VAL A 84 -6.765 1.554 9.951 1.00 0.00 N ATOM 1233 CA VAL A 84 -5.908 1.466 8.771 1.00 0.00 C ATOM 1234 C VAL A 84 -6.615 2.015 7.529 1.00 0.00 C ATOM 1235 O VAL A 84 -7.673 1.517 7.137 1.00 0.00 O ATOM 1236 CB VAL A 84 -5.476 0.008 8.502 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -4.428 -0.046 7.401 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -4.952 -0.645 9.774 1.00 0.00 C ATOM 0 H VAL A 84 -7.715 1.213 9.806 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.024 2.070 8.975 1.00 0.00 H new ATOM 0 HB VAL A 84 -6.352 -0.550 8.170 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.137 -1.082 7.226 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.842 0.374 6.484 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.554 0.531 7.702 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.654 -1.671 9.560 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.091 -0.086 10.142 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.735 -0.645 10.532 1.00 0.00 H new ATOM 1248 N THR A 85 -6.019 3.041 6.918 1.00 0.00 N ATOM 1249 CA THR A 85 -6.588 3.660 5.722 1.00 0.00 C ATOM 1250 C THR A 85 -5.587 3.639 4.564 1.00 0.00 C ATOM 1251 O THR A 85 -4.727 4.515 4.460 1.00 0.00 O ATOM 1252 CB THR A 85 -7.017 5.103 6.025 1.00 0.00 C ATOM 1253 OG1 THR A 85 -7.686 5.175 7.274 1.00 0.00 O ATOM 1254 CG2 THR A 85 -7.941 5.690 4.978 1.00 0.00 C ATOM 0 H THR A 85 -5.143 3.459 7.232 1.00 0.00 H new ATOM 0 HA THR A 85 -7.464 3.083 5.425 1.00 0.00 H new ATOM 0 HB THR A 85 -6.093 5.681 6.034 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.950 6.102 7.451 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.204 6.711 5.256 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.438 5.695 4.011 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.847 5.087 4.913 1.00 0.00 H new ATOM 1262 N LEU A 86 -5.706 2.631 3.697 1.00 0.00 N ATOM 1263 CA LEU A 86 -4.810 2.492 2.548 1.00 0.00 C ATOM 1264 C LEU A 86 -5.532 2.801 1.237 1.00 0.00 C ATOM 1265 O LEU A 86 -6.698 2.442 1.058 1.00 0.00 O ATOM 1266 CB LEU A 86 -4.230 1.075 2.489 1.00 0.00 C ATOM 1267 CG LEU A 86 -2.918 0.872 3.251 1.00 0.00 C ATOM 1268 CD1 LEU A 86 -3.187 0.677 4.735 1.00 0.00 C ATOM 1269 CD2 LEU A 86 -2.156 -0.317 2.686 1.00 0.00 C ATOM 0 H LEU A 86 -6.414 1.900 3.769 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.001 3.211 2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.971 0.380 2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.069 0.810 1.444 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.305 1.765 3.129 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.243 0.534 5.260 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.693 1.557 5.132 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.818 -0.200 4.878 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.225 -0.448 3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.764 -1.217 2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.932 -0.139 1.634 1.00 0.00 H new ATOM 1281 N GLU A 87 -4.820 3.460 0.323 1.00 0.00 N ATOM 1282 CA GLU A 87 -5.370 3.814 -0.982 1.00 0.00 C ATOM 1283 C GLU A 87 -4.757 2.941 -2.077 1.00 0.00 C ATOM 1284 O GLU A 87 -3.591 3.111 -2.435 1.00 0.00 O ATOM 1285 CB GLU A 87 -5.114 5.294 -1.277 1.00 0.00 C ATOM 1286 CG GLU A 87 -5.675 5.760 -2.611 1.00 0.00 C ATOM 1287 CD GLU A 87 -6.120 7.211 -2.588 1.00 0.00 C ATOM 1288 OE1 GLU A 87 -5.295 8.083 -2.239 1.00 0.00 O ATOM 1289 OE2 GLU A 87 -7.295 7.475 -2.919 1.00 0.00 O ATOM 0 H GLU A 87 -3.856 3.760 0.465 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.446 3.639 -0.965 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.552 5.895 -0.480 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.040 5.477 -1.261 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -4.918 5.629 -3.384 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.521 5.130 -2.884 1.00 0.00 H new ATOM 1296 N VAL A 88 -5.548 2.000 -2.596 1.00 0.00 N ATOM 1297 CA VAL A 88 -5.080 1.091 -3.642 1.00 0.00 C ATOM 1298 C VAL A 88 -5.482 1.578 -5.035 1.00 0.00 C ATOM 1299 O VAL A 88 -6.525 2.213 -5.206 1.00 0.00 O ATOM 1300 CB VAL A 88 -5.630 -0.338 -3.436 1.00 0.00 C ATOM 1301 CG1 VAL A 88 -4.970 -1.311 -4.403 1.00 0.00 C ATOM 1302 CG2 VAL A 88 -5.429 -0.788 -1.996 1.00 0.00 C ATOM 0 H VAL A 88 -6.515 1.848 -2.309 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.993 1.074 -3.570 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.700 -0.327 -3.642 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.371 -2.312 -4.242 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.173 -0.999 -5.428 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.893 -1.319 -4.233 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.823 -1.797 -1.872 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.365 -0.782 -1.758 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.955 -0.108 -1.326 1.00 0.00 H new ATOM 1312 N ALA A 89 -4.647 1.263 -6.028 1.00 0.00 N ATOM 1313 CA ALA A 89 -4.904 1.652 -7.410 1.00 0.00 C ATOM 1314 C ALA A 89 -4.979 0.424 -8.315 1.00 0.00 C ATOM 1315 O ALA A 89 -3.956 -0.175 -8.648 1.00 0.00 O ATOM 1316 CB ALA A 89 -3.827 2.607 -7.902 1.00 0.00 C ATOM 0 H ALA A 89 -3.783 0.737 -5.896 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.866 2.162 -7.446 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.034 2.887 -8.935 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.820 3.500 -7.278 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -2.854 2.118 -7.846 1.00 0.00 H new ATOM 1322 N LYS A 90 -6.199 0.057 -8.704 1.00 0.00 N ATOM 1323 CA LYS A 90 -6.417 -1.099 -9.570 1.00 0.00 C ATOM 1324 C LYS A 90 -5.887 -0.834 -10.977 1.00 0.00 C ATOM 1325 O LYS A 90 -6.139 0.226 -11.554 1.00 0.00 O ATOM 1326 CB LYS A 90 -7.905 -1.450 -9.622 1.00 0.00 C ATOM 1327 CG LYS A 90 -8.309 -2.518 -8.621 1.00 0.00 C ATOM 1328 CD LYS A 90 -9.819 -2.652 -8.523 1.00 0.00 C ATOM 1329 CE LYS A 90 -10.242 -3.145 -7.147 1.00 0.00 C ATOM 1330 NZ LYS A 90 -10.719 -4.555 -7.181 1.00 0.00 N ATOM 0 H LYS A 90 -7.053 0.545 -8.432 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.870 -1.944 -9.153 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.490 -0.549 -9.436 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.155 -1.791 -10.627 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -7.877 -3.475 -8.915 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -7.901 -2.271 -7.641 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -10.286 -1.688 -8.726 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.175 -3.345 -9.285 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.401 -3.064 -6.459 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.034 -2.504 -6.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.997 -4.851 -6.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -11.538 -4.629 -7.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.956 -5.172 -7.526 1.00 0.00 H new ATOM 1421 N SER B 101 10.698 -6.546 -1.455 1.00 0.00 N ATOM 1422 CA SER B 101 9.352 -6.791 -0.941 1.00 0.00 C ATOM 1423 C SER B 101 9.335 -6.750 0.587 1.00 0.00 C ATOM 1424 O SER B 101 10.091 -7.471 1.241 1.00 0.00 O ATOM 1425 CB SER B 101 8.828 -8.142 -1.442 1.00 0.00 C ATOM 1426 OG SER B 101 9.860 -9.114 -1.490 1.00 0.00 O ATOM 0 HA SER B 101 8.698 -6.001 -1.310 1.00 0.00 H new ATOM 0 HB2 SER B 101 8.030 -8.490 -0.786 1.00 0.00 H new ATOM 0 HB3 SER B 101 8.395 -8.020 -2.435 1.00 0.00 H new ATOM 0 HG SER B 101 10.720 -8.671 -1.648 1.00 0.00 H new ATOM 1432 N THR B 102 8.471 -5.900 1.148 1.00 0.00 N ATOM 1433 CA THR B 102 8.354 -5.756 2.602 1.00 0.00 C ATOM 1434 C THR B 102 7.452 -6.853 3.187 1.00 0.00 C ATOM 1435 O THR B 102 7.414 -7.969 2.665 1.00 0.00 O ATOM 1436 CB THR B 102 7.830 -4.353 2.955 1.00 0.00 C ATOM 1437 OG1 THR B 102 8.299 -3.394 2.023 1.00 0.00 O ATOM 1438 CG2 THR B 102 8.251 -3.881 4.333 1.00 0.00 C ATOM 0 H THR B 102 7.841 -5.300 0.616 1.00 0.00 H new ATOM 0 HA THR B 102 9.342 -5.872 3.047 1.00 0.00 H new ATOM 0 HB THR B 102 6.744 -4.440 2.930 1.00 0.00 H new ATOM 0 HG1 THR B 102 8.878 -2.749 2.480 1.00 0.00 H new ATOM 0 HG21 THR B 102 7.847 -2.885 4.516 1.00 0.00 H new ATOM 0 HG22 THR B 102 7.870 -4.571 5.086 1.00 0.00 H new ATOM 0 HG23 THR B 102 9.339 -3.847 4.389 1.00 0.00 H new