USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 697 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 41 ASN : amide:sc= 1.05 K(o=1.3,f=0.64) USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 0.231 USER MOD Set 2.1: A 13 HIS : no HD1:sc= -0.222 X(o=-0.076,f=0.018) USER MOD Set 2.2: A 39 THR OG1 : rot -110:sc= 0.147 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 171:sc= 0.0116 USER MOD Single : A 16 SER OG : rot -141:sc= 1.16 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 11:sc= 0.513 USER MOD Single : A 27 SER OG : rot -22:sc= 0.0983 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -154:sc= 0.729 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0187 USER MOD Single : A 37 ASN : amide:sc= -0.0371 X(o=-0.037,f=-0.47) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.0075) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -157:sc= 0.833 (180deg=0.531) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 84 THR OG1 : rot 84:sc= 1.28 USER MOD Single : A 89 ASN : amide:sc= 1.96 K(o=2,f=-2.6!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 75 N VAL A 6 6.527 -10.147 -9.437 1.00 0.00 N ATOM 76 CA VAL A 6 6.087 -10.753 -10.707 1.00 0.00 C ATOM 77 C VAL A 6 7.116 -10.595 -11.848 1.00 0.00 C ATOM 78 O VAL A 6 7.469 -11.619 -12.446 1.00 0.00 O ATOM 79 CB VAL A 6 4.674 -10.269 -11.109 1.00 0.00 C ATOM 80 CG1 VAL A 6 4.206 -10.876 -12.438 1.00 0.00 C ATOM 81 CG2 VAL A 6 3.637 -10.646 -10.041 1.00 0.00 C ATOM 0 HA VAL A 6 6.021 -11.826 -10.529 1.00 0.00 H new ATOM 0 HB VAL A 6 4.750 -9.186 -11.210 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.209 -10.505 -12.676 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.898 -10.592 -13.231 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.178 -11.962 -12.352 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.653 -10.294 -10.349 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.614 -11.729 -9.923 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.907 -10.183 -9.092 1.00 0.00 H new ATOM 91 N PRO A 7 7.631 -9.387 -12.179 1.00 0.00 N ATOM 92 CA PRO A 7 8.664 -9.228 -13.203 1.00 0.00 C ATOM 93 C PRO A 7 10.075 -9.569 -12.683 1.00 0.00 C ATOM 94 O PRO A 7 10.320 -9.691 -11.480 1.00 0.00 O ATOM 95 CB PRO A 7 8.578 -7.764 -13.640 1.00 0.00 C ATOM 96 CG PRO A 7 8.214 -7.073 -12.328 1.00 0.00 C ATOM 97 CD PRO A 7 7.251 -8.069 -11.676 1.00 0.00 C ATOM 0 HA PRO A 7 8.496 -9.918 -14.030 1.00 0.00 H new ATOM 0 HB2 PRO A 7 9.522 -7.401 -14.046 1.00 0.00 H new ATOM 0 HB3 PRO A 7 7.821 -7.610 -14.408 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.092 -6.894 -11.708 1.00 0.00 H new ATOM 0 HG3 PRO A 7 7.742 -6.106 -12.498 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.326 -8.030 -10.589 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.217 -7.837 -11.932 1.00 0.00 H new ATOM 105 N GLY A 8 11.019 -9.674 -13.622 1.00 0.00 N ATOM 106 CA GLY A 8 12.451 -9.890 -13.362 1.00 0.00 C ATOM 107 C GLY A 8 13.131 -10.786 -14.405 1.00 0.00 C ATOM 108 O GLY A 8 12.516 -11.720 -14.922 1.00 0.00 O ATOM 0 H GLY A 8 10.804 -9.609 -14.617 1.00 0.00 H new ATOM 0 HA2 GLY A 8 12.958 -8.925 -13.337 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.570 -10.338 -12.376 1.00 0.00 H new ATOM 112 N LEU A 9 14.402 -10.495 -14.723 1.00 0.00 N ATOM 113 CA LEU A 9 15.228 -11.291 -15.653 1.00 0.00 C ATOM 114 C LEU A 9 16.715 -11.389 -15.239 1.00 0.00 C ATOM 115 O LEU A 9 17.602 -11.433 -16.091 1.00 0.00 O ATOM 116 CB LEU A 9 14.952 -10.876 -17.122 1.00 0.00 C ATOM 117 CG LEU A 9 15.110 -9.396 -17.533 1.00 0.00 C ATOM 118 CD1 LEU A 9 16.556 -8.927 -17.667 1.00 0.00 C ATOM 119 CD2 LEU A 9 14.444 -9.162 -18.890 1.00 0.00 C ATOM 0 H LEU A 9 14.895 -9.689 -14.337 1.00 0.00 H new ATOM 0 HA LEU A 9 14.914 -12.332 -15.584 1.00 0.00 H new ATOM 0 HB2 LEU A 9 15.613 -11.465 -17.758 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.931 -11.175 -17.360 1.00 0.00 H new ATOM 0 HG LEU A 9 14.644 -8.829 -16.727 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.572 -7.877 -17.958 1.00 0.00 H new ATOM 0 HD12 LEU A 9 17.067 -9.047 -16.712 1.00 0.00 H new ATOM 0 HD13 LEU A 9 17.063 -9.522 -18.427 1.00 0.00 H new ATOM 0 HD21 LEU A 9 14.558 -8.116 -19.176 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.915 -9.797 -19.641 1.00 0.00 H new ATOM 0 HD23 LEU A 9 13.384 -9.406 -18.822 1.00 0.00 H new ATOM 131 N LEU A 10 16.988 -11.452 -13.925 1.00 0.00 N ATOM 132 CA LEU A 10 18.346 -11.666 -13.396 1.00 0.00 C ATOM 133 C LEU A 10 18.884 -13.021 -13.865 1.00 0.00 C ATOM 134 O LEU A 10 18.464 -14.068 -13.365 1.00 0.00 O ATOM 135 CB LEU A 10 18.369 -11.601 -11.852 1.00 0.00 C ATOM 136 CG LEU A 10 18.388 -10.173 -11.284 1.00 0.00 C ATOM 137 CD1 LEU A 10 17.748 -10.125 -9.897 1.00 0.00 C ATOM 138 CD2 LEU A 10 19.815 -9.643 -11.137 1.00 0.00 C ATOM 0 H LEU A 10 16.276 -11.356 -13.201 1.00 0.00 H new ATOM 0 HA LEU A 10 18.982 -10.868 -13.778 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.494 -12.123 -11.464 1.00 0.00 H new ATOM 0 HB3 LEU A 10 19.247 -12.136 -11.490 1.00 0.00 H new ATOM 0 HG LEU A 10 17.829 -9.559 -11.990 1.00 0.00 H new ATOM 0 HD11 LEU A 10 17.775 -9.103 -9.519 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.713 -10.461 -9.962 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.299 -10.777 -9.219 1.00 0.00 H new ATOM 0 HD21 LEU A 10 19.787 -8.631 -10.733 1.00 0.00 H new ATOM 0 HD22 LEU A 10 20.375 -10.289 -10.461 1.00 0.00 H new ATOM 0 HD23 LEU A 10 20.301 -9.631 -12.113 1.00 0.00 H new ATOM 150 N THR A 11 19.866 -12.991 -14.764 1.00 0.00 N ATOM 151 CA THR A 11 20.565 -14.187 -15.245 1.00 0.00 C ATOM 152 C THR A 11 22.008 -14.203 -14.752 1.00 0.00 C ATOM 153 O THR A 11 22.695 -13.180 -14.723 1.00 0.00 O ATOM 154 CB THR A 11 20.477 -14.313 -16.775 1.00 0.00 C ATOM 155 OG1 THR A 11 19.124 -14.507 -17.147 1.00 0.00 O ATOM 156 CG2 THR A 11 21.263 -15.506 -17.321 1.00 0.00 C ATOM 0 H THR A 11 20.205 -12.126 -15.186 1.00 0.00 H new ATOM 0 HA THR A 11 20.066 -15.062 -14.829 1.00 0.00 H new ATOM 0 HB THR A 11 20.899 -13.396 -17.187 1.00 0.00 H new ATOM 0 HG1 THR A 11 19.061 -14.586 -18.122 1.00 0.00 H new ATOM 0 HG21 THR A 11 21.163 -15.542 -18.406 1.00 0.00 H new ATOM 0 HG22 THR A 11 22.315 -15.400 -17.057 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.872 -16.427 -16.890 1.00 0.00 H new ATOM 164 N ASP A 12 22.469 -15.390 -14.370 1.00 0.00 N ATOM 165 CA ASP A 12 23.855 -15.725 -14.058 1.00 0.00 C ATOM 166 C ASP A 12 24.741 -15.753 -15.323 1.00 0.00 C ATOM 167 O ASP A 12 25.365 -16.762 -15.657 1.00 0.00 O ATOM 168 CB ASP A 12 23.894 -17.041 -13.255 1.00 0.00 C ATOM 169 CG ASP A 12 23.335 -18.265 -14.009 1.00 0.00 C ATOM 170 OD1 ASP A 12 22.174 -18.217 -14.489 1.00 0.00 O ATOM 171 OD2 ASP A 12 24.024 -19.313 -14.069 1.00 0.00 O ATOM 0 H ASP A 12 21.848 -16.192 -14.264 1.00 0.00 H new ATOM 0 HA ASP A 12 24.283 -14.941 -13.433 1.00 0.00 H new ATOM 0 HB2 ASP A 12 24.925 -17.247 -12.968 1.00 0.00 H new ATOM 0 HB3 ASP A 12 23.327 -16.907 -12.334 1.00 0.00 H new ATOM 176 N HIS A 13 24.828 -14.619 -16.034 1.00 0.00 N ATOM 177 CA HIS A 13 25.757 -14.404 -17.155 1.00 0.00 C ATOM 178 C HIS A 13 27.178 -14.114 -16.627 1.00 0.00 C ATOM 179 O HIS A 13 27.873 -13.200 -17.079 1.00 0.00 O ATOM 180 CB HIS A 13 25.207 -13.326 -18.115 1.00 0.00 C ATOM 181 CG HIS A 13 24.049 -13.752 -18.987 1.00 0.00 C ATOM 182 ND1 HIS A 13 22.896 -12.995 -19.227 1.00 0.00 N ATOM 183 CD2 HIS A 13 24.007 -14.873 -19.765 1.00 0.00 C ATOM 184 CE1 HIS A 13 22.187 -13.680 -20.141 1.00 0.00 C ATOM 185 NE2 HIS A 13 22.828 -14.814 -20.476 1.00 0.00 N ATOM 0 H HIS A 13 24.241 -13.807 -15.842 1.00 0.00 H new ATOM 0 HA HIS A 13 25.839 -15.314 -17.749 1.00 0.00 H new ATOM 0 HB2 HIS A 13 24.895 -12.465 -17.524 1.00 0.00 H new ATOM 0 HB3 HIS A 13 26.020 -12.992 -18.760 1.00 0.00 H new ATOM 0 HD2 HIS A 13 24.752 -15.653 -19.814 1.00 0.00 H new ATOM 0 HE1 HIS A 13 21.238 -13.365 -20.548 1.00 0.00 H new ATOM 0 HE2 HIS A 13 22.498 -15.512 -21.143 1.00 0.00 H new ATOM 193 N THR A 14 27.605 -14.886 -15.622 1.00 0.00 N ATOM 194 CA THR A 14 28.839 -14.693 -14.862 1.00 0.00 C ATOM 195 C THR A 14 29.636 -16.000 -14.724 1.00 0.00 C ATOM 196 O THR A 14 29.064 -17.048 -14.413 1.00 0.00 O ATOM 197 CB THR A 14 28.567 -14.054 -13.488 1.00 0.00 C ATOM 198 OG1 THR A 14 27.694 -14.842 -12.712 1.00 0.00 O ATOM 199 CG2 THR A 14 27.910 -12.676 -13.562 1.00 0.00 C ATOM 0 H THR A 14 27.075 -15.697 -15.304 1.00 0.00 H new ATOM 0 HA THR A 14 29.456 -13.996 -15.430 1.00 0.00 H new ATOM 0 HB THR A 14 29.559 -13.971 -13.044 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.657 -14.487 -11.799 1.00 0.00 H new ATOM 0 HG21 THR A 14 27.752 -12.294 -12.554 1.00 0.00 H new ATOM 0 HG22 THR A 14 28.558 -11.993 -14.111 1.00 0.00 H new ATOM 0 HG23 THR A 14 26.951 -12.757 -14.074 1.00 0.00 H new ATOM 207 N VAL A 15 30.953 -15.966 -14.995 1.00 0.00 N ATOM 208 CA VAL A 15 31.808 -17.170 -15.161 1.00 0.00 C ATOM 209 C VAL A 15 33.168 -17.082 -14.442 1.00 0.00 C ATOM 210 O VAL A 15 34.180 -17.609 -14.914 1.00 0.00 O ATOM 211 CB VAL A 15 31.951 -17.583 -16.647 1.00 0.00 C ATOM 212 CG1 VAL A 15 30.583 -17.975 -17.213 1.00 0.00 C ATOM 213 CG2 VAL A 15 32.554 -16.514 -17.566 1.00 0.00 C ATOM 0 H VAL A 15 31.467 -15.092 -15.108 1.00 0.00 H new ATOM 0 HA VAL A 15 31.274 -17.973 -14.652 1.00 0.00 H new ATOM 0 HB VAL A 15 32.650 -18.419 -16.636 1.00 0.00 H new ATOM 0 HG11 VAL A 15 30.691 -18.264 -18.258 1.00 0.00 H new ATOM 0 HG12 VAL A 15 30.181 -18.813 -16.644 1.00 0.00 H new ATOM 0 HG13 VAL A 15 29.902 -17.127 -17.140 1.00 0.00 H new ATOM 0 HG21 VAL A 15 32.612 -16.900 -18.584 1.00 0.00 H new ATOM 0 HG22 VAL A 15 31.925 -15.624 -17.551 1.00 0.00 H new ATOM 0 HG23 VAL A 15 33.554 -16.257 -17.218 1.00 0.00 H new ATOM 223 N SER A 16 33.181 -16.457 -13.261 1.00 0.00 N ATOM 224 CA SER A 16 34.379 -16.308 -12.407 1.00 0.00 C ATOM 225 C SER A 16 34.070 -16.580 -10.936 1.00 0.00 C ATOM 226 O SER A 16 32.922 -16.463 -10.525 1.00 0.00 O ATOM 227 CB SER A 16 34.996 -14.919 -12.605 1.00 0.00 C ATOM 228 OG SER A 16 34.159 -13.889 -12.115 1.00 0.00 O ATOM 0 H SER A 16 32.347 -16.030 -12.858 1.00 0.00 H new ATOM 0 HA SER A 16 35.108 -17.058 -12.713 1.00 0.00 H new ATOM 0 HB2 SER A 16 35.959 -14.875 -12.097 1.00 0.00 H new ATOM 0 HB3 SER A 16 35.188 -14.756 -13.666 1.00 0.00 H new ATOM 0 HG SER A 16 34.199 -13.119 -12.720 1.00 0.00 H new ATOM 234 N SER A 17 35.064 -16.929 -10.113 1.00 0.00 N ATOM 235 CA SER A 17 34.844 -17.334 -8.708 1.00 0.00 C ATOM 236 C SER A 17 34.095 -16.276 -7.879 1.00 0.00 C ATOM 237 O SER A 17 33.164 -16.598 -7.140 1.00 0.00 O ATOM 238 CB SER A 17 36.190 -17.660 -8.048 1.00 0.00 C ATOM 239 OG SER A 17 37.083 -16.559 -8.169 1.00 0.00 O ATOM 0 H SER A 17 36.044 -16.941 -10.395 1.00 0.00 H new ATOM 0 HA SER A 17 34.207 -18.218 -8.730 1.00 0.00 H new ATOM 0 HB2 SER A 17 36.037 -17.898 -6.995 1.00 0.00 H new ATOM 0 HB3 SER A 17 36.626 -18.543 -8.515 1.00 0.00 H new ATOM 0 HG SER A 17 37.936 -16.782 -7.742 1.00 0.00 H new ATOM 245 N ILE A 18 34.454 -15.002 -8.066 1.00 0.00 N ATOM 246 CA ILE A 18 33.798 -13.829 -7.462 1.00 0.00 C ATOM 247 C ILE A 18 32.580 -13.366 -8.261 1.00 0.00 C ATOM 248 O ILE A 18 31.547 -13.081 -7.666 1.00 0.00 O ATOM 249 CB ILE A 18 34.788 -12.659 -7.237 1.00 0.00 C ATOM 250 CG1 ILE A 18 35.902 -12.625 -8.308 1.00 0.00 C ATOM 251 CG2 ILE A 18 35.365 -12.740 -5.817 1.00 0.00 C ATOM 252 CD1 ILE A 18 36.693 -11.327 -8.394 1.00 0.00 C ATOM 0 H ILE A 18 35.239 -14.746 -8.664 1.00 0.00 H new ATOM 0 HA ILE A 18 33.441 -14.154 -6.485 1.00 0.00 H new ATOM 0 HB ILE A 18 34.242 -11.721 -7.341 1.00 0.00 H new ATOM 0 HG12 ILE A 18 36.597 -13.441 -8.109 1.00 0.00 H new ATOM 0 HG13 ILE A 18 35.452 -12.820 -9.281 1.00 0.00 H new ATOM 0 HG21 ILE A 18 36.061 -11.916 -5.660 1.00 0.00 H new ATOM 0 HG22 ILE A 18 34.555 -12.674 -5.091 1.00 0.00 H new ATOM 0 HG23 ILE A 18 35.889 -13.687 -5.691 1.00 0.00 H new ATOM 0 HD11 ILE A 18 37.447 -11.412 -9.176 1.00 0.00 H new ATOM 0 HD12 ILE A 18 36.018 -10.504 -8.629 1.00 0.00 H new ATOM 0 HD13 ILE A 18 37.181 -11.134 -7.439 1.00 0.00 H new ATOM 264 N GLY A 19 32.631 -13.311 -9.594 1.00 0.00 N ATOM 265 CA GLY A 19 31.486 -12.844 -10.390 1.00 0.00 C ATOM 266 C GLY A 19 30.287 -13.802 -10.341 1.00 0.00 C ATOM 267 O GLY A 19 29.137 -13.362 -10.373 1.00 0.00 O ATOM 0 H GLY A 19 33.446 -13.581 -10.145 1.00 0.00 H new ATOM 0 HA2 GLY A 19 31.175 -11.864 -10.028 1.00 0.00 H new ATOM 0 HA3 GLY A 19 31.799 -12.717 -11.426 1.00 0.00 H new ATOM 271 N HIS A 20 30.539 -15.102 -10.168 1.00 0.00 N ATOM 272 CA HIS A 20 29.511 -16.115 -9.901 1.00 0.00 C ATOM 273 C HIS A 20 28.839 -15.883 -8.538 1.00 0.00 C ATOM 274 O HIS A 20 27.618 -15.990 -8.422 1.00 0.00 O ATOM 275 CB HIS A 20 30.129 -17.519 -9.955 1.00 0.00 C ATOM 276 CG HIS A 20 29.128 -18.623 -9.709 1.00 0.00 C ATOM 277 ND1 HIS A 20 28.216 -19.119 -10.647 1.00 0.00 N ATOM 278 CD2 HIS A 20 28.963 -19.298 -8.533 1.00 0.00 C ATOM 279 CE1 HIS A 20 27.523 -20.081 -10.013 1.00 0.00 C ATOM 280 NE2 HIS A 20 27.953 -20.211 -8.744 1.00 0.00 N ATOM 0 H HIS A 20 31.482 -15.489 -10.210 1.00 0.00 H new ATOM 0 HA HIS A 20 28.745 -16.030 -10.672 1.00 0.00 H new ATOM 0 HB2 HIS A 20 30.591 -17.668 -10.931 1.00 0.00 H new ATOM 0 HB3 HIS A 20 30.924 -17.587 -9.213 1.00 0.00 H new ATOM 0 HD2 HIS A 20 29.516 -19.146 -7.618 1.00 0.00 H new ATOM 0 HE1 HIS A 20 26.733 -20.667 -10.459 1.00 0.00 H new ATOM 0 HE2 HIS A 20 27.593 -20.872 -8.056 1.00 0.00 H new ATOM 288 N ASP A 21 29.612 -15.496 -7.517 1.00 0.00 N ATOM 289 CA ASP A 21 29.080 -15.186 -6.190 1.00 0.00 C ATOM 290 C ASP A 21 28.349 -13.837 -6.179 1.00 0.00 C ATOM 291 O ASP A 21 27.322 -13.721 -5.511 1.00 0.00 O ATOM 292 CB ASP A 21 30.201 -15.219 -5.138 1.00 0.00 C ATOM 293 CG ASP A 21 30.652 -16.636 -4.718 1.00 0.00 C ATOM 294 OD1 ASP A 21 29.981 -17.645 -5.049 1.00 0.00 O ATOM 295 OD2 ASP A 21 31.662 -16.737 -3.979 1.00 0.00 O ATOM 0 H ASP A 21 30.624 -15.390 -7.590 1.00 0.00 H new ATOM 0 HA ASP A 21 28.349 -15.952 -5.934 1.00 0.00 H new ATOM 0 HB2 ASP A 21 31.063 -14.679 -5.529 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.864 -14.682 -4.251 1.00 0.00 H new ATOM 300 N PHE A 22 28.812 -12.832 -6.941 1.00 0.00 N ATOM 301 CA PHE A 22 28.134 -11.535 -7.062 1.00 0.00 C ATOM 302 C PHE A 22 26.693 -11.709 -7.531 1.00 0.00 C ATOM 303 O PHE A 22 25.806 -11.092 -6.956 1.00 0.00 O ATOM 304 CB PHE A 22 28.894 -10.608 -8.023 1.00 0.00 C ATOM 305 CG PHE A 22 28.316 -9.202 -8.106 1.00 0.00 C ATOM 306 CD1 PHE A 22 27.211 -8.950 -8.939 1.00 0.00 C ATOM 307 CD2 PHE A 22 28.850 -8.149 -7.339 1.00 0.00 C ATOM 308 CE1 PHE A 22 26.644 -7.667 -9.013 1.00 0.00 C ATOM 309 CE2 PHE A 22 28.300 -6.856 -7.428 1.00 0.00 C ATOM 310 CZ PHE A 22 27.199 -6.617 -8.268 1.00 0.00 C ATOM 0 H PHE A 22 29.669 -12.898 -7.491 1.00 0.00 H new ATOM 0 HA PHE A 22 28.120 -11.077 -6.073 1.00 0.00 H new ATOM 0 HB2 PHE A 22 29.935 -10.545 -7.705 1.00 0.00 H new ATOM 0 HB3 PHE A 22 28.891 -11.051 -9.019 1.00 0.00 H new ATOM 0 HD1 PHE A 22 26.793 -9.753 -9.529 1.00 0.00 H new ATOM 0 HD2 PHE A 22 29.685 -8.334 -6.680 1.00 0.00 H new ATOM 0 HE1 PHE A 22 25.784 -7.490 -9.641 1.00 0.00 H new ATOM 0 HE2 PHE A 22 28.724 -6.048 -6.851 1.00 0.00 H new ATOM 0 HZ PHE A 22 26.780 -5.624 -8.340 1.00 0.00 H new ATOM 320 N TYR A 23 26.444 -12.578 -8.517 1.00 0.00 N ATOM 321 CA TYR A 23 25.082 -12.890 -8.972 1.00 0.00 C ATOM 322 C TYR A 23 24.166 -13.293 -7.803 1.00 0.00 C ATOM 323 O TYR A 23 23.127 -12.665 -7.584 1.00 0.00 O ATOM 324 CB TYR A 23 25.112 -13.993 -10.042 1.00 0.00 C ATOM 325 CG TYR A 23 23.723 -14.468 -10.423 1.00 0.00 C ATOM 326 CD1 TYR A 23 22.911 -13.679 -11.256 1.00 0.00 C ATOM 327 CD2 TYR A 23 23.212 -15.657 -9.869 1.00 0.00 C ATOM 328 CE1 TYR A 23 21.579 -14.056 -11.510 1.00 0.00 C ATOM 329 CE2 TYR A 23 21.886 -16.049 -10.133 1.00 0.00 C ATOM 330 CZ TYR A 23 21.063 -15.250 -10.954 1.00 0.00 C ATOM 331 OH TYR A 23 19.785 -15.646 -11.210 1.00 0.00 O ATOM 0 H TYR A 23 27.174 -13.082 -9.020 1.00 0.00 H new ATOM 0 HA TYR A 23 24.667 -11.984 -9.413 1.00 0.00 H new ATOM 0 HB2 TYR A 23 25.622 -13.620 -10.930 1.00 0.00 H new ATOM 0 HB3 TYR A 23 25.693 -14.838 -9.673 1.00 0.00 H new ATOM 0 HD1 TYR A 23 23.311 -12.780 -11.703 1.00 0.00 H new ATOM 0 HD2 TYR A 23 23.839 -16.270 -9.239 1.00 0.00 H new ATOM 0 HE1 TYR A 23 20.951 -13.433 -12.130 1.00 0.00 H new ATOM 0 HE2 TYR A 23 21.498 -16.962 -9.707 1.00 0.00 H new ATOM 0 HH TYR A 23 19.410 -15.096 -11.929 1.00 0.00 H new ATOM 341 N ARG A 24 24.585 -14.299 -7.020 1.00 0.00 N ATOM 342 CA ARG A 24 23.794 -14.863 -5.912 1.00 0.00 C ATOM 343 C ARG A 24 23.634 -13.864 -4.764 1.00 0.00 C ATOM 344 O ARG A 24 22.534 -13.658 -4.258 1.00 0.00 O ATOM 345 CB ARG A 24 24.426 -16.171 -5.403 1.00 0.00 C ATOM 346 CG ARG A 24 24.639 -17.207 -6.522 1.00 0.00 C ATOM 347 CD ARG A 24 24.961 -18.604 -5.977 1.00 0.00 C ATOM 348 NE ARG A 24 23.785 -19.230 -5.335 1.00 0.00 N ATOM 349 CZ ARG A 24 23.767 -20.353 -4.636 1.00 0.00 C ATOM 350 NH1 ARG A 24 24.843 -21.056 -4.420 1.00 0.00 N ATOM 351 NH2 ARG A 24 22.649 -20.799 -4.137 1.00 0.00 N ATOM 0 H ARG A 24 25.492 -14.750 -7.139 1.00 0.00 H new ATOM 0 HA ARG A 24 22.799 -15.082 -6.300 1.00 0.00 H new ATOM 0 HB2 ARG A 24 25.384 -15.947 -4.934 1.00 0.00 H new ATOM 0 HB3 ARG A 24 23.787 -16.602 -4.632 1.00 0.00 H new ATOM 0 HG2 ARG A 24 23.742 -17.259 -7.139 1.00 0.00 H new ATOM 0 HG3 ARG A 24 25.452 -16.877 -7.168 1.00 0.00 H new ATOM 0 HD2 ARG A 24 25.311 -19.239 -6.791 1.00 0.00 H new ATOM 0 HD3 ARG A 24 25.774 -18.533 -5.255 1.00 0.00 H new ATOM 0 HE ARG A 24 22.894 -18.745 -5.442 1.00 0.00 H new ATOM 0 HH11 ARG A 24 25.739 -20.745 -4.795 1.00 0.00 H new ATOM 0 HH12 ARG A 24 24.789 -21.917 -3.876 1.00 0.00 H new ATOM 0 HH21 ARG A 24 21.782 -20.282 -4.285 1.00 0.00 H new ATOM 0 HH22 ARG A 24 22.640 -21.665 -3.599 1.00 0.00 H new ATOM 365 N ALA A 25 24.729 -13.203 -4.386 1.00 0.00 N ATOM 366 CA ALA A 25 24.739 -12.211 -3.315 1.00 0.00 C ATOM 367 C ALA A 25 23.909 -10.970 -3.671 1.00 0.00 C ATOM 368 O ALA A 25 23.151 -10.489 -2.834 1.00 0.00 O ATOM 369 CB ALA A 25 26.195 -11.852 -3.008 1.00 0.00 C ATOM 0 H ALA A 25 25.641 -13.344 -4.820 1.00 0.00 H new ATOM 0 HA ALA A 25 24.270 -12.633 -2.426 1.00 0.00 H new ATOM 0 HB1 ALA A 25 26.226 -11.111 -2.209 1.00 0.00 H new ATOM 0 HB2 ALA A 25 26.732 -12.747 -2.694 1.00 0.00 H new ATOM 0 HB3 ALA A 25 26.665 -11.442 -3.902 1.00 0.00 H new ATOM 375 N PHE A 26 23.995 -10.470 -4.906 1.00 0.00 N ATOM 376 CA PHE A 26 23.178 -9.352 -5.368 1.00 0.00 C ATOM 377 C PHE A 26 21.692 -9.725 -5.326 1.00 0.00 C ATOM 378 O PHE A 26 20.905 -9.021 -4.697 1.00 0.00 O ATOM 379 CB PHE A 26 23.641 -8.921 -6.773 1.00 0.00 C ATOM 380 CG PHE A 26 22.855 -7.785 -7.413 1.00 0.00 C ATOM 381 CD1 PHE A 26 21.561 -8.016 -7.922 1.00 0.00 C ATOM 382 CD2 PHE A 26 23.425 -6.502 -7.540 1.00 0.00 C ATOM 383 CE1 PHE A 26 20.836 -6.975 -8.522 1.00 0.00 C ATOM 384 CE2 PHE A 26 22.704 -5.463 -8.163 1.00 0.00 C ATOM 385 CZ PHE A 26 21.407 -5.701 -8.649 1.00 0.00 C ATOM 0 H PHE A 26 24.635 -10.832 -5.613 1.00 0.00 H new ATOM 0 HA PHE A 26 23.306 -8.498 -4.703 1.00 0.00 H new ATOM 0 HB2 PHE A 26 24.688 -8.624 -6.714 1.00 0.00 H new ATOM 0 HB3 PHE A 26 23.592 -9.788 -7.432 1.00 0.00 H new ATOM 0 HD1 PHE A 26 21.124 -9.001 -7.850 1.00 0.00 H new ATOM 0 HD2 PHE A 26 24.418 -6.314 -7.159 1.00 0.00 H new ATOM 0 HE1 PHE A 26 19.836 -7.156 -8.887 1.00 0.00 H new ATOM 0 HE2 PHE A 26 23.148 -4.484 -8.267 1.00 0.00 H new ATOM 0 HZ PHE A 26 20.851 -4.904 -9.120 1.00 0.00 H new ATOM 395 N SER A 27 21.302 -10.853 -5.930 1.00 0.00 N ATOM 396 CA SER A 27 19.891 -11.264 -6.018 1.00 0.00 C ATOM 397 C SER A 27 19.271 -11.592 -4.650 1.00 0.00 C ATOM 398 O SER A 27 18.077 -11.364 -4.450 1.00 0.00 O ATOM 399 CB SER A 27 19.710 -12.436 -6.989 1.00 0.00 C ATOM 400 OG SER A 27 20.274 -13.633 -6.481 1.00 0.00 O ATOM 0 H SER A 27 21.950 -11.506 -6.371 1.00 0.00 H new ATOM 0 HA SER A 27 19.351 -10.401 -6.408 1.00 0.00 H new ATOM 0 HB2 SER A 27 18.648 -12.588 -7.181 1.00 0.00 H new ATOM 0 HB3 SER A 27 20.175 -12.192 -7.944 1.00 0.00 H new ATOM 0 HG SER A 27 20.952 -13.415 -5.807 1.00 0.00 H new ATOM 406 N ASP A 28 20.077 -12.038 -3.678 1.00 0.00 N ATOM 407 CA ASP A 28 19.659 -12.274 -2.293 1.00 0.00 C ATOM 408 C ASP A 28 19.211 -10.992 -1.562 1.00 0.00 C ATOM 409 O ASP A 28 18.306 -11.066 -0.726 1.00 0.00 O ATOM 410 CB ASP A 28 20.806 -12.943 -1.511 1.00 0.00 C ATOM 411 CG ASP A 28 20.870 -14.480 -1.628 1.00 0.00 C ATOM 412 OD1 ASP A 28 21.946 -15.053 -1.322 1.00 0.00 O ATOM 413 OD2 ASP A 28 19.842 -15.140 -1.923 1.00 0.00 O ATOM 0 H ASP A 28 21.062 -12.249 -3.838 1.00 0.00 H new ATOM 0 HA ASP A 28 18.790 -12.930 -2.336 1.00 0.00 H new ATOM 0 HB2 ASP A 28 21.752 -12.528 -1.859 1.00 0.00 H new ATOM 0 HB3 ASP A 28 20.710 -12.678 -0.458 1.00 0.00 H new ATOM 418 N LYS A 29 19.810 -9.824 -1.870 1.00 0.00 N ATOM 419 CA LYS A 29 19.429 -8.514 -1.286 1.00 0.00 C ATOM 420 C LYS A 29 18.771 -7.521 -2.266 1.00 0.00 C ATOM 421 O LYS A 29 18.416 -6.409 -1.871 1.00 0.00 O ATOM 422 CB LYS A 29 20.556 -7.890 -0.423 1.00 0.00 C ATOM 423 CG LYS A 29 22.016 -8.301 -0.701 1.00 0.00 C ATOM 424 CD LYS A 29 22.486 -9.603 -0.021 1.00 0.00 C ATOM 425 CE LYS A 29 22.446 -9.519 1.516 1.00 0.00 C ATOM 426 NZ LYS A 29 22.973 -10.758 2.162 1.00 0.00 N ATOM 0 H LYS A 29 20.579 -9.759 -2.537 1.00 0.00 H new ATOM 0 HA LYS A 29 18.618 -8.752 -0.598 1.00 0.00 H new ATOM 0 HB2 LYS A 29 20.492 -6.807 -0.529 1.00 0.00 H new ATOM 0 HB3 LYS A 29 20.340 -8.122 0.620 1.00 0.00 H new ATOM 0 HG2 LYS A 29 22.145 -8.408 -1.778 1.00 0.00 H new ATOM 0 HG3 LYS A 29 22.670 -7.489 -0.381 1.00 0.00 H new ATOM 0 HD2 LYS A 29 21.856 -10.429 -0.352 1.00 0.00 H new ATOM 0 HD3 LYS A 29 23.503 -9.829 -0.342 1.00 0.00 H new ATOM 0 HE2 LYS A 29 23.032 -8.661 1.847 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.420 -9.349 1.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 22.927 -10.657 3.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 22.399 -11.574 1.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 23.961 -10.907 1.872 1.00 0.00 H new ATOM 440 N TRP A 30 18.561 -7.913 -3.522 1.00 0.00 N ATOM 441 CA TRP A 30 17.939 -7.075 -4.553 1.00 0.00 C ATOM 442 C TRP A 30 16.472 -6.715 -4.248 1.00 0.00 C ATOM 443 O TRP A 30 15.652 -7.582 -3.936 1.00 0.00 O ATOM 444 CB TRP A 30 18.051 -7.756 -5.923 1.00 0.00 C ATOM 445 CG TRP A 30 17.409 -6.978 -7.027 1.00 0.00 C ATOM 446 CD1 TRP A 30 16.352 -7.380 -7.767 1.00 0.00 C ATOM 447 CD2 TRP A 30 17.714 -5.621 -7.467 1.00 0.00 C ATOM 448 NE1 TRP A 30 15.985 -6.370 -8.635 1.00 0.00 N ATOM 449 CE2 TRP A 30 16.781 -5.254 -8.482 1.00 0.00 C ATOM 450 CE3 TRP A 30 18.670 -4.654 -7.092 1.00 0.00 C ATOM 451 CZ2 TRP A 30 16.797 -3.995 -9.095 1.00 0.00 C ATOM 452 CZ3 TRP A 30 18.687 -3.381 -7.689 1.00 0.00 C ATOM 453 CH2 TRP A 30 17.758 -3.048 -8.690 1.00 0.00 C ATOM 0 H TRP A 30 18.822 -8.839 -3.860 1.00 0.00 H new ATOM 0 HA TRP A 30 18.487 -6.133 -4.562 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.104 -7.908 -6.160 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.591 -8.743 -5.869 1.00 0.00 H new ATOM 0 HD1 TRP A 30 15.869 -8.343 -7.691 1.00 0.00 H new ATOM 0 HE1 TRP A 30 15.220 -6.441 -9.306 1.00 0.00 H new ATOM 0 HE3 TRP A 30 19.401 -4.895 -6.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 16.082 -3.753 -9.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 19.420 -2.653 -7.376 1.00 0.00 H new ATOM 0 HH2 TRP A 30 17.781 -2.070 -9.147 1.00 0.00 H new ATOM 464 N GLU A 31 16.145 -5.425 -4.381 1.00 0.00 N ATOM 465 CA GLU A 31 14.791 -4.860 -4.334 1.00 0.00 C ATOM 466 C GLU A 31 14.805 -3.476 -5.015 1.00 0.00 C ATOM 467 O GLU A 31 15.732 -2.691 -4.796 1.00 0.00 O ATOM 468 CB GLU A 31 14.322 -4.737 -2.871 1.00 0.00 C ATOM 469 CG GLU A 31 12.870 -4.261 -2.751 1.00 0.00 C ATOM 470 CD GLU A 31 12.416 -4.257 -1.279 1.00 0.00 C ATOM 471 OE1 GLU A 31 11.837 -5.270 -0.812 1.00 0.00 O ATOM 472 OE2 GLU A 31 12.627 -3.239 -0.574 1.00 0.00 O ATOM 0 H GLU A 31 16.855 -4.709 -4.532 1.00 0.00 H new ATOM 0 HA GLU A 31 14.097 -5.515 -4.860 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.424 -5.704 -2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.973 -4.040 -2.343 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.775 -3.258 -3.168 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.220 -4.912 -3.335 1.00 0.00 H new ATOM 479 N SER A 32 13.788 -3.163 -5.831 1.00 0.00 N ATOM 480 CA SER A 32 13.640 -1.846 -6.475 1.00 0.00 C ATOM 481 C SER A 32 12.175 -1.459 -6.742 1.00 0.00 C ATOM 482 O SER A 32 11.274 -2.298 -6.675 1.00 0.00 O ATOM 483 CB SER A 32 14.451 -1.788 -7.760 1.00 0.00 C ATOM 484 OG SER A 32 14.731 -0.426 -8.035 1.00 0.00 O ATOM 0 H SER A 32 13.041 -3.817 -6.065 1.00 0.00 H new ATOM 0 HA SER A 32 14.027 -1.112 -5.768 1.00 0.00 H new ATOM 0 HB2 SER A 32 15.376 -2.354 -7.653 1.00 0.00 H new ATOM 0 HB3 SER A 32 13.895 -2.237 -8.583 1.00 0.00 H new ATOM 0 HG SER A 32 14.867 -0.308 -8.998 1.00 0.00 H new ATOM 490 N ASP A 33 11.933 -0.177 -7.041 1.00 0.00 N ATOM 491 CA ASP A 33 10.585 0.393 -7.221 1.00 0.00 C ATOM 492 C ASP A 33 10.034 0.271 -8.661 1.00 0.00 C ATOM 493 O ASP A 33 8.817 0.266 -8.867 1.00 0.00 O ATOM 494 CB ASP A 33 10.609 1.859 -6.771 1.00 0.00 C ATOM 495 CG ASP A 33 9.188 2.443 -6.667 1.00 0.00 C ATOM 496 OD1 ASP A 33 8.445 2.055 -5.731 1.00 0.00 O ATOM 497 OD2 ASP A 33 8.820 3.310 -7.494 1.00 0.00 O ATOM 0 H ASP A 33 12.678 0.508 -7.168 1.00 0.00 H new ATOM 0 HA ASP A 33 9.901 -0.192 -6.606 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.106 1.935 -5.804 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.194 2.448 -7.478 1.00 0.00 H new ATOM 502 N TYR A 34 10.923 0.154 -9.657 1.00 0.00 N ATOM 503 CA TYR A 34 10.583 -0.050 -11.072 1.00 0.00 C ATOM 504 C TYR A 34 10.342 -1.544 -11.408 1.00 0.00 C ATOM 505 O TYR A 34 10.249 -2.400 -10.525 1.00 0.00 O ATOM 506 CB TYR A 34 11.666 0.608 -11.956 1.00 0.00 C ATOM 507 CG TYR A 34 12.920 -0.226 -12.142 1.00 0.00 C ATOM 508 CD1 TYR A 34 13.779 -0.435 -11.054 1.00 0.00 C ATOM 509 CD2 TYR A 34 13.200 -0.842 -13.378 1.00 0.00 C ATOM 510 CE1 TYR A 34 14.882 -1.301 -11.162 1.00 0.00 C ATOM 511 CE2 TYR A 34 14.312 -1.696 -13.501 1.00 0.00 C ATOM 512 CZ TYR A 34 15.155 -1.933 -12.395 1.00 0.00 C ATOM 513 OH TYR A 34 16.223 -2.762 -12.532 1.00 0.00 O ATOM 0 H TYR A 34 11.929 0.200 -9.495 1.00 0.00 H new ATOM 0 HA TYR A 34 9.632 0.438 -11.285 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.238 0.820 -12.936 1.00 0.00 H new ATOM 0 HB3 TYR A 34 11.944 1.566 -11.515 1.00 0.00 H new ATOM 0 HD1 TYR A 34 13.591 0.075 -10.121 1.00 0.00 H new ATOM 0 HD2 TYR A 34 12.562 -0.659 -14.230 1.00 0.00 H new ATOM 0 HE1 TYR A 34 15.517 -1.482 -10.307 1.00 0.00 H new ATOM 0 HE2 TYR A 34 14.521 -2.173 -14.447 1.00 0.00 H new ATOM 0 HH TYR A 34 16.254 -3.107 -13.449 1.00 0.00 H new ATOM 523 N THR A 35 10.253 -1.871 -12.703 1.00 0.00 N ATOM 524 CA THR A 35 9.893 -3.201 -13.237 1.00 0.00 C ATOM 525 C THR A 35 10.993 -4.266 -13.059 1.00 0.00 C ATOM 526 O THR A 35 10.771 -5.432 -13.363 1.00 0.00 O ATOM 527 CB THR A 35 9.482 -3.078 -14.723 1.00 0.00 C ATOM 528 OG1 THR A 35 8.882 -1.818 -14.982 1.00 0.00 O ATOM 529 CG2 THR A 35 8.458 -4.134 -15.153 1.00 0.00 C ATOM 0 H THR A 35 10.436 -1.192 -13.442 1.00 0.00 H new ATOM 0 HA THR A 35 9.048 -3.554 -12.646 1.00 0.00 H new ATOM 0 HB THR A 35 10.408 -3.212 -15.282 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.632 -1.763 -15.928 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.211 -3.994 -16.205 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.879 -5.129 -15.008 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.555 -4.031 -14.551 1.00 0.00 H new ATOM 537 N GLY A 36 12.188 -3.917 -12.564 1.00 0.00 N ATOM 538 CA GLY A 36 13.216 -4.894 -12.164 1.00 0.00 C ATOM 539 C GLY A 36 13.822 -5.724 -13.297 1.00 0.00 C ATOM 540 O GLY A 36 14.322 -6.825 -13.071 1.00 0.00 O ATOM 0 H GLY A 36 12.472 -2.947 -12.428 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.021 -4.360 -11.659 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.779 -5.575 -11.434 1.00 0.00 H new ATOM 544 N ASN A 37 13.776 -5.229 -14.534 1.00 0.00 N ATOM 545 CA ASN A 37 14.256 -5.955 -15.715 1.00 0.00 C ATOM 546 C ASN A 37 15.774 -5.805 -15.925 1.00 0.00 C ATOM 547 O ASN A 37 16.230 -5.213 -16.902 1.00 0.00 O ATOM 548 CB ASN A 37 13.442 -5.557 -16.954 1.00 0.00 C ATOM 549 CG ASN A 37 11.948 -5.801 -16.843 1.00 0.00 C ATOM 550 OD1 ASN A 37 11.142 -4.897 -16.990 1.00 0.00 O ATOM 551 ND2 ASN A 37 11.525 -7.024 -16.602 1.00 0.00 N ATOM 0 H ASN A 37 13.402 -4.305 -14.749 1.00 0.00 H new ATOM 0 HA ASN A 37 14.096 -7.019 -15.542 1.00 0.00 H new ATOM 0 HB2 ASN A 37 13.609 -4.499 -17.156 1.00 0.00 H new ATOM 0 HB3 ASN A 37 13.823 -6.109 -17.813 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.525 -7.215 -16.538 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.197 -7.781 -16.479 1.00 0.00 H new ATOM 558 N LEU A 38 16.556 -6.352 -14.997 1.00 0.00 N ATOM 559 CA LEU A 38 18.025 -6.281 -14.983 1.00 0.00 C ATOM 560 C LEU A 38 18.721 -7.646 -15.013 1.00 0.00 C ATOM 561 O LEU A 38 18.196 -8.620 -14.482 1.00 0.00 O ATOM 562 CB LEU A 38 18.521 -5.425 -13.803 1.00 0.00 C ATOM 563 CG LEU A 38 18.614 -6.117 -12.425 1.00 0.00 C ATOM 564 CD1 LEU A 38 19.158 -5.137 -11.397 1.00 0.00 C ATOM 565 CD2 LEU A 38 17.278 -6.601 -11.873 1.00 0.00 C ATOM 0 H LEU A 38 16.178 -6.875 -14.207 1.00 0.00 H new ATOM 0 HA LEU A 38 18.307 -5.796 -15.917 1.00 0.00 H new ATOM 0 HB2 LEU A 38 19.509 -5.039 -14.056 1.00 0.00 H new ATOM 0 HB3 LEU A 38 17.858 -4.565 -13.706 1.00 0.00 H new ATOM 0 HG LEU A 38 19.259 -6.980 -12.588 1.00 0.00 H new ATOM 0 HD11 LEU A 38 19.223 -5.627 -10.426 1.00 0.00 H new ATOM 0 HD12 LEU A 38 20.150 -4.803 -11.702 1.00 0.00 H new ATOM 0 HD13 LEU A 38 18.492 -4.277 -11.326 1.00 0.00 H new ATOM 0 HD21 LEU A 38 17.435 -7.074 -10.904 1.00 0.00 H new ATOM 0 HD22 LEU A 38 16.603 -5.753 -11.758 1.00 0.00 H new ATOM 0 HD23 LEU A 38 16.840 -7.323 -12.562 1.00 0.00 H new ATOM 577 N THR A 39 19.929 -7.693 -15.574 1.00 0.00 N ATOM 578 CA THR A 39 20.809 -8.872 -15.577 1.00 0.00 C ATOM 579 C THR A 39 22.259 -8.500 -15.248 1.00 0.00 C ATOM 580 O THR A 39 22.653 -7.336 -15.341 1.00 0.00 O ATOM 581 CB THR A 39 20.692 -9.646 -16.894 1.00 0.00 C ATOM 582 OG1 THR A 39 21.254 -10.920 -16.676 1.00 0.00 O ATOM 583 CG2 THR A 39 21.391 -8.991 -18.081 1.00 0.00 C ATOM 0 H THR A 39 20.338 -6.891 -16.054 1.00 0.00 H new ATOM 0 HA THR A 39 20.473 -9.538 -14.782 1.00 0.00 H new ATOM 0 HB THR A 39 19.636 -9.681 -17.161 1.00 0.00 H new ATOM 0 HG1 THR A 39 22.096 -10.995 -17.171 1.00 0.00 H new ATOM 0 HG21 THR A 39 21.255 -9.608 -18.969 1.00 0.00 H new ATOM 0 HG22 THR A 39 20.963 -8.004 -18.256 1.00 0.00 H new ATOM 0 HG23 THR A 39 22.455 -8.892 -17.867 1.00 0.00 H new ATOM 591 N ILE A 40 23.054 -9.487 -14.828 1.00 0.00 N ATOM 592 CA ILE A 40 24.413 -9.316 -14.295 1.00 0.00 C ATOM 593 C ILE A 40 25.394 -10.045 -15.208 1.00 0.00 C ATOM 594 O ILE A 40 25.268 -11.245 -15.439 1.00 0.00 O ATOM 595 CB ILE A 40 24.497 -9.860 -12.854 1.00 0.00 C ATOM 596 CG1 ILE A 40 23.552 -9.078 -11.914 1.00 0.00 C ATOM 597 CG2 ILE A 40 25.934 -9.813 -12.295 1.00 0.00 C ATOM 598 CD1 ILE A 40 23.302 -9.819 -10.602 1.00 0.00 C ATOM 0 H ILE A 40 22.761 -10.464 -14.849 1.00 0.00 H new ATOM 0 HA ILE A 40 24.667 -8.256 -14.265 1.00 0.00 H new ATOM 0 HB ILE A 40 24.185 -10.904 -12.897 1.00 0.00 H new ATOM 0 HG12 ILE A 40 23.982 -8.100 -11.701 1.00 0.00 H new ATOM 0 HG13 ILE A 40 22.601 -8.905 -12.419 1.00 0.00 H new ATOM 0 HG21 ILE A 40 25.942 -10.206 -11.278 1.00 0.00 H new ATOM 0 HG22 ILE A 40 26.589 -10.417 -12.923 1.00 0.00 H new ATOM 0 HG23 ILE A 40 26.288 -8.782 -12.288 1.00 0.00 H new ATOM 0 HD11 ILE A 40 22.633 -9.231 -9.974 1.00 0.00 H new ATOM 0 HD12 ILE A 40 22.846 -10.787 -10.812 1.00 0.00 H new ATOM 0 HD13 ILE A 40 24.249 -9.969 -10.083 1.00 0.00 H new ATOM 610 N ASN A 41 26.405 -9.320 -15.678 1.00 0.00 N ATOM 611 CA ASN A 41 27.418 -9.801 -16.607 1.00 0.00 C ATOM 612 C ASN A 41 28.793 -9.665 -15.937 1.00 0.00 C ATOM 613 O ASN A 41 29.017 -8.689 -15.219 1.00 0.00 O ATOM 614 CB ASN A 41 27.327 -8.989 -17.919 1.00 0.00 C ATOM 615 CG ASN A 41 25.904 -8.796 -18.447 1.00 0.00 C ATOM 616 OD1 ASN A 41 25.413 -9.555 -19.269 1.00 0.00 O ATOM 617 ND2 ASN A 41 25.213 -7.766 -17.997 1.00 0.00 N ATOM 0 H ASN A 41 26.545 -8.345 -15.411 1.00 0.00 H new ATOM 0 HA ASN A 41 27.261 -10.850 -16.857 1.00 0.00 H new ATOM 0 HB2 ASN A 41 27.777 -8.010 -17.757 1.00 0.00 H new ATOM 0 HB3 ASN A 41 27.920 -9.490 -18.684 1.00 0.00 H new ATOM 0 HD21 ASN A 41 24.265 -7.601 -18.335 1.00 0.00 H new ATOM 0 HD22 ASN A 41 25.627 -7.135 -17.311 1.00 0.00 H new ATOM 624 N GLU A 42 29.727 -10.589 -16.168 1.00 0.00 N ATOM 625 CA GLU A 42 31.131 -10.399 -15.773 1.00 0.00 C ATOM 626 C GLU A 42 32.127 -10.681 -16.905 1.00 0.00 C ATOM 627 O GLU A 42 31.880 -11.524 -17.770 1.00 0.00 O ATOM 628 CB GLU A 42 31.470 -11.162 -14.482 1.00 0.00 C ATOM 629 CG GLU A 42 31.723 -12.663 -14.653 1.00 0.00 C ATOM 630 CD GLU A 42 33.170 -13.070 -14.920 1.00 0.00 C ATOM 631 OE1 GLU A 42 34.092 -12.440 -14.360 1.00 0.00 O ATOM 632 OE2 GLU A 42 33.344 -14.096 -15.608 1.00 0.00 O ATOM 0 H GLU A 42 29.540 -11.480 -16.628 1.00 0.00 H new ATOM 0 HA GLU A 42 31.242 -9.337 -15.554 1.00 0.00 H new ATOM 0 HB2 GLU A 42 32.355 -10.710 -14.035 1.00 0.00 H new ATOM 0 HB3 GLU A 42 30.652 -11.027 -13.775 1.00 0.00 H new ATOM 0 HG2 GLU A 42 31.383 -13.174 -13.752 1.00 0.00 H new ATOM 0 HG3 GLU A 42 31.107 -13.024 -15.476 1.00 0.00 H new ATOM 639 N ARG A 43 33.271 -9.986 -16.869 1.00 0.00 N ATOM 640 CA ARG A 43 34.445 -10.254 -17.700 1.00 0.00 C ATOM 641 C ARG A 43 35.582 -10.759 -16.805 1.00 0.00 C ATOM 642 O ARG A 43 36.041 -9.993 -15.953 1.00 0.00 O ATOM 643 CB ARG A 43 34.821 -8.995 -18.498 1.00 0.00 C ATOM 644 CG ARG A 43 35.996 -9.252 -19.456 1.00 0.00 C ATOM 645 CD ARG A 43 36.316 -8.002 -20.282 1.00 0.00 C ATOM 646 NE ARG A 43 37.450 -8.244 -21.195 1.00 0.00 N ATOM 647 CZ ARG A 43 37.899 -7.430 -22.137 1.00 0.00 C ATOM 648 NH1 ARG A 43 37.362 -6.262 -22.360 1.00 0.00 N ATOM 649 NH2 ARG A 43 38.908 -7.779 -22.883 1.00 0.00 N ATOM 0 H ARG A 43 33.406 -9.196 -16.238 1.00 0.00 H new ATOM 0 HA ARG A 43 34.232 -11.033 -18.433 1.00 0.00 H new ATOM 0 HB2 ARG A 43 33.956 -8.655 -19.068 1.00 0.00 H new ATOM 0 HB3 ARG A 43 35.084 -8.193 -17.808 1.00 0.00 H new ATOM 0 HG2 ARG A 43 36.876 -9.550 -18.886 1.00 0.00 H new ATOM 0 HG3 ARG A 43 35.752 -10.080 -20.122 1.00 0.00 H new ATOM 0 HD2 ARG A 43 35.438 -7.708 -20.857 1.00 0.00 H new ATOM 0 HD3 ARG A 43 36.552 -7.173 -19.615 1.00 0.00 H new ATOM 0 HE ARG A 43 37.939 -9.133 -21.089 1.00 0.00 H new ATOM 0 HH11 ARG A 43 36.569 -5.950 -21.799 1.00 0.00 H new ATOM 0 HH12 ARG A 43 37.735 -5.661 -23.095 1.00 0.00 H new ATOM 0 HH21 ARG A 43 39.357 -8.684 -22.743 1.00 0.00 H new ATOM 0 HH22 ARG A 43 39.249 -7.147 -23.607 1.00 0.00 H new ATOM 663 N PRO A 44 36.048 -12.006 -16.996 1.00 0.00 N ATOM 664 CA PRO A 44 37.122 -12.587 -16.206 1.00 0.00 C ATOM 665 C PRO A 44 38.472 -12.033 -16.691 1.00 0.00 C ATOM 666 O PRO A 44 38.830 -12.168 -17.865 1.00 0.00 O ATOM 667 CB PRO A 44 36.962 -14.099 -16.398 1.00 0.00 C ATOM 668 CG PRO A 44 36.388 -14.228 -17.807 1.00 0.00 C ATOM 669 CD PRO A 44 35.521 -12.983 -17.940 1.00 0.00 C ATOM 0 HA PRO A 44 37.084 -12.342 -15.145 1.00 0.00 H new ATOM 0 HB2 PRO A 44 37.916 -14.617 -16.306 1.00 0.00 H new ATOM 0 HB3 PRO A 44 36.293 -14.528 -15.652 1.00 0.00 H new ATOM 0 HG2 PRO A 44 37.174 -14.255 -18.562 1.00 0.00 H new ATOM 0 HG3 PRO A 44 35.804 -15.141 -17.923 1.00 0.00 H new ATOM 0 HD2 PRO A 44 35.554 -12.595 -18.958 1.00 0.00 H new ATOM 0 HD3 PRO A 44 34.478 -13.212 -17.719 1.00 0.00 H new ATOM 677 N SER A 45 39.222 -11.401 -15.784 1.00 0.00 N ATOM 678 CA SER A 45 40.423 -10.619 -16.103 1.00 0.00 C ATOM 679 C SER A 45 41.542 -10.936 -15.109 1.00 0.00 C ATOM 680 O SER A 45 41.652 -10.320 -14.046 1.00 0.00 O ATOM 681 CB SER A 45 40.088 -9.118 -16.111 1.00 0.00 C ATOM 682 OG SER A 45 39.157 -8.815 -17.142 1.00 0.00 O ATOM 0 H SER A 45 39.008 -11.418 -14.787 1.00 0.00 H new ATOM 0 HA SER A 45 40.775 -10.892 -17.098 1.00 0.00 H new ATOM 0 HB2 SER A 45 39.675 -8.828 -15.145 1.00 0.00 H new ATOM 0 HB3 SER A 45 40.999 -8.538 -16.256 1.00 0.00 H new ATOM 0 HG SER A 45 38.956 -7.856 -17.129 1.00 0.00 H new ATOM 688 N ALA A 46 42.408 -11.886 -15.475 1.00 0.00 N ATOM 689 CA ALA A 46 43.431 -12.478 -14.601 1.00 0.00 C ATOM 690 C ALA A 46 44.505 -11.499 -14.080 1.00 0.00 C ATOM 691 O ALA A 46 45.257 -11.838 -13.162 1.00 0.00 O ATOM 692 CB ALA A 46 44.057 -13.662 -15.348 1.00 0.00 C ATOM 0 H ALA A 46 42.418 -12.278 -16.417 1.00 0.00 H new ATOM 0 HA ALA A 46 42.931 -12.803 -13.689 1.00 0.00 H new ATOM 0 HB1 ALA A 46 44.822 -14.123 -14.723 1.00 0.00 H new ATOM 0 HB2 ALA A 46 43.285 -14.396 -15.578 1.00 0.00 H new ATOM 0 HB3 ALA A 46 44.510 -13.309 -16.275 1.00 0.00 H new ATOM 698 N ARG A 47 44.529 -10.261 -14.598 1.00 0.00 N ATOM 699 CA ARG A 47 45.258 -9.117 -14.015 1.00 0.00 C ATOM 700 C ARG A 47 44.932 -8.885 -12.528 1.00 0.00 C ATOM 701 O ARG A 47 45.819 -8.458 -11.788 1.00 0.00 O ATOM 702 CB ARG A 47 45.002 -7.850 -14.861 1.00 0.00 C ATOM 703 CG ARG A 47 43.548 -7.344 -14.789 1.00 0.00 C ATOM 704 CD ARG A 47 43.234 -6.234 -15.801 1.00 0.00 C ATOM 705 NE ARG A 47 43.903 -4.958 -15.464 1.00 0.00 N ATOM 706 CZ ARG A 47 43.758 -3.804 -16.094 1.00 0.00 C ATOM 707 NH1 ARG A 47 42.992 -3.676 -17.141 1.00 0.00 N ATOM 708 NH2 ARG A 47 44.388 -2.742 -15.679 1.00 0.00 N ATOM 0 H ARG A 47 44.031 -10.019 -15.455 1.00 0.00 H new ATOM 0 HA ARG A 47 46.321 -9.356 -14.043 1.00 0.00 H new ATOM 0 HB2 ARG A 47 45.671 -7.058 -14.525 1.00 0.00 H new ATOM 0 HB3 ARG A 47 45.254 -8.060 -15.900 1.00 0.00 H new ATOM 0 HG2 ARG A 47 42.872 -8.182 -14.959 1.00 0.00 H new ATOM 0 HG3 ARG A 47 43.350 -6.974 -13.783 1.00 0.00 H new ATOM 0 HD2 ARG A 47 43.546 -6.553 -16.795 1.00 0.00 H new ATOM 0 HD3 ARG A 47 42.156 -6.077 -15.841 1.00 0.00 H new ATOM 0 HE ARG A 47 44.539 -4.969 -14.667 1.00 0.00 H new ATOM 0 HH11 ARG A 47 42.480 -4.482 -17.500 1.00 0.00 H new ATOM 0 HH12 ARG A 47 42.905 -2.770 -17.601 1.00 0.00 H new ATOM 0 HH21 ARG A 47 44.998 -2.797 -14.863 1.00 0.00 H new ATOM 0 HH22 ARG A 47 44.271 -1.855 -16.170 1.00 0.00 H new ATOM 722 N ALA A 48 43.695 -9.177 -12.093 1.00 0.00 N ATOM 723 CA ALA A 48 43.299 -9.118 -10.677 1.00 0.00 C ATOM 724 C ALA A 48 42.033 -9.921 -10.298 1.00 0.00 C ATOM 725 O ALA A 48 41.965 -10.415 -9.173 1.00 0.00 O ATOM 726 CB ALA A 48 43.076 -7.650 -10.291 1.00 0.00 C ATOM 0 H ALA A 48 42.939 -9.462 -12.716 1.00 0.00 H new ATOM 0 HA ALA A 48 44.117 -9.586 -10.129 1.00 0.00 H new ATOM 0 HB1 ALA A 48 42.782 -7.590 -9.243 1.00 0.00 H new ATOM 0 HB2 ALA A 48 43.999 -7.090 -10.441 1.00 0.00 H new ATOM 0 HB3 ALA A 48 42.289 -7.226 -10.914 1.00 0.00 H new ATOM 732 N GLY A 49 41.020 -10.038 -11.171 1.00 0.00 N ATOM 733 CA GLY A 49 39.706 -10.586 -10.794 1.00 0.00 C ATOM 734 C GLY A 49 38.654 -10.514 -11.907 1.00 0.00 C ATOM 735 O GLY A 49 38.834 -11.129 -12.957 1.00 0.00 O ATOM 0 H GLY A 49 41.086 -9.758 -12.150 1.00 0.00 H new ATOM 0 HA2 GLY A 49 39.831 -11.626 -10.494 1.00 0.00 H new ATOM 0 HA3 GLY A 49 39.335 -10.045 -9.923 1.00 0.00 H new ATOM 739 N SER A 50 37.546 -9.795 -11.685 1.00 0.00 N ATOM 740 CA SER A 50 36.440 -9.681 -12.651 1.00 0.00 C ATOM 741 C SER A 50 35.868 -8.271 -12.788 1.00 0.00 C ATOM 742 O SER A 50 35.683 -7.552 -11.807 1.00 0.00 O ATOM 743 CB SER A 50 35.300 -10.649 -12.323 1.00 0.00 C ATOM 744 OG SER A 50 34.830 -10.512 -10.997 1.00 0.00 O ATOM 0 H SER A 50 37.389 -9.271 -10.824 1.00 0.00 H new ATOM 0 HA SER A 50 36.891 -9.943 -13.608 1.00 0.00 H new ATOM 0 HB2 SER A 50 34.475 -10.480 -13.015 1.00 0.00 H new ATOM 0 HB3 SER A 50 35.642 -11.672 -12.479 1.00 0.00 H new ATOM 0 HG SER A 50 34.103 -11.150 -10.840 1.00 0.00 H new ATOM 750 N TRP A 51 35.525 -7.884 -14.018 1.00 0.00 N ATOM 751 CA TRP A 51 34.741 -6.677 -14.294 1.00 0.00 C ATOM 752 C TRP A 51 33.256 -7.023 -14.295 1.00 0.00 C ATOM 753 O TRP A 51 32.812 -7.773 -15.156 1.00 0.00 O ATOM 754 CB TRP A 51 35.192 -6.033 -15.613 1.00 0.00 C ATOM 755 CG TRP A 51 36.010 -4.797 -15.431 1.00 0.00 C ATOM 756 CD1 TRP A 51 37.344 -4.688 -15.626 1.00 0.00 C ATOM 757 CD2 TRP A 51 35.557 -3.479 -14.997 1.00 0.00 C ATOM 758 NE1 TRP A 51 37.752 -3.404 -15.322 1.00 0.00 N ATOM 759 CE2 TRP A 51 36.688 -2.606 -14.955 1.00 0.00 C ATOM 760 CE3 TRP A 51 34.303 -2.934 -14.637 1.00 0.00 C ATOM 761 CZ2 TRP A 51 36.577 -1.255 -14.596 1.00 0.00 C ATOM 762 CZ3 TRP A 51 34.185 -1.579 -14.276 1.00 0.00 C ATOM 763 CH2 TRP A 51 35.312 -0.739 -14.265 1.00 0.00 C ATOM 0 H TRP A 51 35.785 -8.402 -14.857 1.00 0.00 H new ATOM 0 HA TRP A 51 34.911 -5.939 -13.510 1.00 0.00 H new ATOM 0 HB2 TRP A 51 35.771 -6.760 -16.182 1.00 0.00 H new ATOM 0 HB3 TRP A 51 34.311 -5.790 -16.208 1.00 0.00 H new ATOM 0 HD1 TRP A 51 37.991 -5.483 -15.967 1.00 0.00 H new ATOM 0 HE1 TRP A 51 38.720 -3.085 -15.364 1.00 0.00 H new ATOM 0 HE3 TRP A 51 33.426 -3.565 -14.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 37.451 -0.620 -14.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 33.219 -1.180 -14.005 1.00 0.00 H new ATOM 0 HH2 TRP A 51 35.206 0.303 -14.002 1.00 0.00 H new ATOM 774 N ILE A 52 32.497 -6.494 -13.336 1.00 0.00 N ATOM 775 CA ILE A 52 31.048 -6.694 -13.202 1.00 0.00 C ATOM 776 C ILE A 52 30.310 -5.559 -13.898 1.00 0.00 C ATOM 777 O ILE A 52 30.606 -4.392 -13.648 1.00 0.00 O ATOM 778 CB ILE A 52 30.634 -6.776 -11.717 1.00 0.00 C ATOM 779 CG1 ILE A 52 31.442 -7.817 -10.917 1.00 0.00 C ATOM 780 CG2 ILE A 52 29.128 -7.072 -11.584 1.00 0.00 C ATOM 781 CD1 ILE A 52 31.407 -9.233 -11.505 1.00 0.00 C ATOM 0 H ILE A 52 32.883 -5.895 -12.606 1.00 0.00 H new ATOM 0 HA ILE A 52 30.782 -7.640 -13.674 1.00 0.00 H new ATOM 0 HB ILE A 52 30.856 -5.799 -11.289 1.00 0.00 H new ATOM 0 HG12 ILE A 52 32.479 -7.487 -10.858 1.00 0.00 H new ATOM 0 HG13 ILE A 52 31.059 -7.851 -9.897 1.00 0.00 H new ATOM 0 HG21 ILE A 52 28.859 -7.125 -10.529 1.00 0.00 H new ATOM 0 HG22 ILE A 52 28.557 -6.277 -12.064 1.00 0.00 H new ATOM 0 HG23 ILE A 52 28.900 -8.023 -12.065 1.00 0.00 H new ATOM 0 HD11 ILE A 52 32.001 -9.901 -10.881 1.00 0.00 H new ATOM 0 HD12 ILE A 52 30.377 -9.588 -11.539 1.00 0.00 H new ATOM 0 HD13 ILE A 52 31.819 -9.218 -12.514 1.00 0.00 H new ATOM 793 N THR A 53 29.308 -5.902 -14.703 1.00 0.00 N ATOM 794 CA THR A 53 28.507 -4.948 -15.481 1.00 0.00 C ATOM 795 C THR A 53 27.039 -5.348 -15.400 1.00 0.00 C ATOM 796 O THR A 53 26.653 -6.414 -15.881 1.00 0.00 O ATOM 797 CB THR A 53 28.991 -4.902 -16.945 1.00 0.00 C ATOM 798 OG1 THR A 53 30.385 -4.679 -16.994 1.00 0.00 O ATOM 799 CG2 THR A 53 28.355 -3.759 -17.734 1.00 0.00 C ATOM 0 H THR A 53 29.020 -6.871 -14.839 1.00 0.00 H new ATOM 0 HA THR A 53 28.625 -3.947 -15.066 1.00 0.00 H new ATOM 0 HB THR A 53 28.710 -5.861 -17.380 1.00 0.00 H new ATOM 0 HG1 THR A 53 30.680 -4.654 -17.928 1.00 0.00 H new ATOM 0 HG21 THR A 53 28.729 -3.771 -18.758 1.00 0.00 H new ATOM 0 HG22 THR A 53 27.272 -3.881 -17.742 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.610 -2.808 -17.266 1.00 0.00 H new ATOM 807 N ILE A 54 26.203 -4.504 -14.796 1.00 0.00 N ATOM 808 CA ILE A 54 24.754 -4.725 -14.691 1.00 0.00 C ATOM 809 C ILE A 54 24.042 -3.927 -15.780 1.00 0.00 C ATOM 810 O ILE A 54 24.268 -2.724 -15.960 1.00 0.00 O ATOM 811 CB ILE A 54 24.246 -4.515 -13.245 1.00 0.00 C ATOM 812 CG1 ILE A 54 22.716 -4.629 -13.051 1.00 0.00 C ATOM 813 CG2 ILE A 54 24.775 -3.222 -12.611 1.00 0.00 C ATOM 814 CD1 ILE A 54 21.869 -3.445 -13.542 1.00 0.00 C ATOM 0 H ILE A 54 26.513 -3.636 -14.359 1.00 0.00 H new ATOM 0 HA ILE A 54 24.507 -5.769 -14.884 1.00 0.00 H new ATOM 0 HB ILE A 54 24.671 -5.366 -12.713 1.00 0.00 H new ATOM 0 HG12 ILE A 54 22.374 -5.528 -13.564 1.00 0.00 H new ATOM 0 HG13 ILE A 54 22.517 -4.773 -11.989 1.00 0.00 H new ATOM 0 HG21 ILE A 54 24.386 -3.128 -11.597 1.00 0.00 H new ATOM 0 HG22 ILE A 54 25.864 -3.251 -12.580 1.00 0.00 H new ATOM 0 HG23 ILE A 54 24.452 -2.367 -13.205 1.00 0.00 H new ATOM 0 HD11 ILE A 54 20.815 -3.647 -13.349 1.00 0.00 H new ATOM 0 HD12 ILE A 54 22.168 -2.540 -13.013 1.00 0.00 H new ATOM 0 HD13 ILE A 54 22.022 -3.307 -14.612 1.00 0.00 H new ATOM 826 N THR A 55 23.177 -4.619 -16.518 1.00 0.00 N ATOM 827 CA THR A 55 22.419 -4.071 -17.645 1.00 0.00 C ATOM 828 C THR A 55 20.915 -4.172 -17.388 1.00 0.00 C ATOM 829 O THR A 55 20.430 -5.183 -16.885 1.00 0.00 O ATOM 830 CB THR A 55 22.819 -4.760 -18.964 1.00 0.00 C ATOM 831 OG1 THR A 55 22.776 -6.163 -18.826 1.00 0.00 O ATOM 832 CG2 THR A 55 24.255 -4.446 -19.385 1.00 0.00 C ATOM 0 H THR A 55 22.977 -5.604 -16.345 1.00 0.00 H new ATOM 0 HA THR A 55 22.665 -3.014 -17.742 1.00 0.00 H new ATOM 0 HB THR A 55 22.111 -4.387 -19.704 1.00 0.00 H new ATOM 0 HG1 THR A 55 23.031 -6.583 -19.674 1.00 0.00 H new ATOM 0 HG21 THR A 55 24.480 -4.958 -20.320 1.00 0.00 H new ATOM 0 HG22 THR A 55 24.366 -3.371 -19.524 1.00 0.00 H new ATOM 0 HG23 THR A 55 24.943 -4.785 -18.611 1.00 0.00 H new ATOM 840 N VAL A 56 20.162 -3.120 -17.727 1.00 0.00 N ATOM 841 CA VAL A 56 18.688 -3.091 -17.709 1.00 0.00 C ATOM 842 C VAL A 56 18.190 -3.306 -19.134 1.00 0.00 C ATOM 843 O VAL A 56 18.484 -2.513 -20.024 1.00 0.00 O ATOM 844 CB VAL A 56 18.159 -1.801 -17.047 1.00 0.00 C ATOM 845 CG1 VAL A 56 16.683 -1.506 -17.342 1.00 0.00 C ATOM 846 CG2 VAL A 56 18.281 -1.970 -15.531 1.00 0.00 C ATOM 0 H VAL A 56 20.570 -2.236 -18.031 1.00 0.00 H new ATOM 0 HA VAL A 56 18.293 -3.897 -17.091 1.00 0.00 H new ATOM 0 HB VAL A 56 18.749 -0.978 -17.450 1.00 0.00 H new ATOM 0 HG11 VAL A 56 16.389 -0.584 -16.841 1.00 0.00 H new ATOM 0 HG12 VAL A 56 16.542 -1.396 -18.417 1.00 0.00 H new ATOM 0 HG13 VAL A 56 16.068 -2.329 -16.978 1.00 0.00 H new ATOM 0 HG21 VAL A 56 17.914 -1.072 -15.034 1.00 0.00 H new ATOM 0 HG22 VAL A 56 17.690 -2.829 -15.212 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.326 -2.130 -15.266 1.00 0.00 H new ATOM 856 N ASN A 57 17.473 -4.411 -19.347 1.00 0.00 N ATOM 857 CA ASN A 57 17.079 -4.999 -20.638 1.00 0.00 C ATOM 858 C ASN A 57 18.269 -5.278 -21.585 1.00 0.00 C ATOM 859 O ASN A 57 18.653 -6.430 -21.780 1.00 0.00 O ATOM 860 CB ASN A 57 15.961 -4.170 -21.304 1.00 0.00 C ATOM 861 CG ASN A 57 14.697 -4.105 -20.464 1.00 0.00 C ATOM 862 OD1 ASN A 57 13.982 -5.082 -20.297 1.00 0.00 O ATOM 863 ND2 ASN A 57 14.389 -2.957 -19.906 1.00 0.00 N ATOM 0 H ASN A 57 17.124 -4.964 -18.564 1.00 0.00 H new ATOM 0 HA ASN A 57 16.671 -5.986 -20.420 1.00 0.00 H new ATOM 0 HB2 ASN A 57 16.324 -3.158 -21.485 1.00 0.00 H new ATOM 0 HB3 ASN A 57 15.724 -4.603 -22.276 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.550 -2.878 -19.331 1.00 0.00 H new ATOM 0 HD22 ASN A 57 14.988 -2.144 -20.048 1.00 0.00 H new ATOM 870 N GLN A 58 18.847 -4.216 -22.154 1.00 0.00 N ATOM 871 CA GLN A 58 19.987 -4.233 -23.084 1.00 0.00 C ATOM 872 C GLN A 58 20.967 -3.054 -22.883 1.00 0.00 C ATOM 873 O GLN A 58 21.889 -2.871 -23.678 1.00 0.00 O ATOM 874 CB GLN A 58 19.449 -4.304 -24.525 1.00 0.00 C ATOM 875 CG GLN A 58 18.528 -3.131 -24.908 1.00 0.00 C ATOM 876 CD GLN A 58 18.174 -3.152 -26.395 1.00 0.00 C ATOM 877 OE1 GLN A 58 18.718 -2.412 -27.205 1.00 0.00 O ATOM 878 NE2 GLN A 58 17.261 -4.003 -26.818 1.00 0.00 N ATOM 0 H GLN A 58 18.516 -3.269 -21.970 1.00 0.00 H new ATOM 0 HA GLN A 58 20.584 -5.120 -22.872 1.00 0.00 H new ATOM 0 HB2 GLN A 58 20.292 -4.331 -25.216 1.00 0.00 H new ATOM 0 HB3 GLN A 58 18.902 -5.238 -24.652 1.00 0.00 H new ATOM 0 HG2 GLN A 58 17.614 -3.178 -24.316 1.00 0.00 H new ATOM 0 HG3 GLN A 58 19.018 -2.189 -24.664 1.00 0.00 H new ATOM 0 HE21 GLN A 58 16.799 -4.626 -26.156 1.00 0.00 H new ATOM 0 HE22 GLN A 58 17.017 -4.039 -27.808 1.00 0.00 H new ATOM 887 N ASP A 59 20.780 -2.246 -21.831 1.00 0.00 N ATOM 888 CA ASP A 59 21.514 -0.993 -21.586 1.00 0.00 C ATOM 889 C ASP A 59 22.324 -1.064 -20.288 1.00 0.00 C ATOM 890 O ASP A 59 21.783 -1.414 -19.241 1.00 0.00 O ATOM 891 CB ASP A 59 20.520 0.177 -21.523 1.00 0.00 C ATOM 892 CG ASP A 59 19.929 0.509 -22.903 1.00 0.00 C ATOM 893 OD1 ASP A 59 20.675 1.035 -23.764 1.00 0.00 O ATOM 894 OD2 ASP A 59 18.717 0.274 -23.123 1.00 0.00 O ATOM 0 H ASP A 59 20.094 -2.450 -21.104 1.00 0.00 H new ATOM 0 HA ASP A 59 22.215 -0.839 -22.407 1.00 0.00 H new ATOM 0 HB2 ASP A 59 19.713 -0.070 -20.833 1.00 0.00 H new ATOM 0 HB3 ASP A 59 21.022 1.058 -21.123 1.00 0.00 H new ATOM 899 N VAL A 60 23.614 -0.712 -20.318 1.00 0.00 N ATOM 900 CA VAL A 60 24.437 -0.628 -19.094 1.00 0.00 C ATOM 901 C VAL A 60 24.054 0.592 -18.254 1.00 0.00 C ATOM 902 O VAL A 60 23.849 1.686 -18.782 1.00 0.00 O ATOM 903 CB VAL A 60 25.952 -0.698 -19.397 1.00 0.00 C ATOM 904 CG1 VAL A 60 26.460 0.419 -20.318 1.00 0.00 C ATOM 905 CG2 VAL A 60 26.788 -0.680 -18.111 1.00 0.00 C ATOM 0 H VAL A 60 24.116 -0.479 -21.175 1.00 0.00 H new ATOM 0 HA VAL A 60 24.219 -1.510 -18.491 1.00 0.00 H new ATOM 0 HB VAL A 60 26.077 -1.646 -19.921 1.00 0.00 H new ATOM 0 HG11 VAL A 60 27.531 0.298 -20.481 1.00 0.00 H new ATOM 0 HG12 VAL A 60 25.940 0.367 -21.274 1.00 0.00 H new ATOM 0 HG13 VAL A 60 26.271 1.387 -19.854 1.00 0.00 H new ATOM 0 HG21 VAL A 60 27.847 -0.731 -18.365 1.00 0.00 H new ATOM 0 HG22 VAL A 60 26.590 0.240 -17.561 1.00 0.00 H new ATOM 0 HG23 VAL A 60 26.522 -1.537 -17.492 1.00 0.00 H new ATOM 915 N ILE A 61 23.982 0.395 -16.933 1.00 0.00 N ATOM 916 CA ILE A 61 23.690 1.463 -15.960 1.00 0.00 C ATOM 917 C ILE A 61 24.690 1.545 -14.804 1.00 0.00 C ATOM 918 O ILE A 61 24.882 2.628 -14.253 1.00 0.00 O ATOM 919 CB ILE A 61 22.259 1.331 -15.407 1.00 0.00 C ATOM 920 CG1 ILE A 61 21.883 -0.098 -14.973 1.00 0.00 C ATOM 921 CG2 ILE A 61 21.244 1.885 -16.415 1.00 0.00 C ATOM 922 CD1 ILE A 61 20.713 -0.084 -13.989 1.00 0.00 C ATOM 0 H ILE A 61 24.126 -0.518 -16.501 1.00 0.00 H new ATOM 0 HA ILE A 61 23.786 2.394 -16.519 1.00 0.00 H new ATOM 0 HB ILE A 61 22.230 1.928 -14.495 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.618 -0.690 -15.849 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.745 -0.580 -14.511 1.00 0.00 H new ATOM 0 HG21 ILE A 61 20.237 1.785 -16.010 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.456 2.937 -16.604 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.317 1.327 -17.349 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.469 -1.106 -13.699 1.00 0.00 H new ATOM 0 HD12 ILE A 61 20.989 0.488 -13.103 1.00 0.00 H new ATOM 0 HD13 ILE A 61 19.845 0.376 -14.462 1.00 0.00 H new ATOM 934 N PHE A 62 25.341 0.435 -14.440 1.00 0.00 N ATOM 935 CA PHE A 62 26.381 0.418 -13.413 1.00 0.00 C ATOM 936 C PHE A 62 27.397 -0.695 -13.688 1.00 0.00 C ATOM 937 O PHE A 62 27.059 -1.744 -14.240 1.00 0.00 O ATOM 938 CB PHE A 62 25.740 0.309 -12.015 1.00 0.00 C ATOM 939 CG PHE A 62 26.746 0.076 -10.899 1.00 0.00 C ATOM 940 CD1 PHE A 62 26.913 -1.200 -10.324 1.00 0.00 C ATOM 941 CD2 PHE A 62 27.603 1.124 -10.513 1.00 0.00 C ATOM 942 CE1 PHE A 62 27.949 -1.436 -9.402 1.00 0.00 C ATOM 943 CE2 PHE A 62 28.627 0.893 -9.580 1.00 0.00 C ATOM 944 CZ PHE A 62 28.803 -0.387 -9.028 1.00 0.00 C ATOM 0 H PHE A 62 25.158 -0.480 -14.853 1.00 0.00 H new ATOM 0 HA PHE A 62 26.935 1.356 -13.442 1.00 0.00 H new ATOM 0 HB2 PHE A 62 25.185 1.224 -11.807 1.00 0.00 H new ATOM 0 HB3 PHE A 62 25.018 -0.508 -12.018 1.00 0.00 H new ATOM 0 HD1 PHE A 62 26.241 -2.002 -10.593 1.00 0.00 H new ATOM 0 HD2 PHE A 62 27.473 2.109 -10.936 1.00 0.00 H new ATOM 0 HE1 PHE A 62 28.087 -2.422 -8.983 1.00 0.00 H new ATOM 0 HE2 PHE A 62 29.281 1.701 -9.286 1.00 0.00 H new ATOM 0 HZ PHE A 62 29.596 -0.564 -8.316 1.00 0.00 H new ATOM 954 N GLN A 63 28.651 -0.456 -13.311 1.00 0.00 N ATOM 955 CA GLN A 63 29.743 -1.419 -13.447 1.00 0.00 C ATOM 956 C GLN A 63 30.881 -1.142 -12.449 1.00 0.00 C ATOM 957 O GLN A 63 31.152 0.008 -12.102 1.00 0.00 O ATOM 958 CB GLN A 63 30.231 -1.452 -14.909 1.00 0.00 C ATOM 959 CG GLN A 63 30.727 -0.109 -15.473 1.00 0.00 C ATOM 960 CD GLN A 63 31.068 -0.219 -16.959 1.00 0.00 C ATOM 961 OE1 GLN A 63 30.427 0.372 -17.818 1.00 0.00 O ATOM 962 NE2 GLN A 63 32.080 -0.979 -17.323 1.00 0.00 N ATOM 0 H GLN A 63 28.943 0.428 -12.895 1.00 0.00 H new ATOM 0 HA GLN A 63 29.367 -2.411 -13.196 1.00 0.00 H new ATOM 0 HB2 GLN A 63 31.039 -2.180 -14.988 1.00 0.00 H new ATOM 0 HB3 GLN A 63 29.416 -1.811 -15.538 1.00 0.00 H new ATOM 0 HG2 GLN A 63 29.961 0.653 -15.330 1.00 0.00 H new ATOM 0 HG3 GLN A 63 31.608 0.217 -14.919 1.00 0.00 H new ATOM 0 HE21 GLN A 63 32.623 -1.477 -16.618 1.00 0.00 H new ATOM 0 HE22 GLN A 63 32.321 -1.069 -18.310 1.00 0.00 H new ATOM 971 N THR A 64 31.548 -2.202 -11.984 1.00 0.00 N ATOM 972 CA THR A 64 32.624 -2.151 -10.975 1.00 0.00 C ATOM 973 C THR A 64 33.597 -3.331 -11.100 1.00 0.00 C ATOM 974 O THR A 64 33.247 -4.376 -11.650 1.00 0.00 O ATOM 975 CB THR A 64 32.018 -2.078 -9.565 1.00 0.00 C ATOM 976 OG1 THR A 64 33.043 -1.897 -8.612 1.00 0.00 O ATOM 977 CG2 THR A 64 31.205 -3.318 -9.174 1.00 0.00 C ATOM 0 H THR A 64 31.353 -3.150 -12.305 1.00 0.00 H new ATOM 0 HA THR A 64 33.208 -1.249 -11.157 1.00 0.00 H new ATOM 0 HB THR A 64 31.331 -1.232 -9.580 1.00 0.00 H new ATOM 0 HG1 THR A 64 32.651 -1.849 -7.715 1.00 0.00 H new ATOM 0 HG21 THR A 64 30.810 -3.191 -8.166 1.00 0.00 H new ATOM 0 HG22 THR A 64 30.379 -3.447 -9.874 1.00 0.00 H new ATOM 0 HG23 THR A 64 31.847 -4.198 -9.204 1.00 0.00 H new ATOM 985 N PHE A 65 34.820 -3.182 -10.591 1.00 0.00 N ATOM 986 CA PHE A 65 35.869 -4.202 -10.651 1.00 0.00 C ATOM 987 C PHE A 65 35.999 -4.937 -9.306 1.00 0.00 C ATOM 988 O PHE A 65 36.279 -4.323 -8.272 1.00 0.00 O ATOM 989 CB PHE A 65 37.171 -3.526 -11.112 1.00 0.00 C ATOM 990 CG PHE A 65 38.282 -4.457 -11.563 1.00 0.00 C ATOM 991 CD1 PHE A 65 38.024 -5.454 -12.522 1.00 0.00 C ATOM 992 CD2 PHE A 65 39.597 -4.270 -11.101 1.00 0.00 C ATOM 993 CE1 PHE A 65 39.058 -6.268 -13.008 1.00 0.00 C ATOM 994 CE2 PHE A 65 40.641 -5.070 -11.598 1.00 0.00 C ATOM 995 CZ PHE A 65 40.371 -6.069 -12.553 1.00 0.00 C ATOM 0 H PHE A 65 35.116 -2.330 -10.115 1.00 0.00 H new ATOM 0 HA PHE A 65 35.616 -4.976 -11.375 1.00 0.00 H new ATOM 0 HB2 PHE A 65 36.935 -2.850 -11.934 1.00 0.00 H new ATOM 0 HB3 PHE A 65 37.548 -2.913 -10.293 1.00 0.00 H new ATOM 0 HD1 PHE A 65 37.018 -5.594 -12.888 1.00 0.00 H new ATOM 0 HD2 PHE A 65 39.806 -3.510 -10.363 1.00 0.00 H new ATOM 0 HE1 PHE A 65 38.845 -7.044 -13.729 1.00 0.00 H new ATOM 0 HE2 PHE A 65 41.651 -4.918 -11.247 1.00 0.00 H new ATOM 0 HZ PHE A 65 41.174 -6.682 -12.935 1.00 0.00 H new ATOM 1005 N LEU A 66 35.771 -6.254 -9.312 1.00 0.00 N ATOM 1006 CA LEU A 66 35.847 -7.133 -8.143 1.00 0.00 C ATOM 1007 C LEU A 66 37.243 -7.749 -7.962 1.00 0.00 C ATOM 1008 O LEU A 66 37.923 -8.093 -8.932 1.00 0.00 O ATOM 1009 CB LEU A 66 34.788 -8.247 -8.240 1.00 0.00 C ATOM 1010 CG LEU A 66 33.373 -7.902 -7.767 1.00 0.00 C ATOM 1011 CD1 LEU A 66 32.522 -9.162 -7.904 1.00 0.00 C ATOM 1012 CD2 LEU A 66 33.310 -7.502 -6.291 1.00 0.00 C ATOM 0 H LEU A 66 35.519 -6.755 -10.164 1.00 0.00 H new ATOM 0 HA LEU A 66 35.648 -6.516 -7.267 1.00 0.00 H new ATOM 0 HB2 LEU A 66 34.729 -8.569 -9.280 1.00 0.00 H new ATOM 0 HB3 LEU A 66 35.140 -9.101 -7.661 1.00 0.00 H new ATOM 0 HG LEU A 66 33.027 -7.062 -8.369 1.00 0.00 H new ATOM 0 HD11 LEU A 66 31.505 -8.951 -7.575 1.00 0.00 H new ATOM 0 HD12 LEU A 66 32.508 -9.480 -8.947 1.00 0.00 H new ATOM 0 HD13 LEU A 66 32.946 -9.956 -7.289 1.00 0.00 H new ATOM 0 HD21 LEU A 66 32.280 -7.270 -6.020 1.00 0.00 H new ATOM 0 HD22 LEU A 66 33.670 -8.326 -5.675 1.00 0.00 H new ATOM 0 HD23 LEU A 66 33.935 -6.624 -6.125 1.00 0.00 H new ATOM 1024 N PHE A 67 37.610 -7.969 -6.695 1.00 0.00 N ATOM 1025 CA PHE A 67 38.871 -8.601 -6.276 1.00 0.00 C ATOM 1026 C PHE A 67 38.604 -9.847 -5.399 1.00 0.00 C ATOM 1027 O PHE A 67 37.827 -9.755 -4.447 1.00 0.00 O ATOM 1028 CB PHE A 67 39.732 -7.569 -5.524 1.00 0.00 C ATOM 1029 CG PHE A 67 40.211 -6.394 -6.360 1.00 0.00 C ATOM 1030 CD1 PHE A 67 39.385 -5.266 -6.543 1.00 0.00 C ATOM 1031 CD2 PHE A 67 41.499 -6.410 -6.929 1.00 0.00 C ATOM 1032 CE1 PHE A 67 39.839 -4.170 -7.297 1.00 0.00 C ATOM 1033 CE2 PHE A 67 41.957 -5.308 -7.675 1.00 0.00 C ATOM 1034 CZ PHE A 67 41.127 -4.189 -7.860 1.00 0.00 C ATOM 0 H PHE A 67 37.020 -7.705 -5.906 1.00 0.00 H new ATOM 0 HA PHE A 67 39.411 -8.939 -7.160 1.00 0.00 H new ATOM 0 HB2 PHE A 67 39.157 -7.184 -4.682 1.00 0.00 H new ATOM 0 HB3 PHE A 67 40.602 -8.078 -5.110 1.00 0.00 H new ATOM 0 HD1 PHE A 67 38.399 -5.244 -6.102 1.00 0.00 H new ATOM 0 HD2 PHE A 67 42.137 -7.270 -6.793 1.00 0.00 H new ATOM 0 HE1 PHE A 67 39.198 -3.313 -7.444 1.00 0.00 H new ATOM 0 HE2 PHE A 67 42.947 -5.322 -8.106 1.00 0.00 H new ATOM 0 HZ PHE A 67 41.478 -3.344 -8.434 1.00 0.00 H new ATOM 1044 N PRO A 68 39.241 -11.005 -5.680 1.00 0.00 N ATOM 1045 CA PRO A 68 39.018 -12.265 -4.957 1.00 0.00 C ATOM 1046 C PRO A 68 39.790 -12.359 -3.627 1.00 0.00 C ATOM 1047 O PRO A 68 39.319 -12.993 -2.682 1.00 0.00 O ATOM 1048 CB PRO A 68 39.464 -13.355 -5.940 1.00 0.00 C ATOM 1049 CG PRO A 68 40.587 -12.673 -6.721 1.00 0.00 C ATOM 1050 CD PRO A 68 40.092 -11.241 -6.838 1.00 0.00 C ATOM 0 HA PRO A 68 37.974 -12.360 -4.659 1.00 0.00 H new ATOM 0 HB2 PRO A 68 39.816 -14.247 -5.422 1.00 0.00 H new ATOM 0 HB3 PRO A 68 38.649 -13.667 -6.594 1.00 0.00 H new ATOM 0 HG2 PRO A 68 41.539 -12.730 -6.194 1.00 0.00 H new ATOM 0 HG3 PRO A 68 40.736 -13.131 -7.699 1.00 0.00 H new ATOM 0 HD2 PRO A 68 40.928 -10.541 -6.855 1.00 0.00 H new ATOM 0 HD3 PRO A 68 39.536 -11.097 -7.764 1.00 0.00 H new ATOM 1058 N LEU A 69 40.971 -11.725 -3.541 1.00 0.00 N ATOM 1059 CA LEU A 69 41.841 -11.739 -2.354 1.00 0.00 C ATOM 1060 C LEU A 69 41.386 -10.731 -1.277 1.00 0.00 C ATOM 1061 O LEU A 69 41.656 -10.915 -0.089 1.00 0.00 O ATOM 1062 CB LEU A 69 43.282 -11.469 -2.839 1.00 0.00 C ATOM 1063 CG LEU A 69 44.387 -11.549 -1.764 1.00 0.00 C ATOM 1064 CD1 LEU A 69 44.487 -12.936 -1.128 1.00 0.00 C ATOM 1065 CD2 LEU A 69 45.738 -11.222 -2.402 1.00 0.00 C ATOM 0 H LEU A 69 41.355 -11.177 -4.311 1.00 0.00 H new ATOM 0 HA LEU A 69 41.786 -12.711 -1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 69 43.518 -12.184 -3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 69 43.312 -10.477 -3.289 1.00 0.00 H new ATOM 0 HG LEU A 69 44.127 -10.833 -0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 69 45.279 -12.937 -0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 69 43.539 -13.188 -0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 69 44.714 -13.674 -1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 69 46.521 -11.278 -1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 69 45.949 -11.939 -3.195 1.00 0.00 H new ATOM 0 HD23 LEU A 69 45.709 -10.216 -2.820 1.00 0.00 H new ATOM 1077 N LYS A 70 40.688 -9.667 -1.699 1.00 0.00 N ATOM 1078 CA LYS A 70 40.200 -8.568 -0.843 1.00 0.00 C ATOM 1079 C LYS A 70 38.820 -8.893 -0.239 1.00 0.00 C ATOM 1080 O LYS A 70 38.011 -9.583 -0.859 1.00 0.00 O ATOM 1081 CB LYS A 70 40.204 -7.269 -1.681 1.00 0.00 C ATOM 1082 CG LYS A 70 40.186 -5.957 -0.880 1.00 0.00 C ATOM 1083 CD LYS A 70 41.506 -5.674 -0.141 1.00 0.00 C ATOM 1084 CE LYS A 70 41.447 -4.293 0.525 1.00 0.00 C ATOM 1085 NZ LYS A 70 42.722 -3.957 1.222 1.00 0.00 N ATOM 0 H LYS A 70 40.437 -9.540 -2.680 1.00 0.00 H new ATOM 0 HA LYS A 70 40.860 -8.433 0.014 1.00 0.00 H new ATOM 0 HB2 LYS A 70 41.089 -7.272 -2.317 1.00 0.00 H new ATOM 0 HB3 LYS A 70 39.337 -7.282 -2.341 1.00 0.00 H new ATOM 0 HG2 LYS A 70 39.973 -5.130 -1.557 1.00 0.00 H new ATOM 0 HG3 LYS A 70 39.373 -5.994 -0.155 1.00 0.00 H new ATOM 0 HD2 LYS A 70 41.684 -6.443 0.611 1.00 0.00 H new ATOM 0 HD3 LYS A 70 42.340 -5.714 -0.841 1.00 0.00 H new ATOM 0 HE2 LYS A 70 41.235 -3.535 -0.229 1.00 0.00 H new ATOM 0 HE3 LYS A 70 40.625 -4.270 1.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 42.641 -3.017 1.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 42.912 -4.666 1.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 43.503 -3.954 0.535 1.00 0.00 H new ATOM 1099 N ARG A 71 38.526 -8.351 0.952 1.00 0.00 N ATOM 1100 CA ARG A 71 37.282 -8.599 1.724 1.00 0.00 C ATOM 1101 C ARG A 71 36.192 -7.526 1.552 1.00 0.00 C ATOM 1102 O ARG A 71 35.247 -7.465 2.338 1.00 0.00 O ATOM 1103 CB ARG A 71 37.637 -8.891 3.198 1.00 0.00 C ATOM 1104 CG ARG A 71 38.465 -10.182 3.335 1.00 0.00 C ATOM 1105 CD ARG A 71 38.721 -10.562 4.800 1.00 0.00 C ATOM 1106 NE ARG A 71 39.594 -9.588 5.488 1.00 0.00 N ATOM 1107 CZ ARG A 71 40.916 -9.575 5.527 1.00 0.00 C ATOM 1108 NH1 ARG A 71 41.642 -10.456 4.895 1.00 0.00 N ATOM 1109 NH2 ARG A 71 41.544 -8.662 6.210 1.00 0.00 N ATOM 0 H ARG A 71 39.161 -7.708 1.425 1.00 0.00 H new ATOM 0 HA ARG A 71 36.810 -9.485 1.300 1.00 0.00 H new ATOM 0 HB2 ARG A 71 38.198 -8.053 3.611 1.00 0.00 H new ATOM 0 HB3 ARG A 71 36.722 -8.981 3.783 1.00 0.00 H new ATOM 0 HG2 ARG A 71 37.943 -10.999 2.837 1.00 0.00 H new ATOM 0 HG3 ARG A 71 39.419 -10.054 2.824 1.00 0.00 H new ATOM 0 HD2 ARG A 71 37.769 -10.629 5.327 1.00 0.00 H new ATOM 0 HD3 ARG A 71 39.179 -11.550 4.842 1.00 0.00 H new ATOM 0 HE ARG A 71 39.121 -8.838 5.992 1.00 0.00 H new ATOM 0 HH11 ARG A 71 41.192 -11.188 4.346 1.00 0.00 H new ATOM 0 HH12 ARG A 71 42.660 -10.412 4.950 1.00 0.00 H new ATOM 0 HH21 ARG A 71 41.016 -7.952 6.718 1.00 0.00 H new ATOM 0 HH22 ARG A 71 42.564 -8.656 6.237 1.00 0.00 H new ATOM 1123 N ASP A 72 36.287 -6.694 0.512 1.00 0.00 N ATOM 1124 CA ASP A 72 35.279 -5.664 0.197 1.00 0.00 C ATOM 1125 C ASP A 72 34.148 -6.151 -0.729 1.00 0.00 C ATOM 1126 O ASP A 72 33.188 -5.414 -0.931 1.00 0.00 O ATOM 1127 CB ASP A 72 35.932 -4.377 -0.327 1.00 0.00 C ATOM 1128 CG ASP A 72 36.878 -3.727 0.699 1.00 0.00 C ATOM 1129 OD1 ASP A 72 38.060 -3.481 0.365 1.00 0.00 O ATOM 1130 OD2 ASP A 72 36.433 -3.433 1.836 1.00 0.00 O ATOM 0 H ASP A 72 37.069 -6.712 -0.143 1.00 0.00 H new ATOM 0 HA ASP A 72 34.792 -5.435 1.145 1.00 0.00 H new ATOM 0 HB2 ASP A 72 36.489 -4.602 -1.236 1.00 0.00 H new ATOM 0 HB3 ASP A 72 35.153 -3.664 -0.599 1.00 0.00 H new ATOM 1135 N PHE A 73 34.195 -7.392 -1.238 1.00 0.00 N ATOM 1136 CA PHE A 73 33.164 -7.982 -2.118 1.00 0.00 C ATOM 1137 C PHE A 73 31.732 -7.767 -1.601 1.00 0.00 C ATOM 1138 O PHE A 73 30.866 -7.328 -2.352 1.00 0.00 O ATOM 1139 CB PHE A 73 33.483 -9.481 -2.314 1.00 0.00 C ATOM 1140 CG PHE A 73 32.346 -10.328 -2.868 1.00 0.00 C ATOM 1141 CD1 PHE A 73 32.291 -10.640 -4.242 1.00 0.00 C ATOM 1142 CD2 PHE A 73 31.338 -10.808 -2.006 1.00 0.00 C ATOM 1143 CE1 PHE A 73 31.210 -11.380 -4.757 1.00 0.00 C ATOM 1144 CE2 PHE A 73 30.253 -11.533 -2.521 1.00 0.00 C ATOM 1145 CZ PHE A 73 30.184 -11.806 -3.894 1.00 0.00 C ATOM 0 H PHE A 73 34.967 -8.031 -1.047 1.00 0.00 H new ATOM 0 HA PHE A 73 33.197 -7.467 -3.078 1.00 0.00 H new ATOM 0 HB2 PHE A 73 34.337 -9.568 -2.985 1.00 0.00 H new ATOM 0 HB3 PHE A 73 33.788 -9.898 -1.354 1.00 0.00 H new ATOM 0 HD1 PHE A 73 33.080 -10.310 -4.901 1.00 0.00 H new ATOM 0 HD2 PHE A 73 31.402 -10.617 -0.945 1.00 0.00 H new ATOM 0 HE1 PHE A 73 31.169 -11.619 -5.809 1.00 0.00 H new ATOM 0 HE2 PHE A 73 29.472 -11.880 -1.861 1.00 0.00 H new ATOM 0 HZ PHE A 73 29.338 -12.347 -4.292 1.00 0.00 H new ATOM 1155 N GLU A 74 31.488 -7.994 -0.305 1.00 0.00 N ATOM 1156 CA GLU A 74 30.153 -7.832 0.297 1.00 0.00 C ATOM 1157 C GLU A 74 29.670 -6.378 0.216 1.00 0.00 C ATOM 1158 O GLU A 74 28.519 -6.098 -0.116 1.00 0.00 O ATOM 1159 CB GLU A 74 30.220 -8.287 1.761 1.00 0.00 C ATOM 1160 CG GLU A 74 28.834 -8.595 2.332 1.00 0.00 C ATOM 1161 CD GLU A 74 28.935 -9.045 3.803 1.00 0.00 C ATOM 1162 OE1 GLU A 74 28.810 -10.264 4.080 1.00 0.00 O ATOM 1163 OE2 GLU A 74 29.138 -8.184 4.692 1.00 0.00 O ATOM 0 H GLU A 74 32.205 -8.294 0.356 1.00 0.00 H new ATOM 0 HA GLU A 74 29.439 -8.441 -0.257 1.00 0.00 H new ATOM 0 HB2 GLU A 74 30.848 -9.175 1.836 1.00 0.00 H new ATOM 0 HB3 GLU A 74 30.694 -7.510 2.360 1.00 0.00 H new ATOM 0 HG2 GLU A 74 28.202 -7.710 2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 74 28.357 -9.376 1.740 1.00 0.00 H new ATOM 1170 N LYS A 75 30.596 -5.443 0.446 1.00 0.00 N ATOM 1171 CA LYS A 75 30.349 -3.999 0.400 1.00 0.00 C ATOM 1172 C LYS A 75 30.091 -3.544 -1.038 1.00 0.00 C ATOM 1173 O LYS A 75 29.107 -2.854 -1.287 1.00 0.00 O ATOM 1174 CB LYS A 75 31.506 -3.237 1.084 1.00 0.00 C ATOM 1175 CG LYS A 75 31.647 -3.633 2.571 1.00 0.00 C ATOM 1176 CD LYS A 75 32.755 -4.675 2.816 1.00 0.00 C ATOM 1177 CE LYS A 75 32.553 -5.426 4.138 1.00 0.00 C ATOM 1178 NZ LYS A 75 33.765 -6.213 4.518 1.00 0.00 N ATOM 0 H LYS A 75 31.562 -5.675 0.675 1.00 0.00 H new ATOM 0 HA LYS A 75 29.445 -3.764 0.962 1.00 0.00 H new ATOM 0 HB2 LYS A 75 32.439 -3.446 0.561 1.00 0.00 H new ATOM 0 HB3 LYS A 75 31.331 -2.164 1.008 1.00 0.00 H new ATOM 0 HG2 LYS A 75 31.859 -2.741 3.160 1.00 0.00 H new ATOM 0 HG3 LYS A 75 30.697 -4.031 2.927 1.00 0.00 H new ATOM 0 HD2 LYS A 75 32.771 -5.388 1.992 1.00 0.00 H new ATOM 0 HD3 LYS A 75 33.725 -4.178 2.826 1.00 0.00 H new ATOM 0 HE2 LYS A 75 32.319 -4.714 4.929 1.00 0.00 H new ATOM 0 HE3 LYS A 75 31.698 -6.096 4.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 33.491 -6.984 5.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 34.202 -6.613 3.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 34.447 -5.591 4.996 1.00 0.00 H new ATOM 1192 N THR A 76 30.872 -4.038 -1.999 1.00 0.00 N ATOM 1193 CA THR A 76 30.649 -3.839 -3.445 1.00 0.00 C ATOM 1194 C THR A 76 29.287 -4.374 -3.899 1.00 0.00 C ATOM 1195 O THR A 76 28.580 -3.681 -4.627 1.00 0.00 O ATOM 1196 CB THR A 76 31.792 -4.480 -4.253 1.00 0.00 C ATOM 1197 OG1 THR A 76 33.002 -3.849 -3.886 1.00 0.00 O ATOM 1198 CG2 THR A 76 31.635 -4.309 -5.765 1.00 0.00 C ATOM 0 H THR A 76 31.698 -4.601 -1.797 1.00 0.00 H new ATOM 0 HA THR A 76 30.644 -2.765 -3.634 1.00 0.00 H new ATOM 0 HB THR A 76 31.780 -5.547 -4.030 1.00 0.00 H new ATOM 0 HG1 THR A 76 33.743 -4.245 -4.390 1.00 0.00 H new ATOM 0 HG21 THR A 76 32.474 -4.784 -6.274 1.00 0.00 H new ATOM 0 HG22 THR A 76 30.704 -4.774 -6.089 1.00 0.00 H new ATOM 0 HG23 THR A 76 31.615 -3.247 -6.011 1.00 0.00 H new ATOM 1206 N VAL A 77 28.860 -5.549 -3.418 1.00 0.00 N ATOM 1207 CA VAL A 77 27.523 -6.111 -3.696 1.00 0.00 C ATOM 1208 C VAL A 77 26.431 -5.190 -3.155 1.00 0.00 C ATOM 1209 O VAL A 77 25.564 -4.777 -3.920 1.00 0.00 O ATOM 1210 CB VAL A 77 27.376 -7.542 -3.130 1.00 0.00 C ATOM 1211 CG1 VAL A 77 25.919 -8.023 -3.106 1.00 0.00 C ATOM 1212 CG2 VAL A 77 28.164 -8.545 -3.978 1.00 0.00 C ATOM 0 H VAL A 77 29.434 -6.144 -2.820 1.00 0.00 H new ATOM 0 HA VAL A 77 27.409 -6.180 -4.778 1.00 0.00 H new ATOM 0 HB VAL A 77 27.759 -7.494 -2.111 1.00 0.00 H new ATOM 0 HG11 VAL A 77 25.876 -9.033 -2.699 1.00 0.00 H new ATOM 0 HG12 VAL A 77 25.326 -7.355 -2.482 1.00 0.00 H new ATOM 0 HG13 VAL A 77 25.519 -8.023 -4.120 1.00 0.00 H new ATOM 0 HG21 VAL A 77 28.046 -9.545 -3.561 1.00 0.00 H new ATOM 0 HG22 VAL A 77 27.788 -8.531 -5.001 1.00 0.00 H new ATOM 0 HG23 VAL A 77 29.220 -8.273 -3.976 1.00 0.00 H new ATOM 1222 N VAL A 78 26.482 -4.812 -1.872 1.00 0.00 N ATOM 1223 CA VAL A 78 25.454 -3.958 -1.240 1.00 0.00 C ATOM 1224 C VAL A 78 25.394 -2.581 -1.908 1.00 0.00 C ATOM 1225 O VAL A 78 24.311 -2.053 -2.156 1.00 0.00 O ATOM 1226 CB VAL A 78 25.706 -3.836 0.277 1.00 0.00 C ATOM 1227 CG1 VAL A 78 24.791 -2.812 0.964 1.00 0.00 C ATOM 1228 CG2 VAL A 78 25.455 -5.185 0.959 1.00 0.00 C ATOM 0 H VAL A 78 27.233 -5.086 -1.239 1.00 0.00 H new ATOM 0 HA VAL A 78 24.483 -4.432 -1.382 1.00 0.00 H new ATOM 0 HB VAL A 78 26.741 -3.508 0.379 1.00 0.00 H new ATOM 0 HG11 VAL A 78 25.020 -2.776 2.029 1.00 0.00 H new ATOM 0 HG12 VAL A 78 24.952 -1.828 0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 78 23.750 -3.105 0.827 1.00 0.00 H new ATOM 0 HG21 VAL A 78 25.635 -5.090 2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 78 24.423 -5.491 0.790 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.128 -5.934 0.543 1.00 0.00 H new ATOM 1238 N ALA A 79 26.546 -2.027 -2.281 1.00 0.00 N ATOM 1239 CA ALA A 79 26.635 -0.724 -2.929 1.00 0.00 C ATOM 1240 C ALA A 79 26.102 -0.754 -4.369 1.00 0.00 C ATOM 1241 O ALA A 79 25.535 0.231 -4.841 1.00 0.00 O ATOM 1242 CB ALA A 79 28.100 -0.291 -2.865 1.00 0.00 C ATOM 0 H ALA A 79 27.451 -2.476 -2.140 1.00 0.00 H new ATOM 0 HA ALA A 79 26.004 -0.001 -2.411 1.00 0.00 H new ATOM 0 HB1 ALA A 79 28.213 0.683 -3.341 1.00 0.00 H new ATOM 0 HB2 ALA A 79 28.415 -0.225 -1.824 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.719 -1.022 -3.385 1.00 0.00 H new ATOM 1248 N ALA A 80 26.243 -1.871 -5.086 1.00 0.00 N ATOM 1249 CA ALA A 80 25.687 -2.031 -6.429 1.00 0.00 C ATOM 1250 C ALA A 80 24.151 -2.000 -6.430 1.00 0.00 C ATOM 1251 O ALA A 80 23.562 -1.550 -7.407 1.00 0.00 O ATOM 1252 CB ALA A 80 26.210 -3.344 -7.018 1.00 0.00 C ATOM 0 H ALA A 80 26.747 -2.691 -4.750 1.00 0.00 H new ATOM 0 HA ALA A 80 26.008 -1.191 -7.044 1.00 0.00 H new ATOM 0 HB1 ALA A 80 25.805 -3.480 -8.021 1.00 0.00 H new ATOM 0 HB2 ALA A 80 27.298 -3.313 -7.068 1.00 0.00 H new ATOM 0 HB3 ALA A 80 25.899 -4.176 -6.386 1.00 0.00 H new ATOM 1258 N LEU A 81 23.497 -2.396 -5.332 1.00 0.00 N ATOM 1259 CA LEU A 81 22.029 -2.370 -5.212 1.00 0.00 C ATOM 1260 C LEU A 81 21.511 -0.925 -5.325 1.00 0.00 C ATOM 1261 O LEU A 81 20.640 -0.622 -6.137 1.00 0.00 O ATOM 1262 CB LEU A 81 21.574 -2.981 -3.867 1.00 0.00 C ATOM 1263 CG LEU A 81 22.165 -4.345 -3.482 1.00 0.00 C ATOM 1264 CD1 LEU A 81 21.769 -4.702 -2.054 1.00 0.00 C ATOM 1265 CD2 LEU A 81 21.721 -5.483 -4.396 1.00 0.00 C ATOM 0 H LEU A 81 23.969 -2.745 -4.498 1.00 0.00 H new ATOM 0 HA LEU A 81 21.614 -2.967 -6.024 1.00 0.00 H new ATOM 0 HB2 LEU A 81 21.815 -2.272 -3.075 1.00 0.00 H new ATOM 0 HB3 LEU A 81 20.488 -3.077 -3.889 1.00 0.00 H new ATOM 0 HG LEU A 81 23.245 -4.239 -3.582 1.00 0.00 H new ATOM 0 HD11 LEU A 81 22.193 -5.671 -1.790 1.00 0.00 H new ATOM 0 HD12 LEU A 81 22.148 -3.942 -1.371 1.00 0.00 H new ATOM 0 HD13 LEU A 81 20.683 -4.749 -1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 81 22.177 -6.416 -4.064 1.00 0.00 H new ATOM 0 HD22 LEU A 81 20.636 -5.577 -4.359 1.00 0.00 H new ATOM 0 HD23 LEU A 81 22.032 -5.271 -5.419 1.00 0.00 H new ATOM 1277 N ILE A 82 22.128 -0.019 -4.555 1.00 0.00 N ATOM 1278 CA ILE A 82 21.804 1.416 -4.549 1.00 0.00 C ATOM 1279 C ILE A 82 22.211 2.050 -5.886 1.00 0.00 C ATOM 1280 O ILE A 82 21.419 2.743 -6.515 1.00 0.00 O ATOM 1281 CB ILE A 82 22.467 2.120 -3.337 1.00 0.00 C ATOM 1282 CG1 ILE A 82 21.990 1.488 -2.005 1.00 0.00 C ATOM 1283 CG2 ILE A 82 22.155 3.629 -3.356 1.00 0.00 C ATOM 1284 CD1 ILE A 82 22.719 2.009 -0.759 1.00 0.00 C ATOM 0 H ILE A 82 22.878 -0.265 -3.909 1.00 0.00 H new ATOM 0 HA ILE A 82 20.727 1.544 -4.439 1.00 0.00 H new ATOM 0 HB ILE A 82 23.546 1.985 -3.412 1.00 0.00 H new ATOM 0 HG12 ILE A 82 20.922 1.674 -1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 82 22.121 0.407 -2.062 1.00 0.00 H new ATOM 0 HG21 ILE A 82 22.627 4.109 -2.499 1.00 0.00 H new ATOM 0 HG22 ILE A 82 22.540 4.069 -4.276 1.00 0.00 H new ATOM 0 HG23 ILE A 82 21.076 3.778 -3.307 1.00 0.00 H new ATOM 0 HD11 ILE A 82 22.323 1.514 0.128 1.00 0.00 H new ATOM 0 HD12 ILE A 82 23.785 1.799 -0.847 1.00 0.00 H new ATOM 0 HD13 ILE A 82 22.568 3.085 -0.672 1.00 0.00 H new ATOM 1296 N GLN A 83 23.419 1.768 -6.379 1.00 0.00 N ATOM 1297 CA GLN A 83 23.925 2.377 -7.620 1.00 0.00 C ATOM 1298 C GLN A 83 23.150 1.926 -8.872 1.00 0.00 C ATOM 1299 O GLN A 83 23.052 2.677 -9.842 1.00 0.00 O ATOM 1300 CB GLN A 83 25.428 2.094 -7.749 1.00 0.00 C ATOM 1301 CG GLN A 83 26.210 2.868 -6.676 1.00 0.00 C ATOM 1302 CD GLN A 83 27.680 2.466 -6.626 1.00 0.00 C ATOM 1303 OE1 GLN A 83 27.979 1.300 -6.094 1.00 0.00 O flip ATOM 1304 NE2 GLN A 83 28.572 3.188 -7.050 1.00 0.00 N flip ATOM 0 H GLN A 83 24.071 1.119 -5.938 1.00 0.00 H new ATOM 0 HA GLN A 83 23.765 3.453 -7.555 1.00 0.00 H new ATOM 0 HB2 GLN A 83 25.614 1.025 -7.644 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.776 2.382 -8.741 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.135 3.937 -6.876 1.00 0.00 H new ATOM 0 HG3 GLN A 83 25.755 2.693 -5.701 1.00 0.00 H new ATOM 0 HE21 GLN A 83 28.343 4.092 -7.463 1.00 0.00 H new ATOM 0 HE22 GLN A 83 29.544 2.886 -6.991 1.00 0.00 H new ATOM 1313 N THR A 84 22.530 0.742 -8.829 1.00 0.00 N ATOM 1314 CA THR A 84 21.602 0.269 -9.867 1.00 0.00 C ATOM 1315 C THR A 84 20.335 1.125 -9.917 1.00 0.00 C ATOM 1316 O THR A 84 19.946 1.553 -11.001 1.00 0.00 O ATOM 1317 CB THR A 84 21.239 -1.204 -9.642 1.00 0.00 C ATOM 1318 OG1 THR A 84 22.396 -1.995 -9.772 1.00 0.00 O ATOM 1319 CG2 THR A 84 20.269 -1.760 -10.669 1.00 0.00 C ATOM 0 H THR A 84 22.658 0.077 -8.066 1.00 0.00 H new ATOM 0 HA THR A 84 22.110 0.362 -10.827 1.00 0.00 H new ATOM 0 HB THR A 84 20.785 -1.239 -8.652 1.00 0.00 H new ATOM 0 HG1 THR A 84 22.885 -2.001 -8.923 1.00 0.00 H new ATOM 0 HG21 THR A 84 20.060 -2.806 -10.444 1.00 0.00 H new ATOM 0 HG22 THR A 84 19.340 -1.190 -10.638 1.00 0.00 H new ATOM 0 HG23 THR A 84 20.709 -1.684 -11.663 1.00 0.00 H new ATOM 1327 N GLU A 85 19.702 1.440 -8.779 1.00 0.00 N ATOM 1328 CA GLU A 85 18.521 2.316 -8.803 1.00 0.00 C ATOM 1329 C GLU A 85 18.897 3.779 -9.061 1.00 0.00 C ATOM 1330 O GLU A 85 18.150 4.476 -9.735 1.00 0.00 O ATOM 1331 CB GLU A 85 17.639 2.163 -7.554 1.00 0.00 C ATOM 1332 CG GLU A 85 18.275 2.612 -6.235 1.00 0.00 C ATOM 1333 CD GLU A 85 17.197 2.935 -5.183 1.00 0.00 C ATOM 1334 OE1 GLU A 85 16.790 2.025 -4.420 1.00 0.00 O ATOM 1335 OE2 GLU A 85 16.763 4.113 -5.107 1.00 0.00 O ATOM 0 H GLU A 85 19.977 1.112 -7.853 1.00 0.00 H new ATOM 0 HA GLU A 85 17.915 1.985 -9.647 1.00 0.00 H new ATOM 0 HB2 GLU A 85 16.722 2.732 -7.707 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.352 1.116 -7.460 1.00 0.00 H new ATOM 0 HG2 GLU A 85 18.932 1.828 -5.859 1.00 0.00 H new ATOM 0 HG3 GLU A 85 18.895 3.492 -6.407 1.00 0.00 H new ATOM 1342 N GLU A 86 20.073 4.248 -8.631 1.00 0.00 N ATOM 1343 CA GLU A 86 20.499 5.643 -8.816 1.00 0.00 C ATOM 1344 C GLU A 86 20.646 6.054 -10.286 1.00 0.00 C ATOM 1345 O GLU A 86 20.375 7.206 -10.627 1.00 0.00 O ATOM 1346 CB GLU A 86 21.795 5.898 -8.043 1.00 0.00 C ATOM 1347 CG GLU A 86 21.517 6.005 -6.542 1.00 0.00 C ATOM 1348 CD GLU A 86 20.964 7.401 -6.189 1.00 0.00 C ATOM 1349 OE1 GLU A 86 21.761 8.289 -5.799 1.00 0.00 O ATOM 1350 OE2 GLU A 86 19.735 7.617 -6.331 1.00 0.00 O ATOM 0 H GLU A 86 20.759 3.671 -8.144 1.00 0.00 H new ATOM 0 HA GLU A 86 19.702 6.270 -8.416 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.501 5.089 -8.230 1.00 0.00 H new ATOM 0 HB3 GLU A 86 22.261 6.817 -8.398 1.00 0.00 H new ATOM 0 HG2 GLU A 86 20.801 5.239 -6.244 1.00 0.00 H new ATOM 0 HG3 GLU A 86 22.434 5.819 -5.983 1.00 0.00 H new ATOM 1357 N ALA A 87 20.968 5.106 -11.172 1.00 0.00 N ATOM 1358 CA ALA A 87 20.899 5.315 -12.616 1.00 0.00 C ATOM 1359 C ALA A 87 19.460 5.582 -13.085 1.00 0.00 C ATOM 1360 O ALA A 87 19.214 6.489 -13.873 1.00 0.00 O ATOM 1361 CB ALA A 87 21.457 4.068 -13.306 1.00 0.00 C ATOM 0 H ALA A 87 21.283 4.173 -10.905 1.00 0.00 H new ATOM 0 HA ALA A 87 21.487 6.195 -12.877 1.00 0.00 H new ATOM 0 HB1 ALA A 87 21.416 4.201 -14.387 1.00 0.00 H new ATOM 0 HB2 ALA A 87 22.491 3.914 -12.999 1.00 0.00 H new ATOM 0 HB3 ALA A 87 20.862 3.199 -13.024 1.00 0.00 H new ATOM 1367 N LEU A 88 18.491 4.808 -12.584 1.00 0.00 N ATOM 1368 CA LEU A 88 17.083 4.854 -13.000 1.00 0.00 C ATOM 1369 C LEU A 88 16.308 5.974 -12.295 1.00 0.00 C ATOM 1370 O LEU A 88 15.333 6.496 -12.834 1.00 0.00 O ATOM 1371 CB LEU A 88 16.443 3.476 -12.750 1.00 0.00 C ATOM 1372 CG LEU A 88 17.195 2.258 -13.316 1.00 0.00 C ATOM 1373 CD1 LEU A 88 16.368 1.013 -13.072 1.00 0.00 C ATOM 1374 CD2 LEU A 88 17.452 2.382 -14.812 1.00 0.00 C ATOM 0 H LEU A 88 18.668 4.113 -11.858 1.00 0.00 H new ATOM 0 HA LEU A 88 17.039 5.084 -14.064 1.00 0.00 H new ATOM 0 HB2 LEU A 88 16.334 3.340 -11.674 1.00 0.00 H new ATOM 0 HB3 LEU A 88 15.439 3.484 -13.173 1.00 0.00 H new ATOM 0 HG LEU A 88 18.159 2.202 -12.811 1.00 0.00 H new ATOM 0 HD11 LEU A 88 16.892 0.144 -13.470 1.00 0.00 H new ATOM 0 HD12 LEU A 88 16.212 0.884 -12.001 1.00 0.00 H new ATOM 0 HD13 LEU A 88 15.403 1.114 -13.570 1.00 0.00 H new ATOM 0 HD21 LEU A 88 17.985 1.499 -15.164 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.501 2.466 -15.339 1.00 0.00 H new ATOM 0 HD23 LEU A 88 18.054 3.270 -15.005 1.00 0.00 H new ATOM 1386 N ASN A 89 16.790 6.409 -11.133 1.00 0.00 N ATOM 1387 CA ASN A 89 16.221 7.464 -10.297 1.00 0.00 C ATOM 1388 C ASN A 89 16.160 8.818 -11.008 1.00 0.00 C ATOM 1389 O ASN A 89 15.217 9.576 -10.805 1.00 0.00 O ATOM 1390 CB ASN A 89 17.014 7.521 -8.975 1.00 0.00 C ATOM 1391 CG ASN A 89 16.536 6.515 -7.927 1.00 0.00 C ATOM 1392 OD1 ASN A 89 15.450 5.959 -7.991 1.00 0.00 O ATOM 1393 ND2 ASN A 89 17.315 6.272 -6.906 1.00 0.00 N ATOM 0 H ASN A 89 17.637 6.012 -10.726 1.00 0.00 H new ATOM 0 HA ASN A 89 15.180 7.223 -10.080 1.00 0.00 H new ATOM 0 HB2 ASN A 89 18.068 7.339 -9.186 1.00 0.00 H new ATOM 0 HB3 ASN A 89 16.940 8.526 -8.561 1.00 0.00 H new ATOM 0 HD21 ASN A 89 17.013 5.626 -6.177 1.00 0.00 H new ATOM 0 HD22 ASN A 89 18.225 6.729 -6.839 1.00 0.00 H new ATOM 1400 N ARG A 90 17.108 9.091 -11.912 1.00 0.00 N ATOM 1401 CA ARG A 90 17.127 10.293 -12.781 1.00 0.00 C ATOM 1402 C ARG A 90 16.520 10.063 -14.178 1.00 0.00 C ATOM 1403 O ARG A 90 16.221 11.029 -14.875 1.00 0.00 O ATOM 1404 CB ARG A 90 18.574 10.819 -12.894 1.00 0.00 C ATOM 1405 CG ARG A 90 19.061 11.676 -11.711 1.00 0.00 C ATOM 1406 CD ARG A 90 19.032 10.969 -10.350 1.00 0.00 C ATOM 1407 NE ARG A 90 19.761 11.740 -9.321 1.00 0.00 N ATOM 1408 CZ ARG A 90 19.322 12.749 -8.584 1.00 0.00 C ATOM 1409 NH1 ARG A 90 18.112 13.225 -8.692 1.00 0.00 N ATOM 1410 NH2 ARG A 90 20.109 13.309 -7.712 1.00 0.00 N ATOM 0 H ARG A 90 17.905 8.474 -12.070 1.00 0.00 H new ATOM 0 HA ARG A 90 16.488 11.038 -12.306 1.00 0.00 H new ATOM 0 HB2 ARG A 90 19.245 9.967 -13.003 1.00 0.00 H new ATOM 0 HB3 ARG A 90 18.658 11.409 -13.807 1.00 0.00 H new ATOM 0 HG2 ARG A 90 20.081 12.003 -11.913 1.00 0.00 H new ATOM 0 HG3 ARG A 90 18.444 12.573 -11.652 1.00 0.00 H new ATOM 0 HD2 ARG A 90 17.998 10.827 -10.035 1.00 0.00 H new ATOM 0 HD3 ARG A 90 19.475 9.978 -10.445 1.00 0.00 H new ATOM 0 HE ARG A 90 20.728 11.458 -9.157 1.00 0.00 H new ATOM 0 HH11 ARG A 90 17.462 12.818 -9.365 1.00 0.00 H new ATOM 0 HH12 ARG A 90 17.816 14.004 -8.104 1.00 0.00 H new ATOM 0 HH21 ARG A 90 21.064 12.971 -7.596 1.00 0.00 H new ATOM 0 HH22 ARG A 90 19.771 14.086 -7.145 1.00 0.00 H new ATOM 1424 N ARG A 91 16.268 8.803 -14.561 1.00 0.00 N ATOM 1425 CA ARG A 91 15.642 8.429 -15.854 1.00 0.00 C ATOM 1426 C ARG A 91 14.119 8.489 -15.783 1.00 0.00 C ATOM 1427 O ARG A 91 13.475 9.097 -16.633 1.00 0.00 O ATOM 1428 CB ARG A 91 16.073 7.011 -16.267 1.00 0.00 C ATOM 1429 CG ARG A 91 17.549 6.895 -16.662 1.00 0.00 C ATOM 1430 CD ARG A 91 17.951 5.412 -16.792 1.00 0.00 C ATOM 1431 NE ARG A 91 18.451 5.099 -18.148 1.00 0.00 N ATOM 1432 CZ ARG A 91 17.807 4.546 -19.164 1.00 0.00 C ATOM 1433 NH1 ARG A 91 16.564 4.164 -19.089 1.00 0.00 N ATOM 1434 NH2 ARG A 91 18.417 4.369 -20.299 1.00 0.00 N ATOM 0 H ARG A 91 16.494 7.997 -13.978 1.00 0.00 H new ATOM 0 HA ARG A 91 15.981 9.151 -16.597 1.00 0.00 H new ATOM 0 HB2 ARG A 91 15.874 6.328 -15.441 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.457 6.686 -17.105 1.00 0.00 H new ATOM 0 HG2 ARG A 91 17.722 7.410 -17.607 1.00 0.00 H new ATOM 0 HG3 ARG A 91 18.173 7.384 -15.914 1.00 0.00 H new ATOM 0 HD2 ARG A 91 18.721 5.178 -16.057 1.00 0.00 H new ATOM 0 HD3 ARG A 91 17.092 4.781 -16.566 1.00 0.00 H new ATOM 0 HE ARG A 91 19.426 5.343 -18.325 1.00 0.00 H new ATOM 0 HH11 ARG A 91 16.044 4.286 -18.220 1.00 0.00 H new ATOM 0 HH12 ARG A 91 16.110 3.743 -19.899 1.00 0.00 H new ATOM 0 HH21 ARG A 91 19.390 4.656 -20.405 1.00 0.00 H new ATOM 0 HH22 ARG A 91 17.922 3.943 -21.083 1.00 0.00 H new ATOM 1448 N GLN A 92 13.563 7.829 -14.760 1.00 0.00 N ATOM 1449 CA GLN A 92 12.118 7.567 -14.658 1.00 0.00 C ATOM 1450 C GLN A 92 11.518 7.573 -13.254 1.00 0.00 C ATOM 1451 O GLN A 92 10.397 8.047 -13.096 1.00 0.00 O ATOM 1452 CB GLN A 92 11.794 6.231 -15.354 1.00 0.00 C ATOM 1453 CG GLN A 92 12.687 5.033 -14.964 1.00 0.00 C ATOM 1454 CD GLN A 92 12.183 3.723 -15.569 1.00 0.00 C ATOM 1455 OE1 GLN A 92 12.687 3.241 -16.574 1.00 0.00 O ATOM 1456 NE2 GLN A 92 11.170 3.106 -14.994 1.00 0.00 N ATOM 0 H GLN A 92 14.102 7.460 -13.977 1.00 0.00 H new ATOM 0 HA GLN A 92 11.648 8.417 -15.153 1.00 0.00 H new ATOM 0 HB2 GLN A 92 10.758 5.973 -15.137 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.867 6.378 -16.432 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.708 5.218 -15.298 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.719 4.943 -13.878 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.743 3.499 -14.156 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.814 2.235 -15.387 1.00 0.00 H new ATOM 1465 N ILE A 93 12.225 7.070 -12.232 1.00 0.00 N ATOM 1466 CA ILE A 93 11.617 6.832 -10.899 1.00 0.00 C ATOM 1467 C ILE A 93 11.269 8.158 -10.198 1.00 0.00 C ATOM 1468 O ILE A 93 10.377 8.194 -9.356 1.00 0.00 O ATOM 1469 CB ILE A 93 12.469 5.871 -10.021 1.00 0.00 C ATOM 1470 CG1 ILE A 93 12.969 4.648 -10.834 1.00 0.00 C ATOM 1471 CG2 ILE A 93 11.652 5.390 -8.807 1.00 0.00 C ATOM 1472 CD1 ILE A 93 13.739 3.567 -10.058 1.00 0.00 C ATOM 0 H ILE A 93 13.212 6.819 -12.294 1.00 0.00 H new ATOM 0 HA ILE A 93 10.673 6.311 -11.056 1.00 0.00 H new ATOM 0 HB ILE A 93 13.340 6.428 -9.675 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.106 4.178 -11.305 1.00 0.00 H new ATOM 0 HG13 ILE A 93 13.611 5.013 -11.636 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.261 4.718 -8.202 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.353 6.249 -8.206 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.763 4.862 -9.153 1.00 0.00 H new ATOM 0 HD11 ILE A 93 14.032 2.769 -10.740 1.00 0.00 H new ATOM 0 HD12 ILE A 93 14.630 4.006 -9.609 1.00 0.00 H new ATOM 0 HD13 ILE A 93 13.102 3.158 -9.274 1.00 0.00 H new