USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 619 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 64 ASN : amide:sc= -0.362 X(o=-0.34,f=0.024) USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= 0.0235 USER MOD Set 2.1: A 58 THR OG1 : rot 180:sc=-0.000828 USER MOD Set 2.2: A 63 TYR OH : rot 30:sc= 0.473 USER MOD Single : A 4 SER OG : rot 33:sc= 0.14 USER MOD Single : A 8 LYS NZ :NH3+ 170:sc=-0.00679 (180deg=-0.12) USER MOD Single : A 11 THR OG1 : rot -60:sc= -0.12 USER MOD Single : A 12 THR OG1 : rot 83:sc= 0.393 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.169 USER MOD Single : A 22 LYS NZ :NH3+ -142:sc= -0.014 (180deg=-1.92!) USER MOD Single : A 26 THR OG1 : rot -179:sc= -0.126 USER MOD Single : A 31 MET CE :methyl -154:sc= -0.0133 (180deg=-1.17) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -159:sc= 1.05 (180deg=0.781) USER MOD Single : A 37 GLN : amide:sc= -0.789 X(o=-0.79,f=-1.2) USER MOD Single : A 38 THR OG1 : rot -23:sc= -0.66 USER MOD Single : A 44 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.52) USER MOD Single : A 49 TYR OH : rot -105:sc= 0.281 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.8 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00814) USER MOD Single : A 75 THR OG1 : rot 38:sc= 0.286 USER MOD ----------------------------------------------------------------- ATOM 28 N SER A 4 -2.855 -3.157 -2.193 1.00 0.00 N ATOM 29 CA SER A 4 -3.847 -2.117 -1.914 1.00 0.00 C ATOM 30 C SER A 4 -3.537 -0.860 -2.756 1.00 0.00 C ATOM 31 O SER A 4 -2.617 -0.093 -2.446 1.00 0.00 O ATOM 32 CB SER A 4 -3.850 -1.779 -0.411 1.00 0.00 C ATOM 33 OG SER A 4 -3.938 -2.954 0.385 1.00 0.00 O ATOM 0 HA SER A 4 -4.838 -2.482 -2.185 1.00 0.00 H new ATOM 0 HB2 SER A 4 -2.941 -1.233 -0.157 1.00 0.00 H new ATOM 0 HB3 SER A 4 -4.690 -1.122 -0.186 1.00 0.00 H new ATOM 0 HG SER A 4 -3.471 -3.689 -0.064 1.00 0.00 H new ATOM 39 N LEU A 5 -4.309 -0.694 -3.823 1.00 0.00 N ATOM 40 CA LEU A 5 -4.094 0.324 -4.857 1.00 0.00 C ATOM 41 C LEU A 5 -4.793 1.652 -4.514 1.00 0.00 C ATOM 42 O LEU A 5 -5.938 1.666 -4.061 1.00 0.00 O ATOM 43 CB LEU A 5 -4.540 -0.255 -6.235 1.00 0.00 C ATOM 44 CG LEU A 5 -5.866 -1.106 -6.298 1.00 0.00 C ATOM 45 CD1 LEU A 5 -7.146 -0.234 -6.293 1.00 0.00 C ATOM 46 CD2 LEU A 5 -5.838 -2.054 -7.515 1.00 0.00 C ATOM 0 H LEU A 5 -5.126 -1.278 -4.003 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.033 0.566 -4.910 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.649 0.581 -6.926 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.728 -0.877 -6.612 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.906 -1.703 -5.387 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -8.025 -0.877 -6.338 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.178 0.360 -5.380 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.138 0.430 -7.158 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.760 -2.635 -7.545 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.748 -1.469 -8.430 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.986 -2.729 -7.431 1.00 0.00 H new ATOM 58 N GLU A 6 -4.087 2.770 -4.754 1.00 0.00 N ATOM 59 CA GLU A 6 -4.554 4.108 -4.361 1.00 0.00 C ATOM 60 C GLU A 6 -5.289 4.781 -5.525 1.00 0.00 C ATOM 61 O GLU A 6 -4.691 5.078 -6.561 1.00 0.00 O ATOM 62 CB GLU A 6 -3.371 4.980 -3.876 1.00 0.00 C ATOM 63 CG GLU A 6 -3.808 6.317 -3.244 1.00 0.00 C ATOM 64 CD GLU A 6 -2.634 7.138 -2.697 1.00 0.00 C ATOM 65 OE1 GLU A 6 -1.988 6.682 -1.723 1.00 0.00 O ATOM 66 OE2 GLU A 6 -2.359 8.245 -3.212 1.00 0.00 O ATOM 0 H GLU A 6 -3.181 2.771 -5.223 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.254 4.000 -3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.790 4.416 -3.147 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.712 5.185 -4.719 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.340 6.908 -3.990 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.511 6.117 -2.435 1.00 0.00 H new ATOM 73 N ILE A 7 -6.593 5.004 -5.337 1.00 0.00 N ATOM 74 CA ILE A 7 -7.480 5.600 -6.350 1.00 0.00 C ATOM 75 C ILE A 7 -8.060 6.928 -5.847 1.00 0.00 C ATOM 76 O ILE A 7 -7.991 7.244 -4.651 1.00 0.00 O ATOM 77 CB ILE A 7 -8.655 4.621 -6.706 1.00 0.00 C ATOM 78 CG1 ILE A 7 -9.533 4.318 -5.440 1.00 0.00 C ATOM 79 CG2 ILE A 7 -8.095 3.314 -7.323 1.00 0.00 C ATOM 80 CD1 ILE A 7 -10.812 3.566 -5.725 1.00 0.00 C ATOM 0 H ILE A 7 -7.072 4.774 -4.466 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.886 5.784 -7.245 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.296 5.102 -7.445 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.938 3.741 -4.732 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.782 5.261 -4.953 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.920 2.644 -7.565 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.540 3.549 -8.231 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.431 2.829 -6.607 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -11.353 3.402 -4.793 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.432 4.148 -6.407 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -10.575 2.605 -6.181 1.00 0.00 H new ATOM 92 N LYS A 8 -8.633 7.689 -6.785 1.00 0.00 N ATOM 93 CA LYS A 8 -9.294 8.970 -6.510 1.00 0.00 C ATOM 94 C LYS A 8 -10.792 8.851 -6.797 1.00 0.00 C ATOM 95 O LYS A 8 -11.195 8.096 -7.680 1.00 0.00 O ATOM 96 CB LYS A 8 -8.672 10.112 -7.365 1.00 0.00 C ATOM 97 CG LYS A 8 -7.192 10.458 -7.030 1.00 0.00 C ATOM 98 CD LYS A 8 -6.160 9.467 -7.631 1.00 0.00 C ATOM 99 CE LYS A 8 -6.128 9.506 -9.168 1.00 0.00 C ATOM 100 NZ LYS A 8 -5.739 10.831 -9.695 1.00 0.00 N ATOM 0 H LYS A 8 -8.651 7.429 -7.771 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.147 9.217 -5.458 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -8.734 9.832 -8.417 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -9.276 11.010 -7.238 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.973 11.461 -7.396 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.071 10.480 -5.947 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.168 9.702 -7.245 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.399 8.456 -7.302 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.428 8.754 -9.532 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.112 9.240 -9.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.568 10.761 -10.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.504 11.513 -9.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.871 11.152 -9.220 1.00 0.00 H new ATOM 114 N ILE A 9 -11.617 9.588 -6.020 1.00 0.00 N ATOM 115 CA ILE A 9 -13.077 9.626 -6.199 1.00 0.00 C ATOM 116 C ILE A 9 -13.544 11.103 -6.223 1.00 0.00 C ATOM 117 O ILE A 9 -13.751 11.718 -5.174 1.00 0.00 O ATOM 118 CB ILE A 9 -13.893 8.839 -5.078 1.00 0.00 C ATOM 119 CG1 ILE A 9 -13.422 7.340 -4.902 1.00 0.00 C ATOM 120 CG2 ILE A 9 -15.413 8.889 -5.395 1.00 0.00 C ATOM 121 CD1 ILE A 9 -12.173 7.137 -4.046 1.00 0.00 C ATOM 0 H ILE A 9 -11.285 10.172 -5.252 1.00 0.00 H new ATOM 0 HA ILE A 9 -13.286 9.120 -7.142 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.692 9.341 -4.132 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -14.240 6.770 -4.460 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.236 6.918 -5.890 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -15.963 8.349 -4.624 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -15.746 9.927 -5.419 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -15.598 8.426 -6.364 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.938 6.074 -3.991 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.335 7.671 -4.493 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.354 7.521 -3.042 1.00 0.00 H new ATOM 133 N ARG A 10 -13.639 11.674 -7.427 1.00 0.00 N ATOM 134 CA ARG A 10 -14.242 12.999 -7.650 1.00 0.00 C ATOM 135 C ARG A 10 -15.759 12.935 -7.357 1.00 0.00 C ATOM 136 O ARG A 10 -16.439 12.059 -7.869 1.00 0.00 O ATOM 137 CB ARG A 10 -13.988 13.448 -9.113 1.00 0.00 C ATOM 138 CG ARG A 10 -14.579 14.830 -9.485 1.00 0.00 C ATOM 139 CD ARG A 10 -14.382 15.177 -10.969 1.00 0.00 C ATOM 140 NE ARG A 10 -14.948 16.495 -11.309 1.00 0.00 N ATOM 141 CZ ARG A 10 -15.532 16.813 -12.478 1.00 0.00 C ATOM 142 NH1 ARG A 10 -15.695 15.908 -13.432 1.00 0.00 N ATOM 143 NH2 ARG A 10 -15.946 18.046 -12.684 1.00 0.00 N ATOM 0 H ARG A 10 -13.299 11.231 -8.281 1.00 0.00 H new ATOM 0 HA ARG A 10 -13.787 13.726 -6.978 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -12.913 13.470 -9.289 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.405 12.698 -9.785 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.644 14.840 -9.251 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.110 15.599 -8.871 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.318 15.168 -11.205 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -14.852 14.411 -11.586 1.00 0.00 H new ATOM 0 HE ARG A 10 -14.892 17.226 -10.600 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -15.375 14.950 -13.287 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -16.140 16.169 -14.312 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.823 18.753 -11.959 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -16.390 18.294 -13.568 1.00 0.00 H new ATOM 157 N THR A 11 -16.271 13.856 -6.528 1.00 0.00 N ATOM 158 CA THR A 11 -17.699 13.876 -6.139 1.00 0.00 C ATOM 159 C THR A 11 -18.552 14.687 -7.137 1.00 0.00 C ATOM 160 O THR A 11 -18.019 15.248 -8.107 1.00 0.00 O ATOM 161 CB THR A 11 -17.867 14.464 -4.700 1.00 0.00 C ATOM 162 OG1 THR A 11 -17.551 15.860 -4.703 1.00 0.00 O ATOM 163 CG2 THR A 11 -16.961 13.748 -3.690 1.00 0.00 C ATOM 0 H THR A 11 -15.718 14.604 -6.109 1.00 0.00 H new ATOM 0 HA THR A 11 -18.053 12.845 -6.152 1.00 0.00 H new ATOM 0 HB THR A 11 -18.905 14.314 -4.402 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.624 15.985 -4.995 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.104 14.183 -2.701 1.00 0.00 H new ATOM 0 HG22 THR A 11 -17.215 12.688 -3.661 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.919 13.863 -3.990 1.00 0.00 H new ATOM 171 N THR A 12 -19.878 14.749 -6.884 1.00 0.00 N ATOM 172 CA THR A 12 -20.810 15.646 -7.609 1.00 0.00 C ATOM 173 C THR A 12 -20.433 17.130 -7.405 1.00 0.00 C ATOM 174 O THR A 12 -20.728 17.974 -8.254 1.00 0.00 O ATOM 175 CB THR A 12 -22.290 15.410 -7.136 1.00 0.00 C ATOM 176 OG1 THR A 12 -22.316 15.247 -5.705 1.00 0.00 O ATOM 177 CG2 THR A 12 -22.939 14.189 -7.801 1.00 0.00 C ATOM 0 H THR A 12 -20.334 14.179 -6.172 1.00 0.00 H new ATOM 0 HA THR A 12 -20.730 15.409 -8.670 1.00 0.00 H new ATOM 0 HB THR A 12 -22.867 16.285 -7.435 1.00 0.00 H new ATOM 0 HG1 THR A 12 -22.318 16.128 -5.275 1.00 0.00 H new ATOM 0 HG21 THR A 12 -23.960 14.076 -7.436 1.00 0.00 H new ATOM 0 HG22 THR A 12 -22.953 14.328 -8.882 1.00 0.00 H new ATOM 0 HG23 THR A 12 -22.365 13.295 -7.558 1.00 0.00 H new ATOM 185 N GLU A 13 -19.765 17.413 -6.270 1.00 0.00 N ATOM 186 CA GLU A 13 -19.296 18.762 -5.906 1.00 0.00 C ATOM 187 C GLU A 13 -18.027 19.137 -6.696 1.00 0.00 C ATOM 188 O GLU A 13 -17.623 20.296 -6.716 1.00 0.00 O ATOM 189 CB GLU A 13 -19.013 18.831 -4.375 1.00 0.00 C ATOM 190 CG GLU A 13 -20.116 18.220 -3.478 1.00 0.00 C ATOM 191 CD GLU A 13 -21.529 18.739 -3.801 1.00 0.00 C ATOM 192 OE1 GLU A 13 -22.328 17.998 -4.409 1.00 0.00 O ATOM 193 OE2 GLU A 13 -21.846 19.889 -3.449 1.00 0.00 O ATOM 0 H GLU A 13 -19.534 16.704 -5.574 1.00 0.00 H new ATOM 0 HA GLU A 13 -20.078 19.477 -6.160 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -18.074 18.317 -4.171 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -18.873 19.875 -4.093 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -20.102 17.136 -3.587 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -19.887 18.438 -2.435 1.00 0.00 H new ATOM 200 N GLY A 14 -17.392 18.125 -7.316 1.00 0.00 N ATOM 201 CA GLY A 14 -16.190 18.320 -8.123 1.00 0.00 C ATOM 202 C GLY A 14 -14.906 18.151 -7.325 1.00 0.00 C ATOM 203 O GLY A 14 -13.819 18.093 -7.919 1.00 0.00 O ATOM 0 H GLY A 14 -17.703 17.155 -7.267 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -16.194 17.609 -8.949 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -16.211 19.318 -8.561 1.00 0.00 H new ATOM 207 N ARG A 15 -15.024 18.084 -5.975 1.00 0.00 N ATOM 208 CA ARG A 15 -13.868 17.864 -5.092 1.00 0.00 C ATOM 209 C ARG A 15 -13.353 16.420 -5.265 1.00 0.00 C ATOM 210 O ARG A 15 -14.132 15.459 -5.224 1.00 0.00 O ATOM 211 CB ARG A 15 -14.207 18.154 -3.597 1.00 0.00 C ATOM 212 CG ARG A 15 -15.319 17.265 -2.988 1.00 0.00 C ATOM 213 CD ARG A 15 -15.447 17.399 -1.467 1.00 0.00 C ATOM 214 NE ARG A 15 -15.853 18.748 -1.038 1.00 0.00 N ATOM 215 CZ ARG A 15 -15.724 19.232 0.209 1.00 0.00 C ATOM 216 NH1 ARG A 15 -15.182 18.505 1.175 1.00 0.00 N ATOM 217 NH2 ARG A 15 -16.152 20.445 0.487 1.00 0.00 N ATOM 0 H ARG A 15 -15.911 18.180 -5.481 1.00 0.00 H new ATOM 0 HA ARG A 15 -13.085 18.566 -5.380 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -13.300 18.030 -3.005 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -14.508 19.198 -3.505 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -16.272 17.524 -3.449 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -15.117 16.223 -3.237 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -16.176 16.674 -1.104 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -14.492 17.149 -1.005 1.00 0.00 H new ATOM 0 HE ARG A 15 -16.264 19.362 -1.741 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -14.854 17.560 0.979 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -15.093 18.891 2.115 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -16.580 21.015 -0.243 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -16.056 20.816 1.432 1.00 0.00 H new ATOM 231 N THR A 16 -12.049 16.290 -5.505 1.00 0.00 N ATOM 232 CA THR A 16 -11.395 14.998 -5.693 1.00 0.00 C ATOM 233 C THR A 16 -10.968 14.430 -4.328 1.00 0.00 C ATOM 234 O THR A 16 -10.301 15.110 -3.544 1.00 0.00 O ATOM 235 CB THR A 16 -10.161 15.141 -6.638 1.00 0.00 C ATOM 236 OG1 THR A 16 -10.591 15.698 -7.893 1.00 0.00 O ATOM 237 CG2 THR A 16 -9.454 13.794 -6.889 1.00 0.00 C ATOM 0 H THR A 16 -11.413 17.084 -5.575 1.00 0.00 H new ATOM 0 HA THR A 16 -12.099 14.309 -6.159 1.00 0.00 H new ATOM 0 HB THR A 16 -9.443 15.799 -6.149 1.00 0.00 H new ATOM 0 HG1 THR A 16 -9.820 15.792 -8.491 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.603 13.948 -7.552 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.106 13.384 -5.941 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.153 13.097 -7.351 1.00 0.00 H new ATOM 245 N LEU A 17 -11.399 13.196 -4.050 1.00 0.00 N ATOM 246 CA LEU A 17 -11.021 12.441 -2.846 1.00 0.00 C ATOM 247 C LEU A 17 -9.921 11.450 -3.219 1.00 0.00 C ATOM 248 O LEU A 17 -9.703 11.206 -4.400 1.00 0.00 O ATOM 249 CB LEU A 17 -12.257 11.696 -2.299 1.00 0.00 C ATOM 250 CG LEU A 17 -13.500 12.592 -1.993 1.00 0.00 C ATOM 251 CD1 LEU A 17 -14.707 11.742 -1.558 1.00 0.00 C ATOM 252 CD2 LEU A 17 -13.167 13.673 -0.939 1.00 0.00 C ATOM 0 H LEU A 17 -12.031 12.683 -4.664 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.653 13.116 -2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -12.549 10.933 -3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.971 11.176 -1.384 1.00 0.00 H new ATOM 0 HG LEU A 17 -13.772 13.104 -2.916 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -15.556 12.394 -1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.969 11.047 -2.355 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.453 11.183 -0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -14.052 14.280 -0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.849 13.193 -0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.364 14.309 -1.312 1.00 0.00 H new ATOM 264 N THR A 18 -9.219 10.891 -2.228 1.00 0.00 N ATOM 265 CA THR A 18 -8.165 9.892 -2.467 1.00 0.00 C ATOM 266 C THR A 18 -8.104 8.902 -1.289 1.00 0.00 C ATOM 267 O THR A 18 -7.951 9.322 -0.134 1.00 0.00 O ATOM 268 CB THR A 18 -6.760 10.563 -2.666 1.00 0.00 C ATOM 269 OG1 THR A 18 -6.812 11.497 -3.752 1.00 0.00 O ATOM 270 CG2 THR A 18 -5.657 9.530 -2.946 1.00 0.00 C ATOM 0 H THR A 18 -9.362 11.114 -1.243 1.00 0.00 H new ATOM 0 HA THR A 18 -8.416 9.361 -3.385 1.00 0.00 H new ATOM 0 HB THR A 18 -6.515 11.076 -1.736 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.932 11.912 -3.869 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.704 10.042 -3.077 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.585 8.838 -2.107 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.899 8.976 -3.853 1.00 0.00 H new ATOM 278 N VAL A 19 -8.248 7.598 -1.591 1.00 0.00 N ATOM 279 CA VAL A 19 -8.062 6.493 -0.622 1.00 0.00 C ATOM 280 C VAL A 19 -7.400 5.301 -1.328 1.00 0.00 C ATOM 281 O VAL A 19 -7.548 5.125 -2.545 1.00 0.00 O ATOM 282 CB VAL A 19 -9.420 6.002 0.041 1.00 0.00 C ATOM 283 CG1 VAL A 19 -9.992 7.039 1.040 1.00 0.00 C ATOM 284 CG2 VAL A 19 -10.477 5.625 -1.041 1.00 0.00 C ATOM 0 H VAL A 19 -8.500 7.275 -2.525 1.00 0.00 H new ATOM 0 HA VAL A 19 -7.432 6.883 0.178 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.185 5.103 0.611 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.920 6.659 1.467 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.270 7.213 1.838 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -10.189 7.976 0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.394 5.293 -0.554 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -10.690 6.496 -1.661 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.087 4.822 -1.666 1.00 0.00 H new ATOM 294 N ASP A 20 -6.679 4.484 -0.555 1.00 0.00 N ATOM 295 CA ASP A 20 -6.118 3.208 -1.037 1.00 0.00 C ATOM 296 C ASP A 20 -7.031 2.066 -0.584 1.00 0.00 C ATOM 297 O ASP A 20 -7.533 2.078 0.539 1.00 0.00 O ATOM 298 CB ASP A 20 -4.662 2.998 -0.543 1.00 0.00 C ATOM 299 CG ASP A 20 -4.530 2.983 0.990 1.00 0.00 C ATOM 300 OD1 ASP A 20 -4.550 4.074 1.603 1.00 0.00 O ATOM 301 OD2 ASP A 20 -4.407 1.889 1.590 1.00 0.00 O ATOM 0 H ASP A 20 -6.465 4.684 0.422 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.073 3.227 -2.126 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.284 2.057 -0.942 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.032 3.791 -0.946 1.00 0.00 H new ATOM 306 N VAL A 21 -7.261 1.107 -1.481 1.00 0.00 N ATOM 307 CA VAL A 21 -8.191 -0.024 -1.289 1.00 0.00 C ATOM 308 C VAL A 21 -7.661 -1.254 -2.039 1.00 0.00 C ATOM 309 O VAL A 21 -6.925 -1.118 -3.019 1.00 0.00 O ATOM 310 CB VAL A 21 -9.645 0.312 -1.811 1.00 0.00 C ATOM 311 CG1 VAL A 21 -10.421 1.249 -0.845 1.00 0.00 C ATOM 312 CG2 VAL A 21 -9.579 0.921 -3.241 1.00 0.00 C ATOM 0 H VAL A 21 -6.796 1.088 -2.389 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.253 -0.224 -0.219 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.200 -0.626 -1.850 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.413 1.448 -1.250 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.517 0.769 0.129 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.879 2.188 -0.735 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.588 1.147 -3.587 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.989 1.837 -3.219 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.114 0.206 -3.920 1.00 0.00 H new ATOM 322 N LYS A 22 -8.052 -2.444 -1.580 1.00 0.00 N ATOM 323 CA LYS A 22 -7.632 -3.711 -2.192 1.00 0.00 C ATOM 324 C LYS A 22 -8.510 -4.012 -3.437 1.00 0.00 C ATOM 325 O LYS A 22 -9.718 -3.771 -3.403 1.00 0.00 O ATOM 326 CB LYS A 22 -7.719 -4.848 -1.143 1.00 0.00 C ATOM 327 CG LYS A 22 -6.886 -4.597 0.132 1.00 0.00 C ATOM 328 CD LYS A 22 -7.055 -5.689 1.230 1.00 0.00 C ATOM 329 CE LYS A 22 -6.197 -6.953 1.012 1.00 0.00 C ATOM 330 NZ LYS A 22 -6.552 -7.705 -0.212 1.00 0.00 N ATOM 0 H LYS A 22 -8.668 -2.559 -0.775 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.597 -3.637 -2.525 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.762 -4.987 -0.860 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.387 -5.778 -1.604 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.833 -4.533 -0.142 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.166 -3.630 0.551 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.802 -5.256 2.198 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.104 -5.981 1.276 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.147 -6.665 0.960 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.305 -7.609 1.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.485 -8.726 -0.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.524 -7.468 -0.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.897 -7.450 -0.978 1.00 0.00 H new ATOM 344 N PRO A 23 -7.908 -4.544 -4.553 1.00 0.00 N ATOM 345 CA PRO A 23 -8.629 -4.813 -5.840 1.00 0.00 C ATOM 346 C PRO A 23 -9.752 -5.874 -5.724 1.00 0.00 C ATOM 347 O PRO A 23 -10.632 -5.951 -6.585 1.00 0.00 O ATOM 348 CB PRO A 23 -7.487 -5.281 -6.792 1.00 0.00 C ATOM 349 CG PRO A 23 -6.392 -5.766 -5.881 1.00 0.00 C ATOM 350 CD PRO A 23 -6.470 -4.901 -4.652 1.00 0.00 C ATOM 0 HA PRO A 23 -9.164 -3.931 -6.193 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.828 -6.075 -7.456 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.141 -4.463 -7.424 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.530 -6.817 -5.629 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.417 -5.678 -6.360 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.130 -5.436 -3.765 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.844 -4.014 -4.748 1.00 0.00 H new ATOM 358 N ASP A 24 -9.706 -6.675 -4.652 1.00 0.00 N ATOM 359 CA ASP A 24 -10.695 -7.741 -4.380 1.00 0.00 C ATOM 360 C ASP A 24 -11.935 -7.210 -3.624 1.00 0.00 C ATOM 361 O ASP A 24 -12.902 -7.957 -3.438 1.00 0.00 O ATOM 362 CB ASP A 24 -10.030 -8.879 -3.573 1.00 0.00 C ATOM 363 CG ASP A 24 -9.445 -8.390 -2.236 1.00 0.00 C ATOM 364 OD1 ASP A 24 -8.361 -7.792 -2.257 1.00 0.00 O ATOM 365 OD2 ASP A 24 -10.074 -8.590 -1.167 1.00 0.00 O ATOM 0 H ASP A 24 -8.979 -6.606 -3.940 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.040 -8.122 -5.341 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.765 -9.661 -3.380 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.237 -9.328 -4.170 1.00 0.00 H new ATOM 370 N ARG A 25 -11.896 -5.932 -3.181 1.00 0.00 N ATOM 371 CA ARG A 25 -13.024 -5.299 -2.453 1.00 0.00 C ATOM 372 C ARG A 25 -14.187 -5.023 -3.412 1.00 0.00 C ATOM 373 O ARG A 25 -14.019 -5.091 -4.631 1.00 0.00 O ATOM 374 CB ARG A 25 -12.573 -3.978 -1.757 1.00 0.00 C ATOM 375 CG ARG A 25 -11.427 -4.144 -0.733 1.00 0.00 C ATOM 376 CD ARG A 25 -11.764 -5.093 0.432 1.00 0.00 C ATOM 377 NE ARG A 25 -12.650 -4.489 1.446 1.00 0.00 N ATOM 378 CZ ARG A 25 -13.042 -5.099 2.583 1.00 0.00 C ATOM 379 NH1 ARG A 25 -12.737 -6.366 2.824 1.00 0.00 N ATOM 380 NH2 ARG A 25 -13.756 -4.448 3.475 1.00 0.00 N ATOM 0 H ARG A 25 -11.094 -5.316 -3.315 1.00 0.00 H new ATOM 0 HA ARG A 25 -13.359 -5.991 -1.680 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -12.257 -3.270 -2.523 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -13.433 -3.538 -1.251 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.543 -4.518 -1.249 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -11.170 -3.165 -0.329 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -12.239 -5.990 0.034 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -10.838 -5.409 0.912 1.00 0.00 H new ATOM 0 HE ARG A 25 -12.990 -3.543 1.275 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -12.196 -6.899 2.143 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -13.043 -6.808 3.690 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -14.016 -3.476 3.309 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -14.049 -4.915 4.333 1.00 0.00 H new ATOM 394 N THR A 26 -15.366 -4.723 -2.860 1.00 0.00 N ATOM 395 CA THR A 26 -16.548 -4.355 -3.657 1.00 0.00 C ATOM 396 C THR A 26 -16.629 -2.835 -3.803 1.00 0.00 C ATOM 397 O THR A 26 -15.964 -2.088 -3.068 1.00 0.00 O ATOM 398 CB THR A 26 -17.864 -4.904 -3.023 1.00 0.00 C ATOM 399 OG1 THR A 26 -17.996 -4.432 -1.670 1.00 0.00 O ATOM 400 CG2 THR A 26 -17.900 -6.443 -3.040 1.00 0.00 C ATOM 0 H THR A 26 -15.532 -4.727 -1.854 1.00 0.00 H new ATOM 0 HA THR A 26 -16.440 -4.809 -4.642 1.00 0.00 H new ATOM 0 HB THR A 26 -18.698 -4.538 -3.622 1.00 0.00 H new ATOM 0 HG1 THR A 26 -18.817 -4.793 -1.276 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.830 -6.790 -2.591 1.00 0.00 H new ATOM 0 HG22 THR A 26 -17.840 -6.797 -4.069 1.00 0.00 H new ATOM 0 HG23 THR A 26 -17.055 -6.833 -2.472 1.00 0.00 H new ATOM 408 N ILE A 27 -17.442 -2.377 -4.764 1.00 0.00 N ATOM 409 CA ILE A 27 -17.649 -0.944 -5.018 1.00 0.00 C ATOM 410 C ILE A 27 -18.370 -0.287 -3.808 1.00 0.00 C ATOM 411 O ILE A 27 -18.209 0.908 -3.571 1.00 0.00 O ATOM 412 CB ILE A 27 -18.439 -0.721 -6.366 1.00 0.00 C ATOM 413 CG1 ILE A 27 -17.697 -1.382 -7.573 1.00 0.00 C ATOM 414 CG2 ILE A 27 -18.730 0.775 -6.649 1.00 0.00 C ATOM 415 CD1 ILE A 27 -16.314 -0.827 -7.883 1.00 0.00 C ATOM 0 H ILE A 27 -17.973 -2.987 -5.386 1.00 0.00 H new ATOM 0 HA ILE A 27 -16.679 -0.460 -5.132 1.00 0.00 H new ATOM 0 HB ILE A 27 -19.404 -1.213 -6.243 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -17.604 -2.450 -7.377 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.319 -1.274 -8.461 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.275 0.868 -7.588 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -19.330 1.189 -5.839 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -17.790 1.322 -6.719 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -15.892 -1.357 -8.737 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -16.392 0.235 -8.118 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.666 -0.960 -7.017 1.00 0.00 H new ATOM 427 N GLU A 28 -19.118 -1.112 -3.026 1.00 0.00 N ATOM 428 CA GLU A 28 -19.721 -0.713 -1.726 1.00 0.00 C ATOM 429 C GLU A 28 -18.681 -0.073 -0.795 1.00 0.00 C ATOM 430 O GLU A 28 -18.959 0.948 -0.171 1.00 0.00 O ATOM 431 CB GLU A 28 -20.326 -1.946 -1.003 1.00 0.00 C ATOM 432 CG GLU A 28 -21.546 -2.568 -1.701 1.00 0.00 C ATOM 433 CD GLU A 28 -21.933 -3.935 -1.126 1.00 0.00 C ATOM 434 OE1 GLU A 28 -21.124 -4.876 -1.253 1.00 0.00 O ATOM 435 OE2 GLU A 28 -23.041 -4.081 -0.563 1.00 0.00 O ATOM 0 H GLU A 28 -19.320 -2.078 -3.282 1.00 0.00 H new ATOM 0 HA GLU A 28 -20.501 0.014 -1.949 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -19.553 -2.708 -0.906 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -20.613 -1.653 0.007 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -22.394 -1.889 -1.611 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -21.334 -2.674 -2.765 1.00 0.00 H new ATOM 442 N GLU A 29 -17.486 -0.699 -0.734 1.00 0.00 N ATOM 443 CA GLU A 29 -16.368 -0.241 0.112 1.00 0.00 C ATOM 444 C GLU A 29 -15.976 1.185 -0.249 1.00 0.00 C ATOM 445 O GLU A 29 -15.782 2.019 0.628 1.00 0.00 O ATOM 446 CB GLU A 29 -15.138 -1.191 -0.017 1.00 0.00 C ATOM 447 CG GLU A 29 -15.459 -2.670 0.245 1.00 0.00 C ATOM 448 CD GLU A 29 -16.184 -2.898 1.577 1.00 0.00 C ATOM 449 OE1 GLU A 29 -17.323 -3.415 1.576 1.00 0.00 O ATOM 450 OE2 GLU A 29 -15.606 -2.554 2.629 1.00 0.00 O ATOM 0 H GLU A 29 -17.271 -1.538 -1.272 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.703 -0.261 1.149 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.720 -1.093 -1.019 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.368 -0.868 0.683 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -16.076 -3.052 -0.568 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.532 -3.244 0.239 1.00 0.00 H new ATOM 457 N LEU A 30 -15.929 1.450 -1.560 1.00 0.00 N ATOM 458 CA LEU A 30 -15.601 2.773 -2.111 1.00 0.00 C ATOM 459 C LEU A 30 -16.662 3.802 -1.701 1.00 0.00 C ATOM 460 O LEU A 30 -16.325 4.914 -1.292 1.00 0.00 O ATOM 461 CB LEU A 30 -15.506 2.699 -3.655 1.00 0.00 C ATOM 462 CG LEU A 30 -14.614 1.547 -4.219 1.00 0.00 C ATOM 463 CD1 LEU A 30 -14.582 1.552 -5.759 1.00 0.00 C ATOM 464 CD2 LEU A 30 -13.190 1.592 -3.625 1.00 0.00 C ATOM 0 H LEU A 30 -16.119 0.748 -2.275 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.637 3.086 -1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.512 2.587 -4.059 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.119 3.649 -4.024 1.00 0.00 H new ATOM 0 HG LEU A 30 -15.069 0.606 -3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -13.951 0.736 -6.112 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.593 1.422 -6.144 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.179 2.501 -6.111 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.597 0.777 -4.039 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.722 2.544 -3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.244 1.487 -2.541 1.00 0.00 H new ATOM 476 N MET A 31 -17.944 3.383 -1.809 1.00 0.00 N ATOM 477 CA MET A 31 -19.116 4.200 -1.443 1.00 0.00 C ATOM 478 C MET A 31 -19.070 4.605 0.050 1.00 0.00 C ATOM 479 O MET A 31 -19.506 5.700 0.421 1.00 0.00 O ATOM 480 CB MET A 31 -20.439 3.453 -1.781 1.00 0.00 C ATOM 481 CG MET A 31 -20.547 2.961 -3.234 1.00 0.00 C ATOM 482 SD MET A 31 -22.241 2.617 -3.773 1.00 0.00 S ATOM 483 CE MET A 31 -22.742 4.217 -4.418 1.00 0.00 C ATOM 0 H MET A 31 -18.193 2.457 -2.157 1.00 0.00 H new ATOM 0 HA MET A 31 -19.086 5.115 -2.035 1.00 0.00 H new ATOM 0 HB2 MET A 31 -20.537 2.597 -1.114 1.00 0.00 H new ATOM 0 HB3 MET A 31 -21.278 4.117 -1.573 1.00 0.00 H new ATOM 0 HG2 MET A 31 -20.112 3.712 -3.894 1.00 0.00 H new ATOM 0 HG3 MET A 31 -19.951 2.055 -3.345 1.00 0.00 H new ATOM 0 HE1 MET A 31 -23.826 4.312 -4.355 1.00 0.00 H new ATOM 0 HE2 MET A 31 -22.274 5.008 -3.832 1.00 0.00 H new ATOM 0 HE3 MET A 31 -22.431 4.303 -5.459 1.00 0.00 H new ATOM 493 N GLU A 32 -18.510 3.712 0.885 1.00 0.00 N ATOM 494 CA GLU A 32 -18.316 3.961 2.322 1.00 0.00 C ATOM 495 C GLU A 32 -17.190 4.985 2.565 1.00 0.00 C ATOM 496 O GLU A 32 -17.318 5.862 3.435 1.00 0.00 O ATOM 497 CB GLU A 32 -17.968 2.647 3.054 1.00 0.00 C ATOM 498 CG GLU A 32 -19.038 1.542 2.963 1.00 0.00 C ATOM 499 CD GLU A 32 -18.679 0.283 3.772 1.00 0.00 C ATOM 500 OE1 GLU A 32 -19.478 -0.141 4.639 1.00 0.00 O ATOM 501 OE2 GLU A 32 -17.576 -0.261 3.571 1.00 0.00 O ATOM 0 H GLU A 32 -18.179 2.796 0.581 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.250 4.364 2.713 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -17.034 2.260 2.648 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -17.789 2.872 4.105 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -19.990 1.936 3.320 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -19.179 1.267 1.918 1.00 0.00 H new ATOM 508 N LYS A 33 -16.082 4.839 1.811 1.00 0.00 N ATOM 509 CA LYS A 33 -14.906 5.726 1.937 1.00 0.00 C ATOM 510 C LYS A 33 -15.303 7.176 1.606 1.00 0.00 C ATOM 511 O LYS A 33 -15.188 8.054 2.442 1.00 0.00 O ATOM 512 CB LYS A 33 -13.711 5.280 1.034 1.00 0.00 C ATOM 513 CG LYS A 33 -13.304 3.789 1.128 1.00 0.00 C ATOM 514 CD LYS A 33 -13.163 3.270 2.580 1.00 0.00 C ATOM 515 CE LYS A 33 -12.737 1.788 2.638 1.00 0.00 C ATOM 516 NZ LYS A 33 -12.522 1.325 4.037 1.00 0.00 N ATOM 0 H LYS A 33 -15.976 4.111 1.104 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.566 5.659 2.971 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -13.963 5.502 -0.003 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.843 5.889 1.288 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -14.047 3.186 0.607 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.357 3.647 0.608 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.429 3.877 3.110 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.113 3.392 3.100 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.502 1.172 2.165 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.819 1.652 2.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.237 0.325 4.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.774 1.896 4.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.404 1.431 4.577 1.00 0.00 H new ATOM 530 N LEU A 34 -15.820 7.397 0.388 1.00 0.00 N ATOM 531 CA LEU A 34 -16.254 8.730 -0.078 1.00 0.00 C ATOM 532 C LEU A 34 -17.313 9.350 0.860 1.00 0.00 C ATOM 533 O LEU A 34 -17.308 10.562 1.075 1.00 0.00 O ATOM 534 CB LEU A 34 -16.731 8.646 -1.564 1.00 0.00 C ATOM 535 CG LEU A 34 -17.908 7.654 -1.895 1.00 0.00 C ATOM 536 CD1 LEU A 34 -19.306 8.298 -1.720 1.00 0.00 C ATOM 537 CD2 LEU A 34 -17.758 7.038 -3.304 1.00 0.00 C ATOM 0 H LEU A 34 -15.950 6.659 -0.304 1.00 0.00 H new ATOM 0 HA LEU A 34 -15.402 9.408 -0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -17.035 9.645 -1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -15.874 8.367 -2.177 1.00 0.00 H new ATOM 0 HG LEU A 34 -17.836 6.850 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -20.077 7.566 -1.962 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -19.429 8.626 -0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -19.398 9.156 -2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.589 6.359 -3.495 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -17.759 7.832 -4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -16.819 6.487 -3.362 1.00 0.00 H new ATOM 549 N LYS A 35 -18.181 8.497 1.450 1.00 0.00 N ATOM 550 CA LYS A 35 -19.163 8.927 2.464 1.00 0.00 C ATOM 551 C LYS A 35 -18.470 9.543 3.705 1.00 0.00 C ATOM 552 O LYS A 35 -18.847 10.625 4.143 1.00 0.00 O ATOM 553 CB LYS A 35 -20.075 7.733 2.866 1.00 0.00 C ATOM 554 CG LYS A 35 -20.935 7.926 4.144 1.00 0.00 C ATOM 555 CD LYS A 35 -21.892 9.143 4.083 1.00 0.00 C ATOM 556 CE LYS A 35 -22.585 9.397 5.430 1.00 0.00 C ATOM 557 NZ LYS A 35 -23.476 10.583 5.396 1.00 0.00 N ATOM 0 H LYS A 35 -18.219 7.500 1.237 1.00 0.00 H new ATOM 0 HA LYS A 35 -19.784 9.707 2.025 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -20.744 7.517 2.033 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -19.446 6.854 3.006 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -21.522 7.024 4.314 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -20.272 8.041 5.001 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -21.331 10.031 3.790 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -22.645 8.974 3.314 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -23.166 8.518 5.707 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -21.829 9.536 6.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -23.635 10.925 6.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -23.031 11.335 4.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -24.387 10.321 4.967 1.00 0.00 H new ATOM 571 N GLU A 36 -17.460 8.855 4.265 1.00 0.00 N ATOM 572 CA GLU A 36 -16.776 9.330 5.493 1.00 0.00 C ATOM 573 C GLU A 36 -15.861 10.545 5.188 1.00 0.00 C ATOM 574 O GLU A 36 -15.521 11.305 6.100 1.00 0.00 O ATOM 575 CB GLU A 36 -15.974 8.174 6.171 1.00 0.00 C ATOM 576 CG GLU A 36 -14.696 7.743 5.427 1.00 0.00 C ATOM 577 CD GLU A 36 -14.018 6.501 6.017 1.00 0.00 C ATOM 578 OE1 GLU A 36 -14.301 5.379 5.548 1.00 0.00 O ATOM 579 OE2 GLU A 36 -13.201 6.644 6.955 1.00 0.00 O ATOM 0 H GLU A 36 -17.098 7.976 3.896 1.00 0.00 H new ATOM 0 HA GLU A 36 -17.541 9.660 6.196 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -15.702 8.484 7.180 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -16.628 7.308 6.270 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -14.944 7.547 4.384 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.986 8.570 5.436 1.00 0.00 H new ATOM 586 N GLN A 37 -15.481 10.722 3.896 1.00 0.00 N ATOM 587 CA GLN A 37 -14.601 11.825 3.451 1.00 0.00 C ATOM 588 C GLN A 37 -15.390 13.145 3.273 1.00 0.00 C ATOM 589 O GLN A 37 -15.209 14.095 4.047 1.00 0.00 O ATOM 590 CB GLN A 37 -13.872 11.449 2.125 1.00 0.00 C ATOM 591 CG GLN A 37 -12.985 10.194 2.215 1.00 0.00 C ATOM 592 CD GLN A 37 -12.136 9.948 0.968 1.00 0.00 C ATOM 593 OE1 GLN A 37 -12.561 9.272 0.029 1.00 0.00 O ATOM 594 NE2 GLN A 37 -10.923 10.489 0.950 1.00 0.00 N ATOM 0 H GLN A 37 -15.777 10.105 3.139 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.855 11.982 4.230 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -14.619 11.295 1.346 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.255 12.292 1.813 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.327 10.287 3.079 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -13.619 9.324 2.389 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.600 11.044 1.743 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -10.314 10.350 0.143 1.00 0.00 H new ATOM 603 N THR A 38 -16.279 13.186 2.264 1.00 0.00 N ATOM 604 CA THR A 38 -17.010 14.420 1.878 1.00 0.00 C ATOM 605 C THR A 38 -18.368 14.534 2.608 1.00 0.00 C ATOM 606 O THR A 38 -18.955 15.618 2.646 1.00 0.00 O ATOM 607 CB THR A 38 -17.222 14.498 0.325 1.00 0.00 C ATOM 608 OG1 THR A 38 -17.925 15.702 -0.057 1.00 0.00 O ATOM 609 CG2 THR A 38 -17.980 13.278 -0.205 1.00 0.00 C ATOM 0 H THR A 38 -16.514 12.374 1.693 1.00 0.00 H new ATOM 0 HA THR A 38 -16.389 15.262 2.185 1.00 0.00 H new ATOM 0 HB THR A 38 -16.227 14.514 -0.121 1.00 0.00 H new ATOM 0 HG1 THR A 38 -18.435 16.040 0.709 1.00 0.00 H new ATOM 0 HG21 THR A 38 -18.107 13.369 -1.284 1.00 0.00 H new ATOM 0 HG22 THR A 38 -17.415 12.373 0.019 1.00 0.00 H new ATOM 0 HG23 THR A 38 -18.958 13.222 0.272 1.00 0.00 H new ATOM 617 N GLY A 39 -18.870 13.414 3.165 1.00 0.00 N ATOM 618 CA GLY A 39 -20.077 13.432 4.005 1.00 0.00 C ATOM 619 C GLY A 39 -21.364 13.075 3.273 1.00 0.00 C ATOM 620 O GLY A 39 -22.373 12.779 3.924 1.00 0.00 O ATOM 0 H GLY A 39 -18.457 12.489 3.047 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -19.939 12.735 4.831 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -20.186 14.425 4.441 1.00 0.00 H new ATOM 624 N VAL A 40 -21.343 13.101 1.926 1.00 0.00 N ATOM 625 CA VAL A 40 -22.550 12.865 1.111 1.00 0.00 C ATOM 626 C VAL A 40 -22.971 11.359 1.171 1.00 0.00 C ATOM 627 O VAL A 40 -22.122 10.472 0.980 1.00 0.00 O ATOM 628 CB VAL A 40 -22.357 13.363 -0.380 1.00 0.00 C ATOM 629 CG1 VAL A 40 -21.338 12.511 -1.169 1.00 0.00 C ATOM 630 CG2 VAL A 40 -23.712 13.473 -1.121 1.00 0.00 C ATOM 0 H VAL A 40 -20.502 13.283 1.379 1.00 0.00 H new ATOM 0 HA VAL A 40 -23.362 13.456 1.535 1.00 0.00 H new ATOM 0 HB VAL A 40 -21.932 14.365 -0.320 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.247 12.899 -2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -20.367 12.555 -0.675 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -21.680 11.477 -1.206 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -23.542 13.817 -2.141 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -24.195 12.496 -1.144 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -24.355 14.183 -0.601 1.00 0.00 H new ATOM 640 N PRO A 41 -24.273 11.046 1.521 1.00 0.00 N ATOM 641 CA PRO A 41 -24.782 9.651 1.561 1.00 0.00 C ATOM 642 C PRO A 41 -24.733 8.976 0.167 1.00 0.00 C ATOM 643 O PRO A 41 -25.351 9.490 -0.772 1.00 0.00 O ATOM 644 CB PRO A 41 -26.237 9.800 2.093 1.00 0.00 C ATOM 645 CG PRO A 41 -26.608 11.228 1.823 1.00 0.00 C ATOM 646 CD PRO A 41 -25.324 12.018 1.943 1.00 0.00 C ATOM 0 HA PRO A 41 -24.176 9.003 2.194 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -26.915 9.114 1.585 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -26.293 9.573 3.158 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -27.043 11.338 0.830 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -27.352 11.580 2.537 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -25.335 12.900 1.303 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -25.162 12.366 2.963 1.00 0.00 H new ATOM 654 N PRO A 42 -24.016 7.803 0.025 1.00 0.00 N ATOM 655 CA PRO A 42 -23.743 7.156 -1.290 1.00 0.00 C ATOM 656 C PRO A 42 -25.003 6.661 -2.031 1.00 0.00 C ATOM 657 O PRO A 42 -24.919 6.294 -3.203 1.00 0.00 O ATOM 658 CB PRO A 42 -22.808 5.976 -0.923 1.00 0.00 C ATOM 659 CG PRO A 42 -23.106 5.679 0.513 1.00 0.00 C ATOM 660 CD PRO A 42 -23.410 7.018 1.142 1.00 0.00 C ATOM 0 HA PRO A 42 -23.308 7.868 -1.991 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -23.001 5.108 -1.554 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -21.761 6.244 -1.062 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -23.953 4.999 0.607 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -22.257 5.199 1.000 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -24.098 6.919 1.982 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -22.508 7.495 1.524 1.00 0.00 H new ATOM 668 N GLU A 43 -26.156 6.649 -1.336 1.00 0.00 N ATOM 669 CA GLU A 43 -27.467 6.333 -1.946 1.00 0.00 C ATOM 670 C GLU A 43 -27.824 7.351 -3.054 1.00 0.00 C ATOM 671 O GLU A 43 -28.532 7.029 -4.013 1.00 0.00 O ATOM 672 CB GLU A 43 -28.566 6.315 -0.851 1.00 0.00 C ATOM 673 CG GLU A 43 -28.792 7.673 -0.141 1.00 0.00 C ATOM 674 CD GLU A 43 -29.779 7.587 1.030 1.00 0.00 C ATOM 675 OE1 GLU A 43 -30.998 7.760 0.821 1.00 0.00 O ATOM 676 OE2 GLU A 43 -29.337 7.318 2.164 1.00 0.00 O ATOM 0 H GLU A 43 -26.208 6.857 -0.339 1.00 0.00 H new ATOM 0 HA GLU A 43 -27.406 5.347 -2.406 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -29.505 5.996 -1.303 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -28.302 5.568 -0.102 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -27.836 8.048 0.225 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -29.162 8.398 -0.867 1.00 0.00 H new ATOM 683 N GLN A 44 -27.307 8.580 -2.899 1.00 0.00 N ATOM 684 CA GLN A 44 -27.526 9.688 -3.843 1.00 0.00 C ATOM 685 C GLN A 44 -26.451 9.712 -4.942 1.00 0.00 C ATOM 686 O GLN A 44 -26.456 10.622 -5.770 1.00 0.00 O ATOM 687 CB GLN A 44 -27.497 11.044 -3.084 1.00 0.00 C ATOM 688 CG GLN A 44 -28.464 11.145 -1.887 1.00 0.00 C ATOM 689 CD GLN A 44 -28.386 12.485 -1.133 1.00 0.00 C ATOM 690 OE1 GLN A 44 -29.375 12.950 -0.573 1.00 0.00 O ATOM 691 NE2 GLN A 44 -27.214 13.109 -1.091 1.00 0.00 N ATOM 0 H GLN A 44 -26.719 8.835 -2.106 1.00 0.00 H new ATOM 0 HA GLN A 44 -28.500 9.536 -4.309 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -26.482 11.221 -2.727 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -27.731 11.842 -3.789 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -29.484 10.999 -2.243 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -28.250 10.334 -1.190 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -26.404 12.706 -1.563 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -27.124 13.991 -0.587 1.00 0.00 H new ATOM 700 N LEU A 45 -25.510 8.739 -4.929 1.00 0.00 N ATOM 701 CA LEU A 45 -24.349 8.723 -5.852 1.00 0.00 C ATOM 702 C LEU A 45 -24.254 7.413 -6.634 1.00 0.00 C ATOM 703 O LEU A 45 -24.754 6.363 -6.215 1.00 0.00 O ATOM 704 CB LEU A 45 -22.994 8.958 -5.110 1.00 0.00 C ATOM 705 CG LEU A 45 -22.777 10.358 -4.447 1.00 0.00 C ATOM 706 CD1 LEU A 45 -23.122 11.508 -5.418 1.00 0.00 C ATOM 707 CD2 LEU A 45 -23.548 10.482 -3.132 1.00 0.00 C ATOM 0 H LEU A 45 -25.533 7.949 -4.284 1.00 0.00 H new ATOM 0 HA LEU A 45 -24.522 9.546 -6.545 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -22.897 8.198 -4.335 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -22.185 8.792 -5.822 1.00 0.00 H new ATOM 0 HG LEU A 45 -21.716 10.443 -4.211 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -22.959 12.465 -4.922 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -22.485 11.443 -6.300 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -24.167 11.429 -5.719 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -23.374 11.467 -2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -24.614 10.352 -3.321 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -23.207 9.715 -2.437 1.00 0.00 H new ATOM 719 N ARG A 46 -23.578 7.522 -7.782 1.00 0.00 N ATOM 720 CA ARG A 46 -23.167 6.408 -8.629 1.00 0.00 C ATOM 721 C ARG A 46 -21.650 6.533 -8.758 1.00 0.00 C ATOM 722 O ARG A 46 -21.168 7.600 -9.158 1.00 0.00 O ATOM 723 CB ARG A 46 -23.810 6.502 -10.047 1.00 0.00 C ATOM 724 CG ARG A 46 -25.301 6.873 -10.074 1.00 0.00 C ATOM 725 CD ARG A 46 -25.839 7.066 -11.500 1.00 0.00 C ATOM 726 NE ARG A 46 -27.195 7.649 -11.517 1.00 0.00 N ATOM 727 CZ ARG A 46 -28.295 7.089 -12.047 1.00 0.00 C ATOM 728 NH1 ARG A 46 -28.255 5.891 -12.623 1.00 0.00 N ATOM 729 NH2 ARG A 46 -29.445 7.745 -12.009 1.00 0.00 N ATOM 0 H ARG A 46 -23.293 8.426 -8.158 1.00 0.00 H new ATOM 0 HA ARG A 46 -23.481 5.458 -8.196 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -23.259 7.241 -10.628 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -23.683 5.543 -10.549 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -25.875 6.091 -9.577 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -25.453 7.791 -9.506 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -25.161 7.714 -12.056 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -25.854 6.104 -12.013 1.00 0.00 H new ATOM 0 HE ARG A 46 -27.308 8.566 -11.084 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -27.375 5.377 -12.669 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -29.104 5.487 -13.018 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -29.491 8.669 -11.579 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -30.284 7.326 -12.409 1.00 0.00 H new ATOM 743 N VAL A 47 -20.907 5.484 -8.406 1.00 0.00 N ATOM 744 CA VAL A 47 -19.451 5.460 -8.592 1.00 0.00 C ATOM 745 C VAL A 47 -19.164 5.211 -10.085 1.00 0.00 C ATOM 746 O VAL A 47 -19.699 4.269 -10.657 1.00 0.00 O ATOM 747 CB VAL A 47 -18.778 4.373 -7.685 1.00 0.00 C ATOM 748 CG1 VAL A 47 -17.255 4.342 -7.876 1.00 0.00 C ATOM 749 CG2 VAL A 47 -19.125 4.607 -6.197 1.00 0.00 C ATOM 0 H VAL A 47 -21.289 4.635 -7.989 1.00 0.00 H new ATOM 0 HA VAL A 47 -19.022 6.416 -8.291 1.00 0.00 H new ATOM 0 HB VAL A 47 -19.175 3.405 -7.990 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -16.823 3.577 -7.231 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -17.023 4.113 -8.916 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -16.836 5.314 -7.616 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -18.647 3.841 -5.587 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -18.768 5.590 -5.890 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -20.206 4.556 -6.063 1.00 0.00 H new ATOM 759 N ILE A 48 -18.356 6.088 -10.712 1.00 0.00 N ATOM 760 CA ILE A 48 -18.181 6.130 -12.181 1.00 0.00 C ATOM 761 C ILE A 48 -16.682 6.061 -12.547 1.00 0.00 C ATOM 762 O ILE A 48 -15.974 7.073 -12.501 1.00 0.00 O ATOM 763 CB ILE A 48 -18.813 7.442 -12.810 1.00 0.00 C ATOM 764 CG1 ILE A 48 -20.302 7.647 -12.369 1.00 0.00 C ATOM 765 CG2 ILE A 48 -18.694 7.448 -14.355 1.00 0.00 C ATOM 766 CD1 ILE A 48 -21.269 6.563 -12.803 1.00 0.00 C ATOM 0 H ILE A 48 -17.805 6.789 -10.216 1.00 0.00 H new ATOM 0 HA ILE A 48 -18.701 5.265 -12.593 1.00 0.00 H new ATOM 0 HB ILE A 48 -18.236 8.282 -12.423 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -20.333 7.723 -11.282 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -20.651 8.600 -12.765 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -19.138 8.362 -14.751 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -17.643 7.402 -14.639 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -19.218 6.584 -14.764 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -22.270 6.804 -12.445 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -21.278 6.498 -13.891 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -20.955 5.607 -12.385 1.00 0.00 H new ATOM 778 N TYR A 49 -16.204 4.868 -12.918 1.00 0.00 N ATOM 779 CA TYR A 49 -14.815 4.674 -13.365 1.00 0.00 C ATOM 780 C TYR A 49 -14.661 5.111 -14.823 1.00 0.00 C ATOM 781 O TYR A 49 -15.206 4.459 -15.722 1.00 0.00 O ATOM 782 CB TYR A 49 -14.396 3.199 -13.214 1.00 0.00 C ATOM 783 CG TYR A 49 -13.053 2.805 -13.862 1.00 0.00 C ATOM 784 CD1 TYR A 49 -13.011 2.034 -15.028 1.00 0.00 C ATOM 785 CD2 TYR A 49 -11.835 3.198 -13.313 1.00 0.00 C ATOM 786 CE1 TYR A 49 -11.816 1.658 -15.600 1.00 0.00 C ATOM 787 CE2 TYR A 49 -10.644 2.822 -13.888 1.00 0.00 C ATOM 788 CZ TYR A 49 -10.640 2.060 -15.031 1.00 0.00 C ATOM 789 OH TYR A 49 -9.449 1.675 -15.589 1.00 0.00 O ATOM 0 H TYR A 49 -16.762 4.014 -12.918 1.00 0.00 H new ATOM 0 HA TYR A 49 -14.167 5.287 -12.739 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -14.346 2.964 -12.151 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -15.180 2.574 -13.642 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -13.937 1.726 -15.491 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.826 3.808 -12.422 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -11.808 1.050 -16.492 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.710 3.126 -13.440 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.042 0.973 -15.039 1.00 0.00 H new ATOM 799 N ASN A 50 -13.965 6.244 -15.033 1.00 0.00 N ATOM 800 CA ASN A 50 -13.477 6.679 -16.364 1.00 0.00 C ATOM 801 C ASN A 50 -14.648 6.891 -17.382 1.00 0.00 C ATOM 802 O ASN A 50 -14.433 6.955 -18.597 1.00 0.00 O ATOM 803 CB ASN A 50 -12.414 5.638 -16.883 1.00 0.00 C ATOM 804 CG ASN A 50 -11.493 6.175 -17.990 1.00 0.00 C ATOM 805 OD1 ASN A 50 -11.791 6.070 -19.178 1.00 0.00 O ATOM 806 ND2 ASN A 50 -10.362 6.754 -17.612 1.00 0.00 N ATOM 0 H ASN A 50 -13.722 6.890 -14.282 1.00 0.00 H new ATOM 0 HA ASN A 50 -12.998 7.653 -16.267 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -11.801 5.312 -16.043 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -12.937 4.758 -17.257 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.719 7.123 -18.313 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -10.135 6.830 -16.621 1.00 0.00 H new ATOM 813 N GLY A 51 -15.887 7.041 -16.857 1.00 0.00 N ATOM 814 CA GLY A 51 -17.099 7.193 -17.685 1.00 0.00 C ATOM 815 C GLY A 51 -17.985 5.940 -17.732 1.00 0.00 C ATOM 816 O GLY A 51 -18.804 5.800 -18.645 1.00 0.00 O ATOM 0 H GLY A 51 -16.070 7.060 -15.854 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.687 8.027 -17.301 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -16.802 7.454 -18.701 1.00 0.00 H new ATOM 820 N ARG A 52 -17.840 5.042 -16.737 1.00 0.00 N ATOM 821 CA ARG A 52 -18.636 3.792 -16.633 1.00 0.00 C ATOM 822 C ARG A 52 -19.296 3.680 -15.252 1.00 0.00 C ATOM 823 O ARG A 52 -18.624 3.873 -14.239 1.00 0.00 O ATOM 824 CB ARG A 52 -17.740 2.546 -16.882 1.00 0.00 C ATOM 825 CG ARG A 52 -18.452 1.197 -16.629 1.00 0.00 C ATOM 826 CD ARG A 52 -17.596 -0.023 -16.980 1.00 0.00 C ATOM 827 NE ARG A 52 -18.324 -1.273 -16.730 1.00 0.00 N ATOM 828 CZ ARG A 52 -17.859 -2.510 -16.955 1.00 0.00 C ATOM 829 NH1 ARG A 52 -16.647 -2.720 -17.460 1.00 0.00 N ATOM 830 NH2 ARG A 52 -18.629 -3.547 -16.669 1.00 0.00 N ATOM 0 H ARG A 52 -17.168 5.159 -15.979 1.00 0.00 H new ATOM 0 HA ARG A 52 -19.413 3.830 -17.396 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -17.382 2.569 -17.911 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -16.863 2.608 -16.238 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -18.740 1.139 -15.579 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -19.371 1.166 -17.214 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -17.302 0.026 -18.028 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -16.679 -0.009 -16.390 1.00 0.00 H new ATOM 0 HE ARG A 52 -19.268 -1.193 -16.351 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -16.045 -1.929 -17.687 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.319 -3.673 -17.621 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -19.562 -3.399 -16.283 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -18.290 -4.495 -16.834 1.00 0.00 H new ATOM 844 N GLU A 53 -20.596 3.318 -15.229 1.00 0.00 N ATOM 845 CA GLU A 53 -21.363 3.134 -13.985 1.00 0.00 C ATOM 846 C GLU A 53 -20.959 1.809 -13.306 1.00 0.00 C ATOM 847 O GLU A 53 -21.010 0.739 -13.931 1.00 0.00 O ATOM 848 CB GLU A 53 -22.887 3.150 -14.272 1.00 0.00 C ATOM 849 CG GLU A 53 -23.778 3.305 -13.020 1.00 0.00 C ATOM 850 CD GLU A 53 -25.273 3.306 -13.366 1.00 0.00 C ATOM 851 OE1 GLU A 53 -25.876 4.391 -13.465 1.00 0.00 O ATOM 852 OE2 GLU A 53 -25.845 2.220 -13.585 1.00 0.00 O ATOM 0 H GLU A 53 -21.141 3.146 -16.074 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.135 3.960 -13.312 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.105 3.967 -14.960 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.157 2.225 -14.781 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.569 2.492 -12.325 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -23.525 4.234 -12.509 1.00 0.00 H new ATOM 859 N LEU A 54 -20.549 1.899 -12.037 1.00 0.00 N ATOM 860 CA LEU A 54 -20.064 0.755 -11.257 1.00 0.00 C ATOM 861 C LEU A 54 -21.147 0.308 -10.273 1.00 0.00 C ATOM 862 O LEU A 54 -21.566 1.092 -9.405 1.00 0.00 O ATOM 863 CB LEU A 54 -18.767 1.116 -10.480 1.00 0.00 C ATOM 864 CG LEU A 54 -17.631 1.835 -11.280 1.00 0.00 C ATOM 865 CD1 LEU A 54 -16.343 1.917 -10.449 1.00 0.00 C ATOM 866 CD2 LEU A 54 -17.386 1.184 -12.661 1.00 0.00 C ATOM 0 H LEU A 54 -20.544 2.776 -11.517 1.00 0.00 H new ATOM 0 HA LEU A 54 -19.834 -0.057 -11.947 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -19.043 1.752 -9.639 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -18.356 0.197 -10.063 1.00 0.00 H new ATOM 0 HG LEU A 54 -17.965 2.854 -11.477 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.568 2.421 -11.027 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -16.535 2.477 -9.534 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -16.009 0.911 -10.195 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -16.589 1.718 -13.179 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -17.097 0.142 -12.526 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -18.300 1.233 -13.254 1.00 0.00 H new ATOM 878 N GLU A 55 -21.594 -0.940 -10.425 1.00 0.00 N ATOM 879 CA GLU A 55 -22.577 -1.560 -9.532 1.00 0.00 C ATOM 880 C GLU A 55 -21.914 -1.879 -8.180 1.00 0.00 C ATOM 881 O GLU A 55 -20.857 -2.516 -8.169 1.00 0.00 O ATOM 882 CB GLU A 55 -23.144 -2.841 -10.192 1.00 0.00 C ATOM 883 CG GLU A 55 -23.765 -2.589 -11.583 1.00 0.00 C ATOM 884 CD GLU A 55 -25.061 -1.765 -11.509 1.00 0.00 C ATOM 885 OE1 GLU A 55 -25.010 -0.520 -11.616 1.00 0.00 O ATOM 886 OE2 GLU A 55 -26.136 -2.367 -11.316 1.00 0.00 O ATOM 0 H GLU A 55 -21.282 -1.554 -11.177 1.00 0.00 H new ATOM 0 HA GLU A 55 -23.404 -0.872 -9.355 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -22.345 -3.577 -10.286 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -23.900 -3.274 -9.537 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -23.042 -2.068 -12.211 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -23.973 -3.545 -12.063 1.00 0.00 H new ATOM 893 N PRO A 56 -22.537 -1.448 -7.022 1.00 0.00 N ATOM 894 CA PRO A 56 -21.910 -1.538 -5.676 1.00 0.00 C ATOM 895 C PRO A 56 -21.545 -2.990 -5.286 1.00 0.00 C ATOM 896 O PRO A 56 -20.503 -3.238 -4.665 1.00 0.00 O ATOM 897 CB PRO A 56 -22.976 -0.909 -4.728 1.00 0.00 C ATOM 898 CG PRO A 56 -24.271 -0.996 -5.484 1.00 0.00 C ATOM 899 CD PRO A 56 -23.901 -0.851 -6.944 1.00 0.00 C ATOM 0 HA PRO A 56 -20.954 -1.016 -5.627 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -23.033 -1.451 -3.784 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -22.729 0.125 -4.487 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -24.770 -1.947 -5.299 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -24.959 -0.210 -5.174 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -24.605 -1.375 -7.590 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -23.900 0.194 -7.255 1.00 0.00 H new ATOM 907 N ARG A 57 -22.397 -3.929 -5.722 1.00 0.00 N ATOM 908 CA ARG A 57 -22.263 -5.369 -5.440 1.00 0.00 C ATOM 909 C ARG A 57 -20.971 -5.976 -6.049 1.00 0.00 C ATOM 910 O ARG A 57 -20.365 -6.883 -5.466 1.00 0.00 O ATOM 911 CB ARG A 57 -23.516 -6.104 -5.990 1.00 0.00 C ATOM 912 CG ARG A 57 -23.691 -6.016 -7.524 1.00 0.00 C ATOM 913 CD ARG A 57 -24.941 -6.743 -8.046 1.00 0.00 C ATOM 914 NE ARG A 57 -24.940 -6.792 -9.517 1.00 0.00 N ATOM 915 CZ ARG A 57 -25.500 -5.882 -10.331 1.00 0.00 C ATOM 916 NH1 ARG A 57 -26.195 -4.862 -9.843 1.00 0.00 N ATOM 917 NH2 ARG A 57 -25.364 -6.007 -11.647 1.00 0.00 N ATOM 0 H ARG A 57 -23.214 -3.707 -6.291 1.00 0.00 H new ATOM 0 HA ARG A 57 -22.188 -5.499 -4.360 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -23.460 -7.154 -5.703 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -24.403 -5.690 -5.512 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -23.743 -4.967 -7.815 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -22.809 -6.437 -8.006 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -24.973 -7.756 -7.644 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -25.838 -6.232 -7.695 1.00 0.00 H new ATOM 0 HE ARG A 57 -24.474 -7.586 -9.956 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -26.311 -4.760 -8.835 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -26.613 -4.180 -10.476 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -24.837 -6.790 -12.033 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -25.787 -5.320 -12.271 1.00 0.00 H new ATOM 931 N THR A 58 -20.568 -5.443 -7.212 1.00 0.00 N ATOM 932 CA THR A 58 -19.456 -5.971 -8.020 1.00 0.00 C ATOM 933 C THR A 58 -18.096 -5.536 -7.429 1.00 0.00 C ATOM 934 O THR A 58 -18.021 -4.517 -6.738 1.00 0.00 O ATOM 935 CB THR A 58 -19.610 -5.460 -9.485 1.00 0.00 C ATOM 936 OG1 THR A 58 -20.957 -5.688 -9.935 1.00 0.00 O ATOM 937 CG2 THR A 58 -18.627 -6.129 -10.468 1.00 0.00 C ATOM 0 H THR A 58 -21.011 -4.622 -7.624 1.00 0.00 H new ATOM 0 HA THR A 58 -19.485 -7.061 -8.011 1.00 0.00 H new ATOM 0 HB THR A 58 -19.378 -4.395 -9.473 1.00 0.00 H new ATOM 0 HG1 THR A 58 -21.054 -5.365 -10.855 1.00 0.00 H new ATOM 0 HG21 THR A 58 -18.786 -5.730 -11.470 1.00 0.00 H new ATOM 0 HG22 THR A 58 -17.603 -5.925 -10.154 1.00 0.00 H new ATOM 0 HG23 THR A 58 -18.796 -7.206 -10.476 1.00 0.00 H new ATOM 945 N THR A 59 -17.032 -6.321 -7.690 1.00 0.00 N ATOM 946 CA THR A 59 -15.681 -6.036 -7.182 1.00 0.00 C ATOM 947 C THR A 59 -14.896 -5.089 -8.119 1.00 0.00 C ATOM 948 O THR A 59 -15.274 -4.867 -9.278 1.00 0.00 O ATOM 949 CB THR A 59 -14.881 -7.361 -6.928 1.00 0.00 C ATOM 950 OG1 THR A 59 -14.849 -8.166 -8.108 1.00 0.00 O ATOM 951 CG2 THR A 59 -15.498 -8.175 -5.780 1.00 0.00 C ATOM 0 H THR A 59 -17.087 -7.167 -8.257 1.00 0.00 H new ATOM 0 HA THR A 59 -15.801 -5.521 -6.229 1.00 0.00 H new ATOM 0 HB THR A 59 -13.865 -7.077 -6.653 1.00 0.00 H new ATOM 0 HG1 THR A 59 -14.344 -8.987 -7.930 1.00 0.00 H new ATOM 0 HG21 THR A 59 -14.920 -9.087 -5.629 1.00 0.00 H new ATOM 0 HG22 THR A 59 -15.485 -7.582 -4.866 1.00 0.00 H new ATOM 0 HG23 THR A 59 -16.527 -8.434 -6.030 1.00 0.00 H new ATOM 959 N LEU A 60 -13.795 -4.537 -7.571 1.00 0.00 N ATOM 960 CA LEU A 60 -12.948 -3.512 -8.219 1.00 0.00 C ATOM 961 C LEU A 60 -12.228 -4.067 -9.468 1.00 0.00 C ATOM 962 O LEU A 60 -12.205 -3.422 -10.522 1.00 0.00 O ATOM 963 CB LEU A 60 -11.902 -2.972 -7.184 1.00 0.00 C ATOM 964 CG LEU A 60 -12.355 -1.799 -6.249 1.00 0.00 C ATOM 965 CD1 LEU A 60 -13.697 -2.073 -5.560 1.00 0.00 C ATOM 966 CD2 LEU A 60 -11.267 -1.485 -5.203 1.00 0.00 C ATOM 0 H LEU A 60 -13.461 -4.797 -6.643 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.593 -2.699 -8.552 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.591 -3.805 -6.553 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.021 -2.643 -7.735 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.499 -0.928 -6.888 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.960 -1.227 -4.925 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.471 -2.215 -6.314 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.616 -2.972 -4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.602 -0.668 -4.564 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.082 -2.370 -4.594 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.347 -1.195 -5.711 1.00 0.00 H new ATOM 978 N GLU A 61 -11.636 -5.256 -9.304 1.00 0.00 N ATOM 979 CA GLU A 61 -10.882 -5.975 -10.365 1.00 0.00 C ATOM 980 C GLU A 61 -11.693 -6.152 -11.676 1.00 0.00 C ATOM 981 O GLU A 61 -11.127 -6.100 -12.775 1.00 0.00 O ATOM 982 CB GLU A 61 -10.431 -7.350 -9.807 1.00 0.00 C ATOM 983 CG GLU A 61 -11.577 -8.177 -9.186 1.00 0.00 C ATOM 984 CD GLU A 61 -11.103 -9.469 -8.518 1.00 0.00 C ATOM 985 OE1 GLU A 61 -11.254 -10.555 -9.114 1.00 0.00 O ATOM 986 OE2 GLU A 61 -10.570 -9.407 -7.390 1.00 0.00 O ATOM 0 H GLU A 61 -11.662 -5.763 -8.419 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.016 -5.369 -10.633 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.975 -7.926 -10.612 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.661 -7.190 -9.053 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.098 -7.566 -8.449 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.300 -8.423 -9.964 1.00 0.00 H new ATOM 993 N GLU A 62 -13.018 -6.323 -11.532 1.00 0.00 N ATOM 994 CA GLU A 62 -13.955 -6.507 -12.661 1.00 0.00 C ATOM 995 C GLU A 62 -14.067 -5.235 -13.520 1.00 0.00 C ATOM 996 O GLU A 62 -14.276 -5.308 -14.737 1.00 0.00 O ATOM 997 CB GLU A 62 -15.351 -6.902 -12.119 1.00 0.00 C ATOM 998 CG GLU A 62 -15.365 -8.152 -11.223 1.00 0.00 C ATOM 999 CD GLU A 62 -14.922 -9.431 -11.948 1.00 0.00 C ATOM 1000 OE1 GLU A 62 -15.780 -10.110 -12.549 1.00 0.00 O ATOM 1001 OE2 GLU A 62 -13.715 -9.763 -11.922 1.00 0.00 O ATOM 0 H GLU A 62 -13.476 -6.338 -10.621 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.566 -7.303 -13.296 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.757 -6.063 -11.554 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.019 -7.070 -12.964 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.710 -7.984 -10.368 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.372 -8.297 -10.830 1.00 0.00 H new ATOM 1008 N TYR A 63 -13.934 -4.071 -12.861 1.00 0.00 N ATOM 1009 CA TYR A 63 -14.016 -2.749 -13.510 1.00 0.00 C ATOM 1010 C TYR A 63 -12.627 -2.158 -13.798 1.00 0.00 C ATOM 1011 O TYR A 63 -12.546 -1.021 -14.262 1.00 0.00 O ATOM 1012 CB TYR A 63 -14.817 -1.782 -12.611 1.00 0.00 C ATOM 1013 CG TYR A 63 -16.286 -2.171 -12.426 1.00 0.00 C ATOM 1014 CD1 TYR A 63 -17.110 -2.379 -13.530 1.00 0.00 C ATOM 1015 CD2 TYR A 63 -16.854 -2.297 -11.164 1.00 0.00 C ATOM 1016 CE1 TYR A 63 -18.441 -2.687 -13.380 1.00 0.00 C ATOM 1017 CE2 TYR A 63 -18.183 -2.610 -11.013 1.00 0.00 C ATOM 1018 CZ TYR A 63 -18.973 -2.807 -12.123 1.00 0.00 C ATOM 1019 OH TYR A 63 -20.305 -3.112 -11.970 1.00 0.00 O ATOM 0 H TYR A 63 -13.765 -4.020 -11.856 1.00 0.00 H new ATOM 0 HA TYR A 63 -14.521 -2.880 -14.467 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -14.339 -1.733 -11.632 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -14.769 -0.781 -13.039 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -16.695 -2.297 -14.523 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -16.241 -2.146 -10.288 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -19.065 -2.834 -14.249 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -18.608 -2.701 -10.024 1.00 0.00 H new ATOM 0 HH TYR A 63 -20.605 -3.655 -12.728 1.00 0.00 H new ATOM 1029 N ASN A 64 -11.552 -2.930 -13.507 1.00 0.00 N ATOM 1030 CA ASN A 64 -10.146 -2.507 -13.737 1.00 0.00 C ATOM 1031 C ASN A 64 -9.833 -1.244 -12.893 1.00 0.00 C ATOM 1032 O ASN A 64 -9.193 -0.293 -13.362 1.00 0.00 O ATOM 1033 CB ASN A 64 -9.890 -2.289 -15.277 1.00 0.00 C ATOM 1034 CG ASN A 64 -8.416 -2.340 -15.754 1.00 0.00 C ATOM 1035 OD1 ASN A 64 -8.144 -2.777 -16.869 1.00 0.00 O ATOM 1036 ND2 ASN A 64 -7.461 -1.882 -14.964 1.00 0.00 N ATOM 0 H ASN A 64 -11.634 -3.864 -13.106 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.463 -3.291 -13.411 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -10.451 -3.046 -15.825 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.304 -1.320 -15.557 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.491 -1.890 -15.279 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.694 -1.520 -14.039 1.00 0.00 H new ATOM 1043 N ILE A 65 -10.302 -1.252 -11.632 1.00 0.00 N ATOM 1044 CA ILE A 65 -9.993 -0.181 -10.669 1.00 0.00 C ATOM 1045 C ILE A 65 -8.536 -0.364 -10.208 1.00 0.00 C ATOM 1046 O ILE A 65 -8.262 -1.104 -9.265 1.00 0.00 O ATOM 1047 CB ILE A 65 -10.980 -0.185 -9.437 1.00 0.00 C ATOM 1048 CG1 ILE A 65 -12.472 -0.205 -9.902 1.00 0.00 C ATOM 1049 CG2 ILE A 65 -10.718 1.015 -8.493 1.00 0.00 C ATOM 1050 CD1 ILE A 65 -12.905 0.992 -10.709 1.00 0.00 C ATOM 0 H ILE A 65 -10.897 -1.990 -11.256 1.00 0.00 H new ATOM 0 HA ILE A 65 -10.120 0.786 -11.155 1.00 0.00 H new ATOM 0 HB ILE A 65 -10.788 -1.100 -8.876 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -12.640 -1.104 -10.495 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -13.110 -0.281 -9.022 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -11.416 0.979 -7.657 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.697 0.965 -8.116 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -10.857 1.947 -9.042 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -13.954 0.885 -10.984 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -12.776 1.897 -10.115 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -12.298 1.061 -11.612 1.00 0.00 H new ATOM 1062 N THR A 66 -7.621 0.231 -10.977 1.00 0.00 N ATOM 1063 CA THR A 66 -6.166 0.165 -10.753 1.00 0.00 C ATOM 1064 C THR A 66 -5.650 1.473 -10.095 1.00 0.00 C ATOM 1065 O THR A 66 -6.375 2.467 -10.079 1.00 0.00 O ATOM 1066 CB THR A 66 -5.449 -0.121 -12.127 1.00 0.00 C ATOM 1067 OG1 THR A 66 -6.094 0.614 -13.185 1.00 0.00 O ATOM 1068 CG2 THR A 66 -5.433 -1.622 -12.463 1.00 0.00 C ATOM 0 H THR A 66 -7.873 0.787 -11.794 1.00 0.00 H new ATOM 0 HA THR A 66 -5.936 -0.647 -10.063 1.00 0.00 H new ATOM 0 HB THR A 66 -4.414 0.209 -12.033 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.641 0.431 -14.034 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.930 -1.776 -13.418 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.901 -2.164 -11.681 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.457 -1.991 -12.529 1.00 0.00 H new ATOM 1076 N PRO A 67 -4.392 1.505 -9.519 1.00 0.00 N ATOM 1077 CA PRO A 67 -3.884 2.710 -8.826 1.00 0.00 C ATOM 1078 C PRO A 67 -3.622 3.885 -9.799 1.00 0.00 C ATOM 1079 O PRO A 67 -3.026 3.704 -10.865 1.00 0.00 O ATOM 1080 CB PRO A 67 -2.580 2.218 -8.138 1.00 0.00 C ATOM 1081 CG PRO A 67 -2.120 1.057 -8.966 1.00 0.00 C ATOM 1082 CD PRO A 67 -3.382 0.397 -9.490 1.00 0.00 C ATOM 0 HA PRO A 67 -4.606 3.113 -8.116 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.827 3.006 -8.110 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.767 1.918 -7.107 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.483 1.389 -9.786 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.533 0.359 -8.369 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.227 -0.027 -10.482 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.704 -0.418 -8.842 1.00 0.00 H new ATOM 1090 N GLY A 68 -4.107 5.081 -9.418 1.00 0.00 N ATOM 1091 CA GLY A 68 -3.901 6.312 -10.185 1.00 0.00 C ATOM 1092 C GLY A 68 -5.084 6.690 -11.062 1.00 0.00 C ATOM 1093 O GLY A 68 -4.982 7.642 -11.841 1.00 0.00 O ATOM 0 H GLY A 68 -4.653 5.216 -8.567 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.696 7.130 -9.494 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.017 6.195 -10.812 1.00 0.00 H new ATOM 1097 N VAL A 69 -6.220 5.976 -10.929 1.00 0.00 N ATOM 1098 CA VAL A 69 -7.437 6.250 -11.733 1.00 0.00 C ATOM 1099 C VAL A 69 -8.413 7.151 -10.953 1.00 0.00 C ATOM 1100 O VAL A 69 -8.419 7.147 -9.712 1.00 0.00 O ATOM 1101 CB VAL A 69 -8.164 4.924 -12.168 1.00 0.00 C ATOM 1102 CG1 VAL A 69 -7.198 3.992 -12.949 1.00 0.00 C ATOM 1103 CG2 VAL A 69 -8.809 4.191 -10.958 1.00 0.00 C ATOM 0 H VAL A 69 -6.324 5.203 -10.272 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.114 6.768 -12.636 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.977 5.202 -12.838 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.724 3.083 -13.238 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.841 4.504 -13.842 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.350 3.734 -12.315 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.300 3.281 -11.303 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.036 3.934 -10.234 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.544 4.844 -10.487 1.00 0.00 H new ATOM 1113 N THR A 70 -9.229 7.924 -11.688 1.00 0.00 N ATOM 1114 CA THR A 70 -10.229 8.830 -11.100 1.00 0.00 C ATOM 1115 C THR A 70 -11.654 8.301 -11.346 1.00 0.00 C ATOM 1116 O THR A 70 -12.163 8.313 -12.479 1.00 0.00 O ATOM 1117 CB THR A 70 -10.088 10.273 -11.672 1.00 0.00 C ATOM 1118 OG1 THR A 70 -8.731 10.702 -11.527 1.00 0.00 O ATOM 1119 CG2 THR A 70 -11.011 11.286 -10.962 1.00 0.00 C ATOM 0 H THR A 70 -9.214 7.938 -12.708 1.00 0.00 H new ATOM 0 HA THR A 70 -10.049 8.869 -10.026 1.00 0.00 H new ATOM 0 HB THR A 70 -10.382 10.239 -12.721 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.634 11.609 -11.886 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.872 12.274 -11.400 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.050 10.979 -11.083 1.00 0.00 H new ATOM 0 HG23 THR A 70 -10.764 11.322 -9.901 1.00 0.00 H new ATOM 1127 N LEU A 71 -12.249 7.778 -10.280 1.00 0.00 N ATOM 1128 CA LEU A 71 -13.689 7.511 -10.193 1.00 0.00 C ATOM 1129 C LEU A 71 -14.423 8.844 -10.007 1.00 0.00 C ATOM 1130 O LEU A 71 -13.846 9.817 -9.515 1.00 0.00 O ATOM 1131 CB LEU A 71 -13.993 6.545 -9.006 1.00 0.00 C ATOM 1132 CG LEU A 71 -13.713 5.015 -9.234 1.00 0.00 C ATOM 1133 CD1 LEU A 71 -12.377 4.736 -9.953 1.00 0.00 C ATOM 1134 CD2 LEU A 71 -13.760 4.259 -7.890 1.00 0.00 C ATOM 0 H LEU A 71 -11.740 7.521 -9.434 1.00 0.00 H new ATOM 0 HA LEU A 71 -14.032 7.030 -11.109 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.407 6.871 -8.147 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -15.043 6.660 -8.738 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.501 4.652 -9.894 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.248 3.661 -10.077 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.383 5.216 -10.931 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.554 5.134 -9.359 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.565 3.200 -8.061 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.003 4.664 -7.218 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.746 4.378 -7.440 1.00 0.00 H new ATOM 1146 N GLU A 72 -15.688 8.881 -10.409 1.00 0.00 N ATOM 1147 CA GLU A 72 -16.534 10.073 -10.317 1.00 0.00 C ATOM 1148 C GLU A 72 -17.844 9.709 -9.630 1.00 0.00 C ATOM 1149 O GLU A 72 -18.183 8.535 -9.502 1.00 0.00 O ATOM 1150 CB GLU A 72 -16.801 10.677 -11.720 1.00 0.00 C ATOM 1151 CG GLU A 72 -15.544 11.205 -12.444 1.00 0.00 C ATOM 1152 CD GLU A 72 -15.877 11.888 -13.772 1.00 0.00 C ATOM 1153 OE1 GLU A 72 -16.154 13.108 -13.773 1.00 0.00 O ATOM 1154 OE2 GLU A 72 -15.905 11.202 -14.815 1.00 0.00 O ATOM 0 H GLU A 72 -16.165 8.075 -10.814 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.016 10.829 -9.728 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.271 9.917 -12.344 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -17.516 11.494 -11.619 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.025 11.911 -11.796 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.859 10.377 -12.627 1.00 0.00 H new ATOM 1161 N LEU A 73 -18.559 10.723 -9.150 1.00 0.00 N ATOM 1162 CA LEU A 73 -19.871 10.545 -8.519 1.00 0.00 C ATOM 1163 C LEU A 73 -20.919 11.344 -9.283 1.00 0.00 C ATOM 1164 O LEU A 73 -20.817 12.565 -9.408 1.00 0.00 O ATOM 1165 CB LEU A 73 -19.825 10.945 -7.029 1.00 0.00 C ATOM 1166 CG LEU A 73 -18.910 10.056 -6.128 1.00 0.00 C ATOM 1167 CD1 LEU A 73 -18.902 10.550 -4.662 1.00 0.00 C ATOM 1168 CD2 LEU A 73 -19.324 8.563 -6.221 1.00 0.00 C ATOM 0 H LEU A 73 -18.248 11.694 -9.186 1.00 0.00 H new ATOM 0 HA LEU A 73 -20.146 9.491 -8.558 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -19.484 11.978 -6.957 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -20.839 10.915 -6.630 1.00 0.00 H new ATOM 0 HG LEU A 73 -17.890 10.144 -6.502 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -18.255 9.907 -4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -18.530 11.574 -4.625 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -19.915 10.517 -4.261 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -18.672 7.964 -5.585 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -20.357 8.450 -5.890 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -19.235 8.224 -7.253 1.00 0.00 H new ATOM 1180 N LYS A 74 -21.880 10.615 -9.855 1.00 0.00 N ATOM 1181 CA LYS A 74 -23.057 11.175 -10.543 1.00 0.00 C ATOM 1182 C LYS A 74 -24.282 10.934 -9.654 1.00 0.00 C ATOM 1183 O LYS A 74 -24.315 9.941 -8.933 1.00 0.00 O ATOM 1184 CB LYS A 74 -23.225 10.500 -11.943 1.00 0.00 C ATOM 1185 CG LYS A 74 -22.380 11.118 -13.098 1.00 0.00 C ATOM 1186 CD LYS A 74 -20.863 11.245 -12.784 1.00 0.00 C ATOM 1187 CE LYS A 74 -20.035 11.705 -13.990 1.00 0.00 C ATOM 1188 NZ LYS A 74 -20.457 13.035 -14.482 1.00 0.00 N ATOM 0 H LYS A 74 -21.866 9.595 -9.855 1.00 0.00 H new ATOM 0 HA LYS A 74 -22.938 12.245 -10.710 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -22.964 9.446 -11.851 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -24.277 10.545 -12.223 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -22.504 10.506 -13.991 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -22.775 12.107 -13.332 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -20.725 11.952 -11.966 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -20.488 10.281 -12.439 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -18.981 11.739 -13.713 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -20.130 10.975 -14.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -19.838 13.328 -15.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -21.440 12.985 -14.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -20.390 13.728 -13.710 1.00 0.00 H new ATOM 1202 N THR A 75 -25.273 11.835 -9.696 1.00 0.00 N ATOM 1203 CA THR A 75 -26.463 11.727 -8.837 1.00 0.00 C ATOM 1204 C THR A 75 -27.300 10.485 -9.213 1.00 0.00 C ATOM 1205 O THR A 75 -27.781 10.378 -10.346 1.00 0.00 O ATOM 1206 CB THR A 75 -27.359 13.008 -8.897 1.00 0.00 C ATOM 1207 OG1 THR A 75 -27.765 13.271 -10.254 1.00 0.00 O ATOM 1208 CG2 THR A 75 -26.636 14.239 -8.336 1.00 0.00 C ATOM 0 H THR A 75 -25.275 12.646 -10.314 1.00 0.00 H new ATOM 0 HA THR A 75 -26.101 11.623 -7.814 1.00 0.00 H new ATOM 0 HB THR A 75 -28.236 12.817 -8.278 1.00 0.00 H new ATOM 0 HG1 THR A 75 -27.947 12.423 -10.711 1.00 0.00 H new ATOM 0 HG21 THR A 75 -27.294 15.106 -8.397 1.00 0.00 H new ATOM 0 HG22 THR A 75 -26.367 14.060 -7.295 1.00 0.00 H new ATOM 0 HG23 THR A 75 -25.733 14.427 -8.917 1.00 0.00 H new ATOM 1216 N ARG A 76 -27.408 9.533 -8.268 1.00 0.00 N ATOM 1217 CA ARG A 76 -28.255 8.339 -8.404 1.00 0.00 C ATOM 1218 C ARG A 76 -29.715 8.746 -8.188 1.00 0.00 C ATOM 1219 O ARG A 76 -30.272 8.598 -7.095 1.00 0.00 O ATOM 1220 CB ARG A 76 -27.799 7.222 -7.423 1.00 0.00 C ATOM 1221 CG ARG A 76 -28.458 5.844 -7.650 1.00 0.00 C ATOM 1222 CD ARG A 76 -27.828 4.731 -6.790 1.00 0.00 C ATOM 1223 NE ARG A 76 -28.486 3.430 -7.032 1.00 0.00 N ATOM 1224 CZ ARG A 76 -27.903 2.327 -7.524 1.00 0.00 C ATOM 1225 NH1 ARG A 76 -26.612 2.315 -7.848 1.00 0.00 N ATOM 1226 NH2 ARG A 76 -28.628 1.230 -7.698 1.00 0.00 N ATOM 0 H ARG A 76 -26.905 9.574 -7.382 1.00 0.00 H new ATOM 0 HA ARG A 76 -28.157 7.922 -9.406 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -26.718 7.108 -7.503 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -28.011 7.546 -6.404 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -29.522 5.914 -7.423 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -28.373 5.575 -8.703 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -26.765 4.651 -7.016 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -27.911 4.992 -5.735 1.00 0.00 H new ATOM 0 HE ARG A 76 -29.478 3.365 -6.803 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -26.047 3.155 -7.723 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -26.188 1.466 -8.221 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -29.619 1.231 -7.458 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -28.194 0.386 -8.072 1.00 0.00 H new