USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 711 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 LYS NZ :NH3+ 154:sc= -0.0626 (180deg=0) USER MOD Set 1.2: A 42 ASN : amide:sc= -0.354 X(o=-0.42,f=-0.059) USER MOD Set 2.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 17 GLN : amide:sc= -0.504 X(o=-0.5,f=-0.54) USER MOD Single : A 9 LYS NZ :NH3+ -156:sc= -0.103 (180deg=-0.553) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -3.32! C(o=-3.3!,f=-5.3!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 180:sc= -0.397 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot 54:sc= -0.995! USER MOD Single : A 32 SER OG : rot -51:sc= 0.359 USER MOD Single : A 34 ASN : amide:sc= -0.59 K(o=-0.59,f=-2.2!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -30:sc= 1.01 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 49 SER OG : rot 20:sc= 0.964 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0296 K(o=-0.03,f=-1.1) USER MOD Single : A 57 LYS NZ :NH3+ 147:sc= -0.735 (180deg=-2.14!) USER MOD Single : A 61 HIS : no HE2:sc= -4.62! C(o=-4.6!,f=-6.6!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc=0.000134 USER MOD Single : A 76 TYR OH : rot -19:sc= 0.222 USER MOD Single : A 83 TYR OH : rot 180:sc= -0.116 USER MOD Single : A 84 ASN : amide:sc= -0.0326 K(o=-0.033,f=0.54) USER MOD Single : A 86 THR OG1 : rot 33:sc= 0.048 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.547 X(o=-0.55,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -13.498 -1.918 12.177 1.00 0.00 N ATOM 67 CA LEU A 8 -12.183 -2.467 11.865 1.00 0.00 C ATOM 68 C LEU A 8 -11.163 -2.075 12.930 1.00 0.00 C ATOM 69 O LEU A 8 -11.036 -0.902 13.282 1.00 0.00 O ATOM 70 CB LEU A 8 -11.717 -1.978 10.493 1.00 0.00 C ATOM 71 CG LEU A 8 -10.595 -2.786 9.838 1.00 0.00 C ATOM 72 CD1 LEU A 8 -11.102 -4.155 9.412 1.00 0.00 C ATOM 73 CD2 LEU A 8 -10.021 -2.033 8.646 1.00 0.00 C ATOM 0 HA LEU A 8 -12.265 -3.554 11.848 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.575 -1.974 9.820 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.384 -0.945 10.592 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.800 -2.927 10.570 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.290 -4.715 8.948 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -11.464 -4.697 10.286 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.915 -4.035 8.696 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.224 -2.623 8.193 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -10.808 -1.860 7.912 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.619 -1.076 8.979 1.00 0.00 H new ATOM 85 N LYS A 9 -10.436 -3.064 13.438 1.00 0.00 N ATOM 86 CA LYS A 9 -9.424 -2.824 14.460 1.00 0.00 C ATOM 87 C LYS A 9 -8.025 -3.092 13.915 1.00 0.00 C ATOM 88 O LYS A 9 -7.432 -4.135 14.188 1.00 0.00 O ATOM 89 CB LYS A 9 -9.685 -3.707 15.683 1.00 0.00 C ATOM 90 CG LYS A 9 -10.604 -3.069 16.710 1.00 0.00 C ATOM 91 CD LYS A 9 -12.066 -3.281 16.357 1.00 0.00 C ATOM 92 CE LYS A 9 -12.973 -2.990 17.543 1.00 0.00 C ATOM 93 NZ LYS A 9 -12.737 -3.937 18.668 1.00 0.00 N ATOM 0 H LYS A 9 -10.529 -4.041 13.158 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.484 -1.777 14.756 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.122 -4.650 15.353 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.733 -3.945 16.158 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.401 -3.492 17.694 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.395 -2.001 16.773 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.337 -2.634 15.523 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.216 -4.309 16.026 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.805 -1.969 17.886 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -14.014 -3.053 17.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.590 -3.991 19.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.519 -4.880 18.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.937 -3.602 19.242 1.00 0.00 H new ATOM 107 N ILE A 10 -7.504 -2.143 13.144 1.00 0.00 N ATOM 108 CA ILE A 10 -6.174 -2.277 12.563 1.00 0.00 C ATOM 109 C ILE A 10 -5.192 -2.868 13.568 1.00 0.00 C ATOM 110 O ILE A 10 -4.978 -2.311 14.645 1.00 0.00 O ATOM 111 CB ILE A 10 -5.635 -0.920 12.072 1.00 0.00 C ATOM 112 CG1 ILE A 10 -6.581 -0.316 11.033 1.00 0.00 C ATOM 113 CG2 ILE A 10 -4.238 -1.083 11.493 1.00 0.00 C ATOM 114 CD1 ILE A 10 -7.128 -1.330 10.052 1.00 0.00 C ATOM 0 H ILE A 10 -7.982 -1.274 12.908 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.268 -2.951 11.712 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.578 -0.240 12.922 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.413 0.165 11.547 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.053 0.463 10.482 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.871 -0.116 11.150 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.570 -1.474 12.260 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.271 -1.777 10.653 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.791 -0.831 9.345 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.304 -1.794 9.511 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.684 -2.096 10.593 1.00 0.00 H new ATOM 126 N LEU A 11 -4.596 -4.000 13.209 1.00 0.00 N ATOM 127 CA LEU A 11 -3.634 -4.667 14.078 1.00 0.00 C ATOM 128 C LEU A 11 -2.207 -4.252 13.732 1.00 0.00 C ATOM 129 O LEU A 11 -1.515 -3.634 14.542 1.00 0.00 O ATOM 130 CB LEU A 11 -3.778 -6.186 13.961 1.00 0.00 C ATOM 131 CG LEU A 11 -5.205 -6.731 14.017 1.00 0.00 C ATOM 132 CD1 LEU A 11 -5.203 -8.246 13.882 1.00 0.00 C ATOM 133 CD2 LEU A 11 -5.886 -6.310 15.311 1.00 0.00 C ATOM 0 H LEU A 11 -4.762 -4.475 12.322 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.841 -4.366 15.105 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.326 -6.502 13.021 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.202 -6.648 14.763 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.767 -6.313 13.182 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.227 -8.616 13.924 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.755 -8.526 12.929 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.625 -8.683 14.697 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.901 -6.707 15.334 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.325 -6.699 16.161 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.920 -5.222 15.367 1.00 0.00 H new ATOM 145 N THR A 12 -1.774 -4.594 12.523 1.00 0.00 N ATOM 146 CA THR A 12 -0.431 -4.256 12.069 1.00 0.00 C ATOM 147 C THR A 12 -0.475 -3.267 10.910 1.00 0.00 C ATOM 148 O THR A 12 -0.476 -3.646 9.738 1.00 0.00 O ATOM 149 CB THR A 12 0.346 -5.511 11.628 1.00 0.00 C ATOM 150 OG1 THR A 12 0.162 -6.562 12.584 1.00 0.00 O ATOM 151 CG2 THR A 12 1.829 -5.206 11.481 1.00 0.00 C ATOM 0 H THR A 12 -2.334 -5.105 11.840 1.00 0.00 H new ATOM 0 HA THR A 12 0.082 -3.798 12.915 1.00 0.00 H new ATOM 0 HB THR A 12 -0.041 -5.829 10.660 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.658 -7.357 12.296 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.357 -6.107 11.169 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.968 -4.427 10.732 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.227 -4.865 12.437 1.00 0.00 H new ATOM 159 N PRO A 13 -0.512 -1.968 11.241 1.00 0.00 N ATOM 160 CA PRO A 13 -0.555 -0.897 10.241 1.00 0.00 C ATOM 161 C PRO A 13 0.757 -0.765 9.475 1.00 0.00 C ATOM 162 O PRO A 13 1.813 -1.175 9.957 1.00 0.00 O ATOM 163 CB PRO A 13 -0.815 0.359 11.077 1.00 0.00 C ATOM 164 CG PRO A 13 -0.283 0.030 12.429 1.00 0.00 C ATOM 165 CD PRO A 13 -0.513 -1.444 12.617 1.00 0.00 C ATOM 0 HA PRO A 13 -1.311 -1.082 9.478 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.311 1.228 10.654 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.878 0.595 11.117 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.777 0.272 12.501 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.794 0.606 13.200 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.272 -1.899 13.221 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -1.459 -1.642 13.122 1.00 0.00 H new ATOM 173 N LEU A 14 0.683 -0.191 8.279 1.00 0.00 N ATOM 174 CA LEU A 14 1.866 -0.005 7.446 1.00 0.00 C ATOM 175 C LEU A 14 2.973 0.702 8.222 1.00 0.00 C ATOM 176 O LEU A 14 2.768 1.148 9.351 1.00 0.00 O ATOM 177 CB LEU A 14 1.511 0.801 6.195 1.00 0.00 C ATOM 178 CG LEU A 14 0.344 0.269 5.362 1.00 0.00 C ATOM 179 CD1 LEU A 14 -0.373 1.409 4.657 1.00 0.00 C ATOM 180 CD2 LEU A 14 0.835 -0.760 4.354 1.00 0.00 C ATOM 0 H LEU A 14 -0.183 0.153 7.865 1.00 0.00 H new ATOM 0 HA LEU A 14 2.228 -0.989 7.147 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.279 1.822 6.499 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.393 0.851 5.557 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.364 -0.217 6.033 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.200 1.011 4.069 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.758 2.110 5.398 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.325 1.925 3.998 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.008 -1.128 3.770 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.564 -0.298 3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.302 -1.592 4.881 1.00 0.00 H new ATOM 192 N THR A 15 4.148 0.801 7.608 1.00 0.00 N ATOM 193 CA THR A 15 5.288 1.453 8.241 1.00 0.00 C ATOM 194 C THR A 15 6.177 2.131 7.205 1.00 0.00 C ATOM 195 O THR A 15 6.503 1.545 6.172 1.00 0.00 O ATOM 196 CB THR A 15 6.133 0.450 9.048 1.00 0.00 C ATOM 197 OG1 THR A 15 6.394 -0.717 8.260 1.00 0.00 O ATOM 198 CG2 THR A 15 5.420 0.052 10.332 1.00 0.00 C ATOM 0 H THR A 15 4.335 0.438 6.673 1.00 0.00 H new ATOM 0 HA THR A 15 4.885 2.205 8.920 1.00 0.00 H new ATOM 0 HB THR A 15 7.076 0.930 9.308 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.933 -1.349 8.780 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.036 -0.657 10.885 1.00 0.00 H new ATOM 0 HG22 THR A 15 5.249 0.938 10.943 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.464 -0.411 10.089 1.00 0.00 H new ATOM 206 N ASP A 16 6.568 3.369 7.487 1.00 0.00 N ATOM 207 CA ASP A 16 7.422 4.127 6.580 1.00 0.00 C ATOM 208 C ASP A 16 8.473 3.224 5.941 1.00 0.00 C ATOM 209 O ASP A 16 9.153 2.464 6.630 1.00 0.00 O ATOM 210 CB ASP A 16 8.104 5.274 7.327 1.00 0.00 C ATOM 211 CG ASP A 16 8.926 4.791 8.506 1.00 0.00 C ATOM 212 OD1 ASP A 16 10.079 4.363 8.289 1.00 0.00 O ATOM 213 OD2 ASP A 16 8.416 4.839 9.645 1.00 0.00 O ATOM 0 H ASP A 16 6.307 3.869 8.337 1.00 0.00 H new ATOM 0 HA ASP A 16 6.795 4.540 5.790 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.749 5.820 6.638 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.347 5.975 7.679 1.00 0.00 H new ATOM 218 N GLN A 17 8.598 3.313 4.621 1.00 0.00 N ATOM 219 CA GLN A 17 9.565 2.502 3.890 1.00 0.00 C ATOM 220 C GLN A 17 10.383 3.362 2.933 1.00 0.00 C ATOM 221 O GLN A 17 9.835 4.016 2.045 1.00 0.00 O ATOM 222 CB GLN A 17 8.850 1.394 3.114 1.00 0.00 C ATOM 223 CG GLN A 17 8.464 0.201 3.974 1.00 0.00 C ATOM 224 CD GLN A 17 9.592 -0.256 4.878 1.00 0.00 C ATOM 225 OE1 GLN A 17 10.733 -0.403 4.439 1.00 0.00 O ATOM 226 NE2 GLN A 17 9.278 -0.483 6.148 1.00 0.00 N ATOM 0 H GLN A 17 8.043 3.938 4.036 1.00 0.00 H new ATOM 0 HA GLN A 17 10.243 2.050 4.614 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.952 1.806 2.654 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.496 1.054 2.304 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.598 0.462 4.583 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.163 -0.625 3.329 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.319 -0.348 6.468 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.996 -0.792 6.803 1.00 0.00 H new ATOM 235 N THR A 18 11.700 3.358 3.119 1.00 0.00 N ATOM 236 CA THR A 18 12.594 4.138 2.274 1.00 0.00 C ATOM 237 C THR A 18 13.601 3.241 1.562 1.00 0.00 C ATOM 238 O THR A 18 14.184 2.342 2.169 1.00 0.00 O ATOM 239 CB THR A 18 13.356 5.198 3.091 1.00 0.00 C ATOM 240 OG1 THR A 18 12.433 6.001 3.835 1.00 0.00 O ATOM 241 CG2 THR A 18 14.189 6.088 2.180 1.00 0.00 C ATOM 0 H THR A 18 12.170 2.822 3.848 1.00 0.00 H new ATOM 0 HA THR A 18 11.971 4.639 1.533 1.00 0.00 H new ATOM 0 HB THR A 18 14.025 4.681 3.780 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.926 6.671 4.353 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.718 6.829 2.780 1.00 0.00 H new ATOM 0 HG22 THR A 18 14.911 5.478 1.637 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.536 6.595 1.470 1.00 0.00 H new ATOM 249 N VAL A 19 13.801 3.491 0.272 1.00 0.00 N ATOM 250 CA VAL A 19 14.739 2.707 -0.522 1.00 0.00 C ATOM 251 C VAL A 19 15.296 3.526 -1.681 1.00 0.00 C ATOM 252 O VAL A 19 14.775 4.591 -2.009 1.00 0.00 O ATOM 253 CB VAL A 19 14.075 1.434 -1.079 1.00 0.00 C ATOM 254 CG1 VAL A 19 13.764 0.458 0.046 1.00 0.00 C ATOM 255 CG2 VAL A 19 12.815 1.786 -1.854 1.00 0.00 C ATOM 0 H VAL A 19 13.326 4.231 -0.245 1.00 0.00 H new ATOM 0 HA VAL A 19 15.555 2.421 0.142 1.00 0.00 H new ATOM 0 HB VAL A 19 14.772 0.951 -1.764 1.00 0.00 H new ATOM 0 HG11 VAL A 19 13.295 -0.435 -0.367 1.00 0.00 H new ATOM 0 HG12 VAL A 19 14.688 0.181 0.554 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.086 0.928 0.758 1.00 0.00 H new ATOM 0 HG21 VAL A 19 12.359 0.875 -2.240 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.111 2.292 -1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.071 2.444 -2.685 1.00 0.00 H new ATOM 265 N ASN A 20 16.358 3.019 -2.300 1.00 0.00 N ATOM 266 CA ASN A 20 16.986 3.704 -3.424 1.00 0.00 C ATOM 267 C ASN A 20 16.213 3.452 -4.715 1.00 0.00 C ATOM 268 O ASN A 20 15.640 2.379 -4.909 1.00 0.00 O ATOM 269 CB ASN A 20 18.435 3.240 -3.585 1.00 0.00 C ATOM 270 CG ASN A 20 19.318 3.693 -2.438 1.00 0.00 C ATOM 271 OD1 ASN A 20 20.067 4.663 -2.563 1.00 0.00 O ATOM 272 ND2 ASN A 20 19.235 2.991 -1.314 1.00 0.00 N ATOM 0 H ASN A 20 16.801 2.137 -2.042 1.00 0.00 H new ATOM 0 HA ASN A 20 16.975 4.774 -3.218 1.00 0.00 H new ATOM 0 HB2 ASN A 20 18.460 2.152 -3.652 1.00 0.00 H new ATOM 0 HB3 ASN A 20 18.835 3.626 -4.522 1.00 0.00 H new ATOM 0 HD21 ASN A 20 19.806 3.248 -0.509 1.00 0.00 H new ATOM 0 HD22 ASN A 20 18.600 2.195 -1.256 1.00 0.00 H new ATOM 279 N LEU A 21 16.203 4.446 -5.595 1.00 0.00 N ATOM 280 CA LEU A 21 15.502 4.333 -6.869 1.00 0.00 C ATOM 281 C LEU A 21 15.789 2.990 -7.532 1.00 0.00 C ATOM 282 O LEU A 21 16.913 2.491 -7.485 1.00 0.00 O ATOM 283 CB LEU A 21 15.912 5.474 -7.803 1.00 0.00 C ATOM 284 CG LEU A 21 15.198 5.524 -9.154 1.00 0.00 C ATOM 285 CD1 LEU A 21 15.298 6.916 -9.759 1.00 0.00 C ATOM 286 CD2 LEU A 21 15.779 4.486 -10.103 1.00 0.00 C ATOM 0 H LEU A 21 16.672 5.340 -5.450 1.00 0.00 H new ATOM 0 HA LEU A 21 14.432 4.399 -6.673 1.00 0.00 H new ATOM 0 HB2 LEU A 21 15.739 6.419 -7.288 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.984 5.401 -7.984 1.00 0.00 H new ATOM 0 HG LEU A 21 14.145 5.293 -8.995 1.00 0.00 H new ATOM 0 HD11 LEU A 21 14.784 6.933 -10.720 1.00 0.00 H new ATOM 0 HD12 LEU A 21 14.835 7.639 -9.087 1.00 0.00 H new ATOM 0 HD13 LEU A 21 16.347 7.175 -9.904 1.00 0.00 H new ATOM 0 HD21 LEU A 21 15.259 4.536 -11.060 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.840 4.686 -10.256 1.00 0.00 H new ATOM 0 HD23 LEU A 21 15.655 3.491 -9.674 1.00 0.00 H new ATOM 298 N GLY A 22 14.766 2.410 -8.152 1.00 0.00 N ATOM 299 CA GLY A 22 14.929 1.131 -8.817 1.00 0.00 C ATOM 300 C GLY A 22 14.661 -0.041 -7.895 1.00 0.00 C ATOM 301 O GLY A 22 14.229 -1.105 -8.339 1.00 0.00 O ATOM 0 H GLY A 22 13.827 2.804 -8.205 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.252 1.080 -9.670 1.00 0.00 H new ATOM 0 HA3 GLY A 22 15.943 1.056 -9.209 1.00 0.00 H new ATOM 305 N LYS A 23 14.918 0.152 -6.605 1.00 0.00 N ATOM 306 CA LYS A 23 14.702 -0.898 -5.616 1.00 0.00 C ATOM 307 C LYS A 23 13.281 -1.446 -5.706 1.00 0.00 C ATOM 308 O LYS A 23 12.418 -0.853 -6.352 1.00 0.00 O ATOM 309 CB LYS A 23 14.964 -0.361 -4.207 1.00 0.00 C ATOM 310 CG LYS A 23 16.439 -0.289 -3.849 1.00 0.00 C ATOM 311 CD LYS A 23 16.992 -1.657 -3.490 1.00 0.00 C ATOM 312 CE LYS A 23 18.334 -1.547 -2.782 1.00 0.00 C ATOM 313 NZ LYS A 23 18.172 -1.328 -1.318 1.00 0.00 N ATOM 0 H LYS A 23 15.276 1.026 -6.220 1.00 0.00 H new ATOM 0 HA LYS A 23 15.400 -1.709 -5.825 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.528 0.634 -4.120 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.454 -0.997 -3.484 1.00 0.00 H new ATOM 0 HG2 LYS A 23 16.999 0.122 -4.689 1.00 0.00 H new ATOM 0 HG3 LYS A 23 16.578 0.392 -3.010 1.00 0.00 H new ATOM 0 HD2 LYS A 23 16.283 -2.181 -2.849 1.00 0.00 H new ATOM 0 HD3 LYS A 23 17.105 -2.254 -4.395 1.00 0.00 H new ATOM 0 HE2 LYS A 23 18.910 -2.457 -2.952 1.00 0.00 H new ATOM 0 HE3 LYS A 23 18.905 -0.724 -3.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 19.109 -1.258 -0.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.644 -0.447 -1.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.649 -2.126 -0.903 1.00 0.00 H new ATOM 327 N GLU A 24 13.047 -2.580 -5.053 1.00 0.00 N ATOM 328 CA GLU A 24 11.730 -3.206 -5.059 1.00 0.00 C ATOM 329 C GLU A 24 10.982 -2.915 -3.762 1.00 0.00 C ATOM 330 O GLU A 24 11.157 -3.612 -2.762 1.00 0.00 O ATOM 331 CB GLU A 24 11.861 -4.718 -5.257 1.00 0.00 C ATOM 332 CG GLU A 24 10.555 -5.471 -5.071 1.00 0.00 C ATOM 333 CD GLU A 24 10.608 -6.879 -5.631 1.00 0.00 C ATOM 334 OE1 GLU A 24 11.679 -7.515 -5.535 1.00 0.00 O ATOM 335 OE2 GLU A 24 9.581 -7.345 -6.166 1.00 0.00 O ATOM 0 H GLU A 24 13.751 -3.083 -4.514 1.00 0.00 H new ATOM 0 HA GLU A 24 11.160 -2.786 -5.888 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.244 -4.913 -6.259 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.598 -5.106 -4.553 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.314 -5.515 -4.009 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.750 -4.920 -5.558 1.00 0.00 H new ATOM 342 N ILE A 25 10.149 -1.880 -3.785 1.00 0.00 N ATOM 343 CA ILE A 25 9.375 -1.496 -2.611 1.00 0.00 C ATOM 344 C ILE A 25 8.419 -2.609 -2.196 1.00 0.00 C ATOM 345 O ILE A 25 7.811 -3.268 -3.041 1.00 0.00 O ATOM 346 CB ILE A 25 8.567 -0.210 -2.866 1.00 0.00 C ATOM 347 CG1 ILE A 25 9.507 0.952 -3.191 1.00 0.00 C ATOM 348 CG2 ILE A 25 7.705 0.122 -1.657 1.00 0.00 C ATOM 349 CD1 ILE A 25 8.879 2.009 -4.073 1.00 0.00 C ATOM 0 H ILE A 25 9.993 -1.292 -4.604 1.00 0.00 H new ATOM 0 HA ILE A 25 10.089 -1.314 -1.807 1.00 0.00 H new ATOM 0 HB ILE A 25 7.912 -0.373 -3.722 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.835 1.415 -2.260 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.398 0.561 -3.684 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.140 1.033 -1.852 1.00 0.00 H new ATOM 0 HG22 ILE A 25 7.014 -0.699 -1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.342 0.270 -0.785 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.603 2.802 -4.262 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.576 1.560 -5.019 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.005 2.427 -3.574 1.00 0.00 H new ATOM 361 N CYS A 26 8.289 -2.813 -0.890 1.00 0.00 N ATOM 362 CA CYS A 26 7.406 -3.847 -0.361 1.00 0.00 C ATOM 363 C CYS A 26 6.736 -3.382 0.928 1.00 0.00 C ATOM 364 O CYS A 26 7.397 -2.883 1.839 1.00 0.00 O ATOM 365 CB CYS A 26 8.189 -5.135 -0.107 1.00 0.00 C ATOM 366 SG CYS A 26 7.401 -6.258 1.071 1.00 0.00 S ATOM 0 H CYS A 26 8.784 -2.276 -0.178 1.00 0.00 H new ATOM 0 HA CYS A 26 6.631 -4.042 -1.102 1.00 0.00 H new ATOM 0 HB2 CYS A 26 8.326 -5.657 -1.054 1.00 0.00 H new ATOM 0 HB3 CYS A 26 9.182 -4.877 0.262 1.00 0.00 H new ATOM 0 HG CYS A 26 8.137 -7.319 1.218 1.00 0.00 H new ATOM 372 N LEU A 27 5.419 -3.547 0.997 1.00 0.00 N ATOM 373 CA LEU A 27 4.658 -3.143 2.174 1.00 0.00 C ATOM 374 C LEU A 27 3.689 -4.241 2.599 1.00 0.00 C ATOM 375 O LEU A 27 3.051 -4.880 1.761 1.00 0.00 O ATOM 376 CB LEU A 27 3.891 -1.851 1.890 1.00 0.00 C ATOM 377 CG LEU A 27 4.742 -0.607 1.634 1.00 0.00 C ATOM 378 CD1 LEU A 27 3.993 0.379 0.750 1.00 0.00 C ATOM 379 CD2 LEU A 27 5.140 0.048 2.949 1.00 0.00 C ATOM 0 H LEU A 27 4.856 -3.958 0.252 1.00 0.00 H new ATOM 0 HA LEU A 27 5.361 -2.969 2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.252 -2.015 1.022 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.234 -1.649 2.736 1.00 0.00 H new ATOM 0 HG LEU A 27 5.650 -0.912 1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.614 1.258 0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.760 -0.093 -0.205 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.068 0.679 1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.745 0.932 2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.244 0.340 3.496 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.717 -0.658 3.547 1.00 0.00 H new ATOM 391 N LYS A 28 3.581 -4.455 3.906 1.00 0.00 N ATOM 392 CA LYS A 28 2.686 -5.473 4.444 1.00 0.00 C ATOM 393 C LYS A 28 1.926 -4.944 5.656 1.00 0.00 C ATOM 394 O LYS A 28 2.517 -4.352 6.561 1.00 0.00 O ATOM 395 CB LYS A 28 3.479 -6.724 4.832 1.00 0.00 C ATOM 396 CG LYS A 28 2.648 -7.995 4.827 1.00 0.00 C ATOM 397 CD LYS A 28 3.399 -9.155 5.459 1.00 0.00 C ATOM 398 CE LYS A 28 2.518 -10.387 5.586 1.00 0.00 C ATOM 399 NZ LYS A 28 2.285 -11.041 4.269 1.00 0.00 N ATOM 0 H LYS A 28 4.103 -3.937 4.613 1.00 0.00 H new ATOM 0 HA LYS A 28 1.964 -5.733 3.670 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.314 -6.843 4.142 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.904 -6.581 5.826 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.718 -7.825 5.369 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.378 -8.250 3.802 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.275 -9.394 4.856 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.760 -8.862 6.445 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.985 -11.099 6.267 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.561 -10.105 6.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.680 -11.877 4.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.816 -10.371 3.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.196 -11.333 3.860 1.00 0.00 H new ATOM 413 N CYS A 29 0.616 -5.162 5.668 1.00 0.00 N ATOM 414 CA CYS A 29 -0.224 -4.707 6.770 1.00 0.00 C ATOM 415 C CYS A 29 -1.219 -5.789 7.178 1.00 0.00 C ATOM 416 O CYS A 29 -1.488 -6.716 6.415 1.00 0.00 O ATOM 417 CB CYS A 29 -0.972 -3.432 6.376 1.00 0.00 C ATOM 418 SG CYS A 29 -2.414 -3.074 7.407 1.00 0.00 S ATOM 0 H CYS A 29 0.113 -5.651 4.928 1.00 0.00 H new ATOM 0 HA CYS A 29 0.422 -4.492 7.622 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.283 -2.589 6.428 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.293 -3.518 5.338 1.00 0.00 H new ATOM 0 HG CYS A 29 -2.062 -3.068 8.658 1.00 0.00 H new ATOM 424 N GLU A 30 -1.759 -5.664 8.386 1.00 0.00 N ATOM 425 CA GLU A 30 -2.722 -6.634 8.895 1.00 0.00 C ATOM 426 C GLU A 30 -3.951 -5.933 9.465 1.00 0.00 C ATOM 427 O GLU A 30 -3.861 -4.814 9.972 1.00 0.00 O ATOM 428 CB GLU A 30 -2.076 -7.510 9.972 1.00 0.00 C ATOM 429 CG GLU A 30 -2.846 -8.788 10.259 1.00 0.00 C ATOM 430 CD GLU A 30 -2.230 -9.600 11.381 1.00 0.00 C ATOM 431 OE1 GLU A 30 -2.273 -9.139 12.541 1.00 0.00 O ATOM 432 OE2 GLU A 30 -1.706 -10.698 11.099 1.00 0.00 O ATOM 0 H GLU A 30 -1.547 -4.902 9.030 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.038 -7.265 8.064 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.064 -7.768 9.660 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.989 -6.934 10.893 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.874 -8.538 10.519 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.885 -9.395 9.355 1.00 0.00 H new ATOM 439 N ILE A 31 -5.098 -6.597 9.377 1.00 0.00 N ATOM 440 CA ILE A 31 -6.346 -6.038 9.884 1.00 0.00 C ATOM 441 C ILE A 31 -7.195 -7.111 10.557 1.00 0.00 C ATOM 442 O ILE A 31 -6.874 -8.298 10.501 1.00 0.00 O ATOM 443 CB ILE A 31 -7.166 -5.381 8.758 1.00 0.00 C ATOM 444 CG1 ILE A 31 -7.357 -6.360 7.598 1.00 0.00 C ATOM 445 CG2 ILE A 31 -6.483 -4.109 8.278 1.00 0.00 C ATOM 446 CD1 ILE A 31 -8.379 -5.901 6.582 1.00 0.00 C ATOM 0 H ILE A 31 -5.190 -7.523 8.959 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.077 -5.278 10.618 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.148 -5.117 9.151 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.400 -6.509 7.097 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.662 -7.328 7.996 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -7.075 -3.656 7.482 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.395 -3.408 9.108 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.490 -4.350 7.899 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.462 -6.644 5.789 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -9.347 -5.780 7.069 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -8.066 -4.948 6.156 1.00 0.00 H new ATOM 458 N SER A 32 -8.282 -6.684 11.192 1.00 0.00 N ATOM 459 CA SER A 32 -9.178 -7.608 11.879 1.00 0.00 C ATOM 460 C SER A 32 -10.369 -7.966 10.996 1.00 0.00 C ATOM 461 O SER A 32 -11.488 -8.131 11.482 1.00 0.00 O ATOM 462 CB SER A 32 -9.668 -6.995 13.192 1.00 0.00 C ATOM 463 OG SER A 32 -10.309 -7.967 14.000 1.00 0.00 O ATOM 0 H SER A 32 -8.564 -5.705 11.245 1.00 0.00 H new ATOM 0 HA SER A 32 -8.622 -8.520 12.097 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.825 -6.566 13.734 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.360 -6.180 12.981 1.00 0.00 H new ATOM 0 HG SER A 32 -10.989 -8.434 13.472 1.00 0.00 H new ATOM 469 N GLU A 33 -10.120 -8.085 9.695 1.00 0.00 N ATOM 470 CA GLU A 33 -11.172 -8.423 8.744 1.00 0.00 C ATOM 471 C GLU A 33 -10.586 -9.072 7.493 1.00 0.00 C ATOM 472 O GLU A 33 -9.476 -8.748 7.075 1.00 0.00 O ATOM 473 CB GLU A 33 -11.963 -7.171 8.359 1.00 0.00 C ATOM 474 CG GLU A 33 -13.135 -6.884 9.283 1.00 0.00 C ATOM 475 CD GLU A 33 -14.035 -8.088 9.475 1.00 0.00 C ATOM 476 OE1 GLU A 33 -14.317 -8.785 8.478 1.00 0.00 O ATOM 477 OE2 GLU A 33 -14.458 -8.335 10.624 1.00 0.00 O ATOM 0 H GLU A 33 -9.199 -7.952 9.276 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.844 -9.136 9.222 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.291 -6.312 8.360 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -12.334 -7.284 7.340 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.757 -6.559 10.253 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.720 -6.059 8.876 1.00 0.00 H new ATOM 484 N ASN A 34 -11.342 -9.992 6.902 1.00 0.00 N ATOM 485 CA ASN A 34 -10.899 -10.688 5.700 1.00 0.00 C ATOM 486 C ASN A 34 -11.626 -10.162 4.467 1.00 0.00 C ATOM 487 O ASN A 34 -12.224 -10.929 3.712 1.00 0.00 O ATOM 488 CB ASN A 34 -11.135 -12.193 5.841 1.00 0.00 C ATOM 489 CG ASN A 34 -10.368 -12.998 4.810 1.00 0.00 C ATOM 490 OD1 ASN A 34 -10.146 -12.541 3.689 1.00 0.00 O ATOM 491 ND2 ASN A 34 -9.959 -14.205 5.186 1.00 0.00 N ATOM 0 H ASN A 34 -12.264 -10.272 7.236 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.832 -10.504 5.577 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -10.839 -12.512 6.840 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -12.200 -12.402 5.742 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -9.439 -14.793 4.535 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.165 -14.544 6.126 1.00 0.00 H new ATOM 498 N ILE A 35 -11.570 -8.849 4.269 1.00 0.00 N ATOM 499 CA ILE A 35 -12.222 -8.221 3.127 1.00 0.00 C ATOM 500 C ILE A 35 -11.205 -7.524 2.229 1.00 0.00 C ATOM 501 O ILE A 35 -10.219 -6.951 2.693 1.00 0.00 O ATOM 502 CB ILE A 35 -13.281 -7.196 3.576 1.00 0.00 C ATOM 503 CG1 ILE A 35 -12.627 -6.078 4.390 1.00 0.00 C ATOM 504 CG2 ILE A 35 -14.370 -7.882 4.387 1.00 0.00 C ATOM 505 CD1 ILE A 35 -12.154 -4.914 3.548 1.00 0.00 C ATOM 0 H ILE A 35 -11.080 -8.200 4.885 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.713 -9.017 2.567 1.00 0.00 H new ATOM 0 HB ILE A 35 -13.738 -6.755 2.690 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -13.340 -5.714 5.130 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.779 -6.488 4.938 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -15.111 -7.145 4.697 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.851 -8.646 3.777 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.929 -8.347 5.269 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.701 -4.160 4.192 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -11.417 -5.264 2.825 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -13.002 -4.478 3.020 1.00 0.00 H new ATOM 517 N PRO A 36 -11.450 -7.571 0.911 1.00 0.00 N ATOM 518 CA PRO A 36 -10.568 -6.947 -0.081 1.00 0.00 C ATOM 519 C PRO A 36 -10.620 -5.424 -0.026 1.00 0.00 C ATOM 520 O PRO A 36 -11.689 -4.835 0.135 1.00 0.00 O ATOM 521 CB PRO A 36 -11.121 -7.453 -1.415 1.00 0.00 C ATOM 522 CG PRO A 36 -12.552 -7.763 -1.140 1.00 0.00 C ATOM 523 CD PRO A 36 -12.606 -8.236 0.287 1.00 0.00 C ATOM 0 HA PRO A 36 -9.521 -7.202 0.086 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.022 -6.699 -2.196 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.583 -8.337 -1.756 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.177 -6.881 -1.283 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -12.923 -8.530 -1.820 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.541 -7.952 0.769 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.530 -9.321 0.354 1.00 0.00 H new ATOM 531 N GLY A 37 -9.459 -4.791 -0.161 1.00 0.00 N ATOM 532 CA GLY A 37 -9.395 -3.342 -0.124 1.00 0.00 C ATOM 533 C GLY A 37 -8.505 -2.773 -1.211 1.00 0.00 C ATOM 534 O GLY A 37 -7.768 -3.508 -1.869 1.00 0.00 O ATOM 0 H GLY A 37 -8.561 -5.256 -0.295 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.400 -2.934 -0.231 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.024 -3.023 0.850 1.00 0.00 H new ATOM 538 N LYS A 38 -8.573 -1.460 -1.403 1.00 0.00 N ATOM 539 CA LYS A 38 -7.767 -0.791 -2.418 1.00 0.00 C ATOM 540 C LYS A 38 -6.832 0.233 -1.783 1.00 0.00 C ATOM 541 O LYS A 38 -7.061 0.684 -0.661 1.00 0.00 O ATOM 542 CB LYS A 38 -8.671 -0.105 -3.444 1.00 0.00 C ATOM 543 CG LYS A 38 -9.146 -1.030 -4.551 1.00 0.00 C ATOM 544 CD LYS A 38 -9.920 -0.272 -5.617 1.00 0.00 C ATOM 545 CE LYS A 38 -11.388 -0.128 -5.244 1.00 0.00 C ATOM 546 NZ LYS A 38 -12.079 0.883 -6.091 1.00 0.00 N ATOM 0 H LYS A 38 -9.179 -0.837 -0.868 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.162 -1.545 -2.922 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.539 0.310 -2.931 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.133 0.732 -3.888 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.288 -1.525 -5.006 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.777 -1.811 -4.128 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.480 0.716 -5.754 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.835 -0.794 -6.570 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.886 -1.092 -5.350 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.470 0.159 -4.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.077 0.951 -5.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.620 1.809 -5.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.023 0.596 -7.089 1.00 0.00 H new ATOM 560 N TRP A 39 -5.780 0.595 -2.507 1.00 0.00 N ATOM 561 CA TRP A 39 -4.811 1.567 -2.014 1.00 0.00 C ATOM 562 C TRP A 39 -4.957 2.899 -2.742 1.00 0.00 C ATOM 563 O TRP A 39 -5.622 2.984 -3.776 1.00 0.00 O ATOM 564 CB TRP A 39 -3.388 1.032 -2.186 1.00 0.00 C ATOM 565 CG TRP A 39 -3.155 -0.272 -1.485 1.00 0.00 C ATOM 566 CD1 TRP A 39 -3.876 -1.423 -1.634 1.00 0.00 C ATOM 567 CD2 TRP A 39 -2.134 -0.558 -0.524 1.00 0.00 C ATOM 568 NE1 TRP A 39 -3.364 -2.407 -0.823 1.00 0.00 N ATOM 569 CE2 TRP A 39 -2.294 -1.902 -0.133 1.00 0.00 C ATOM 570 CE3 TRP A 39 -1.098 0.189 0.043 1.00 0.00 C ATOM 571 CZ2 TRP A 39 -1.458 -2.510 0.799 1.00 0.00 C ATOM 572 CZ3 TRP A 39 -0.269 -0.416 0.969 1.00 0.00 C ATOM 573 CH2 TRP A 39 -0.452 -1.755 1.339 1.00 0.00 C ATOM 0 H TRP A 39 -5.576 0.230 -3.437 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.005 1.730 -0.954 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -3.180 0.907 -3.249 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -2.682 1.771 -1.808 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.724 -1.542 -2.292 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.723 -3.359 -0.747 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.948 1.221 -0.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.598 -3.542 1.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 0.533 0.153 1.415 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.213 -2.200 2.064 1.00 0.00 H new ATOM 584 N THR A 40 -4.333 3.938 -2.197 1.00 0.00 N ATOM 585 CA THR A 40 -4.395 5.266 -2.794 1.00 0.00 C ATOM 586 C THR A 40 -3.105 6.040 -2.549 1.00 0.00 C ATOM 587 O THR A 40 -2.592 6.075 -1.430 1.00 0.00 O ATOM 588 CB THR A 40 -5.580 6.078 -2.238 1.00 0.00 C ATOM 589 OG1 THR A 40 -5.478 6.180 -0.814 1.00 0.00 O ATOM 590 CG2 THR A 40 -6.904 5.427 -2.611 1.00 0.00 C ATOM 0 H THR A 40 -3.778 3.885 -1.343 1.00 0.00 H new ATOM 0 HA THR A 40 -4.533 5.124 -3.866 1.00 0.00 H new ATOM 0 HB THR A 40 -5.547 7.075 -2.677 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.024 5.387 -0.461 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.726 6.018 -2.208 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.992 5.376 -3.696 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.944 4.420 -2.197 1.00 0.00 H new ATOM 598 N LYS A 41 -2.584 6.661 -3.602 1.00 0.00 N ATOM 599 CA LYS A 41 -1.354 7.438 -3.501 1.00 0.00 C ATOM 600 C LYS A 41 -1.622 8.918 -3.752 1.00 0.00 C ATOM 601 O LYS A 41 -2.434 9.275 -4.605 1.00 0.00 O ATOM 602 CB LYS A 41 -0.317 6.920 -4.501 1.00 0.00 C ATOM 603 CG LYS A 41 0.838 7.879 -4.730 1.00 0.00 C ATOM 604 CD LYS A 41 1.955 7.227 -5.529 1.00 0.00 C ATOM 605 CE LYS A 41 2.990 8.248 -5.976 1.00 0.00 C ATOM 606 NZ LYS A 41 2.533 9.017 -7.166 1.00 0.00 N ATOM 0 H LYS A 41 -2.995 6.641 -4.536 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.964 7.325 -2.489 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.077 5.969 -4.143 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.809 6.723 -5.453 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.479 8.762 -5.258 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.226 8.218 -3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.437 6.460 -4.923 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.535 6.727 -6.402 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.198 8.936 -5.157 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.925 7.739 -6.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.003 9.945 -7.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.773 8.493 -8.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.503 9.152 -7.118 1.00 0.00 H new ATOM 620 N ASN A 42 -0.935 9.775 -3.004 1.00 0.00 N ATOM 621 CA ASN A 42 -1.099 11.217 -3.146 1.00 0.00 C ATOM 622 C ASN A 42 -2.563 11.577 -3.386 1.00 0.00 C ATOM 623 O ASN A 42 -2.870 12.507 -4.129 1.00 0.00 O ATOM 624 CB ASN A 42 -0.239 11.738 -4.299 1.00 0.00 C ATOM 625 CG ASN A 42 1.227 11.842 -3.925 1.00 0.00 C ATOM 626 OD1 ASN A 42 1.587 12.513 -2.958 1.00 0.00 O ATOM 627 ND2 ASN A 42 2.082 11.176 -4.693 1.00 0.00 N ATOM 0 H ASN A 42 -0.259 9.496 -2.293 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.775 11.688 -2.218 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.346 11.075 -5.157 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.603 12.718 -4.606 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.081 11.208 -4.491 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.739 10.632 -5.485 1.00 0.00 H new ATOM 634 N GLY A 43 -3.461 10.832 -2.749 1.00 0.00 N ATOM 635 CA GLY A 43 -4.881 11.088 -2.905 1.00 0.00 C ATOM 636 C GLY A 43 -5.395 10.688 -4.274 1.00 0.00 C ATOM 637 O GLY A 43 -6.073 11.469 -4.944 1.00 0.00 O ATOM 0 H GLY A 43 -3.231 10.056 -2.128 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.432 10.542 -2.139 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.076 12.148 -2.742 1.00 0.00 H new ATOM 641 N LEU A 44 -5.072 9.470 -4.693 1.00 0.00 N ATOM 642 CA LEU A 44 -5.504 8.968 -5.993 1.00 0.00 C ATOM 643 C LEU A 44 -5.551 7.443 -6.000 1.00 0.00 C ATOM 644 O LEU A 44 -4.759 6.771 -5.340 1.00 0.00 O ATOM 645 CB LEU A 44 -4.564 9.466 -7.092 1.00 0.00 C ATOM 646 CG LEU A 44 -3.359 8.577 -7.398 1.00 0.00 C ATOM 647 CD1 LEU A 44 -3.735 7.491 -8.394 1.00 0.00 C ATOM 648 CD2 LEU A 44 -2.201 9.411 -7.928 1.00 0.00 C ATOM 0 H LEU A 44 -4.512 8.811 -4.152 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.509 9.345 -6.185 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.142 9.589 -8.008 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.199 10.454 -6.810 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.042 8.098 -6.472 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.864 6.868 -8.599 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.532 6.875 -7.977 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.079 7.950 -9.321 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.352 8.761 -8.140 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.507 9.919 -8.843 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.914 10.151 -7.181 1.00 0.00 H new ATOM 660 N PRO A 45 -6.500 6.884 -6.765 1.00 0.00 N ATOM 661 CA PRO A 45 -6.671 5.432 -6.879 1.00 0.00 C ATOM 662 C PRO A 45 -5.528 4.772 -7.643 1.00 0.00 C ATOM 663 O PRO A 45 -5.533 4.728 -8.873 1.00 0.00 O ATOM 664 CB PRO A 45 -7.984 5.289 -7.653 1.00 0.00 C ATOM 665 CG PRO A 45 -8.105 6.555 -8.430 1.00 0.00 C ATOM 666 CD PRO A 45 -7.478 7.625 -7.579 1.00 0.00 C ATOM 0 HA PRO A 45 -6.680 4.945 -5.904 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.963 4.421 -8.312 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.829 5.156 -6.978 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.597 6.473 -9.391 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -9.149 6.786 -8.640 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.997 8.391 -8.187 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.218 8.129 -6.958 1.00 0.00 H new ATOM 674 N VAL A 46 -4.548 4.258 -6.905 1.00 0.00 N ATOM 675 CA VAL A 46 -3.399 3.599 -7.513 1.00 0.00 C ATOM 676 C VAL A 46 -3.840 2.565 -8.543 1.00 0.00 C ATOM 677 O VAL A 46 -4.516 1.593 -8.210 1.00 0.00 O ATOM 678 CB VAL A 46 -2.522 2.908 -6.451 1.00 0.00 C ATOM 679 CG1 VAL A 46 -1.371 2.164 -7.111 1.00 0.00 C ATOM 680 CG2 VAL A 46 -2.004 3.924 -5.445 1.00 0.00 C ATOM 0 H VAL A 46 -4.528 4.286 -5.886 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.814 4.374 -8.008 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.134 2.181 -5.916 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.763 1.682 -6.346 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.767 1.408 -7.788 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.757 2.868 -7.673 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.387 3.419 -4.702 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.408 4.676 -5.962 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.846 4.407 -4.949 1.00 0.00 H new ATOM 690 N GLN A 47 -3.452 2.783 -9.796 1.00 0.00 N ATOM 691 CA GLN A 47 -3.807 1.870 -10.875 1.00 0.00 C ATOM 692 C GLN A 47 -2.948 0.611 -10.829 1.00 0.00 C ATOM 693 O GLN A 47 -1.733 0.671 -11.012 1.00 0.00 O ATOM 694 CB GLN A 47 -3.647 2.562 -12.230 1.00 0.00 C ATOM 695 CG GLN A 47 -3.992 1.671 -13.413 1.00 0.00 C ATOM 696 CD GLN A 47 -5.479 1.394 -13.521 1.00 0.00 C ATOM 697 OE1 GLN A 47 -6.299 2.310 -13.449 1.00 0.00 O ATOM 698 NE2 GLN A 47 -5.834 0.127 -13.694 1.00 0.00 N ATOM 0 H GLN A 47 -2.892 3.584 -10.088 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.850 1.580 -10.743 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.283 3.447 -12.254 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.618 2.907 -12.333 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.647 2.144 -14.332 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.456 0.726 -13.320 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.120 -0.600 -13.748 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.820 -0.120 -13.773 1.00 0.00 H new ATOM 707 N GLU A 48 -3.588 -0.528 -10.582 1.00 0.00 N ATOM 708 CA GLU A 48 -2.881 -1.801 -10.510 1.00 0.00 C ATOM 709 C GLU A 48 -2.404 -2.237 -11.892 1.00 0.00 C ATOM 710 O GLU A 48 -3.048 -1.951 -12.902 1.00 0.00 O ATOM 711 CB GLU A 48 -3.785 -2.878 -9.907 1.00 0.00 C ATOM 712 CG GLU A 48 -4.143 -2.628 -8.452 1.00 0.00 C ATOM 713 CD GLU A 48 -5.030 -3.713 -7.874 1.00 0.00 C ATOM 714 OE1 GLU A 48 -4.788 -4.901 -8.175 1.00 0.00 O ATOM 715 OE2 GLU A 48 -5.966 -3.375 -7.120 1.00 0.00 O ATOM 0 H GLU A 48 -4.594 -0.595 -10.429 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.009 -1.668 -9.869 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.702 -2.940 -10.493 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.288 -3.845 -9.989 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.228 -2.560 -7.863 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.649 -1.666 -8.366 1.00 0.00 H new ATOM 722 N SER A 49 -1.270 -2.930 -11.930 1.00 0.00 N ATOM 723 CA SER A 49 -0.704 -3.401 -13.188 1.00 0.00 C ATOM 724 C SER A 49 0.274 -4.548 -12.947 1.00 0.00 C ATOM 725 O SER A 49 0.632 -4.844 -11.807 1.00 0.00 O ATOM 726 CB SER A 49 0.005 -2.256 -13.914 1.00 0.00 C ATOM 727 OG SER A 49 -0.929 -1.404 -14.555 1.00 0.00 O ATOM 0 H SER A 49 -0.726 -3.177 -11.104 1.00 0.00 H new ATOM 0 HA SER A 49 -1.520 -3.766 -13.811 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.598 -1.681 -13.202 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.698 -2.662 -14.651 1.00 0.00 H new ATOM 0 HG SER A 49 -1.815 -1.531 -14.156 1.00 0.00 H new ATOM 733 N ASP A 50 0.701 -5.190 -14.029 1.00 0.00 N ATOM 734 CA ASP A 50 1.638 -6.303 -13.937 1.00 0.00 C ATOM 735 C ASP A 50 2.705 -6.030 -12.882 1.00 0.00 C ATOM 736 O ASP A 50 2.997 -6.884 -12.045 1.00 0.00 O ATOM 737 CB ASP A 50 2.297 -6.556 -15.294 1.00 0.00 C ATOM 738 CG ASP A 50 1.296 -6.557 -16.433 1.00 0.00 C ATOM 739 OD1 ASP A 50 0.325 -7.340 -16.368 1.00 0.00 O ATOM 740 OD2 ASP A 50 1.484 -5.775 -17.387 1.00 0.00 O ATOM 0 H ASP A 50 0.413 -4.959 -14.980 1.00 0.00 H new ATOM 0 HA ASP A 50 1.080 -7.192 -13.641 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.050 -5.790 -15.477 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.816 -7.514 -15.270 1.00 0.00 H new ATOM 745 N ARG A 51 3.285 -4.835 -12.929 1.00 0.00 N ATOM 746 CA ARG A 51 4.321 -4.450 -11.979 1.00 0.00 C ATOM 747 C ARG A 51 3.735 -4.258 -10.584 1.00 0.00 C ATOM 748 O ARG A 51 4.189 -4.873 -9.618 1.00 0.00 O ATOM 749 CB ARG A 51 5.010 -3.163 -12.437 1.00 0.00 C ATOM 750 CG ARG A 51 6.150 -3.397 -13.414 1.00 0.00 C ATOM 751 CD ARG A 51 6.745 -2.084 -13.900 1.00 0.00 C ATOM 752 NE ARG A 51 7.187 -1.241 -12.793 1.00 0.00 N ATOM 753 CZ ARG A 51 7.707 -0.029 -12.954 1.00 0.00 C ATOM 754 NH1 ARG A 51 7.850 0.478 -14.171 1.00 0.00 N ATOM 755 NH2 ARG A 51 8.086 0.678 -11.897 1.00 0.00 N ATOM 0 H ARG A 51 3.055 -4.117 -13.615 1.00 0.00 H new ATOM 0 HA ARG A 51 5.057 -5.253 -11.937 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.271 -2.512 -12.903 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.394 -2.636 -11.564 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.926 -3.994 -12.934 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.788 -3.971 -14.267 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.589 -2.290 -14.558 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.003 -1.547 -14.491 1.00 0.00 H new ATOM 0 HE ARG A 51 7.091 -1.602 -11.844 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.560 -0.063 -14.986 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.249 1.409 -14.292 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.978 0.291 -10.959 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.485 1.608 -12.022 1.00 0.00 H new ATOM 769 N LEU A 52 2.726 -3.400 -10.485 1.00 0.00 N ATOM 770 CA LEU A 52 2.077 -3.126 -9.207 1.00 0.00 C ATOM 771 C LEU A 52 0.909 -4.079 -8.974 1.00 0.00 C ATOM 772 O LEU A 52 -0.179 -3.890 -9.519 1.00 0.00 O ATOM 773 CB LEU A 52 1.586 -1.678 -9.162 1.00 0.00 C ATOM 774 CG LEU A 52 1.411 -1.072 -7.770 1.00 0.00 C ATOM 775 CD1 LEU A 52 1.414 0.447 -7.845 1.00 0.00 C ATOM 776 CD2 LEU A 52 0.125 -1.572 -7.128 1.00 0.00 C ATOM 0 H LEU A 52 2.339 -2.882 -11.274 1.00 0.00 H new ATOM 0 HA LEU A 52 2.810 -3.279 -8.415 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.289 -1.060 -9.720 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.630 -1.623 -9.683 1.00 0.00 H new ATOM 0 HG LEU A 52 2.250 -1.387 -7.150 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.288 0.861 -6.845 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.361 0.789 -8.263 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.595 0.781 -8.482 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.017 -1.130 -6.137 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.726 -1.287 -7.747 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.161 -2.658 -7.039 1.00 0.00 H new ATOM 788 N LYS A 53 1.140 -5.101 -8.158 1.00 0.00 N ATOM 789 CA LYS A 53 0.107 -6.083 -7.848 1.00 0.00 C ATOM 790 C LYS A 53 -0.251 -6.046 -6.366 1.00 0.00 C ATOM 791 O LYS A 53 0.616 -5.862 -5.512 1.00 0.00 O ATOM 792 CB LYS A 53 0.575 -7.487 -8.236 1.00 0.00 C ATOM 793 CG LYS A 53 -0.563 -8.470 -8.452 1.00 0.00 C ATOM 794 CD LYS A 53 -1.238 -8.256 -9.796 1.00 0.00 C ATOM 795 CE LYS A 53 -2.571 -8.984 -9.872 1.00 0.00 C ATOM 796 NZ LYS A 53 -3.294 -8.685 -11.139 1.00 0.00 N ATOM 0 H LYS A 53 2.035 -5.272 -7.699 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.783 -5.832 -8.425 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.168 -7.424 -9.149 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.232 -7.871 -7.455 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.180 -9.489 -8.394 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.297 -8.359 -7.654 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.395 -7.190 -9.960 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.584 -8.609 -10.593 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.403 -10.058 -9.794 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.191 -8.696 -9.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.198 -9.200 -11.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.477 -7.663 -11.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.713 -8.983 -11.949 1.00 0.00 H new ATOM 810 N VAL A 54 -1.534 -6.224 -6.067 1.00 0.00 N ATOM 811 CA VAL A 54 -2.006 -6.215 -4.687 1.00 0.00 C ATOM 812 C VAL A 54 -2.412 -7.613 -4.236 1.00 0.00 C ATOM 813 O VAL A 54 -3.515 -8.076 -4.527 1.00 0.00 O ATOM 814 CB VAL A 54 -3.204 -5.262 -4.511 1.00 0.00 C ATOM 815 CG1 VAL A 54 -3.734 -5.329 -3.086 1.00 0.00 C ATOM 816 CG2 VAL A 54 -2.811 -3.839 -4.876 1.00 0.00 C ATOM 0 H VAL A 54 -2.265 -6.376 -6.762 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.178 -5.864 -4.071 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.000 -5.578 -5.185 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.580 -4.650 -2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.056 -6.347 -2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.946 -5.039 -2.391 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.669 -3.180 -4.746 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.998 -3.509 -4.229 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.483 -3.807 -5.915 1.00 0.00 H new ATOM 826 N VAL A 55 -1.513 -8.282 -3.520 1.00 0.00 N ATOM 827 CA VAL A 55 -1.778 -9.628 -3.026 1.00 0.00 C ATOM 828 C VAL A 55 -2.258 -9.598 -1.580 1.00 0.00 C ATOM 829 O VAL A 55 -1.760 -8.820 -0.767 1.00 0.00 O ATOM 830 CB VAL A 55 -0.523 -10.517 -3.120 1.00 0.00 C ATOM 831 CG1 VAL A 55 -0.804 -11.899 -2.550 1.00 0.00 C ATOM 832 CG2 VAL A 55 -0.045 -10.613 -4.561 1.00 0.00 C ATOM 0 H VAL A 55 -0.595 -7.914 -3.269 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.561 -10.048 -3.657 1.00 0.00 H new ATOM 0 HB VAL A 55 0.270 -10.060 -2.528 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.094 -12.513 -2.625 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.096 -11.809 -1.504 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.612 -12.367 -3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.842 -11.245 -4.609 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.833 -11.046 -5.177 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.198 -9.617 -4.931 1.00 0.00 H new ATOM 842 N GLN A 56 -3.229 -10.450 -1.266 1.00 0.00 N ATOM 843 CA GLN A 56 -3.778 -10.520 0.083 1.00 0.00 C ATOM 844 C GLN A 56 -3.480 -11.872 0.722 1.00 0.00 C ATOM 845 O GLN A 56 -3.533 -12.909 0.060 1.00 0.00 O ATOM 846 CB GLN A 56 -5.287 -10.277 0.056 1.00 0.00 C ATOM 847 CG GLN A 56 -5.938 -10.338 1.428 1.00 0.00 C ATOM 848 CD GLN A 56 -7.450 -10.424 1.354 1.00 0.00 C ATOM 849 OE1 GLN A 56 -8.005 -11.026 0.434 1.00 0.00 O ATOM 850 NE2 GLN A 56 -8.126 -9.821 2.325 1.00 0.00 N ATOM 0 H GLN A 56 -3.652 -11.101 -1.928 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.303 -9.743 0.682 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.481 -9.300 -0.386 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.754 -11.018 -0.592 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.555 -11.203 1.969 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.656 -9.454 1.999 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.626 -9.333 3.068 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.146 -9.845 2.328 1.00 0.00 H new ATOM 859 N LYS A 57 -3.165 -11.855 2.013 1.00 0.00 N ATOM 860 CA LYS A 57 -2.859 -13.079 2.743 1.00 0.00 C ATOM 861 C LYS A 57 -3.656 -13.152 4.041 1.00 0.00 C ATOM 862 O LYS A 57 -3.240 -12.617 5.068 1.00 0.00 O ATOM 863 CB LYS A 57 -1.361 -13.155 3.047 1.00 0.00 C ATOM 864 CG LYS A 57 -0.485 -13.084 1.808 1.00 0.00 C ATOM 865 CD LYS A 57 -0.317 -14.450 1.164 1.00 0.00 C ATOM 866 CE LYS A 57 0.821 -15.231 1.803 1.00 0.00 C ATOM 867 NZ LYS A 57 0.398 -15.894 3.068 1.00 0.00 N ATOM 0 H LYS A 57 -3.115 -11.006 2.576 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.140 -13.926 2.117 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.093 -12.339 3.718 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.153 -14.085 3.576 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.926 -12.394 1.089 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.493 -12.684 2.075 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.245 -15.014 1.258 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.124 -14.330 0.098 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.183 -15.983 1.102 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.654 -14.558 2.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.913 -16.791 3.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.609 -15.271 3.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.624 -16.083 3.036 1.00 0.00 H new ATOM 881 N GLY A 58 -4.806 -13.819 3.988 1.00 0.00 N ATOM 882 CA GLY A 58 -5.642 -13.951 5.167 1.00 0.00 C ATOM 883 C GLY A 58 -5.587 -12.724 6.056 1.00 0.00 C ATOM 884 O GLY A 58 -4.763 -12.647 6.967 1.00 0.00 O ATOM 0 H GLY A 58 -5.173 -14.270 3.150 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.673 -14.128 4.860 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.325 -14.824 5.738 1.00 0.00 H new ATOM 888 N ARG A 59 -6.466 -11.763 5.791 1.00 0.00 N ATOM 889 CA ARG A 59 -6.513 -10.534 6.573 1.00 0.00 C ATOM 890 C ARG A 59 -5.174 -9.804 6.518 1.00 0.00 C ATOM 891 O ARG A 59 -4.639 -9.390 7.547 1.00 0.00 O ATOM 892 CB ARG A 59 -6.878 -10.841 8.026 1.00 0.00 C ATOM 893 CG ARG A 59 -8.237 -11.504 8.185 1.00 0.00 C ATOM 894 CD ARG A 59 -8.476 -11.948 9.620 1.00 0.00 C ATOM 895 NE ARG A 59 -9.898 -11.993 9.948 1.00 0.00 N ATOM 896 CZ ARG A 59 -10.406 -12.754 10.912 1.00 0.00 C ATOM 897 NH1 ARG A 59 -9.611 -13.528 11.638 1.00 0.00 N ATOM 898 NH2 ARG A 59 -11.711 -12.741 11.151 1.00 0.00 N ATOM 0 H ARG A 59 -7.155 -11.812 5.041 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.279 -9.889 6.142 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.114 -11.490 8.454 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.866 -9.914 8.599 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.020 -10.808 7.883 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.303 -12.366 7.521 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.037 -12.934 9.772 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.968 -11.265 10.301 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.536 -11.409 9.408 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.607 -13.540 11.457 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.003 -14.111 12.377 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -12.325 -12.147 10.595 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -12.100 -13.325 11.891 1.00 0.00 H new ATOM 912 N ILE A 60 -4.639 -9.650 5.311 1.00 0.00 N ATOM 913 CA ILE A 60 -3.364 -8.970 5.122 1.00 0.00 C ATOM 914 C ILE A 60 -3.276 -8.340 3.736 1.00 0.00 C ATOM 915 O ILE A 60 -3.538 -8.996 2.727 1.00 0.00 O ATOM 916 CB ILE A 60 -2.178 -9.934 5.312 1.00 0.00 C ATOM 917 CG1 ILE A 60 -2.238 -10.584 6.696 1.00 0.00 C ATOM 918 CG2 ILE A 60 -0.860 -9.196 5.124 1.00 0.00 C ATOM 919 CD1 ILE A 60 -1.078 -11.514 6.977 1.00 0.00 C ATOM 0 H ILE A 60 -5.069 -9.987 4.450 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.310 -8.187 5.878 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.243 -10.719 4.559 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.259 -9.802 7.455 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.170 -11.141 6.787 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.031 -9.891 5.261 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.818 -8.776 4.119 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.785 -8.392 5.857 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.186 -11.939 7.975 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.069 -12.317 6.240 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.143 -10.957 6.919 1.00 0.00 H new ATOM 931 N HIS A 61 -2.904 -7.065 3.694 1.00 0.00 N ATOM 932 CA HIS A 61 -2.779 -6.347 2.430 1.00 0.00 C ATOM 933 C HIS A 61 -1.312 -6.168 2.050 1.00 0.00 C ATOM 934 O HIS A 61 -0.588 -5.391 2.672 1.00 0.00 O ATOM 935 CB HIS A 61 -3.463 -4.983 2.525 1.00 0.00 C ATOM 936 CG HIS A 61 -4.937 -5.068 2.776 1.00 0.00 C ATOM 937 ND1 HIS A 61 -5.858 -5.307 1.778 1.00 0.00 N ATOM 938 CD2 HIS A 61 -5.648 -4.946 3.921 1.00 0.00 C ATOM 939 CE1 HIS A 61 -7.072 -5.327 2.298 1.00 0.00 C ATOM 940 NE2 HIS A 61 -6.973 -5.111 3.597 1.00 0.00 N ATOM 0 H HIS A 61 -2.684 -6.508 4.520 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.268 -6.937 1.655 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -2.999 -4.408 3.326 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -3.292 -4.435 1.599 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -5.636 -5.447 0.792 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.248 -4.755 4.906 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.990 -5.492 1.753 1.00 0.00 H new ATOM 949 N LYS A 62 -0.880 -6.894 1.024 1.00 0.00 N ATOM 950 CA LYS A 62 0.500 -6.816 0.559 1.00 0.00 C ATOM 951 C LYS A 62 0.587 -6.064 -0.765 1.00 0.00 C ATOM 952 O LYS A 62 -0.207 -6.299 -1.677 1.00 0.00 O ATOM 953 CB LYS A 62 1.086 -8.221 0.399 1.00 0.00 C ATOM 954 CG LYS A 62 2.586 -8.230 0.159 1.00 0.00 C ATOM 955 CD LYS A 62 3.044 -9.543 -0.454 1.00 0.00 C ATOM 956 CE LYS A 62 3.338 -10.585 0.614 1.00 0.00 C ATOM 957 NZ LYS A 62 4.372 -11.559 0.169 1.00 0.00 N ATOM 0 H LYS A 62 -1.466 -7.543 0.499 1.00 0.00 H new ATOM 0 HA LYS A 62 1.078 -6.270 1.305 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.866 -8.802 1.295 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.590 -8.720 -0.434 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.855 -7.406 -0.501 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.107 -8.066 1.102 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.274 -9.919 -1.128 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.938 -9.373 -1.054 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.675 -10.088 1.523 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.421 -11.118 0.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.544 -12.252 0.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.040 -12.052 -0.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.256 -11.054 -0.045 1.00 0.00 H new ATOM 971 N LEU A 63 1.555 -5.160 -0.864 1.00 0.00 N ATOM 972 CA LEU A 63 1.747 -4.374 -2.078 1.00 0.00 C ATOM 973 C LEU A 63 3.217 -4.015 -2.269 1.00 0.00 C ATOM 974 O LEU A 63 3.761 -3.177 -1.550 1.00 0.00 O ATOM 975 CB LEU A 63 0.902 -3.099 -2.023 1.00 0.00 C ATOM 976 CG LEU A 63 0.738 -2.345 -3.342 1.00 0.00 C ATOM 977 CD1 LEU A 63 -0.508 -1.474 -3.309 1.00 0.00 C ATOM 978 CD2 LEU A 63 1.972 -1.502 -3.631 1.00 0.00 C ATOM 0 H LEU A 63 2.219 -4.953 -0.118 1.00 0.00 H new ATOM 0 HA LEU A 63 1.427 -4.979 -2.926 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.089 -3.360 -1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.348 -2.423 -1.294 1.00 0.00 H new ATOM 0 HG LEU A 63 0.624 -3.075 -4.143 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.607 -0.945 -4.257 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.386 -2.100 -3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.425 -0.751 -2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.838 -0.972 -4.574 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.116 -0.781 -2.827 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.847 -2.149 -3.700 1.00 0.00 H new ATOM 990 N VAL A 64 3.855 -4.654 -3.244 1.00 0.00 N ATOM 991 CA VAL A 64 5.262 -4.401 -3.532 1.00 0.00 C ATOM 992 C VAL A 64 5.450 -3.908 -4.962 1.00 0.00 C ATOM 993 O VAL A 64 4.877 -4.462 -5.901 1.00 0.00 O ATOM 994 CB VAL A 64 6.115 -5.666 -3.321 1.00 0.00 C ATOM 995 CG1 VAL A 64 5.747 -6.345 -2.010 1.00 0.00 C ATOM 996 CG2 VAL A 64 5.948 -6.622 -4.492 1.00 0.00 C ATOM 0 H VAL A 64 3.420 -5.351 -3.848 1.00 0.00 H new ATOM 0 HA VAL A 64 5.593 -3.629 -2.838 1.00 0.00 H new ATOM 0 HB VAL A 64 7.163 -5.372 -3.269 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.360 -7.237 -1.878 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.923 -5.658 -1.182 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.694 -6.628 -2.029 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.558 -7.510 -4.326 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.901 -6.912 -4.579 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.266 -6.130 -5.411 1.00 0.00 H new ATOM 1006 N ILE A 65 6.255 -2.863 -5.121 1.00 0.00 N ATOM 1007 CA ILE A 65 6.520 -2.296 -6.437 1.00 0.00 C ATOM 1008 C ILE A 65 7.779 -2.897 -7.052 1.00 0.00 C ATOM 1009 O ILE A 65 8.775 -3.117 -6.362 1.00 0.00 O ATOM 1010 CB ILE A 65 6.676 -0.765 -6.370 1.00 0.00 C ATOM 1011 CG1 ILE A 65 5.441 -0.133 -5.725 1.00 0.00 C ATOM 1012 CG2 ILE A 65 6.904 -0.194 -7.762 1.00 0.00 C ATOM 1013 CD1 ILE A 65 5.523 1.373 -5.611 1.00 0.00 C ATOM 0 H ILE A 65 6.735 -2.392 -4.354 1.00 0.00 H new ATOM 0 HA ILE A 65 5.661 -2.539 -7.063 1.00 0.00 H new ATOM 0 HB ILE A 65 7.545 -0.530 -5.755 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.560 -0.398 -6.310 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.303 -0.558 -4.731 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.012 0.889 -7.698 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.810 -0.625 -8.188 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.053 -0.436 -8.399 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.614 1.753 -5.145 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.384 1.645 -5.001 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.630 1.808 -6.605 1.00 0.00 H new ATOM 1025 N ALA A 66 7.728 -3.160 -8.354 1.00 0.00 N ATOM 1026 CA ALA A 66 8.866 -3.733 -9.062 1.00 0.00 C ATOM 1027 C ALA A 66 10.048 -2.770 -9.071 1.00 0.00 C ATOM 1028 O ALA A 66 11.150 -3.121 -8.652 1.00 0.00 O ATOM 1029 CB ALA A 66 8.471 -4.100 -10.485 1.00 0.00 C ATOM 0 H ALA A 66 6.911 -2.985 -8.939 1.00 0.00 H new ATOM 0 HA ALA A 66 9.172 -4.638 -8.536 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.330 -4.527 -11.002 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.662 -4.830 -10.461 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.137 -3.206 -11.012 1.00 0.00 H new ATOM 1035 N ASN A 67 9.811 -1.553 -9.552 1.00 0.00 N ATOM 1036 CA ASN A 67 10.858 -0.540 -9.617 1.00 0.00 C ATOM 1037 C ASN A 67 10.434 0.727 -8.879 1.00 0.00 C ATOM 1038 O ASN A 67 9.398 1.317 -9.182 1.00 0.00 O ATOM 1039 CB ASN A 67 11.186 -0.208 -11.074 1.00 0.00 C ATOM 1040 CG ASN A 67 12.116 -1.228 -11.703 1.00 0.00 C ATOM 1041 OD1 ASN A 67 13.323 -1.004 -11.804 1.00 0.00 O ATOM 1042 ND2 ASN A 67 11.558 -2.354 -12.130 1.00 0.00 N ATOM 0 H ASN A 67 8.904 -1.245 -9.902 1.00 0.00 H new ATOM 0 HA ASN A 67 11.748 -0.942 -9.133 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.262 -0.159 -11.650 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.646 0.779 -11.125 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.134 -3.076 -12.562 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.553 -2.497 -12.026 1.00 0.00 H new ATOM 1049 N ALA A 68 11.245 1.138 -7.909 1.00 0.00 N ATOM 1050 CA ALA A 68 10.956 2.335 -7.129 1.00 0.00 C ATOM 1051 C ALA A 68 11.203 3.597 -7.949 1.00 0.00 C ATOM 1052 O ALA A 68 12.314 4.130 -7.967 1.00 0.00 O ATOM 1053 CB ALA A 68 11.797 2.354 -5.861 1.00 0.00 C ATOM 0 H ALA A 68 12.106 0.660 -7.645 1.00 0.00 H new ATOM 0 HA ALA A 68 9.902 2.313 -6.852 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.571 3.253 -5.288 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.569 1.474 -5.260 1.00 0.00 H new ATOM 0 HB3 ALA A 68 12.854 2.348 -6.126 1.00 0.00 H new ATOM 1059 N LEU A 69 10.163 4.070 -8.627 1.00 0.00 N ATOM 1060 CA LEU A 69 10.268 5.270 -9.450 1.00 0.00 C ATOM 1061 C LEU A 69 10.350 6.521 -8.581 1.00 0.00 C ATOM 1062 O LEU A 69 9.744 6.589 -7.511 1.00 0.00 O ATOM 1063 CB LEU A 69 9.069 5.370 -10.395 1.00 0.00 C ATOM 1064 CG LEU A 69 8.811 4.152 -11.283 1.00 0.00 C ATOM 1065 CD1 LEU A 69 7.483 4.293 -12.011 1.00 0.00 C ATOM 1066 CD2 LEU A 69 9.949 3.966 -12.277 1.00 0.00 C ATOM 0 H LEU A 69 9.238 3.641 -8.623 1.00 0.00 H new ATOM 0 HA LEU A 69 11.183 5.198 -10.039 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.176 5.555 -9.798 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.209 6.240 -11.037 1.00 0.00 H new ATOM 0 HG LEU A 69 8.761 3.268 -10.648 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.317 3.417 -12.638 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.676 4.377 -11.283 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.503 5.187 -12.635 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.749 3.095 -12.901 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.031 4.852 -12.907 1.00 0.00 H new ATOM 0 HD23 LEU A 69 10.884 3.818 -11.736 1.00 0.00 H new ATOM 1078 N THR A 70 11.104 7.511 -9.049 1.00 0.00 N ATOM 1079 CA THR A 70 11.265 8.760 -8.315 1.00 0.00 C ATOM 1080 C THR A 70 9.916 9.417 -8.045 1.00 0.00 C ATOM 1081 O THR A 70 9.769 10.184 -7.094 1.00 0.00 O ATOM 1082 CB THR A 70 12.161 9.751 -9.083 1.00 0.00 C ATOM 1083 OG1 THR A 70 11.786 9.780 -10.465 1.00 0.00 O ATOM 1084 CG2 THR A 70 13.626 9.364 -8.958 1.00 0.00 C ATOM 0 H THR A 70 11.612 7.472 -9.932 1.00 0.00 H new ATOM 0 HA THR A 70 11.741 8.510 -7.367 1.00 0.00 H new ATOM 0 HB THR A 70 12.025 10.742 -8.649 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.359 10.413 -10.946 1.00 0.00 H new ATOM 0 HG21 THR A 70 14.239 10.078 -9.508 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.916 9.371 -7.907 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.775 8.365 -9.369 1.00 0.00 H new ATOM 1092 N GLU A 71 8.934 9.110 -8.886 1.00 0.00 N ATOM 1093 CA GLU A 71 7.597 9.672 -8.737 1.00 0.00 C ATOM 1094 C GLU A 71 6.761 8.837 -7.770 1.00 0.00 C ATOM 1095 O GLU A 71 5.831 9.342 -7.142 1.00 0.00 O ATOM 1096 CB GLU A 71 6.898 9.751 -10.095 1.00 0.00 C ATOM 1097 CG GLU A 71 6.659 8.395 -10.737 1.00 0.00 C ATOM 1098 CD GLU A 71 6.377 8.495 -12.224 1.00 0.00 C ATOM 1099 OE1 GLU A 71 7.213 9.072 -12.949 1.00 0.00 O ATOM 1100 OE2 GLU A 71 5.319 7.995 -12.661 1.00 0.00 O ATOM 0 H GLU A 71 9.039 8.475 -9.678 1.00 0.00 H new ATOM 0 HA GLU A 71 7.697 10.678 -8.329 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.941 10.259 -9.973 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.499 10.361 -10.769 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.533 7.763 -10.578 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.819 7.907 -10.244 1.00 0.00 H new ATOM 1107 N ASP A 72 7.100 7.558 -7.657 1.00 0.00 N ATOM 1108 CA ASP A 72 6.383 6.652 -6.768 1.00 0.00 C ATOM 1109 C ASP A 72 6.429 7.155 -5.328 1.00 0.00 C ATOM 1110 O ASP A 72 5.424 7.124 -4.618 1.00 0.00 O ATOM 1111 CB ASP A 72 6.978 5.246 -6.849 1.00 0.00 C ATOM 1112 CG ASP A 72 6.559 4.512 -8.108 1.00 0.00 C ATOM 1113 OD1 ASP A 72 5.620 4.981 -8.784 1.00 0.00 O ATOM 1114 OD2 ASP A 72 7.172 3.470 -8.418 1.00 0.00 O ATOM 0 H ASP A 72 7.868 7.125 -8.170 1.00 0.00 H new ATOM 0 HA ASP A 72 5.342 6.616 -7.089 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.065 5.312 -6.815 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.666 4.672 -5.976 1.00 0.00 H new ATOM 1119 N GLU A 73 7.602 7.616 -4.905 1.00 0.00 N ATOM 1120 CA GLU A 73 7.778 8.123 -3.549 1.00 0.00 C ATOM 1121 C GLU A 73 6.727 9.181 -3.223 1.00 0.00 C ATOM 1122 O GLU A 73 6.167 9.812 -4.118 1.00 0.00 O ATOM 1123 CB GLU A 73 9.180 8.712 -3.379 1.00 0.00 C ATOM 1124 CG GLU A 73 9.255 10.200 -3.676 1.00 0.00 C ATOM 1125 CD GLU A 73 10.661 10.753 -3.536 1.00 0.00 C ATOM 1126 OE1 GLU A 73 11.253 10.597 -2.448 1.00 0.00 O ATOM 1127 OE2 GLU A 73 11.167 11.341 -4.514 1.00 0.00 O ATOM 0 H GLU A 73 8.443 7.649 -5.481 1.00 0.00 H new ATOM 0 HA GLU A 73 7.656 7.289 -2.858 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.517 8.537 -2.357 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.869 8.183 -4.037 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.896 10.383 -4.689 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.589 10.736 -3.000 1.00 0.00 H new ATOM 1134 N GLY A 74 6.465 9.368 -1.933 1.00 0.00 N ATOM 1135 CA GLY A 74 5.482 10.349 -1.510 1.00 0.00 C ATOM 1136 C GLY A 74 4.702 9.900 -0.292 1.00 0.00 C ATOM 1137 O GLY A 74 5.251 9.804 0.806 1.00 0.00 O ATOM 0 H GLY A 74 6.916 8.858 -1.173 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.985 11.290 -1.289 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.790 10.542 -2.330 1.00 0.00 H new ATOM 1141 N ASP A 75 3.416 9.625 -0.483 1.00 0.00 N ATOM 1142 CA ASP A 75 2.557 9.184 0.610 1.00 0.00 C ATOM 1143 C ASP A 75 1.563 8.132 0.129 1.00 0.00 C ATOM 1144 O ASP A 75 0.924 8.296 -0.910 1.00 0.00 O ATOM 1145 CB ASP A 75 1.808 10.374 1.211 1.00 0.00 C ATOM 1146 CG ASP A 75 2.703 11.248 2.070 1.00 0.00 C ATOM 1147 OD1 ASP A 75 3.478 12.044 1.500 1.00 0.00 O ATOM 1148 OD2 ASP A 75 2.627 11.135 3.311 1.00 0.00 O ATOM 0 H ASP A 75 2.945 9.700 -1.385 1.00 0.00 H new ATOM 0 HA ASP A 75 3.189 8.737 1.378 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.382 10.975 0.408 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.975 10.009 1.813 1.00 0.00 H new ATOM 1153 N TYR A 76 1.439 7.051 0.892 1.00 0.00 N ATOM 1154 CA TYR A 76 0.525 5.970 0.542 1.00 0.00 C ATOM 1155 C TYR A 76 -0.563 5.812 1.600 1.00 0.00 C ATOM 1156 O TYR A 76 -0.315 5.985 2.793 1.00 0.00 O ATOM 1157 CB TYR A 76 1.292 4.656 0.384 1.00 0.00 C ATOM 1158 CG TYR A 76 2.061 4.557 -0.915 1.00 0.00 C ATOM 1159 CD1 TYR A 76 3.083 5.451 -1.210 1.00 0.00 C ATOM 1160 CD2 TYR A 76 1.765 3.570 -1.846 1.00 0.00 C ATOM 1161 CE1 TYR A 76 3.788 5.364 -2.395 1.00 0.00 C ATOM 1162 CE2 TYR A 76 2.465 3.474 -3.033 1.00 0.00 C ATOM 1163 CZ TYR A 76 3.476 4.374 -3.303 1.00 0.00 C ATOM 1164 OH TYR A 76 4.174 4.283 -4.485 1.00 0.00 O ATOM 0 H TYR A 76 1.960 6.900 1.756 1.00 0.00 H new ATOM 0 HA TYR A 76 0.051 6.223 -0.406 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.987 4.548 1.217 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.589 3.825 0.445 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.330 6.227 -0.501 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.974 2.865 -1.638 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.579 6.067 -2.609 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.223 2.699 -3.745 1.00 0.00 H new ATOM 0 HH TYR A 76 4.623 5.135 -4.666 1.00 0.00 H new ATOM 1174 N VAL A 77 -1.770 5.482 1.153 1.00 0.00 N ATOM 1175 CA VAL A 77 -2.897 5.298 2.059 1.00 0.00 C ATOM 1176 C VAL A 77 -3.804 4.167 1.588 1.00 0.00 C ATOM 1177 O VAL A 77 -4.137 4.075 0.406 1.00 0.00 O ATOM 1178 CB VAL A 77 -3.730 6.588 2.188 1.00 0.00 C ATOM 1179 CG1 VAL A 77 -4.964 6.344 3.043 1.00 0.00 C ATOM 1180 CG2 VAL A 77 -2.884 7.712 2.767 1.00 0.00 C ATOM 0 H VAL A 77 -1.993 5.337 0.168 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.480 5.043 3.033 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.060 6.888 1.193 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.540 7.266 3.123 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.579 5.571 2.582 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.659 6.020 4.038 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.488 8.616 2.851 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.522 7.424 3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.035 7.903 2.111 1.00 0.00 H new ATOM 1190 N PHE A 78 -4.200 3.306 2.519 1.00 0.00 N ATOM 1191 CA PHE A 78 -5.068 2.179 2.199 1.00 0.00 C ATOM 1192 C PHE A 78 -6.502 2.453 2.645 1.00 0.00 C ATOM 1193 O PHE A 78 -6.745 3.301 3.503 1.00 0.00 O ATOM 1194 CB PHE A 78 -4.550 0.903 2.866 1.00 0.00 C ATOM 1195 CG PHE A 78 -5.517 -0.244 2.798 1.00 0.00 C ATOM 1196 CD1 PHE A 78 -6.491 -0.404 3.770 1.00 0.00 C ATOM 1197 CD2 PHE A 78 -5.451 -1.163 1.763 1.00 0.00 C ATOM 1198 CE1 PHE A 78 -7.383 -1.459 3.711 1.00 0.00 C ATOM 1199 CE2 PHE A 78 -6.340 -2.219 1.698 1.00 0.00 C ATOM 1200 CZ PHE A 78 -7.306 -2.368 2.674 1.00 0.00 C ATOM 0 H PHE A 78 -3.934 3.367 3.502 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.062 2.044 1.117 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.615 0.608 2.390 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.323 1.115 3.911 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -6.554 0.304 4.583 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.696 -1.053 0.998 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -8.139 -1.572 4.474 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -6.280 -2.927 0.885 1.00 0.00 H new ATOM 0 HZ PHE A 78 -8.000 -3.194 2.626 1.00 0.00 H new ATOM 1210 N ALA A 79 -7.447 1.729 2.055 1.00 0.00 N ATOM 1211 CA ALA A 79 -8.856 1.892 2.391 1.00 0.00 C ATOM 1212 C ALA A 79 -9.663 0.663 1.986 1.00 0.00 C ATOM 1213 O ALA A 79 -9.691 0.266 0.821 1.00 0.00 O ATOM 1214 CB ALA A 79 -9.417 3.138 1.723 1.00 0.00 C ATOM 0 H ALA A 79 -7.262 1.024 1.342 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.935 2.006 3.472 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.470 3.247 1.983 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.866 4.014 2.066 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.318 3.047 0.641 1.00 0.00 H new ATOM 1220 N PRO A 80 -10.335 0.045 2.968 1.00 0.00 N ATOM 1221 CA PRO A 80 -11.155 -1.148 2.737 1.00 0.00 C ATOM 1222 C PRO A 80 -12.415 -0.840 1.936 1.00 0.00 C ATOM 1223 O PRO A 80 -12.966 0.258 2.026 1.00 0.00 O ATOM 1224 CB PRO A 80 -11.519 -1.607 4.151 1.00 0.00 C ATOM 1225 CG PRO A 80 -11.442 -0.373 4.982 1.00 0.00 C ATOM 1226 CD PRO A 80 -10.347 0.463 4.380 1.00 0.00 C ATOM 0 HA PRO A 80 -10.625 -1.900 2.153 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -12.518 -2.043 4.181 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -10.828 -2.370 4.510 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -12.391 0.163 4.974 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -11.221 -0.616 6.022 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -10.553 1.529 4.482 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.388 0.276 4.862 1.00 0.00 H new ATOM 1234 N ASP A 81 -12.867 -1.814 1.154 1.00 0.00 N ATOM 1235 CA ASP A 81 -14.063 -1.646 0.338 1.00 0.00 C ATOM 1236 C ASP A 81 -15.319 -1.961 1.144 1.00 0.00 C ATOM 1237 O ASP A 81 -16.410 -2.089 0.589 1.00 0.00 O ATOM 1238 CB ASP A 81 -13.995 -2.548 -0.896 1.00 0.00 C ATOM 1239 CG ASP A 81 -14.824 -2.015 -2.048 1.00 0.00 C ATOM 1240 OD1 ASP A 81 -15.006 -0.783 -2.128 1.00 0.00 O ATOM 1241 OD2 ASP A 81 -15.293 -2.832 -2.870 1.00 0.00 O ATOM 0 H ASP A 81 -12.423 -2.728 1.068 1.00 0.00 H new ATOM 0 HA ASP A 81 -14.110 -0.606 0.016 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.957 -2.646 -1.214 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.344 -3.547 -0.632 1.00 0.00 H new ATOM 1246 N ALA A 82 -15.158 -2.085 2.458 1.00 0.00 N ATOM 1247 CA ALA A 82 -16.278 -2.383 3.341 1.00 0.00 C ATOM 1248 C ALA A 82 -16.416 -1.325 4.430 1.00 0.00 C ATOM 1249 O ALA A 82 -17.526 -0.983 4.840 1.00 0.00 O ATOM 1250 CB ALA A 82 -16.109 -3.762 3.960 1.00 0.00 C ATOM 0 H ALA A 82 -14.262 -1.983 2.934 1.00 0.00 H new ATOM 0 HA ALA A 82 -17.191 -2.374 2.745 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -16.953 -3.972 4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -16.069 -4.513 3.171 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -15.184 -3.791 4.536 1.00 0.00 H new ATOM 1256 N TYR A 83 -15.283 -0.811 4.895 1.00 0.00 N ATOM 1257 CA TYR A 83 -15.278 0.207 5.939 1.00 0.00 C ATOM 1258 C TYR A 83 -14.605 1.486 5.451 1.00 0.00 C ATOM 1259 O TYR A 83 -14.190 1.580 4.296 1.00 0.00 O ATOM 1260 CB TYR A 83 -14.561 -0.316 7.186 1.00 0.00 C ATOM 1261 CG TYR A 83 -14.974 -1.716 7.579 1.00 0.00 C ATOM 1262 CD1 TYR A 83 -14.466 -2.824 6.913 1.00 0.00 C ATOM 1263 CD2 TYR A 83 -15.873 -1.931 8.617 1.00 0.00 C ATOM 1264 CE1 TYR A 83 -14.841 -4.105 7.268 1.00 0.00 C ATOM 1265 CE2 TYR A 83 -16.252 -3.208 8.980 1.00 0.00 C ATOM 1266 CZ TYR A 83 -15.734 -4.292 8.303 1.00 0.00 C ATOM 1267 OH TYR A 83 -16.111 -5.566 8.661 1.00 0.00 O ATOM 0 H TYR A 83 -14.357 -1.082 4.566 1.00 0.00 H new ATOM 0 HA TYR A 83 -16.313 0.437 6.192 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -13.485 -0.299 7.010 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -14.758 0.359 8.019 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -13.766 -2.681 6.103 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -16.282 -1.085 9.149 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -14.438 -4.955 6.738 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -16.951 -3.357 9.790 1.00 0.00 H new ATOM 0 HH TYR A 83 -16.744 -5.522 9.408 1.00 0.00 H new ATOM 1277 N ASN A 84 -14.499 2.468 6.340 1.00 0.00 N ATOM 1278 CA ASN A 84 -13.876 3.742 6.000 1.00 0.00 C ATOM 1279 C ASN A 84 -12.589 3.947 6.793 1.00 0.00 C ATOM 1280 O ASN A 84 -12.371 5.006 7.381 1.00 0.00 O ATOM 1281 CB ASN A 84 -14.845 4.895 6.272 1.00 0.00 C ATOM 1282 CG ASN A 84 -14.510 6.134 5.464 1.00 0.00 C ATOM 1283 OD1 ASN A 84 -13.599 6.887 5.810 1.00 0.00 O ATOM 1284 ND2 ASN A 84 -15.248 6.352 4.382 1.00 0.00 N ATOM 0 H ASN A 84 -14.836 2.406 7.301 1.00 0.00 H new ATOM 0 HA ASN A 84 -13.629 3.726 4.939 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -15.861 4.575 6.038 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -14.825 5.140 7.334 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -15.070 7.170 3.800 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -15.993 5.701 4.133 1.00 0.00 H new ATOM 1291 N VAL A 85 -11.738 2.925 6.803 1.00 0.00 N ATOM 1292 CA VAL A 85 -10.471 2.993 7.522 1.00 0.00 C ATOM 1293 C VAL A 85 -9.343 3.450 6.604 1.00 0.00 C ATOM 1294 O VAL A 85 -9.296 3.084 5.429 1.00 0.00 O ATOM 1295 CB VAL A 85 -10.100 1.629 8.134 1.00 0.00 C ATOM 1296 CG1 VAL A 85 -8.806 1.734 8.926 1.00 0.00 C ATOM 1297 CG2 VAL A 85 -11.231 1.114 9.012 1.00 0.00 C ATOM 0 H VAL A 85 -11.903 2.041 6.322 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.600 3.720 8.324 1.00 0.00 H new ATOM 0 HB VAL A 85 -9.946 0.916 7.324 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -8.560 0.761 9.351 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.001 2.056 8.266 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -8.929 2.460 9.729 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -10.952 0.149 9.436 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.419 1.824 9.817 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.134 0.999 8.412 1.00 0.00 H new ATOM 1307 N THR A 86 -8.433 4.252 7.149 1.00 0.00 N ATOM 1308 CA THR A 86 -7.304 4.760 6.379 1.00 0.00 C ATOM 1309 C THR A 86 -5.996 4.586 7.143 1.00 0.00 C ATOM 1310 O THR A 86 -5.902 4.932 8.321 1.00 0.00 O ATOM 1311 CB THR A 86 -7.487 6.249 6.029 1.00 0.00 C ATOM 1312 OG1 THR A 86 -7.824 6.991 7.207 1.00 0.00 O ATOM 1313 CG2 THR A 86 -8.576 6.429 4.982 1.00 0.00 C ATOM 0 H THR A 86 -8.456 4.563 8.120 1.00 0.00 H new ATOM 0 HA THR A 86 -7.263 4.180 5.457 1.00 0.00 H new ATOM 0 HB THR A 86 -6.547 6.622 5.621 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.386 6.587 7.985 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.687 7.488 4.751 1.00 0.00 H new ATOM 0 HG22 THR A 86 -8.303 5.887 4.077 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.519 6.041 5.367 1.00 0.00 H new ATOM 1321 N LEU A 87 -4.988 4.049 6.465 1.00 0.00 N ATOM 1322 CA LEU A 87 -3.683 3.830 7.079 1.00 0.00 C ATOM 1323 C LEU A 87 -2.610 4.668 6.392 1.00 0.00 C ATOM 1324 O LEU A 87 -2.144 4.349 5.298 1.00 0.00 O ATOM 1325 CB LEU A 87 -3.309 2.348 7.014 1.00 0.00 C ATOM 1326 CG LEU A 87 -4.188 1.397 7.827 1.00 0.00 C ATOM 1327 CD1 LEU A 87 -5.393 0.955 7.012 1.00 0.00 C ATOM 1328 CD2 LEU A 87 -3.383 0.191 8.290 1.00 0.00 C ATOM 0 H LEU A 87 -5.049 3.757 5.490 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.744 4.137 8.123 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.336 2.033 5.971 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.279 2.239 7.354 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.547 1.929 8.708 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.007 0.279 7.607 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.983 1.828 6.731 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.055 0.441 6.112 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.025 -0.475 8.867 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.994 -0.342 7.422 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.553 0.525 8.913 1.00 0.00 H new ATOM 1340 N PRO A 88 -2.205 5.765 7.048 1.00 0.00 N ATOM 1341 CA PRO A 88 -1.180 6.670 6.520 1.00 0.00 C ATOM 1342 C PRO A 88 0.208 6.038 6.522 1.00 0.00 C ATOM 1343 O PRO A 88 0.566 5.307 7.445 1.00 0.00 O ATOM 1344 CB PRO A 88 -1.227 7.859 7.483 1.00 0.00 C ATOM 1345 CG PRO A 88 -1.760 7.296 8.755 1.00 0.00 C ATOM 1346 CD PRO A 88 -2.717 6.207 8.357 1.00 0.00 C ATOM 0 HA PRO A 88 -1.369 6.938 5.480 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.237 8.292 7.626 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.870 8.652 7.101 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -0.955 6.901 9.374 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.265 8.064 9.341 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.723 5.393 9.082 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.740 6.577 8.284 1.00 0.00 H new ATOM 1354 N ALA A 89 0.985 6.325 5.483 1.00 0.00 N ATOM 1355 CA ALA A 89 2.335 5.787 5.366 1.00 0.00 C ATOM 1356 C ALA A 89 3.233 6.724 4.566 1.00 0.00 C ATOM 1357 O ALA A 89 2.846 7.217 3.507 1.00 0.00 O ATOM 1358 CB ALA A 89 2.299 4.409 4.722 1.00 0.00 C ATOM 0 H ALA A 89 0.703 6.927 4.710 1.00 0.00 H new ATOM 0 HA ALA A 89 2.752 5.697 6.369 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.314 4.019 4.641 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.700 3.736 5.335 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.858 4.483 3.728 1.00 0.00 H new ATOM 1364 N LYS A 90 4.434 6.967 5.081 1.00 0.00 N ATOM 1365 CA LYS A 90 5.388 7.845 4.414 1.00 0.00 C ATOM 1366 C LYS A 90 6.428 7.036 3.646 1.00 0.00 C ATOM 1367 O LYS A 90 6.902 6.004 4.122 1.00 0.00 O ATOM 1368 CB LYS A 90 6.083 8.747 5.437 1.00 0.00 C ATOM 1369 CG LYS A 90 5.122 9.594 6.254 1.00 0.00 C ATOM 1370 CD LYS A 90 5.857 10.438 7.281 1.00 0.00 C ATOM 1371 CE LYS A 90 6.167 9.642 8.539 1.00 0.00 C ATOM 1372 NZ LYS A 90 7.309 10.224 9.297 1.00 0.00 N ATOM 0 H LYS A 90 4.769 6.568 5.958 1.00 0.00 H new ATOM 0 HA LYS A 90 4.839 8.464 3.705 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.673 8.128 6.113 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.780 9.404 4.916 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.552 10.243 5.589 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.405 8.947 6.759 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.785 10.813 6.849 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.252 11.307 7.539 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.284 9.614 9.178 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.398 8.612 8.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.489 9.653 10.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.158 10.228 8.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.079 11.199 9.577 1.00 0.00 H new ATOM 1386 N VAL A 91 6.778 7.511 2.455 1.00 0.00 N ATOM 1387 CA VAL A 91 7.764 6.832 1.621 1.00 0.00 C ATOM 1388 C VAL A 91 8.712 7.831 0.968 1.00 0.00 C ATOM 1389 O VAL A 91 8.360 8.993 0.759 1.00 0.00 O ATOM 1390 CB VAL A 91 7.086 5.991 0.523 1.00 0.00 C ATOM 1391 CG1 VAL A 91 6.898 4.556 0.990 1.00 0.00 C ATOM 1392 CG2 VAL A 91 5.755 6.609 0.124 1.00 0.00 C ATOM 0 H VAL A 91 6.394 8.363 2.046 1.00 0.00 H new ATOM 0 HA VAL A 91 8.332 6.171 2.276 1.00 0.00 H new ATOM 0 HB VAL A 91 7.733 5.981 -0.354 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.418 3.977 0.201 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.869 4.118 1.221 1.00 0.00 H new ATOM 0 HG13 VAL A 91 6.272 4.543 1.882 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.290 6.002 -0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.098 6.651 0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.921 7.617 -0.255 1.00 0.00 H new ATOM 1402 N HIS A 92 9.917 7.372 0.646 1.00 0.00 N ATOM 1403 CA HIS A 92 10.917 8.225 0.015 1.00 0.00 C ATOM 1404 C HIS A 92 11.866 7.402 -0.851 1.00 0.00 C ATOM 1405 O HIS A 92 12.069 6.212 -0.608 1.00 0.00 O ATOM 1406 CB HIS A 92 11.710 8.990 1.076 1.00 0.00 C ATOM 1407 CG HIS A 92 10.907 10.038 1.783 1.00 0.00 C ATOM 1408 ND1 HIS A 92 10.471 11.193 1.169 1.00 0.00 N ATOM 1409 CD2 HIS A 92 10.461 10.100 3.059 1.00 0.00 C ATOM 1410 CE1 HIS A 92 9.792 11.921 2.037 1.00 0.00 C ATOM 1411 NE2 HIS A 92 9.771 11.280 3.192 1.00 0.00 N ATOM 0 H HIS A 92 10.225 6.414 0.812 1.00 0.00 H new ATOM 0 HA HIS A 92 10.397 8.939 -0.624 1.00 0.00 H new ATOM 0 HB2 HIS A 92 12.096 8.283 1.810 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.572 9.461 0.604 1.00 0.00 H new ATOM 0 HD2 HIS A 92 10.618 9.360 3.829 1.00 0.00 H new ATOM 0 HE1 HIS A 92 9.332 12.877 1.837 1.00 0.00 H new ATOM 0 HE2 HIS A 92 9.316 11.608 4.044 1.00 0.00 H new ATOM 1420 N VAL A 93 12.445 8.042 -1.862 1.00 0.00 N ATOM 1421 CA VAL A 93 13.372 7.369 -2.763 1.00 0.00 C ATOM 1422 C VAL A 93 14.710 8.099 -2.820 1.00 0.00 C ATOM 1423 O VAL A 93 14.765 9.324 -2.707 1.00 0.00 O ATOM 1424 CB VAL A 93 12.795 7.265 -4.187 1.00 0.00 C ATOM 1425 CG1 VAL A 93 12.640 8.648 -4.803 1.00 0.00 C ATOM 1426 CG2 VAL A 93 13.678 6.382 -5.056 1.00 0.00 C ATOM 0 H VAL A 93 12.288 9.027 -2.077 1.00 0.00 H new ATOM 0 HA VAL A 93 13.526 6.365 -2.367 1.00 0.00 H new ATOM 0 HB VAL A 93 11.808 6.807 -4.128 1.00 0.00 H new ATOM 0 HG11 VAL A 93 12.231 8.554 -5.809 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.964 9.245 -4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.613 9.136 -4.851 1.00 0.00 H new ATOM 0 HG21 VAL A 93 13.255 6.319 -6.059 1.00 0.00 H new ATOM 0 HG22 VAL A 93 14.679 6.810 -5.110 1.00 0.00 H new ATOM 0 HG23 VAL A 93 13.733 5.383 -4.623 1.00 0.00 H new ATOM 1436 N ILE A 94 15.785 7.338 -2.997 1.00 0.00 N ATOM 1437 CA ILE A 94 17.122 7.913 -3.071 1.00 0.00 C ATOM 1438 C ILE A 94 17.478 8.296 -4.503 1.00 0.00 C ATOM 1439 O ILE A 94 17.381 7.478 -5.418 1.00 0.00 O ATOM 1440 CB ILE A 94 18.185 6.936 -2.534 1.00 0.00 C ATOM 1441 CG1 ILE A 94 17.651 6.188 -1.311 1.00 0.00 C ATOM 1442 CG2 ILE A 94 19.465 7.683 -2.188 1.00 0.00 C ATOM 1443 CD1 ILE A 94 17.571 7.045 -0.066 1.00 0.00 C ATOM 0 H ILE A 94 15.756 6.323 -3.092 1.00 0.00 H new ATOM 0 HA ILE A 94 17.115 8.808 -2.449 1.00 0.00 H new ATOM 0 HB ILE A 94 18.412 6.207 -3.312 1.00 0.00 H new ATOM 0 HG12 ILE A 94 16.659 5.798 -1.538 1.00 0.00 H new ATOM 0 HG13 ILE A 94 18.293 5.330 -1.111 1.00 0.00 H new ATOM 0 HG21 ILE A 94 20.206 6.979 -1.810 1.00 0.00 H new ATOM 0 HG22 ILE A 94 19.853 8.174 -3.081 1.00 0.00 H new ATOM 0 HG23 ILE A 94 19.254 8.432 -1.425 1.00 0.00 H new ATOM 0 HD11 ILE A 94 17.184 6.450 0.761 1.00 0.00 H new ATOM 0 HD12 ILE A 94 18.565 7.414 0.186 1.00 0.00 H new ATOM 0 HD13 ILE A 94 16.906 7.889 -0.248 1.00 0.00 H new