USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 635 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 23 THR OG1 : rot -50:sc= 1.25 USER MOD Set 1.2: A 26 THR OG1 : rot -170:sc= 1.22 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0888 USER MOD Single : A 8 THR OG1 : rot 60:sc= 0.673 USER MOD Single : A 13 GLN : amide:sc=-0.000577 X(o=-0.00058,f=-0.43) USER MOD Single : A 19 SER OG : rot 99:sc= 0.00339 USER MOD Single : A 27 SER OG : rot -19:sc= 0.338 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0.0809 USER MOD Single : A 38 SER OG : rot 174:sc= 0.493 USER MOD Single : A 39 HIS : no HD1:sc= 0.503 K(o=0.5,f=-3.6!) USER MOD Single : A 40 MET CE :methyl -167:sc= -0.019 (180deg=-0.256) USER MOD Single : A 41 ASN : amide:sc= -0.376 X(o=-0.38,f=-0.063) USER MOD Single : A 45 SER OG : rot 86:sc= 1.2 USER MOD Single : A 49 HIS :FLIP no HE2:sc= 0.112 F(o=-0.44,f=0.11) USER MOD Single : A 50 TYR OH : rot -140:sc= -0.908 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0.739 (180deg=0.739) USER MOD Single : A 53 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00373) USER MOD Single : A 60 GLN : amide:sc= -0.339 K(o=-0.34,f=-4.2!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.249 K(o=-0.25,f=-1.3) USER MOD Single : A 74 LYS NZ :NH3+ 152:sc= 0.47 (180deg=0.396) USER MOD Single : A 75 LYS NZ :NH3+ 164:sc= 0.958 (180deg=0.697) USER MOD Single : A 79 LYS NZ :NH3+ -177:sc= 0.751 (180deg=0.741) USER MOD ----------------------------------------------------------------- ATOM 20 N PRO A 2 -10.115 4.054 6.745 1.00 0.00 N ATOM 21 CA PRO A 2 -9.403 5.353 6.777 1.00 0.00 C ATOM 22 C PRO A 2 -8.374 5.484 5.633 1.00 0.00 C ATOM 23 O PRO A 2 -7.289 6.034 5.820 1.00 0.00 O ATOM 24 CB PRO A 2 -8.736 5.302 8.169 1.00 0.00 C ATOM 25 CG PRO A 2 -8.365 3.860 8.347 1.00 0.00 C ATOM 26 CD PRO A 2 -9.453 3.057 7.642 1.00 0.00 C ATOM 0 HA PRO A 2 -10.050 6.218 6.631 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -7.859 5.947 8.214 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -9.419 5.637 8.950 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -7.386 3.653 7.916 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -8.310 3.599 9.404 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -9.032 2.227 7.074 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -10.159 2.630 8.354 1.00 0.00 H new ATOM 34 N THR A 3 -8.764 5.006 4.440 1.00 0.00 N ATOM 35 CA THR A 3 -7.902 4.961 3.257 1.00 0.00 C ATOM 36 C THR A 3 -7.485 6.386 2.810 1.00 0.00 C ATOM 37 O THR A 3 -6.333 6.786 3.009 1.00 0.00 O ATOM 38 CB THR A 3 -8.622 4.179 2.094 1.00 0.00 C ATOM 39 OG1 THR A 3 -9.959 4.664 1.908 1.00 0.00 O ATOM 40 CG2 THR A 3 -8.669 2.667 2.354 1.00 0.00 C ATOM 0 H THR A 3 -9.700 4.636 4.272 1.00 0.00 H new ATOM 0 HA THR A 3 -6.987 4.427 3.514 1.00 0.00 H new ATOM 0 HB THR A 3 -8.036 4.354 1.192 1.00 0.00 H new ATOM 0 HG1 THR A 3 -10.389 4.167 1.181 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.174 2.171 1.525 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.653 2.281 2.443 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.213 2.474 3.279 1.00 0.00 H new ATOM 48 N LEU A 4 -8.432 7.143 2.238 1.00 0.00 N ATOM 49 CA LEU A 4 -8.188 8.530 1.784 1.00 0.00 C ATOM 50 C LEU A 4 -8.222 9.508 2.971 1.00 0.00 C ATOM 51 O LEU A 4 -7.550 10.547 2.938 1.00 0.00 O ATOM 52 CB LEU A 4 -9.239 8.935 0.716 1.00 0.00 C ATOM 53 CG LEU A 4 -9.198 8.119 -0.617 1.00 0.00 C ATOM 54 CD1 LEU A 4 -10.380 8.485 -1.537 1.00 0.00 C ATOM 55 CD2 LEU A 4 -7.851 8.302 -1.354 1.00 0.00 C ATOM 0 H LEU A 4 -9.385 6.819 2.075 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.196 8.577 1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.232 8.833 1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.102 9.990 0.479 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.292 7.066 -0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.321 7.900 -2.455 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.319 8.268 -1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.337 9.547 -1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.859 7.720 -2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.706 9.356 -1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.037 7.959 -0.715 1.00 0.00 H new ATOM 67 N ASP A 5 -9.019 9.148 4.008 1.00 0.00 N ATOM 68 CA ASP A 5 -9.218 9.967 5.232 1.00 0.00 C ATOM 69 C ASP A 5 -7.884 10.267 5.936 1.00 0.00 C ATOM 70 O ASP A 5 -7.576 11.426 6.235 1.00 0.00 O ATOM 71 CB ASP A 5 -10.174 9.251 6.232 1.00 0.00 C ATOM 72 CG ASP A 5 -11.537 8.909 5.610 1.00 0.00 C ATOM 73 OD1 ASP A 5 -12.365 9.830 5.430 1.00 0.00 O ATOM 74 OD2 ASP A 5 -11.775 7.725 5.285 1.00 0.00 O ATOM 0 H ASP A 5 -9.546 8.275 4.019 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.665 10.908 4.913 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -9.702 8.335 6.587 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.327 9.889 7.102 1.00 0.00 H new ATOM 79 N ALA A 6 -7.098 9.199 6.189 1.00 0.00 N ATOM 80 CA ALA A 6 -5.796 9.294 6.884 1.00 0.00 C ATOM 81 C ALA A 6 -4.765 10.077 6.053 1.00 0.00 C ATOM 82 O ALA A 6 -3.927 10.797 6.602 1.00 0.00 O ATOM 83 CB ALA A 6 -5.273 7.891 7.227 1.00 0.00 C ATOM 0 H ALA A 6 -7.347 8.248 5.918 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.950 9.846 7.811 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.314 7.975 7.738 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.987 7.385 7.877 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.146 7.316 6.310 1.00 0.00 H new ATOM 89 N LEU A 7 -4.870 9.944 4.726 1.00 0.00 N ATOM 90 CA LEU A 7 -3.947 10.583 3.775 1.00 0.00 C ATOM 91 C LEU A 7 -4.190 12.098 3.658 1.00 0.00 C ATOM 92 O LEU A 7 -3.238 12.849 3.475 1.00 0.00 O ATOM 93 CB LEU A 7 -4.066 9.918 2.384 1.00 0.00 C ATOM 94 CG LEU A 7 -3.626 8.428 2.291 1.00 0.00 C ATOM 95 CD1 LEU A 7 -3.721 7.917 0.844 1.00 0.00 C ATOM 96 CD2 LEU A 7 -2.210 8.223 2.861 1.00 0.00 C ATOM 0 H LEU A 7 -5.599 9.389 4.278 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.937 10.442 4.161 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.104 9.989 2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.470 10.495 1.677 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.312 7.841 2.901 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.408 6.874 0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.750 8.000 0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.072 8.514 0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.934 7.172 2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.500 8.829 2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.192 8.524 3.909 1.00 0.00 H new ATOM 108 N THR A 8 -5.461 12.533 3.775 1.00 0.00 N ATOM 109 CA THR A 8 -5.864 13.951 3.559 1.00 0.00 C ATOM 110 C THR A 8 -4.985 14.990 4.344 1.00 0.00 C ATOM 111 O THR A 8 -4.442 15.900 3.702 1.00 0.00 O ATOM 112 CB THR A 8 -7.392 14.141 3.850 1.00 0.00 C ATOM 113 OG1 THR A 8 -8.154 13.414 2.867 1.00 0.00 O ATOM 114 CG2 THR A 8 -7.829 15.623 3.870 1.00 0.00 C ATOM 0 H THR A 8 -6.239 11.920 4.020 1.00 0.00 H new ATOM 0 HA THR A 8 -5.680 14.165 2.506 1.00 0.00 H new ATOM 0 HB THR A 8 -7.583 13.751 4.850 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.928 12.462 2.916 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.897 15.685 4.077 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.278 16.154 4.646 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.620 16.077 2.901 1.00 0.00 H new ATOM 122 N PRO A 9 -4.788 14.868 5.718 1.00 0.00 N ATOM 123 CA PRO A 9 -3.899 15.788 6.481 1.00 0.00 C ATOM 124 C PRO A 9 -2.422 15.707 6.033 1.00 0.00 C ATOM 125 O PRO A 9 -1.700 16.703 6.067 1.00 0.00 O ATOM 126 CB PRO A 9 -4.068 15.333 7.964 1.00 0.00 C ATOM 127 CG PRO A 9 -5.369 14.600 7.972 1.00 0.00 C ATOM 128 CD PRO A 9 -5.411 13.881 6.642 1.00 0.00 C ATOM 0 HA PRO A 9 -4.171 16.831 6.320 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.246 14.691 8.280 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.086 16.185 8.643 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.423 13.898 8.804 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -6.210 15.286 8.078 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.854 12.945 6.670 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.431 13.636 6.346 1.00 0.00 H new ATOM 136 N ILE A 10 -2.006 14.506 5.584 1.00 0.00 N ATOM 137 CA ILE A 10 -0.607 14.222 5.194 1.00 0.00 C ATOM 138 C ILE A 10 -0.249 14.982 3.901 1.00 0.00 C ATOM 139 O ILE A 10 0.801 15.617 3.821 1.00 0.00 O ATOM 140 CB ILE A 10 -0.357 12.677 4.992 1.00 0.00 C ATOM 141 CG1 ILE A 10 -0.839 11.852 6.235 1.00 0.00 C ATOM 142 CG2 ILE A 10 1.132 12.380 4.664 1.00 0.00 C ATOM 143 CD1 ILE A 10 -0.124 12.162 7.543 1.00 0.00 C ATOM 0 H ILE A 10 -2.629 13.705 5.481 1.00 0.00 H new ATOM 0 HA ILE A 10 0.034 14.562 6.007 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.952 12.361 4.135 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.906 12.027 6.374 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.715 10.791 6.016 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.268 11.307 4.531 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.413 12.898 3.747 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.761 12.727 5.484 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.533 11.538 8.338 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.941 11.958 7.433 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.268 13.212 7.796 1.00 0.00 H new ATOM 155 N PHE A 11 -1.164 14.943 2.914 1.00 0.00 N ATOM 156 CA PHE A 11 -0.977 15.602 1.606 1.00 0.00 C ATOM 157 C PHE A 11 -0.990 17.126 1.766 1.00 0.00 C ATOM 158 O PHE A 11 -0.104 17.820 1.272 1.00 0.00 O ATOM 159 CB PHE A 11 -2.082 15.161 0.603 1.00 0.00 C ATOM 160 CG PHE A 11 -1.863 13.784 -0.012 1.00 0.00 C ATOM 161 CD1 PHE A 11 -1.832 12.640 0.776 1.00 0.00 C ATOM 162 CD2 PHE A 11 -1.690 13.635 -1.382 1.00 0.00 C ATOM 163 CE1 PHE A 11 -1.636 11.400 0.218 1.00 0.00 C ATOM 164 CE2 PHE A 11 -1.492 12.394 -1.931 1.00 0.00 C ATOM 165 CZ PHE A 11 -1.467 11.276 -1.135 1.00 0.00 C ATOM 0 H PHE A 11 -2.055 14.453 3.000 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.008 15.298 1.210 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -3.044 15.167 1.116 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.143 15.898 -0.198 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.964 12.727 1.844 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.712 14.505 -2.021 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.615 10.522 0.847 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.355 12.296 -2.998 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.314 10.301 -1.575 1.00 0.00 H new ATOM 175 N ARG A 12 -2.015 17.631 2.468 1.00 0.00 N ATOM 176 CA ARG A 12 -2.191 19.072 2.707 1.00 0.00 C ATOM 177 C ARG A 12 -1.050 19.671 3.556 1.00 0.00 C ATOM 178 O ARG A 12 -0.823 20.883 3.512 1.00 0.00 O ATOM 179 CB ARG A 12 -3.575 19.316 3.355 1.00 0.00 C ATOM 180 CG ARG A 12 -4.757 18.890 2.448 1.00 0.00 C ATOM 181 CD ARG A 12 -6.128 19.097 3.105 1.00 0.00 C ATOM 182 NE ARG A 12 -7.223 18.775 2.179 1.00 0.00 N ATOM 183 CZ ARG A 12 -8.533 18.909 2.443 1.00 0.00 C ATOM 184 NH1 ARG A 12 -8.948 19.297 3.644 1.00 0.00 N ATOM 185 NH2 ARG A 12 -9.414 18.631 1.499 1.00 0.00 N ATOM 0 H ARG A 12 -2.745 17.053 2.886 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.149 19.588 1.748 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.631 18.767 4.295 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.674 20.374 3.597 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.717 19.459 1.519 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.643 17.839 2.183 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.205 18.470 3.993 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.222 20.131 3.435 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.966 18.420 1.258 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.269 19.497 4.378 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.946 19.395 3.832 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.097 18.318 0.581 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.412 18.729 1.688 1.00 0.00 H new ATOM 199 N GLN A 13 -0.338 18.815 4.321 1.00 0.00 N ATOM 200 CA GLN A 13 0.867 19.220 5.075 1.00 0.00 C ATOM 201 C GLN A 13 2.109 19.262 4.147 1.00 0.00 C ATOM 202 O GLN A 13 2.757 20.306 4.015 1.00 0.00 O ATOM 203 CB GLN A 13 1.106 18.239 6.261 1.00 0.00 C ATOM 204 CG GLN A 13 2.218 18.668 7.249 1.00 0.00 C ATOM 205 CD GLN A 13 1.880 19.930 8.058 1.00 0.00 C ATOM 206 OE1 GLN A 13 0.721 20.198 8.363 1.00 0.00 O ATOM 207 NE2 GLN A 13 2.890 20.700 8.432 1.00 0.00 N ATOM 0 H GLN A 13 -0.581 17.831 4.432 1.00 0.00 H new ATOM 0 HA GLN A 13 0.708 20.223 5.472 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.173 18.126 6.814 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.358 17.258 5.857 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.413 17.847 7.939 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.138 18.841 6.692 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.844 20.455 8.166 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.714 21.538 8.987 1.00 0.00 H new ATOM 216 N VAL A 14 2.401 18.113 3.493 1.00 0.00 N ATOM 217 CA VAL A 14 3.604 17.917 2.644 1.00 0.00 C ATOM 218 C VAL A 14 3.619 18.894 1.445 1.00 0.00 C ATOM 219 O VAL A 14 4.599 19.614 1.226 1.00 0.00 O ATOM 220 CB VAL A 14 3.694 16.414 2.140 1.00 0.00 C ATOM 221 CG1 VAL A 14 4.770 16.219 1.037 1.00 0.00 C ATOM 222 CG2 VAL A 14 3.956 15.445 3.327 1.00 0.00 C ATOM 0 H VAL A 14 1.804 17.287 3.539 1.00 0.00 H new ATOM 0 HA VAL A 14 4.479 18.132 3.257 1.00 0.00 H new ATOM 0 HB VAL A 14 2.728 16.177 1.695 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.790 15.174 0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.529 16.846 0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.748 16.500 1.429 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.013 14.422 2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.896 15.709 3.811 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.142 15.524 4.048 1.00 0.00 H new ATOM 232 N PHE A 15 2.513 18.917 0.690 1.00 0.00 N ATOM 233 CA PHE A 15 2.361 19.784 -0.495 1.00 0.00 C ATOM 234 C PHE A 15 1.938 21.214 -0.092 1.00 0.00 C ATOM 235 O PHE A 15 1.967 22.122 -0.937 1.00 0.00 O ATOM 236 CB PHE A 15 1.351 19.165 -1.489 1.00 0.00 C ATOM 237 CG PHE A 15 1.741 17.765 -1.975 1.00 0.00 C ATOM 238 CD1 PHE A 15 2.757 17.590 -2.914 1.00 0.00 C ATOM 239 CD2 PHE A 15 1.111 16.625 -1.474 1.00 0.00 C ATOM 240 CE1 PHE A 15 3.116 16.325 -3.338 1.00 0.00 C ATOM 241 CE2 PHE A 15 1.477 15.361 -1.901 1.00 0.00 C ATOM 242 CZ PHE A 15 2.480 15.214 -2.830 1.00 0.00 C ATOM 0 H PHE A 15 1.696 18.337 0.880 1.00 0.00 H new ATOM 0 HA PHE A 15 3.330 19.857 -0.990 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.372 19.115 -1.013 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.253 19.825 -2.351 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.269 18.453 -3.314 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.325 16.731 -0.741 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.900 16.207 -4.072 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.975 14.490 -1.505 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.769 14.228 -3.161 1.00 0.00 H new ATOM 252 N ASP A 16 1.527 21.390 1.198 1.00 0.00 N ATOM 253 CA ASP A 16 1.239 22.718 1.812 1.00 0.00 C ATOM 254 C ASP A 16 0.036 23.394 1.103 1.00 0.00 C ATOM 255 O ASP A 16 -0.073 24.623 1.017 1.00 0.00 O ATOM 256 CB ASP A 16 2.534 23.596 1.802 1.00 0.00 C ATOM 257 CG ASP A 16 2.427 24.920 2.589 1.00 0.00 C ATOM 258 OD1 ASP A 16 2.506 24.886 3.837 1.00 0.00 O ATOM 259 OD2 ASP A 16 2.285 25.997 1.967 1.00 0.00 O ATOM 0 H ASP A 16 1.386 20.611 1.841 1.00 0.00 H new ATOM 0 HA ASP A 16 0.947 22.591 2.854 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.356 23.010 2.214 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.793 23.825 0.768 1.00 0.00 H new ATOM 264 N ASP A 17 -0.901 22.556 0.637 1.00 0.00 N ATOM 265 CA ASP A 17 -2.056 22.999 -0.159 1.00 0.00 C ATOM 266 C ASP A 17 -3.329 22.283 0.317 1.00 0.00 C ATOM 267 O ASP A 17 -3.409 21.058 0.263 1.00 0.00 O ATOM 268 CB ASP A 17 -1.787 22.734 -1.668 1.00 0.00 C ATOM 269 CG ASP A 17 -2.975 23.115 -2.571 1.00 0.00 C ATOM 270 OD1 ASP A 17 -3.200 24.324 -2.812 1.00 0.00 O ATOM 271 OD2 ASP A 17 -3.698 22.212 -3.029 1.00 0.00 O ATOM 0 H ASP A 17 -0.880 21.550 0.802 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.204 24.070 -0.023 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.907 23.298 -1.978 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.555 21.678 -1.809 1.00 0.00 H new ATOM 276 N ASP A 18 -4.313 23.067 0.804 1.00 0.00 N ATOM 277 CA ASP A 18 -5.609 22.549 1.300 1.00 0.00 C ATOM 278 C ASP A 18 -6.581 22.236 0.135 1.00 0.00 C ATOM 279 O ASP A 18 -7.558 21.497 0.315 1.00 0.00 O ATOM 280 CB ASP A 18 -6.234 23.580 2.282 1.00 0.00 C ATOM 281 CG ASP A 18 -7.607 23.160 2.852 1.00 0.00 C ATOM 282 OD1 ASP A 18 -7.663 22.204 3.664 1.00 0.00 O ATOM 283 OD2 ASP A 18 -8.634 23.791 2.511 1.00 0.00 O ATOM 0 H ASP A 18 -4.232 24.082 0.865 1.00 0.00 H new ATOM 0 HA ASP A 18 -5.430 21.611 1.827 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.543 23.741 3.110 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.343 24.535 1.768 1.00 0.00 H new ATOM 288 N SER A 19 -6.282 22.772 -1.072 1.00 0.00 N ATOM 289 CA SER A 19 -7.144 22.602 -2.269 1.00 0.00 C ATOM 290 C SER A 19 -7.176 21.126 -2.732 1.00 0.00 C ATOM 291 O SER A 19 -8.056 20.734 -3.504 1.00 0.00 O ATOM 292 CB SER A 19 -6.666 23.512 -3.427 1.00 0.00 C ATOM 293 OG SER A 19 -6.441 24.833 -2.985 1.00 0.00 O ATOM 0 H SER A 19 -5.445 23.329 -1.244 1.00 0.00 H new ATOM 0 HA SER A 19 -8.156 22.895 -1.988 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.748 23.108 -3.854 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.412 23.515 -4.221 1.00 0.00 H new ATOM 0 HG SER A 19 -5.483 24.966 -2.825 1.00 0.00 H new ATOM 299 N ILE A 20 -6.190 20.339 -2.259 1.00 0.00 N ATOM 300 CA ILE A 20 -6.116 18.885 -2.471 1.00 0.00 C ATOM 301 C ILE A 20 -7.341 18.175 -1.853 1.00 0.00 C ATOM 302 O ILE A 20 -7.512 18.177 -0.635 1.00 0.00 O ATOM 303 CB ILE A 20 -4.796 18.294 -1.827 1.00 0.00 C ATOM 304 CG1 ILE A 20 -3.526 18.990 -2.402 1.00 0.00 C ATOM 305 CG2 ILE A 20 -4.703 16.762 -2.017 1.00 0.00 C ATOM 306 CD1 ILE A 20 -2.223 18.594 -1.726 1.00 0.00 C ATOM 0 H ILE A 20 -5.411 20.704 -1.710 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.105 18.709 -3.547 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.845 18.497 -0.757 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.452 18.760 -3.465 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.650 20.070 -2.317 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.784 16.394 -1.562 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.560 16.284 -1.542 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.700 16.527 -3.081 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.395 19.128 -2.192 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.270 18.850 -0.667 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.069 17.520 -1.833 1.00 0.00 H new ATOM 318 N VAL A 21 -8.197 17.599 -2.707 1.00 0.00 N ATOM 319 CA VAL A 21 -9.318 16.742 -2.292 1.00 0.00 C ATOM 320 C VAL A 21 -9.126 15.385 -2.989 1.00 0.00 C ATOM 321 O VAL A 21 -9.205 15.293 -4.219 1.00 0.00 O ATOM 322 CB VAL A 21 -10.724 17.372 -2.633 1.00 0.00 C ATOM 323 CG1 VAL A 21 -11.888 16.465 -2.148 1.00 0.00 C ATOM 324 CG2 VAL A 21 -10.855 18.795 -2.026 1.00 0.00 C ATOM 0 H VAL A 21 -8.131 17.716 -3.718 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.313 16.629 -1.208 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.792 17.451 -3.718 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.841 16.930 -2.400 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.819 15.493 -2.636 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.822 16.335 -1.068 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.833 19.208 -2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.750 18.740 -0.943 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.075 19.438 -2.434 1.00 0.00 H new ATOM 334 N LEU A 22 -8.833 14.354 -2.188 1.00 0.00 N ATOM 335 CA LEU A 22 -8.377 13.047 -2.682 1.00 0.00 C ATOM 336 C LEU A 22 -9.539 12.179 -3.176 1.00 0.00 C ATOM 337 O LEU A 22 -10.619 12.157 -2.579 1.00 0.00 O ATOM 338 CB LEU A 22 -7.601 12.320 -1.558 1.00 0.00 C ATOM 339 CG LEU A 22 -6.332 13.068 -1.042 1.00 0.00 C ATOM 340 CD1 LEU A 22 -5.680 12.331 0.139 1.00 0.00 C ATOM 341 CD2 LEU A 22 -5.318 13.291 -2.191 1.00 0.00 C ATOM 0 H LEU A 22 -8.906 14.402 -1.172 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.722 13.217 -3.537 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.276 12.158 -0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.302 11.337 -1.921 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.651 14.044 -0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.800 12.882 0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.393 12.258 0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.384 11.330 -0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.442 13.814 -1.807 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.015 12.328 -2.601 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.782 13.889 -2.975 1.00 0.00 H new ATOM 353 N THR A 23 -9.283 11.469 -4.281 1.00 0.00 N ATOM 354 CA THR A 23 -10.159 10.421 -4.822 1.00 0.00 C ATOM 355 C THR A 23 -9.308 9.169 -5.074 1.00 0.00 C ATOM 356 O THR A 23 -8.078 9.181 -4.885 1.00 0.00 O ATOM 357 CB THR A 23 -10.851 10.844 -6.165 1.00 0.00 C ATOM 358 OG1 THR A 23 -9.852 11.167 -7.145 1.00 0.00 O ATOM 359 CG2 THR A 23 -11.806 12.029 -5.987 1.00 0.00 C ATOM 0 H THR A 23 -8.440 11.610 -4.838 1.00 0.00 H new ATOM 0 HA THR A 23 -10.950 10.235 -4.095 1.00 0.00 H new ATOM 0 HB THR A 23 -11.448 9.997 -6.502 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.203 11.790 -6.757 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.257 12.280 -6.947 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.589 11.762 -5.277 1.00 0.00 H new ATOM 0 HG23 THR A 23 -11.252 12.889 -5.610 1.00 0.00 H new ATOM 367 N ARG A 24 -9.969 8.092 -5.522 1.00 0.00 N ATOM 368 CA ARG A 24 -9.301 6.842 -5.922 1.00 0.00 C ATOM 369 C ARG A 24 -8.471 7.019 -7.222 1.00 0.00 C ATOM 370 O ARG A 24 -7.660 6.150 -7.560 1.00 0.00 O ATOM 371 CB ARG A 24 -10.352 5.716 -6.101 1.00 0.00 C ATOM 372 CG ARG A 24 -11.242 5.463 -4.857 1.00 0.00 C ATOM 373 CD ARG A 24 -12.325 4.395 -5.117 1.00 0.00 C ATOM 374 NE ARG A 24 -13.288 4.257 -4.006 1.00 0.00 N ATOM 375 CZ ARG A 24 -14.212 3.283 -3.909 1.00 0.00 C ATOM 376 NH1 ARG A 24 -14.293 2.319 -4.823 1.00 0.00 N ATOM 377 NH2 ARG A 24 -15.064 3.293 -2.901 1.00 0.00 N ATOM 0 H ARG A 24 -10.984 8.062 -5.618 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.606 6.566 -5.129 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.993 5.966 -6.946 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.835 4.791 -6.356 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.615 5.146 -4.024 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.720 6.396 -4.559 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.866 4.651 -6.028 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.843 3.433 -5.292 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.250 4.950 -3.258 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.648 2.310 -5.613 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.000 1.589 -4.733 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -15.019 4.035 -2.203 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.767 2.559 -2.820 1.00 0.00 H new ATOM 391 N GLU A 25 -8.678 8.154 -7.932 1.00 0.00 N ATOM 392 CA GLU A 25 -8.041 8.442 -9.236 1.00 0.00 C ATOM 393 C GLU A 25 -7.169 9.717 -9.199 1.00 0.00 C ATOM 394 O GLU A 25 -6.545 10.062 -10.214 1.00 0.00 O ATOM 395 CB GLU A 25 -9.144 8.553 -10.316 1.00 0.00 C ATOM 396 CG GLU A 25 -10.237 9.593 -9.991 1.00 0.00 C ATOM 397 CD GLU A 25 -11.422 9.556 -10.959 1.00 0.00 C ATOM 398 OE1 GLU A 25 -12.345 8.734 -10.750 1.00 0.00 O ATOM 399 OE2 GLU A 25 -11.436 10.333 -11.936 1.00 0.00 O ATOM 0 H GLU A 25 -9.296 8.899 -7.612 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.365 7.622 -9.478 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.681 8.813 -11.268 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.612 7.577 -10.445 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.600 9.422 -8.978 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.796 10.589 -10.007 1.00 0.00 H new ATOM 406 N THR A 26 -7.140 10.435 -8.048 1.00 0.00 N ATOM 407 CA THR A 26 -6.164 11.535 -7.825 1.00 0.00 C ATOM 408 C THR A 26 -4.752 10.929 -7.798 1.00 0.00 C ATOM 409 O THR A 26 -4.598 9.833 -7.281 1.00 0.00 O ATOM 410 CB THR A 26 -6.438 12.293 -6.474 1.00 0.00 C ATOM 411 OG1 THR A 26 -7.767 12.825 -6.474 1.00 0.00 O ATOM 412 CG2 THR A 26 -5.440 13.443 -6.210 1.00 0.00 C ATOM 0 H THR A 26 -7.775 10.275 -7.266 1.00 0.00 H new ATOM 0 HA THR A 26 -6.262 12.260 -8.633 1.00 0.00 H new ATOM 0 HB THR A 26 -6.313 11.559 -5.678 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.879 13.425 -5.707 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.683 13.926 -5.263 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.427 13.042 -6.164 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.505 14.173 -7.017 1.00 0.00 H new ATOM 420 N SER A 27 -3.743 11.623 -8.352 1.00 0.00 N ATOM 421 CA SER A 27 -2.369 11.087 -8.475 1.00 0.00 C ATOM 422 C SER A 27 -1.345 12.218 -8.698 1.00 0.00 C ATOM 423 O SER A 27 -1.672 13.406 -8.553 1.00 0.00 O ATOM 424 CB SER A 27 -2.330 10.071 -9.645 1.00 0.00 C ATOM 425 OG SER A 27 -2.764 10.660 -10.859 1.00 0.00 O ATOM 0 H SER A 27 -3.852 12.566 -8.726 1.00 0.00 H new ATOM 0 HA SER A 27 -2.097 10.586 -7.546 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.315 9.692 -9.766 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.963 9.216 -9.407 1.00 0.00 H new ATOM 0 HG SER A 27 -3.279 11.471 -10.664 1.00 0.00 H new ATOM 431 N ALA A 28 -0.095 11.817 -9.027 1.00 0.00 N ATOM 432 CA ALA A 28 1.008 12.731 -9.385 1.00 0.00 C ATOM 433 C ALA A 28 0.657 13.666 -10.564 1.00 0.00 C ATOM 434 O ALA A 28 1.189 14.779 -10.666 1.00 0.00 O ATOM 435 CB ALA A 28 2.252 11.899 -9.705 1.00 0.00 C ATOM 0 H ALA A 28 0.177 10.834 -9.051 1.00 0.00 H new ATOM 0 HA ALA A 28 1.197 13.383 -8.532 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.075 12.562 -9.971 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.530 11.309 -8.832 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.039 11.232 -10.540 1.00 0.00 H new ATOM 441 N ASN A 29 -0.249 13.189 -11.430 1.00 0.00 N ATOM 442 CA ASN A 29 -0.778 13.943 -12.585 1.00 0.00 C ATOM 443 C ASN A 29 -1.632 15.158 -12.142 1.00 0.00 C ATOM 444 O ASN A 29 -1.612 16.210 -12.782 1.00 0.00 O ATOM 445 CB ASN A 29 -1.621 12.961 -13.448 1.00 0.00 C ATOM 446 CG ASN A 29 -2.525 13.625 -14.502 1.00 0.00 C ATOM 447 OD1 ASN A 29 -2.093 13.914 -15.620 1.00 0.00 O ATOM 448 ND2 ASN A 29 -3.795 13.838 -14.160 1.00 0.00 N ATOM 0 H ASN A 29 -0.644 12.252 -11.349 1.00 0.00 H new ATOM 0 HA ASN A 29 0.052 14.347 -13.164 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -0.943 12.274 -13.955 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.244 12.362 -12.784 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -4.442 14.252 -14.832 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.121 13.587 -13.226 1.00 0.00 H new ATOM 455 N ASP A 30 -2.389 14.978 -11.051 1.00 0.00 N ATOM 456 CA ASP A 30 -3.421 15.943 -10.601 1.00 0.00 C ATOM 457 C ASP A 30 -2.848 17.072 -9.732 1.00 0.00 C ATOM 458 O ASP A 30 -3.516 18.087 -9.523 1.00 0.00 O ATOM 459 CB ASP A 30 -4.524 15.179 -9.833 1.00 0.00 C ATOM 460 CG ASP A 30 -5.171 14.090 -10.706 1.00 0.00 C ATOM 461 OD1 ASP A 30 -4.622 12.969 -10.773 1.00 0.00 O ATOM 462 OD2 ASP A 30 -6.200 14.361 -11.358 1.00 0.00 O ATOM 0 H ASP A 30 -2.308 14.159 -10.449 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.836 16.422 -11.488 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.097 14.724 -8.939 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.289 15.881 -9.499 1.00 0.00 H new ATOM 467 N ILE A 31 -1.618 16.894 -9.226 1.00 0.00 N ATOM 468 CA ILE A 31 -0.929 17.898 -8.386 1.00 0.00 C ATOM 469 C ILE A 31 0.367 18.293 -9.098 1.00 0.00 C ATOM 470 O ILE A 31 1.270 17.470 -9.226 1.00 0.00 O ATOM 471 CB ILE A 31 -0.632 17.345 -6.931 1.00 0.00 C ATOM 472 CG1 ILE A 31 -1.975 17.011 -6.191 1.00 0.00 C ATOM 473 CG2 ILE A 31 0.245 18.331 -6.098 1.00 0.00 C ATOM 474 CD1 ILE A 31 -1.830 16.412 -4.797 1.00 0.00 C ATOM 0 H ILE A 31 -1.068 16.050 -9.385 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.572 18.769 -8.256 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.056 16.426 -7.035 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.563 17.925 -6.114 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.545 16.316 -6.808 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.424 17.912 -5.108 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.198 18.486 -6.604 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.273 19.285 -6.000 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.818 16.221 -4.379 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.275 15.476 -4.859 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.293 17.110 -4.155 1.00 0.00 H new ATOM 486 N ASP A 32 0.424 19.540 -9.600 1.00 0.00 N ATOM 487 CA ASP A 32 1.575 20.058 -10.378 1.00 0.00 C ATOM 488 C ASP A 32 2.875 20.064 -9.547 1.00 0.00 C ATOM 489 O ASP A 32 3.953 19.747 -10.066 1.00 0.00 O ATOM 490 CB ASP A 32 1.256 21.486 -10.907 1.00 0.00 C ATOM 491 CG ASP A 32 2.400 22.118 -11.734 1.00 0.00 C ATOM 492 OD1 ASP A 32 2.583 21.738 -12.910 1.00 0.00 O ATOM 493 OD2 ASP A 32 3.118 23.002 -11.210 1.00 0.00 O ATOM 0 H ASP A 32 -0.325 20.221 -9.480 1.00 0.00 H new ATOM 0 HA ASP A 32 1.737 19.389 -11.223 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.357 21.443 -11.522 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.032 22.135 -10.060 1.00 0.00 H new ATOM 498 N ALA A 33 2.755 20.404 -8.256 1.00 0.00 N ATOM 499 CA ALA A 33 3.905 20.478 -7.327 1.00 0.00 C ATOM 500 C ALA A 33 4.412 19.080 -6.878 1.00 0.00 C ATOM 501 O ALA A 33 5.407 18.992 -6.147 1.00 0.00 O ATOM 502 CB ALA A 33 3.529 21.330 -6.106 1.00 0.00 C ATOM 0 H ALA A 33 1.862 20.636 -7.821 1.00 0.00 H new ATOM 0 HA ALA A 33 4.728 20.946 -7.867 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.378 21.383 -5.424 1.00 0.00 H new ATOM 0 HB2 ALA A 33 3.263 22.335 -6.432 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.680 20.878 -5.594 1.00 0.00 H new ATOM 508 N TRP A 34 3.719 18.000 -7.300 1.00 0.00 N ATOM 509 CA TRP A 34 4.090 16.609 -6.963 1.00 0.00 C ATOM 510 C TRP A 34 5.253 16.126 -7.862 1.00 0.00 C ATOM 511 O TRP A 34 5.031 15.483 -8.887 1.00 0.00 O ATOM 512 CB TRP A 34 2.833 15.688 -7.115 1.00 0.00 C ATOM 513 CG TRP A 34 2.924 14.289 -6.521 1.00 0.00 C ATOM 514 CD1 TRP A 34 4.015 13.470 -6.421 1.00 0.00 C ATOM 515 CD2 TRP A 34 1.828 13.540 -5.979 1.00 0.00 C ATOM 516 NE1 TRP A 34 3.658 12.287 -5.839 1.00 0.00 N ATOM 517 CE2 TRP A 34 2.332 12.306 -5.559 1.00 0.00 C ATOM 518 CE3 TRP A 34 0.472 13.806 -5.801 1.00 0.00 C ATOM 519 CZ2 TRP A 34 1.535 11.334 -4.978 1.00 0.00 C ATOM 520 CZ3 TRP A 34 -0.323 12.842 -5.230 1.00 0.00 C ATOM 521 CH2 TRP A 34 0.212 11.616 -4.821 1.00 0.00 C ATOM 0 H TRP A 34 2.886 18.069 -7.884 1.00 0.00 H new ATOM 0 HA TRP A 34 4.434 16.563 -5.930 1.00 0.00 H new ATOM 0 HB2 TRP A 34 1.984 16.196 -6.657 1.00 0.00 H new ATOM 0 HB3 TRP A 34 2.611 15.591 -8.178 1.00 0.00 H new ATOM 0 HD1 TRP A 34 5.011 13.722 -6.753 1.00 0.00 H new ATOM 0 HE1 TRP A 34 4.290 11.511 -5.645 1.00 0.00 H new ATOM 0 HE3 TRP A 34 0.053 14.753 -6.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 1.947 10.387 -4.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -1.377 13.034 -5.095 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -0.437 10.879 -4.372 1.00 0.00 H new ATOM 532 N ASP A 35 6.485 16.509 -7.505 1.00 0.00 N ATOM 533 CA ASP A 35 7.709 15.877 -8.039 1.00 0.00 C ATOM 534 C ASP A 35 7.933 14.490 -7.421 1.00 0.00 C ATOM 535 O ASP A 35 7.215 14.079 -6.510 1.00 0.00 O ATOM 536 CB ASP A 35 8.942 16.782 -7.766 1.00 0.00 C ATOM 537 CG ASP A 35 8.917 18.074 -8.594 1.00 0.00 C ATOM 538 OD1 ASP A 35 9.453 18.080 -9.726 1.00 0.00 O ATOM 539 OD2 ASP A 35 8.339 19.082 -8.124 1.00 0.00 O ATOM 0 H ASP A 35 6.667 17.262 -6.841 1.00 0.00 H new ATOM 0 HA ASP A 35 7.582 15.755 -9.115 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.976 17.034 -6.706 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.853 16.227 -7.991 1.00 0.00 H new ATOM 544 N SER A 36 8.950 13.783 -7.944 1.00 0.00 N ATOM 545 CA SER A 36 9.471 12.516 -7.372 1.00 0.00 C ATOM 546 C SER A 36 9.957 12.740 -5.938 1.00 0.00 C ATOM 547 O SER A 36 9.779 11.901 -5.057 1.00 0.00 O ATOM 548 CB SER A 36 10.642 11.990 -8.254 1.00 0.00 C ATOM 549 OG SER A 36 10.487 12.422 -9.607 1.00 0.00 O ATOM 0 H SER A 36 9.444 14.074 -8.787 1.00 0.00 H new ATOM 0 HA SER A 36 8.670 11.777 -7.356 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.592 12.350 -7.859 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.672 10.901 -8.216 1.00 0.00 H new ATOM 0 HG SER A 36 11.232 12.084 -10.146 1.00 0.00 H new ATOM 554 N LEU A 37 10.561 13.915 -5.758 1.00 0.00 N ATOM 555 CA LEU A 37 11.083 14.399 -4.482 1.00 0.00 C ATOM 556 C LEU A 37 9.923 14.566 -3.478 1.00 0.00 C ATOM 557 O LEU A 37 10.002 14.092 -2.341 1.00 0.00 O ATOM 558 CB LEU A 37 11.835 15.750 -4.687 1.00 0.00 C ATOM 559 CG LEU A 37 13.143 15.742 -5.559 1.00 0.00 C ATOM 560 CD1 LEU A 37 14.201 14.766 -5.008 1.00 0.00 C ATOM 561 CD2 LEU A 37 12.863 15.493 -7.062 1.00 0.00 C ATOM 0 H LEU A 37 10.704 14.576 -6.521 1.00 0.00 H new ATOM 0 HA LEU A 37 11.791 13.673 -4.082 1.00 0.00 H new ATOM 0 HB2 LEU A 37 11.137 16.455 -5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.092 16.142 -3.703 1.00 0.00 H new ATOM 0 HG LEU A 37 13.559 16.747 -5.485 1.00 0.00 H new ATOM 0 HD11 LEU A 37 15.087 14.794 -5.642 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.472 15.058 -3.993 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.794 13.755 -4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 37 13.803 15.499 -7.613 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.375 14.526 -7.186 1.00 0.00 H new ATOM 0 HD23 LEU A 37 12.213 16.279 -7.446 1.00 0.00 H new ATOM 573 N SER A 38 8.825 15.181 -3.955 1.00 0.00 N ATOM 574 CA SER A 38 7.604 15.436 -3.162 1.00 0.00 C ATOM 575 C SER A 38 6.874 14.107 -2.827 1.00 0.00 C ATOM 576 O SER A 38 6.278 13.970 -1.750 1.00 0.00 O ATOM 577 CB SER A 38 6.679 16.377 -3.964 1.00 0.00 C ATOM 578 OG SER A 38 7.370 17.530 -4.429 1.00 0.00 O ATOM 0 H SER A 38 8.758 15.520 -4.915 1.00 0.00 H new ATOM 0 HA SER A 38 7.877 15.907 -2.218 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.261 15.837 -4.814 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.842 16.684 -3.337 1.00 0.00 H new ATOM 0 HG SER A 38 6.782 18.048 -5.018 1.00 0.00 H new ATOM 584 N HIS A 39 6.932 13.155 -3.783 1.00 0.00 N ATOM 585 CA HIS A 39 6.404 11.780 -3.631 1.00 0.00 C ATOM 586 C HIS A 39 7.112 11.067 -2.468 1.00 0.00 C ATOM 587 O HIS A 39 6.471 10.434 -1.623 1.00 0.00 O ATOM 588 CB HIS A 39 6.591 10.993 -4.966 1.00 0.00 C ATOM 589 CG HIS A 39 5.968 9.612 -4.998 1.00 0.00 C ATOM 590 ND1 HIS A 39 4.617 9.441 -5.185 1.00 0.00 N ATOM 591 CD2 HIS A 39 6.552 8.390 -4.879 1.00 0.00 C ATOM 592 CE1 HIS A 39 4.411 8.132 -5.175 1.00 0.00 C ATOM 593 NE2 HIS A 39 5.554 7.458 -4.992 1.00 0.00 N ATOM 0 H HIS A 39 7.353 13.322 -4.697 1.00 0.00 H new ATOM 0 HA HIS A 39 5.339 11.825 -3.402 1.00 0.00 H new ATOM 0 HB2 HIS A 39 6.167 11.583 -5.779 1.00 0.00 H new ATOM 0 HB3 HIS A 39 7.658 10.896 -5.165 1.00 0.00 H new ATOM 0 HD2 HIS A 39 7.602 8.192 -4.725 1.00 0.00 H new ATOM 0 HE1 HIS A 39 3.444 7.667 -5.299 1.00 0.00 H new ATOM 0 HE2 HIS A 39 5.661 6.445 -4.946 1.00 0.00 H new ATOM 601 N MET A 40 8.444 11.223 -2.419 1.00 0.00 N ATOM 602 CA MET A 40 9.280 10.620 -1.369 1.00 0.00 C ATOM 603 C MET A 40 9.010 11.278 -0.003 1.00 0.00 C ATOM 604 O MET A 40 8.979 10.577 1.008 1.00 0.00 O ATOM 605 CB MET A 40 10.779 10.701 -1.739 1.00 0.00 C ATOM 606 CG MET A 40 11.179 9.824 -2.935 1.00 0.00 C ATOM 607 SD MET A 40 10.844 8.062 -2.670 1.00 0.00 S ATOM 608 CE MET A 40 11.925 7.679 -1.292 1.00 0.00 C ATOM 0 H MET A 40 8.970 11.768 -3.102 1.00 0.00 H new ATOM 0 HA MET A 40 9.012 9.566 -1.291 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.031 11.738 -1.962 1.00 0.00 H new ATOM 0 HB3 MET A 40 11.372 10.408 -0.873 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.640 10.161 -3.821 1.00 0.00 H new ATOM 0 HG3 MET A 40 12.241 9.959 -3.137 1.00 0.00 H new ATOM 0 HE1 MET A 40 11.996 6.598 -1.175 1.00 0.00 H new ATOM 0 HE2 MET A 40 12.917 8.089 -1.483 1.00 0.00 H new ATOM 0 HE3 MET A 40 11.521 8.117 -0.380 1.00 0.00 H new ATOM 618 N ASN A 41 8.791 12.622 0.011 1.00 0.00 N ATOM 619 CA ASN A 41 8.390 13.359 1.246 1.00 0.00 C ATOM 620 C ASN A 41 7.072 12.796 1.804 1.00 0.00 C ATOM 621 O ASN A 41 6.929 12.606 3.013 1.00 0.00 O ATOM 622 CB ASN A 41 8.215 14.889 1.002 1.00 0.00 C ATOM 623 CG ASN A 41 9.530 15.652 0.879 1.00 0.00 C ATOM 624 OD1 ASN A 41 10.144 16.012 1.882 1.00 0.00 O ATOM 625 ND2 ASN A 41 9.959 15.930 -0.335 1.00 0.00 N ATOM 0 H ASN A 41 8.884 13.215 -0.813 1.00 0.00 H new ATOM 0 HA ASN A 41 9.199 13.219 1.963 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.634 15.037 0.092 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.636 15.313 1.822 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.823 16.458 -0.462 1.00 0.00 H new ATOM 0 HD22 ASN A 41 9.428 15.618 -1.148 1.00 0.00 H new ATOM 632 N LEU A 42 6.132 12.519 0.891 1.00 0.00 N ATOM 633 CA LEU A 42 4.789 12.016 1.226 1.00 0.00 C ATOM 634 C LEU A 42 4.878 10.623 1.903 1.00 0.00 C ATOM 635 O LEU A 42 4.321 10.408 2.996 1.00 0.00 O ATOM 636 CB LEU A 42 3.926 11.999 -0.086 1.00 0.00 C ATOM 637 CG LEU A 42 2.365 11.943 0.058 1.00 0.00 C ATOM 638 CD1 LEU A 42 1.861 10.567 0.534 1.00 0.00 C ATOM 639 CD2 LEU A 42 1.857 13.076 0.976 1.00 0.00 C ATOM 0 H LEU A 42 6.282 12.638 -0.111 1.00 0.00 H new ATOM 0 HA LEU A 42 4.304 12.671 1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.176 12.890 -0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.237 11.139 -0.679 1.00 0.00 H new ATOM 0 HG LEU A 42 1.949 12.095 -0.938 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.774 10.586 0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.157 9.803 -0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.294 10.338 1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.772 13.017 1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.304 12.972 1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.136 14.041 0.552 1.00 0.00 H new ATOM 651 N ILE A 43 5.608 9.705 1.252 1.00 0.00 N ATOM 652 CA ILE A 43 5.739 8.309 1.702 1.00 0.00 C ATOM 653 C ILE A 43 6.475 8.235 3.065 1.00 0.00 C ATOM 654 O ILE A 43 5.987 7.568 3.980 1.00 0.00 O ATOM 655 CB ILE A 43 6.424 7.400 0.582 1.00 0.00 C ATOM 656 CG1 ILE A 43 5.371 6.877 -0.464 1.00 0.00 C ATOM 657 CG2 ILE A 43 7.211 6.199 1.175 1.00 0.00 C ATOM 658 CD1 ILE A 43 4.591 7.933 -1.225 1.00 0.00 C ATOM 0 H ILE A 43 6.125 9.909 0.397 1.00 0.00 H new ATOM 0 HA ILE A 43 4.740 7.903 1.859 1.00 0.00 H new ATOM 0 HB ILE A 43 7.139 8.048 0.076 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.891 6.250 -1.188 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.659 6.238 0.059 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.654 5.619 0.365 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.000 6.569 1.830 1.00 0.00 H new ATOM 0 HG23 ILE A 43 6.532 5.566 1.746 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.899 7.448 -1.914 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.031 8.549 -0.522 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.282 8.561 -1.787 1.00 0.00 H new ATOM 670 N VAL A 44 7.604 8.977 3.225 1.00 0.00 N ATOM 671 CA VAL A 44 8.395 8.950 4.482 1.00 0.00 C ATOM 672 C VAL A 44 7.600 9.535 5.678 1.00 0.00 C ATOM 673 O VAL A 44 7.842 9.160 6.833 1.00 0.00 O ATOM 674 CB VAL A 44 9.783 9.680 4.356 1.00 0.00 C ATOM 675 CG1 VAL A 44 10.664 9.036 3.258 1.00 0.00 C ATOM 676 CG2 VAL A 44 9.626 11.201 4.131 1.00 0.00 C ATOM 0 H VAL A 44 7.982 9.594 2.506 1.00 0.00 H new ATOM 0 HA VAL A 44 8.595 7.896 4.672 1.00 0.00 H new ATOM 0 HB VAL A 44 10.294 9.552 5.310 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.615 9.565 3.198 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.845 7.990 3.504 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.153 9.099 2.298 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.611 11.660 4.050 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.067 11.377 3.212 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.089 11.640 4.972 1.00 0.00 H new ATOM 686 N SER A 45 6.664 10.459 5.379 1.00 0.00 N ATOM 687 CA SER A 45 5.715 10.992 6.378 1.00 0.00 C ATOM 688 C SER A 45 4.785 9.880 6.893 1.00 0.00 C ATOM 689 O SER A 45 4.575 9.753 8.098 1.00 0.00 O ATOM 690 CB SER A 45 4.884 12.149 5.784 1.00 0.00 C ATOM 691 OG SER A 45 5.716 13.229 5.412 1.00 0.00 O ATOM 0 H SER A 45 6.545 10.854 4.446 1.00 0.00 H new ATOM 0 HA SER A 45 6.294 11.378 7.217 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.330 11.795 4.914 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.149 12.486 6.515 1.00 0.00 H new ATOM 0 HG SER A 45 6.057 13.082 4.505 1.00 0.00 H new ATOM 697 N LEU A 46 4.269 9.053 5.973 1.00 0.00 N ATOM 698 CA LEU A 46 3.375 7.927 6.323 1.00 0.00 C ATOM 699 C LEU A 46 4.108 6.857 7.166 1.00 0.00 C ATOM 700 O LEU A 46 3.512 6.248 8.067 1.00 0.00 O ATOM 701 CB LEU A 46 2.799 7.296 5.035 1.00 0.00 C ATOM 702 CG LEU A 46 1.922 8.239 4.154 1.00 0.00 C ATOM 703 CD1 LEU A 46 1.540 7.571 2.813 1.00 0.00 C ATOM 704 CD2 LEU A 46 0.670 8.693 4.931 1.00 0.00 C ATOM 0 H LEU A 46 4.454 9.139 4.974 1.00 0.00 H new ATOM 0 HA LEU A 46 2.559 8.319 6.930 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.628 6.930 4.429 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.201 6.429 5.313 1.00 0.00 H new ATOM 0 HG LEU A 46 2.514 9.122 3.914 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.929 8.257 2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.445 7.325 2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.975 6.659 3.008 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.070 9.350 4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.080 7.821 5.212 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.974 9.230 5.830 1.00 0.00 H new ATOM 716 N GLU A 47 5.402 6.663 6.861 1.00 0.00 N ATOM 717 CA GLU A 47 6.288 5.721 7.575 1.00 0.00 C ATOM 718 C GLU A 47 6.370 6.072 9.066 1.00 0.00 C ATOM 719 O GLU A 47 6.021 5.259 9.924 1.00 0.00 O ATOM 720 CB GLU A 47 7.718 5.748 6.952 1.00 0.00 C ATOM 721 CG GLU A 47 7.790 5.402 5.450 1.00 0.00 C ATOM 722 CD GLU A 47 7.556 3.920 5.121 1.00 0.00 C ATOM 723 OE1 GLU A 47 6.407 3.457 5.221 1.00 0.00 O ATOM 724 OE2 GLU A 47 8.529 3.223 4.741 1.00 0.00 O ATOM 0 H GLU A 47 5.870 7.160 6.103 1.00 0.00 H new ATOM 0 HA GLU A 47 5.869 4.720 7.474 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.142 6.741 7.100 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.348 5.048 7.500 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.050 6.000 4.918 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.769 5.694 5.070 1.00 0.00 H new ATOM 731 N VAL A 48 6.813 7.308 9.354 1.00 0.00 N ATOM 732 CA VAL A 48 7.051 7.773 10.726 1.00 0.00 C ATOM 733 C VAL A 48 5.737 7.925 11.524 1.00 0.00 C ATOM 734 O VAL A 48 5.702 7.615 12.714 1.00 0.00 O ATOM 735 CB VAL A 48 7.872 9.111 10.756 1.00 0.00 C ATOM 736 CG1 VAL A 48 9.262 8.920 10.108 1.00 0.00 C ATOM 737 CG2 VAL A 48 7.107 10.288 10.088 1.00 0.00 C ATOM 0 H VAL A 48 7.015 8.010 8.642 1.00 0.00 H new ATOM 0 HA VAL A 48 7.648 7.001 11.212 1.00 0.00 H new ATOM 0 HB VAL A 48 8.012 9.375 11.804 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.811 9.861 10.141 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.816 8.157 10.654 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.140 8.607 9.071 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.716 11.191 10.134 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.900 10.043 9.046 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.168 10.457 10.615 1.00 0.00 H new ATOM 747 N HIS A 49 4.671 8.410 10.857 1.00 0.00 N ATOM 748 CA HIS A 49 3.337 8.592 11.473 1.00 0.00 C ATOM 749 C HIS A 49 2.730 7.252 11.942 1.00 0.00 C ATOM 750 O HIS A 49 2.490 7.050 13.143 1.00 0.00 O ATOM 751 CB HIS A 49 2.359 9.317 10.488 1.00 0.00 C ATOM 752 CG HIS A 49 2.410 10.824 10.540 1.00 0.00 C ATOM 753 ND1 HIS A 49 3.240 11.717 9.956 1.00 0.00 N flip ATOM 754 CD2 HIS A 49 1.503 11.573 11.257 1.00 0.00 C flip ATOM 755 CE1 HIS A 49 2.821 12.967 10.324 1.00 0.00 C flip ATOM 756 NE2 HIS A 49 1.769 12.853 11.105 1.00 0.00 N flip ATOM 0 H HIS A 49 4.708 8.687 9.876 1.00 0.00 H new ATOM 0 HA HIS A 49 3.476 9.219 12.354 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.585 8.995 9.471 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.341 8.994 10.706 1.00 0.00 H new ATOM 0 HD1 HIS A 49 4.033 11.499 9.352 1.00 0.00 H new ATOM 0 HD2 HIS A 49 0.697 11.171 11.853 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.280 13.897 10.022 1.00 0.00 H new ATOM 765 N TYR A 50 2.515 6.347 10.981 1.00 0.00 N ATOM 766 CA TYR A 50 1.735 5.106 11.185 1.00 0.00 C ATOM 767 C TYR A 50 2.634 3.910 11.567 1.00 0.00 C ATOM 768 O TYR A 50 2.118 2.810 11.783 1.00 0.00 O ATOM 769 CB TYR A 50 0.906 4.802 9.899 1.00 0.00 C ATOM 770 CG TYR A 50 -0.057 5.941 9.515 1.00 0.00 C ATOM 771 CD1 TYR A 50 -1.336 6.034 10.076 1.00 0.00 C ATOM 772 CD2 TYR A 50 0.330 6.949 8.624 1.00 0.00 C ATOM 773 CE1 TYR A 50 -2.180 7.083 9.763 1.00 0.00 C ATOM 774 CE2 TYR A 50 -0.518 7.994 8.307 1.00 0.00 C ATOM 775 CZ TYR A 50 -1.766 8.058 8.881 1.00 0.00 C ATOM 776 OH TYR A 50 -2.601 9.116 8.586 1.00 0.00 O ATOM 0 H TYR A 50 2.876 6.449 10.032 1.00 0.00 H new ATOM 0 HA TYR A 50 1.057 5.260 12.024 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.589 4.617 9.070 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.334 3.887 10.051 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.669 5.273 10.766 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.311 6.910 8.175 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.162 7.139 10.209 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.202 8.757 7.611 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.540 9.324 7.630 1.00 0.00 H new ATOM 786 N LYS A 51 3.969 4.148 11.657 1.00 0.00 N ATOM 787 CA LYS A 51 4.982 3.121 12.039 1.00 0.00 C ATOM 788 C LYS A 51 4.990 1.954 11.027 1.00 0.00 C ATOM 789 O LYS A 51 5.269 0.806 11.381 1.00 0.00 O ATOM 790 CB LYS A 51 4.795 2.635 13.527 1.00 0.00 C ATOM 791 CG LYS A 51 5.386 3.582 14.612 1.00 0.00 C ATOM 792 CD LYS A 51 4.774 5.003 14.593 1.00 0.00 C ATOM 793 CE LYS A 51 5.458 5.964 15.582 1.00 0.00 C ATOM 794 NZ LYS A 51 4.915 7.341 15.489 1.00 0.00 N ATOM 0 H LYS A 51 4.378 5.063 11.466 1.00 0.00 H new ATOM 0 HA LYS A 51 5.966 3.588 11.998 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.730 2.508 13.720 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.258 1.654 13.633 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.226 3.139 15.595 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.464 3.658 14.468 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.850 5.412 13.586 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.712 4.939 14.832 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.327 5.591 16.598 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.530 5.984 15.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.404 7.954 16.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.062 7.708 14.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.897 7.328 15.702 1.00 0.00 H new ATOM 808 N ILE A 52 4.739 2.285 9.747 1.00 0.00 N ATOM 809 CA ILE A 52 4.583 1.295 8.663 1.00 0.00 C ATOM 810 C ILE A 52 5.828 1.300 7.755 1.00 0.00 C ATOM 811 O ILE A 52 6.756 2.089 7.979 1.00 0.00 O ATOM 812 CB ILE A 52 3.268 1.559 7.836 1.00 0.00 C ATOM 813 CG1 ILE A 52 3.285 2.973 7.170 1.00 0.00 C ATOM 814 CG2 ILE A 52 2.034 1.383 8.752 1.00 0.00 C ATOM 815 CD1 ILE A 52 2.039 3.323 6.366 1.00 0.00 C ATOM 0 H ILE A 52 4.638 3.250 9.433 1.00 0.00 H new ATOM 0 HA ILE A 52 4.490 0.305 9.110 1.00 0.00 H new ATOM 0 HB ILE A 52 3.212 0.830 7.028 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.418 3.723 7.949 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.153 3.038 6.513 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.126 1.566 8.178 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.015 0.367 9.146 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.090 2.092 9.578 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.147 4.322 5.944 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.912 2.601 5.560 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.166 3.297 7.018 1.00 0.00 H new ATOM 827 N LYS A 53 5.844 0.407 6.752 1.00 0.00 N ATOM 828 CA LYS A 53 6.996 0.230 5.852 1.00 0.00 C ATOM 829 C LYS A 53 6.494 -0.033 4.426 1.00 0.00 C ATOM 830 O LYS A 53 5.982 -1.116 4.144 1.00 0.00 O ATOM 831 CB LYS A 53 7.902 -0.942 6.373 1.00 0.00 C ATOM 832 CG LYS A 53 9.311 -1.103 5.712 1.00 0.00 C ATOM 833 CD LYS A 53 9.301 -1.756 4.295 1.00 0.00 C ATOM 834 CE LYS A 53 8.672 -3.165 4.283 1.00 0.00 C ATOM 835 NZ LYS A 53 9.432 -4.119 5.124 1.00 0.00 N ATOM 0 H LYS A 53 5.061 -0.212 6.542 1.00 0.00 H new ATOM 0 HA LYS A 53 7.601 1.136 5.836 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.045 -0.808 7.445 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.357 -1.876 6.239 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.777 -0.120 5.640 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.938 -1.705 6.369 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.750 -1.113 3.609 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.324 -1.818 3.923 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.644 -3.106 4.640 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.633 -3.536 3.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.996 -5.061 5.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.415 -4.170 4.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.419 -3.797 6.113 1.00 0.00 H new ATOM 849 N PHE A 54 6.642 0.962 3.542 1.00 0.00 N ATOM 850 CA PHE A 54 6.419 0.798 2.099 1.00 0.00 C ATOM 851 C PHE A 54 7.687 0.224 1.458 1.00 0.00 C ATOM 852 O PHE A 54 8.798 0.698 1.731 1.00 0.00 O ATOM 853 CB PHE A 54 6.069 2.145 1.409 1.00 0.00 C ATOM 854 CG PHE A 54 4.733 2.746 1.835 1.00 0.00 C ATOM 855 CD1 PHE A 54 3.529 2.180 1.420 1.00 0.00 C ATOM 856 CD2 PHE A 54 4.677 3.872 2.641 1.00 0.00 C ATOM 857 CE1 PHE A 54 2.319 2.726 1.807 1.00 0.00 C ATOM 858 CE2 PHE A 54 3.475 4.412 3.022 1.00 0.00 C ATOM 859 CZ PHE A 54 2.295 3.842 2.607 1.00 0.00 C ATOM 0 H PHE A 54 6.921 1.906 3.808 1.00 0.00 H new ATOM 0 HA PHE A 54 5.575 0.122 1.965 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.860 2.864 1.621 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.057 1.993 0.330 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.541 1.304 0.788 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.595 4.332 2.975 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.394 2.275 1.480 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.456 5.290 3.651 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.351 4.271 2.909 1.00 0.00 H new ATOM 869 N ALA A 55 7.504 -0.803 0.625 1.00 0.00 N ATOM 870 CA ALA A 55 8.559 -1.346 -0.233 1.00 0.00 C ATOM 871 C ALA A 55 8.510 -0.578 -1.563 1.00 0.00 C ATOM 872 O ALA A 55 7.420 -0.203 -2.016 1.00 0.00 O ATOM 873 CB ALA A 55 8.357 -2.861 -0.450 1.00 0.00 C ATOM 0 H ALA A 55 6.611 -1.285 0.526 1.00 0.00 H new ATOM 0 HA ALA A 55 9.537 -1.223 0.232 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.151 -3.246 -1.090 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.386 -3.373 0.512 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.392 -3.035 -0.925 1.00 0.00 H new ATOM 879 N LEU A 56 9.685 -0.312 -2.163 1.00 0.00 N ATOM 880 CA LEU A 56 9.801 0.419 -3.449 1.00 0.00 C ATOM 881 C LEU A 56 8.994 -0.297 -4.559 1.00 0.00 C ATOM 882 O LEU A 56 8.381 0.362 -5.407 1.00 0.00 O ATOM 883 CB LEU A 56 11.317 0.593 -3.820 1.00 0.00 C ATOM 884 CG LEU A 56 11.693 1.569 -5.003 1.00 0.00 C ATOM 885 CD1 LEU A 56 11.556 0.913 -6.395 1.00 0.00 C ATOM 886 CD2 LEU A 56 10.883 2.884 -4.926 1.00 0.00 C ATOM 0 H LEU A 56 10.584 -0.596 -1.774 1.00 0.00 H new ATOM 0 HA LEU A 56 9.370 1.415 -3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.840 0.936 -2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.715 -0.392 -4.063 1.00 0.00 H new ATOM 0 HG LEU A 56 12.749 1.808 -4.876 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.828 1.634 -7.166 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.218 0.049 -6.457 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.525 0.592 -6.546 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.165 3.534 -5.754 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.818 2.660 -4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.094 3.387 -3.982 1.00 0.00 H new ATOM 898 N GLY A 57 8.983 -1.642 -4.510 1.00 0.00 N ATOM 899 CA GLY A 57 8.189 -2.461 -5.435 1.00 0.00 C ATOM 900 C GLY A 57 6.682 -2.179 -5.323 1.00 0.00 C ATOM 901 O GLY A 57 5.977 -2.119 -6.342 1.00 0.00 O ATOM 0 H GLY A 57 9.520 -2.184 -3.833 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.516 -2.270 -6.457 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.374 -3.516 -5.232 1.00 0.00 H new ATOM 905 N GLU A 58 6.200 -1.990 -4.065 1.00 0.00 N ATOM 906 CA GLU A 58 4.791 -1.618 -3.778 1.00 0.00 C ATOM 907 C GLU A 58 4.481 -0.231 -4.351 1.00 0.00 C ATOM 908 O GLU A 58 3.410 -0.024 -4.900 1.00 0.00 O ATOM 909 CB GLU A 58 4.472 -1.637 -2.251 1.00 0.00 C ATOM 910 CG GLU A 58 4.638 -3.013 -1.583 1.00 0.00 C ATOM 911 CD GLU A 58 4.226 -3.006 -0.097 1.00 0.00 C ATOM 912 OE1 GLU A 58 4.942 -2.396 0.725 1.00 0.00 O ATOM 913 OE2 GLU A 58 3.192 -3.619 0.261 1.00 0.00 O ATOM 0 H GLU A 58 6.774 -2.091 -3.228 1.00 0.00 H new ATOM 0 HA GLU A 58 4.160 -2.366 -4.257 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.122 -0.922 -1.748 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.448 -1.296 -2.102 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.037 -3.748 -2.119 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.678 -3.330 -1.666 1.00 0.00 H new ATOM 920 N LEU A 59 5.456 0.695 -4.252 1.00 0.00 N ATOM 921 CA LEU A 59 5.308 2.084 -4.748 1.00 0.00 C ATOM 922 C LEU A 59 5.178 2.122 -6.287 1.00 0.00 C ATOM 923 O LEU A 59 4.470 2.977 -6.833 1.00 0.00 O ATOM 924 CB LEU A 59 6.498 2.959 -4.272 1.00 0.00 C ATOM 925 CG LEU A 59 6.687 3.048 -2.720 1.00 0.00 C ATOM 926 CD1 LEU A 59 7.906 3.922 -2.343 1.00 0.00 C ATOM 927 CD2 LEU A 59 5.396 3.550 -2.030 1.00 0.00 C ATOM 0 H LEU A 59 6.365 0.506 -3.829 1.00 0.00 H new ATOM 0 HA LEU A 59 4.388 2.494 -4.331 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.415 2.565 -4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.365 3.968 -4.663 1.00 0.00 H new ATOM 0 HG LEU A 59 6.889 2.041 -2.355 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.005 3.960 -1.258 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.810 3.492 -2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.764 4.931 -2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.556 3.602 -0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.143 4.541 -2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.578 2.861 -2.243 1.00 0.00 H new ATOM 939 N GLN A 60 5.863 1.182 -6.970 1.00 0.00 N ATOM 940 CA GLN A 60 5.714 0.972 -8.432 1.00 0.00 C ATOM 941 C GLN A 60 4.326 0.386 -8.784 1.00 0.00 C ATOM 942 O GLN A 60 3.846 0.534 -9.908 1.00 0.00 O ATOM 943 CB GLN A 60 6.840 0.045 -8.968 1.00 0.00 C ATOM 944 CG GLN A 60 8.288 0.487 -8.638 1.00 0.00 C ATOM 945 CD GLN A 60 8.745 1.811 -9.274 1.00 0.00 C ATOM 946 OE1 GLN A 60 7.967 2.737 -9.496 1.00 0.00 O ATOM 947 NE2 GLN A 60 10.038 1.921 -9.550 1.00 0.00 N ATOM 0 H GLN A 60 6.532 0.549 -6.531 1.00 0.00 H new ATOM 0 HA GLN A 60 5.798 1.946 -8.914 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.684 -0.956 -8.565 1.00 0.00 H new ATOM 0 HB3 GLN A 60 6.740 -0.029 -10.051 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.384 0.574 -7.556 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.970 -0.302 -8.956 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.668 1.142 -9.359 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.402 2.784 -9.953 1.00 0.00 H new ATOM 956 N LYS A 61 3.699 -0.291 -7.812 1.00 0.00 N ATOM 957 CA LYS A 61 2.327 -0.828 -7.945 1.00 0.00 C ATOM 958 C LYS A 61 1.264 0.228 -7.578 1.00 0.00 C ATOM 959 O LYS A 61 0.065 -0.058 -7.657 1.00 0.00 O ATOM 960 CB LYS A 61 2.164 -2.101 -7.060 1.00 0.00 C ATOM 961 CG LYS A 61 2.812 -3.372 -7.649 1.00 0.00 C ATOM 962 CD LYS A 61 2.131 -3.802 -8.973 1.00 0.00 C ATOM 963 CE LYS A 61 2.722 -5.078 -9.581 1.00 0.00 C ATOM 964 NZ LYS A 61 2.061 -5.414 -10.870 1.00 0.00 N ATOM 0 H LYS A 61 4.126 -0.485 -6.906 1.00 0.00 H new ATOM 0 HA LYS A 61 2.171 -1.097 -8.990 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.600 -1.906 -6.080 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.101 -2.288 -6.905 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.872 -3.191 -7.827 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.745 -4.184 -6.925 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.067 -3.955 -8.792 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.218 -2.991 -9.696 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.792 -4.946 -9.741 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.604 -5.906 -8.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.481 -6.282 -11.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.044 -5.562 -10.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.195 -4.633 -11.543 1.00 0.00 H new ATOM 978 N LEU A 62 1.698 1.435 -7.164 1.00 0.00 N ATOM 979 CA LEU A 62 0.786 2.550 -6.836 1.00 0.00 C ATOM 980 C LEU A 62 0.806 3.562 -7.983 1.00 0.00 C ATOM 981 O LEU A 62 1.856 4.133 -8.272 1.00 0.00 O ATOM 982 CB LEU A 62 1.206 3.232 -5.493 1.00 0.00 C ATOM 983 CG LEU A 62 1.433 2.272 -4.282 1.00 0.00 C ATOM 984 CD1 LEU A 62 1.787 3.043 -2.998 1.00 0.00 C ATOM 985 CD2 LEU A 62 0.229 1.326 -4.068 1.00 0.00 C ATOM 0 H LEU A 62 2.685 1.664 -7.048 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.225 2.164 -6.709 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.125 3.793 -5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.438 3.955 -5.219 1.00 0.00 H new ATOM 0 HG LEU A 62 2.293 1.648 -4.527 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.937 2.338 -2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.702 3.614 -3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.974 3.724 -2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.425 0.674 -3.217 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.667 1.916 -3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.079 0.720 -4.962 1.00 0.00 H new ATOM 997 N LYS A 63 -0.337 3.745 -8.668 1.00 0.00 N ATOM 998 CA LYS A 63 -0.474 4.733 -9.756 1.00 0.00 C ATOM 999 C LYS A 63 -1.202 5.975 -9.235 1.00 0.00 C ATOM 1000 O LYS A 63 -0.948 7.096 -9.696 1.00 0.00 O ATOM 1001 CB LYS A 63 -1.200 4.074 -10.977 1.00 0.00 C ATOM 1002 CG LYS A 63 -1.119 4.864 -12.319 1.00 0.00 C ATOM 1003 CD LYS A 63 -2.157 6.013 -12.455 1.00 0.00 C ATOM 1004 CE LYS A 63 -1.924 6.889 -13.696 1.00 0.00 C ATOM 1005 NZ LYS A 63 -2.078 6.139 -14.961 1.00 0.00 N ATOM 0 H LYS A 63 -1.189 3.215 -8.485 1.00 0.00 H new ATOM 0 HA LYS A 63 0.508 5.057 -10.101 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.778 3.082 -11.135 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.250 3.936 -10.721 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.118 5.282 -12.420 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.258 4.167 -13.145 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.159 5.586 -12.501 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.118 6.638 -11.563 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.627 7.722 -13.685 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.922 7.316 -13.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.910 6.777 -15.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.390 5.359 -14.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.042 5.753 -15.021 1.00 0.00 H new ATOM 1019 N ASN A 64 -2.082 5.774 -8.250 1.00 0.00 N ATOM 1020 CA ASN A 64 -2.917 6.842 -7.681 1.00 0.00 C ATOM 1021 C ASN A 64 -2.845 6.831 -6.157 1.00 0.00 C ATOM 1022 O ASN A 64 -2.313 5.903 -5.541 1.00 0.00 O ATOM 1023 CB ASN A 64 -4.409 6.705 -8.127 1.00 0.00 C ATOM 1024 CG ASN A 64 -4.592 6.682 -9.644 1.00 0.00 C ATOM 1025 OD1 ASN A 64 -4.675 7.730 -10.284 1.00 0.00 O ATOM 1026 ND2 ASN A 64 -4.644 5.495 -10.229 1.00 0.00 N ATOM 0 H ASN A 64 -2.238 4.862 -7.821 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.526 7.788 -8.057 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.823 5.789 -7.705 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.982 7.535 -7.712 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.756 5.430 -11.241 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.572 4.646 -9.668 1.00 0.00 H new ATOM 1033 N VAL A 65 -3.387 7.912 -5.584 1.00 0.00 N ATOM 1034 CA VAL A 65 -3.640 8.070 -4.148 1.00 0.00 C ATOM 1035 C VAL A 65 -4.612 6.983 -3.655 1.00 0.00 C ATOM 1036 O VAL A 65 -4.536 6.587 -2.510 1.00 0.00 O ATOM 1037 CB VAL A 65 -4.234 9.493 -3.833 1.00 0.00 C ATOM 1038 CG1 VAL A 65 -4.487 9.688 -2.317 1.00 0.00 C ATOM 1039 CG2 VAL A 65 -3.311 10.602 -4.386 1.00 0.00 C ATOM 0 H VAL A 65 -3.671 8.728 -6.126 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.689 7.967 -3.626 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.200 9.565 -4.333 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.897 10.683 -2.142 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.195 8.937 -1.967 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.547 9.582 -1.775 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.739 11.578 -4.158 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.327 10.520 -3.924 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.215 10.491 -5.466 1.00 0.00 H new ATOM 1049 N GLY A 66 -5.509 6.516 -4.545 1.00 0.00 N ATOM 1050 CA GLY A 66 -6.438 5.421 -4.231 1.00 0.00 C ATOM 1051 C GLY A 66 -5.726 4.088 -4.040 1.00 0.00 C ATOM 1052 O GLY A 66 -6.102 3.289 -3.176 1.00 0.00 O ATOM 0 H GLY A 66 -5.607 6.885 -5.491 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.991 5.667 -3.324 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.169 5.327 -5.034 1.00 0.00 H new ATOM 1056 N ASP A 67 -4.686 3.856 -4.869 1.00 0.00 N ATOM 1057 CA ASP A 67 -3.781 2.696 -4.725 1.00 0.00 C ATOM 1058 C ASP A 67 -2.988 2.819 -3.422 1.00 0.00 C ATOM 1059 O ASP A 67 -2.889 1.861 -2.652 1.00 0.00 O ATOM 1060 CB ASP A 67 -2.796 2.597 -5.921 1.00 0.00 C ATOM 1061 CG ASP A 67 -3.490 2.382 -7.268 1.00 0.00 C ATOM 1062 OD1 ASP A 67 -3.854 1.234 -7.578 1.00 0.00 O ATOM 1063 OD2 ASP A 67 -3.674 3.357 -8.024 1.00 0.00 O ATOM 0 H ASP A 67 -4.451 4.464 -5.653 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.390 1.792 -4.707 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.202 3.510 -5.969 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.103 1.775 -5.743 1.00 0.00 H new ATOM 1068 N LEU A 68 -2.421 4.016 -3.198 1.00 0.00 N ATOM 1069 CA LEU A 68 -1.644 4.344 -1.987 1.00 0.00 C ATOM 1070 C LEU A 68 -2.505 4.207 -0.718 1.00 0.00 C ATOM 1071 O LEU A 68 -2.026 3.758 0.314 1.00 0.00 O ATOM 1072 CB LEU A 68 -1.078 5.789 -2.121 1.00 0.00 C ATOM 1073 CG LEU A 68 -0.316 6.384 -0.886 1.00 0.00 C ATOM 1074 CD1 LEU A 68 0.932 5.550 -0.518 1.00 0.00 C ATOM 1075 CD2 LEU A 68 0.064 7.861 -1.140 1.00 0.00 C ATOM 0 H LEU A 68 -2.489 4.791 -3.857 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.818 3.639 -1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.401 5.808 -2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.908 6.455 -2.357 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.994 6.341 -0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.429 5.999 0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.630 4.532 -0.273 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.619 5.531 -1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.592 8.255 -0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.709 7.925 -2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.840 8.445 -1.311 1.00 0.00 H new ATOM 1087 N ALA A 69 -3.785 4.557 -0.846 1.00 0.00 N ATOM 1088 CA ALA A 69 -4.774 4.530 0.243 1.00 0.00 C ATOM 1089 C ALA A 69 -5.100 3.093 0.636 1.00 0.00 C ATOM 1090 O ALA A 69 -5.186 2.755 1.823 1.00 0.00 O ATOM 1091 CB ALA A 69 -6.038 5.269 -0.217 1.00 0.00 C ATOM 0 H ALA A 69 -4.178 4.876 -1.732 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.364 5.027 1.122 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.779 5.255 0.583 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.787 6.301 -0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.447 4.776 -1.099 1.00 0.00 H new ATOM 1097 N ASP A 70 -5.286 2.273 -0.408 1.00 0.00 N ATOM 1098 CA ASP A 70 -5.465 0.826 -0.294 1.00 0.00 C ATOM 1099 C ASP A 70 -4.250 0.194 0.399 1.00 0.00 C ATOM 1100 O ASP A 70 -4.405 -0.662 1.265 1.00 0.00 O ATOM 1101 CB ASP A 70 -5.662 0.204 -1.705 1.00 0.00 C ATOM 1102 CG ASP A 70 -5.818 -1.328 -1.686 1.00 0.00 C ATOM 1103 OD1 ASP A 70 -6.936 -1.814 -1.434 1.00 0.00 O ATOM 1104 OD2 ASP A 70 -4.823 -2.057 -1.919 1.00 0.00 O ATOM 0 H ASP A 70 -5.316 2.607 -1.371 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.352 0.626 0.308 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.545 0.645 -2.168 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.809 0.466 -2.331 1.00 0.00 H new ATOM 1109 N LEU A 71 -3.048 0.665 0.028 1.00 0.00 N ATOM 1110 CA LEU A 71 -1.769 0.109 0.517 1.00 0.00 C ATOM 1111 C LEU A 71 -1.567 0.456 2.019 1.00 0.00 C ATOM 1112 O LEU A 71 -1.155 -0.409 2.798 1.00 0.00 O ATOM 1113 CB LEU A 71 -0.585 0.620 -0.384 1.00 0.00 C ATOM 1114 CG LEU A 71 0.638 -0.350 -0.605 1.00 0.00 C ATOM 1115 CD1 LEU A 71 1.401 -0.632 0.687 1.00 0.00 C ATOM 1116 CD2 LEU A 71 0.211 -1.666 -1.287 1.00 0.00 C ATOM 0 H LEU A 71 -2.932 1.444 -0.621 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.789 -0.978 0.444 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.993 0.874 -1.362 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.206 1.544 0.052 1.00 0.00 H new ATOM 0 HG LEU A 71 1.320 0.171 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.233 -1.305 0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.784 0.303 1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.731 -1.096 1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.083 -2.306 -1.421 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.522 -2.178 -0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.230 -1.446 -2.259 1.00 0.00 H new ATOM 1128 N VAL A 72 -1.874 1.715 2.412 1.00 0.00 N ATOM 1129 CA VAL A 72 -1.870 2.150 3.835 1.00 0.00 C ATOM 1130 C VAL A 72 -2.851 1.292 4.659 1.00 0.00 C ATOM 1131 O VAL A 72 -2.531 0.854 5.757 1.00 0.00 O ATOM 1132 CB VAL A 72 -2.249 3.681 3.979 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -2.364 4.123 5.466 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -1.232 4.581 3.242 1.00 0.00 C ATOM 0 H VAL A 72 -2.130 2.455 1.759 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.858 2.014 4.216 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.229 3.800 3.517 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.625 5.180 5.512 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.137 3.536 5.961 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.410 3.963 5.968 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.519 5.626 3.359 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.238 4.428 3.664 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.220 4.325 2.183 1.00 0.00 H new ATOM 1144 N ASP A 73 -4.022 1.022 4.061 1.00 0.00 N ATOM 1145 CA ASP A 73 -5.086 0.181 4.658 1.00 0.00 C ATOM 1146 C ASP A 73 -4.594 -1.271 4.888 1.00 0.00 C ATOM 1147 O ASP A 73 -4.953 -1.912 5.884 1.00 0.00 O ATOM 1148 CB ASP A 73 -6.323 0.210 3.725 1.00 0.00 C ATOM 1149 CG ASP A 73 -7.505 -0.654 4.200 1.00 0.00 C ATOM 1150 OD1 ASP A 73 -8.299 -0.187 5.046 1.00 0.00 O ATOM 1151 OD2 ASP A 73 -7.649 -1.805 3.714 1.00 0.00 O ATOM 0 H ASP A 73 -4.265 1.383 3.138 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.357 0.581 5.635 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.661 1.241 3.624 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.021 -0.125 2.733 1.00 0.00 H new ATOM 1156 N LYS A 74 -3.755 -1.757 3.949 1.00 0.00 N ATOM 1157 CA LYS A 74 -3.120 -3.093 4.042 1.00 0.00 C ATOM 1158 C LYS A 74 -2.126 -3.131 5.212 1.00 0.00 C ATOM 1159 O LYS A 74 -2.063 -4.115 5.942 1.00 0.00 O ATOM 1160 CB LYS A 74 -2.412 -3.496 2.717 1.00 0.00 C ATOM 1161 CG LYS A 74 -3.357 -3.559 1.499 1.00 0.00 C ATOM 1162 CD LYS A 74 -4.520 -4.578 1.667 1.00 0.00 C ATOM 1163 CE LYS A 74 -5.729 -4.252 0.772 1.00 0.00 C ATOM 1164 NZ LYS A 74 -6.361 -2.961 1.170 1.00 0.00 N ATOM 0 H LYS A 74 -3.498 -1.239 3.109 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.913 -3.819 4.222 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.615 -2.782 2.510 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.940 -4.470 2.850 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.776 -2.568 1.322 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.778 -3.823 0.614 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.158 -5.579 1.431 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.838 -4.592 2.709 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.410 -4.198 -0.269 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.462 -5.055 0.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.819 -2.529 0.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.073 -3.136 1.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.632 -2.317 1.538 1.00 0.00 H new ATOM 1178 N LYS A 75 -1.385 -2.023 5.399 1.00 0.00 N ATOM 1179 CA LYS A 75 -0.397 -1.887 6.480 1.00 0.00 C ATOM 1180 C LYS A 75 -1.093 -1.828 7.852 1.00 0.00 C ATOM 1181 O LYS A 75 -0.662 -2.483 8.807 1.00 0.00 O ATOM 1182 CB LYS A 75 0.463 -0.615 6.260 1.00 0.00 C ATOM 1183 CG LYS A 75 1.294 -0.607 4.962 1.00 0.00 C ATOM 1184 CD LYS A 75 2.310 -1.770 4.890 1.00 0.00 C ATOM 1185 CE LYS A 75 3.040 -1.814 3.544 1.00 0.00 C ATOM 1186 NZ LYS A 75 3.971 -2.957 3.443 1.00 0.00 N ATOM 0 H LYS A 75 -1.456 -1.198 4.804 1.00 0.00 H new ATOM 0 HA LYS A 75 0.253 -2.762 6.464 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.195 0.254 6.258 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.139 -0.501 7.107 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.622 -0.665 4.106 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.828 0.340 4.884 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.039 -1.665 5.694 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.791 -2.715 5.052 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.308 -1.874 2.739 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.593 -0.885 3.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.232 -3.105 2.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.827 -2.758 3.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.510 -3.814 3.812 1.00 0.00 H new ATOM 1200 N LEU A 76 -2.191 -1.063 7.919 1.00 0.00 N ATOM 1201 CA LEU A 76 -2.999 -0.913 9.141 1.00 0.00 C ATOM 1202 C LEU A 76 -3.698 -2.241 9.492 1.00 0.00 C ATOM 1203 O LEU A 76 -3.945 -2.520 10.663 1.00 0.00 O ATOM 1204 CB LEU A 76 -4.024 0.239 8.982 1.00 0.00 C ATOM 1205 CG LEU A 76 -3.423 1.664 8.727 1.00 0.00 C ATOM 1206 CD1 LEU A 76 -4.538 2.713 8.532 1.00 0.00 C ATOM 1207 CD2 LEU A 76 -2.436 2.085 9.849 1.00 0.00 C ATOM 0 H LEU A 76 -2.546 -0.529 7.126 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.336 -0.655 9.967 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.690 -0.006 8.155 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.636 0.281 9.883 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.850 1.613 7.801 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.091 3.691 8.357 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.152 2.436 7.675 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.160 2.753 9.426 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.042 3.078 9.634 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.958 2.101 10.806 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.613 1.371 9.897 1.00 0.00 H new ATOM 1219 N ALA A 77 -3.987 -3.062 8.465 1.00 0.00 N ATOM 1220 CA ALA A 77 -4.486 -4.441 8.648 1.00 0.00 C ATOM 1221 C ALA A 77 -3.419 -5.324 9.322 1.00 0.00 C ATOM 1222 O ALA A 77 -3.730 -6.136 10.207 1.00 0.00 O ATOM 1223 CB ALA A 77 -4.907 -5.032 7.291 1.00 0.00 C ATOM 0 H ALA A 77 -3.882 -2.791 7.487 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.357 -4.413 9.302 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.273 -6.048 7.435 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.697 -4.419 6.857 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -4.049 -5.047 6.619 1.00 0.00 H new ATOM 1229 N ARG A 78 -2.150 -5.139 8.903 1.00 0.00 N ATOM 1230 CA ARG A 78 -1.006 -5.882 9.471 1.00 0.00 C ATOM 1231 C ARG A 78 -0.630 -5.342 10.868 1.00 0.00 C ATOM 1232 O ARG A 78 0.104 -5.997 11.617 1.00 0.00 O ATOM 1233 CB ARG A 78 0.234 -5.852 8.528 1.00 0.00 C ATOM 1234 CG ARG A 78 -0.045 -6.228 7.052 1.00 0.00 C ATOM 1235 CD ARG A 78 -0.875 -7.520 6.874 1.00 0.00 C ATOM 1236 NE ARG A 78 -0.186 -8.732 7.357 1.00 0.00 N ATOM 1237 CZ ARG A 78 -0.726 -9.966 7.401 1.00 0.00 C ATOM 1238 NH1 ARG A 78 -1.963 -10.193 6.966 1.00 0.00 N ATOM 1239 NH2 ARG A 78 -0.010 -10.975 7.858 1.00 0.00 N ATOM 0 H ARG A 78 -1.891 -4.478 8.170 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.322 -6.920 9.572 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.666 -4.851 8.555 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.986 -6.535 8.923 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.570 -5.403 6.572 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.906 -6.346 6.533 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.820 -7.412 7.407 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.117 -7.645 5.818 1.00 0.00 H new ATOM 0 HE ARG A 78 0.775 -8.628 7.683 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.520 -9.426 6.591 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.354 -11.134 7.008 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.947 -10.819 8.176 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.413 -11.911 7.894 1.00 0.00 H new ATOM 1253 N LYS A 79 -1.115 -4.130 11.200 1.00 0.00 N ATOM 1254 CA LYS A 79 -0.994 -3.553 12.554 1.00 0.00 C ATOM 1255 C LYS A 79 -1.960 -4.250 13.532 1.00 0.00 C ATOM 1256 O LYS A 79 -1.676 -4.341 14.718 1.00 0.00 O ATOM 1257 CB LYS A 79 -1.239 -2.016 12.513 1.00 0.00 C ATOM 1258 CG LYS A 79 -0.015 -1.181 12.058 1.00 0.00 C ATOM 1259 CD LYS A 79 1.102 -1.175 13.132 1.00 0.00 C ATOM 1260 CE LYS A 79 2.371 -0.423 12.699 1.00 0.00 C ATOM 1261 NZ LYS A 79 3.065 -1.098 11.574 1.00 0.00 N ATOM 0 H LYS A 79 -1.601 -3.524 10.539 1.00 0.00 H new ATOM 0 HA LYS A 79 0.020 -3.722 12.915 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.072 -1.812 11.841 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.541 -1.683 13.506 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.378 -1.588 11.126 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.328 -0.157 11.852 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.715 -0.721 14.044 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.365 -2.204 13.375 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.107 0.593 12.404 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.051 -0.342 13.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.941 -0.585 11.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.296 -2.075 11.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.445 -1.107 10.739 1.00 0.00 H new