USER MOD reduce.3.24.130724 H: found=0, std=0, add=920, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 920 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 65 HIS : no HD1:sc= -1.15 K(o=-1.8,f=-1.2) USER MOD Set 1.2: A 77 GLN : amide:sc= -0.657 K(o=-1.8,f=-3) USER MOD Set 2.1: A 16 THR OG1 : rot 95:sc= 0.59 USER MOD Set 2.2: A 31 HIS : no HD1:sc= 0.603 K(o=1.2,f=-3.4) USER MOD Set 2.3: A 128 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 12 GLN : amide:sc= -3.18 K(o=-3.3,f=-13!) USER MOD Set 3.2: A 35 ASN : amide:sc= -0.0715 K(o=-3.3,f=-4.2) USER MOD Single : A 8 SER OG : rot 140:sc= -0.702 USER MOD Single : A 14 GLN : amide:sc= -7.16! C(o=-7.2!,f=-7.9!) USER MOD Single : A 19 HIS : no HD1:sc= -0.479 K(o=-0.25,f=-4.8!) USER MOD Single : A 20 SER OG : rot 170:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -3.12! C(o=-3.1!,f=-4.5!) USER MOD Single : A 24 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.52) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot 40:sc= -4.42! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -95:sc= 0 USER MOD Single : A 47 TYR OH : rot 30:sc= -0.548 USER MOD Single : A 50 MET CE :methyl -139:sc= -5.26! (180deg=-5.78!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 157:sc= -0.0795 (180deg=-0.431) USER MOD Single : A 64 THR OG1 : rot 158:sc= 1.43 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.463 K(o=-0.46,f=-6.1!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 47:sc= 0.566 USER MOD Single : A 84 SER OG : rot 110:sc= 0.0589 USER MOD Single : A 89 GLN : amide:sc= -5.84! C(o=-5.8!,f=-6.7!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 162:sc= -0.006 (180deg=-0.129) USER MOD Single : A 99 ASN : amide:sc= -1.63! C(o=-1.6!,f=-5!) USER MOD Single : A 113 LYS NZ :NH3+ -113:sc= -0.134 (180deg=-0.388) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 163:sc= 0.324 (180deg=0.197) USER MOD Single : A 129 GLN : amide:sc= -1.58 X(o=-1.6,f=-1.5) USER MOD Single : A 131 TYR OH : rot 180:sc= 0.671 USER MOD Single : A 134 THR OG1 : rot -32:sc= 0.0833 USER MOD ----------------------------------------------------------------- ATOM 66 N SER A 8 11.255 12.291 0.466 1.00 0.00 N ATOM 67 CA SER A 8 10.718 12.150 -0.883 1.00 0.00 C ATOM 68 C SER A 8 10.177 13.481 -1.394 1.00 0.00 C ATOM 69 O SER A 8 9.314 14.108 -0.779 1.00 0.00 O ATOM 70 CB SER A 8 9.610 11.094 -0.905 1.00 0.00 C ATOM 71 OG SER A 8 10.140 9.795 -0.709 1.00 0.00 O ATOM 0 HA SER A 8 11.528 11.831 -1.539 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.879 11.313 -0.127 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.083 11.135 -1.858 1.00 0.00 H new ATOM 0 HG SER A 8 9.543 9.283 -0.124 1.00 0.00 H new ATOM 77 N PRO A 9 10.696 13.926 -2.548 1.00 0.00 N ATOM 78 CA PRO A 9 10.281 15.187 -3.170 1.00 0.00 C ATOM 79 C PRO A 9 8.861 15.121 -3.721 1.00 0.00 C ATOM 80 O PRO A 9 8.220 16.151 -3.937 1.00 0.00 O ATOM 81 CB PRO A 9 11.288 15.370 -4.308 1.00 0.00 C ATOM 82 CG PRO A 9 11.747 13.990 -4.633 1.00 0.00 C ATOM 83 CD PRO A 9 11.729 13.231 -3.336 1.00 0.00 C ATOM 0 HA PRO A 9 10.271 16.010 -2.455 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.826 15.848 -5.172 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.121 16.003 -4.002 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.090 13.523 -5.367 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.748 14.003 -5.063 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.479 12.181 -3.488 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.699 13.259 -2.840 1.00 0.00 H new ATOM 91 N LEU A 10 8.374 13.906 -3.946 1.00 0.00 N ATOM 92 CA LEU A 10 7.028 13.706 -4.472 1.00 0.00 C ATOM 93 C LEU A 10 6.057 13.336 -3.356 1.00 0.00 C ATOM 94 O LEU A 10 4.887 13.716 -3.385 1.00 0.00 O ATOM 95 CB LEU A 10 7.034 12.613 -5.542 1.00 0.00 C ATOM 96 CG LEU A 10 8.047 12.787 -6.673 1.00 0.00 C ATOM 97 CD1 LEU A 10 8.173 11.503 -7.479 1.00 0.00 C ATOM 98 CD2 LEU A 10 7.647 13.946 -7.574 1.00 0.00 C ATOM 0 H LEU A 10 8.891 13.044 -3.772 1.00 0.00 H new ATOM 0 HA LEU A 10 6.697 14.643 -4.921 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.224 11.657 -5.055 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.037 12.555 -5.980 1.00 0.00 H new ATOM 0 HG LEU A 10 9.018 13.013 -6.233 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.899 11.646 -8.280 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.506 10.695 -6.827 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.205 11.246 -7.908 1.00 0.00 H new ATOM 0 HD21 LEU A 10 8.380 14.055 -8.374 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.666 13.749 -8.006 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.609 14.865 -6.989 1.00 0.00 H new ATOM 110 N GLY A 11 6.551 12.593 -2.370 1.00 0.00 N ATOM 111 CA GLY A 11 5.714 12.186 -1.256 1.00 0.00 C ATOM 112 C GLY A 11 5.879 10.718 -0.913 1.00 0.00 C ATOM 113 O GLY A 11 6.819 10.070 -1.372 1.00 0.00 O ATOM 0 H GLY A 11 7.516 12.266 -2.323 1.00 0.00 H new ATOM 0 HA2 GLY A 11 5.959 12.790 -0.382 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.670 12.384 -1.498 1.00 0.00 H new ATOM 117 N GLN A 12 4.964 10.195 -0.104 1.00 0.00 N ATOM 118 CA GLN A 12 5.015 8.796 0.302 1.00 0.00 C ATOM 119 C GLN A 12 3.617 8.186 0.331 1.00 0.00 C ATOM 120 O GLN A 12 2.635 8.847 -0.008 1.00 0.00 O ATOM 121 CB GLN A 12 5.670 8.665 1.678 1.00 0.00 C ATOM 122 CG GLN A 12 7.111 9.146 1.715 1.00 0.00 C ATOM 123 CD GLN A 12 7.226 10.620 2.052 1.00 0.00 C ATOM 124 OE1 GLN A 12 6.369 11.422 1.680 1.00 0.00 O ATOM 125 NE2 GLN A 12 8.289 10.984 2.759 1.00 0.00 N ATOM 0 H GLN A 12 4.179 10.719 0.283 1.00 0.00 H new ATOM 0 HA GLN A 12 5.613 8.254 -0.430 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.088 9.233 2.404 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.636 7.621 1.989 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.665 8.564 2.452 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.577 8.961 0.747 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.974 10.285 3.046 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.420 11.963 3.015 1.00 0.00 H new ATOM 134 N ILE A 13 3.536 6.923 0.736 1.00 0.00 N ATOM 135 CA ILE A 13 2.258 6.226 0.809 1.00 0.00 C ATOM 136 C ILE A 13 2.395 4.905 1.559 1.00 0.00 C ATOM 137 O ILE A 13 3.255 4.085 1.238 1.00 0.00 O ATOM 138 CB ILE A 13 1.686 5.950 -0.594 1.00 0.00 C ATOM 139 CG1 ILE A 13 0.413 5.108 -0.493 1.00 0.00 C ATOM 140 CG2 ILE A 13 2.723 5.251 -1.461 1.00 0.00 C ATOM 141 CD1 ILE A 13 -0.533 5.301 -1.657 1.00 0.00 C ATOM 0 H ILE A 13 4.340 6.362 1.018 1.00 0.00 H new ATOM 0 HA ILE A 13 1.573 6.879 1.349 1.00 0.00 H new ATOM 0 HB ILE A 13 1.433 6.902 -1.061 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.688 4.055 -0.429 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.106 5.359 0.432 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.304 5.063 -2.449 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.605 5.885 -1.556 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.004 4.304 -1.000 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.413 4.673 -1.518 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.837 6.346 -1.709 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.031 5.023 -2.584 1.00 0.00 H new ATOM 153 N GLN A 14 1.540 4.706 2.557 1.00 0.00 N ATOM 154 CA GLN A 14 1.565 3.484 3.351 1.00 0.00 C ATOM 155 C GLN A 14 0.463 2.526 2.911 1.00 0.00 C ATOM 156 O GLN A 14 -0.712 2.893 2.868 1.00 0.00 O ATOM 157 CB GLN A 14 1.409 3.812 4.837 1.00 0.00 C ATOM 158 CG GLN A 14 2.105 2.822 5.756 1.00 0.00 C ATOM 159 CD GLN A 14 2.348 3.384 7.143 1.00 0.00 C ATOM 160 OE1 GLN A 14 1.616 4.258 7.608 1.00 0.00 O ATOM 161 NE2 GLN A 14 3.380 2.884 7.812 1.00 0.00 N ATOM 0 H GLN A 14 0.822 5.375 2.835 1.00 0.00 H new ATOM 0 HA GLN A 14 2.528 2.998 3.193 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.807 4.810 5.024 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.348 3.840 5.085 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.500 1.919 5.835 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.058 2.530 5.314 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.960 2.160 7.388 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.592 3.223 8.750 1.00 0.00 H new ATOM 170 N LEU A 15 0.849 1.297 2.586 1.00 0.00 N ATOM 171 CA LEU A 15 -0.107 0.285 2.148 1.00 0.00 C ATOM 172 C LEU A 15 0.182 -1.058 2.811 1.00 0.00 C ATOM 173 O LEU A 15 1.316 -1.536 2.803 1.00 0.00 O ATOM 174 CB LEU A 15 -0.062 0.137 0.627 1.00 0.00 C ATOM 175 CG LEU A 15 -0.157 1.434 -0.177 1.00 0.00 C ATOM 176 CD1 LEU A 15 0.229 1.192 -1.628 1.00 0.00 C ATOM 177 CD2 LEU A 15 -1.560 2.017 -0.086 1.00 0.00 C ATOM 0 H LEU A 15 1.817 0.977 2.617 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.105 0.609 2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.867 -0.366 0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.879 -0.517 0.321 1.00 0.00 H new ATOM 0 HG LEU A 15 0.542 2.154 0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.155 2.126 -2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.253 0.821 -1.675 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.444 0.455 -2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.609 2.940 -0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.278 1.301 -0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.799 2.229 0.956 1.00 0.00 H new ATOM 189 N THR A 16 -0.854 -1.665 3.382 1.00 0.00 N ATOM 190 CA THR A 16 -0.713 -2.954 4.047 1.00 0.00 C ATOM 191 C THR A 16 -1.028 -4.102 3.095 1.00 0.00 C ATOM 192 O THR A 16 -2.184 -4.320 2.731 1.00 0.00 O ATOM 193 CB THR A 16 -1.635 -3.055 5.277 1.00 0.00 C ATOM 194 OG1 THR A 16 -1.470 -1.901 6.110 1.00 0.00 O ATOM 195 CG2 THR A 16 -1.333 -4.312 6.078 1.00 0.00 C ATOM 0 H THR A 16 -1.800 -1.284 3.397 1.00 0.00 H new ATOM 0 HA THR A 16 0.325 -3.030 4.372 1.00 0.00 H new ATOM 0 HB THR A 16 -2.666 -3.105 4.927 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.158 -1.238 5.890 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.996 -4.361 6.941 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.488 -5.189 5.450 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.297 -4.287 6.417 1.00 0.00 H new ATOM 203 N ILE A 17 0.007 -4.833 2.695 1.00 0.00 N ATOM 204 CA ILE A 17 -0.160 -5.960 1.786 1.00 0.00 C ATOM 205 C ILE A 17 -0.140 -7.284 2.543 1.00 0.00 C ATOM 206 O ILE A 17 0.846 -7.621 3.198 1.00 0.00 O ATOM 207 CB ILE A 17 0.939 -5.981 0.708 1.00 0.00 C ATOM 208 CG1 ILE A 17 1.016 -4.626 0.001 1.00 0.00 C ATOM 209 CG2 ILE A 17 0.675 -7.094 -0.296 1.00 0.00 C ATOM 210 CD1 ILE A 17 2.135 -4.538 -1.014 1.00 0.00 C ATOM 0 H ILE A 17 0.970 -4.665 2.986 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.129 -5.835 1.303 1.00 0.00 H new ATOM 0 HB ILE A 17 1.897 -6.173 1.191 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.067 -4.431 -0.498 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.150 -3.843 0.747 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.460 -7.096 -1.052 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.665 -8.054 0.220 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.290 -6.930 -0.776 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.130 -3.551 -1.476 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.091 -4.701 -0.517 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.991 -5.299 -1.781 1.00 0.00 H new ATOM 222 N ARG A 18 -1.235 -8.031 2.446 1.00 0.00 N ATOM 223 CA ARG A 18 -1.344 -9.319 3.120 1.00 0.00 C ATOM 224 C ARG A 18 -2.237 -10.272 2.332 1.00 0.00 C ATOM 225 O ARG A 18 -3.454 -10.091 2.271 1.00 0.00 O ATOM 226 CB ARG A 18 -1.899 -9.133 4.534 1.00 0.00 C ATOM 227 CG ARG A 18 -2.204 -10.441 5.245 1.00 0.00 C ATOM 228 CD ARG A 18 -3.295 -10.266 6.289 1.00 0.00 C ATOM 229 NE ARG A 18 -2.817 -9.540 7.463 1.00 0.00 N ATOM 230 CZ ARG A 18 -3.557 -9.323 8.545 1.00 0.00 C ATOM 231 NH1 ARG A 18 -4.802 -9.774 8.602 1.00 0.00 N ATOM 232 NH2 ARG A 18 -3.051 -8.654 9.573 1.00 0.00 N ATOM 0 H ARG A 18 -2.059 -7.766 1.907 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.346 -9.753 3.183 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.180 -8.567 5.126 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.810 -8.536 4.482 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.514 -11.189 4.515 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.299 -10.817 5.722 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.136 -9.730 5.849 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.666 -11.245 6.594 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.863 -9.180 7.452 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.194 -10.289 7.814 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.368 -9.606 9.434 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.093 -8.306 9.533 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.620 -8.488 10.403 1.00 0.00 H new ATOM 246 N HIS A 19 -1.626 -11.287 1.730 1.00 0.00 N ATOM 247 CA HIS A 19 -2.366 -12.269 0.946 1.00 0.00 C ATOM 248 C HIS A 19 -2.591 -13.547 1.748 1.00 0.00 C ATOM 249 O HIS A 19 -1.660 -14.320 1.975 1.00 0.00 O ATOM 250 CB HIS A 19 -1.617 -12.589 -0.348 1.00 0.00 C ATOM 251 CG HIS A 19 -2.195 -13.745 -1.105 1.00 0.00 C ATOM 252 ND1 HIS A 19 -2.018 -15.058 -0.724 1.00 0.00 N ATOM 253 CD2 HIS A 19 -2.954 -13.779 -2.225 1.00 0.00 C ATOM 254 CE1 HIS A 19 -2.640 -15.850 -1.578 1.00 0.00 C ATOM 255 NE2 HIS A 19 -3.217 -15.099 -2.499 1.00 0.00 N ATOM 0 H HIS A 19 -0.620 -11.451 1.770 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.338 -11.842 0.698 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -1.622 -11.707 -0.989 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -0.575 -12.805 -0.111 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.290 -12.927 -2.797 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -2.672 -16.929 -1.531 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -3.768 -15.443 -3.285 1.00 0.00 H new ATOM 263 N SER A 20 -3.831 -13.763 2.174 1.00 0.00 N ATOM 264 CA SER A 20 -4.177 -14.945 2.955 1.00 0.00 C ATOM 265 C SER A 20 -4.190 -16.192 2.075 1.00 0.00 C ATOM 266 O SER A 20 -4.586 -16.140 0.911 1.00 0.00 O ATOM 267 CB SER A 20 -5.542 -14.762 3.619 1.00 0.00 C ATOM 268 OG SER A 20 -5.833 -15.839 4.493 1.00 0.00 O ATOM 0 H SER A 20 -4.613 -13.135 1.991 1.00 0.00 H new ATOM 0 HA SER A 20 -3.420 -15.074 3.728 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.557 -13.824 4.175 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.315 -14.691 2.854 1.00 0.00 H new ATOM 0 HG SER A 20 -6.628 -15.624 5.024 1.00 0.00 H new ATOM 274 N SER A 21 -3.752 -17.312 2.642 1.00 0.00 N ATOM 275 CA SER A 21 -3.709 -18.572 1.909 1.00 0.00 C ATOM 276 C SER A 21 -5.069 -19.263 1.937 1.00 0.00 C ATOM 277 O SER A 21 -5.554 -19.741 0.912 1.00 0.00 O ATOM 278 CB SER A 21 -2.644 -19.495 2.503 1.00 0.00 C ATOM 279 OG SER A 21 -2.841 -19.673 3.895 1.00 0.00 O ATOM 0 H SER A 21 -3.422 -17.372 3.605 1.00 0.00 H new ATOM 0 HA SER A 21 -3.453 -18.353 0.872 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.676 -20.462 2.002 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.654 -19.076 2.324 1.00 0.00 H new ATOM 0 HG SER A 21 -2.148 -20.268 4.250 1.00 0.00 H new ATOM 285 N GLN A 22 -5.678 -19.311 3.117 1.00 0.00 N ATOM 286 CA GLN A 22 -6.981 -19.944 3.279 1.00 0.00 C ATOM 287 C GLN A 22 -8.033 -19.252 2.418 1.00 0.00 C ATOM 288 O GLN A 22 -9.053 -19.846 2.070 1.00 0.00 O ATOM 289 CB GLN A 22 -7.407 -19.915 4.748 1.00 0.00 C ATOM 290 CG GLN A 22 -8.356 -21.040 5.129 1.00 0.00 C ATOM 291 CD GLN A 22 -9.608 -21.061 4.274 1.00 0.00 C ATOM 292 OE1 GLN A 22 -10.354 -20.083 4.220 1.00 0.00 O ATOM 293 NE2 GLN A 22 -9.847 -22.181 3.601 1.00 0.00 N ATOM 0 H GLN A 22 -5.290 -18.919 3.975 1.00 0.00 H new ATOM 0 HA GLN A 22 -6.896 -20.981 2.954 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.518 -19.972 5.377 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.886 -18.959 4.960 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -7.839 -21.995 5.033 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.638 -20.934 6.177 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -9.202 -22.968 3.675 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -10.676 -22.254 3.011 1.00 0.00 H new ATOM 302 N ARG A 23 -7.778 -17.993 2.079 1.00 0.00 N ATOM 303 CA ARG A 23 -8.703 -17.219 1.261 1.00 0.00 C ATOM 304 C ARG A 23 -8.144 -17.012 -0.144 1.00 0.00 C ATOM 305 O ARG A 23 -8.895 -16.807 -1.097 1.00 0.00 O ATOM 306 CB ARG A 23 -8.986 -15.865 1.914 1.00 0.00 C ATOM 307 CG ARG A 23 -10.156 -15.888 2.883 1.00 0.00 C ATOM 308 CD ARG A 23 -9.759 -16.486 4.223 1.00 0.00 C ATOM 309 NE ARG A 23 -10.756 -16.224 5.257 1.00 0.00 N ATOM 310 CZ ARG A 23 -10.849 -15.074 5.914 1.00 0.00 C ATOM 311 NH1 ARG A 23 -10.009 -14.084 5.646 1.00 0.00 N ATOM 312 NH2 ARG A 23 -11.784 -14.912 6.841 1.00 0.00 N ATOM 0 H ARG A 23 -6.938 -17.487 2.359 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.635 -17.778 1.184 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.093 -15.533 2.444 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.186 -15.130 1.134 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.526 -14.874 3.032 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.974 -16.466 2.453 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.624 -17.562 4.114 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.799 -16.074 4.533 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.418 -16.965 5.487 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.289 -14.205 4.934 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.083 -13.202 6.152 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.432 -15.671 7.050 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.855 -14.028 7.345 1.00 0.00 H new ATOM 326 N ASN A 24 -6.822 -17.067 -0.263 1.00 0.00 N ATOM 327 CA ASN A 24 -6.162 -16.885 -1.551 1.00 0.00 C ATOM 328 C ASN A 24 -6.537 -15.541 -2.169 1.00 0.00 C ATOM 329 O ASN A 24 -6.679 -15.422 -3.386 1.00 0.00 O ATOM 330 CB ASN A 24 -6.538 -18.020 -2.505 1.00 0.00 C ATOM 331 CG ASN A 24 -6.497 -19.378 -1.833 1.00 0.00 C ATOM 332 OD1 ASN A 24 -7.526 -19.905 -1.409 1.00 0.00 O ATOM 333 ND2 ASN A 24 -5.304 -19.952 -1.731 1.00 0.00 N ATOM 0 H ASN A 24 -6.186 -17.236 0.517 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.085 -16.901 -1.385 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.539 -17.843 -2.899 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.856 -18.018 -3.355 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.214 -20.866 -1.287 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.478 -19.479 -2.096 1.00 0.00 H new ATOM 340 N LYS A 25 -6.695 -14.530 -1.321 1.00 0.00 N ATOM 341 CA LYS A 25 -7.052 -13.193 -1.781 1.00 0.00 C ATOM 342 C LYS A 25 -5.976 -12.182 -1.400 1.00 0.00 C ATOM 343 O LYS A 25 -5.266 -12.358 -0.409 1.00 0.00 O ATOM 344 CB LYS A 25 -8.398 -12.770 -1.190 1.00 0.00 C ATOM 345 CG LYS A 25 -9.585 -13.495 -1.798 1.00 0.00 C ATOM 346 CD LYS A 25 -10.835 -12.630 -1.783 1.00 0.00 C ATOM 347 CE LYS A 25 -12.098 -13.476 -1.748 1.00 0.00 C ATOM 348 NZ LYS A 25 -13.311 -12.675 -2.073 1.00 0.00 N ATOM 0 H LYS A 25 -6.581 -14.611 -0.311 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.133 -13.219 -2.868 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.385 -12.949 -0.115 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.527 -11.697 -1.333 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.352 -13.781 -2.824 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.772 -14.416 -1.245 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.813 -11.972 -0.915 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.848 -11.992 -2.667 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.004 -14.298 -2.458 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.210 -13.920 -0.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.151 -13.287 -2.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.415 -11.906 -1.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.215 -12.272 -3.027 1.00 0.00 H new ATOM 362 N LEU A 26 -5.860 -11.121 -2.192 1.00 0.00 N ATOM 363 CA LEU A 26 -4.871 -10.080 -1.936 1.00 0.00 C ATOM 364 C LEU A 26 -5.532 -8.831 -1.360 1.00 0.00 C ATOM 365 O LEU A 26 -6.182 -8.073 -2.079 1.00 0.00 O ATOM 366 CB LEU A 26 -4.127 -9.728 -3.226 1.00 0.00 C ATOM 367 CG LEU A 26 -3.111 -8.590 -3.125 1.00 0.00 C ATOM 368 CD1 LEU A 26 -1.865 -9.051 -2.384 1.00 0.00 C ATOM 369 CD2 LEU A 26 -2.750 -8.073 -4.510 1.00 0.00 C ATOM 0 H LEU A 26 -6.439 -10.959 -3.016 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.158 -10.462 -1.205 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.609 -10.620 -3.578 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.863 -9.465 -3.986 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.563 -7.774 -2.561 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.153 -8.228 -2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.137 -9.372 -1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.410 -9.884 -2.920 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.026 -7.263 -4.419 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.318 -8.882 -5.099 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.648 -7.703 -5.006 1.00 0.00 H new ATOM 381 N ILE A 27 -5.358 -8.624 -0.059 1.00 0.00 N ATOM 382 CA ILE A 27 -5.935 -7.466 0.613 1.00 0.00 C ATOM 383 C ILE A 27 -4.925 -6.328 0.710 1.00 0.00 C ATOM 384 O ILE A 27 -3.772 -6.537 1.087 1.00 0.00 O ATOM 385 CB ILE A 27 -6.427 -7.823 2.028 1.00 0.00 C ATOM 386 CG1 ILE A 27 -7.627 -8.768 1.951 1.00 0.00 C ATOM 387 CG2 ILE A 27 -6.788 -6.561 2.797 1.00 0.00 C ATOM 388 CD1 ILE A 27 -7.242 -10.229 1.874 1.00 0.00 C ATOM 0 H ILE A 27 -4.823 -9.242 0.550 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.786 -7.144 0.012 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.622 -8.331 2.559 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -8.258 -8.613 2.826 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.225 -8.512 1.077 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.134 -6.830 3.795 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.910 -5.920 2.878 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.579 -6.028 2.270 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -8.143 -10.840 1.822 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.636 -10.399 0.984 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -6.669 -10.502 2.760 1.00 0.00 H new ATOM 400 N VAL A 28 -5.366 -5.121 0.370 1.00 0.00 N ATOM 401 CA VAL A 28 -4.502 -3.948 0.421 1.00 0.00 C ATOM 402 C VAL A 28 -5.219 -2.765 1.061 1.00 0.00 C ATOM 403 O VAL A 28 -6.186 -2.238 0.510 1.00 0.00 O ATOM 404 CB VAL A 28 -4.021 -3.543 -0.985 1.00 0.00 C ATOM 405 CG1 VAL A 28 -3.024 -2.397 -0.899 1.00 0.00 C ATOM 406 CG2 VAL A 28 -3.411 -4.737 -1.703 1.00 0.00 C ATOM 0 H VAL A 28 -6.318 -4.930 0.056 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.638 -4.218 1.028 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.882 -3.202 -1.560 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.695 -2.125 -1.902 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.498 -1.537 -0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.163 -2.707 -0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.076 -4.433 -2.695 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.561 -5.110 -1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.158 -5.525 -1.798 1.00 0.00 H new ATOM 416 N VAL A 29 -4.739 -2.350 2.229 1.00 0.00 N ATOM 417 CA VAL A 29 -5.333 -1.227 2.945 1.00 0.00 C ATOM 418 C VAL A 29 -4.557 0.060 2.689 1.00 0.00 C ATOM 419 O VAL A 29 -3.340 0.110 2.868 1.00 0.00 O ATOM 420 CB VAL A 29 -5.383 -1.491 4.461 1.00 0.00 C ATOM 421 CG1 VAL A 29 -6.244 -0.448 5.157 1.00 0.00 C ATOM 422 CG2 VAL A 29 -5.901 -2.894 4.741 1.00 0.00 C ATOM 0 H VAL A 29 -3.940 -2.775 2.700 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.350 -1.115 2.570 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.371 -1.416 4.858 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.267 -0.651 6.228 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.825 0.543 4.985 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.258 -0.488 4.758 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.930 -3.063 5.817 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.905 -3.000 4.330 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.240 -3.625 4.276 1.00 0.00 H new ATOM 432 N VAL A 30 -5.269 1.101 2.270 1.00 0.00 N ATOM 433 CA VAL A 30 -4.648 2.390 1.991 1.00 0.00 C ATOM 434 C VAL A 30 -4.868 3.367 3.141 1.00 0.00 C ATOM 435 O VAL A 30 -5.810 4.160 3.124 1.00 0.00 O ATOM 436 CB VAL A 30 -5.198 3.010 0.693 1.00 0.00 C ATOM 437 CG1 VAL A 30 -4.422 4.267 0.330 1.00 0.00 C ATOM 438 CG2 VAL A 30 -5.151 1.998 -0.442 1.00 0.00 C ATOM 0 H VAL A 30 -6.277 1.077 2.116 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.580 2.207 1.873 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.239 3.290 0.857 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.825 4.691 -0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.513 4.996 1.135 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.371 4.016 0.184 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.543 2.453 -1.352 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.120 1.685 -0.608 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.756 1.130 -0.181 1.00 0.00 H new ATOM 448 N HIS A 31 -3.993 3.304 4.140 1.00 0.00 N ATOM 449 CA HIS A 31 -4.091 4.184 5.299 1.00 0.00 C ATOM 450 C HIS A 31 -4.286 5.634 4.865 1.00 0.00 C ATOM 451 O HIS A 31 -5.385 6.178 4.961 1.00 0.00 O ATOM 452 CB HIS A 31 -2.838 4.062 6.166 1.00 0.00 C ATOM 453 CG HIS A 31 -2.608 2.681 6.697 1.00 0.00 C ATOM 454 ND1 HIS A 31 -3.438 2.082 7.621 1.00 0.00 N ATOM 455 CD2 HIS A 31 -1.636 1.778 6.426 1.00 0.00 C ATOM 456 CE1 HIS A 31 -2.985 0.872 7.898 1.00 0.00 C ATOM 457 NE2 HIS A 31 -1.893 0.663 7.185 1.00 0.00 N ATOM 0 H HIS A 31 -3.208 2.653 4.170 1.00 0.00 H new ATOM 0 HA HIS A 31 -4.959 3.879 5.884 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -1.970 4.366 5.581 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -2.917 4.756 7.003 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -0.812 1.910 5.740 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -3.432 0.173 8.590 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -1.332 -0.189 7.196 1.00 0.00 H new ATOM 465 N ALA A 32 -3.211 6.253 4.389 1.00 0.00 N ATOM 466 CA ALA A 32 -3.263 7.638 3.939 1.00 0.00 C ATOM 467 C ALA A 32 -1.933 8.069 3.330 1.00 0.00 C ATOM 468 O ALA A 32 -0.896 7.455 3.583 1.00 0.00 O ATOM 469 CB ALA A 32 -3.638 8.554 5.095 1.00 0.00 C ATOM 0 H ALA A 32 -2.293 5.817 4.305 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.027 7.714 3.166 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.673 9.586 4.745 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.616 8.269 5.483 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.894 8.465 5.886 1.00 0.00 H new ATOM 475 N CYS A 33 -1.971 9.127 2.528 1.00 0.00 N ATOM 476 CA CYS A 33 -0.768 9.639 1.881 1.00 0.00 C ATOM 477 C CYS A 33 -0.311 10.939 2.534 1.00 0.00 C ATOM 478 O CYS A 33 -1.041 11.540 3.322 1.00 0.00 O ATOM 479 CB CYS A 33 -1.022 9.865 0.390 1.00 0.00 C ATOM 480 SG CYS A 33 -0.788 8.390 -0.631 1.00 0.00 S ATOM 0 H CYS A 33 -2.821 9.647 2.310 1.00 0.00 H new ATOM 0 HA CYS A 33 0.022 8.897 1.999 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.041 10.228 0.257 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.355 10.650 0.034 1.00 0.00 H new ATOM 0 HG CYS A 33 -1.263 7.352 -0.009 1.00 0.00 H new ATOM 486 N ARG A 34 0.903 11.367 2.202 1.00 0.00 N ATOM 487 CA ARG A 34 1.459 12.594 2.759 1.00 0.00 C ATOM 488 C ARG A 34 2.545 13.161 1.849 1.00 0.00 C ATOM 489 O ARG A 34 3.072 12.461 0.985 1.00 0.00 O ATOM 490 CB ARG A 34 2.031 12.334 4.154 1.00 0.00 C ATOM 491 CG ARG A 34 3.002 11.165 4.205 1.00 0.00 C ATOM 492 CD ARG A 34 3.449 10.874 5.629 1.00 0.00 C ATOM 493 NE ARG A 34 4.496 11.790 6.072 1.00 0.00 N ATOM 494 CZ ARG A 34 4.253 12.985 6.599 1.00 0.00 C ATOM 495 NH1 ARG A 34 3.005 13.406 6.748 1.00 0.00 N ATOM 496 NH2 ARG A 34 5.260 13.762 6.979 1.00 0.00 N ATOM 0 H ARG A 34 1.520 10.882 1.550 1.00 0.00 H new ATOM 0 HA ARG A 34 0.654 13.325 2.835 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.539 13.233 4.503 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.210 12.144 4.845 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.529 10.279 3.783 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.872 11.386 3.587 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.593 10.950 6.300 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.814 9.849 5.692 1.00 0.00 H new ATOM 0 HE ARG A 34 5.468 11.496 5.971 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.228 12.812 6.458 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.821 14.324 7.153 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.222 13.442 6.866 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.072 14.679 7.383 1.00 0.00 H new ATOM 510 N ASN A 35 2.875 14.432 2.050 1.00 0.00 N ATOM 511 CA ASN A 35 3.897 15.093 1.247 1.00 0.00 C ATOM 512 C ASN A 35 3.564 15.004 -0.239 1.00 0.00 C ATOM 513 O ASN A 35 4.405 14.620 -1.053 1.00 0.00 O ATOM 514 CB ASN A 35 5.268 14.466 1.513 1.00 0.00 C ATOM 515 CG ASN A 35 5.981 15.111 2.686 1.00 0.00 C ATOM 516 OD1 ASN A 35 5.898 16.323 2.887 1.00 0.00 O ATOM 517 ND2 ASN A 35 6.685 14.301 3.467 1.00 0.00 N ATOM 0 H ASN A 35 2.449 15.025 2.762 1.00 0.00 H new ATOM 0 HA ASN A 35 3.924 16.145 1.532 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.146 13.400 1.707 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.886 14.558 0.620 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.186 14.677 4.272 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.725 13.303 3.262 1.00 0.00 H new ATOM 524 N LEU A 36 2.333 15.361 -0.586 1.00 0.00 N ATOM 525 CA LEU A 36 1.888 15.322 -1.974 1.00 0.00 C ATOM 526 C LEU A 36 1.980 16.704 -2.615 1.00 0.00 C ATOM 527 O LEU A 36 1.010 17.461 -2.623 1.00 0.00 O ATOM 528 CB LEU A 36 0.450 14.806 -2.056 1.00 0.00 C ATOM 529 CG LEU A 36 0.231 13.359 -1.610 1.00 0.00 C ATOM 530 CD1 LEU A 36 -1.235 12.977 -1.741 1.00 0.00 C ATOM 531 CD2 LEU A 36 1.105 12.413 -2.420 1.00 0.00 C ATOM 0 H LEU A 36 1.625 15.681 0.075 1.00 0.00 H new ATOM 0 HA LEU A 36 2.543 14.643 -2.520 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.182 15.453 -1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.108 14.904 -3.086 1.00 0.00 H new ATOM 0 HG LEU A 36 0.515 13.275 -0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.372 11.945 -1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.840 13.635 -1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.546 13.077 -2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.936 11.388 -2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.852 12.499 -3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.154 12.673 -2.275 1.00 0.00 H new ATOM 543 N ILE A 37 3.153 17.023 -3.152 1.00 0.00 N ATOM 544 CA ILE A 37 3.371 18.312 -3.797 1.00 0.00 C ATOM 545 C ILE A 37 2.163 18.719 -4.634 1.00 0.00 C ATOM 546 O ILE A 37 1.561 17.891 -5.317 1.00 0.00 O ATOM 547 CB ILE A 37 4.620 18.286 -4.698 1.00 0.00 C ATOM 548 CG1 ILE A 37 4.371 17.412 -5.928 1.00 0.00 C ATOM 549 CG2 ILE A 37 5.825 17.782 -3.918 1.00 0.00 C ATOM 550 CD1 ILE A 37 3.813 18.175 -7.109 1.00 0.00 C ATOM 0 H ILE A 37 3.966 16.407 -3.153 1.00 0.00 H new ATOM 0 HA ILE A 37 3.522 19.042 -3.001 1.00 0.00 H new ATOM 0 HB ILE A 37 4.828 19.302 -5.034 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.307 16.938 -6.222 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.679 16.613 -5.662 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.700 17.769 -4.568 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.012 18.442 -3.071 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.628 16.773 -3.555 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.662 17.492 -7.945 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.860 18.627 -6.833 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.514 18.956 -7.402 1.00 0.00 H new ATOM 562 N ALA A 38 1.815 20.000 -4.578 1.00 0.00 N ATOM 563 CA ALA A 38 0.682 20.518 -5.334 1.00 0.00 C ATOM 564 C ALA A 38 1.140 21.160 -6.639 1.00 0.00 C ATOM 565 O ALA A 38 2.043 21.996 -6.648 1.00 0.00 O ATOM 566 CB ALA A 38 -0.098 21.520 -4.496 1.00 0.00 C ATOM 0 H ALA A 38 2.302 20.699 -4.016 1.00 0.00 H new ATOM 0 HA ALA A 38 0.029 19.681 -5.581 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.941 21.899 -5.073 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.466 21.031 -3.594 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.554 22.349 -4.220 1.00 0.00 H new ATOM 572 N PHE A 39 0.511 20.763 -7.741 1.00 0.00 N ATOM 573 CA PHE A 39 0.855 21.299 -9.052 1.00 0.00 C ATOM 574 C PHE A 39 1.159 22.792 -8.968 1.00 0.00 C ATOM 575 O PHE A 39 2.102 23.281 -9.590 1.00 0.00 O ATOM 576 CB PHE A 39 -0.286 21.054 -10.042 1.00 0.00 C ATOM 577 CG PHE A 39 0.175 20.910 -11.465 1.00 0.00 C ATOM 578 CD1 PHE A 39 0.800 19.749 -11.890 1.00 0.00 C ATOM 579 CD2 PHE A 39 -0.015 21.936 -12.376 1.00 0.00 C ATOM 580 CE1 PHE A 39 1.225 19.613 -13.198 1.00 0.00 C ATOM 581 CE2 PHE A 39 0.407 21.806 -13.685 1.00 0.00 C ATOM 582 CZ PHE A 39 1.029 20.643 -14.097 1.00 0.00 C ATOM 0 H PHE A 39 -0.239 20.072 -7.751 1.00 0.00 H new ATOM 0 HA PHE A 39 1.749 20.784 -9.404 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.823 20.152 -9.749 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.994 21.880 -9.980 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.957 18.941 -11.191 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.499 22.848 -12.059 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.710 18.702 -13.517 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.251 22.613 -14.386 1.00 0.00 H new ATOM 0 HZ PHE A 39 1.361 20.540 -15.119 1.00 0.00 H new ATOM 592 N SER A 40 0.352 23.511 -8.194 1.00 0.00 N ATOM 593 CA SER A 40 0.530 24.949 -8.030 1.00 0.00 C ATOM 594 C SER A 40 0.481 25.338 -6.556 1.00 0.00 C ATOM 595 O SER A 40 0.081 26.449 -6.210 1.00 0.00 O ATOM 596 CB SER A 40 -0.547 25.709 -8.807 1.00 0.00 C ATOM 597 OG SER A 40 -0.087 26.993 -9.192 1.00 0.00 O ATOM 0 H SER A 40 -0.432 23.121 -7.671 1.00 0.00 H new ATOM 0 HA SER A 40 1.510 25.217 -8.425 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.831 25.140 -9.692 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.441 25.809 -8.192 1.00 0.00 H new ATOM 0 HG SER A 40 -0.793 27.458 -9.688 1.00 0.00 H new ATOM 603 N GLU A 41 0.890 24.414 -5.692 1.00 0.00 N ATOM 604 CA GLU A 41 0.891 24.660 -4.255 1.00 0.00 C ATOM 605 C GLU A 41 -0.349 25.443 -3.836 1.00 0.00 C ATOM 606 O GLU A 41 -0.301 26.258 -2.914 1.00 0.00 O ATOM 607 CB GLU A 41 2.152 25.425 -3.848 1.00 0.00 C ATOM 608 CG GLU A 41 3.312 24.524 -3.459 1.00 0.00 C ATOM 609 CD GLU A 41 4.453 25.287 -2.814 1.00 0.00 C ATOM 610 OE1 GLU A 41 4.737 26.418 -3.261 1.00 0.00 O ATOM 611 OE2 GLU A 41 5.061 24.754 -1.863 1.00 0.00 O ATOM 0 H GLU A 41 1.225 23.489 -5.962 1.00 0.00 H new ATOM 0 HA GLU A 41 0.879 23.696 -3.747 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.461 26.065 -4.675 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.915 26.080 -3.010 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.957 23.758 -2.770 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.680 24.009 -4.346 1.00 0.00 H new ATOM 618 N ASP A 42 -1.460 25.191 -4.520 1.00 0.00 N ATOM 619 CA ASP A 42 -2.714 25.871 -4.219 1.00 0.00 C ATOM 620 C ASP A 42 -3.777 24.876 -3.764 1.00 0.00 C ATOM 621 O ASP A 42 -4.569 25.164 -2.868 1.00 0.00 O ATOM 622 CB ASP A 42 -3.210 26.639 -5.446 1.00 0.00 C ATOM 623 CG ASP A 42 -4.568 27.274 -5.222 1.00 0.00 C ATOM 624 OD1 ASP A 42 -4.646 28.249 -4.445 1.00 0.00 O ATOM 625 OD2 ASP A 42 -5.552 26.796 -5.823 1.00 0.00 O ATOM 0 H ASP A 42 -1.517 24.521 -5.287 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.530 26.576 -3.408 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.488 27.414 -5.702 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.265 25.961 -6.298 1.00 0.00 H new ATOM 630 N GLY A 43 -3.787 23.702 -4.388 1.00 0.00 N ATOM 631 CA GLY A 43 -4.757 22.682 -4.034 1.00 0.00 C ATOM 632 C GLY A 43 -5.085 21.766 -5.196 1.00 0.00 C ATOM 633 O GLY A 43 -5.752 22.173 -6.147 1.00 0.00 O ATOM 0 H GLY A 43 -3.141 23.439 -5.132 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.370 22.089 -3.206 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.671 23.161 -3.683 1.00 0.00 H new ATOM 637 N SER A 44 -4.615 20.525 -5.121 1.00 0.00 N ATOM 638 CA SER A 44 -4.858 19.550 -6.177 1.00 0.00 C ATOM 639 C SER A 44 -5.772 18.432 -5.685 1.00 0.00 C ATOM 640 O SER A 44 -6.171 18.408 -4.521 1.00 0.00 O ATOM 641 CB SER A 44 -3.535 18.962 -6.672 1.00 0.00 C ATOM 642 OG SER A 44 -2.911 19.826 -7.606 1.00 0.00 O ATOM 0 H SER A 44 -4.063 20.171 -4.339 1.00 0.00 H new ATOM 0 HA SER A 44 -5.352 20.062 -7.003 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.869 18.794 -5.826 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.715 17.991 -7.134 1.00 0.00 H new ATOM 0 HG SER A 44 -3.146 19.548 -8.516 1.00 0.00 H new ATOM 648 N ASP A 45 -6.099 17.507 -6.581 1.00 0.00 N ATOM 649 CA ASP A 45 -6.965 16.384 -6.239 1.00 0.00 C ATOM 650 C ASP A 45 -6.184 15.074 -6.242 1.00 0.00 C ATOM 651 O ASP A 45 -6.210 14.310 -7.207 1.00 0.00 O ATOM 652 CB ASP A 45 -8.135 16.297 -7.221 1.00 0.00 C ATOM 653 CG ASP A 45 -8.566 17.659 -7.730 1.00 0.00 C ATOM 654 OD1 ASP A 45 -7.704 18.398 -8.251 1.00 0.00 O ATOM 655 OD2 ASP A 45 -9.765 17.985 -7.608 1.00 0.00 O ATOM 0 H ASP A 45 -5.778 17.512 -7.549 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.355 16.551 -5.235 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.851 15.670 -8.066 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.980 15.811 -6.733 1.00 0.00 H new ATOM 660 N PRO A 46 -5.470 14.807 -5.138 1.00 0.00 N ATOM 661 CA PRO A 46 -4.667 13.590 -4.989 1.00 0.00 C ATOM 662 C PRO A 46 -5.529 12.340 -4.853 1.00 0.00 C ATOM 663 O PRO A 46 -6.540 12.345 -4.150 1.00 0.00 O ATOM 664 CB PRO A 46 -3.880 13.840 -3.701 1.00 0.00 C ATOM 665 CG PRO A 46 -4.713 14.804 -2.929 1.00 0.00 C ATOM 666 CD PRO A 46 -5.393 15.673 -3.950 1.00 0.00 C ATOM 0 HA PRO A 46 -4.038 13.407 -5.860 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.727 12.915 -3.145 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.893 14.251 -3.914 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.444 14.281 -2.312 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.097 15.401 -2.256 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.382 15.986 -3.616 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.822 16.580 -4.150 1.00 0.00 H new ATOM 674 N TYR A 47 -5.124 11.271 -5.528 1.00 0.00 N ATOM 675 CA TYR A 47 -5.861 10.013 -5.484 1.00 0.00 C ATOM 676 C TYR A 47 -4.954 8.838 -5.837 1.00 0.00 C ATOM 677 O TYR A 47 -4.091 8.944 -6.708 1.00 0.00 O ATOM 678 CB TYR A 47 -7.050 10.061 -6.444 1.00 0.00 C ATOM 679 CG TYR A 47 -6.714 9.607 -7.847 1.00 0.00 C ATOM 680 CD1 TYR A 47 -6.271 10.512 -8.804 1.00 0.00 C ATOM 681 CD2 TYR A 47 -6.839 8.273 -8.215 1.00 0.00 C ATOM 682 CE1 TYR A 47 -5.964 10.102 -10.086 1.00 0.00 C ATOM 683 CE2 TYR A 47 -6.533 7.854 -9.495 1.00 0.00 C ATOM 684 CZ TYR A 47 -6.096 8.772 -10.427 1.00 0.00 C ATOM 685 OH TYR A 47 -5.790 8.359 -11.704 1.00 0.00 O ATOM 0 H TYR A 47 -4.289 11.250 -6.113 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.229 9.872 -4.468 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.850 9.434 -6.050 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.434 11.080 -6.483 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.165 11.554 -8.540 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.181 7.552 -7.488 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.622 10.819 -10.818 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.635 6.813 -9.765 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.091 8.937 -12.076 1.00 0.00 H new ATOM 695 N VAL A 48 -5.158 7.716 -5.153 1.00 0.00 N ATOM 696 CA VAL A 48 -4.362 6.519 -5.394 1.00 0.00 C ATOM 697 C VAL A 48 -4.992 5.648 -6.475 1.00 0.00 C ATOM 698 O VAL A 48 -6.191 5.739 -6.740 1.00 0.00 O ATOM 699 CB VAL A 48 -4.199 5.685 -4.109 1.00 0.00 C ATOM 700 CG1 VAL A 48 -3.267 4.507 -4.351 1.00 0.00 C ATOM 701 CG2 VAL A 48 -3.687 6.555 -2.971 1.00 0.00 C ATOM 0 H VAL A 48 -5.868 7.612 -4.428 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.380 6.854 -5.728 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.175 5.292 -3.825 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.164 3.930 -3.432 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.680 3.872 -5.135 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.288 4.875 -4.660 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.578 5.950 -2.071 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.720 6.978 -3.243 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.396 7.361 -2.782 1.00 0.00 H new ATOM 711 N ARG A 49 -4.176 4.803 -7.097 1.00 0.00 N ATOM 712 CA ARG A 49 -4.653 3.916 -8.151 1.00 0.00 C ATOM 713 C ARG A 49 -3.936 2.570 -8.094 1.00 0.00 C ATOM 714 O ARG A 49 -2.709 2.507 -8.155 1.00 0.00 O ATOM 715 CB ARG A 49 -4.445 4.560 -9.523 1.00 0.00 C ATOM 716 CG ARG A 49 -5.096 3.791 -10.661 1.00 0.00 C ATOM 717 CD ARG A 49 -4.608 4.282 -12.015 1.00 0.00 C ATOM 718 NE ARG A 49 -5.426 5.379 -12.527 1.00 0.00 N ATOM 719 CZ ARG A 49 -5.163 6.028 -13.655 1.00 0.00 C ATOM 720 NH1 ARG A 49 -4.109 5.692 -14.387 1.00 0.00 N ATOM 721 NH2 ARG A 49 -5.955 7.015 -14.055 1.00 0.00 N ATOM 0 H ARG A 49 -3.181 4.714 -6.889 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.719 3.748 -7.995 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.846 5.573 -9.504 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.376 4.644 -9.717 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.876 2.729 -10.557 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.179 3.899 -10.602 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.572 4.611 -11.929 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.622 3.456 -12.727 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.244 5.662 -11.988 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.498 4.933 -14.084 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.909 6.192 -15.253 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.767 7.276 -13.496 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.752 7.513 -14.922 1.00 0.00 H new ATOM 735 N MET A 50 -4.711 1.497 -7.977 1.00 0.00 N ATOM 736 CA MET A 50 -4.149 0.152 -7.914 1.00 0.00 C ATOM 737 C MET A 50 -4.498 -0.642 -9.168 1.00 0.00 C ATOM 738 O MET A 50 -5.655 -0.684 -9.587 1.00 0.00 O ATOM 739 CB MET A 50 -4.664 -0.580 -6.673 1.00 0.00 C ATOM 740 CG MET A 50 -3.918 -0.216 -5.399 1.00 0.00 C ATOM 741 SD MET A 50 -4.404 -1.236 -3.994 1.00 0.00 S ATOM 742 CE MET A 50 -5.966 -0.479 -3.551 1.00 0.00 C ATOM 0 H MET A 50 -5.729 1.532 -7.924 1.00 0.00 H new ATOM 0 HA MET A 50 -3.064 0.240 -7.852 1.00 0.00 H new ATOM 0 HB2 MET A 50 -5.722 -0.355 -6.541 1.00 0.00 H new ATOM 0 HB3 MET A 50 -4.585 -1.655 -6.836 1.00 0.00 H new ATOM 0 HG2 MET A 50 -2.846 -0.323 -5.567 1.00 0.00 H new ATOM 0 HG3 MET A 50 -4.101 0.832 -5.162 1.00 0.00 H new ATOM 0 HE1 MET A 50 -6.044 -0.414 -2.466 1.00 0.00 H new ATOM 0 HE2 MET A 50 -6.020 0.522 -3.979 1.00 0.00 H new ATOM 0 HE3 MET A 50 -6.786 -1.084 -3.938 1.00 0.00 H new ATOM 752 N TYR A 51 -3.490 -1.271 -9.764 1.00 0.00 N ATOM 753 CA TYR A 51 -3.690 -2.062 -10.972 1.00 0.00 C ATOM 754 C TYR A 51 -2.826 -3.319 -10.949 1.00 0.00 C ATOM 755 O TYR A 51 -1.597 -3.242 -10.926 1.00 0.00 O ATOM 756 CB TYR A 51 -3.363 -1.228 -12.212 1.00 0.00 C ATOM 757 CG TYR A 51 -4.550 -0.467 -12.760 1.00 0.00 C ATOM 758 CD1 TYR A 51 -5.146 0.551 -12.025 1.00 0.00 C ATOM 759 CD2 TYR A 51 -5.075 -0.766 -14.011 1.00 0.00 C ATOM 760 CE1 TYR A 51 -6.231 1.248 -12.521 1.00 0.00 C ATOM 761 CE2 TYR A 51 -6.158 -0.073 -14.515 1.00 0.00 C ATOM 762 CZ TYR A 51 -6.733 0.933 -13.766 1.00 0.00 C ATOM 763 OH TYR A 51 -7.813 1.625 -14.264 1.00 0.00 O ATOM 0 H TYR A 51 -2.527 -1.248 -9.430 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.737 -2.363 -11.010 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.571 -0.521 -11.966 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.973 -1.885 -12.989 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.755 0.801 -11.050 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.629 -1.554 -14.599 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.684 2.035 -11.937 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.553 -0.317 -15.490 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.041 1.280 -15.153 1.00 0.00 H new ATOM 773 N LEU A 52 -3.478 -4.476 -10.956 1.00 0.00 N ATOM 774 CA LEU A 52 -2.771 -5.753 -10.937 1.00 0.00 C ATOM 775 C LEU A 52 -2.034 -5.987 -12.252 1.00 0.00 C ATOM 776 O LEU A 52 -2.591 -6.545 -13.198 1.00 0.00 O ATOM 777 CB LEU A 52 -3.752 -6.898 -10.679 1.00 0.00 C ATOM 778 CG LEU A 52 -3.151 -8.178 -10.099 1.00 0.00 C ATOM 779 CD1 LEU A 52 -2.108 -7.848 -9.042 1.00 0.00 C ATOM 780 CD2 LEU A 52 -4.243 -9.063 -9.514 1.00 0.00 C ATOM 0 H LEU A 52 -4.495 -4.557 -10.975 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.038 -5.722 -10.131 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.524 -6.542 -9.997 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.246 -7.146 -11.619 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.661 -8.723 -10.906 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.692 -8.772 -8.641 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.311 -7.255 -9.490 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.573 -7.280 -8.236 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.797 -9.970 -9.106 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.761 -8.525 -8.721 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.954 -9.329 -10.296 1.00 0.00 H new ATOM 792 N LEU A 53 -0.777 -5.559 -12.304 1.00 0.00 N ATOM 793 CA LEU A 53 0.038 -5.723 -13.502 1.00 0.00 C ATOM 794 C LEU A 53 0.427 -7.185 -13.699 1.00 0.00 C ATOM 795 O LEU A 53 0.548 -7.955 -12.746 1.00 0.00 O ATOM 796 CB LEU A 53 1.296 -4.857 -13.410 1.00 0.00 C ATOM 797 CG LEU A 53 1.066 -3.362 -13.186 1.00 0.00 C ATOM 798 CD1 LEU A 53 2.383 -2.656 -12.904 1.00 0.00 C ATOM 799 CD2 LEU A 53 0.373 -2.742 -14.391 1.00 0.00 C ATOM 0 H LEU A 53 -0.301 -5.096 -11.530 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.553 -5.404 -14.360 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.915 -5.235 -12.596 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.868 -4.983 -14.330 1.00 0.00 H new ATOM 0 HG LEU A 53 0.419 -3.240 -12.318 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.200 -1.593 -12.747 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.840 -3.081 -12.010 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.055 -2.787 -13.752 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.218 -1.678 -14.214 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.994 -2.875 -15.277 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.590 -3.228 -14.547 1.00 0.00 H new ATOM 811 N PRO A 54 0.631 -7.578 -14.966 1.00 0.00 N ATOM 812 CA PRO A 54 0.489 -6.671 -16.108 1.00 0.00 C ATOM 813 C PRO A 54 -0.962 -6.277 -16.360 1.00 0.00 C ATOM 814 O PRO A 54 -1.252 -5.138 -16.727 1.00 0.00 O ATOM 815 CB PRO A 54 1.033 -7.490 -17.281 1.00 0.00 C ATOM 816 CG PRO A 54 0.840 -8.910 -16.873 1.00 0.00 C ATOM 817 CD PRO A 54 1.014 -8.938 -15.379 1.00 0.00 C ATOM 0 HA PRO A 54 1.014 -5.729 -15.948 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.496 -7.266 -18.203 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.085 -7.270 -17.464 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.150 -9.267 -17.158 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.566 -9.559 -17.363 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.379 -9.693 -14.915 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.042 -9.169 -15.098 1.00 0.00 H new ATOM 825 N ASP A 55 -1.870 -7.226 -16.161 1.00 0.00 N ATOM 826 CA ASP A 55 -3.293 -6.977 -16.365 1.00 0.00 C ATOM 827 C ASP A 55 -3.651 -5.540 -16.002 1.00 0.00 C ATOM 828 O ASP A 55 -3.703 -5.179 -14.826 1.00 0.00 O ATOM 829 CB ASP A 55 -4.127 -7.950 -15.531 1.00 0.00 C ATOM 830 CG ASP A 55 -4.195 -9.333 -16.150 1.00 0.00 C ATOM 831 OD1 ASP A 55 -3.759 -9.485 -17.310 1.00 0.00 O ATOM 832 OD2 ASP A 55 -4.685 -10.262 -15.474 1.00 0.00 O ATOM 0 H ASP A 55 -1.647 -8.174 -15.859 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.516 -7.132 -17.421 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.701 -8.024 -14.530 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.137 -7.555 -15.419 1.00 0.00 H new ATOM 949 N ARG A 62 -9.641 -0.209 -9.563 1.00 0.00 N ATOM 950 CA ARG A 62 -10.067 0.204 -8.232 1.00 0.00 C ATOM 951 C ARG A 62 -9.182 1.328 -7.701 1.00 0.00 C ATOM 952 O ARG A 62 -7.957 1.274 -7.814 1.00 0.00 O ATOM 953 CB ARG A 62 -10.032 -0.985 -7.270 1.00 0.00 C ATOM 954 CG ARG A 62 -11.061 -0.898 -6.155 1.00 0.00 C ATOM 955 CD ARG A 62 -12.461 -1.201 -6.664 1.00 0.00 C ATOM 956 NE ARG A 62 -13.127 -0.008 -7.181 1.00 0.00 N ATOM 957 CZ ARG A 62 -14.141 -0.045 -8.037 1.00 0.00 C ATOM 958 NH1 ARG A 62 -14.605 -1.209 -8.471 1.00 0.00 N ATOM 959 NH2 ARG A 62 -14.695 1.084 -8.461 1.00 0.00 N ATOM 0 HA ARG A 62 -11.090 0.574 -8.304 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -10.197 -1.903 -7.834 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -9.037 -1.056 -6.830 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.801 -1.600 -5.363 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -11.040 0.100 -5.716 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -12.406 -1.954 -7.450 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -13.056 -1.627 -5.856 1.00 0.00 H new ATOM 0 HE ARG A 62 -12.795 0.904 -6.867 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -14.183 -2.079 -8.147 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -15.384 -1.234 -9.129 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -14.342 1.981 -8.129 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -15.474 1.054 -9.119 1.00 0.00 H new ATOM 973 N LYS A 63 -9.810 2.345 -7.122 1.00 0.00 N ATOM 974 CA LYS A 63 -9.080 3.482 -6.572 1.00 0.00 C ATOM 975 C LYS A 63 -9.721 3.964 -5.274 1.00 0.00 C ATOM 976 O LYS A 63 -10.808 3.518 -4.903 1.00 0.00 O ATOM 977 CB LYS A 63 -9.038 4.626 -7.588 1.00 0.00 C ATOM 978 CG LYS A 63 -10.372 5.330 -7.767 1.00 0.00 C ATOM 979 CD LYS A 63 -10.256 6.513 -8.714 1.00 0.00 C ATOM 980 CE LYS A 63 -10.392 6.079 -10.166 1.00 0.00 C ATOM 981 NZ LYS A 63 -11.767 5.595 -10.473 1.00 0.00 N ATOM 0 H LYS A 63 -10.823 2.406 -7.021 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.062 3.158 -6.355 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.292 5.355 -7.271 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.712 4.234 -8.551 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.108 4.625 -8.153 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.736 5.672 -6.799 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.027 7.246 -8.478 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.294 7.004 -8.568 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.147 6.916 -10.820 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.673 5.288 -10.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.944 5.678 -11.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.857 4.599 -10.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.461 6.169 -9.953 1.00 0.00 H new ATOM 995 N THR A 64 -9.042 4.878 -4.588 1.00 0.00 N ATOM 996 CA THR A 64 -9.546 5.420 -3.333 1.00 0.00 C ATOM 997 C THR A 64 -10.275 6.740 -3.556 1.00 0.00 C ATOM 998 O THR A 64 -10.273 7.282 -4.662 1.00 0.00 O ATOM 999 CB THR A 64 -8.406 5.642 -2.320 1.00 0.00 C ATOM 1000 OG1 THR A 64 -7.439 6.548 -2.862 1.00 0.00 O ATOM 1001 CG2 THR A 64 -7.733 4.324 -1.966 1.00 0.00 C ATOM 0 H THR A 64 -8.142 5.258 -4.881 1.00 0.00 H new ATOM 0 HA THR A 64 -10.244 4.686 -2.930 1.00 0.00 H new ATOM 0 HB THR A 64 -8.833 6.068 -1.412 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.931 6.960 -2.132 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.932 4.505 -1.250 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.466 3.648 -1.527 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.318 3.873 -2.868 1.00 0.00 H new ATOM 1009 N HIS A 65 -10.898 7.253 -2.500 1.00 0.00 N ATOM 1010 CA HIS A 65 -11.631 8.512 -2.582 1.00 0.00 C ATOM 1011 C HIS A 65 -10.701 9.658 -2.970 1.00 0.00 C ATOM 1012 O HIS A 65 -9.618 9.811 -2.405 1.00 0.00 O ATOM 1013 CB HIS A 65 -12.308 8.819 -1.246 1.00 0.00 C ATOM 1014 CG HIS A 65 -12.846 7.605 -0.554 1.00 0.00 C ATOM 1015 ND1 HIS A 65 -13.788 6.771 -1.119 1.00 0.00 N ATOM 1016 CD2 HIS A 65 -12.567 7.084 0.664 1.00 0.00 C ATOM 1017 CE1 HIS A 65 -14.066 5.791 -0.278 1.00 0.00 C ATOM 1018 NE2 HIS A 65 -13.339 5.958 0.812 1.00 0.00 N ATOM 0 H HIS A 65 -10.910 6.817 -1.578 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.394 8.410 -3.353 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -11.591 9.313 -0.590 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -13.124 9.522 -1.415 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -11.867 7.480 1.385 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -14.768 4.989 -0.452 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -13.349 5.350 1.631 1.00 0.00 H new ATOM 1026 N VAL A 66 -11.131 10.460 -3.939 1.00 0.00 N ATOM 1027 CA VAL A 66 -10.338 11.592 -4.402 1.00 0.00 C ATOM 1028 C VAL A 66 -10.630 12.842 -3.579 1.00 0.00 C ATOM 1029 O VAL A 66 -11.683 13.463 -3.728 1.00 0.00 O ATOM 1030 CB VAL A 66 -10.606 11.895 -5.888 1.00 0.00 C ATOM 1031 CG1 VAL A 66 -9.692 13.006 -6.381 1.00 0.00 C ATOM 1032 CG2 VAL A 66 -10.432 10.638 -6.727 1.00 0.00 C ATOM 0 H VAL A 66 -12.024 10.346 -4.418 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.291 11.316 -4.278 1.00 0.00 H new ATOM 0 HB VAL A 66 -11.637 12.234 -5.991 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.897 13.206 -7.433 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.871 13.910 -5.799 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.652 12.700 -6.265 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -10.625 10.870 -7.774 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -9.413 10.267 -6.619 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -11.133 9.875 -6.389 1.00 0.00 H new ATOM 1042 N SER A 67 -9.691 13.206 -2.712 1.00 0.00 N ATOM 1043 CA SER A 67 -9.850 14.380 -1.862 1.00 0.00 C ATOM 1044 C SER A 67 -9.390 15.641 -2.587 1.00 0.00 C ATOM 1045 O SER A 67 -8.550 15.584 -3.486 1.00 0.00 O ATOM 1046 CB SER A 67 -9.058 14.207 -0.564 1.00 0.00 C ATOM 1047 OG SER A 67 -9.605 13.172 0.233 1.00 0.00 O ATOM 0 H SER A 67 -8.812 12.705 -2.580 1.00 0.00 H new ATOM 0 HA SER A 67 -10.908 14.484 -1.623 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.018 13.980 -0.797 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.062 15.142 -0.004 1.00 0.00 H new ATOM 0 HG SER A 67 -9.080 13.080 1.056 1.00 0.00 H new ATOM 1053 N LYS A 68 -9.947 16.780 -2.191 1.00 0.00 N ATOM 1054 CA LYS A 68 -9.596 18.058 -2.800 1.00 0.00 C ATOM 1055 C LYS A 68 -9.095 19.043 -1.749 1.00 0.00 C ATOM 1056 O LYS A 68 -9.580 19.059 -0.617 1.00 0.00 O ATOM 1057 CB LYS A 68 -10.804 18.646 -3.532 1.00 0.00 C ATOM 1058 CG LYS A 68 -11.452 17.682 -4.510 1.00 0.00 C ATOM 1059 CD LYS A 68 -12.348 18.408 -5.499 1.00 0.00 C ATOM 1060 CE LYS A 68 -13.407 17.482 -6.077 1.00 0.00 C ATOM 1061 NZ LYS A 68 -14.546 17.289 -5.138 1.00 0.00 N ATOM 0 H LYS A 68 -10.645 16.845 -1.450 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.795 17.882 -3.518 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.546 18.959 -2.798 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.492 19.541 -4.070 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.679 17.137 -5.051 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.037 16.944 -3.961 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.831 19.250 -5.003 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.742 18.818 -6.307 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.776 17.894 -7.016 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.958 16.516 -6.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.246 16.652 -5.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -14.198 16.872 -4.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.991 18.208 -4.938 1.00 0.00 H new ATOM 1075 N LYS A 69 -8.123 19.865 -2.130 1.00 0.00 N ATOM 1076 CA LYS A 69 -7.559 20.856 -1.221 1.00 0.00 C ATOM 1077 C LYS A 69 -6.884 20.181 -0.031 1.00 0.00 C ATOM 1078 O LYS A 69 -7.046 20.608 1.112 1.00 0.00 O ATOM 1079 CB LYS A 69 -8.651 21.808 -0.729 1.00 0.00 C ATOM 1080 CG LYS A 69 -8.859 23.013 -1.630 1.00 0.00 C ATOM 1081 CD LYS A 69 -9.668 22.653 -2.865 1.00 0.00 C ATOM 1082 CE LYS A 69 -9.954 23.877 -3.721 1.00 0.00 C ATOM 1083 NZ LYS A 69 -10.865 23.560 -4.856 1.00 0.00 N ATOM 0 H LYS A 69 -7.709 19.864 -3.062 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.808 21.427 -1.767 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.589 21.260 -0.647 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.396 22.154 0.273 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.371 23.799 -1.075 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.891 23.414 -1.932 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.125 21.915 -3.454 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.608 22.191 -2.563 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.401 24.656 -3.103 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.017 24.276 -4.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.035 24.420 -5.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.428 22.835 -5.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.769 23.203 -4.486 1.00 0.00 H new ATOM 1097 N THR A 70 -6.125 19.125 -0.308 1.00 0.00 N ATOM 1098 CA THR A 70 -5.425 18.392 0.740 1.00 0.00 C ATOM 1099 C THR A 70 -4.194 17.684 0.186 1.00 0.00 C ATOM 1100 O THR A 70 -4.232 17.111 -0.904 1.00 0.00 O ATOM 1101 CB THR A 70 -6.345 17.352 1.407 1.00 0.00 C ATOM 1102 OG1 THR A 70 -5.813 16.975 2.683 1.00 0.00 O ATOM 1103 CG2 THR A 70 -6.493 16.118 0.530 1.00 0.00 C ATOM 0 H THR A 70 -5.979 18.758 -1.249 1.00 0.00 H new ATOM 0 HA THR A 70 -5.115 19.124 1.486 1.00 0.00 H new ATOM 0 HB THR A 70 -7.328 17.803 1.541 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.404 16.315 3.102 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.147 15.398 1.022 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.924 16.403 -0.430 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.514 15.667 0.368 1.00 0.00 H new ATOM 1111 N LEU A 71 -3.103 17.726 0.943 1.00 0.00 N ATOM 1112 CA LEU A 71 -1.859 17.087 0.529 1.00 0.00 C ATOM 1113 C LEU A 71 -1.757 15.674 1.095 1.00 0.00 C ATOM 1114 O LEU A 71 -1.244 14.768 0.441 1.00 0.00 O ATOM 1115 CB LEU A 71 -0.659 17.919 0.984 1.00 0.00 C ATOM 1116 CG LEU A 71 -0.154 18.967 -0.008 1.00 0.00 C ATOM 1117 CD1 LEU A 71 -1.318 19.602 -0.753 1.00 0.00 C ATOM 1118 CD2 LEU A 71 0.666 20.030 0.709 1.00 0.00 C ATOM 0 H LEU A 71 -3.055 18.196 1.847 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.857 17.023 -0.559 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.924 18.425 1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.162 17.240 1.214 1.00 0.00 H new ATOM 0 HG LEU A 71 0.489 18.470 -0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.939 20.345 -1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.864 18.833 -1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.987 20.084 -0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.017 20.767 -0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.047 20.523 1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.522 19.562 1.195 1.00 0.00 H new ATOM 1130 N ASN A 72 -2.250 15.495 2.317 1.00 0.00 N ATOM 1131 CA ASN A 72 -2.216 14.192 2.971 1.00 0.00 C ATOM 1132 C ASN A 72 -3.623 13.618 3.114 1.00 0.00 C ATOM 1133 O ASN A 72 -4.239 13.677 4.178 1.00 0.00 O ATOM 1134 CB ASN A 72 -1.558 14.307 4.347 1.00 0.00 C ATOM 1135 CG ASN A 72 -2.304 15.252 5.268 1.00 0.00 C ATOM 1136 OD1 ASN A 72 -3.081 16.093 4.816 1.00 0.00 O ATOM 1137 ND2 ASN A 72 -2.071 15.118 6.569 1.00 0.00 N ATOM 0 H ASN A 72 -2.677 16.235 2.873 1.00 0.00 H new ATOM 0 HA ASN A 72 -1.629 13.516 2.350 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.509 13.320 4.807 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -0.532 14.655 4.228 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -2.544 15.726 7.237 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.419 14.407 6.900 1.00 0.00 H new ATOM 1144 N PRO A 73 -4.144 13.049 2.017 1.00 0.00 N ATOM 1145 CA PRO A 73 -5.482 12.452 1.995 1.00 0.00 C ATOM 1146 C PRO A 73 -5.559 11.170 2.816 1.00 0.00 C ATOM 1147 O PRO A 73 -4.602 10.398 2.871 1.00 0.00 O ATOM 1148 CB PRO A 73 -5.712 12.152 0.511 1.00 0.00 C ATOM 1149 CG PRO A 73 -4.345 12.001 -0.061 1.00 0.00 C ATOM 1150 CD PRO A 73 -3.466 12.944 0.714 1.00 0.00 C ATOM 0 HA PRO A 73 -6.230 13.113 2.431 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.300 11.244 0.377 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.258 12.960 0.024 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.994 10.973 0.033 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.337 12.244 -1.123 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.453 12.555 0.818 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -3.386 13.914 0.223 1.00 0.00 H new ATOM 1158 N VAL A 74 -6.705 10.947 3.452 1.00 0.00 N ATOM 1159 CA VAL A 74 -6.907 9.757 4.270 1.00 0.00 C ATOM 1160 C VAL A 74 -8.094 8.942 3.769 1.00 0.00 C ATOM 1161 O VAL A 74 -9.152 9.491 3.460 1.00 0.00 O ATOM 1162 CB VAL A 74 -7.137 10.123 5.748 1.00 0.00 C ATOM 1163 CG1 VAL A 74 -7.389 8.872 6.575 1.00 0.00 C ATOM 1164 CG2 VAL A 74 -5.950 10.904 6.294 1.00 0.00 C ATOM 0 H VAL A 74 -7.508 11.575 3.416 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.999 9.160 4.189 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.021 10.757 5.814 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.549 9.151 7.617 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.272 8.358 6.197 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.526 8.210 6.505 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.129 11.155 7.340 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.048 10.297 6.216 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.822 11.821 5.718 1.00 0.00 H new ATOM 1174 N PHE A 75 -7.911 7.628 3.691 1.00 0.00 N ATOM 1175 CA PHE A 75 -8.967 6.735 3.227 1.00 0.00 C ATOM 1176 C PHE A 75 -9.110 5.533 4.156 1.00 0.00 C ATOM 1177 O PHE A 75 -10.218 5.062 4.414 1.00 0.00 O ATOM 1178 CB PHE A 75 -8.675 6.262 1.802 1.00 0.00 C ATOM 1179 CG PHE A 75 -8.100 7.333 0.920 1.00 0.00 C ATOM 1180 CD1 PHE A 75 -8.799 8.507 0.690 1.00 0.00 C ATOM 1181 CD2 PHE A 75 -6.862 7.167 0.322 1.00 0.00 C ATOM 1182 CE1 PHE A 75 -8.273 9.496 -0.121 1.00 0.00 C ATOM 1183 CE2 PHE A 75 -6.331 8.152 -0.489 1.00 0.00 C ATOM 1184 CZ PHE A 75 -7.038 9.317 -0.712 1.00 0.00 C ATOM 0 H PHE A 75 -7.042 7.158 3.943 1.00 0.00 H new ATOM 0 HA PHE A 75 -9.906 7.289 3.232 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -7.980 5.423 1.842 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.597 5.891 1.355 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -9.766 8.651 1.149 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.305 6.257 0.491 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -8.827 10.407 -0.292 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -5.364 8.011 -0.948 1.00 0.00 H new ATOM 0 HZ PHE A 75 -6.626 10.087 -1.348 1.00 0.00 H new ATOM 1194 N ASP A 76 -7.981 5.041 4.654 1.00 0.00 N ATOM 1195 CA ASP A 76 -7.979 3.894 5.554 1.00 0.00 C ATOM 1196 C ASP A 76 -8.925 2.807 5.053 1.00 0.00 C ATOM 1197 O ASP A 76 -9.488 2.049 5.842 1.00 0.00 O ATOM 1198 CB ASP A 76 -8.380 4.325 6.966 1.00 0.00 C ATOM 1199 CG ASP A 76 -7.831 3.398 8.033 1.00 0.00 C ATOM 1200 OD1 ASP A 76 -6.598 3.207 8.076 1.00 0.00 O ATOM 1201 OD2 ASP A 76 -8.635 2.864 8.825 1.00 0.00 O ATOM 0 H ASP A 76 -7.056 5.419 4.450 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.968 3.487 5.580 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -8.021 5.338 7.149 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.467 4.354 7.039 1.00 0.00 H new ATOM 1206 N GLN A 77 -9.095 2.739 3.736 1.00 0.00 N ATOM 1207 CA GLN A 77 -9.975 1.747 3.130 1.00 0.00 C ATOM 1208 C GLN A 77 -9.255 0.413 2.961 1.00 0.00 C ATOM 1209 O GLN A 77 -8.028 0.347 3.019 1.00 0.00 O ATOM 1210 CB GLN A 77 -10.480 2.243 1.774 1.00 0.00 C ATOM 1211 CG GLN A 77 -11.874 1.746 1.426 1.00 0.00 C ATOM 1212 CD GLN A 77 -12.485 2.495 0.258 1.00 0.00 C ATOM 1213 OE1 GLN A 77 -13.556 3.091 0.380 1.00 0.00 O ATOM 1214 NE2 GLN A 77 -11.806 2.469 -0.883 1.00 0.00 N ATOM 0 H GLN A 77 -8.635 3.359 3.069 1.00 0.00 H new ATOM 0 HA GLN A 77 -10.826 1.598 3.794 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -10.481 3.333 1.772 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -9.785 1.924 0.998 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -11.828 0.683 1.187 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -12.521 1.849 2.297 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -10.922 1.963 -0.939 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -12.168 2.955 -1.703 1.00 0.00 H new ATOM 1223 N SER A 78 -10.028 -0.648 2.753 1.00 0.00 N ATOM 1224 CA SER A 78 -9.465 -1.982 2.580 1.00 0.00 C ATOM 1225 C SER A 78 -9.924 -2.599 1.262 1.00 0.00 C ATOM 1226 O SER A 78 -11.121 -2.766 1.025 1.00 0.00 O ATOM 1227 CB SER A 78 -9.869 -2.885 3.747 1.00 0.00 C ATOM 1228 OG SER A 78 -9.475 -4.226 3.515 1.00 0.00 O ATOM 0 H SER A 78 -11.046 -0.610 2.700 1.00 0.00 H new ATOM 0 HA SER A 78 -8.379 -1.891 2.560 1.00 0.00 H new ATOM 0 HB2 SER A 78 -9.411 -2.522 4.667 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.949 -2.839 3.889 1.00 0.00 H new ATOM 0 HG SER A 78 -9.743 -4.782 4.276 1.00 0.00 H new ATOM 1234 N PHE A 79 -8.964 -2.936 0.408 1.00 0.00 N ATOM 1235 CA PHE A 79 -9.268 -3.534 -0.887 1.00 0.00 C ATOM 1236 C PHE A 79 -9.056 -5.045 -0.852 1.00 0.00 C ATOM 1237 O PHE A 79 -8.471 -5.579 0.090 1.00 0.00 O ATOM 1238 CB PHE A 79 -8.395 -2.911 -1.978 1.00 0.00 C ATOM 1239 CG PHE A 79 -8.601 -1.432 -2.139 1.00 0.00 C ATOM 1240 CD1 PHE A 79 -8.365 -0.567 -1.082 1.00 0.00 C ATOM 1241 CD2 PHE A 79 -9.030 -0.906 -3.346 1.00 0.00 C ATOM 1242 CE1 PHE A 79 -8.555 0.794 -1.227 1.00 0.00 C ATOM 1243 CE2 PHE A 79 -9.221 0.455 -3.497 1.00 0.00 C ATOM 1244 CZ PHE A 79 -8.982 1.306 -2.436 1.00 0.00 C ATOM 0 H PHE A 79 -7.969 -2.805 0.589 1.00 0.00 H new ATOM 0 HA PHE A 79 -10.316 -3.337 -1.113 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.347 -3.101 -1.746 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.606 -3.405 -2.927 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.029 -0.961 -0.134 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -9.218 -1.567 -4.179 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.370 1.457 -0.395 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -9.557 0.852 -4.444 1.00 0.00 H new ATOM 0 HZ PHE A 79 -9.129 2.370 -2.552 1.00 0.00 H new ATOM 1254 N ASP A 80 -9.538 -5.728 -1.884 1.00 0.00 N ATOM 1255 CA ASP A 80 -9.402 -7.177 -1.973 1.00 0.00 C ATOM 1256 C ASP A 80 -9.429 -7.637 -3.427 1.00 0.00 C ATOM 1257 O ASP A 80 -10.064 -7.011 -4.276 1.00 0.00 O ATOM 1258 CB ASP A 80 -10.519 -7.865 -1.187 1.00 0.00 C ATOM 1259 CG ASP A 80 -11.804 -7.060 -1.183 1.00 0.00 C ATOM 1260 OD1 ASP A 80 -11.828 -5.984 -0.551 1.00 0.00 O ATOM 1261 OD2 ASP A 80 -12.786 -7.508 -1.812 1.00 0.00 O ATOM 0 H ASP A 80 -10.027 -5.301 -2.671 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.440 -7.454 -1.541 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.711 -8.848 -1.618 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -10.191 -8.026 -0.160 1.00 0.00 H new ATOM 1266 N PHE A 81 -8.734 -8.735 -3.708 1.00 0.00 N ATOM 1267 CA PHE A 81 -8.676 -9.278 -5.060 1.00 0.00 C ATOM 1268 C PHE A 81 -8.483 -10.791 -5.030 1.00 0.00 C ATOM 1269 O PHE A 81 -7.551 -11.297 -4.405 1.00 0.00 O ATOM 1270 CB PHE A 81 -7.540 -8.623 -5.848 1.00 0.00 C ATOM 1271 CG PHE A 81 -7.533 -7.124 -5.755 1.00 0.00 C ATOM 1272 CD1 PHE A 81 -8.329 -6.361 -6.595 1.00 0.00 C ATOM 1273 CD2 PHE A 81 -6.730 -6.477 -4.830 1.00 0.00 C ATOM 1274 CE1 PHE A 81 -8.326 -4.981 -6.512 1.00 0.00 C ATOM 1275 CE2 PHE A 81 -6.723 -5.098 -4.742 1.00 0.00 C ATOM 1276 CZ PHE A 81 -7.521 -4.349 -5.585 1.00 0.00 C ATOM 0 H PHE A 81 -8.203 -9.266 -3.017 1.00 0.00 H new ATOM 0 HA PHE A 81 -9.623 -9.060 -5.553 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.587 -9.006 -5.483 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.620 -8.914 -6.895 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -8.959 -6.850 -7.323 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -6.102 -7.057 -4.170 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -8.952 -4.398 -7.171 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -6.094 -4.606 -4.015 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.515 -3.271 -5.519 1.00 0.00 H new ATOM 1286 N SER A 82 -9.371 -11.509 -5.711 1.00 0.00 N ATOM 1287 CA SER A 82 -9.302 -12.965 -5.759 1.00 0.00 C ATOM 1288 C SER A 82 -8.165 -13.424 -6.666 1.00 0.00 C ATOM 1289 O SER A 82 -8.350 -13.610 -7.869 1.00 0.00 O ATOM 1290 CB SER A 82 -10.629 -13.543 -6.254 1.00 0.00 C ATOM 1291 OG SER A 82 -10.993 -12.987 -7.506 1.00 0.00 O ATOM 0 H SER A 82 -10.146 -11.106 -6.237 1.00 0.00 H new ATOM 0 HA SER A 82 -9.109 -13.329 -4.750 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.546 -14.626 -6.344 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.412 -13.343 -5.522 1.00 0.00 H new ATOM 0 HG SER A 82 -10.221 -13.005 -8.109 1.00 0.00 H new ATOM 1297 N VAL A 83 -6.985 -13.606 -6.080 1.00 0.00 N ATOM 1298 CA VAL A 83 -5.817 -14.045 -6.834 1.00 0.00 C ATOM 1299 C VAL A 83 -4.949 -14.985 -6.004 1.00 0.00 C ATOM 1300 O VAL A 83 -4.688 -14.729 -4.829 1.00 0.00 O ATOM 1301 CB VAL A 83 -4.963 -12.848 -7.293 1.00 0.00 C ATOM 1302 CG1 VAL A 83 -4.528 -12.012 -6.099 1.00 0.00 C ATOM 1303 CG2 VAL A 83 -3.757 -13.328 -8.087 1.00 0.00 C ATOM 0 H VAL A 83 -6.813 -13.456 -5.086 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.187 -14.576 -7.711 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.571 -12.219 -7.943 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.926 -11.171 -6.444 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.408 -11.638 -5.577 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.938 -12.627 -5.420 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.165 -12.470 -8.404 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.146 -13.980 -7.462 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.095 -13.879 -8.965 1.00 0.00 H new ATOM 1313 N SER A 84 -4.505 -16.074 -6.624 1.00 0.00 N ATOM 1314 CA SER A 84 -3.669 -17.054 -5.942 1.00 0.00 C ATOM 1315 C SER A 84 -2.244 -16.535 -5.781 1.00 0.00 C ATOM 1316 O SER A 84 -1.752 -15.768 -6.610 1.00 0.00 O ATOM 1317 CB SER A 84 -3.659 -18.374 -6.717 1.00 0.00 C ATOM 1318 OG SER A 84 -4.878 -18.566 -7.413 1.00 0.00 O ATOM 0 H SER A 84 -4.711 -16.299 -7.597 1.00 0.00 H new ATOM 0 HA SER A 84 -4.088 -17.226 -4.951 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.829 -18.378 -7.423 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.496 -19.203 -6.028 1.00 0.00 H new ATOM 0 HG SER A 84 -4.721 -18.482 -8.377 1.00 0.00 H new ATOM 1324 N LEU A 85 -1.585 -16.957 -4.707 1.00 0.00 N ATOM 1325 CA LEU A 85 -0.215 -16.536 -4.435 1.00 0.00 C ATOM 1326 C LEU A 85 0.685 -16.800 -5.638 1.00 0.00 C ATOM 1327 O LEU A 85 1.496 -15.963 -6.033 1.00 0.00 O ATOM 1328 CB LEU A 85 0.329 -17.266 -3.206 1.00 0.00 C ATOM 1329 CG LEU A 85 1.851 -17.297 -3.064 1.00 0.00 C ATOM 1330 CD1 LEU A 85 2.362 -15.981 -2.499 1.00 0.00 C ATOM 1331 CD2 LEU A 85 2.281 -18.460 -2.182 1.00 0.00 C ATOM 0 H LEU A 85 -1.977 -17.590 -4.010 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.222 -15.464 -4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.090 -16.798 -2.315 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.035 -18.293 -3.227 1.00 0.00 H new ATOM 0 HG LEU A 85 2.286 -17.437 -4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.447 -16.022 -2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.086 -15.166 -3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.919 -15.810 -1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.367 -18.466 -2.092 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.836 -18.351 -1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.948 -19.397 -2.628 1.00 0.00 H new ATOM 1343 N PRO A 86 0.538 -17.991 -6.237 1.00 0.00 N ATOM 1344 CA PRO A 86 1.328 -18.392 -7.405 1.00 0.00 C ATOM 1345 C PRO A 86 1.359 -17.313 -8.482 1.00 0.00 C ATOM 1346 O PRO A 86 2.383 -17.100 -9.130 1.00 0.00 O ATOM 1347 CB PRO A 86 0.597 -19.637 -7.917 1.00 0.00 C ATOM 1348 CG PRO A 86 -0.088 -20.194 -6.717 1.00 0.00 C ATOM 1349 CD PRO A 86 -0.409 -19.038 -5.820 1.00 0.00 C ATOM 0 HA PRO A 86 2.373 -18.569 -7.149 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -0.119 -19.382 -8.699 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.294 -20.357 -8.345 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -0.996 -20.724 -7.003 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.553 -20.912 -6.206 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.442 -18.713 -5.942 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.278 -19.299 -4.770 1.00 0.00 H new ATOM 1357 N GLU A 87 0.231 -16.634 -8.666 1.00 0.00 N ATOM 1358 CA GLU A 87 0.131 -15.577 -9.665 1.00 0.00 C ATOM 1359 C GLU A 87 0.703 -14.267 -9.131 1.00 0.00 C ATOM 1360 O GLU A 87 1.755 -13.809 -9.576 1.00 0.00 O ATOM 1361 CB GLU A 87 -1.327 -15.376 -10.084 1.00 0.00 C ATOM 1362 CG GLU A 87 -1.829 -16.423 -11.063 1.00 0.00 C ATOM 1363 CD GLU A 87 -1.941 -17.801 -10.439 1.00 0.00 C ATOM 1364 OE1 GLU A 87 -2.871 -18.014 -9.634 1.00 0.00 O ATOM 1365 OE2 GLU A 87 -1.097 -18.665 -10.756 1.00 0.00 O ATOM 0 H GLU A 87 -0.626 -16.797 -8.137 1.00 0.00 H new ATOM 0 HA GLU A 87 0.713 -15.880 -10.535 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.957 -15.391 -9.195 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.434 -14.389 -10.534 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.805 -16.121 -11.444 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.154 -16.469 -11.917 1.00 0.00 H new ATOM 1372 N VAL A 88 0.002 -13.670 -8.172 1.00 0.00 N ATOM 1373 CA VAL A 88 0.439 -12.413 -7.575 1.00 0.00 C ATOM 1374 C VAL A 88 1.949 -12.402 -7.363 1.00 0.00 C ATOM 1375 O VAL A 88 2.576 -11.343 -7.355 1.00 0.00 O ATOM 1376 CB VAL A 88 -0.260 -12.159 -6.227 1.00 0.00 C ATOM 1377 CG1 VAL A 88 0.472 -12.875 -5.102 1.00 0.00 C ATOM 1378 CG2 VAL A 88 -0.353 -10.666 -5.949 1.00 0.00 C ATOM 0 H VAL A 88 -0.871 -14.036 -7.792 1.00 0.00 H new ATOM 0 HA VAL A 88 0.167 -11.620 -8.271 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.272 -12.559 -6.281 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.037 -12.684 -4.157 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.481 -13.947 -5.298 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.497 -12.508 -5.043 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.850 -10.504 -4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.649 -10.239 -5.914 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.925 -10.183 -6.741 1.00 0.00 H new ATOM 1388 N GLN A 89 2.525 -13.587 -7.190 1.00 0.00 N ATOM 1389 CA GLN A 89 3.962 -13.713 -6.977 1.00 0.00 C ATOM 1390 C GLN A 89 4.740 -13.153 -8.163 1.00 0.00 C ATOM 1391 O GLN A 89 5.634 -12.323 -7.996 1.00 0.00 O ATOM 1392 CB GLN A 89 4.339 -15.178 -6.750 1.00 0.00 C ATOM 1393 CG GLN A 89 4.224 -15.618 -5.300 1.00 0.00 C ATOM 1394 CD GLN A 89 4.348 -17.120 -5.134 1.00 0.00 C ATOM 1395 OE1 GLN A 89 4.096 -17.882 -6.068 1.00 0.00 O ATOM 1396 NE2 GLN A 89 4.738 -17.555 -3.941 1.00 0.00 N ATOM 0 H GLN A 89 2.019 -14.473 -7.193 1.00 0.00 H new ATOM 0 HA GLN A 89 4.224 -13.136 -6.090 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.697 -15.809 -7.364 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.362 -15.338 -7.089 1.00 0.00 H new ATOM 0 HG2 GLN A 89 4.999 -15.126 -4.713 1.00 0.00 H new ATOM 0 HG3 GLN A 89 3.265 -15.290 -4.900 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.937 -16.888 -3.195 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.839 -18.556 -3.771 1.00 0.00 H new ATOM 1405 N ARG A 90 4.394 -13.613 -9.361 1.00 0.00 N ATOM 1406 CA ARG A 90 5.061 -13.160 -10.576 1.00 0.00 C ATOM 1407 C ARG A 90 4.444 -11.859 -11.081 1.00 0.00 C ATOM 1408 O ARG A 90 4.777 -11.383 -12.166 1.00 0.00 O ATOM 1409 CB ARG A 90 4.974 -14.233 -11.662 1.00 0.00 C ATOM 1410 CG ARG A 90 3.571 -14.435 -12.209 1.00 0.00 C ATOM 1411 CD ARG A 90 3.437 -15.772 -12.921 1.00 0.00 C ATOM 1412 NE ARG A 90 3.855 -15.693 -14.318 1.00 0.00 N ATOM 1413 CZ ARG A 90 4.222 -16.748 -15.036 1.00 0.00 C ATOM 1414 NH1 ARG A 90 4.221 -17.957 -14.492 1.00 0.00 N ATOM 1415 NH2 ARG A 90 4.590 -16.595 -16.302 1.00 0.00 N ATOM 0 H ARG A 90 3.656 -14.299 -9.516 1.00 0.00 H new ATOM 0 HA ARG A 90 6.109 -12.978 -10.339 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.639 -13.962 -12.482 1.00 0.00 H new ATOM 0 HB3 ARG A 90 5.336 -15.178 -11.257 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.850 -14.382 -11.393 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.329 -13.628 -12.900 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.039 -16.520 -12.404 1.00 0.00 H new ATOM 0 HD3 ARG A 90 2.401 -16.107 -12.871 1.00 0.00 H new ATOM 0 HE ARG A 90 3.866 -14.777 -14.767 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.938 -18.078 -13.520 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.503 -18.766 -15.046 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.591 -15.666 -16.724 1.00 0.00 H new ATOM 0 HH22 ARG A 90 4.872 -17.406 -16.853 1.00 0.00 H new ATOM 1429 N ARG A 91 3.543 -11.290 -10.287 1.00 0.00 N ATOM 1430 CA ARG A 91 2.878 -10.045 -10.655 1.00 0.00 C ATOM 1431 C ARG A 91 3.349 -8.895 -9.770 1.00 0.00 C ATOM 1432 O ARG A 91 3.968 -9.112 -8.728 1.00 0.00 O ATOM 1433 CB ARG A 91 1.360 -10.201 -10.543 1.00 0.00 C ATOM 1434 CG ARG A 91 0.799 -11.327 -11.395 1.00 0.00 C ATOM 1435 CD ARG A 91 -0.721 -11.353 -11.354 1.00 0.00 C ATOM 1436 NE ARG A 91 -1.311 -10.568 -12.436 1.00 0.00 N ATOM 1437 CZ ARG A 91 -1.434 -11.010 -13.682 1.00 0.00 C ATOM 1438 NH1 ARG A 91 -1.010 -12.225 -14.003 1.00 0.00 N ATOM 1439 NH2 ARG A 91 -1.981 -10.237 -14.611 1.00 0.00 N ATOM 0 H ARG A 91 3.257 -11.671 -9.385 1.00 0.00 H new ATOM 0 HA ARG A 91 3.138 -9.815 -11.688 1.00 0.00 H new ATOM 0 HB2 ARG A 91 1.098 -10.380 -9.500 1.00 0.00 H new ATOM 0 HB3 ARG A 91 0.885 -9.265 -10.835 1.00 0.00 H new ATOM 0 HG2 ARG A 91 1.134 -11.207 -12.425 1.00 0.00 H new ATOM 0 HG3 ARG A 91 1.190 -12.281 -11.042 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.068 -12.384 -11.423 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.065 -10.965 -10.395 1.00 0.00 H new ATOM 0 HE ARG A 91 -1.647 -9.629 -12.222 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -0.588 -12.822 -13.292 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -1.106 -12.562 -14.961 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -2.308 -9.302 -14.369 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -2.075 -10.578 -15.568 1.00 0.00 H new ATOM 1453 N THR A 92 3.051 -7.670 -10.191 1.00 0.00 N ATOM 1454 CA THR A 92 3.445 -6.486 -9.439 1.00 0.00 C ATOM 1455 C THR A 92 2.247 -5.581 -9.172 1.00 0.00 C ATOM 1456 O THR A 92 1.341 -5.473 -9.999 1.00 0.00 O ATOM 1457 CB THR A 92 4.526 -5.681 -10.184 1.00 0.00 C ATOM 1458 OG1 THR A 92 5.557 -6.559 -10.649 1.00 0.00 O ATOM 1459 CG2 THR A 92 5.129 -4.618 -9.278 1.00 0.00 C ATOM 0 H THR A 92 2.537 -7.472 -11.050 1.00 0.00 H new ATOM 0 HA THR A 92 3.852 -6.835 -8.490 1.00 0.00 H new ATOM 0 HB THR A 92 4.058 -5.187 -11.036 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.240 -6.040 -11.123 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.890 -4.062 -9.826 1.00 0.00 H new ATOM 0 HG22 THR A 92 4.347 -3.934 -8.949 1.00 0.00 H new ATOM 0 HG23 THR A 92 5.583 -5.095 -8.409 1.00 0.00 H new ATOM 1467 N LEU A 93 2.249 -4.932 -8.013 1.00 0.00 N ATOM 1468 CA LEU A 93 1.163 -4.034 -7.636 1.00 0.00 C ATOM 1469 C LEU A 93 1.452 -2.608 -8.093 1.00 0.00 C ATOM 1470 O LEU A 93 2.338 -1.942 -7.558 1.00 0.00 O ATOM 1471 CB LEU A 93 0.951 -4.064 -6.122 1.00 0.00 C ATOM 1472 CG LEU A 93 -0.453 -3.706 -5.633 1.00 0.00 C ATOM 1473 CD1 LEU A 93 -1.364 -4.922 -5.688 1.00 0.00 C ATOM 1474 CD2 LEU A 93 -0.397 -3.142 -4.220 1.00 0.00 C ATOM 0 H LEU A 93 2.991 -5.011 -7.318 1.00 0.00 H new ATOM 0 HA LEU A 93 0.254 -4.377 -8.130 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.196 -5.063 -5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.660 -3.376 -5.662 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.863 -2.941 -6.293 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.359 -4.648 -5.336 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.429 -5.282 -6.715 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.959 -5.709 -5.052 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.405 -2.893 -3.888 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.033 -3.885 -3.548 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.221 -2.244 -4.211 1.00 0.00 H new ATOM 1486 N ASP A 94 0.697 -2.145 -9.083 1.00 0.00 N ATOM 1487 CA ASP A 94 0.869 -0.796 -9.609 1.00 0.00 C ATOM 1488 C ASP A 94 0.237 0.235 -8.680 1.00 0.00 C ATOM 1489 O ASP A 94 -0.986 0.370 -8.624 1.00 0.00 O ATOM 1490 CB ASP A 94 0.254 -0.687 -11.005 1.00 0.00 C ATOM 1491 CG ASP A 94 0.087 0.751 -11.454 1.00 0.00 C ATOM 1492 OD1 ASP A 94 1.099 1.373 -11.842 1.00 0.00 O ATOM 1493 OD2 ASP A 94 -1.055 1.255 -11.419 1.00 0.00 O ATOM 0 H ASP A 94 -0.040 -2.684 -9.537 1.00 0.00 H new ATOM 0 HA ASP A 94 1.938 -0.593 -9.674 1.00 0.00 H new ATOM 0 HB2 ASP A 94 0.885 -1.216 -11.719 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.717 -1.181 -11.010 1.00 0.00 H new ATOM 1498 N VAL A 95 1.078 0.961 -7.949 1.00 0.00 N ATOM 1499 CA VAL A 95 0.601 1.980 -7.022 1.00 0.00 C ATOM 1500 C VAL A 95 1.145 3.356 -7.391 1.00 0.00 C ATOM 1501 O VAL A 95 2.305 3.668 -7.124 1.00 0.00 O ATOM 1502 CB VAL A 95 1.005 1.653 -5.572 1.00 0.00 C ATOM 1503 CG1 VAL A 95 0.291 2.576 -4.597 1.00 0.00 C ATOM 1504 CG2 VAL A 95 0.709 0.195 -5.254 1.00 0.00 C ATOM 0 H VAL A 95 2.093 0.862 -7.981 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.487 1.990 -7.095 1.00 0.00 H new ATOM 0 HB VAL A 95 2.078 1.814 -5.466 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.589 2.330 -3.578 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.558 3.610 -4.813 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.787 2.450 -4.700 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.000 -0.020 -4.226 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.357 0.005 -5.376 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.272 -0.447 -5.932 1.00 0.00 H new ATOM 1514 N ALA A 96 0.298 4.176 -8.005 1.00 0.00 N ATOM 1515 CA ALA A 96 0.693 5.520 -8.408 1.00 0.00 C ATOM 1516 C ALA A 96 -0.232 6.569 -7.800 1.00 0.00 C ATOM 1517 O ALA A 96 -1.455 6.439 -7.852 1.00 0.00 O ATOM 1518 CB ALA A 96 0.699 5.635 -9.925 1.00 0.00 C ATOM 0 H ALA A 96 -0.666 3.933 -8.234 1.00 0.00 H new ATOM 0 HA ALA A 96 1.701 5.703 -8.036 1.00 0.00 H new ATOM 0 HB1 ALA A 96 0.996 6.644 -10.212 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.405 4.917 -10.342 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.299 5.427 -10.310 1.00 0.00 H new ATOM 1524 N VAL A 97 0.360 7.610 -7.222 1.00 0.00 N ATOM 1525 CA VAL A 97 -0.410 8.682 -6.604 1.00 0.00 C ATOM 1526 C VAL A 97 -0.245 9.989 -7.370 1.00 0.00 C ATOM 1527 O VAL A 97 0.790 10.649 -7.278 1.00 0.00 O ATOM 1528 CB VAL A 97 0.009 8.901 -5.138 1.00 0.00 C ATOM 1529 CG1 VAL A 97 -0.809 10.019 -4.510 1.00 0.00 C ATOM 1530 CG2 VAL A 97 -0.136 7.612 -4.344 1.00 0.00 C ATOM 0 H VAL A 97 1.371 7.733 -7.169 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.456 8.378 -6.633 1.00 0.00 H new ATOM 0 HB VAL A 97 1.058 9.196 -5.119 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.499 10.159 -3.474 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.649 10.943 -5.065 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.867 9.757 -4.540 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.164 7.785 -3.311 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.175 7.284 -4.370 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.499 6.842 -4.782 1.00 0.00 H new ATOM 1540 N LYS A 98 -1.273 10.360 -8.126 1.00 0.00 N ATOM 1541 CA LYS A 98 -1.244 11.590 -8.908 1.00 0.00 C ATOM 1542 C LYS A 98 -2.562 12.347 -8.779 1.00 0.00 C ATOM 1543 O LYS A 98 -3.523 11.844 -8.200 1.00 0.00 O ATOM 1544 CB LYS A 98 -0.965 11.277 -10.379 1.00 0.00 C ATOM 1545 CG LYS A 98 -1.888 10.221 -10.962 1.00 0.00 C ATOM 1546 CD LYS A 98 -1.316 8.824 -10.789 1.00 0.00 C ATOM 1547 CE LYS A 98 -1.774 7.893 -11.902 1.00 0.00 C ATOM 1548 NZ LYS A 98 -1.106 8.204 -13.196 1.00 0.00 N ATOM 0 H LYS A 98 -2.137 9.826 -8.214 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.444 12.220 -8.519 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.061 12.193 -10.961 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.067 10.942 -10.481 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.862 10.279 -10.476 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.048 10.421 -12.021 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.227 8.874 -10.780 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.625 8.420 -9.825 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.562 6.861 -11.623 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.854 7.975 -12.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.197 7.391 -13.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.555 9.037 -13.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.099 8.401 -13.028 1.00 0.00 H new ATOM 1562 N ASN A 99 -2.599 13.559 -9.325 1.00 0.00 N ATOM 1563 CA ASN A 99 -3.800 14.385 -9.272 1.00 0.00 C ATOM 1564 C ASN A 99 -4.789 13.976 -10.359 1.00 0.00 C ATOM 1565 O ASN A 99 -4.417 13.806 -11.520 1.00 0.00 O ATOM 1566 CB ASN A 99 -3.435 15.862 -9.428 1.00 0.00 C ATOM 1567 CG ASN A 99 -4.638 16.722 -9.764 1.00 0.00 C ATOM 1568 OD1 ASN A 99 -5.780 16.269 -9.686 1.00 0.00 O ATOM 1569 ND2 ASN A 99 -4.386 17.971 -10.140 1.00 0.00 N ATOM 0 H ASN A 99 -1.811 13.990 -9.809 1.00 0.00 H new ATOM 0 HA ASN A 99 -4.272 14.235 -8.301 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -2.982 16.221 -8.504 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -2.686 15.967 -10.213 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -5.155 18.597 -10.378 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -3.423 18.304 -10.190 1.00 0.00 H new ATOM 1714 N LEU A 110 1.501 13.409 -13.436 1.00 0.00 N ATOM 1715 CA LEU A 110 1.864 12.452 -12.397 1.00 0.00 C ATOM 1716 C LEU A 110 2.703 13.118 -11.311 1.00 0.00 C ATOM 1717 O LEU A 110 3.693 13.791 -11.602 1.00 0.00 O ATOM 1718 CB LEU A 110 2.634 11.278 -13.004 1.00 0.00 C ATOM 1719 CG LEU A 110 3.403 10.398 -12.018 1.00 0.00 C ATOM 1720 CD1 LEU A 110 2.502 9.306 -11.462 1.00 0.00 C ATOM 1721 CD2 LEU A 110 4.628 9.792 -12.687 1.00 0.00 C ATOM 0 HA LEU A 110 0.945 12.081 -11.943 1.00 0.00 H new ATOM 0 HB2 LEU A 110 1.929 10.649 -13.548 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.340 11.672 -13.736 1.00 0.00 H new ATOM 0 HG LEU A 110 3.738 11.021 -11.189 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.066 8.690 -10.762 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.656 9.760 -10.945 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.136 8.685 -12.280 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.163 9.169 -11.970 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.315 9.183 -13.535 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.284 10.590 -13.035 1.00 0.00 H new ATOM 1733 N LEU A 111 2.302 12.926 -10.059 1.00 0.00 N ATOM 1734 CA LEU A 111 3.018 13.506 -8.929 1.00 0.00 C ATOM 1735 C LEU A 111 4.064 12.536 -8.391 1.00 0.00 C ATOM 1736 O LEU A 111 5.196 12.923 -8.104 1.00 0.00 O ATOM 1737 CB LEU A 111 2.037 13.884 -7.818 1.00 0.00 C ATOM 1738 CG LEU A 111 0.787 14.647 -8.257 1.00 0.00 C ATOM 1739 CD1 LEU A 111 -0.227 14.707 -7.125 1.00 0.00 C ATOM 1740 CD2 LEU A 111 1.154 16.049 -8.721 1.00 0.00 C ATOM 0 H LEU A 111 1.485 12.373 -9.801 1.00 0.00 H new ATOM 0 HA LEU A 111 3.528 14.405 -9.276 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.722 12.971 -7.313 1.00 0.00 H new ATOM 0 HB3 LEU A 111 2.568 14.489 -7.082 1.00 0.00 H new ATOM 0 HG LEU A 111 0.335 14.115 -9.094 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -1.110 15.254 -7.456 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.513 13.695 -6.839 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.214 15.215 -6.268 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.252 16.578 -9.030 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.630 16.590 -7.903 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.843 15.985 -9.563 1.00 0.00 H new ATOM 1752 N GLY A 112 3.678 11.270 -8.258 1.00 0.00 N ATOM 1753 CA GLY A 112 4.595 10.263 -7.757 1.00 0.00 C ATOM 1754 C GLY A 112 4.022 8.862 -7.844 1.00 0.00 C ATOM 1755 O GLY A 112 2.806 8.676 -7.781 1.00 0.00 O ATOM 0 H GLY A 112 2.746 10.924 -8.488 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.524 10.308 -8.325 1.00 0.00 H new ATOM 0 HA3 GLY A 112 4.844 10.487 -6.720 1.00 0.00 H new ATOM 1759 N LYS A 113 4.898 7.875 -7.992 1.00 0.00 N ATOM 1760 CA LYS A 113 4.473 6.483 -8.088 1.00 0.00 C ATOM 1761 C LYS A 113 5.543 5.548 -7.532 1.00 0.00 C ATOM 1762 O LYS A 113 6.707 5.927 -7.405 1.00 0.00 O ATOM 1763 CB LYS A 113 4.171 6.120 -9.544 1.00 0.00 C ATOM 1764 CG LYS A 113 5.275 6.512 -10.510 1.00 0.00 C ATOM 1765 CD LYS A 113 4.951 6.082 -11.931 1.00 0.00 C ATOM 1766 CE LYS A 113 5.192 4.593 -12.131 1.00 0.00 C ATOM 1767 NZ LYS A 113 6.644 4.262 -12.137 1.00 0.00 N ATOM 0 H LYS A 113 5.907 8.013 -8.048 1.00 0.00 H new ATOM 0 HA LYS A 113 3.567 6.364 -7.494 1.00 0.00 H new ATOM 0 HB2 LYS A 113 4.003 5.045 -9.614 1.00 0.00 H new ATOM 0 HB3 LYS A 113 3.245 6.608 -9.847 1.00 0.00 H new ATOM 0 HG2 LYS A 113 5.420 7.592 -10.480 1.00 0.00 H new ATOM 0 HG3 LYS A 113 6.214 6.056 -10.196 1.00 0.00 H new ATOM 0 HD2 LYS A 113 3.910 6.317 -12.155 1.00 0.00 H new ATOM 0 HD3 LYS A 113 5.564 6.648 -12.632 1.00 0.00 H new ATOM 0 HE2 LYS A 113 4.696 4.035 -11.337 1.00 0.00 H new ATOM 0 HE3 LYS A 113 4.743 4.276 -13.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 6.923 3.939 -13.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 7.194 5.108 -11.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 6.831 3.508 -11.446 1.00 0.00 H new ATOM 1781 N VAL A 114 5.140 4.325 -7.202 1.00 0.00 N ATOM 1782 CA VAL A 114 6.064 3.335 -6.662 1.00 0.00 C ATOM 1783 C VAL A 114 5.523 1.922 -6.843 1.00 0.00 C ATOM 1784 O VAL A 114 4.370 1.640 -6.516 1.00 0.00 O ATOM 1785 CB VAL A 114 6.338 3.581 -5.166 1.00 0.00 C ATOM 1786 CG1 VAL A 114 5.060 3.425 -4.357 1.00 0.00 C ATOM 1787 CG2 VAL A 114 7.418 2.635 -4.661 1.00 0.00 C ATOM 0 H VAL A 114 4.179 3.996 -7.299 1.00 0.00 H new ATOM 0 HA VAL A 114 6.997 3.437 -7.216 1.00 0.00 H new ATOM 0 HB VAL A 114 6.695 4.603 -5.042 1.00 0.00 H new ATOM 0 HG11 VAL A 114 5.273 3.602 -3.303 1.00 0.00 H new ATOM 0 HG12 VAL A 114 4.320 4.146 -4.704 1.00 0.00 H new ATOM 0 HG13 VAL A 114 4.670 2.415 -4.484 1.00 0.00 H new ATOM 0 HG21 VAL A 114 7.600 2.822 -3.603 1.00 0.00 H new ATOM 0 HG22 VAL A 114 7.091 1.604 -4.797 1.00 0.00 H new ATOM 0 HG23 VAL A 114 8.338 2.801 -5.222 1.00 0.00 H new ATOM 1797 N LEU A 115 6.363 1.035 -7.366 1.00 0.00 N ATOM 1798 CA LEU A 115 5.970 -0.352 -7.591 1.00 0.00 C ATOM 1799 C LEU A 115 6.443 -1.244 -6.448 1.00 0.00 C ATOM 1800 O LEU A 115 7.477 -0.985 -5.832 1.00 0.00 O ATOM 1801 CB LEU A 115 6.541 -0.856 -8.917 1.00 0.00 C ATOM 1802 CG LEU A 115 5.954 -0.229 -10.183 1.00 0.00 C ATOM 1803 CD1 LEU A 115 4.459 -0.494 -10.266 1.00 0.00 C ATOM 1804 CD2 LEU A 115 6.235 1.266 -10.217 1.00 0.00 C ATOM 0 H LEU A 115 7.321 1.252 -7.642 1.00 0.00 H new ATOM 0 HA LEU A 115 4.882 -0.393 -7.633 1.00 0.00 H new ATOM 0 HB2 LEU A 115 7.617 -0.683 -8.915 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.392 -1.935 -8.967 1.00 0.00 H new ATOM 0 HG LEU A 115 6.432 -0.688 -11.048 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.059 -0.041 -11.173 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.281 -1.569 -10.289 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.964 -0.063 -9.396 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.810 1.695 -11.124 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.784 1.741 -9.345 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.312 1.434 -10.206 1.00 0.00 H new ATOM 1816 N VAL A 116 5.681 -2.297 -6.171 1.00 0.00 N ATOM 1817 CA VAL A 116 6.024 -3.230 -5.105 1.00 0.00 C ATOM 1818 C VAL A 116 6.005 -4.669 -5.607 1.00 0.00 C ATOM 1819 O VAL A 116 5.082 -5.081 -6.309 1.00 0.00 O ATOM 1820 CB VAL A 116 5.056 -3.101 -3.913 1.00 0.00 C ATOM 1821 CG1 VAL A 116 5.411 -4.104 -2.826 1.00 0.00 C ATOM 1822 CG2 VAL A 116 5.071 -1.681 -3.366 1.00 0.00 C ATOM 0 H VAL A 116 4.821 -2.525 -6.671 1.00 0.00 H new ATOM 0 HA VAL A 116 7.031 -2.977 -4.775 1.00 0.00 H new ATOM 0 HB VAL A 116 4.047 -3.321 -4.261 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.717 -3.998 -1.992 1.00 0.00 H new ATOM 0 HG12 VAL A 116 5.344 -5.115 -3.228 1.00 0.00 H new ATOM 0 HG13 VAL A 116 6.427 -3.919 -2.478 1.00 0.00 H new ATOM 0 HG21 VAL A 116 4.382 -1.608 -2.525 1.00 0.00 H new ATOM 0 HG22 VAL A 116 6.078 -1.430 -3.033 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.764 -0.987 -4.148 1.00 0.00 H new ATOM 1832 N ALA A 117 7.031 -5.431 -5.242 1.00 0.00 N ATOM 1833 CA ALA A 117 7.132 -6.825 -5.653 1.00 0.00 C ATOM 1834 C ALA A 117 6.407 -7.741 -4.672 1.00 0.00 C ATOM 1835 O ALA A 117 6.817 -7.883 -3.520 1.00 0.00 O ATOM 1836 CB ALA A 117 8.592 -7.235 -5.779 1.00 0.00 C ATOM 0 H ALA A 117 7.804 -5.105 -4.662 1.00 0.00 H new ATOM 0 HA ALA A 117 6.652 -6.926 -6.627 1.00 0.00 H new ATOM 0 HB1 ALA A 117 8.651 -8.279 -6.087 1.00 0.00 H new ATOM 0 HB2 ALA A 117 9.083 -6.609 -6.524 1.00 0.00 H new ATOM 0 HB3 ALA A 117 9.089 -7.112 -4.817 1.00 0.00 H new ATOM 1842 N LEU A 118 5.326 -8.359 -5.136 1.00 0.00 N ATOM 1843 CA LEU A 118 4.542 -9.261 -4.299 1.00 0.00 C ATOM 1844 C LEU A 118 5.058 -10.692 -4.409 1.00 0.00 C ATOM 1845 O LEU A 118 4.334 -11.646 -4.127 1.00 0.00 O ATOM 1846 CB LEU A 118 3.067 -9.206 -4.698 1.00 0.00 C ATOM 1847 CG LEU A 118 2.520 -7.824 -5.058 1.00 0.00 C ATOM 1848 CD1 LEU A 118 1.092 -7.932 -5.571 1.00 0.00 C ATOM 1849 CD2 LEU A 118 2.588 -6.893 -3.856 1.00 0.00 C ATOM 0 H LEU A 118 4.973 -8.252 -6.087 1.00 0.00 H new ATOM 0 HA LEU A 118 4.644 -8.937 -3.263 1.00 0.00 H new ATOM 0 HB2 LEU A 118 2.917 -9.868 -5.551 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.474 -9.607 -3.876 1.00 0.00 H new ATOM 0 HG LEU A 118 3.139 -7.405 -5.852 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.720 -6.939 -5.822 1.00 0.00 H new ATOM 0 HD12 LEU A 118 1.071 -8.563 -6.460 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.460 -8.372 -4.799 1.00 0.00 H new ATOM 0 HD21 LEU A 118 2.195 -5.914 -4.131 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.994 -7.307 -3.041 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.624 -6.790 -3.534 1.00 0.00 H new ATOM 1861 N ALA A 119 6.314 -10.833 -4.820 1.00 0.00 N ATOM 1862 CA ALA A 119 6.927 -12.148 -4.964 1.00 0.00 C ATOM 1863 C ALA A 119 7.541 -12.613 -3.648 1.00 0.00 C ATOM 1864 O ALA A 119 8.509 -13.375 -3.639 1.00 0.00 O ATOM 1865 CB ALA A 119 7.982 -12.121 -6.060 1.00 0.00 C ATOM 0 H ALA A 119 6.927 -10.053 -5.059 1.00 0.00 H new ATOM 0 HA ALA A 119 6.148 -12.857 -5.243 1.00 0.00 H new ATOM 0 HB1 ALA A 119 8.432 -13.109 -6.157 1.00 0.00 H new ATOM 0 HB2 ALA A 119 7.518 -11.839 -7.005 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.754 -11.395 -5.804 1.00 0.00 H new ATOM 1871 N SER A 120 6.974 -12.151 -2.539 1.00 0.00 N ATOM 1872 CA SER A 120 7.469 -12.517 -1.217 1.00 0.00 C ATOM 1873 C SER A 120 6.752 -13.757 -0.693 1.00 0.00 C ATOM 1874 O SER A 120 5.797 -14.239 -1.301 1.00 0.00 O ATOM 1875 CB SER A 120 7.282 -11.355 -0.239 1.00 0.00 C ATOM 1876 OG SER A 120 8.301 -10.383 -0.402 1.00 0.00 O ATOM 0 H SER A 120 6.171 -11.522 -2.529 1.00 0.00 H new ATOM 0 HA SER A 120 8.532 -12.742 -1.304 1.00 0.00 H new ATOM 0 HB2 SER A 120 6.307 -10.895 -0.398 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.294 -11.731 0.784 1.00 0.00 H new ATOM 0 HG SER A 120 8.159 -9.650 0.233 1.00 0.00 H new ATOM 1882 N GLU A 121 7.221 -14.270 0.441 1.00 0.00 N ATOM 1883 CA GLU A 121 6.626 -15.455 1.047 1.00 0.00 C ATOM 1884 C GLU A 121 5.894 -15.097 2.337 1.00 0.00 C ATOM 1885 O GLU A 121 4.932 -15.761 2.722 1.00 0.00 O ATOM 1886 CB GLU A 121 7.702 -16.504 1.332 1.00 0.00 C ATOM 1887 CG GLU A 121 7.164 -17.763 1.992 1.00 0.00 C ATOM 1888 CD GLU A 121 6.493 -18.698 1.005 1.00 0.00 C ATOM 1889 OE1 GLU A 121 5.974 -18.207 -0.019 1.00 0.00 O ATOM 1890 OE2 GLU A 121 6.487 -19.921 1.257 1.00 0.00 O ATOM 0 H GLU A 121 8.011 -13.883 0.958 1.00 0.00 H new ATOM 0 HA GLU A 121 5.904 -15.868 0.343 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.191 -16.775 0.396 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.465 -16.065 1.974 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.982 -18.288 2.485 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.450 -17.486 2.767 1.00 0.00 H new ATOM 1897 N GLU A 122 6.359 -14.043 3.002 1.00 0.00 N ATOM 1898 CA GLU A 122 5.750 -13.598 4.250 1.00 0.00 C ATOM 1899 C GLU A 122 4.531 -12.722 3.978 1.00 0.00 C ATOM 1900 O GLU A 122 4.393 -11.637 4.545 1.00 0.00 O ATOM 1901 CB GLU A 122 6.768 -12.827 5.093 1.00 0.00 C ATOM 1902 CG GLU A 122 7.799 -13.717 5.766 1.00 0.00 C ATOM 1903 CD GLU A 122 7.281 -14.345 7.046 1.00 0.00 C ATOM 1904 OE1 GLU A 122 6.293 -15.105 6.975 1.00 0.00 O ATOM 1905 OE2 GLU A 122 7.864 -14.077 8.117 1.00 0.00 O ATOM 0 H GLU A 122 7.155 -13.482 2.697 1.00 0.00 H new ATOM 0 HA GLU A 122 5.426 -14.480 4.802 1.00 0.00 H new ATOM 0 HB2 GLU A 122 7.282 -12.106 4.457 1.00 0.00 H new ATOM 0 HB3 GLU A 122 6.238 -12.258 5.857 1.00 0.00 H new ATOM 0 HG2 GLU A 122 8.100 -14.505 5.075 1.00 0.00 H new ATOM 0 HG3 GLU A 122 8.690 -13.130 5.988 1.00 0.00 H new ATOM 1912 N LEU A 123 3.649 -13.199 3.107 1.00 0.00 N ATOM 1913 CA LEU A 123 2.441 -12.460 2.758 1.00 0.00 C ATOM 1914 C LEU A 123 1.302 -12.796 3.715 1.00 0.00 C ATOM 1915 O LEU A 123 0.631 -11.905 4.235 1.00 0.00 O ATOM 1916 CB LEU A 123 2.024 -12.775 1.321 1.00 0.00 C ATOM 1917 CG LEU A 123 2.626 -11.881 0.236 1.00 0.00 C ATOM 1918 CD1 LEU A 123 2.344 -12.453 -1.145 1.00 0.00 C ATOM 1919 CD2 LEU A 123 2.082 -10.465 0.349 1.00 0.00 C ATOM 0 H LEU A 123 3.748 -14.095 2.629 1.00 0.00 H new ATOM 0 HA LEU A 123 2.659 -11.395 2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 123 2.294 -13.808 1.104 1.00 0.00 H new ATOM 0 HB3 LEU A 123 0.938 -12.709 1.256 1.00 0.00 H new ATOM 0 HG LEU A 123 3.706 -11.847 0.379 1.00 0.00 H new ATOM 0 HD11 LEU A 123 2.780 -11.803 -1.904 1.00 0.00 H new ATOM 0 HD12 LEU A 123 2.783 -13.448 -1.223 1.00 0.00 H new ATOM 0 HD13 LEU A 123 1.267 -12.518 -1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 123 2.521 -9.843 -0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 123 0.998 -10.481 0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 123 2.336 -10.055 1.326 1.00 0.00 H new ATOM 1931 N ALA A 124 1.090 -14.088 3.945 1.00 0.00 N ATOM 1932 CA ALA A 124 0.036 -14.542 4.843 1.00 0.00 C ATOM 1933 C ALA A 124 0.044 -13.748 6.145 1.00 0.00 C ATOM 1934 O ALA A 124 -1.009 -13.430 6.697 1.00 0.00 O ATOM 1935 CB ALA A 124 0.189 -16.029 5.128 1.00 0.00 C ATOM 0 H ALA A 124 1.635 -14.839 3.521 1.00 0.00 H new ATOM 0 HA ALA A 124 -0.923 -14.374 4.352 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -0.605 -16.354 5.800 1.00 0.00 H new ATOM 0 HB2 ALA A 124 0.125 -16.587 4.194 1.00 0.00 H new ATOM 0 HB3 ALA A 124 1.157 -16.212 5.595 1.00 0.00 H new ATOM 1941 N LYS A 125 1.239 -13.431 6.632 1.00 0.00 N ATOM 1942 CA LYS A 125 1.386 -12.674 7.869 1.00 0.00 C ATOM 1943 C LYS A 125 1.107 -11.193 7.637 1.00 0.00 C ATOM 1944 O LYS A 125 0.521 -10.521 8.484 1.00 0.00 O ATOM 1945 CB LYS A 125 2.795 -12.855 8.438 1.00 0.00 C ATOM 1946 CG LYS A 125 2.939 -14.077 9.329 1.00 0.00 C ATOM 1947 CD LYS A 125 4.395 -14.357 9.660 1.00 0.00 C ATOM 1948 CE LYS A 125 4.595 -15.790 10.128 1.00 0.00 C ATOM 1949 NZ LYS A 125 4.606 -16.749 8.988 1.00 0.00 N ATOM 0 H LYS A 125 2.121 -13.687 6.188 1.00 0.00 H new ATOM 0 HA LYS A 125 0.659 -13.055 8.587 1.00 0.00 H new ATOM 0 HB2 LYS A 125 3.504 -12.931 7.613 1.00 0.00 H new ATOM 0 HB3 LYS A 125 3.064 -11.966 9.008 1.00 0.00 H new ATOM 0 HG2 LYS A 125 2.378 -13.924 10.251 1.00 0.00 H new ATOM 0 HG3 LYS A 125 2.505 -14.944 8.832 1.00 0.00 H new ATOM 0 HD2 LYS A 125 5.011 -14.171 8.780 1.00 0.00 H new ATOM 0 HD3 LYS A 125 4.731 -13.669 10.436 1.00 0.00 H new ATOM 0 HE2 LYS A 125 5.535 -15.866 10.675 1.00 0.00 H new ATOM 0 HE3 LYS A 125 3.799 -16.060 10.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 5.022 -17.651 9.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 3.632 -16.911 8.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 5.171 -16.355 8.209 1.00 0.00 H new ATOM 1963 N GLY A 126 1.529 -10.690 6.480 1.00 0.00 N ATOM 1964 CA GLY A 126 1.313 -9.291 6.157 1.00 0.00 C ATOM 1965 C GLY A 126 2.360 -8.386 6.774 1.00 0.00 C ATOM 1966 O GLY A 126 2.960 -8.725 7.794 1.00 0.00 O ATOM 0 H GLY A 126 2.016 -11.226 5.762 1.00 0.00 H new ATOM 0 HA2 GLY A 126 1.321 -9.166 5.074 1.00 0.00 H new ATOM 0 HA3 GLY A 126 0.325 -8.989 6.505 1.00 0.00 H new ATOM 1970 N TRP A 127 2.581 -7.232 6.155 1.00 0.00 N ATOM 1971 CA TRP A 127 3.565 -6.275 6.649 1.00 0.00 C ATOM 1972 C TRP A 127 3.137 -4.845 6.340 1.00 0.00 C ATOM 1973 O TRP A 127 2.329 -4.608 5.441 1.00 0.00 O ATOM 1974 CB TRP A 127 4.935 -6.556 6.030 1.00 0.00 C ATOM 1975 CG TRP A 127 5.024 -6.172 4.584 1.00 0.00 C ATOM 1976 CD1 TRP A 127 5.287 -4.930 4.080 1.00 0.00 C ATOM 1977 CD2 TRP A 127 4.846 -7.036 3.456 1.00 0.00 C ATOM 1978 NE1 TRP A 127 5.284 -4.970 2.707 1.00 0.00 N ATOM 1979 CE2 TRP A 127 5.017 -6.250 2.299 1.00 0.00 C ATOM 1980 CE3 TRP A 127 4.562 -8.396 3.311 1.00 0.00 C ATOM 1981 CZ2 TRP A 127 4.911 -6.782 1.017 1.00 0.00 C ATOM 1982 CZ3 TRP A 127 4.457 -8.922 2.037 1.00 0.00 C ATOM 1983 CH2 TRP A 127 4.632 -8.117 0.904 1.00 0.00 C ATOM 0 H TRP A 127 2.092 -6.936 5.310 1.00 0.00 H new ATOM 0 HA TRP A 127 3.633 -6.388 7.731 1.00 0.00 H new ATOM 0 HB2 TRP A 127 5.697 -6.014 6.590 1.00 0.00 H new ATOM 0 HB3 TRP A 127 5.160 -7.618 6.131 1.00 0.00 H new ATOM 0 HD1 TRP A 127 5.470 -4.047 4.674 1.00 0.00 H new ATOM 0 HE1 TRP A 127 5.453 -4.175 2.091 1.00 0.00 H new ATOM 0 HE3 TRP A 127 4.427 -9.025 4.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 5.044 -6.163 0.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 4.236 -9.972 1.913 1.00 0.00 H new ATOM 0 HH2 TRP A 127 4.545 -8.559 -0.078 1.00 0.00 H new ATOM 1994 N THR A 128 3.683 -3.893 7.090 1.00 0.00 N ATOM 1995 CA THR A 128 3.356 -2.486 6.896 1.00 0.00 C ATOM 1996 C THR A 128 4.619 -1.641 6.766 1.00 0.00 C ATOM 1997 O THR A 128 5.560 -1.793 7.545 1.00 0.00 O ATOM 1998 CB THR A 128 2.505 -1.941 8.059 1.00 0.00 C ATOM 1999 OG1 THR A 128 1.297 -2.700 8.180 1.00 0.00 O ATOM 2000 CG2 THR A 128 2.168 -0.474 7.842 1.00 0.00 C ATOM 0 H THR A 128 4.354 -4.071 7.838 1.00 0.00 H new ATOM 0 HA THR A 128 2.781 -2.420 5.973 1.00 0.00 H new ATOM 0 HB THR A 128 3.085 -2.032 8.978 1.00 0.00 H new ATOM 0 HG1 THR A 128 0.763 -2.348 8.922 1.00 0.00 H new ATOM 0 HG21 THR A 128 1.567 -0.112 8.676 1.00 0.00 H new ATOM 0 HG22 THR A 128 3.089 0.106 7.780 1.00 0.00 H new ATOM 0 HG23 THR A 128 1.606 -0.363 6.915 1.00 0.00 H new ATOM 2008 N GLN A 129 4.631 -0.752 5.779 1.00 0.00 N ATOM 2009 CA GLN A 129 5.779 0.117 5.548 1.00 0.00 C ATOM 2010 C GLN A 129 5.430 1.231 4.567 1.00 0.00 C ATOM 2011 O GLN A 129 4.511 1.095 3.759 1.00 0.00 O ATOM 2012 CB GLN A 129 6.961 -0.695 5.016 1.00 0.00 C ATOM 2013 CG GLN A 129 6.774 -1.176 3.586 1.00 0.00 C ATOM 2014 CD GLN A 129 8.033 -1.794 3.010 1.00 0.00 C ATOM 2015 OE1 GLN A 129 8.160 -3.017 2.938 1.00 0.00 O ATOM 2016 NE2 GLN A 129 8.971 -0.951 2.595 1.00 0.00 N ATOM 0 H GLN A 129 3.859 -0.614 5.126 1.00 0.00 H new ATOM 0 HA GLN A 129 6.057 0.570 6.500 1.00 0.00 H new ATOM 0 HB2 GLN A 129 7.863 -0.086 5.071 1.00 0.00 H new ATOM 0 HB3 GLN A 129 7.119 -1.558 5.663 1.00 0.00 H new ATOM 0 HG2 GLN A 129 5.967 -1.908 3.555 1.00 0.00 H new ATOM 0 HG3 GLN A 129 6.467 -0.337 2.962 1.00 0.00 H new ATOM 0 HE21 GLN A 129 8.823 0.055 2.674 1.00 0.00 H new ATOM 0 HE22 GLN A 129 9.839 -1.310 2.197 1.00 0.00 H new ATOM 2025 N TRP A 130 6.168 2.333 4.644 1.00 0.00 N ATOM 2026 CA TRP A 130 5.936 3.471 3.762 1.00 0.00 C ATOM 2027 C TRP A 130 6.769 3.354 2.491 1.00 0.00 C ATOM 2028 O TRP A 130 7.996 3.277 2.546 1.00 0.00 O ATOM 2029 CB TRP A 130 6.267 4.778 4.485 1.00 0.00 C ATOM 2030 CG TRP A 130 5.181 5.236 5.411 1.00 0.00 C ATOM 2031 CD1 TRP A 130 5.045 4.922 6.733 1.00 0.00 C ATOM 2032 CD2 TRP A 130 4.078 6.089 5.084 1.00 0.00 C ATOM 2033 NE1 TRP A 130 3.925 5.529 7.248 1.00 0.00 N ATOM 2034 CE2 TRP A 130 3.315 6.251 6.256 1.00 0.00 C ATOM 2035 CE3 TRP A 130 3.663 6.733 3.915 1.00 0.00 C ATOM 2036 CZ2 TRP A 130 2.161 7.028 6.291 1.00 0.00 C ATOM 2037 CZ3 TRP A 130 2.517 7.504 3.951 1.00 0.00 C ATOM 2038 CH2 TRP A 130 1.777 7.648 5.132 1.00 0.00 C ATOM 0 H TRP A 130 6.932 2.462 5.308 1.00 0.00 H new ATOM 0 HA TRP A 130 4.882 3.474 3.484 1.00 0.00 H new ATOM 0 HB2 TRP A 130 7.188 4.647 5.053 1.00 0.00 H new ATOM 0 HB3 TRP A 130 6.456 5.556 3.746 1.00 0.00 H new ATOM 0 HD1 TRP A 130 5.719 4.289 7.292 1.00 0.00 H new ATOM 0 HE1 TRP A 130 3.600 5.454 8.212 1.00 0.00 H new ATOM 0 HE3 TRP A 130 4.228 6.630 3.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 1.589 7.138 7.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 2.186 8.004 3.053 1.00 0.00 H new ATOM 0 HH2 TRP A 130 0.887 8.260 5.128 1.00 0.00 H new ATOM 2049 N TYR A 131 6.095 3.342 1.346 1.00 0.00 N ATOM 2050 CA TYR A 131 6.774 3.231 0.060 1.00 0.00 C ATOM 2051 C TYR A 131 7.069 4.611 -0.520 1.00 0.00 C ATOM 2052 O TYR A 131 6.181 5.274 -1.058 1.00 0.00 O ATOM 2053 CB TYR A 131 5.923 2.424 -0.922 1.00 0.00 C ATOM 2054 CG TYR A 131 5.646 1.010 -0.462 1.00 0.00 C ATOM 2055 CD1 TYR A 131 6.671 0.194 -0.002 1.00 0.00 C ATOM 2056 CD2 TYR A 131 4.357 0.492 -0.487 1.00 0.00 C ATOM 2057 CE1 TYR A 131 6.422 -1.098 0.418 1.00 0.00 C ATOM 2058 CE2 TYR A 131 4.098 -0.799 -0.068 1.00 0.00 C ATOM 2059 CZ TYR A 131 5.134 -1.590 0.383 1.00 0.00 C ATOM 2060 OH TYR A 131 4.882 -2.876 0.802 1.00 0.00 O ATOM 0 H TYR A 131 5.079 3.408 1.282 1.00 0.00 H new ATOM 0 HA TYR A 131 7.720 2.714 0.220 1.00 0.00 H new ATOM 0 HB2 TYR A 131 4.975 2.939 -1.077 1.00 0.00 H new ATOM 0 HB3 TYR A 131 6.429 2.391 -1.887 1.00 0.00 H new ATOM 0 HD1 TYR A 131 7.681 0.576 0.028 1.00 0.00 H new ATOM 0 HD2 TYR A 131 3.544 1.109 -0.840 1.00 0.00 H new ATOM 0 HE1 TYR A 131 7.231 -1.719 0.772 1.00 0.00 H new ATOM 0 HE2 TYR A 131 3.090 -1.186 -0.094 1.00 0.00 H new ATOM 0 HH TYR A 131 3.925 -3.067 0.715 1.00 0.00 H new ATOM 2070 N ASP A 132 8.322 5.037 -0.407 1.00 0.00 N ATOM 2071 CA ASP A 132 8.736 6.338 -0.922 1.00 0.00 C ATOM 2072 C ASP A 132 8.416 6.461 -2.408 1.00 0.00 C ATOM 2073 O ASP A 132 8.892 5.671 -3.225 1.00 0.00 O ATOM 2074 CB ASP A 132 10.234 6.547 -0.691 1.00 0.00 C ATOM 2075 CG ASP A 132 11.082 5.542 -1.445 1.00 0.00 C ATOM 2076 OD1 ASP A 132 11.320 4.442 -0.904 1.00 0.00 O ATOM 2077 OD2 ASP A 132 11.508 5.855 -2.577 1.00 0.00 O ATOM 0 H ASP A 132 9.069 4.501 0.036 1.00 0.00 H new ATOM 0 HA ASP A 132 8.182 7.108 -0.385 1.00 0.00 H new ATOM 0 HB2 ASP A 132 10.509 7.555 -1.001 1.00 0.00 H new ATOM 0 HB3 ASP A 132 10.448 6.472 0.375 1.00 0.00 H new ATOM 2082 N LEU A 133 7.605 7.456 -2.752 1.00 0.00 N ATOM 2083 CA LEU A 133 7.219 7.683 -4.141 1.00 0.00 C ATOM 2084 C LEU A 133 8.417 8.130 -4.973 1.00 0.00 C ATOM 2085 O LEU A 133 9.363 8.722 -4.452 1.00 0.00 O ATOM 2086 CB LEU A 133 6.110 8.733 -4.217 1.00 0.00 C ATOM 2087 CG LEU A 133 4.687 8.225 -3.984 1.00 0.00 C ATOM 2088 CD1 LEU A 133 3.709 9.387 -3.918 1.00 0.00 C ATOM 2089 CD2 LEU A 133 4.284 7.247 -5.078 1.00 0.00 C ATOM 0 H LEU A 133 7.202 8.118 -2.089 1.00 0.00 H new ATOM 0 HA LEU A 133 6.849 6.742 -4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 133 6.322 9.510 -3.482 1.00 0.00 H new ATOM 0 HB3 LEU A 133 6.150 9.204 -5.199 1.00 0.00 H new ATOM 0 HG LEU A 133 4.661 7.701 -3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 133 2.702 9.006 -3.752 1.00 0.00 H new ATOM 0 HD12 LEU A 133 3.986 10.050 -3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 133 3.737 9.940 -4.857 1.00 0.00 H new ATOM 0 HD21 LEU A 133 3.268 6.896 -4.896 1.00 0.00 H new ATOM 0 HD22 LEU A 133 4.327 7.746 -6.046 1.00 0.00 H new ATOM 0 HD23 LEU A 133 4.967 6.398 -5.077 1.00 0.00 H new ATOM 2101 N THR A 134 8.369 7.845 -6.270 1.00 0.00 N ATOM 2102 CA THR A 134 9.450 8.218 -7.175 1.00 0.00 C ATOM 2103 C THR A 134 8.908 8.608 -8.546 1.00 0.00 C ATOM 2104 O THR A 134 7.728 8.415 -8.834 1.00 0.00 O ATOM 2105 CB THR A 134 10.464 7.071 -7.343 1.00 0.00 C ATOM 2106 OG1 THR A 134 9.862 5.986 -8.057 1.00 0.00 O ATOM 2107 CG2 THR A 134 10.957 6.583 -5.989 1.00 0.00 C ATOM 0 H THR A 134 7.593 7.357 -6.718 1.00 0.00 H new ATOM 0 HA THR A 134 9.954 9.075 -6.729 1.00 0.00 H new ATOM 0 HB THR A 134 11.316 7.448 -7.908 1.00 0.00 H new ATOM 0 HG1 THR A 134 8.905 5.950 -7.851 1.00 0.00 H new ATOM 0 HG21 THR A 134 11.672 5.773 -6.132 1.00 0.00 H new ATOM 0 HG22 THR A 134 11.441 7.404 -5.460 1.00 0.00 H new ATOM 0 HG23 THR A 134 10.112 6.222 -5.403 1.00 0.00 H new ATOM 2115 N GLU A 135 9.780 9.157 -9.387 1.00 0.00 N ATOM 2116 CA GLU A 135 9.387 9.573 -10.728 1.00 0.00 C ATOM 2117 C GLU A 135 9.248 8.368 -11.653 1.00 0.00 C ATOM 2118 O GLU A 135 9.812 7.304 -11.394 1.00 0.00 O ATOM 2119 CB GLU A 135 10.412 10.554 -11.301 1.00 0.00 C ATOM 2120 CG GLU A 135 10.521 11.850 -10.515 1.00 0.00 C ATOM 2121 CD GLU A 135 11.086 12.988 -11.342 1.00 0.00 C ATOM 2122 OE1 GLU A 135 10.508 13.292 -12.407 1.00 0.00 O ATOM 2123 OE2 GLU A 135 12.105 13.576 -10.923 1.00 0.00 O ATOM 0 H GLU A 135 10.761 9.324 -9.163 1.00 0.00 H new ATOM 0 HA GLU A 135 8.419 10.069 -10.658 1.00 0.00 H new ATOM 0 HB2 GLU A 135 11.389 10.071 -11.327 1.00 0.00 H new ATOM 0 HB3 GLU A 135 10.144 10.786 -12.332 1.00 0.00 H new ATOM 0 HG2 GLU A 135 9.535 12.130 -10.145 1.00 0.00 H new ATOM 0 HG3 GLU A 135 11.155 11.690 -9.643 1.00 0.00 H new ATOM 2130 N ASP A 136 8.492 8.542 -12.732 1.00 0.00 N ATOM 2131 CA ASP A 136 8.278 7.469 -13.696 1.00 0.00 C ATOM 2132 C ASP A 136 9.597 7.036 -14.330 1.00 0.00 C ATOM 2133 O ASP A 136 10.543 7.820 -14.414 1.00 0.00 O ATOM 2134 CB ASP A 136 7.300 7.919 -14.783 1.00 0.00 C ATOM 2135 CG ASP A 136 7.958 8.801 -15.825 1.00 0.00 C ATOM 2136 OD1 ASP A 136 8.485 9.869 -15.451 1.00 0.00 O ATOM 2137 OD2 ASP A 136 7.945 8.424 -17.016 1.00 0.00 O ATOM 0 H ASP A 136 8.018 9.415 -12.961 1.00 0.00 H new ATOM 0 HA ASP A 136 7.854 6.617 -13.165 1.00 0.00 H new ATOM 0 HB2 ASP A 136 6.874 7.042 -15.270 1.00 0.00 H new ATOM 0 HB3 ASP A 136 6.474 8.460 -14.323 1.00 0.00 H new