USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 745 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 84 THR OG1 : rot 160:sc= 1.1 USER MOD Set 1.2: A 90 LYS NZ :NH3+ -149:sc= 1.08 (180deg=-0.873) USER MOD Set 2.1: A 76 HIS : no HE2:sc= -2.55 K(o=-4.1,f=-8.2!) USER MOD Set 2.2: A 78 LYS NZ :NH3+ -128:sc= -1.55 (180deg=-3.41!) USER MOD Set 3.1: A 31 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 144:sc= -6.64! USER MOD Single : A 11 HIS :FLIP no HD1:sc= -0.446 F(o=-1.4,f=-0.45) USER MOD Single : A 12 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.5) USER MOD Single : A 15 CYS SG : rot -37:sc= 0.00267 USER MOD Single : A 18 ASN : amide:sc= -0.7 K(o=-0.7,f=-2.4!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -20:sc= 0.0413 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 148:sc= 0.298 (180deg=-0.125) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -159:sc= -0.0348 (180deg=-0.382) USER MOD Single : A 48 ASN : amide:sc= 0.205 K(o=0.21,f=-4!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -3.84 K(o=-3.8,f=-4.7!) USER MOD Single : A 58 ASN :FLIP amide:sc= -0.855 F(o=-1.6,f=-0.85) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot -66:sc= -0.361 USER MOD Single : A 64 GLN : amide:sc= -0.315 X(o=-0.32,f=-0.26) USER MOD Single : A 68 HIS : no HD1:sc= -2.88 K(o=-2.9,f=-3.7!) USER MOD Single : A 69 THR OG1 : rot 70:sc= -3.38! USER MOD Single : A 70 MET CE :methyl -115:sc= -4.53! (180deg=-13.1!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 156:sc= -0.0445 (180deg=-1.01) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-2.3!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 2.8e-05 X(o=2.8e-05,f=0) USER MOD ----------------------------------------------------------------- ATOM 42 N TRP A 3 9.616 3.861 9.675 1.00 0.00 N ATOM 43 CA TRP A 3 8.316 4.387 9.272 1.00 0.00 C ATOM 44 C TRP A 3 8.096 5.788 9.837 1.00 0.00 C ATOM 45 O TRP A 3 7.848 5.954 11.030 1.00 0.00 O ATOM 46 CB TRP A 3 7.192 3.458 9.743 1.00 0.00 C ATOM 47 CG TRP A 3 7.187 3.230 11.224 1.00 0.00 C ATOM 48 CD1 TRP A 3 7.903 2.292 11.912 1.00 0.00 C ATOM 49 CD2 TRP A 3 6.427 3.951 12.201 1.00 0.00 C ATOM 50 NE1 TRP A 3 7.635 2.387 13.256 1.00 0.00 N ATOM 51 CE2 TRP A 3 6.732 3.398 13.459 1.00 0.00 C ATOM 52 CE3 TRP A 3 5.519 5.012 12.133 1.00 0.00 C ATOM 53 CZ2 TRP A 3 6.160 3.870 14.638 1.00 0.00 C ATOM 54 CZ3 TRP A 3 4.953 5.479 13.304 1.00 0.00 C ATOM 55 CH2 TRP A 3 5.275 4.909 14.542 1.00 0.00 C ATOM 0 HA TRP A 3 8.301 4.443 8.184 1.00 0.00 H new ATOM 0 HB2 TRP A 3 6.233 3.881 9.445 1.00 0.00 H new ATOM 0 HB3 TRP A 3 7.288 2.498 9.236 1.00 0.00 H new ATOM 0 HD1 TRP A 3 8.581 1.580 11.465 1.00 0.00 H new ATOM 0 HE1 TRP A 3 8.042 1.800 13.985 1.00 0.00 H new ATOM 0 HE3 TRP A 3 5.265 5.458 11.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 6.406 3.432 15.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 4.250 6.298 13.264 1.00 0.00 H new ATOM 0 HH2 TRP A 3 4.816 5.297 15.439 1.00 0.00 H new ATOM 66 N TYR A 4 8.182 6.794 8.972 1.00 0.00 N ATOM 67 CA TYR A 4 7.984 8.177 9.392 1.00 0.00 C ATOM 68 C TYR A 4 6.500 8.522 9.403 1.00 0.00 C ATOM 69 O TYR A 4 5.796 8.299 8.419 1.00 0.00 O ATOM 70 CB TYR A 4 8.738 9.132 8.464 1.00 0.00 C ATOM 71 CG TYR A 4 9.601 10.132 9.199 1.00 0.00 C ATOM 72 CD1 TYR A 4 9.141 10.765 10.347 1.00 0.00 C ATOM 73 CD2 TYR A 4 10.877 10.443 8.746 1.00 0.00 C ATOM 74 CE1 TYR A 4 9.927 11.679 11.023 1.00 0.00 C ATOM 75 CE2 TYR A 4 11.669 11.356 9.415 1.00 0.00 C ATOM 76 CZ TYR A 4 11.190 11.971 10.553 1.00 0.00 C ATOM 77 OH TYR A 4 11.976 12.880 11.223 1.00 0.00 O ATOM 0 H TYR A 4 8.387 6.678 7.979 1.00 0.00 H new ATOM 0 HA TYR A 4 8.378 8.288 10.402 1.00 0.00 H new ATOM 0 HB2 TYR A 4 9.365 8.550 7.789 1.00 0.00 H new ATOM 0 HB3 TYR A 4 8.018 9.670 7.847 1.00 0.00 H new ATOM 0 HD1 TYR A 4 8.152 10.539 10.718 1.00 0.00 H new ATOM 0 HD2 TYR A 4 11.256 9.963 7.856 1.00 0.00 H new ATOM 0 HE1 TYR A 4 9.554 12.162 11.914 1.00 0.00 H new ATOM 0 HE2 TYR A 4 12.658 11.587 9.049 1.00 0.00 H new ATOM 0 HH TYR A 4 12.836 12.971 10.762 1.00 0.00 H new ATOM 129 N VAL A 8 3.890 6.681 4.274 1.00 0.00 N ATOM 130 CA VAL A 8 4.643 7.450 3.284 1.00 0.00 C ATOM 131 C VAL A 8 5.111 6.588 2.106 1.00 0.00 C ATOM 132 O VAL A 8 5.144 5.365 2.187 1.00 0.00 O ATOM 133 CB VAL A 8 5.864 8.130 3.920 1.00 0.00 C ATOM 134 CG1 VAL A 8 6.187 9.432 3.202 1.00 0.00 C ATOM 135 CG2 VAL A 8 5.616 8.370 5.400 1.00 0.00 C ATOM 0 HA VAL A 8 3.956 8.207 2.905 1.00 0.00 H new ATOM 0 HB VAL A 8 6.726 7.471 3.819 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.055 9.899 3.668 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.404 9.225 2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.333 10.106 3.269 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.488 8.853 5.841 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.744 9.013 5.523 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.438 7.417 5.898 1.00 0.00 H new ATOM 145 N THR A 9 5.469 7.263 1.015 1.00 0.00 N ATOM 146 CA THR A 9 5.944 6.625 -0.216 1.00 0.00 C ATOM 147 C THR A 9 6.344 7.735 -1.206 1.00 0.00 C ATOM 148 O THR A 9 6.243 8.913 -0.870 1.00 0.00 O ATOM 149 CB THR A 9 4.865 5.663 -0.787 1.00 0.00 C ATOM 150 OG1 THR A 9 5.140 4.332 -0.411 1.00 0.00 O ATOM 151 CG2 THR A 9 4.715 5.666 -2.297 1.00 0.00 C ATOM 0 H THR A 9 5.438 8.281 0.958 1.00 0.00 H new ATOM 0 HA THR A 9 6.819 6.005 -0.020 1.00 0.00 H new ATOM 0 HB THR A 9 3.936 6.043 -0.362 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.299 3.861 -0.236 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.937 4.960 -2.587 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.442 6.666 -2.633 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.659 5.374 -2.757 1.00 0.00 H new ATOM 159 N ARG A 10 6.818 7.372 -2.402 1.00 0.00 N ATOM 160 CA ARG A 10 7.250 8.355 -3.402 1.00 0.00 C ATOM 161 C ARG A 10 8.689 8.766 -3.114 1.00 0.00 C ATOM 162 O ARG A 10 9.568 8.649 -3.968 1.00 0.00 O ATOM 163 CB ARG A 10 6.306 9.570 -3.428 1.00 0.00 C ATOM 164 CG ARG A 10 6.883 10.851 -2.834 1.00 0.00 C ATOM 165 CD ARG A 10 5.908 12.010 -2.959 1.00 0.00 C ATOM 166 NE ARG A 10 5.871 12.552 -4.315 1.00 0.00 N ATOM 167 CZ ARG A 10 5.403 13.761 -4.617 1.00 0.00 C ATOM 168 NH1 ARG A 10 4.933 14.556 -3.663 1.00 0.00 N ATOM 169 NH2 ARG A 10 5.405 14.176 -5.875 1.00 0.00 N ATOM 0 H ARG A 10 6.913 6.402 -2.702 1.00 0.00 H new ATOM 0 HA ARG A 10 7.208 7.903 -4.393 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.018 9.765 -4.461 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.395 9.315 -2.886 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.125 10.689 -1.784 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.815 11.101 -3.341 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.910 11.676 -2.675 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.191 12.798 -2.261 1.00 0.00 H new ATOM 0 HE ARG A 10 6.224 11.970 -5.075 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.929 14.241 -2.693 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.576 15.481 -3.900 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.765 13.569 -6.612 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.046 15.102 -6.107 1.00 0.00 H new ATOM 183 N HIS A 11 8.918 9.204 -1.885 1.00 0.00 N ATOM 184 CA HIS A 11 10.243 9.586 -1.429 1.00 0.00 C ATOM 185 C HIS A 11 10.756 8.485 -0.513 1.00 0.00 C ATOM 186 O HIS A 11 11.896 8.029 -0.623 1.00 0.00 O ATOM 187 CB HIS A 11 10.196 10.926 -0.688 1.00 0.00 C ATOM 188 CG HIS A 11 11.486 11.294 -0.019 1.00 0.00 C ATOM 189 ND1 HIS A 11 12.177 10.680 0.971 1.00 0.00 N flip ATOM 190 CD2 HIS A 11 12.213 12.418 -0.350 1.00 0.00 C flip ATOM 191 CE1 HIS A 11 13.296 11.437 1.216 1.00 0.00 C flip ATOM 192 NE2 HIS A 11 13.295 12.479 0.406 1.00 0.00 N flip ATOM 0 H HIS A 11 8.190 9.304 -1.177 1.00 0.00 H new ATOM 0 HA HIS A 11 10.912 9.710 -2.281 1.00 0.00 H new ATOM 0 HB2 HIS A 11 9.927 11.712 -1.394 1.00 0.00 H new ATOM 0 HB3 HIS A 11 9.406 10.888 0.063 1.00 0.00 H new ATOM 0 HD2 HIS A 11 11.940 13.136 -1.109 1.00 0.00 H new ATOM 0 HE1 HIS A 11 14.054 11.216 1.952 1.00 0.00 H new ATOM 0 HE2 HIS A 11 14.008 13.207 0.370 1.00 0.00 H new ATOM 201 N GLN A 12 9.874 8.035 0.372 1.00 0.00 N ATOM 202 CA GLN A 12 10.197 6.961 1.290 1.00 0.00 C ATOM 203 C GLN A 12 10.141 5.631 0.553 1.00 0.00 C ATOM 204 O GLN A 12 10.937 4.730 0.817 1.00 0.00 O ATOM 205 CB GLN A 12 9.227 6.952 2.474 1.00 0.00 C ATOM 206 CG GLN A 12 9.445 8.103 3.443 1.00 0.00 C ATOM 207 CD GLN A 12 9.747 7.631 4.852 1.00 0.00 C ATOM 208 OE1 GLN A 12 9.169 6.655 5.330 1.00 0.00 O ATOM 209 NE2 GLN A 12 10.658 8.324 5.525 1.00 0.00 N ATOM 0 H GLN A 12 8.927 8.402 0.470 1.00 0.00 H new ATOM 0 HA GLN A 12 11.204 7.118 1.678 1.00 0.00 H new ATOM 0 HB2 GLN A 12 8.205 6.993 2.097 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.331 6.010 3.012 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.269 8.722 3.087 1.00 0.00 H new ATOM 0 HG3 GLN A 12 8.556 8.734 3.458 1.00 0.00 H new ATOM 0 HE21 GLN A 12 11.112 9.127 5.090 1.00 0.00 H new ATOM 0 HE22 GLN A 12 10.903 8.054 6.477 1.00 0.00 H new ATOM 218 N ALA A 13 9.199 5.516 -0.386 1.00 0.00 N ATOM 219 CA ALA A 13 9.061 4.294 -1.163 1.00 0.00 C ATOM 220 C ALA A 13 10.313 4.025 -1.978 1.00 0.00 C ATOM 221 O ALA A 13 10.767 2.891 -2.057 1.00 0.00 O ATOM 222 CB ALA A 13 7.850 4.372 -2.072 1.00 0.00 C ATOM 0 H ALA A 13 8.530 6.249 -0.621 1.00 0.00 H new ATOM 0 HA ALA A 13 8.921 3.468 -0.466 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.765 3.448 -2.644 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.952 4.510 -1.470 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.962 5.214 -2.756 1.00 0.00 H new ATOM 228 N GLU A 14 10.889 5.068 -2.567 1.00 0.00 N ATOM 229 CA GLU A 14 12.105 4.897 -3.346 1.00 0.00 C ATOM 230 C GLU A 14 13.237 4.499 -2.419 1.00 0.00 C ATOM 231 O GLU A 14 13.984 3.569 -2.697 1.00 0.00 O ATOM 232 CB GLU A 14 12.471 6.168 -4.112 1.00 0.00 C ATOM 233 CG GLU A 14 12.256 7.449 -3.326 1.00 0.00 C ATOM 234 CD GLU A 14 12.730 8.678 -4.077 1.00 0.00 C ATOM 235 OE1 GLU A 14 12.071 9.060 -5.066 1.00 0.00 O ATOM 236 OE2 GLU A 14 13.761 9.258 -3.675 1.00 0.00 O ATOM 0 H GLU A 14 10.539 6.025 -2.520 1.00 0.00 H new ATOM 0 HA GLU A 14 11.934 4.113 -4.084 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.517 6.110 -4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.879 6.212 -5.026 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.196 7.555 -3.094 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.785 7.381 -2.376 1.00 0.00 H new ATOM 243 N CYS A 15 13.338 5.185 -1.288 1.00 0.00 N ATOM 244 CA CYS A 15 14.367 4.865 -0.310 1.00 0.00 C ATOM 245 C CYS A 15 14.272 3.398 0.124 1.00 0.00 C ATOM 246 O CYS A 15 15.171 2.883 0.789 1.00 0.00 O ATOM 247 CB CYS A 15 14.238 5.777 0.911 1.00 0.00 C ATOM 248 SG CYS A 15 15.694 5.788 1.982 1.00 0.00 S ATOM 0 H CYS A 15 12.726 5.959 -1.028 1.00 0.00 H new ATOM 0 HA CYS A 15 15.339 5.025 -0.776 1.00 0.00 H new ATOM 0 HB2 CYS A 15 14.042 6.794 0.572 1.00 0.00 H new ATOM 0 HB3 CYS A 15 13.373 5.464 1.495 1.00 0.00 H new ATOM 0 HG CYS A 15 16.207 4.595 2.029 1.00 0.00 H new ATOM 254 N ALA A 16 13.173 2.730 -0.244 1.00 0.00 N ATOM 255 CA ALA A 16 12.968 1.334 0.124 1.00 0.00 C ATOM 256 C ALA A 16 12.929 0.407 -1.091 1.00 0.00 C ATOM 257 O ALA A 16 13.370 -0.739 -1.015 1.00 0.00 O ATOM 258 CB ALA A 16 11.678 1.205 0.909 1.00 0.00 C ATOM 0 H ALA A 16 12.417 3.136 -0.795 1.00 0.00 H new ATOM 0 HA ALA A 16 13.817 1.027 0.735 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.523 0.162 1.185 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.739 1.814 1.811 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.844 1.546 0.296 1.00 0.00 H new ATOM 264 N LEU A 17 12.402 0.901 -2.208 1.00 0.00 N ATOM 265 CA LEU A 17 12.314 0.099 -3.429 1.00 0.00 C ATOM 266 C LEU A 17 13.099 0.740 -4.559 1.00 0.00 C ATOM 267 O LEU A 17 12.958 0.356 -5.717 1.00 0.00 O ATOM 268 CB LEU A 17 10.863 -0.092 -3.871 1.00 0.00 C ATOM 269 CG LEU A 17 9.811 0.164 -2.801 1.00 0.00 C ATOM 270 CD1 LEU A 17 8.441 -0.197 -3.324 1.00 0.00 C ATOM 271 CD2 LEU A 17 10.123 -0.619 -1.537 1.00 0.00 C ATOM 0 H LEU A 17 12.031 1.847 -2.295 1.00 0.00 H new ATOM 0 HA LEU A 17 12.743 -0.876 -3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.668 0.572 -4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 17 10.744 -1.112 -4.235 1.00 0.00 H new ATOM 0 HG LEU A 17 9.823 1.225 -2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.696 -0.010 -2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.215 0.410 -4.201 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.423 -1.252 -3.598 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.357 -0.420 -0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.140 -1.685 -1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 17 11.096 -0.315 -1.152 1.00 0.00 H new ATOM 283 N ASN A 18 13.925 1.718 -4.215 1.00 0.00 N ATOM 284 CA ASN A 18 14.750 2.415 -5.206 1.00 0.00 C ATOM 285 C ASN A 18 15.332 1.408 -6.197 1.00 0.00 C ATOM 286 O ASN A 18 15.518 1.711 -7.376 1.00 0.00 O ATOM 287 CB ASN A 18 15.886 3.190 -4.520 1.00 0.00 C ATOM 288 CG ASN A 18 16.960 3.647 -5.491 1.00 0.00 C ATOM 289 OD1 ASN A 18 17.695 2.832 -6.051 1.00 0.00 O ATOM 290 ND2 ASN A 18 17.057 4.956 -5.694 1.00 0.00 N ATOM 0 H ASN A 18 14.045 2.051 -3.258 1.00 0.00 H new ATOM 0 HA ASN A 18 14.121 3.126 -5.741 1.00 0.00 H new ATOM 0 HB2 ASN A 18 15.470 4.059 -4.011 1.00 0.00 H new ATOM 0 HB3 ASN A 18 16.339 2.559 -3.755 1.00 0.00 H new ATOM 0 HD21 ASN A 18 17.761 5.322 -6.335 1.00 0.00 H new ATOM 0 HD22 ASN A 18 16.427 5.595 -5.209 1.00 0.00 H new ATOM 297 N GLU A 19 15.600 0.201 -5.701 1.00 0.00 N ATOM 298 CA GLU A 19 16.142 -0.867 -6.532 1.00 0.00 C ATOM 299 C GLU A 19 15.036 -1.487 -7.378 1.00 0.00 C ATOM 300 O GLU A 19 15.243 -1.813 -8.547 1.00 0.00 O ATOM 301 CB GLU A 19 16.803 -1.937 -5.662 1.00 0.00 C ATOM 302 CG GLU A 19 17.448 -3.057 -6.461 1.00 0.00 C ATOM 303 CD GLU A 19 18.634 -2.582 -7.279 1.00 0.00 C ATOM 304 OE1 GLU A 19 18.440 -1.714 -8.156 1.00 0.00 O ATOM 305 OE2 GLU A 19 19.755 -3.079 -7.043 1.00 0.00 O ATOM 0 H GLU A 19 15.450 -0.060 -4.726 1.00 0.00 H new ATOM 0 HA GLU A 19 16.897 -0.443 -7.194 1.00 0.00 H new ATOM 0 HB2 GLU A 19 17.560 -1.467 -5.035 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.055 -2.363 -4.993 1.00 0.00 H new ATOM 0 HG2 GLU A 19 17.773 -3.844 -5.780 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.706 -3.498 -7.126 1.00 0.00 H new ATOM 312 N ARG A 20 13.856 -1.637 -6.772 1.00 0.00 N ATOM 313 CA ARG A 20 12.689 -2.204 -7.449 1.00 0.00 C ATOM 314 C ARG A 20 12.684 -3.721 -7.354 1.00 0.00 C ATOM 315 O ARG A 20 13.371 -4.405 -8.114 1.00 0.00 O ATOM 316 CB ARG A 20 12.633 -1.772 -8.919 1.00 0.00 C ATOM 317 CG ARG A 20 11.220 -1.532 -9.428 1.00 0.00 C ATOM 318 CD ARG A 20 11.149 -1.626 -10.944 1.00 0.00 C ATOM 319 NE ARG A 20 11.764 -2.853 -11.447 1.00 0.00 N ATOM 320 CZ ARG A 20 12.131 -3.033 -12.714 1.00 0.00 C ATOM 321 NH1 ARG A 20 11.949 -2.069 -13.609 1.00 0.00 N ATOM 322 NH2 ARG A 20 12.683 -4.179 -13.087 1.00 0.00 N ATOM 0 H ARG A 20 13.684 -1.370 -5.803 1.00 0.00 H new ATOM 0 HA ARG A 20 11.804 -1.820 -6.942 1.00 0.00 H new ATOM 0 HB2 ARG A 20 13.215 -0.859 -9.043 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.106 -2.538 -9.533 1.00 0.00 H new ATOM 0 HG2 ARG A 20 10.544 -2.263 -8.985 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.879 -0.548 -9.107 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.107 -1.587 -11.261 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.649 -0.763 -11.384 1.00 0.00 H new ATOM 0 HE ARG A 20 11.921 -3.616 -10.789 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.526 -1.185 -13.327 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.232 -2.213 -14.578 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.826 -4.922 -12.403 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.964 -4.317 -14.058 1.00 0.00 H new ATOM 336 N GLY A 21 11.900 -4.243 -6.418 1.00 0.00 N ATOM 337 CA GLY A 21 11.816 -5.679 -6.246 1.00 0.00 C ATOM 338 C GLY A 21 12.686 -6.182 -5.113 1.00 0.00 C ATOM 339 O GLY A 21 13.560 -7.023 -5.322 1.00 0.00 O ATOM 0 H GLY A 21 11.323 -3.698 -5.777 1.00 0.00 H new ATOM 0 HA2 GLY A 21 10.780 -5.958 -6.055 1.00 0.00 H new ATOM 0 HA3 GLY A 21 12.113 -6.170 -7.173 1.00 0.00 H new ATOM 343 N VAL A 22 12.445 -5.675 -3.908 1.00 0.00 N ATOM 344 CA VAL A 22 13.215 -6.092 -2.745 1.00 0.00 C ATOM 345 C VAL A 22 12.316 -6.794 -1.730 1.00 0.00 C ATOM 346 O VAL A 22 11.342 -6.217 -1.248 1.00 0.00 O ATOM 347 CB VAL A 22 13.920 -4.891 -2.075 1.00 0.00 C ATOM 348 CG1 VAL A 22 15.354 -4.771 -2.567 1.00 0.00 C ATOM 349 CG2 VAL A 22 13.156 -3.598 -2.327 1.00 0.00 C ATOM 0 H VAL A 22 11.726 -4.978 -3.713 1.00 0.00 H new ATOM 0 HA VAL A 22 13.979 -6.789 -3.091 1.00 0.00 H new ATOM 0 HB VAL A 22 13.937 -5.067 -0.999 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.834 -3.920 -2.084 1.00 0.00 H new ATOM 0 HG12 VAL A 22 15.900 -5.682 -2.323 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.357 -4.625 -3.647 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.674 -2.769 -1.844 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.097 -3.414 -3.400 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.150 -3.684 -1.918 1.00 0.00 H new ATOM 359 N GLU A 23 12.652 -8.047 -1.419 1.00 0.00 N ATOM 360 CA GLU A 23 11.883 -8.856 -0.468 1.00 0.00 C ATOM 361 C GLU A 23 10.372 -8.636 -0.627 1.00 0.00 C ATOM 362 O GLU A 23 9.729 -9.281 -1.454 1.00 0.00 O ATOM 363 CB GLU A 23 12.322 -8.566 0.974 1.00 0.00 C ATOM 364 CG GLU A 23 12.831 -7.150 1.196 1.00 0.00 C ATOM 365 CD GLU A 23 13.137 -6.868 2.654 1.00 0.00 C ATOM 366 OE1 GLU A 23 12.192 -6.871 3.471 1.00 0.00 O ATOM 367 OE2 GLU A 23 14.322 -6.645 2.980 1.00 0.00 O ATOM 0 H GLU A 23 13.459 -8.528 -1.815 1.00 0.00 H new ATOM 0 HA GLU A 23 12.089 -9.903 -0.690 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.480 -8.747 1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.106 -9.270 1.252 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.731 -6.993 0.602 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.086 -6.439 0.840 1.00 0.00 H new ATOM 374 N GLY A 24 9.813 -7.724 0.167 1.00 0.00 N ATOM 375 CA GLY A 24 8.392 -7.435 0.096 1.00 0.00 C ATOM 376 C GLY A 24 8.044 -6.165 0.845 1.00 0.00 C ATOM 377 O GLY A 24 7.472 -6.211 1.934 1.00 0.00 O ATOM 0 H GLY A 24 10.324 -7.178 0.861 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.092 -7.337 -0.947 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.829 -8.270 0.513 1.00 0.00 H new ATOM 381 N ASP A 25 8.421 -5.029 0.270 1.00 0.00 N ATOM 382 CA ASP A 25 8.184 -3.738 0.887 1.00 0.00 C ATOM 383 C ASP A 25 6.922 -3.063 0.343 1.00 0.00 C ATOM 384 O ASP A 25 6.754 -2.908 -0.867 1.00 0.00 O ATOM 385 CB ASP A 25 9.405 -2.839 0.670 1.00 0.00 C ATOM 386 CG ASP A 25 10.340 -3.340 -0.419 1.00 0.00 C ATOM 387 OD1 ASP A 25 9.876 -3.515 -1.566 1.00 0.00 O ATOM 388 OD2 ASP A 25 11.533 -3.559 -0.122 1.00 0.00 O ATOM 0 H ASP A 25 8.896 -4.981 -0.631 1.00 0.00 H new ATOM 0 HA ASP A 25 8.026 -3.897 1.954 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.066 -1.835 0.414 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.959 -2.760 1.605 1.00 0.00 H new ATOM 393 N PHE A 26 6.047 -2.656 1.264 1.00 0.00 N ATOM 394 CA PHE A 26 4.791 -1.983 0.924 1.00 0.00 C ATOM 395 C PHE A 26 4.604 -0.763 1.807 1.00 0.00 C ATOM 396 O PHE A 26 4.871 -0.814 3.008 1.00 0.00 O ATOM 397 CB PHE A 26 3.601 -2.922 1.146 1.00 0.00 C ATOM 398 CG PHE A 26 2.573 -2.949 0.035 1.00 0.00 C ATOM 399 CD1 PHE A 26 2.368 -1.849 -0.772 1.00 0.00 C ATOM 400 CD2 PHE A 26 1.796 -4.080 -0.180 1.00 0.00 C ATOM 401 CE1 PHE A 26 1.410 -1.869 -1.775 1.00 0.00 C ATOM 402 CE2 PHE A 26 0.836 -4.109 -1.175 1.00 0.00 C ATOM 403 CZ PHE A 26 0.642 -3.001 -1.973 1.00 0.00 C ATOM 0 H PHE A 26 6.188 -2.783 2.266 1.00 0.00 H new ATOM 0 HA PHE A 26 4.838 -1.689 -0.125 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.981 -3.933 1.290 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.102 -2.635 2.071 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.962 -0.960 -0.621 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.944 -4.952 0.440 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.264 -1.001 -2.401 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.240 -4.997 -1.327 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.108 -3.018 -2.750 1.00 0.00 H new ATOM 413 N LEU A 27 4.121 0.321 1.229 1.00 0.00 N ATOM 414 CA LEU A 27 3.883 1.531 2.023 1.00 0.00 C ATOM 415 C LEU A 27 2.768 2.404 1.446 1.00 0.00 C ATOM 416 O LEU A 27 2.591 2.488 0.234 1.00 0.00 O ATOM 417 CB LEU A 27 5.164 2.345 2.206 1.00 0.00 C ATOM 418 CG LEU A 27 6.175 2.283 1.063 1.00 0.00 C ATOM 419 CD1 LEU A 27 7.131 3.468 1.153 1.00 0.00 C ATOM 420 CD2 LEU A 27 6.943 0.969 1.098 1.00 0.00 C ATOM 0 H LEU A 27 3.888 0.398 0.239 1.00 0.00 H new ATOM 0 HA LEU A 27 3.550 1.189 3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.887 3.388 2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.657 2.007 3.117 1.00 0.00 H new ATOM 0 HG LEU A 27 5.639 2.335 0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.850 3.418 0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.566 4.397 1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.661 3.436 2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.658 0.944 0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.476 0.884 2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.246 0.137 0.998 1.00 0.00 H new ATOM 432 N ILE A 28 2.013 3.032 2.354 1.00 0.00 N ATOM 433 CA ILE A 28 0.876 3.896 2.005 1.00 0.00 C ATOM 434 C ILE A 28 1.088 5.312 2.527 1.00 0.00 C ATOM 435 O ILE A 28 1.633 5.491 3.609 1.00 0.00 O ATOM 436 CB ILE A 28 -0.437 3.352 2.615 1.00 0.00 C ATOM 437 CG1 ILE A 28 -0.280 1.886 2.941 1.00 0.00 C ATOM 438 CG2 ILE A 28 -1.636 3.542 1.697 1.00 0.00 C ATOM 439 CD1 ILE A 28 0.203 1.650 4.350 1.00 0.00 C ATOM 0 H ILE A 28 2.173 2.956 3.358 1.00 0.00 H new ATOM 0 HA ILE A 28 0.805 3.908 0.917 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.629 3.925 3.522 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.237 1.383 2.800 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.423 1.436 2.240 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.529 3.142 2.177 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.777 4.604 1.497 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.462 3.016 0.758 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.297 0.579 4.528 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.173 2.127 4.487 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.512 2.073 5.055 1.00 0.00 H new ATOM 451 N ARG A 29 0.658 6.312 1.765 1.00 0.00 N ATOM 452 CA ARG A 29 0.814 7.708 2.185 1.00 0.00 C ATOM 453 C ARG A 29 -0.463 8.505 1.969 1.00 0.00 C ATOM 454 O ARG A 29 -1.298 8.155 1.136 1.00 0.00 O ATOM 455 CB ARG A 29 1.959 8.388 1.433 1.00 0.00 C ATOM 456 CG ARG A 29 2.586 7.517 0.368 1.00 0.00 C ATOM 457 CD ARG A 29 3.453 8.331 -0.585 1.00 0.00 C ATOM 458 NE ARG A 29 2.673 9.305 -1.347 1.00 0.00 N ATOM 459 CZ ARG A 29 2.482 10.569 -0.972 1.00 0.00 C ATOM 460 NH1 ARG A 29 2.991 11.019 0.169 1.00 0.00 N ATOM 461 NH2 ARG A 29 1.774 11.385 -1.741 1.00 0.00 N ATOM 0 H ARG A 29 0.202 6.189 0.861 1.00 0.00 H new ATOM 0 HA ARG A 29 1.043 7.689 3.251 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.586 9.302 0.970 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.727 8.683 2.148 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.191 6.743 0.840 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.803 7.010 -0.195 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.225 8.851 -0.017 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.963 7.658 -1.274 1.00 0.00 H new ATOM 0 HE ARG A 29 2.248 8.997 -2.222 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.533 10.395 0.767 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.840 11.988 0.448 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.377 11.044 -2.617 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.626 12.353 -1.457 1.00 0.00 H new ATOM 475 N ASP A 30 -0.596 9.593 2.719 1.00 0.00 N ATOM 476 CA ASP A 30 -1.762 10.462 2.601 1.00 0.00 C ATOM 477 C ASP A 30 -1.614 11.376 1.389 1.00 0.00 C ATOM 478 O ASP A 30 -0.503 11.768 1.031 1.00 0.00 O ATOM 479 CB ASP A 30 -1.944 11.301 3.871 1.00 0.00 C ATOM 480 CG ASP A 30 -1.525 10.562 5.128 1.00 0.00 C ATOM 481 OD1 ASP A 30 -0.339 10.185 5.226 1.00 0.00 O ATOM 482 OD2 ASP A 30 -2.384 10.359 6.012 1.00 0.00 O ATOM 0 H ASP A 30 0.087 9.894 3.414 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.645 9.836 2.471 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.361 12.218 3.782 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.990 11.596 3.960 1.00 0.00 H new ATOM 487 N SER A 31 -2.733 11.711 0.755 1.00 0.00 N ATOM 488 CA SER A 31 -2.709 12.575 -0.420 1.00 0.00 C ATOM 489 C SER A 31 -3.380 13.914 -0.131 1.00 0.00 C ATOM 490 O SER A 31 -4.293 14.000 0.689 1.00 0.00 O ATOM 491 CB SER A 31 -3.396 11.888 -1.602 1.00 0.00 C ATOM 492 OG SER A 31 -2.605 11.980 -2.774 1.00 0.00 O ATOM 0 H SER A 31 -3.663 11.399 1.033 1.00 0.00 H new ATOM 0 HA SER A 31 -1.666 12.763 -0.676 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.577 10.840 -1.363 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.369 12.347 -1.779 1.00 0.00 H new ATOM 0 HG SER A 31 -3.065 11.532 -3.515 1.00 0.00 H new ATOM 498 N GLU A 32 -2.917 14.957 -0.813 1.00 0.00 N ATOM 499 CA GLU A 32 -3.468 16.295 -0.634 1.00 0.00 C ATOM 500 C GLU A 32 -4.643 16.533 -1.578 1.00 0.00 C ATOM 501 O GLU A 32 -5.552 17.304 -1.271 1.00 0.00 O ATOM 502 CB GLU A 32 -2.385 17.349 -0.875 1.00 0.00 C ATOM 503 CG GLU A 32 -1.059 17.021 -0.205 1.00 0.00 C ATOM 504 CD GLU A 32 0.098 16.985 -1.184 1.00 0.00 C ATOM 505 OE1 GLU A 32 0.231 17.937 -1.981 1.00 0.00 O ATOM 506 OE2 GLU A 32 0.872 16.005 -1.153 1.00 0.00 O ATOM 0 H GLU A 32 -2.161 14.901 -1.495 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.828 16.378 0.391 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.224 17.455 -1.948 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.739 18.313 -0.509 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.853 17.763 0.567 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.138 16.055 0.294 1.00 0.00 H new ATOM 513 N SER A 33 -4.617 15.867 -2.730 1.00 0.00 N ATOM 514 CA SER A 33 -5.680 16.006 -3.721 1.00 0.00 C ATOM 515 C SER A 33 -7.053 15.776 -3.095 1.00 0.00 C ATOM 516 O SER A 33 -8.052 16.341 -3.541 1.00 0.00 O ATOM 517 CB SER A 33 -5.461 15.022 -4.873 1.00 0.00 C ATOM 518 OG SER A 33 -5.373 13.690 -4.397 1.00 0.00 O ATOM 0 H SER A 33 -3.871 15.226 -3.000 1.00 0.00 H new ATOM 0 HA SER A 33 -5.648 17.025 -4.107 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.282 15.103 -5.586 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.547 15.281 -5.408 1.00 0.00 H new ATOM 0 HG SER A 33 -5.235 13.081 -5.152 1.00 0.00 H new ATOM 524 N SER A 34 -7.096 14.944 -2.059 1.00 0.00 N ATOM 525 CA SER A 34 -8.346 14.642 -1.372 1.00 0.00 C ATOM 526 C SER A 34 -8.117 14.479 0.129 1.00 0.00 C ATOM 527 O SER A 34 -7.018 14.133 0.563 1.00 0.00 O ATOM 528 CB SER A 34 -8.975 13.371 -1.948 1.00 0.00 C ATOM 529 OG SER A 34 -9.992 13.684 -2.884 1.00 0.00 O ATOM 0 H SER A 34 -6.279 14.467 -1.677 1.00 0.00 H new ATOM 0 HA SER A 34 -9.029 15.478 -1.527 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.206 12.767 -2.430 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.392 12.770 -1.140 1.00 0.00 H new ATOM 0 HG SER A 34 -10.377 12.855 -3.238 1.00 0.00 H new ATOM 535 N PRO A 35 -9.156 14.728 0.944 1.00 0.00 N ATOM 536 CA PRO A 35 -9.062 14.608 2.403 1.00 0.00 C ATOM 537 C PRO A 35 -8.934 13.158 2.858 1.00 0.00 C ATOM 538 O PRO A 35 -8.251 12.863 3.839 1.00 0.00 O ATOM 539 CB PRO A 35 -10.380 15.209 2.896 1.00 0.00 C ATOM 540 CG PRO A 35 -11.327 15.026 1.761 1.00 0.00 C ATOM 541 CD PRO A 35 -10.502 15.147 0.509 1.00 0.00 C ATOM 0 HA PRO A 35 -8.177 15.109 2.796 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -10.735 14.702 3.793 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -10.264 16.263 3.149 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -11.816 14.053 1.814 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -12.114 15.780 1.784 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.884 14.508 -0.287 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -10.501 16.167 0.126 1.00 0.00 H new ATOM 549 N SER A 36 -9.595 12.258 2.139 1.00 0.00 N ATOM 550 CA SER A 36 -9.556 10.837 2.467 1.00 0.00 C ATOM 551 C SER A 36 -8.923 10.039 1.331 1.00 0.00 C ATOM 552 O SER A 36 -9.538 9.123 0.782 1.00 0.00 O ATOM 553 CB SER A 36 -10.967 10.319 2.750 1.00 0.00 C ATOM 554 OG SER A 36 -11.596 11.083 3.765 1.00 0.00 O ATOM 0 H SER A 36 -10.165 12.487 1.325 1.00 0.00 H new ATOM 0 HA SER A 36 -8.947 10.709 3.362 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.563 10.360 1.838 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.920 9.273 3.054 1.00 0.00 H new ATOM 0 HG SER A 36 -12.497 10.733 3.927 1.00 0.00 H new ATOM 560 N ASP A 37 -7.692 10.394 0.982 1.00 0.00 N ATOM 561 CA ASP A 37 -6.975 9.715 -0.089 1.00 0.00 C ATOM 562 C ASP A 37 -5.726 9.022 0.444 1.00 0.00 C ATOM 563 O ASP A 37 -4.979 9.592 1.239 1.00 0.00 O ATOM 564 CB ASP A 37 -6.591 10.712 -1.181 1.00 0.00 C ATOM 565 CG ASP A 37 -6.483 10.062 -2.546 1.00 0.00 C ATOM 566 OD1 ASP A 37 -5.509 9.312 -2.771 1.00 0.00 O ATOM 567 OD2 ASP A 37 -7.371 10.303 -3.391 1.00 0.00 O ATOM 0 H ASP A 37 -7.170 11.149 1.426 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.635 8.957 -0.511 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.334 11.509 -1.219 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.638 11.176 -0.926 1.00 0.00 H new ATOM 572 N PHE A 38 -5.506 7.790 0.000 1.00 0.00 N ATOM 573 CA PHE A 38 -4.349 7.016 0.430 1.00 0.00 C ATOM 574 C PHE A 38 -3.796 6.180 -0.721 1.00 0.00 C ATOM 575 O PHE A 38 -4.549 5.619 -1.513 1.00 0.00 O ATOM 576 CB PHE A 38 -4.725 6.117 1.608 1.00 0.00 C ATOM 577 CG PHE A 38 -5.157 6.888 2.824 1.00 0.00 C ATOM 578 CD1 PHE A 38 -4.250 7.673 3.517 1.00 0.00 C ATOM 579 CD2 PHE A 38 -6.468 6.832 3.271 1.00 0.00 C ATOM 580 CE1 PHE A 38 -4.641 8.388 4.633 1.00 0.00 C ATOM 581 CE2 PHE A 38 -6.865 7.546 4.386 1.00 0.00 C ATOM 582 CZ PHE A 38 -5.950 8.324 5.068 1.00 0.00 C ATOM 0 H PHE A 38 -6.115 7.305 -0.659 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.571 7.710 0.750 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.530 5.448 1.304 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.871 5.491 1.867 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.225 7.727 3.181 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -7.187 6.224 2.742 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.924 8.996 5.164 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -7.890 7.496 4.724 1.00 0.00 H new ATOM 0 HZ PHE A 38 -6.258 8.881 5.940 1.00 0.00 H new ATOM 592 N SER A 39 -2.474 6.117 -0.815 1.00 0.00 N ATOM 593 CA SER A 39 -1.810 5.363 -1.875 1.00 0.00 C ATOM 594 C SER A 39 -0.749 4.437 -1.312 1.00 0.00 C ATOM 595 O SER A 39 -0.030 4.814 -0.394 1.00 0.00 O ATOM 596 CB SER A 39 -1.120 6.313 -2.832 1.00 0.00 C ATOM 597 OG SER A 39 -1.218 5.863 -4.173 1.00 0.00 O ATOM 0 H SER A 39 -1.836 6.581 -0.168 1.00 0.00 H new ATOM 0 HA SER A 39 -2.577 4.780 -2.384 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.565 7.304 -2.746 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.070 6.410 -2.556 1.00 0.00 H new ATOM 0 HG SER A 39 -1.413 4.903 -4.182 1.00 0.00 H new ATOM 603 N VAL A 40 -0.614 3.248 -1.887 1.00 0.00 N ATOM 604 CA VAL A 40 0.407 2.320 -1.430 1.00 0.00 C ATOM 605 C VAL A 40 0.974 1.487 -2.583 1.00 0.00 C ATOM 606 O VAL A 40 0.244 1.044 -3.470 1.00 0.00 O ATOM 607 CB VAL A 40 -0.119 1.424 -0.292 1.00 0.00 C ATOM 608 CG1 VAL A 40 -1.455 0.797 -0.650 1.00 0.00 C ATOM 609 CG2 VAL A 40 0.895 0.366 0.095 1.00 0.00 C ATOM 0 H VAL A 40 -1.190 2.910 -2.658 1.00 0.00 H new ATOM 0 HA VAL A 40 1.228 2.914 -1.029 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.277 2.064 0.576 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.796 0.172 0.175 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.187 1.583 -0.837 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.342 0.186 -1.546 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.491 -0.248 0.900 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.111 -0.264 -0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.813 0.848 0.432 1.00 0.00 H new ATOM 619 N SER A 41 2.299 1.317 -2.568 1.00 0.00 N ATOM 620 CA SER A 41 3.010 0.581 -3.615 1.00 0.00 C ATOM 621 C SER A 41 3.808 -0.602 -3.057 1.00 0.00 C ATOM 622 O SER A 41 4.441 -0.496 -1.995 1.00 0.00 O ATOM 623 CB SER A 41 3.944 1.522 -4.376 1.00 0.00 C ATOM 624 OG SER A 41 3.525 2.870 -4.248 1.00 0.00 O ATOM 0 H SER A 41 2.905 1.684 -1.834 1.00 0.00 H new ATOM 0 HA SER A 41 2.257 0.178 -4.292 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.960 1.416 -3.996 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.967 1.243 -5.430 1.00 0.00 H new ATOM 0 HG SER A 41 4.140 3.452 -4.742 1.00 0.00 H new ATOM 630 N LEU A 42 3.762 -1.728 -3.790 1.00 0.00 N ATOM 631 CA LEU A 42 4.473 -2.953 -3.408 1.00 0.00 C ATOM 632 C LEU A 42 5.301 -3.502 -4.560 1.00 0.00 C ATOM 633 O LEU A 42 5.035 -3.218 -5.728 1.00 0.00 O ATOM 634 CB LEU A 42 3.501 -4.050 -2.976 1.00 0.00 C ATOM 635 CG LEU A 42 4.135 -5.198 -2.202 1.00 0.00 C ATOM 636 CD1 LEU A 42 4.686 -4.679 -0.892 1.00 0.00 C ATOM 637 CD2 LEU A 42 3.119 -6.300 -1.951 1.00 0.00 C ATOM 0 H LEU A 42 3.233 -1.811 -4.658 1.00 0.00 H new ATOM 0 HA LEU A 42 5.124 -2.678 -2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.721 -3.603 -2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.014 -4.454 -3.863 1.00 0.00 H new ATOM 0 HG LEU A 42 4.949 -5.618 -2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.140 -5.500 -0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.438 -3.916 -1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.877 -4.247 -0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.591 -7.111 -1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.286 -5.902 -1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.750 -6.679 -2.904 1.00 0.00 H new ATOM 649 N LYS A 43 6.287 -4.322 -4.216 1.00 0.00 N ATOM 650 CA LYS A 43 7.141 -4.958 -5.209 1.00 0.00 C ATOM 651 C LYS A 43 6.515 -6.271 -5.673 1.00 0.00 C ATOM 652 O LYS A 43 5.810 -6.932 -4.911 1.00 0.00 O ATOM 653 CB LYS A 43 8.530 -5.228 -4.626 1.00 0.00 C ATOM 654 CG LYS A 43 8.513 -6.081 -3.364 1.00 0.00 C ATOM 655 CD LYS A 43 8.601 -7.568 -3.684 1.00 0.00 C ATOM 656 CE LYS A 43 9.991 -7.960 -4.157 1.00 0.00 C ATOM 657 NZ LYS A 43 9.983 -8.443 -5.566 1.00 0.00 N ATOM 0 H LYS A 43 6.515 -4.562 -3.251 1.00 0.00 H new ATOM 0 HA LYS A 43 7.241 -4.285 -6.061 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.140 -5.725 -5.381 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.011 -4.276 -4.403 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.347 -5.797 -2.723 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.599 -5.883 -2.804 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.342 -8.147 -2.798 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.871 -7.818 -4.453 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.659 -7.103 -4.071 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.389 -8.740 -3.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.883 -8.193 -6.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.864 -9.476 -5.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.197 -7.998 -6.081 1.00 0.00 H new ATOM 671 N ALA A 44 6.781 -6.652 -6.916 1.00 0.00 N ATOM 672 CA ALA A 44 6.248 -7.894 -7.462 1.00 0.00 C ATOM 673 C ALA A 44 7.364 -8.724 -8.079 1.00 0.00 C ATOM 674 O ALA A 44 8.537 -8.360 -7.984 1.00 0.00 O ATOM 675 CB ALA A 44 5.164 -7.601 -8.491 1.00 0.00 C ATOM 0 H ALA A 44 7.362 -6.120 -7.564 1.00 0.00 H new ATOM 0 HA ALA A 44 5.802 -8.468 -6.649 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.777 -8.539 -8.889 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.354 -7.046 -8.018 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.584 -7.008 -9.304 1.00 0.00 H new ATOM 681 N SER A 45 7.004 -9.833 -8.715 1.00 0.00 N ATOM 682 CA SER A 45 7.997 -10.691 -9.346 1.00 0.00 C ATOM 683 C SER A 45 8.682 -9.945 -10.486 1.00 0.00 C ATOM 684 O SER A 45 8.330 -10.113 -11.654 1.00 0.00 O ATOM 685 CB SER A 45 7.341 -11.969 -9.873 1.00 0.00 C ATOM 686 OG SER A 45 7.292 -12.968 -8.869 1.00 0.00 O ATOM 0 H SER A 45 6.041 -10.156 -8.807 1.00 0.00 H new ATOM 0 HA SER A 45 8.744 -10.966 -8.602 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.332 -11.747 -10.219 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.899 -12.340 -10.733 1.00 0.00 H new ATOM 0 HG SER A 45 6.867 -13.774 -9.230 1.00 0.00 H new ATOM 692 N GLY A 46 9.654 -9.109 -10.132 1.00 0.00 N ATOM 693 CA GLY A 46 10.373 -8.330 -11.124 1.00 0.00 C ATOM 694 C GLY A 46 9.632 -7.074 -11.539 1.00 0.00 C ATOM 695 O GLY A 46 10.228 -6.136 -12.069 1.00 0.00 O ATOM 0 H GLY A 46 9.958 -8.957 -9.170 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.349 -8.055 -10.725 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.552 -8.948 -12.004 1.00 0.00 H new ATOM 699 N LYS A 47 8.332 -7.058 -11.293 1.00 0.00 N ATOM 700 CA LYS A 47 7.490 -5.917 -11.633 1.00 0.00 C ATOM 701 C LYS A 47 7.027 -5.185 -10.377 1.00 0.00 C ATOM 702 O LYS A 47 7.103 -5.722 -9.273 1.00 0.00 O ATOM 703 CB LYS A 47 6.279 -6.378 -12.449 1.00 0.00 C ATOM 704 CG LYS A 47 6.069 -5.582 -13.728 1.00 0.00 C ATOM 705 CD LYS A 47 4.814 -4.726 -13.655 1.00 0.00 C ATOM 706 CE LYS A 47 3.565 -5.545 -13.939 1.00 0.00 C ATOM 707 NZ LYS A 47 3.518 -6.015 -15.350 1.00 0.00 N ATOM 0 H LYS A 47 7.830 -7.830 -10.854 1.00 0.00 H new ATOM 0 HA LYS A 47 8.082 -5.226 -12.233 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.401 -7.431 -12.702 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.384 -6.300 -11.831 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.935 -4.945 -13.907 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.996 -6.265 -14.574 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.737 -4.274 -12.666 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.887 -3.910 -14.374 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.534 -6.404 -13.269 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.681 -4.944 -13.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.537 -6.247 -15.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.872 -5.265 -15.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.112 -6.862 -15.454 1.00 0.00 H new ATOM 721 N ASN A 48 6.534 -3.963 -10.553 1.00 0.00 N ATOM 722 CA ASN A 48 6.042 -3.168 -9.430 1.00 0.00 C ATOM 723 C ASN A 48 4.522 -3.062 -9.474 1.00 0.00 C ATOM 724 O ASN A 48 3.947 -2.637 -10.476 1.00 0.00 O ATOM 725 CB ASN A 48 6.662 -1.765 -9.429 1.00 0.00 C ATOM 726 CG ASN A 48 7.024 -1.276 -10.820 1.00 0.00 C ATOM 727 OD1 ASN A 48 6.437 -1.705 -11.814 1.00 0.00 O ATOM 728 ND2 ASN A 48 7.995 -0.374 -10.895 1.00 0.00 N ATOM 0 H ASN A 48 6.464 -3.501 -11.460 1.00 0.00 H new ATOM 0 HA ASN A 48 6.337 -3.675 -8.512 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.962 -1.064 -8.974 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.557 -1.770 -8.807 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.282 -0.008 -11.803 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.454 -0.047 -10.045 1.00 0.00 H new ATOM 735 N LYS A 49 3.877 -3.459 -8.382 1.00 0.00 N ATOM 736 CA LYS A 49 2.421 -3.417 -8.293 1.00 0.00 C ATOM 737 C LYS A 49 1.947 -2.095 -7.692 1.00 0.00 C ATOM 738 O LYS A 49 2.108 -1.853 -6.496 1.00 0.00 O ATOM 739 CB LYS A 49 1.912 -4.589 -7.453 1.00 0.00 C ATOM 740 CG LYS A 49 2.638 -5.897 -7.730 1.00 0.00 C ATOM 741 CD LYS A 49 1.681 -7.077 -7.724 1.00 0.00 C ATOM 742 CE LYS A 49 1.206 -7.416 -9.128 1.00 0.00 C ATOM 743 NZ LYS A 49 -0.165 -7.996 -9.126 1.00 0.00 N ATOM 0 H LYS A 49 4.340 -3.814 -7.545 1.00 0.00 H new ATOM 0 HA LYS A 49 2.015 -3.497 -9.302 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.018 -4.341 -6.397 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.848 -4.726 -7.643 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.139 -5.839 -8.696 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.412 -6.051 -6.978 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.174 -7.945 -7.286 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.822 -6.847 -7.094 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.218 -6.516 -9.743 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.899 -8.123 -9.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.451 -8.213 -10.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.172 -8.869 -8.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.831 -7.312 -8.714 1.00 0.00 H new ATOM 757 N HIS A 50 1.362 -1.244 -8.531 1.00 0.00 N ATOM 758 CA HIS A 50 0.864 0.054 -8.086 1.00 0.00 C ATOM 759 C HIS A 50 -0.572 -0.057 -7.583 1.00 0.00 C ATOM 760 O HIS A 50 -1.365 -0.839 -8.108 1.00 0.00 O ATOM 761 CB HIS A 50 0.935 1.069 -9.229 1.00 0.00 C ATOM 762 CG HIS A 50 1.212 2.468 -8.774 1.00 0.00 C ATOM 763 ND1 HIS A 50 2.417 3.104 -8.987 1.00 0.00 N ATOM 764 CD2 HIS A 50 0.429 3.359 -8.120 1.00 0.00 C ATOM 765 CE1 HIS A 50 2.364 4.324 -8.482 1.00 0.00 C ATOM 766 NE2 HIS A 50 1.169 4.504 -7.951 1.00 0.00 N ATOM 0 H HIS A 50 1.221 -1.431 -9.524 1.00 0.00 H new ATOM 0 HA HIS A 50 1.494 0.394 -7.264 1.00 0.00 H new ATOM 0 HB2 HIS A 50 1.714 0.763 -9.928 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -0.008 1.054 -9.776 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -0.588 3.199 -7.792 1.00 0.00 H new ATOM 0 HE1 HIS A 50 3.163 5.051 -8.501 1.00 0.00 H new ATOM 0 HE2 HIS A 50 0.847 5.355 -7.490 1.00 0.00 H new ATOM 775 N PHE A 51 -0.903 0.730 -6.563 1.00 0.00 N ATOM 776 CA PHE A 51 -2.247 0.713 -5.996 1.00 0.00 C ATOM 777 C PHE A 51 -2.638 2.083 -5.451 1.00 0.00 C ATOM 778 O PHE A 51 -1.863 2.727 -4.743 1.00 0.00 O ATOM 779 CB PHE A 51 -2.341 -0.331 -4.885 1.00 0.00 C ATOM 780 CG PHE A 51 -1.842 -1.686 -5.291 1.00 0.00 C ATOM 781 CD1 PHE A 51 -2.641 -2.540 -6.035 1.00 0.00 C ATOM 782 CD2 PHE A 51 -0.575 -2.107 -4.927 1.00 0.00 C ATOM 783 CE1 PHE A 51 -2.183 -3.790 -6.408 1.00 0.00 C ATOM 784 CE2 PHE A 51 -0.111 -3.355 -5.295 1.00 0.00 C ATOM 785 CZ PHE A 51 -0.916 -4.198 -6.037 1.00 0.00 C ATOM 0 H PHE A 51 -0.262 1.384 -6.114 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.940 0.453 -6.796 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.769 0.015 -4.024 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -3.379 -0.416 -4.565 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.632 -2.225 -6.327 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.059 -1.452 -4.348 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.814 -4.446 -6.988 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.880 -3.671 -5.003 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.556 -5.174 -6.326 1.00 0.00 H new ATOM 795 N LYS A 52 -3.852 2.514 -5.780 1.00 0.00 N ATOM 796 CA LYS A 52 -4.361 3.800 -5.320 1.00 0.00 C ATOM 797 C LYS A 52 -5.637 3.610 -4.509 1.00 0.00 C ATOM 798 O LYS A 52 -6.591 2.987 -4.974 1.00 0.00 O ATOM 799 CB LYS A 52 -4.639 4.720 -6.509 1.00 0.00 C ATOM 800 CG LYS A 52 -4.287 6.176 -6.251 1.00 0.00 C ATOM 801 CD LYS A 52 -4.320 6.991 -7.535 1.00 0.00 C ATOM 802 CE LYS A 52 -3.148 7.956 -7.614 1.00 0.00 C ATOM 803 NZ LYS A 52 -3.522 9.323 -7.157 1.00 0.00 N ATOM 0 H LYS A 52 -4.502 1.989 -6.365 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.603 4.259 -4.685 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.073 4.366 -7.371 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.695 4.652 -6.771 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.988 6.599 -5.531 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.295 6.238 -5.804 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.298 6.320 -8.394 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.255 7.548 -7.589 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.327 7.581 -7.003 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.785 8.003 -8.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.696 9.950 -7.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.288 9.692 -7.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.844 9.283 -6.169 1.00 0.00 H new ATOM 817 N VAL A 53 -5.652 4.151 -3.298 1.00 0.00 N ATOM 818 CA VAL A 53 -6.819 4.036 -2.432 1.00 0.00 C ATOM 819 C VAL A 53 -7.549 5.372 -2.317 1.00 0.00 C ATOM 820 O VAL A 53 -7.048 6.315 -1.707 1.00 0.00 O ATOM 821 CB VAL A 53 -6.431 3.540 -1.024 1.00 0.00 C ATOM 822 CG1 VAL A 53 -7.669 3.209 -0.209 1.00 0.00 C ATOM 823 CG2 VAL A 53 -5.516 2.330 -1.118 1.00 0.00 C ATOM 0 H VAL A 53 -4.873 4.672 -2.894 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.484 3.303 -2.889 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.893 4.341 -0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.371 2.861 0.780 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.288 4.101 -0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.238 2.427 -0.712 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.253 1.994 -0.115 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.029 1.526 -1.647 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.610 2.600 -1.660 1.00 0.00 H new ATOM 833 N GLN A 54 -8.735 5.446 -2.916 1.00 0.00 N ATOM 834 CA GLN A 54 -9.536 6.667 -2.891 1.00 0.00 C ATOM 835 C GLN A 54 -10.929 6.412 -2.319 1.00 0.00 C ATOM 836 O GLN A 54 -11.512 5.348 -2.522 1.00 0.00 O ATOM 837 CB GLN A 54 -9.648 7.253 -4.300 1.00 0.00 C ATOM 838 CG GLN A 54 -9.976 8.736 -4.318 1.00 0.00 C ATOM 839 CD GLN A 54 -11.420 9.017 -3.952 1.00 0.00 C ATOM 840 OE1 GLN A 54 -11.701 9.706 -2.971 1.00 0.00 O ATOM 841 NE2 GLN A 54 -12.344 8.481 -4.740 1.00 0.00 N ATOM 0 H GLN A 54 -9.163 4.673 -3.426 1.00 0.00 H new ATOM 0 HA GLN A 54 -9.032 7.382 -2.241 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.708 7.091 -4.828 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.419 6.712 -4.849 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.320 9.258 -3.621 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.772 9.138 -5.310 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -12.065 7.917 -5.543 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -13.333 8.634 -4.543 1.00 0.00 H new ATOM 850 N LEU A 55 -11.457 7.402 -1.606 1.00 0.00 N ATOM 851 CA LEU A 55 -12.778 7.303 -1.003 1.00 0.00 C ATOM 852 C LEU A 55 -13.857 7.704 -2.015 1.00 0.00 C ATOM 853 O LEU A 55 -13.976 8.868 -2.389 1.00 0.00 O ATOM 854 CB LEU A 55 -12.810 8.167 0.279 1.00 0.00 C ATOM 855 CG LEU A 55 -14.000 9.121 0.485 1.00 0.00 C ATOM 856 CD1 LEU A 55 -13.829 10.381 -0.347 1.00 0.00 C ATOM 857 CD2 LEU A 55 -15.327 8.437 0.179 1.00 0.00 C ATOM 0 H LEU A 55 -10.984 8.289 -1.432 1.00 0.00 H new ATOM 0 HA LEU A 55 -12.990 6.272 -0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.771 7.493 1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.898 8.763 0.301 1.00 0.00 H new ATOM 0 HG LEU A 55 -14.018 9.407 1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.681 11.041 -0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -12.913 10.892 -0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.770 10.115 -1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -16.144 9.141 0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.332 8.100 -0.858 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -15.455 7.580 0.840 1.00 0.00 H new ATOM 869 N VAL A 56 -14.628 6.718 -2.470 1.00 0.00 N ATOM 870 CA VAL A 56 -15.684 6.959 -3.446 1.00 0.00 C ATOM 871 C VAL A 56 -17.075 6.776 -2.836 1.00 0.00 C ATOM 872 O VAL A 56 -17.328 5.802 -2.134 1.00 0.00 O ATOM 873 CB VAL A 56 -15.534 6.025 -4.667 1.00 0.00 C ATOM 874 CG1 VAL A 56 -16.756 5.134 -4.821 1.00 0.00 C ATOM 875 CG2 VAL A 56 -15.291 6.833 -5.934 1.00 0.00 C ATOM 0 H VAL A 56 -14.540 5.745 -2.177 1.00 0.00 H new ATOM 0 HA VAL A 56 -15.582 7.995 -3.769 1.00 0.00 H new ATOM 0 HB VAL A 56 -14.669 5.384 -4.500 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -16.627 4.486 -5.688 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -16.877 4.524 -3.926 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -17.642 5.753 -4.960 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -15.188 6.157 -6.783 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -16.133 7.504 -6.105 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -14.378 7.418 -5.823 1.00 0.00 H new ATOM 885 N ASP A 57 -17.975 7.705 -3.149 1.00 0.00 N ATOM 886 CA ASP A 57 -19.362 7.661 -2.672 1.00 0.00 C ATOM 887 C ASP A 57 -19.473 7.063 -1.269 1.00 0.00 C ATOM 888 O ASP A 57 -20.157 6.059 -1.063 1.00 0.00 O ATOM 889 CB ASP A 57 -20.226 6.859 -3.649 1.00 0.00 C ATOM 890 CG ASP A 57 -21.699 6.902 -3.289 1.00 0.00 C ATOM 891 OD1 ASP A 57 -22.394 7.836 -3.742 1.00 0.00 O ATOM 892 OD2 ASP A 57 -22.157 6.001 -2.556 1.00 0.00 O ATOM 0 H ASP A 57 -17.767 8.510 -3.740 1.00 0.00 H new ATOM 0 HA ASP A 57 -19.720 8.689 -2.619 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -20.090 7.251 -4.657 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -19.888 5.823 -3.662 1.00 0.00 H new ATOM 897 N ASN A 58 -18.799 7.682 -0.308 1.00 0.00 N ATOM 898 CA ASN A 58 -18.829 7.205 1.072 1.00 0.00 C ATOM 899 C ASN A 58 -18.286 5.782 1.162 1.00 0.00 C ATOM 900 O ASN A 58 -18.677 5.007 2.036 1.00 0.00 O ATOM 901 CB ASN A 58 -20.256 7.254 1.621 1.00 0.00 C ATOM 902 CG ASN A 58 -20.320 6.925 3.100 1.00 0.00 C ATOM 903 OD1 ASN A 58 -20.756 5.712 3.419 1.00 0.00 O flip ATOM 904 ND2 ASN A 58 -19.981 7.752 3.947 1.00 0.00 N flip ATOM 0 H ASN A 58 -18.226 8.513 -0.456 1.00 0.00 H new ATOM 0 HA ASN A 58 -18.196 7.858 1.672 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -20.672 8.248 1.455 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -20.879 6.551 1.068 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -19.652 8.673 3.657 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -20.029 7.516 4.938 1.00 0.00 H new ATOM 911 N VAL A 59 -17.381 5.451 0.250 1.00 0.00 N ATOM 912 CA VAL A 59 -16.770 4.131 0.208 1.00 0.00 C ATOM 913 C VAL A 59 -15.253 4.253 0.167 1.00 0.00 C ATOM 914 O VAL A 59 -14.716 5.345 0.013 1.00 0.00 O ATOM 915 CB VAL A 59 -17.275 3.302 -1.002 1.00 0.00 C ATOM 916 CG1 VAL A 59 -16.201 3.146 -2.073 1.00 0.00 C ATOM 917 CG2 VAL A 59 -17.770 1.938 -0.543 1.00 0.00 C ATOM 0 H VAL A 59 -17.052 6.086 -0.477 1.00 0.00 H new ATOM 0 HA VAL A 59 -17.063 3.603 1.115 1.00 0.00 H new ATOM 0 HB VAL A 59 -18.105 3.849 -1.449 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -16.596 2.559 -2.902 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -15.902 4.130 -2.435 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -15.335 2.637 -1.649 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -18.121 1.369 -1.404 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -16.955 1.399 -0.060 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -18.589 2.067 0.164 1.00 0.00 H new ATOM 927 N TYR A 60 -14.566 3.132 0.309 1.00 0.00 N ATOM 928 CA TYR A 60 -13.111 3.130 0.290 1.00 0.00 C ATOM 929 C TYR A 60 -12.588 2.215 -0.812 1.00 0.00 C ATOM 930 O TYR A 60 -12.586 0.992 -0.673 1.00 0.00 O ATOM 931 CB TYR A 60 -12.581 2.697 1.651 1.00 0.00 C ATOM 932 CG TYR A 60 -13.287 3.369 2.810 1.00 0.00 C ATOM 933 CD1 TYR A 60 -13.010 4.687 3.151 1.00 0.00 C ATOM 934 CD2 TYR A 60 -14.234 2.685 3.560 1.00 0.00 C ATOM 935 CE1 TYR A 60 -13.655 5.302 4.207 1.00 0.00 C ATOM 936 CE2 TYR A 60 -14.884 3.293 4.617 1.00 0.00 C ATOM 937 CZ TYR A 60 -14.591 4.601 4.937 1.00 0.00 C ATOM 938 OH TYR A 60 -15.236 5.210 5.988 1.00 0.00 O ATOM 0 H TYR A 60 -14.990 2.213 0.438 1.00 0.00 H new ATOM 0 HA TYR A 60 -12.758 4.140 0.080 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -12.687 1.616 1.747 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -11.515 2.919 1.706 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.278 5.240 2.581 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -14.467 1.660 3.313 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -13.427 6.327 4.459 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -15.618 2.746 5.190 1.00 0.00 H new ATOM 0 HH TYR A 60 -15.865 4.579 6.396 1.00 0.00 H new ATOM 948 N CYS A 61 -12.167 2.820 -1.918 1.00 0.00 N ATOM 949 CA CYS A 61 -11.668 2.071 -3.066 1.00 0.00 C ATOM 950 C CYS A 61 -10.145 1.948 -3.059 1.00 0.00 C ATOM 951 O CYS A 61 -9.444 2.821 -2.553 1.00 0.00 O ATOM 952 CB CYS A 61 -12.146 2.745 -4.362 1.00 0.00 C ATOM 953 SG CYS A 61 -11.023 3.995 -5.042 1.00 0.00 S ATOM 0 H CYS A 61 -12.162 3.832 -2.044 1.00 0.00 H new ATOM 0 HA CYS A 61 -12.067 1.059 -3.006 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.305 1.974 -5.116 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -13.113 3.212 -4.174 1.00 0.00 H new ATOM 0 HG CYS A 61 -10.946 5.001 -4.222 1.00 0.00 H new ATOM 959 N ILE A 62 -9.651 0.865 -3.658 1.00 0.00 N ATOM 960 CA ILE A 62 -8.213 0.614 -3.767 1.00 0.00 C ATOM 961 C ILE A 62 -7.889 0.061 -5.147 1.00 0.00 C ATOM 962 O ILE A 62 -8.617 -0.780 -5.672 1.00 0.00 O ATOM 963 CB ILE A 62 -7.698 -0.377 -2.701 1.00 0.00 C ATOM 964 CG1 ILE A 62 -8.142 0.059 -1.308 1.00 0.00 C ATOM 965 CG2 ILE A 62 -6.174 -0.490 -2.760 1.00 0.00 C ATOM 966 CD1 ILE A 62 -8.082 -1.053 -0.288 1.00 0.00 C ATOM 0 H ILE A 62 -10.232 0.140 -4.079 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.714 1.569 -3.604 1.00 0.00 H new ATOM 0 HB ILE A 62 -8.125 -1.357 -2.912 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -7.512 0.883 -0.974 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.162 0.439 -1.362 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.832 -1.193 -2.001 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.873 -0.845 -3.746 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -5.729 0.488 -2.576 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.410 -0.676 0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -8.734 -1.869 -0.600 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -7.058 -1.418 -0.207 1.00 0.00 H new ATOM 978 N GLY A 63 -6.800 0.541 -5.732 1.00 0.00 N ATOM 979 CA GLY A 63 -6.405 0.088 -7.056 1.00 0.00 C ATOM 980 C GLY A 63 -7.518 0.252 -8.077 1.00 0.00 C ATOM 981 O GLY A 63 -7.599 1.274 -8.759 1.00 0.00 O ATOM 0 H GLY A 63 -6.181 1.236 -5.315 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.529 0.649 -7.383 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.112 -0.961 -7.006 1.00 0.00 H new ATOM 985 N GLN A 64 -8.380 -0.756 -8.175 1.00 0.00 N ATOM 986 CA GLN A 64 -9.500 -0.724 -9.110 1.00 0.00 C ATOM 987 C GLN A 64 -10.694 -1.490 -8.543 1.00 0.00 C ATOM 988 O GLN A 64 -11.389 -2.204 -9.265 1.00 0.00 O ATOM 989 CB GLN A 64 -9.084 -1.319 -10.457 1.00 0.00 C ATOM 990 CG GLN A 64 -8.348 -0.336 -11.353 1.00 0.00 C ATOM 991 CD GLN A 64 -9.193 0.872 -11.707 1.00 0.00 C ATOM 992 OE1 GLN A 64 -8.856 2.004 -11.358 1.00 0.00 O ATOM 993 NE2 GLN A 64 -10.298 0.636 -12.404 1.00 0.00 N ATOM 0 H GLN A 64 -8.324 -1.608 -7.616 1.00 0.00 H new ATOM 0 HA GLN A 64 -9.794 0.315 -9.260 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -8.447 -2.185 -10.281 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -9.973 -1.677 -10.977 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.438 -0.005 -10.853 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -8.042 -0.842 -12.269 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -10.538 -0.319 -12.672 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -10.907 1.409 -12.672 1.00 0.00 H new ATOM 1002 N ARG A 65 -10.917 -1.337 -7.240 1.00 0.00 N ATOM 1003 CA ARG A 65 -12.016 -2.012 -6.555 1.00 0.00 C ATOM 1004 C ARG A 65 -12.543 -1.153 -5.407 1.00 0.00 C ATOM 1005 O ARG A 65 -11.913 -0.169 -5.022 1.00 0.00 O ATOM 1006 CB ARG A 65 -11.559 -3.372 -6.024 1.00 0.00 C ATOM 1007 CG ARG A 65 -11.462 -4.442 -7.102 1.00 0.00 C ATOM 1008 CD ARG A 65 -12.299 -5.666 -6.762 1.00 0.00 C ATOM 1009 NE ARG A 65 -13.272 -5.971 -7.809 1.00 0.00 N ATOM 1010 CZ ARG A 65 -14.433 -5.335 -7.953 1.00 0.00 C ATOM 1011 NH1 ARG A 65 -14.772 -4.358 -7.122 1.00 0.00 N ATOM 1012 NH2 ARG A 65 -15.256 -5.677 -8.934 1.00 0.00 N ATOM 0 H ARG A 65 -10.347 -0.747 -6.634 1.00 0.00 H new ATOM 0 HA ARG A 65 -12.821 -2.167 -7.273 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.586 -3.259 -5.547 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -12.255 -3.705 -5.254 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.793 -4.029 -8.055 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.420 -4.738 -7.228 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.643 -6.524 -6.615 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -12.821 -5.498 -5.820 1.00 0.00 H new ATOM 0 HE ARG A 65 -13.048 -6.716 -8.469 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -14.142 -4.089 -6.366 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -15.663 -3.875 -7.239 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -15.000 -6.426 -9.577 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -16.146 -5.191 -9.046 1.00 0.00 H new ATOM 1026 N ARG A 66 -13.703 -1.522 -4.869 1.00 0.00 N ATOM 1027 CA ARG A 66 -14.308 -0.775 -3.777 1.00 0.00 C ATOM 1028 C ARG A 66 -14.385 -1.632 -2.520 1.00 0.00 C ATOM 1029 O ARG A 66 -14.821 -2.782 -2.561 1.00 0.00 O ATOM 1030 CB ARG A 66 -15.703 -0.306 -4.172 1.00 0.00 C ATOM 1031 CG ARG A 66 -15.812 0.154 -5.617 1.00 0.00 C ATOM 1032 CD ARG A 66 -14.752 1.189 -5.962 1.00 0.00 C ATOM 1033 NE ARG A 66 -14.483 1.230 -7.398 1.00 0.00 N ATOM 1034 CZ ARG A 66 -14.126 2.329 -8.060 1.00 0.00 C ATOM 1035 NH1 ARG A 66 -13.972 3.483 -7.421 1.00 0.00 N ATOM 1036 NH2 ARG A 66 -13.916 2.273 -9.368 1.00 0.00 N ATOM 0 H ARG A 66 -14.240 -2.334 -5.174 1.00 0.00 H new ATOM 0 HA ARG A 66 -13.685 0.095 -3.568 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.410 -1.119 -4.005 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -15.999 0.513 -3.517 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.711 -0.705 -6.280 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -16.802 0.576 -5.790 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -15.080 2.172 -5.625 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.831 0.959 -5.426 1.00 0.00 H new ATOM 0 HE ARG A 66 -14.574 0.362 -7.926 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -14.127 3.533 -6.414 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.698 4.319 -7.937 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.028 1.389 -9.865 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.643 3.114 -9.877 1.00 0.00 H new ATOM 1050 N PHE A 67 -13.928 -1.066 -1.409 1.00 0.00 N ATOM 1051 CA PHE A 67 -13.907 -1.772 -0.136 1.00 0.00 C ATOM 1052 C PHE A 67 -14.387 -0.882 1.009 1.00 0.00 C ATOM 1053 O PHE A 67 -14.392 0.343 0.895 1.00 0.00 O ATOM 1054 CB PHE A 67 -12.499 -2.290 0.128 1.00 0.00 C ATOM 1055 CG PHE A 67 -11.922 -3.023 -1.050 1.00 0.00 C ATOM 1056 CD1 PHE A 67 -12.563 -4.140 -1.565 1.00 0.00 C ATOM 1057 CD2 PHE A 67 -10.747 -2.596 -1.646 1.00 0.00 C ATOM 1058 CE1 PHE A 67 -12.041 -4.816 -2.652 1.00 0.00 C ATOM 1059 CE2 PHE A 67 -10.221 -3.268 -2.733 1.00 0.00 C ATOM 1060 CZ PHE A 67 -10.869 -4.379 -3.236 1.00 0.00 C ATOM 0 H PHE A 67 -13.565 -0.114 -1.366 1.00 0.00 H new ATOM 0 HA PHE A 67 -14.597 -2.614 -0.192 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -11.850 -1.452 0.383 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -12.517 -2.955 0.992 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -13.480 -4.486 -1.112 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -10.236 -1.728 -1.257 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -12.549 -5.685 -3.044 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -9.304 -2.925 -3.189 1.00 0.00 H new ATOM 0 HZ PHE A 67 -10.459 -4.905 -4.085 1.00 0.00 H new ATOM 1070 N HIS A 68 -14.803 -1.509 2.109 1.00 0.00 N ATOM 1071 CA HIS A 68 -15.300 -0.774 3.270 1.00 0.00 C ATOM 1072 C HIS A 68 -14.191 -0.518 4.286 1.00 0.00 C ATOM 1073 O HIS A 68 -14.413 -0.590 5.495 1.00 0.00 O ATOM 1074 CB HIS A 68 -16.445 -1.546 3.926 1.00 0.00 C ATOM 1075 CG HIS A 68 -16.007 -2.781 4.655 1.00 0.00 C ATOM 1076 ND1 HIS A 68 -14.749 -3.330 4.522 1.00 0.00 N ATOM 1077 CD2 HIS A 68 -16.671 -3.575 5.530 1.00 0.00 C ATOM 1078 CE1 HIS A 68 -14.658 -4.407 5.281 1.00 0.00 C ATOM 1079 NE2 HIS A 68 -15.810 -4.577 5.903 1.00 0.00 N ATOM 0 H HIS A 68 -14.805 -2.523 2.220 1.00 0.00 H new ATOM 0 HA HIS A 68 -15.666 0.193 2.924 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -16.961 -0.887 4.625 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -17.168 -1.826 3.159 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -17.688 -3.444 5.870 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -13.789 -5.041 5.377 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -16.025 -5.331 6.555 1.00 0.00 H new ATOM 1088 N THR A 69 -13.001 -0.220 3.787 1.00 0.00 N ATOM 1089 CA THR A 69 -11.853 0.046 4.647 1.00 0.00 C ATOM 1090 C THR A 69 -10.861 0.984 3.950 1.00 0.00 C ATOM 1091 O THR A 69 -10.842 1.060 2.723 1.00 0.00 O ATOM 1092 CB THR A 69 -11.193 -1.278 5.018 1.00 0.00 C ATOM 1093 OG1 THR A 69 -10.311 -1.111 6.112 1.00 0.00 O ATOM 1094 CG2 THR A 69 -10.422 -1.906 3.875 1.00 0.00 C ATOM 0 H THR A 69 -12.803 -0.156 2.789 1.00 0.00 H new ATOM 0 HA THR A 69 -12.186 0.544 5.557 1.00 0.00 H new ATOM 0 HB THR A 69 -12.012 -1.947 5.281 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.828 -0.933 6.925 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.978 -2.844 4.208 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.099 -2.099 3.043 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.634 -1.227 3.551 1.00 0.00 H new ATOM 1102 N MET A 70 -10.038 1.703 4.720 1.00 0.00 N ATOM 1103 CA MET A 70 -9.079 2.627 4.122 1.00 0.00 C ATOM 1104 C MET A 70 -8.081 3.176 5.139 1.00 0.00 C ATOM 1105 O MET A 70 -8.452 3.893 6.069 1.00 0.00 O ATOM 1106 CB MET A 70 -9.821 3.794 3.472 1.00 0.00 C ATOM 1107 CG MET A 70 -9.271 4.179 2.110 1.00 0.00 C ATOM 1108 SD MET A 70 -9.946 5.733 1.489 1.00 0.00 S ATOM 1109 CE MET A 70 -9.683 6.811 2.895 1.00 0.00 C ATOM 0 H MET A 70 -10.018 1.663 5.739 1.00 0.00 H new ATOM 0 HA MET A 70 -8.518 2.064 3.376 1.00 0.00 H new ATOM 0 HB2 MET A 70 -10.874 3.532 3.369 1.00 0.00 H new ATOM 0 HB3 MET A 70 -9.771 4.659 4.133 1.00 0.00 H new ATOM 0 HG2 MET A 70 -8.186 4.260 2.172 1.00 0.00 H new ATOM 0 HG3 MET A 70 -9.491 3.384 1.398 1.00 0.00 H new ATOM 0 HE1 MET A 70 -10.646 7.129 3.295 1.00 0.00 H new ATOM 0 HE2 MET A 70 -9.129 6.275 3.666 1.00 0.00 H new ATOM 0 HE3 MET A 70 -9.114 7.686 2.581 1.00 0.00 H new ATOM 1119 N ASP A 71 -6.806 2.853 4.931 1.00 0.00 N ATOM 1120 CA ASP A 71 -5.717 3.326 5.796 1.00 0.00 C ATOM 1121 C ASP A 71 -5.621 2.527 7.090 1.00 0.00 C ATOM 1122 O ASP A 71 -4.547 2.420 7.682 1.00 0.00 O ATOM 1123 CB ASP A 71 -5.898 4.810 6.113 1.00 0.00 C ATOM 1124 CG ASP A 71 -4.588 5.504 6.436 1.00 0.00 C ATOM 1125 OD1 ASP A 71 -3.524 4.864 6.295 1.00 0.00 O ATOM 1126 OD2 ASP A 71 -4.627 6.688 6.830 1.00 0.00 O ATOM 0 H ASP A 71 -6.495 2.259 4.162 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.785 3.180 5.249 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.366 5.305 5.262 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.579 4.916 6.958 1.00 0.00 H new ATOM 1131 N GLU A 72 -6.733 1.950 7.512 1.00 0.00 N ATOM 1132 CA GLU A 72 -6.752 1.142 8.721 1.00 0.00 C ATOM 1133 C GLU A 72 -6.642 -0.324 8.338 1.00 0.00 C ATOM 1134 O GLU A 72 -6.289 -1.178 9.152 1.00 0.00 O ATOM 1135 CB GLU A 72 -8.036 1.392 9.517 1.00 0.00 C ATOM 1136 CG GLU A 72 -7.802 2.117 10.832 1.00 0.00 C ATOM 1137 CD GLU A 72 -7.223 3.504 10.636 1.00 0.00 C ATOM 1138 OE1 GLU A 72 -6.522 3.718 9.624 1.00 0.00 O ATOM 1139 OE2 GLU A 72 -7.469 4.377 11.494 1.00 0.00 O ATOM 0 H GLU A 72 -7.633 2.025 7.037 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.908 1.418 9.353 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.725 1.976 8.907 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.521 0.437 9.719 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.745 2.194 11.373 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.125 1.529 11.452 1.00 0.00 H new ATOM 1146 N LEU A 73 -6.942 -0.593 7.074 1.00 0.00 N ATOM 1147 CA LEU A 73 -6.882 -1.934 6.529 1.00 0.00 C ATOM 1148 C LEU A 73 -5.459 -2.420 6.384 1.00 0.00 C ATOM 1149 O LEU A 73 -5.226 -3.606 6.236 1.00 0.00 O ATOM 1150 CB LEU A 73 -7.597 -2.002 5.170 1.00 0.00 C ATOM 1151 CG LEU A 73 -7.060 -1.103 4.020 1.00 0.00 C ATOM 1152 CD1 LEU A 73 -5.980 -0.127 4.461 1.00 0.00 C ATOM 1153 CD2 LEU A 73 -6.517 -1.950 2.886 1.00 0.00 C ATOM 0 H LEU A 73 -7.233 0.116 6.401 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.392 -2.589 7.236 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.567 -3.036 4.828 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.645 -1.749 5.330 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.916 -0.517 3.687 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.654 0.466 3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.379 0.534 5.230 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.131 -0.681 4.863 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.147 -1.301 2.092 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.702 -2.573 3.255 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.311 -2.586 2.494 1.00 0.00 H new ATOM 1165 N VAL A 74 -4.506 -1.517 6.433 1.00 0.00 N ATOM 1166 CA VAL A 74 -3.121 -1.913 6.303 1.00 0.00 C ATOM 1167 C VAL A 74 -2.645 -2.613 7.567 1.00 0.00 C ATOM 1168 O VAL A 74 -1.578 -3.228 7.587 1.00 0.00 O ATOM 1169 CB VAL A 74 -2.198 -0.724 5.997 1.00 0.00 C ATOM 1170 CG1 VAL A 74 -1.053 -1.186 5.116 1.00 0.00 C ATOM 1171 CG2 VAL A 74 -2.954 0.418 5.323 1.00 0.00 C ATOM 0 H VAL A 74 -4.660 -0.517 6.560 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.070 -2.601 5.459 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.807 -0.345 6.941 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.398 -0.342 4.899 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.487 -1.962 5.632 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.450 -1.587 4.183 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.267 1.240 5.122 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.383 0.066 4.385 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.752 0.764 5.980 1.00 0.00 H new ATOM 1181 N GLU A 75 -3.455 -2.530 8.615 1.00 0.00 N ATOM 1182 CA GLU A 75 -3.130 -3.172 9.882 1.00 0.00 C ATOM 1183 C GLU A 75 -3.091 -4.687 9.706 1.00 0.00 C ATOM 1184 O GLU A 75 -2.073 -5.328 9.969 1.00 0.00 O ATOM 1185 CB GLU A 75 -4.156 -2.793 10.952 1.00 0.00 C ATOM 1186 CG GLU A 75 -3.606 -2.845 12.368 1.00 0.00 C ATOM 1187 CD GLU A 75 -2.598 -1.746 12.642 1.00 0.00 C ATOM 1188 OE1 GLU A 75 -2.114 -1.127 11.671 1.00 0.00 O ATOM 1189 OE2 GLU A 75 -2.293 -1.504 13.829 1.00 0.00 O ATOM 0 H GLU A 75 -4.341 -2.025 8.613 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.148 -2.827 10.205 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.524 -1.787 10.751 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.011 -3.465 10.878 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.430 -2.763 13.077 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.136 -3.814 12.536 1.00 0.00 H new ATOM 1196 N HIS A 76 -4.204 -5.247 9.242 1.00 0.00 N ATOM 1197 CA HIS A 76 -4.303 -6.683 9.006 1.00 0.00 C ATOM 1198 C HIS A 76 -4.832 -6.964 7.597 1.00 0.00 C ATOM 1199 O HIS A 76 -5.182 -8.097 7.267 1.00 0.00 O ATOM 1200 CB HIS A 76 -5.208 -7.336 10.054 1.00 0.00 C ATOM 1201 CG HIS A 76 -6.633 -6.882 9.986 1.00 0.00 C ATOM 1202 ND1 HIS A 76 -7.628 -7.620 9.380 1.00 0.00 N ATOM 1203 CD2 HIS A 76 -7.232 -5.764 10.461 1.00 0.00 C ATOM 1204 CE1 HIS A 76 -8.777 -6.976 9.486 1.00 0.00 C ATOM 1205 NE2 HIS A 76 -8.564 -5.848 10.138 1.00 0.00 N ATOM 0 H HIS A 76 -5.053 -4.726 9.021 1.00 0.00 H new ATOM 0 HA HIS A 76 -3.305 -7.113 9.091 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -5.174 -8.418 9.927 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -4.814 -7.119 11.047 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -7.497 -8.522 8.922 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -6.752 -4.957 10.994 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -9.729 -7.315 9.104 1.00 0.00 H new ATOM 1214 N TYR A 77 -4.871 -5.920 6.769 1.00 0.00 N ATOM 1215 CA TYR A 77 -5.334 -6.028 5.395 1.00 0.00 C ATOM 1216 C TYR A 77 -6.733 -6.617 5.301 1.00 0.00 C ATOM 1217 O TYR A 77 -6.905 -7.804 5.022 1.00 0.00 O ATOM 1218 CB TYR A 77 -4.355 -6.843 4.558 1.00 0.00 C ATOM 1219 CG TYR A 77 -3.015 -7.083 5.221 1.00 0.00 C ATOM 1220 CD1 TYR A 77 -2.104 -6.047 5.387 1.00 0.00 C ATOM 1221 CD2 TYR A 77 -2.662 -8.347 5.680 1.00 0.00 C ATOM 1222 CE1 TYR A 77 -0.880 -6.263 5.991 1.00 0.00 C ATOM 1223 CE2 TYR A 77 -1.440 -8.570 6.285 1.00 0.00 C ATOM 1224 CZ TYR A 77 -0.553 -7.526 6.438 1.00 0.00 C ATOM 1225 OH TYR A 77 0.664 -7.745 7.041 1.00 0.00 O ATOM 0 H TYR A 77 -4.582 -4.979 7.036 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.383 -5.015 4.996 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -4.809 -7.806 4.325 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -4.191 -6.330 3.610 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.357 -5.057 5.038 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -3.354 -9.168 5.562 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -0.183 -5.447 6.112 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.181 -9.558 6.636 1.00 0.00 H new ATOM 0 HH TYR A 77 0.737 -8.688 7.298 1.00 0.00 H new ATOM 1235 N LYS A 78 -7.733 -5.763 5.499 1.00 0.00 N ATOM 1236 CA LYS A 78 -9.126 -6.188 5.396 1.00 0.00 C ATOM 1237 C LYS A 78 -9.426 -6.502 3.935 1.00 0.00 C ATOM 1238 O LYS A 78 -9.600 -7.659 3.554 1.00 0.00 O ATOM 1239 CB LYS A 78 -10.088 -5.103 5.907 1.00 0.00 C ATOM 1240 CG LYS A 78 -9.507 -4.193 6.985 1.00 0.00 C ATOM 1241 CD LYS A 78 -10.380 -4.177 8.231 1.00 0.00 C ATOM 1242 CE LYS A 78 -9.977 -3.062 9.186 1.00 0.00 C ATOM 1243 NZ LYS A 78 -8.511 -3.049 9.447 1.00 0.00 N ATOM 0 H LYS A 78 -7.606 -4.778 5.730 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.273 -7.072 6.017 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.403 -4.489 5.063 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.982 -5.586 6.301 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.504 -4.531 7.246 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.410 -3.180 6.594 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.423 -4.050 7.943 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.305 -5.138 8.741 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.279 -2.101 8.769 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.511 -3.182 10.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.341 -3.047 10.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.076 -3.894 9.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.091 -2.196 9.025 1.00 0.00 H new ATOM 1257 N LYS A 79 -9.440 -5.454 3.119 1.00 0.00 N ATOM 1258 CA LYS A 79 -9.665 -5.585 1.689 1.00 0.00 C ATOM 1259 C LYS A 79 -8.575 -4.824 0.943 1.00 0.00 C ATOM 1260 O LYS A 79 -8.833 -3.820 0.278 1.00 0.00 O ATOM 1261 CB LYS A 79 -11.044 -5.053 1.311 1.00 0.00 C ATOM 1262 CG LYS A 79 -12.157 -6.055 1.557 1.00 0.00 C ATOM 1263 CD LYS A 79 -13.044 -5.634 2.716 1.00 0.00 C ATOM 1264 CE LYS A 79 -14.511 -5.923 2.434 1.00 0.00 C ATOM 1265 NZ LYS A 79 -14.700 -7.231 1.747 1.00 0.00 N ATOM 0 H LYS A 79 -9.296 -4.494 3.431 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.627 -6.639 1.412 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -11.246 -4.147 1.882 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.042 -4.772 0.258 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -12.761 -6.158 0.655 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.726 -7.034 1.765 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.736 -6.160 3.620 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.913 -4.569 2.907 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.067 -5.922 3.371 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.925 -5.126 1.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.662 -7.583 1.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.564 -7.108 0.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.007 -7.917 2.109 1.00 0.00 H new ATOM 1279 N ALA A 80 -7.347 -5.308 1.092 1.00 0.00 N ATOM 1280 CA ALA A 80 -6.176 -4.695 0.477 1.00 0.00 C ATOM 1281 C ALA A 80 -5.811 -5.363 -0.842 1.00 0.00 C ATOM 1282 O ALA A 80 -6.101 -6.541 -1.054 1.00 0.00 O ATOM 1283 CB ALA A 80 -4.994 -4.746 1.433 1.00 0.00 C ATOM 0 H ALA A 80 -7.135 -6.139 1.644 1.00 0.00 H new ATOM 0 HA ALA A 80 -6.425 -3.656 0.262 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.125 -4.285 0.963 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.241 -4.205 2.347 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.767 -5.784 1.676 1.00 0.00 H new ATOM 1289 N PRO A 81 -5.143 -4.619 -1.745 1.00 0.00 N ATOM 1290 CA PRO A 81 -4.706 -5.142 -3.049 1.00 0.00 C ATOM 1291 C PRO A 81 -3.773 -6.341 -2.909 1.00 0.00 C ATOM 1292 O PRO A 81 -3.199 -6.815 -3.888 1.00 0.00 O ATOM 1293 CB PRO A 81 -3.939 -3.972 -3.678 1.00 0.00 C ATOM 1294 CG PRO A 81 -3.615 -3.061 -2.543 1.00 0.00 C ATOM 1295 CD PRO A 81 -4.730 -3.223 -1.550 1.00 0.00 C ATOM 0 HA PRO A 81 -5.554 -5.488 -3.640 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.033 -4.318 -4.176 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.543 -3.464 -4.430 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.655 -3.320 -2.097 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.541 -2.027 -2.881 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.392 -3.040 -0.530 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.548 -2.529 -1.744 1.00 0.00 H new ATOM 1303 N ILE A 82 -3.618 -6.811 -1.681 1.00 0.00 N ATOM 1304 CA ILE A 82 -2.760 -7.924 -1.385 1.00 0.00 C ATOM 1305 C ILE A 82 -3.210 -9.170 -2.120 1.00 0.00 C ATOM 1306 O ILE A 82 -4.405 -9.433 -2.263 1.00 0.00 O ATOM 1307 CB ILE A 82 -2.723 -8.167 0.131 1.00 0.00 C ATOM 1308 CG1 ILE A 82 -2.175 -6.901 0.808 1.00 0.00 C ATOM 1309 CG2 ILE A 82 -1.889 -9.403 0.461 1.00 0.00 C ATOM 1310 CD1 ILE A 82 -2.439 -6.818 2.291 1.00 0.00 C ATOM 0 H ILE A 82 -4.091 -6.422 -0.865 1.00 0.00 H new ATOM 0 HA ILE A 82 -1.753 -7.686 -1.727 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.726 -8.364 0.508 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.099 -6.852 0.640 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.613 -6.028 0.325 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.877 -9.556 1.540 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.325 -10.276 -0.024 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.869 -9.260 0.103 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.017 -5.893 2.684 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.514 -6.832 2.471 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.977 -7.669 2.791 1.00 0.00 H new ATOM 1322 N PHE A 83 -2.236 -9.914 -2.607 1.00 0.00 N ATOM 1323 CA PHE A 83 -2.517 -11.136 -3.373 1.00 0.00 C ATOM 1324 C PHE A 83 -1.514 -12.248 -3.074 1.00 0.00 C ATOM 1325 O PHE A 83 -0.393 -11.989 -2.650 1.00 0.00 O ATOM 1326 CB PHE A 83 -2.524 -10.828 -4.872 1.00 0.00 C ATOM 1327 CG PHE A 83 -2.967 -11.983 -5.725 1.00 0.00 C ATOM 1328 CD1 PHE A 83 -2.060 -12.949 -6.133 1.00 0.00 C ATOM 1329 CD2 PHE A 83 -4.289 -12.101 -6.122 1.00 0.00 C ATOM 1330 CE1 PHE A 83 -2.464 -14.009 -6.921 1.00 0.00 C ATOM 1331 CE2 PHE A 83 -4.699 -13.159 -6.910 1.00 0.00 C ATOM 1332 CZ PHE A 83 -3.785 -14.115 -7.310 1.00 0.00 C ATOM 0 H PHE A 83 -1.244 -9.704 -2.493 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.501 -11.491 -3.067 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -3.182 -9.979 -5.056 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -1.522 -10.527 -5.176 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.026 -12.872 -5.831 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.008 -11.357 -5.812 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.747 -14.754 -7.233 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.733 -13.239 -7.213 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.103 -14.943 -7.926 1.00 0.00 H new ATOM 1342 N THR A 84 -1.932 -13.493 -3.299 1.00 0.00 N ATOM 1343 CA THR A 84 -1.072 -14.646 -3.047 1.00 0.00 C ATOM 1344 C THR A 84 -0.240 -15.016 -4.273 1.00 0.00 C ATOM 1345 O THR A 84 -0.772 -15.459 -5.291 1.00 0.00 O ATOM 1346 CB THR A 84 -1.908 -15.849 -2.617 1.00 0.00 C ATOM 1347 OG1 THR A 84 -2.814 -15.490 -1.588 1.00 0.00 O ATOM 1348 CG2 THR A 84 -1.068 -17.001 -2.114 1.00 0.00 C ATOM 0 H THR A 84 -2.859 -13.728 -3.654 1.00 0.00 H new ATOM 0 HA THR A 84 -0.388 -14.368 -2.245 1.00 0.00 H new ATOM 0 HB THR A 84 -2.442 -16.170 -3.511 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.539 -16.148 -1.547 1.00 0.00 H new ATOM 0 HG21 THR A 84 -1.718 -17.826 -1.823 1.00 0.00 H new ATOM 0 HG22 THR A 84 -0.394 -17.332 -2.904 1.00 0.00 H new ATOM 0 HG23 THR A 84 -0.485 -16.677 -1.252 1.00 0.00 H new ATOM 1356 N SER A 85 1.072 -14.838 -4.155 1.00 0.00 N ATOM 1357 CA SER A 85 2.001 -15.155 -5.232 1.00 0.00 C ATOM 1358 C SER A 85 3.021 -16.198 -4.781 1.00 0.00 C ATOM 1359 O SER A 85 3.179 -16.450 -3.587 1.00 0.00 O ATOM 1360 CB SER A 85 2.725 -13.891 -5.698 1.00 0.00 C ATOM 1361 OG SER A 85 3.301 -14.076 -6.979 1.00 0.00 O ATOM 0 H SER A 85 1.519 -14.472 -3.314 1.00 0.00 H new ATOM 0 HA SER A 85 1.427 -15.566 -6.063 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.024 -13.057 -5.728 1.00 0.00 H new ATOM 0 HB3 SER A 85 3.503 -13.628 -4.981 1.00 0.00 H new ATOM 0 HG SER A 85 3.756 -13.253 -7.255 1.00 0.00 H new ATOM 1367 N GLU A 86 3.717 -16.795 -5.742 1.00 0.00 N ATOM 1368 CA GLU A 86 4.733 -17.799 -5.442 1.00 0.00 C ATOM 1369 C GLU A 86 4.159 -18.949 -4.618 1.00 0.00 C ATOM 1370 O GLU A 86 4.815 -19.463 -3.712 1.00 0.00 O ATOM 1371 CB GLU A 86 5.903 -17.154 -4.698 1.00 0.00 C ATOM 1372 CG GLU A 86 7.096 -18.078 -4.506 1.00 0.00 C ATOM 1373 CD GLU A 86 7.358 -18.400 -3.047 1.00 0.00 C ATOM 1374 OE1 GLU A 86 6.419 -18.271 -2.232 1.00 0.00 O ATOM 1375 OE2 GLU A 86 8.501 -18.780 -2.718 1.00 0.00 O ATOM 0 H GLU A 86 3.597 -16.602 -6.736 1.00 0.00 H new ATOM 0 HA GLU A 86 5.087 -18.210 -6.388 1.00 0.00 H new ATOM 0 HB2 GLU A 86 6.226 -16.269 -5.246 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.557 -16.815 -3.721 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.924 -19.005 -5.053 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.983 -17.613 -4.936 1.00 0.00 H new ATOM 1382 N HIS A 87 2.937 -19.356 -4.951 1.00 0.00 N ATOM 1383 CA HIS A 87 2.266 -20.459 -4.262 1.00 0.00 C ATOM 1384 C HIS A 87 1.669 -20.029 -2.922 1.00 0.00 C ATOM 1385 O HIS A 87 0.448 -19.971 -2.775 1.00 0.00 O ATOM 1386 CB HIS A 87 3.227 -21.633 -4.044 1.00 0.00 C ATOM 1387 CG HIS A 87 4.089 -21.931 -5.230 1.00 0.00 C ATOM 1388 ND1 HIS A 87 3.818 -21.457 -6.496 1.00 0.00 N ATOM 1389 CD2 HIS A 87 5.224 -22.661 -5.339 1.00 0.00 C ATOM 1390 CE1 HIS A 87 4.747 -21.885 -7.333 1.00 0.00 C ATOM 1391 NE2 HIS A 87 5.612 -22.616 -6.655 1.00 0.00 N ATOM 0 H HIS A 87 2.386 -18.936 -5.700 1.00 0.00 H new ATOM 0 HA HIS A 87 1.447 -20.776 -4.908 1.00 0.00 H new ATOM 0 HB2 HIS A 87 3.865 -21.415 -3.188 1.00 0.00 H new ATOM 0 HB3 HIS A 87 2.649 -22.523 -3.793 1.00 0.00 H new ATOM 0 HD2 HIS A 87 5.730 -23.182 -4.539 1.00 0.00 H new ATOM 0 HE1 HIS A 87 4.791 -21.673 -8.391 1.00 0.00 H new ATOM 0 HE2 HIS A 87 6.436 -23.074 -7.046 1.00 0.00 H new ATOM 1400 N GLY A 88 2.525 -19.760 -1.937 1.00 0.00 N ATOM 1401 CA GLY A 88 2.030 -19.380 -0.624 1.00 0.00 C ATOM 1402 C GLY A 88 2.510 -18.023 -0.140 1.00 0.00 C ATOM 1403 O GLY A 88 2.302 -17.677 1.023 1.00 0.00 O ATOM 0 H GLY A 88 3.541 -19.798 -2.023 1.00 0.00 H new ATOM 0 HA2 GLY A 88 0.940 -19.379 -0.646 1.00 0.00 H new ATOM 0 HA3 GLY A 88 2.333 -20.138 0.098 1.00 0.00 H new ATOM 1407 N GLU A 89 3.134 -17.238 -1.014 1.00 0.00 N ATOM 1408 CA GLU A 89 3.604 -15.915 -0.620 1.00 0.00 C ATOM 1409 C GLU A 89 2.484 -14.901 -0.816 1.00 0.00 C ATOM 1410 O GLU A 89 1.644 -15.068 -1.695 1.00 0.00 O ATOM 1411 CB GLU A 89 4.869 -15.527 -1.405 1.00 0.00 C ATOM 1412 CG GLU A 89 4.681 -14.401 -2.416 1.00 0.00 C ATOM 1413 CD GLU A 89 4.773 -13.025 -1.782 1.00 0.00 C ATOM 1414 OE1 GLU A 89 4.820 -12.946 -0.536 1.00 0.00 O ATOM 1415 OE2 GLU A 89 4.798 -12.027 -2.533 1.00 0.00 O ATOM 0 H GLU A 89 3.323 -17.490 -1.984 1.00 0.00 H new ATOM 0 HA GLU A 89 3.877 -15.927 0.435 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.642 -15.232 -0.696 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.237 -16.408 -1.930 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.437 -14.489 -3.196 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.710 -14.510 -2.899 1.00 0.00 H new ATOM 1422 N LYS A 90 2.449 -13.873 0.020 1.00 0.00 N ATOM 1423 CA LYS A 90 1.396 -12.872 -0.074 1.00 0.00 C ATOM 1424 C LYS A 90 1.939 -11.451 -0.192 1.00 0.00 C ATOM 1425 O LYS A 90 2.802 -11.034 0.581 1.00 0.00 O ATOM 1426 CB LYS A 90 0.481 -12.963 1.148 1.00 0.00 C ATOM 1427 CG LYS A 90 -0.717 -13.874 0.949 1.00 0.00 C ATOM 1428 CD LYS A 90 -0.350 -15.331 1.120 1.00 0.00 C ATOM 1429 CE LYS A 90 -1.492 -16.096 1.762 1.00 0.00 C ATOM 1430 NZ LYS A 90 -2.464 -16.607 0.755 1.00 0.00 N ATOM 0 H LYS A 90 3.129 -13.711 0.763 1.00 0.00 H new ATOM 0 HA LYS A 90 0.838 -13.086 -0.986 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.061 -13.321 1.999 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.128 -11.963 1.401 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.497 -13.610 1.663 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.131 -13.718 -0.047 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.112 -15.768 0.150 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.545 -15.417 1.737 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.090 -16.933 2.334 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.010 -15.447 2.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.415 -16.638 1.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.471 -15.976 -0.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.185 -17.564 0.458 1.00 0.00 H new ATOM 1444 N LEU A 91 1.372 -10.697 -1.127 1.00 0.00 N ATOM 1445 CA LEU A 91 1.729 -9.298 -1.316 1.00 0.00 C ATOM 1446 C LEU A 91 0.985 -8.512 -0.265 1.00 0.00 C ATOM 1447 O LEU A 91 -0.150 -8.115 -0.508 1.00 0.00 O ATOM 1448 CB LEU A 91 1.289 -8.820 -2.697 1.00 0.00 C ATOM 1449 CG LEU A 91 1.572 -9.791 -3.830 1.00 0.00 C ATOM 1450 CD1 LEU A 91 0.633 -9.518 -4.988 1.00 0.00 C ATOM 1451 CD2 LEU A 91 3.024 -9.680 -4.260 1.00 0.00 C ATOM 0 H LEU A 91 0.657 -11.036 -1.771 1.00 0.00 H new ATOM 0 HA LEU A 91 2.808 -9.165 -1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.218 -8.617 -2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.788 -7.875 -2.914 1.00 0.00 H new ATOM 0 HG LEU A 91 1.400 -10.811 -3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.841 -10.218 -5.798 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.398 -9.642 -4.657 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.780 -8.498 -5.343 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.217 -10.380 -5.073 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.226 -8.664 -4.600 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.672 -9.916 -3.416 1.00 0.00 H new ATOM 1463 N TYR A 92 1.605 -8.345 0.906 1.00 0.00 N ATOM 1464 CA TYR A 92 0.968 -7.663 2.033 1.00 0.00 C ATOM 1465 C TYR A 92 1.492 -6.254 2.257 1.00 0.00 C ATOM 1466 O TYR A 92 2.680 -5.979 2.087 1.00 0.00 O ATOM 1467 CB TYR A 92 1.162 -8.480 3.310 1.00 0.00 C ATOM 1468 CG TYR A 92 2.585 -8.947 3.518 1.00 0.00 C ATOM 1469 CD1 TYR A 92 3.545 -8.096 4.053 1.00 0.00 C ATOM 1470 CD2 TYR A 92 2.968 -10.238 3.179 1.00 0.00 C ATOM 1471 CE1 TYR A 92 4.846 -8.520 4.244 1.00 0.00 C ATOM 1472 CE2 TYR A 92 4.267 -10.669 3.367 1.00 0.00 C ATOM 1473 CZ TYR A 92 5.202 -9.807 3.899 1.00 0.00 C ATOM 1474 OH TYR A 92 6.496 -10.234 4.088 1.00 0.00 O ATOM 0 H TYR A 92 2.551 -8.675 1.098 1.00 0.00 H new ATOM 0 HA TYR A 92 -0.090 -7.577 1.785 1.00 0.00 H new ATOM 0 HB2 TYR A 92 0.857 -7.879 4.166 1.00 0.00 H new ATOM 0 HB3 TYR A 92 0.504 -9.348 3.280 1.00 0.00 H new ATOM 0 HD1 TYR A 92 3.270 -7.087 4.324 1.00 0.00 H new ATOM 0 HD2 TYR A 92 2.238 -10.916 2.762 1.00 0.00 H new ATOM 0 HE1 TYR A 92 5.580 -7.847 4.661 1.00 0.00 H new ATOM 0 HE2 TYR A 92 4.549 -11.676 3.098 1.00 0.00 H new ATOM 0 HH TYR A 92 6.579 -11.165 3.795 1.00 0.00 H new ATOM 1484 N LEU A 93 0.582 -5.370 2.660 1.00 0.00 N ATOM 1485 CA LEU A 93 0.917 -3.981 2.931 1.00 0.00 C ATOM 1486 C LEU A 93 1.699 -3.854 4.235 1.00 0.00 C ATOM 1487 O LEU A 93 1.168 -3.398 5.248 1.00 0.00 O ATOM 1488 CB LEU A 93 -0.357 -3.134 3.002 1.00 0.00 C ATOM 1489 CG LEU A 93 -1.342 -3.326 1.846 1.00 0.00 C ATOM 1490 CD1 LEU A 93 -2.735 -2.881 2.254 1.00 0.00 C ATOM 1491 CD2 LEU A 93 -0.890 -2.550 0.623 1.00 0.00 C ATOM 0 H LEU A 93 -0.401 -5.598 2.806 1.00 0.00 H new ATOM 0 HA LEU A 93 1.544 -3.618 2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.871 -3.361 3.936 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.072 -2.083 3.042 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.369 -4.387 1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.422 -3.025 1.420 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.071 -3.472 3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.714 -1.827 2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.604 -2.700 -0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.834 -1.489 0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.093 -2.903 0.311 1.00 0.00 H new ATOM 1503 N VAL A 94 2.963 -4.263 4.204 1.00 0.00 N ATOM 1504 CA VAL A 94 3.814 -4.196 5.385 1.00 0.00 C ATOM 1505 C VAL A 94 4.178 -2.742 5.714 1.00 0.00 C ATOM 1506 O VAL A 94 3.352 -2.002 6.245 1.00 0.00 O ATOM 1507 CB VAL A 94 5.085 -5.063 5.207 1.00 0.00 C ATOM 1508 CG1 VAL A 94 5.748 -4.788 3.866 1.00 0.00 C ATOM 1509 CG2 VAL A 94 6.061 -4.865 6.363 1.00 0.00 C ATOM 0 H VAL A 94 3.420 -4.644 3.375 1.00 0.00 H new ATOM 0 HA VAL A 94 3.253 -4.601 6.227 1.00 0.00 H new ATOM 0 HB VAL A 94 4.779 -6.109 5.218 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.638 -5.409 3.766 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.051 -5.020 3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.031 -3.737 3.809 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.942 -5.488 6.206 1.00 0.00 H new ATOM 0 HG22 VAL A 94 6.361 -3.818 6.411 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.579 -5.147 7.299 1.00 0.00 H new ATOM 1519 N ARG A 95 5.404 -2.333 5.398 1.00 0.00 N ATOM 1520 CA ARG A 95 5.846 -0.969 5.668 1.00 0.00 C ATOM 1521 C ARG A 95 7.177 -0.672 5.009 1.00 0.00 C ATOM 1522 O ARG A 95 7.806 -1.538 4.401 1.00 0.00 O ATOM 1523 CB ARG A 95 5.975 -0.685 7.162 1.00 0.00 C ATOM 1524 CG ARG A 95 4.710 -0.120 7.790 1.00 0.00 C ATOM 1525 CD ARG A 95 4.042 -1.123 8.720 1.00 0.00 C ATOM 1526 NE ARG A 95 3.933 -0.615 10.086 1.00 0.00 N ATOM 1527 CZ ARG A 95 2.992 0.239 10.487 1.00 0.00 C ATOM 1528 NH1 ARG A 95 2.084 0.687 9.630 1.00 0.00 N ATOM 1529 NH2 ARG A 95 2.961 0.647 11.748 1.00 0.00 N ATOM 0 H ARG A 95 6.107 -2.925 4.956 1.00 0.00 H new ATOM 0 HA ARG A 95 5.074 -0.323 5.249 1.00 0.00 H new ATOM 0 HB2 ARG A 95 6.244 -1.608 7.676 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.793 0.018 7.320 1.00 0.00 H new ATOM 0 HG2 ARG A 95 4.954 0.785 8.347 1.00 0.00 H new ATOM 0 HG3 ARG A 95 4.012 0.168 7.004 1.00 0.00 H new ATOM 0 HD2 ARG A 95 3.048 -1.362 8.342 1.00 0.00 H new ATOM 0 HD3 ARG A 95 4.614 -2.051 8.723 1.00 0.00 H new ATOM 0 HE ARG A 95 4.617 -0.933 10.773 1.00 0.00 H new ATOM 0 HH11 ARG A 95 2.104 0.378 8.658 1.00 0.00 H new ATOM 0 HH12 ARG A 95 1.366 1.341 9.943 1.00 0.00 H new ATOM 0 HH21 ARG A 95 3.657 0.307 12.411 1.00 0.00 H new ATOM 0 HH22 ARG A 95 2.241 1.301 12.055 1.00 0.00 H new ATOM 1543 N ALA A 96 7.588 0.576 5.146 1.00 0.00 N ATOM 1544 CA ALA A 96 8.835 1.053 4.588 1.00 0.00 C ATOM 1545 C ALA A 96 10.026 0.573 5.411 1.00 0.00 C ATOM 1546 O ALA A 96 10.161 0.919 6.584 1.00 0.00 O ATOM 1547 CB ALA A 96 8.799 2.564 4.564 1.00 0.00 C ATOM 0 H ALA A 96 7.061 1.289 5.651 1.00 0.00 H new ATOM 0 HA ALA A 96 8.951 0.659 3.579 1.00 0.00 H new ATOM 0 HB1 ALA A 96 9.731 2.944 4.146 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.963 2.898 3.949 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.676 2.941 5.579 1.00 0.00 H new ATOM 1553 N LEU A 97 10.885 -0.227 4.790 1.00 0.00 N ATOM 1554 CA LEU A 97 12.063 -0.756 5.470 1.00 0.00 C ATOM 1555 C LEU A 97 13.345 -0.214 4.846 1.00 0.00 C ATOM 1556 O LEU A 97 13.304 0.540 3.873 1.00 0.00 O ATOM 1557 CB LEU A 97 12.063 -2.284 5.415 1.00 0.00 C ATOM 1558 CG LEU A 97 12.273 -2.882 4.022 1.00 0.00 C ATOM 1559 CD1 LEU A 97 13.730 -3.272 3.824 1.00 0.00 C ATOM 1560 CD2 LEU A 97 11.365 -4.085 3.816 1.00 0.00 C ATOM 0 H LEU A 97 10.789 -0.524 3.819 1.00 0.00 H new ATOM 0 HA LEU A 97 12.025 -0.434 6.511 1.00 0.00 H new ATOM 0 HB2 LEU A 97 12.846 -2.656 6.075 1.00 0.00 H new ATOM 0 HB3 LEU A 97 11.114 -2.647 5.810 1.00 0.00 H new ATOM 0 HG LEU A 97 12.016 -2.126 3.280 1.00 0.00 H new ATOM 0 HD11 LEU A 97 13.861 -3.695 2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 97 14.360 -2.389 3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 97 14.014 -4.011 4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 97 11.528 -4.497 2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 97 11.591 -4.844 4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 97 10.324 -3.777 3.915 1.00 0.00 H new ATOM 1572 N GLN A 98 14.481 -0.603 5.415 1.00 0.00 N ATOM 1573 CA GLN A 98 15.778 -0.158 4.918 1.00 0.00 C ATOM 1574 C GLN A 98 16.506 -1.295 4.207 1.00 0.00 C ATOM 1575 O GLN A 98 16.421 -2.443 4.690 1.00 0.00 O ATOM 1576 CB GLN A 98 16.634 0.371 6.070 1.00 0.00 C ATOM 1577 CG GLN A 98 18.002 0.871 5.633 1.00 0.00 C ATOM 1578 CD GLN A 98 19.133 0.007 6.157 1.00 0.00 C ATOM 1579 OE1 GLN A 98 19.576 0.168 7.294 1.00 0.00 O ATOM 1580 NE2 GLN A 98 19.607 -0.915 5.328 1.00 0.00 N ATOM 1581 OXT GLN A 98 17.155 -1.027 3.174 1.00 0.00 O ATOM 0 H GLN A 98 14.530 -1.226 6.221 1.00 0.00 H new ATOM 0 HA GLN A 98 15.610 0.646 4.201 1.00 0.00 H new ATOM 0 HB2 GLN A 98 16.101 1.183 6.565 1.00 0.00 H new ATOM 0 HB3 GLN A 98 16.765 -0.421 6.808 1.00 0.00 H new ATOM 0 HG2 GLN A 98 18.044 0.897 4.544 1.00 0.00 H new ATOM 0 HG3 GLN A 98 18.139 1.894 5.982 1.00 0.00 H new ATOM 0 HE21 GLN A 98 19.210 -1.014 4.394 1.00 0.00 H new ATOM 0 HE22 GLN A 98 20.369 -1.525 5.625 1.00 0.00 H new