USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 817 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 102 TYR OH : rot 121:sc= 1.77 USER MOD Set 1.2: A 106 TYR OH : rot 180:sc= -0.0417 USER MOD Set 2.1: A 64 HIS : no HD1:sc= -0.861 K(o=-1.7,f=-3.4) USER MOD Set 2.2: A 68 GLN : amide:sc= -0.865 K(o=-1.7,f=-4.6) USER MOD Set 3.1: A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 48 HIS :FLIP no HE2:sc= -2.05 F(o=-5!,f=-2.1) USER MOD Set 4.1: A 23 TYR OH : rot -60:sc= 0.477 USER MOD Set 4.2: A 46 HIS : no HD1:sc= -1.21 K(o=-0.74,f=-1.9) USER MOD Set 5.1: A 30 ASN :FLIP amide:sc= 0.513 F(o=-0.15,f=1) USER MOD Set 5.2: A 33 THR OG1 : rot -9:sc= 0.526 USER MOD Set 6.1: A 27 ASN : amide:sc= -2.25 K(o=-4.6,f=-15!) USER MOD Set 6.2: A 29 HIS : no HD1:sc= -2.38 K(o=-4.6,f=-6!) USER MOD Single : A 16 CYS SG : rot 161:sc= 0.29 USER MOD Single : A 17 GLN : amide:sc= 0.395 K(o=0.39,f=-0.65) USER MOD Single : A 18 MET CE :methyl 156:sc= -0.0714 (180deg=-0.535) USER MOD Single : A 20 THR OG1 : rot -86:sc= 1.09 USER MOD Single : A 25 ASN : amide:sc=-0.00762 X(o=-0.0076,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.236 USER MOD Single : A 34 SER OG : rot 77:sc= 0.133 USER MOD Single : A 42 ASN : amide:sc= -1.42 K(o=-1.4,f=-3.3!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -121:sc= -0.0218 (180deg=-1.5!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.0477 X(o=-0.048,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -6.74! C(o=-6.7!,f=-12!) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 72 ASN :FLIP amide:sc= -0.48 F(o=-1.4,f=-0.48) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.935 K(o=-0.94,f=-5.1!) USER MOD Single : A 93 GLN : amide:sc= -0.0112 K(o=-0.011,f=-1.1) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= -0.0949 USER MOD Single : A 101 THR OG1 : rot 90:sc= 0.83 USER MOD Single : A 105 THR OG1 : rot -61:sc= 1.11 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 HIS :FLIP no HE2:sc= 0.0434 F(o=-0.49,f=0.043) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 160:sc= -0.119 (180deg=-0.478) USER MOD ----------------------------------------------------------------- ATOM 98 N ASP A 10 12.671 7.356 -0.999 1.00 0.00 N ATOM 99 CA ASP A 10 12.411 7.705 -2.391 1.00 0.00 C ATOM 100 C ASP A 10 12.126 6.457 -3.220 1.00 0.00 C ATOM 101 O ASP A 10 11.206 6.440 -4.038 1.00 0.00 O ATOM 102 CB ASP A 10 13.603 8.461 -2.979 1.00 0.00 C ATOM 103 CG ASP A 10 13.907 9.741 -2.225 1.00 0.00 C ATOM 104 OD1 ASP A 10 12.956 10.493 -1.926 1.00 0.00 O ATOM 105 OD2 ASP A 10 15.095 9.990 -1.932 1.00 0.00 O ATOM 0 HA ASP A 10 11.531 8.348 -2.421 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.482 7.816 -2.963 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.400 8.698 -4.023 1.00 0.00 H new ATOM 110 N ALA A 11 12.922 5.415 -3.005 1.00 0.00 N ATOM 111 CA ALA A 11 12.753 4.162 -3.732 1.00 0.00 C ATOM 112 C ALA A 11 11.341 3.612 -3.559 1.00 0.00 C ATOM 113 O ALA A 11 10.700 3.204 -4.528 1.00 0.00 O ATOM 114 CB ALA A 11 13.780 3.140 -3.266 1.00 0.00 C ATOM 0 H ALA A 11 13.690 5.413 -2.334 1.00 0.00 H new ATOM 0 HA ALA A 11 12.909 4.362 -4.792 1.00 0.00 H new ATOM 0 HB1 ALA A 11 13.643 2.209 -3.817 1.00 0.00 H new ATOM 0 HB2 ALA A 11 14.784 3.524 -3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 11 13.650 2.953 -2.200 1.00 0.00 H new ATOM 120 N LEU A 12 10.863 3.604 -2.320 1.00 0.00 N ATOM 121 CA LEU A 12 9.526 3.103 -2.020 1.00 0.00 C ATOM 122 C LEU A 12 8.462 3.931 -2.732 1.00 0.00 C ATOM 123 O LEU A 12 7.549 3.386 -3.354 1.00 0.00 O ATOM 124 CB LEU A 12 9.278 3.123 -0.511 1.00 0.00 C ATOM 125 CG LEU A 12 7.975 2.482 -0.035 1.00 0.00 C ATOM 126 CD1 LEU A 12 7.994 0.982 -0.288 1.00 0.00 C ATOM 127 CD2 LEU A 12 7.745 2.772 1.441 1.00 0.00 C ATOM 0 H LEU A 12 11.381 3.938 -1.507 1.00 0.00 H new ATOM 0 HA LEU A 12 9.462 2.076 -2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.109 2.616 -0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.293 4.160 -0.175 1.00 0.00 H new ATOM 0 HG LEU A 12 7.152 2.916 -0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.058 0.543 0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.111 0.795 -1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.827 0.532 0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.813 2.308 1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.572 2.367 2.025 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.686 3.849 1.595 1.00 0.00 H new ATOM 139 N LEU A 13 8.586 5.250 -2.639 1.00 0.00 N ATOM 140 CA LEU A 13 7.636 6.155 -3.276 1.00 0.00 C ATOM 141 C LEU A 13 7.442 5.795 -4.746 1.00 0.00 C ATOM 142 O LEU A 13 6.313 5.668 -5.221 1.00 0.00 O ATOM 143 CB LEU A 13 8.119 7.602 -3.155 1.00 0.00 C ATOM 144 CG LEU A 13 7.195 8.670 -3.740 1.00 0.00 C ATOM 145 CD1 LEU A 13 5.869 8.697 -2.994 1.00 0.00 C ATOM 146 CD2 LEU A 13 7.861 10.037 -3.695 1.00 0.00 C ATOM 0 H LEU A 13 9.335 5.717 -2.128 1.00 0.00 H new ATOM 0 HA LEU A 13 6.678 6.053 -2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.276 7.824 -2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.089 7.682 -3.645 1.00 0.00 H new ATOM 0 HG LEU A 13 6.998 8.419 -4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.225 9.463 -3.425 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.384 7.725 -3.079 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.048 8.922 -1.943 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.188 10.784 -4.116 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.090 10.296 -2.661 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.783 10.012 -4.276 1.00 0.00 H new ATOM 158 N LEU A 14 8.549 5.629 -5.460 1.00 0.00 N ATOM 159 CA LEU A 14 8.502 5.279 -6.876 1.00 0.00 C ATOM 160 C LEU A 14 7.732 3.979 -7.090 1.00 0.00 C ATOM 161 O LEU A 14 6.932 3.867 -8.019 1.00 0.00 O ATOM 162 CB LEU A 14 9.919 5.145 -7.436 1.00 0.00 C ATOM 163 CG LEU A 14 10.037 4.484 -8.810 1.00 0.00 C ATOM 164 CD1 LEU A 14 9.332 5.320 -9.867 1.00 0.00 C ATOM 165 CD2 LEU A 14 11.499 4.278 -9.178 1.00 0.00 C ATOM 0 H LEU A 14 9.491 5.731 -5.082 1.00 0.00 H new ATOM 0 HA LEU A 14 7.983 6.078 -7.406 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.361 6.140 -7.494 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.516 4.572 -6.727 1.00 0.00 H new ATOM 0 HG LEU A 14 9.553 3.508 -8.766 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.427 4.834 -10.838 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.277 5.416 -9.611 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.787 6.310 -9.911 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.564 3.807 -10.159 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.007 5.242 -9.204 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.974 3.638 -8.435 1.00 0.00 H new ATOM 177 N TRP A 15 7.979 3.002 -6.225 1.00 0.00 N ATOM 178 CA TRP A 15 7.308 1.711 -6.318 1.00 0.00 C ATOM 179 C TRP A 15 5.795 1.888 -6.399 1.00 0.00 C ATOM 180 O TRP A 15 5.164 1.474 -7.372 1.00 0.00 O ATOM 181 CB TRP A 15 7.668 0.837 -5.116 1.00 0.00 C ATOM 182 CG TRP A 15 7.287 -0.602 -5.291 1.00 0.00 C ATOM 183 CD1 TRP A 15 7.953 -1.544 -6.021 1.00 0.00 C ATOM 184 CD2 TRP A 15 6.147 -1.261 -4.727 1.00 0.00 C ATOM 185 NE1 TRP A 15 7.298 -2.749 -5.944 1.00 0.00 N ATOM 186 CE2 TRP A 15 6.187 -2.602 -5.156 1.00 0.00 C ATOM 187 CE3 TRP A 15 5.099 -0.849 -3.901 1.00 0.00 C ATOM 188 CZ2 TRP A 15 5.218 -3.531 -4.786 1.00 0.00 C ATOM 189 CZ3 TRP A 15 4.137 -1.772 -3.534 1.00 0.00 C ATOM 190 CH2 TRP A 15 4.202 -3.100 -3.977 1.00 0.00 C ATOM 0 H TRP A 15 8.639 3.079 -5.451 1.00 0.00 H new ATOM 0 HA TRP A 15 7.647 1.219 -7.230 1.00 0.00 H new ATOM 0 HB2 TRP A 15 8.741 0.902 -4.937 1.00 0.00 H new ATOM 0 HB3 TRP A 15 7.173 1.231 -4.228 1.00 0.00 H new ATOM 0 HD1 TRP A 15 8.862 -1.368 -6.577 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.591 -3.613 -6.400 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.041 0.172 -3.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 5.267 -4.555 -5.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 3.322 -1.464 -2.895 1.00 0.00 H new ATOM 0 HH2 TRP A 15 3.435 -3.797 -3.674 1.00 0.00 H new ATOM 201 N CYS A 16 5.222 2.504 -5.372 1.00 0.00 N ATOM 202 CA CYS A 16 3.782 2.735 -5.327 1.00 0.00 C ATOM 203 C CYS A 16 3.305 3.446 -6.590 1.00 0.00 C ATOM 204 O CYS A 16 2.315 3.045 -7.202 1.00 0.00 O ATOM 205 CB CYS A 16 3.415 3.562 -4.093 1.00 0.00 C ATOM 206 SG CYS A 16 1.758 3.233 -3.450 1.00 0.00 S ATOM 0 H CYS A 16 5.731 2.852 -4.560 1.00 0.00 H new ATOM 0 HA CYS A 16 3.286 1.766 -5.267 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.144 3.365 -3.307 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.493 4.620 -4.342 1.00 0.00 H new ATOM 0 HG CYS A 16 1.680 3.646 -2.220 1.00 0.00 H new ATOM 212 N GLN A 17 4.015 4.502 -6.972 1.00 0.00 N ATOM 213 CA GLN A 17 3.663 5.268 -8.162 1.00 0.00 C ATOM 214 C GLN A 17 3.646 4.378 -9.399 1.00 0.00 C ATOM 215 O GLN A 17 2.827 4.562 -10.298 1.00 0.00 O ATOM 216 CB GLN A 17 4.648 6.421 -8.361 1.00 0.00 C ATOM 217 CG GLN A 17 4.470 7.554 -7.363 1.00 0.00 C ATOM 218 CD GLN A 17 4.961 8.885 -7.897 1.00 0.00 C ATOM 219 OE1 GLN A 17 5.756 8.936 -8.837 1.00 0.00 O ATOM 220 NE2 GLN A 17 4.490 9.974 -7.299 1.00 0.00 N ATOM 0 H GLN A 17 4.837 4.847 -6.476 1.00 0.00 H new ATOM 0 HA GLN A 17 2.662 5.675 -8.018 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.665 6.036 -8.283 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.533 6.816 -9.370 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.416 7.639 -7.100 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.009 7.314 -6.446 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.833 9.886 -6.524 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.785 10.898 -7.615 1.00 0.00 H new ATOM 229 N MET A 18 4.559 3.411 -9.439 1.00 0.00 N ATOM 230 CA MET A 18 4.649 2.491 -10.566 1.00 0.00 C ATOM 231 C MET A 18 3.427 1.579 -10.621 1.00 0.00 C ATOM 232 O MET A 18 2.818 1.403 -11.677 1.00 0.00 O ATOM 233 CB MET A 18 5.923 1.651 -10.466 1.00 0.00 C ATOM 234 CG MET A 18 7.185 2.415 -10.834 1.00 0.00 C ATOM 235 SD MET A 18 8.475 1.346 -11.500 1.00 0.00 S ATOM 236 CE MET A 18 9.189 0.696 -9.991 1.00 0.00 C ATOM 0 H MET A 18 5.246 3.245 -8.704 1.00 0.00 H new ATOM 0 HA MET A 18 4.683 3.080 -11.482 1.00 0.00 H new ATOM 0 HB2 MET A 18 6.020 1.273 -9.448 1.00 0.00 H new ATOM 0 HB3 MET A 18 5.829 0.784 -11.120 1.00 0.00 H new ATOM 0 HG2 MET A 18 6.939 3.182 -11.568 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.564 2.929 -9.951 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.676 -0.256 -10.200 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.923 1.402 -9.602 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.403 0.547 -9.251 1.00 0.00 H new ATOM 246 N LYS A 19 3.075 1.000 -9.479 1.00 0.00 N ATOM 247 CA LYS A 19 1.926 0.106 -9.396 1.00 0.00 C ATOM 248 C LYS A 19 0.625 0.868 -9.631 1.00 0.00 C ATOM 249 O LYS A 19 -0.147 0.538 -10.533 1.00 0.00 O ATOM 250 CB LYS A 19 1.886 -0.583 -8.030 1.00 0.00 C ATOM 251 CG LYS A 19 3.189 -1.266 -7.655 1.00 0.00 C ATOM 252 CD LYS A 19 3.575 -2.326 -8.673 1.00 0.00 C ATOM 253 CE LYS A 19 4.508 -3.365 -8.069 1.00 0.00 C ATOM 254 NZ LYS A 19 4.733 -4.512 -8.992 1.00 0.00 N ATOM 0 H LYS A 19 3.569 1.134 -8.597 1.00 0.00 H new ATOM 0 HA LYS A 19 2.030 -0.650 -10.174 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.640 0.156 -7.267 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.085 -1.322 -8.028 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.983 -0.523 -7.583 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.091 -1.724 -6.671 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.677 -2.816 -9.048 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.060 -1.853 -9.527 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.464 -2.899 -7.829 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.087 -3.730 -7.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.374 -5.198 -8.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.824 -4.973 -9.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.158 -4.168 -9.876 1.00 0.00 H new ATOM 268 N THR A 20 0.389 1.892 -8.816 1.00 0.00 N ATOM 269 CA THR A 20 -0.818 2.700 -8.936 1.00 0.00 C ATOM 270 C THR A 20 -1.022 3.174 -10.370 1.00 0.00 C ATOM 271 O THR A 20 -2.150 3.430 -10.794 1.00 0.00 O ATOM 272 CB THR A 20 -0.765 3.927 -8.005 1.00 0.00 C ATOM 273 OG1 THR A 20 0.448 4.656 -8.222 1.00 0.00 O ATOM 274 CG2 THR A 20 -0.855 3.504 -6.546 1.00 0.00 C ATOM 0 H THR A 20 1.018 2.181 -8.066 1.00 0.00 H new ATOM 0 HA THR A 20 -1.655 2.065 -8.644 1.00 0.00 H new ATOM 0 HB THR A 20 -1.618 4.566 -8.235 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.164 4.270 -7.676 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.816 4.387 -5.908 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.794 2.976 -6.377 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.020 2.845 -6.306 1.00 0.00 H new ATOM 282 N ALA A 21 0.074 3.288 -11.113 1.00 0.00 N ATOM 283 CA ALA A 21 0.013 3.727 -12.501 1.00 0.00 C ATOM 284 C ALA A 21 -1.238 3.197 -13.191 1.00 0.00 C ATOM 285 O ALA A 21 -1.542 2.007 -13.118 1.00 0.00 O ATOM 286 CB ALA A 21 1.260 3.283 -13.251 1.00 0.00 C ATOM 0 H ALA A 21 1.015 3.082 -10.777 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.034 4.816 -12.509 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.200 3.618 -14.287 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.142 3.717 -12.780 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.332 2.196 -13.225 1.00 0.00 H new ATOM 292 N GLY A 22 -1.963 4.088 -13.861 1.00 0.00 N ATOM 293 CA GLY A 22 -3.174 3.690 -14.554 1.00 0.00 C ATOM 294 C GLY A 22 -4.415 4.340 -13.974 1.00 0.00 C ATOM 295 O GLY A 22 -5.330 4.713 -14.709 1.00 0.00 O ATOM 0 H GLY A 22 -1.733 5.079 -13.936 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.089 3.953 -15.608 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.278 2.606 -14.504 1.00 0.00 H new ATOM 299 N TYR A 23 -4.447 4.475 -12.652 1.00 0.00 N ATOM 300 CA TYR A 23 -5.586 5.082 -11.975 1.00 0.00 C ATOM 301 C TYR A 23 -5.385 6.584 -11.807 1.00 0.00 C ATOM 302 O TYR A 23 -4.429 7.042 -11.181 1.00 0.00 O ATOM 303 CB TYR A 23 -5.799 4.429 -10.607 1.00 0.00 C ATOM 304 CG TYR A 23 -5.578 2.934 -10.609 1.00 0.00 C ATOM 305 CD1 TYR A 23 -6.451 2.083 -11.278 1.00 0.00 C ATOM 306 CD2 TYR A 23 -4.498 2.370 -9.941 1.00 0.00 C ATOM 307 CE1 TYR A 23 -6.254 0.716 -11.282 1.00 0.00 C ATOM 308 CE2 TYR A 23 -4.292 1.003 -9.942 1.00 0.00 C ATOM 309 CZ TYR A 23 -5.173 0.181 -10.613 1.00 0.00 C ATOM 310 OH TYR A 23 -4.973 -1.180 -10.614 1.00 0.00 O ATOM 0 H TYR A 23 -3.698 4.172 -12.029 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.470 4.920 -12.591 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.122 4.887 -9.886 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.814 4.637 -10.268 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.298 2.498 -11.804 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -3.808 3.010 -9.412 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -6.943 0.070 -11.806 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.446 0.581 -9.420 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.748 -1.625 -10.212 1.00 0.00 H new ATOM 320 N PRO A 24 -6.308 7.371 -12.381 1.00 0.00 N ATOM 321 CA PRO A 24 -6.255 8.835 -12.310 1.00 0.00 C ATOM 322 C PRO A 24 -6.540 9.357 -10.906 1.00 0.00 C ATOM 323 O PRO A 24 -5.960 10.352 -10.474 1.00 0.00 O ATOM 324 CB PRO A 24 -7.354 9.276 -13.279 1.00 0.00 C ATOM 325 CG PRO A 24 -8.307 8.132 -13.319 1.00 0.00 C ATOM 326 CD PRO A 24 -7.473 6.893 -13.144 1.00 0.00 C ATOM 0 HA PRO A 24 -5.267 9.221 -12.561 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.843 10.187 -12.934 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.948 9.487 -14.268 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.052 8.216 -12.527 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.848 8.108 -14.265 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.015 6.116 -12.605 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.178 6.468 -14.104 1.00 0.00 H new ATOM 334 N ASN A 25 -7.437 8.679 -10.198 1.00 0.00 N ATOM 335 CA ASN A 25 -7.799 9.075 -8.842 1.00 0.00 C ATOM 336 C ASN A 25 -6.645 8.827 -7.876 1.00 0.00 C ATOM 337 O ASN A 25 -6.362 9.649 -7.004 1.00 0.00 O ATOM 338 CB ASN A 25 -9.040 8.309 -8.379 1.00 0.00 C ATOM 339 CG ASN A 25 -10.325 8.914 -8.911 1.00 0.00 C ATOM 340 OD1 ASN A 25 -10.994 9.685 -8.222 1.00 0.00 O ATOM 341 ND2 ASN A 25 -10.676 8.567 -10.144 1.00 0.00 N ATOM 0 H ASN A 25 -7.927 7.853 -10.541 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.020 10.142 -8.849 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.967 7.272 -8.707 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.071 8.297 -7.290 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.530 8.943 -10.556 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.091 7.925 -10.679 1.00 0.00 H new ATOM 348 N VAL A 26 -5.981 7.686 -8.036 1.00 0.00 N ATOM 349 CA VAL A 26 -4.856 7.330 -7.181 1.00 0.00 C ATOM 350 C VAL A 26 -3.658 8.236 -7.440 1.00 0.00 C ATOM 351 O VAL A 26 -3.287 8.477 -8.587 1.00 0.00 O ATOM 352 CB VAL A 26 -4.432 5.864 -7.392 1.00 0.00 C ATOM 353 CG1 VAL A 26 -3.272 5.505 -6.477 1.00 0.00 C ATOM 354 CG2 VAL A 26 -5.611 4.930 -7.164 1.00 0.00 C ATOM 0 H VAL A 26 -6.204 6.993 -8.750 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.189 7.460 -6.151 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.099 5.746 -8.423 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.987 4.466 -6.641 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.423 6.153 -6.695 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.573 5.639 -5.438 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.293 3.899 -7.317 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.978 5.049 -6.144 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.408 5.172 -7.867 1.00 0.00 H new ATOM 364 N ASN A 27 -3.058 8.736 -6.364 1.00 0.00 N ATOM 365 CA ASN A 27 -1.901 9.617 -6.475 1.00 0.00 C ATOM 366 C ASN A 27 -1.003 9.494 -5.248 1.00 0.00 C ATOM 367 O ASN A 27 -1.419 9.796 -4.129 1.00 0.00 O ATOM 368 CB ASN A 27 -2.354 11.068 -6.646 1.00 0.00 C ATOM 369 CG ASN A 27 -1.273 11.945 -7.247 1.00 0.00 C ATOM 370 OD1 ASN A 27 -0.531 12.615 -6.528 1.00 0.00 O ATOM 371 ND2 ASN A 27 -1.179 11.945 -8.572 1.00 0.00 N ATOM 0 H ASN A 27 -3.354 8.546 -5.406 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.329 9.316 -7.353 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.238 11.097 -7.284 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.647 11.471 -5.676 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -0.471 12.516 -9.033 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.815 11.374 -9.128 1.00 0.00 H new ATOM 378 N VAL A 28 0.230 9.050 -5.465 1.00 0.00 N ATOM 379 CA VAL A 28 1.188 8.888 -4.379 1.00 0.00 C ATOM 380 C VAL A 28 2.220 10.009 -4.384 1.00 0.00 C ATOM 381 O VAL A 28 3.420 9.763 -4.514 1.00 0.00 O ATOM 382 CB VAL A 28 1.915 7.534 -4.468 1.00 0.00 C ATOM 383 CG1 VAL A 28 2.562 7.186 -3.136 1.00 0.00 C ATOM 384 CG2 VAL A 28 0.954 6.440 -4.906 1.00 0.00 C ATOM 0 H VAL A 28 0.590 8.796 -6.385 1.00 0.00 H new ATOM 0 HA VAL A 28 0.621 8.926 -3.449 1.00 0.00 H new ATOM 0 HB VAL A 28 2.703 7.614 -5.217 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.071 6.226 -3.219 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.284 7.958 -2.870 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.795 7.125 -2.364 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.486 5.490 -4.963 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.142 6.358 -4.183 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.544 6.686 -5.886 1.00 0.00 H new ATOM 394 N HIS A 29 1.747 11.244 -4.242 1.00 0.00 N ATOM 395 CA HIS A 29 2.630 12.405 -4.230 1.00 0.00 C ATOM 396 C HIS A 29 3.429 12.465 -2.932 1.00 0.00 C ATOM 397 O HIS A 29 4.583 12.889 -2.923 1.00 0.00 O ATOM 398 CB HIS A 29 1.819 13.690 -4.405 1.00 0.00 C ATOM 399 CG HIS A 29 1.633 14.091 -5.835 1.00 0.00 C ATOM 400 ND1 HIS A 29 0.672 14.988 -6.247 1.00 0.00 N ATOM 401 CD2 HIS A 29 2.296 13.713 -6.954 1.00 0.00 C ATOM 402 CE1 HIS A 29 0.747 15.144 -7.556 1.00 0.00 C ATOM 403 NE2 HIS A 29 1.726 14.381 -8.010 1.00 0.00 N ATOM 0 H HIS A 29 0.757 11.466 -4.134 1.00 0.00 H new ATOM 0 HA HIS A 29 3.328 12.310 -5.061 1.00 0.00 H new ATOM 0 HB2 HIS A 29 0.841 13.558 -3.943 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.317 14.499 -3.871 1.00 0.00 H new ATOM 0 HD2 HIS A 29 3.119 13.016 -7.006 1.00 0.00 H new ATOM 0 HE1 HIS A 29 0.116 15.785 -8.154 1.00 0.00 H new ATOM 0 HE2 HIS A 29 2.012 14.301 -8.986 1.00 0.00 H new ATOM 412 N ASN A 30 2.805 12.041 -1.838 1.00 0.00 N ATOM 413 CA ASN A 30 3.458 12.049 -0.533 1.00 0.00 C ATOM 414 C ASN A 30 3.056 10.825 0.284 1.00 0.00 C ATOM 415 O ASN A 30 2.246 10.009 -0.157 1.00 0.00 O ATOM 416 CB ASN A 30 3.101 13.326 0.231 1.00 0.00 C ATOM 417 CG ASN A 30 1.708 13.826 -0.097 1.00 0.00 C ATOM 418 OD1 ASN A 30 0.708 12.983 0.130 1.00 0.00 O flip ATOM 419 ND2 ASN A 30 1.533 14.958 -0.551 1.00 0.00 N flip ATOM 0 H ASN A 30 1.848 11.688 -1.829 1.00 0.00 H new ATOM 0 HA ASN A 30 4.536 12.019 -0.693 1.00 0.00 H new ATOM 0 HB2 ASN A 30 3.173 13.137 1.302 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.828 14.103 -0.006 1.00 0.00 H new ATOM 0 HD21 ASN A 30 2.331 15.573 -0.710 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.590 15.280 -0.768 1.00 0.00 H new ATOM 426 N PHE A 31 3.628 10.703 1.477 1.00 0.00 N ATOM 427 CA PHE A 31 3.330 9.578 2.356 1.00 0.00 C ATOM 428 C PHE A 31 2.442 10.016 3.517 1.00 0.00 C ATOM 429 O PHE A 31 2.489 9.438 4.603 1.00 0.00 O ATOM 430 CB PHE A 31 4.625 8.967 2.893 1.00 0.00 C ATOM 431 CG PHE A 31 5.419 8.235 1.850 1.00 0.00 C ATOM 432 CD1 PHE A 31 5.149 6.907 1.558 1.00 0.00 C ATOM 433 CD2 PHE A 31 6.437 8.873 1.159 1.00 0.00 C ATOM 434 CE1 PHE A 31 5.878 6.231 0.600 1.00 0.00 C ATOM 435 CE2 PHE A 31 7.170 8.201 0.199 1.00 0.00 C ATOM 436 CZ PHE A 31 6.889 6.879 -0.082 1.00 0.00 C ATOM 0 H PHE A 31 4.300 11.369 1.857 1.00 0.00 H new ATOM 0 HA PHE A 31 2.795 8.827 1.775 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.242 9.759 3.319 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.384 8.280 3.704 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.359 6.395 2.086 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.660 9.908 1.373 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.658 5.196 0.384 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.962 8.710 -0.331 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.459 6.353 -0.834 1.00 0.00 H new ATOM 446 N THR A 32 1.632 11.043 3.280 1.00 0.00 N ATOM 447 CA THR A 32 0.733 11.561 4.304 1.00 0.00 C ATOM 448 C THR A 32 -0.688 11.700 3.771 1.00 0.00 C ATOM 449 O THR A 32 -1.571 10.912 4.109 1.00 0.00 O ATOM 450 CB THR A 32 1.209 12.929 4.830 1.00 0.00 C ATOM 451 OG1 THR A 32 1.424 13.827 3.734 1.00 0.00 O ATOM 452 CG2 THR A 32 2.493 12.783 5.633 1.00 0.00 C ATOM 0 H THR A 32 1.580 11.533 2.387 1.00 0.00 H new ATOM 0 HA THR A 32 0.741 10.842 5.123 1.00 0.00 H new ATOM 0 HB THR A 32 0.435 13.332 5.483 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.725 14.695 4.076 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.810 13.762 5.994 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.318 12.122 6.482 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.273 12.360 4.999 1.00 0.00 H new ATOM 460 N THR A 33 -0.904 12.710 2.933 1.00 0.00 N ATOM 461 CA THR A 33 -2.218 12.953 2.352 1.00 0.00 C ATOM 462 C THR A 33 -2.443 12.087 1.119 1.00 0.00 C ATOM 463 O THR A 33 -3.125 12.495 0.178 1.00 0.00 O ATOM 464 CB THR A 33 -2.396 14.434 1.966 1.00 0.00 C ATOM 465 OG1 THR A 33 -1.425 14.803 0.981 1.00 0.00 O ATOM 466 CG2 THR A 33 -2.256 15.332 3.185 1.00 0.00 C ATOM 0 H THR A 33 -0.185 13.373 2.642 1.00 0.00 H new ATOM 0 HA THR A 33 -2.953 12.693 3.113 1.00 0.00 H new ATOM 0 HB THR A 33 -3.397 14.562 1.554 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.774 14.078 0.875 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.386 16.372 2.887 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.016 15.068 3.921 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.266 15.200 3.622 1.00 0.00 H new ATOM 474 N SER A 34 -1.867 10.889 1.128 1.00 0.00 N ATOM 475 CA SER A 34 -2.002 9.966 0.008 1.00 0.00 C ATOM 476 C SER A 34 -2.649 8.659 0.457 1.00 0.00 C ATOM 477 O SER A 34 -3.337 7.996 -0.320 1.00 0.00 O ATOM 478 CB SER A 34 -0.634 9.684 -0.616 1.00 0.00 C ATOM 479 OG SER A 34 -0.730 8.704 -1.635 1.00 0.00 O ATOM 0 H SER A 34 -1.302 10.535 1.900 1.00 0.00 H new ATOM 0 HA SER A 34 -2.645 10.431 -0.739 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.223 10.605 -1.030 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.058 9.345 0.155 1.00 0.00 H new ATOM 0 HG SER A 34 -1.096 9.112 -2.448 1.00 0.00 H new ATOM 485 N TRP A 35 -2.422 8.295 1.713 1.00 0.00 N ATOM 486 CA TRP A 35 -2.982 7.067 2.267 1.00 0.00 C ATOM 487 C TRP A 35 -4.063 7.377 3.296 1.00 0.00 C ATOM 488 O TRP A 35 -4.547 6.482 3.990 1.00 0.00 O ATOM 489 CB TRP A 35 -1.879 6.221 2.905 1.00 0.00 C ATOM 490 CG TRP A 35 -0.623 6.168 2.088 1.00 0.00 C ATOM 491 CD1 TRP A 35 0.285 7.174 1.915 1.00 0.00 C ATOM 492 CD2 TRP A 35 -0.138 5.053 1.334 1.00 0.00 C ATOM 493 NE1 TRP A 35 1.305 6.750 1.097 1.00 0.00 N ATOM 494 CE2 TRP A 35 1.069 5.451 0.729 1.00 0.00 C ATOM 495 CE3 TRP A 35 -0.605 3.754 1.113 1.00 0.00 C ATOM 496 CZ2 TRP A 35 1.812 4.599 -0.084 1.00 0.00 C ATOM 497 CZ3 TRP A 35 0.133 2.909 0.307 1.00 0.00 C ATOM 498 CH2 TRP A 35 1.331 3.333 -0.283 1.00 0.00 C ATOM 0 H TRP A 35 -1.854 8.832 2.368 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.435 6.504 1.451 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.646 6.624 3.891 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.250 5.207 3.055 1.00 0.00 H new ATOM 0 HD1 TRP A 35 0.212 8.157 2.356 1.00 0.00 H new ATOM 0 HE1 TRP A 35 2.107 7.311 0.810 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.526 3.417 1.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.735 4.925 -0.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.220 1.904 0.129 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.886 2.648 -0.907 1.00 0.00 H new ATOM 509 N ARG A 36 -4.437 8.649 3.390 1.00 0.00 N ATOM 510 CA ARG A 36 -5.461 9.076 4.337 1.00 0.00 C ATOM 511 C ARG A 36 -6.800 8.416 4.021 1.00 0.00 C ATOM 512 O ARG A 36 -7.427 7.815 4.894 1.00 0.00 O ATOM 513 CB ARG A 36 -5.609 10.598 4.308 1.00 0.00 C ATOM 514 CG ARG A 36 -6.541 11.139 5.380 1.00 0.00 C ATOM 515 CD ARG A 36 -7.213 12.428 4.934 1.00 0.00 C ATOM 516 NE ARG A 36 -8.251 12.187 3.935 1.00 0.00 N ATOM 517 CZ ARG A 36 -9.212 13.059 3.649 1.00 0.00 C ATOM 518 NH1 ARG A 36 -9.267 14.222 4.282 1.00 0.00 N ATOM 519 NH2 ARG A 36 -10.119 12.767 2.726 1.00 0.00 N ATOM 0 H ARG A 36 -4.047 9.401 2.823 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.150 8.768 5.335 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.626 11.053 4.430 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.981 10.900 3.329 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.301 10.393 5.614 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.978 11.319 6.296 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.651 12.926 5.799 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.464 13.104 4.522 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.237 11.301 3.429 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.570 14.450 4.991 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.006 14.889 4.060 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.079 11.873 2.236 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.857 13.436 2.506 1.00 0.00 H new ATOM 533 N ASP A 37 -7.233 8.535 2.772 1.00 0.00 N ATOM 534 CA ASP A 37 -8.498 7.951 2.341 1.00 0.00 C ATOM 535 C ASP A 37 -8.436 6.427 2.386 1.00 0.00 C ATOM 536 O ASP A 37 -9.294 5.778 2.981 1.00 0.00 O ATOM 537 CB ASP A 37 -8.845 8.418 0.927 1.00 0.00 C ATOM 538 CG ASP A 37 -7.728 8.151 -0.062 1.00 0.00 C ATOM 539 OD1 ASP A 37 -6.608 8.658 0.158 1.00 0.00 O ATOM 540 OD2 ASP A 37 -7.973 7.437 -1.056 1.00 0.00 O ATOM 0 H ASP A 37 -6.727 9.031 2.039 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.276 8.286 3.027 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.751 7.912 0.593 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.064 9.486 0.944 1.00 0.00 H new ATOM 545 N GLY A 38 -7.414 5.863 1.751 1.00 0.00 N ATOM 546 CA GLY A 38 -7.259 4.420 1.729 1.00 0.00 C ATOM 547 C GLY A 38 -6.994 3.886 0.336 1.00 0.00 C ATOM 548 O GLY A 38 -6.263 2.910 0.165 1.00 0.00 O ATOM 0 H GLY A 38 -6.690 6.379 1.251 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.437 4.136 2.386 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.161 3.955 2.127 1.00 0.00 H new ATOM 552 N LEU A 39 -7.591 4.525 -0.664 1.00 0.00 N ATOM 553 CA LEU A 39 -7.417 4.108 -2.051 1.00 0.00 C ATOM 554 C LEU A 39 -5.993 3.619 -2.299 1.00 0.00 C ATOM 555 O LEU A 39 -5.781 2.482 -2.721 1.00 0.00 O ATOM 556 CB LEU A 39 -7.743 5.264 -2.997 1.00 0.00 C ATOM 557 CG LEU A 39 -9.190 5.757 -2.982 1.00 0.00 C ATOM 558 CD1 LEU A 39 -9.321 7.055 -3.764 1.00 0.00 C ATOM 559 CD2 LEU A 39 -10.121 4.695 -3.549 1.00 0.00 C ATOM 0 H LEU A 39 -8.200 5.334 -0.540 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.103 3.284 -2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.092 6.103 -2.751 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.496 4.956 -4.013 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.477 5.950 -1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.358 7.390 -3.742 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.684 7.817 -3.314 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.015 6.890 -4.797 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.147 5.063 -3.531 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.834 4.471 -4.576 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.050 3.789 -2.947 1.00 0.00 H new ATOM 571 N ALA A 40 -5.021 4.485 -2.031 1.00 0.00 N ATOM 572 CA ALA A 40 -3.617 4.141 -2.221 1.00 0.00 C ATOM 573 C ALA A 40 -3.366 2.670 -1.905 1.00 0.00 C ATOM 574 O ALA A 40 -2.807 1.937 -2.721 1.00 0.00 O ATOM 575 CB ALA A 40 -2.735 5.027 -1.353 1.00 0.00 C ATOM 0 H ALA A 40 -5.180 5.430 -1.682 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.365 4.310 -3.268 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.689 4.759 -1.505 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.886 6.071 -1.627 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.997 4.886 -0.304 1.00 0.00 H new ATOM 581 N PHE A 41 -3.783 2.245 -0.718 1.00 0.00 N ATOM 582 CA PHE A 41 -3.600 0.861 -0.294 1.00 0.00 C ATOM 583 C PHE A 41 -4.426 -0.087 -1.160 1.00 0.00 C ATOM 584 O PHE A 41 -3.965 -1.164 -1.532 1.00 0.00 O ATOM 585 CB PHE A 41 -3.995 0.699 1.176 1.00 0.00 C ATOM 586 CG PHE A 41 -2.988 1.271 2.132 1.00 0.00 C ATOM 587 CD1 PHE A 41 -1.678 0.818 2.134 1.00 0.00 C ATOM 588 CD2 PHE A 41 -3.351 2.260 3.032 1.00 0.00 C ATOM 589 CE1 PHE A 41 -0.749 1.343 3.012 1.00 0.00 C ATOM 590 CE2 PHE A 41 -2.427 2.789 3.913 1.00 0.00 C ATOM 591 CZ PHE A 41 -1.125 2.328 3.904 1.00 0.00 C ATOM 0 H PHE A 41 -4.250 2.838 -0.032 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.546 0.608 -0.411 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -4.957 1.183 1.341 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.130 -0.361 1.393 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.380 0.045 1.441 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.368 2.622 3.045 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.269 0.984 3.001 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.722 3.562 4.607 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.402 2.737 4.594 1.00 0.00 H new ATOM 601 N ASN A 42 -5.649 0.325 -1.476 1.00 0.00 N ATOM 602 CA ASN A 42 -6.540 -0.485 -2.298 1.00 0.00 C ATOM 603 C ASN A 42 -6.119 -0.443 -3.764 1.00 0.00 C ATOM 604 O ASN A 42 -6.778 -1.020 -4.627 1.00 0.00 O ATOM 605 CB ASN A 42 -7.984 0.002 -2.157 1.00 0.00 C ATOM 606 CG ASN A 42 -8.491 -0.097 -0.730 1.00 0.00 C ATOM 607 OD1 ASN A 42 -8.679 -1.192 -0.202 1.00 0.00 O ATOM 608 ND2 ASN A 42 -8.713 1.051 -0.101 1.00 0.00 N ATOM 0 H ASN A 42 -6.046 1.215 -1.175 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.475 -1.516 -1.949 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.050 1.037 -2.492 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.628 -0.586 -2.810 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.054 1.048 0.860 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.543 1.936 -0.579 1.00 0.00 H new ATOM 615 N ALA A 43 -5.014 0.245 -4.036 1.00 0.00 N ATOM 616 CA ALA A 43 -4.503 0.361 -5.395 1.00 0.00 C ATOM 617 C ALA A 43 -3.362 -0.622 -5.639 1.00 0.00 C ATOM 618 O ALA A 43 -3.273 -1.232 -6.705 1.00 0.00 O ATOM 619 CB ALA A 43 -4.040 1.786 -5.666 1.00 0.00 C ATOM 0 H ALA A 43 -4.457 0.730 -3.333 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.313 0.116 -6.082 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.661 1.858 -6.685 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.879 2.471 -5.542 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.249 2.051 -4.965 1.00 0.00 H new ATOM 625 N ILE A 44 -2.493 -0.770 -4.645 1.00 0.00 N ATOM 626 CA ILE A 44 -1.359 -1.680 -4.753 1.00 0.00 C ATOM 627 C ILE A 44 -1.825 -3.118 -4.950 1.00 0.00 C ATOM 628 O ILE A 44 -1.386 -3.804 -5.873 1.00 0.00 O ATOM 629 CB ILE A 44 -0.462 -1.610 -3.503 1.00 0.00 C ATOM 630 CG1 ILE A 44 0.041 -0.181 -3.288 1.00 0.00 C ATOM 631 CG2 ILE A 44 0.708 -2.573 -3.637 1.00 0.00 C ATOM 632 CD1 ILE A 44 0.508 0.090 -1.875 1.00 0.00 C ATOM 0 H ILE A 44 -2.552 -0.272 -3.757 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.783 -1.365 -5.623 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.052 -1.902 -2.634 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.863 0.014 -3.977 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.757 0.518 -3.538 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.333 -2.512 -2.746 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.331 -3.590 -3.748 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.299 -2.308 -4.514 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.850 1.122 -1.797 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.317 -0.072 -1.182 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.328 -0.584 -1.627 1.00 0.00 H new ATOM 644 N VAL A 45 -2.721 -3.570 -4.076 1.00 0.00 N ATOM 645 CA VAL A 45 -3.249 -4.927 -4.156 1.00 0.00 C ATOM 646 C VAL A 45 -4.056 -5.128 -5.433 1.00 0.00 C ATOM 647 O VAL A 45 -3.737 -5.990 -6.253 1.00 0.00 O ATOM 648 CB VAL A 45 -4.140 -5.253 -2.942 1.00 0.00 C ATOM 649 CG1 VAL A 45 -4.680 -6.672 -3.043 1.00 0.00 C ATOM 650 CG2 VAL A 45 -3.367 -5.060 -1.647 1.00 0.00 C ATOM 0 H VAL A 45 -3.095 -3.016 -3.306 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.393 -5.601 -4.162 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.986 -4.566 -2.939 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.307 -6.885 -2.177 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.271 -6.772 -3.953 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.849 -7.376 -3.071 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.012 -5.295 -0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.501 -5.722 -1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.033 -4.025 -1.573 1.00 0.00 H new ATOM 660 N HIS A 46 -5.103 -4.326 -5.599 1.00 0.00 N ATOM 661 CA HIS A 46 -5.956 -4.415 -6.779 1.00 0.00 C ATOM 662 C HIS A 46 -5.135 -4.752 -8.019 1.00 0.00 C ATOM 663 O HIS A 46 -5.534 -5.584 -8.834 1.00 0.00 O ATOM 664 CB HIS A 46 -6.706 -3.100 -6.991 1.00 0.00 C ATOM 665 CG HIS A 46 -7.703 -3.153 -8.109 1.00 0.00 C ATOM 666 ND1 HIS A 46 -7.537 -2.475 -9.298 1.00 0.00 N ATOM 667 CD2 HIS A 46 -8.882 -3.811 -8.213 1.00 0.00 C ATOM 668 CE1 HIS A 46 -8.571 -2.712 -10.084 1.00 0.00 C ATOM 669 NE2 HIS A 46 -9.402 -3.520 -9.450 1.00 0.00 N ATOM 0 H HIS A 46 -5.381 -3.607 -4.931 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.678 -5.215 -6.616 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.221 -2.832 -6.068 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.985 -2.309 -7.195 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.330 -4.446 -7.463 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.713 -2.313 -11.077 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -10.286 -3.871 -9.819 1.00 0.00 H new ATOM 678 N LYS A 47 -3.984 -4.101 -8.155 1.00 0.00 N ATOM 679 CA LYS A 47 -3.105 -4.332 -9.295 1.00 0.00 C ATOM 680 C LYS A 47 -2.673 -5.793 -9.362 1.00 0.00 C ATOM 681 O LYS A 47 -2.708 -6.414 -10.426 1.00 0.00 O ATOM 682 CB LYS A 47 -1.873 -3.428 -9.206 1.00 0.00 C ATOM 683 CG LYS A 47 -1.090 -3.338 -10.505 1.00 0.00 C ATOM 684 CD LYS A 47 -1.794 -2.454 -11.521 1.00 0.00 C ATOM 685 CE LYS A 47 -0.834 -1.966 -12.595 1.00 0.00 C ATOM 686 NZ LYS A 47 -1.554 -1.352 -13.745 1.00 0.00 N ATOM 0 H LYS A 47 -3.639 -3.409 -7.490 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.659 -4.094 -10.203 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.188 -2.427 -8.911 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.216 -3.800 -8.420 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.095 -2.941 -10.304 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.957 -4.337 -10.921 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.609 -3.009 -11.985 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.240 -1.598 -11.014 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.148 -1.236 -12.165 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.230 -2.801 -12.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.865 -1.032 -14.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.190 -2.055 -14.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.111 -0.539 -13.412 1.00 0.00 H new ATOM 700 N HIS A 48 -2.265 -6.338 -8.220 1.00 0.00 N ATOM 701 CA HIS A 48 -1.828 -7.728 -8.150 1.00 0.00 C ATOM 702 C HIS A 48 -3.022 -8.676 -8.191 1.00 0.00 C ATOM 703 O HIS A 48 -3.088 -9.570 -9.036 1.00 0.00 O ATOM 704 CB HIS A 48 -1.018 -7.965 -6.875 1.00 0.00 C ATOM 705 CG HIS A 48 0.005 -6.903 -6.609 1.00 0.00 C ATOM 706 ND1 HIS A 48 0.237 -6.157 -5.504 1.00 0.00 N flip ATOM 707 CD2 HIS A 48 0.937 -6.504 -7.543 1.00 0.00 C flip ATOM 708 CE1 HIS A 48 1.295 -5.328 -5.789 1.00 0.00 C flip ATOM 709 NE2 HIS A 48 1.699 -5.558 -7.025 1.00 0.00 N flip ATOM 0 H HIS A 48 -2.228 -5.839 -7.331 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.197 -7.929 -9.016 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.700 -8.022 -6.026 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.517 -8.931 -6.947 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -0.277 -6.202 -4.624 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.030 -6.903 -8.542 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.726 -4.605 -5.112 1.00 0.00 H new ATOM 718 N ARG A 49 -3.964 -8.476 -7.275 1.00 0.00 N ATOM 719 CA ARG A 49 -5.154 -9.313 -7.207 1.00 0.00 C ATOM 720 C ARG A 49 -6.421 -8.471 -7.326 1.00 0.00 C ATOM 721 O ARG A 49 -7.016 -8.056 -6.331 1.00 0.00 O ATOM 722 CB ARG A 49 -5.175 -10.101 -5.896 1.00 0.00 C ATOM 723 CG ARG A 49 -4.035 -11.098 -5.766 1.00 0.00 C ATOM 724 CD ARG A 49 -4.424 -12.462 -6.316 1.00 0.00 C ATOM 725 NE ARG A 49 -4.777 -12.400 -7.731 1.00 0.00 N ATOM 726 CZ ARG A 49 -3.897 -12.540 -8.716 1.00 0.00 C ATOM 727 NH1 ARG A 49 -2.617 -12.748 -8.441 1.00 0.00 N ATOM 728 NH2 ARG A 49 -4.296 -12.472 -9.979 1.00 0.00 N ATOM 0 H ARG A 49 -3.925 -7.741 -6.569 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.123 -10.011 -8.043 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.132 -9.402 -5.061 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.123 -10.633 -5.817 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.161 -10.725 -6.300 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.752 -11.194 -4.718 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.596 -13.158 -6.179 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.268 -12.855 -5.749 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.754 -12.240 -7.977 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.306 -12.801 -7.471 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.943 -12.855 -9.199 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.280 -12.312 -10.195 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.619 -12.580 -10.734 1.00 0.00 H new ATOM 742 N PRO A 50 -6.842 -8.209 -8.572 1.00 0.00 N ATOM 743 CA PRO A 50 -8.041 -7.413 -8.851 1.00 0.00 C ATOM 744 C PRO A 50 -9.323 -8.142 -8.466 1.00 0.00 C ATOM 745 O PRO A 50 -10.425 -7.640 -8.688 1.00 0.00 O ATOM 746 CB PRO A 50 -7.982 -7.201 -10.366 1.00 0.00 C ATOM 747 CG PRO A 50 -7.184 -8.351 -10.879 1.00 0.00 C ATOM 748 CD PRO A 50 -6.181 -8.670 -9.805 1.00 0.00 C ATOM 0 HA PRO A 50 -8.057 -6.486 -8.277 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.981 -7.186 -10.803 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.511 -6.250 -10.615 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.824 -9.210 -11.083 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.686 -8.095 -11.814 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -5.959 -9.736 -9.767 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.236 -8.153 -9.972 1.00 0.00 H new ATOM 756 N ASP A 51 -9.173 -9.328 -7.887 1.00 0.00 N ATOM 757 CA ASP A 51 -10.320 -10.125 -7.468 1.00 0.00 C ATOM 758 C ASP A 51 -10.680 -9.838 -6.014 1.00 0.00 C ATOM 759 O ASP A 51 -11.854 -9.688 -5.672 1.00 0.00 O ATOM 760 CB ASP A 51 -10.025 -11.615 -7.648 1.00 0.00 C ATOM 761 CG ASP A 51 -11.190 -12.491 -7.231 1.00 0.00 C ATOM 762 OD1 ASP A 51 -12.233 -12.454 -7.915 1.00 0.00 O ATOM 763 OD2 ASP A 51 -11.058 -13.213 -6.220 1.00 0.00 O ATOM 0 H ASP A 51 -8.268 -9.759 -7.697 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.169 -9.852 -8.094 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.783 -11.811 -8.693 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.146 -11.882 -7.062 1.00 0.00 H new ATOM 768 N LEU A 52 -9.664 -9.763 -5.161 1.00 0.00 N ATOM 769 CA LEU A 52 -9.874 -9.494 -3.743 1.00 0.00 C ATOM 770 C LEU A 52 -10.837 -8.327 -3.546 1.00 0.00 C ATOM 771 O LEU A 52 -11.901 -8.481 -2.944 1.00 0.00 O ATOM 772 CB LEU A 52 -8.540 -9.190 -3.059 1.00 0.00 C ATOM 773 CG LEU A 52 -7.484 -10.294 -3.127 1.00 0.00 C ATOM 774 CD1 LEU A 52 -6.259 -9.913 -2.310 1.00 0.00 C ATOM 775 CD2 LEU A 52 -8.062 -11.615 -2.641 1.00 0.00 C ATOM 0 H LEU A 52 -8.687 -9.885 -5.427 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.313 -10.383 -3.291 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.123 -8.288 -3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.735 -8.965 -2.010 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.178 -10.414 -4.166 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.519 -10.711 -2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.832 -8.991 -2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.548 -9.764 -1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.297 -12.389 -2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.396 -11.508 -1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.908 -11.895 -3.269 1.00 0.00 H new ATOM 787 N LEU A 53 -10.458 -7.162 -4.060 1.00 0.00 N ATOM 788 CA LEU A 53 -11.290 -5.969 -3.943 1.00 0.00 C ATOM 789 C LEU A 53 -11.601 -5.386 -5.317 1.00 0.00 C ATOM 790 O LEU A 53 -10.823 -5.541 -6.259 1.00 0.00 O ATOM 791 CB LEU A 53 -10.589 -4.919 -3.078 1.00 0.00 C ATOM 792 CG LEU A 53 -9.213 -4.460 -3.561 1.00 0.00 C ATOM 793 CD1 LEU A 53 -8.883 -3.086 -3.001 1.00 0.00 C ATOM 794 CD2 LEU A 53 -8.145 -5.470 -3.166 1.00 0.00 C ATOM 0 H LEU A 53 -9.581 -7.018 -4.561 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.229 -6.255 -3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.237 -4.045 -3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.483 -5.320 -2.070 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.235 -4.391 -4.649 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.900 -2.775 -3.355 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.632 -2.368 -3.334 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.880 -3.128 -1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.172 -5.127 -3.518 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.123 -5.571 -2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.374 -6.436 -3.616 1.00 0.00 H new ATOM 806 N ASP A 54 -12.742 -4.713 -5.425 1.00 0.00 N ATOM 807 CA ASP A 54 -13.155 -4.104 -6.683 1.00 0.00 C ATOM 808 C ASP A 54 -12.950 -2.593 -6.648 1.00 0.00 C ATOM 809 O ASP A 54 -13.891 -1.833 -6.419 1.00 0.00 O ATOM 810 CB ASP A 54 -14.622 -4.425 -6.972 1.00 0.00 C ATOM 811 CG ASP A 54 -14.877 -5.916 -7.081 1.00 0.00 C ATOM 812 OD1 ASP A 54 -14.646 -6.480 -8.171 1.00 0.00 O ATOM 813 OD2 ASP A 54 -15.307 -6.519 -6.076 1.00 0.00 O ATOM 0 H ASP A 54 -13.397 -4.576 -4.655 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.537 -4.518 -7.479 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.245 -4.010 -6.180 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.921 -3.939 -7.901 1.00 0.00 H new ATOM 818 N PHE A 55 -11.713 -2.162 -6.876 1.00 0.00 N ATOM 819 CA PHE A 55 -11.384 -0.741 -6.867 1.00 0.00 C ATOM 820 C PHE A 55 -12.450 0.067 -7.600 1.00 0.00 C ATOM 821 O PHE A 55 -12.845 1.143 -7.151 1.00 0.00 O ATOM 822 CB PHE A 55 -10.017 -0.510 -7.515 1.00 0.00 C ATOM 823 CG PHE A 55 -9.336 0.744 -7.044 1.00 0.00 C ATOM 824 CD1 PHE A 55 -8.922 0.870 -5.728 1.00 0.00 C ATOM 825 CD2 PHE A 55 -9.112 1.795 -7.918 1.00 0.00 C ATOM 826 CE1 PHE A 55 -8.295 2.023 -5.292 1.00 0.00 C ATOM 827 CE2 PHE A 55 -8.484 2.949 -7.488 1.00 0.00 C ATOM 828 CZ PHE A 55 -8.077 3.063 -6.173 1.00 0.00 C ATOM 0 H PHE A 55 -10.922 -2.777 -7.069 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.348 -0.407 -5.830 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.374 -1.365 -7.304 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.140 -0.463 -8.597 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.091 0.059 -5.035 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.431 1.712 -8.946 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.976 2.110 -4.264 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.312 3.761 -8.179 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.589 3.965 -5.834 1.00 0.00 H new ATOM 838 N GLU A 56 -12.911 -0.458 -8.730 1.00 0.00 N ATOM 839 CA GLU A 56 -13.930 0.216 -9.526 1.00 0.00 C ATOM 840 C GLU A 56 -15.175 0.498 -8.690 1.00 0.00 C ATOM 841 O GLU A 56 -15.805 1.546 -8.830 1.00 0.00 O ATOM 842 CB GLU A 56 -14.301 -0.632 -10.745 1.00 0.00 C ATOM 843 CG GLU A 56 -13.325 -0.498 -11.901 1.00 0.00 C ATOM 844 CD GLU A 56 -13.939 -0.885 -13.231 1.00 0.00 C ATOM 845 OE1 GLU A 56 -14.359 -2.054 -13.373 1.00 0.00 O ATOM 846 OE2 GLU A 56 -14.001 -0.023 -14.132 1.00 0.00 O ATOM 0 H GLU A 56 -12.595 -1.348 -9.115 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.519 1.167 -9.866 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -14.355 -1.679 -10.446 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.296 -0.346 -11.086 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.971 0.531 -11.955 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.454 -1.125 -11.711 1.00 0.00 H new ATOM 853 N SER A 57 -15.523 -0.446 -7.822 1.00 0.00 N ATOM 854 CA SER A 57 -16.695 -0.302 -6.965 1.00 0.00 C ATOM 855 C SER A 57 -16.436 0.712 -5.855 1.00 0.00 C ATOM 856 O SER A 57 -17.291 1.542 -5.545 1.00 0.00 O ATOM 857 CB SER A 57 -17.077 -1.653 -6.358 1.00 0.00 C ATOM 858 OG SER A 57 -17.695 -2.489 -7.322 1.00 0.00 O ATOM 0 H SER A 57 -15.011 -1.319 -7.693 1.00 0.00 H new ATOM 0 HA SER A 57 -17.520 0.060 -7.578 1.00 0.00 H new ATOM 0 HB2 SER A 57 -16.187 -2.143 -5.964 1.00 0.00 H new ATOM 0 HB3 SER A 57 -17.754 -1.499 -5.518 1.00 0.00 H new ATOM 0 HG SER A 57 -17.928 -3.347 -6.910 1.00 0.00 H new ATOM 864 N LEU A 58 -15.250 0.639 -5.261 1.00 0.00 N ATOM 865 CA LEU A 58 -14.876 1.550 -4.186 1.00 0.00 C ATOM 866 C LEU A 58 -14.965 3.002 -4.645 1.00 0.00 C ATOM 867 O LEU A 58 -14.734 3.310 -5.815 1.00 0.00 O ATOM 868 CB LEU A 58 -13.458 1.242 -3.700 1.00 0.00 C ATOM 869 CG LEU A 58 -13.169 -0.218 -3.352 1.00 0.00 C ATOM 870 CD1 LEU A 58 -11.678 -0.431 -3.137 1.00 0.00 C ATOM 871 CD2 LEU A 58 -13.953 -0.638 -2.117 1.00 0.00 C ATOM 0 H LEU A 58 -14.531 -0.042 -5.506 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.575 1.406 -3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.755 1.557 -4.471 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.258 1.851 -2.819 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.487 -0.840 -4.189 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.492 -1.476 -2.890 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.138 -0.171 -4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.334 0.202 -2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.735 -1.680 -1.884 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.667 -0.010 -1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -15.020 -0.525 -2.308 1.00 0.00 H new ATOM 883 N LYS A 59 -15.299 3.891 -3.716 1.00 0.00 N ATOM 884 CA LYS A 59 -15.415 5.311 -4.024 1.00 0.00 C ATOM 885 C LYS A 59 -14.533 6.142 -3.097 1.00 0.00 C ATOM 886 O LYS A 59 -14.536 5.949 -1.881 1.00 0.00 O ATOM 887 CB LYS A 59 -16.872 5.764 -3.900 1.00 0.00 C ATOM 888 CG LYS A 59 -17.105 7.194 -4.352 1.00 0.00 C ATOM 889 CD LYS A 59 -17.556 7.254 -5.802 1.00 0.00 C ATOM 890 CE LYS A 59 -16.376 7.419 -6.746 1.00 0.00 C ATOM 891 NZ LYS A 59 -15.779 8.780 -6.656 1.00 0.00 N ATOM 0 H LYS A 59 -15.494 3.653 -2.744 1.00 0.00 H new ATOM 0 HA LYS A 59 -15.080 5.463 -5.050 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -17.502 5.098 -4.490 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -17.187 5.664 -2.861 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -17.858 7.659 -3.716 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -16.187 7.769 -4.232 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -18.100 6.343 -6.053 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -18.248 8.085 -5.935 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -15.616 6.673 -6.511 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -16.701 7.232 -7.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.819 9.239 -7.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -16.312 9.348 -5.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.788 8.705 -6.349 1.00 0.00 H new ATOM 905 N LYS A 60 -13.781 7.070 -3.679 1.00 0.00 N ATOM 906 CA LYS A 60 -12.896 7.934 -2.907 1.00 0.00 C ATOM 907 C LYS A 60 -13.557 8.362 -1.601 1.00 0.00 C ATOM 908 O LYS A 60 -12.901 8.453 -0.562 1.00 0.00 O ATOM 909 CB LYS A 60 -12.512 9.169 -3.726 1.00 0.00 C ATOM 910 CG LYS A 60 -13.645 10.167 -3.887 1.00 0.00 C ATOM 911 CD LYS A 60 -13.174 11.437 -4.577 1.00 0.00 C ATOM 912 CE LYS A 60 -12.583 12.425 -3.583 1.00 0.00 C ATOM 913 NZ LYS A 60 -13.639 13.192 -2.868 1.00 0.00 N ATOM 0 H LYS A 60 -13.767 7.243 -4.684 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.995 7.369 -2.669 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -11.668 9.665 -3.247 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.176 8.850 -4.713 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.450 9.715 -4.465 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.056 10.414 -2.908 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.427 11.187 -5.331 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -14.011 11.901 -5.099 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.971 11.888 -2.858 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.924 13.117 -4.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.195 13.854 -2.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.208 13.724 -3.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.253 12.534 -2.347 1.00 0.00 H new ATOM 927 N CYS A 61 -14.859 8.622 -1.660 1.00 0.00 N ATOM 928 CA CYS A 61 -15.608 9.040 -0.481 1.00 0.00 C ATOM 929 C CYS A 61 -15.290 8.145 0.712 1.00 0.00 C ATOM 930 O CYS A 61 -14.856 8.622 1.760 1.00 0.00 O ATOM 931 CB CYS A 61 -17.110 9.010 -0.769 1.00 0.00 C ATOM 932 SG CYS A 61 -18.107 9.949 0.411 1.00 0.00 S ATOM 0 H CYS A 61 -15.417 8.551 -2.511 1.00 0.00 H new ATOM 0 HA CYS A 61 -15.312 10.060 -0.236 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -17.285 9.404 -1.770 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -17.448 7.974 -0.770 1.00 0.00 H new ATOM 0 HG CYS A 61 -19.362 9.865 0.082 1.00 0.00 H new ATOM 938 N ASN A 62 -15.510 6.844 0.545 1.00 0.00 N ATOM 939 CA ASN A 62 -15.249 5.883 1.609 1.00 0.00 C ATOM 940 C ASN A 62 -13.776 5.899 2.007 1.00 0.00 C ATOM 941 O ASN A 62 -12.896 5.656 1.181 1.00 0.00 O ATOM 942 CB ASN A 62 -15.653 4.475 1.164 1.00 0.00 C ATOM 943 CG ASN A 62 -17.149 4.246 1.260 1.00 0.00 C ATOM 944 OD1 ASN A 62 -17.809 3.954 0.262 1.00 0.00 O ATOM 945 ND2 ASN A 62 -17.691 4.378 2.465 1.00 0.00 N ATOM 0 H ASN A 62 -15.868 6.432 -0.317 1.00 0.00 H new ATOM 0 HA ASN A 62 -15.845 6.168 2.476 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -15.329 4.315 0.136 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -15.135 3.740 1.780 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -18.693 4.236 2.592 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -17.105 4.621 3.264 1.00 0.00 H new ATOM 952 N ALA A 63 -13.515 6.186 3.278 1.00 0.00 N ATOM 953 CA ALA A 63 -12.150 6.230 3.787 1.00 0.00 C ATOM 954 C ALA A 63 -11.903 5.116 4.798 1.00 0.00 C ATOM 955 O ALA A 63 -11.032 4.269 4.602 1.00 0.00 O ATOM 956 CB ALA A 63 -11.865 7.588 4.415 1.00 0.00 C ATOM 0 H ALA A 63 -14.231 6.392 3.974 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.471 6.079 2.948 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.842 7.607 4.791 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.991 8.369 3.665 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -12.558 7.761 5.239 1.00 0.00 H new ATOM 962 N HIS A 64 -12.676 5.123 5.879 1.00 0.00 N ATOM 963 CA HIS A 64 -12.541 4.111 6.922 1.00 0.00 C ATOM 964 C HIS A 64 -12.804 2.716 6.363 1.00 0.00 C ATOM 965 O HIS A 64 -12.062 1.775 6.640 1.00 0.00 O ATOM 966 CB HIS A 64 -13.504 4.402 8.072 1.00 0.00 C ATOM 967 CG HIS A 64 -13.516 3.340 9.127 1.00 0.00 C ATOM 968 ND1 HIS A 64 -12.434 3.074 9.941 1.00 0.00 N ATOM 969 CD2 HIS A 64 -14.488 2.475 9.501 1.00 0.00 C ATOM 970 CE1 HIS A 64 -12.740 2.090 10.768 1.00 0.00 C ATOM 971 NE2 HIS A 64 -13.980 1.709 10.522 1.00 0.00 N ATOM 0 H HIS A 64 -13.402 5.817 6.056 1.00 0.00 H new ATOM 0 HA HIS A 64 -11.518 4.146 7.297 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -13.233 5.354 8.529 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.511 4.516 7.671 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -15.478 2.401 9.076 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -12.087 1.669 11.518 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -14.480 0.966 11.011 1.00 0.00 H new ATOM 980 N TYR A 65 -13.867 2.592 5.575 1.00 0.00 N ATOM 981 CA TYR A 65 -14.230 1.311 4.979 1.00 0.00 C ATOM 982 C TYR A 65 -13.144 0.826 4.025 1.00 0.00 C ATOM 983 O TYR A 65 -12.710 -0.324 4.093 1.00 0.00 O ATOM 984 CB TYR A 65 -15.562 1.430 4.237 1.00 0.00 C ATOM 985 CG TYR A 65 -15.968 0.165 3.514 1.00 0.00 C ATOM 986 CD1 TYR A 65 -16.626 -0.859 4.183 1.00 0.00 C ATOM 987 CD2 TYR A 65 -15.691 -0.006 2.163 1.00 0.00 C ATOM 988 CE1 TYR A 65 -16.998 -2.017 3.526 1.00 0.00 C ATOM 989 CE2 TYR A 65 -16.059 -1.159 1.499 1.00 0.00 C ATOM 990 CZ TYR A 65 -16.714 -2.162 2.185 1.00 0.00 C ATOM 991 OH TYR A 65 -17.081 -3.313 1.528 1.00 0.00 O ATOM 0 H TYR A 65 -14.492 3.362 5.334 1.00 0.00 H new ATOM 0 HA TYR A 65 -14.333 0.581 5.782 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -16.342 1.698 4.949 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -15.495 2.245 3.516 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -16.851 -0.749 5.234 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -15.179 0.777 1.623 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -17.509 -2.804 4.061 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -15.836 -1.276 0.449 1.00 0.00 H new ATOM 0 HH TYR A 65 -16.808 -3.255 0.589 1.00 0.00 H new ATOM 1001 N ASN A 66 -12.708 1.712 3.136 1.00 0.00 N ATOM 1002 CA ASN A 66 -11.672 1.376 2.166 1.00 0.00 C ATOM 1003 C ASN A 66 -10.369 1.004 2.868 1.00 0.00 C ATOM 1004 O ASN A 66 -9.686 0.059 2.474 1.00 0.00 O ATOM 1005 CB ASN A 66 -11.434 2.550 1.214 1.00 0.00 C ATOM 1006 CG ASN A 66 -12.328 2.493 -0.010 1.00 0.00 C ATOM 1007 OD1 ASN A 66 -12.127 1.667 -0.900 1.00 0.00 O ATOM 1008 ND2 ASN A 66 -13.321 3.373 -0.059 1.00 0.00 N ATOM 0 H ASN A 66 -13.056 2.668 3.067 1.00 0.00 H new ATOM 0 HA ASN A 66 -12.014 0.515 1.592 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.609 3.486 1.745 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.391 2.553 0.899 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -13.955 3.382 -0.858 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -13.450 4.040 0.702 1.00 0.00 H new ATOM 1015 N LEU A 67 -10.033 1.755 3.912 1.00 0.00 N ATOM 1016 CA LEU A 67 -8.812 1.505 4.671 1.00 0.00 C ATOM 1017 C LEU A 67 -8.831 0.110 5.290 1.00 0.00 C ATOM 1018 O LEU A 67 -8.081 -0.773 4.876 1.00 0.00 O ATOM 1019 CB LEU A 67 -8.645 2.559 5.766 1.00 0.00 C ATOM 1020 CG LEU A 67 -7.929 3.847 5.354 1.00 0.00 C ATOM 1021 CD1 LEU A 67 -8.255 4.971 6.325 1.00 0.00 C ATOM 1022 CD2 LEU A 67 -6.427 3.622 5.279 1.00 0.00 C ATOM 0 H LEU A 67 -10.588 2.541 4.252 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.968 1.566 3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.633 2.821 6.144 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.096 2.110 6.594 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.281 4.136 4.364 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.737 5.879 6.017 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.330 5.149 6.328 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.931 4.691 7.327 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.935 4.549 4.985 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.057 3.309 6.255 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.211 2.847 4.543 1.00 0.00 H new ATOM 1034 N GLN A 68 -9.696 -0.079 6.282 1.00 0.00 N ATOM 1035 CA GLN A 68 -9.814 -1.366 6.956 1.00 0.00 C ATOM 1036 C GLN A 68 -9.886 -2.506 5.945 1.00 0.00 C ATOM 1037 O GLN A 68 -9.283 -3.560 6.141 1.00 0.00 O ATOM 1038 CB GLN A 68 -11.054 -1.384 7.852 1.00 0.00 C ATOM 1039 CG GLN A 68 -12.361 -1.473 7.080 1.00 0.00 C ATOM 1040 CD GLN A 68 -13.573 -1.228 7.957 1.00 0.00 C ATOM 1041 OE1 GLN A 68 -13.732 -0.149 8.529 1.00 0.00 O ATOM 1042 NE2 GLN A 68 -14.438 -2.230 8.065 1.00 0.00 N ATOM 0 H GLN A 68 -10.324 0.642 6.636 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.926 -1.508 7.573 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.986 -2.231 8.535 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.063 -0.482 8.463 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.350 -0.744 6.269 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.442 -2.459 6.622 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.266 -3.107 7.573 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.274 -2.122 8.640 1.00 0.00 H new ATOM 1051 N ASN A 69 -10.628 -2.286 4.865 1.00 0.00 N ATOM 1052 CA ASN A 69 -10.780 -3.296 3.824 1.00 0.00 C ATOM 1053 C ASN A 69 -9.421 -3.833 3.386 1.00 0.00 C ATOM 1054 O ASN A 69 -9.212 -5.044 3.318 1.00 0.00 O ATOM 1055 CB ASN A 69 -11.521 -2.710 2.620 1.00 0.00 C ATOM 1056 CG ASN A 69 -11.909 -3.770 1.608 1.00 0.00 C ATOM 1057 OD1 ASN A 69 -12.532 -4.775 1.952 1.00 0.00 O ATOM 1058 ND2 ASN A 69 -11.540 -3.551 0.351 1.00 0.00 N ATOM 0 H ASN A 69 -11.133 -1.418 4.688 1.00 0.00 H new ATOM 0 HA ASN A 69 -11.362 -4.121 4.234 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.418 -2.195 2.964 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -10.890 -1.964 2.137 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -11.772 -4.230 -0.374 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -11.025 -2.704 0.111 1.00 0.00 H new ATOM 1065 N ALA A 70 -8.498 -2.924 3.088 1.00 0.00 N ATOM 1066 CA ALA A 70 -7.159 -3.305 2.660 1.00 0.00 C ATOM 1067 C ALA A 70 -6.380 -3.952 3.801 1.00 0.00 C ATOM 1068 O ALA A 70 -5.646 -4.919 3.596 1.00 0.00 O ATOM 1069 CB ALA A 70 -6.409 -2.093 2.127 1.00 0.00 C ATOM 0 H ALA A 70 -8.654 -1.917 3.136 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.256 -4.039 1.860 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.410 -2.393 1.811 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.949 -1.676 1.277 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.330 -1.340 2.911 1.00 0.00 H new ATOM 1075 N PHE A 71 -6.545 -3.412 5.004 1.00 0.00 N ATOM 1076 CA PHE A 71 -5.855 -3.935 6.178 1.00 0.00 C ATOM 1077 C PHE A 71 -6.202 -5.403 6.401 1.00 0.00 C ATOM 1078 O PHE A 71 -5.320 -6.233 6.620 1.00 0.00 O ATOM 1079 CB PHE A 71 -6.224 -3.117 7.417 1.00 0.00 C ATOM 1080 CG PHE A 71 -5.464 -1.827 7.533 1.00 0.00 C ATOM 1081 CD1 PHE A 71 -4.100 -1.831 7.777 1.00 0.00 C ATOM 1082 CD2 PHE A 71 -6.113 -0.611 7.397 1.00 0.00 C ATOM 1083 CE1 PHE A 71 -3.398 -0.645 7.885 1.00 0.00 C ATOM 1084 CE2 PHE A 71 -5.416 0.579 7.502 1.00 0.00 C ATOM 1085 CZ PHE A 71 -4.057 0.561 7.746 1.00 0.00 C ATOM 0 H PHE A 71 -7.150 -2.613 5.192 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.782 -3.856 6.006 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -7.292 -2.899 7.394 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.041 -3.719 8.307 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -3.579 -2.771 7.884 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.176 -0.592 7.207 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -2.335 -0.661 8.078 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.934 1.521 7.393 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.510 1.489 7.828 1.00 0.00 H new ATOM 1095 N ASN A 72 -7.493 -5.717 6.345 1.00 0.00 N ATOM 1096 CA ASN A 72 -7.956 -7.085 6.543 1.00 0.00 C ATOM 1097 C ASN A 72 -7.617 -7.954 5.335 1.00 0.00 C ATOM 1098 O ASN A 72 -7.050 -9.039 5.476 1.00 0.00 O ATOM 1099 CB ASN A 72 -9.466 -7.103 6.791 1.00 0.00 C ATOM 1100 CG ASN A 72 -9.878 -6.174 7.916 1.00 0.00 C ATOM 1101 OD1 ASN A 72 -10.685 -5.172 7.590 1.00 0.00 O flip ATOM 1102 ND2 ASN A 72 -9.476 -6.357 9.066 1.00 0.00 N flip ATOM 0 H ASN A 72 -8.236 -5.042 6.164 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.446 -7.493 7.416 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.985 -6.815 5.877 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.780 -8.119 7.029 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.856 -7.141 9.271 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.763 -5.725 9.813 1.00 0.00 H new ATOM 1109 N LEU A 73 -7.968 -7.471 4.149 1.00 0.00 N ATOM 1110 CA LEU A 73 -7.700 -8.202 2.916 1.00 0.00 C ATOM 1111 C LEU A 73 -6.238 -8.630 2.841 1.00 0.00 C ATOM 1112 O LEU A 73 -5.934 -9.804 2.638 1.00 0.00 O ATOM 1113 CB LEU A 73 -8.053 -7.341 1.702 1.00 0.00 C ATOM 1114 CG LEU A 73 -9.491 -7.455 1.194 1.00 0.00 C ATOM 1115 CD1 LEU A 73 -9.698 -6.569 -0.025 1.00 0.00 C ATOM 1116 CD2 LEU A 73 -9.828 -8.903 0.866 1.00 0.00 C ATOM 0 H LEU A 73 -8.439 -6.576 4.015 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.322 -9.097 2.913 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.859 -6.298 1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.379 -7.604 0.887 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.163 -7.116 1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.727 -6.663 -0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.498 -5.531 0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.017 -6.877 -0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.855 -8.965 0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.150 -9.268 0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.720 -9.514 1.762 1.00 0.00 H new ATOM 1128 N ALA A 74 -5.337 -7.668 3.011 1.00 0.00 N ATOM 1129 CA ALA A 74 -3.907 -7.945 2.967 1.00 0.00 C ATOM 1130 C ALA A 74 -3.457 -8.707 4.210 1.00 0.00 C ATOM 1131 O ALA A 74 -2.485 -9.460 4.168 1.00 0.00 O ATOM 1132 CB ALA A 74 -3.121 -6.650 2.829 1.00 0.00 C ATOM 0 H ALA A 74 -5.572 -6.690 3.180 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.711 -8.571 2.096 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.055 -6.873 2.798 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.413 -6.143 1.909 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.331 -6.004 3.681 1.00 0.00 H new ATOM 1138 N GLU A 75 -4.173 -8.506 5.312 1.00 0.00 N ATOM 1139 CA GLU A 75 -3.845 -9.174 6.567 1.00 0.00 C ATOM 1140 C GLU A 75 -4.324 -10.623 6.553 1.00 0.00 C ATOM 1141 O GLU A 75 -3.823 -11.462 7.302 1.00 0.00 O ATOM 1142 CB GLU A 75 -4.473 -8.429 7.746 1.00 0.00 C ATOM 1143 CG GLU A 75 -4.384 -9.185 9.061 1.00 0.00 C ATOM 1144 CD GLU A 75 -5.489 -10.211 9.219 1.00 0.00 C ATOM 1145 OE1 GLU A 75 -6.662 -9.862 8.972 1.00 0.00 O ATOM 1146 OE2 GLU A 75 -5.181 -11.363 9.591 1.00 0.00 O ATOM 0 H GLU A 75 -4.982 -7.887 5.362 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.761 -9.169 6.679 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.981 -7.463 7.858 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.521 -8.229 7.522 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.417 -9.685 9.124 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.431 -8.476 9.888 1.00 0.00 H new ATOM 1153 N LYS A 76 -5.297 -10.910 5.695 1.00 0.00 N ATOM 1154 CA LYS A 76 -5.846 -12.256 5.582 1.00 0.00 C ATOM 1155 C LYS A 76 -5.327 -12.950 4.325 1.00 0.00 C ATOM 1156 O LYS A 76 -4.688 -13.998 4.404 1.00 0.00 O ATOM 1157 CB LYS A 76 -7.375 -12.205 5.554 1.00 0.00 C ATOM 1158 CG LYS A 76 -8.031 -13.567 5.707 1.00 0.00 C ATOM 1159 CD LYS A 76 -9.477 -13.545 5.239 1.00 0.00 C ATOM 1160 CE LYS A 76 -10.424 -13.190 6.375 1.00 0.00 C ATOM 1161 NZ LYS A 76 -11.848 -13.220 5.939 1.00 0.00 N ATOM 0 H LYS A 76 -5.722 -10.228 5.067 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.524 -12.828 6.452 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.723 -11.551 6.354 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.698 -11.759 4.614 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.473 -14.307 5.133 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.990 -13.876 6.751 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.588 -12.822 4.431 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.744 -14.520 4.832 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.281 -13.889 7.199 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.181 -12.197 6.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.462 -12.973 6.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.990 -12.535 5.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.088 -14.174 5.601 1.00 0.00 H new ATOM 1175 N GLU A 77 -5.607 -12.356 3.169 1.00 0.00 N ATOM 1176 CA GLU A 77 -5.169 -12.919 1.897 1.00 0.00 C ATOM 1177 C GLU A 77 -3.653 -13.094 1.875 1.00 0.00 C ATOM 1178 O GLU A 77 -3.147 -14.216 1.836 1.00 0.00 O ATOM 1179 CB GLU A 77 -5.607 -12.021 0.739 1.00 0.00 C ATOM 1180 CG GLU A 77 -7.114 -11.874 0.619 1.00 0.00 C ATOM 1181 CD GLU A 77 -7.826 -13.211 0.539 1.00 0.00 C ATOM 1182 OE1 GLU A 77 -7.494 -14.006 -0.364 1.00 0.00 O ATOM 1183 OE2 GLU A 77 -8.714 -13.461 1.380 1.00 0.00 O ATOM 0 H GLU A 77 -6.134 -11.487 3.087 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.633 -13.899 1.782 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.163 -11.034 0.868 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.215 -12.427 -0.193 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.490 -11.317 1.477 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.349 -11.288 -0.270 1.00 0.00 H new ATOM 1190 N LEU A 78 -2.933 -11.978 1.897 1.00 0.00 N ATOM 1191 CA LEU A 78 -1.475 -12.006 1.878 1.00 0.00 C ATOM 1192 C LEU A 78 -0.925 -12.579 3.180 1.00 0.00 C ATOM 1193 O LEU A 78 -0.049 -13.443 3.169 1.00 0.00 O ATOM 1194 CB LEU A 78 -0.921 -10.599 1.651 1.00 0.00 C ATOM 1195 CG LEU A 78 -1.609 -9.773 0.564 1.00 0.00 C ATOM 1196 CD1 LEU A 78 -1.171 -8.319 0.640 1.00 0.00 C ATOM 1197 CD2 LEU A 78 -1.310 -10.350 -0.812 1.00 0.00 C ATOM 0 H LEU A 78 -3.336 -11.041 1.928 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.159 -12.650 1.057 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.984 -10.050 2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.137 -10.683 1.401 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.686 -9.815 0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.671 -7.747 -0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.436 -7.910 1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.092 -8.256 0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.807 -9.750 -1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.234 -10.338 -0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.674 -11.376 -0.863 1.00 0.00 H new ATOM 1209 N GLY A 79 -1.447 -12.092 4.302 1.00 0.00 N ATOM 1210 CA GLY A 79 -0.998 -12.569 5.598 1.00 0.00 C ATOM 1211 C GLY A 79 -0.076 -11.584 6.289 1.00 0.00 C ATOM 1212 O GLY A 79 0.883 -11.981 6.953 1.00 0.00 O ATOM 0 H GLY A 79 -2.173 -11.376 4.337 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.864 -12.758 6.232 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.481 -13.520 5.473 1.00 0.00 H new ATOM 1216 N LEU A 80 -0.363 -10.297 6.132 1.00 0.00 N ATOM 1217 CA LEU A 80 0.450 -9.252 6.746 1.00 0.00 C ATOM 1218 C LEU A 80 -0.189 -8.755 8.039 1.00 0.00 C ATOM 1219 O LEU A 80 -1.332 -9.091 8.350 1.00 0.00 O ATOM 1220 CB LEU A 80 0.634 -8.084 5.774 1.00 0.00 C ATOM 1221 CG LEU A 80 1.394 -8.397 4.485 1.00 0.00 C ATOM 1222 CD1 LEU A 80 0.963 -7.460 3.369 1.00 0.00 C ATOM 1223 CD2 LEU A 80 2.895 -8.301 4.716 1.00 0.00 C ATOM 0 H LEU A 80 -1.152 -9.951 5.585 1.00 0.00 H new ATOM 0 HA LEU A 80 1.425 -9.677 6.983 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.351 -7.701 5.507 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.158 -7.283 6.295 1.00 0.00 H new ATOM 0 HG LEU A 80 1.157 -9.417 4.184 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.515 -7.699 2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.105 -7.579 3.187 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.169 -6.430 3.659 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.421 -8.527 3.788 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.149 -7.292 5.041 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.191 -9.015 5.484 1.00 0.00 H new ATOM 1235 N THR A 81 0.557 -7.951 8.791 1.00 0.00 N ATOM 1236 CA THR A 81 0.065 -7.407 10.050 1.00 0.00 C ATOM 1237 C THR A 81 -0.196 -5.910 9.938 1.00 0.00 C ATOM 1238 O THR A 81 0.732 -5.119 9.760 1.00 0.00 O ATOM 1239 CB THR A 81 1.060 -7.659 11.198 1.00 0.00 C ATOM 1240 OG1 THR A 81 1.262 -9.066 11.372 1.00 0.00 O ATOM 1241 CG2 THR A 81 0.554 -7.049 12.497 1.00 0.00 C ATOM 0 H THR A 81 1.505 -7.662 8.549 1.00 0.00 H new ATOM 0 HA THR A 81 -0.871 -7.920 10.271 1.00 0.00 H new ATOM 0 HB THR A 81 2.007 -7.186 10.938 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.897 -9.217 12.103 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.274 -7.240 13.293 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.430 -5.974 12.370 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.405 -7.496 12.760 1.00 0.00 H new ATOM 1249 N LYS A 82 -1.463 -5.524 10.043 1.00 0.00 N ATOM 1250 CA LYS A 82 -1.846 -4.120 9.955 1.00 0.00 C ATOM 1251 C LYS A 82 -1.177 -3.304 11.056 1.00 0.00 C ATOM 1252 O LYS A 82 -1.784 -3.023 12.091 1.00 0.00 O ATOM 1253 CB LYS A 82 -3.367 -3.978 10.052 1.00 0.00 C ATOM 1254 CG LYS A 82 -3.964 -4.659 11.272 1.00 0.00 C ATOM 1255 CD LYS A 82 -5.474 -4.786 11.157 1.00 0.00 C ATOM 1256 CE LYS A 82 -6.003 -5.935 12.001 1.00 0.00 C ATOM 1257 NZ LYS A 82 -7.393 -5.683 12.472 1.00 0.00 N ATOM 0 H LYS A 82 -2.243 -6.165 10.189 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.513 -3.738 8.990 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.624 -2.919 10.075 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.821 -4.397 9.154 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.523 -5.649 11.390 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.713 -4.090 12.167 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.944 -3.855 11.473 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.748 -4.943 10.114 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -5.978 -6.855 11.418 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -5.350 -6.085 12.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -7.717 -6.489 13.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -7.412 -4.819 13.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -8.021 -5.565 11.652 1.00 0.00 H new ATOM 1271 N LEU A 83 0.075 -2.924 10.826 1.00 0.00 N ATOM 1272 CA LEU A 83 0.827 -2.137 11.799 1.00 0.00 C ATOM 1273 C LEU A 83 0.045 -0.895 12.215 1.00 0.00 C ATOM 1274 O LEU A 83 0.124 -0.454 13.362 1.00 0.00 O ATOM 1275 CB LEU A 83 2.181 -1.731 11.217 1.00 0.00 C ATOM 1276 CG LEU A 83 2.992 -2.848 10.559 1.00 0.00 C ATOM 1277 CD1 LEU A 83 4.237 -2.283 9.894 1.00 0.00 C ATOM 1278 CD2 LEU A 83 3.368 -3.908 11.585 1.00 0.00 C ATOM 0 H LEU A 83 0.591 -3.148 9.975 1.00 0.00 H new ATOM 0 HA LEU A 83 0.989 -2.754 12.683 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.016 -0.946 10.479 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.781 -1.296 12.016 1.00 0.00 H new ATOM 0 HG LEU A 83 2.375 -3.315 9.791 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.801 -3.092 9.431 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.946 -1.561 9.131 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.857 -1.790 10.642 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.945 -4.695 11.100 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.966 -3.454 12.375 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.462 -4.335 12.016 1.00 0.00 H new ATOM 1290 N LEU A 84 -0.711 -0.337 11.276 1.00 0.00 N ATOM 1291 CA LEU A 84 -1.509 0.854 11.544 1.00 0.00 C ATOM 1292 C LEU A 84 -2.994 0.511 11.612 1.00 0.00 C ATOM 1293 O LEU A 84 -3.377 -0.653 11.498 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.267 1.910 10.465 1.00 0.00 C ATOM 1295 CG LEU A 84 0.196 2.235 10.161 1.00 0.00 C ATOM 1296 CD1 LEU A 84 0.315 2.967 8.834 1.00 0.00 C ATOM 1297 CD2 LEU A 84 0.803 3.063 11.284 1.00 0.00 C ATOM 0 H LEU A 84 -0.788 -0.690 10.322 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.203 1.255 12.510 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.743 1.575 9.544 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.768 2.830 10.766 1.00 0.00 H new ATOM 0 HG LEU A 84 0.748 1.298 10.087 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.363 3.190 8.634 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.081 2.340 8.036 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.252 3.897 8.879 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.844 3.285 11.051 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.248 3.995 11.389 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.752 2.503 12.218 1.00 0.00 H new ATOM 1309 N ASP A 85 -3.824 1.531 11.796 1.00 0.00 N ATOM 1310 CA ASP A 85 -5.268 1.339 11.874 1.00 0.00 C ATOM 1311 C ASP A 85 -5.993 2.264 10.903 1.00 0.00 C ATOM 1312 O ASP A 85 -5.495 3.327 10.530 1.00 0.00 O ATOM 1313 CB ASP A 85 -5.760 1.588 13.301 1.00 0.00 C ATOM 1314 CG ASP A 85 -5.367 0.474 14.251 1.00 0.00 C ATOM 1315 OD1 ASP A 85 -5.554 -0.707 13.891 1.00 0.00 O ATOM 1316 OD2 ASP A 85 -4.873 0.784 15.356 1.00 0.00 O ATOM 0 H ASP A 85 -3.522 2.500 11.894 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.488 0.308 11.597 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.352 2.532 13.663 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.845 1.691 13.295 1.00 0.00 H new ATOM 1321 N PRO A 86 -7.198 1.853 10.481 1.00 0.00 N ATOM 1322 CA PRO A 86 -8.018 2.630 9.547 1.00 0.00 C ATOM 1323 C PRO A 86 -8.567 3.905 10.180 1.00 0.00 C ATOM 1324 O PRO A 86 -9.263 4.682 9.528 1.00 0.00 O ATOM 1325 CB PRO A 86 -9.160 1.674 9.196 1.00 0.00 C ATOM 1326 CG PRO A 86 -9.256 0.754 10.364 1.00 0.00 C ATOM 1327 CD PRO A 86 -7.853 0.597 10.883 1.00 0.00 C ATOM 0 HA PRO A 86 -7.444 2.965 8.683 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.094 2.214 9.039 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.950 1.127 8.277 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -9.912 1.164 11.131 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -9.673 -0.209 10.069 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -7.837 0.464 11.965 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.358 -0.271 10.448 1.00 0.00 H new ATOM 1335 N GLU A 87 -8.247 4.113 11.454 1.00 0.00 N ATOM 1336 CA GLU A 87 -8.709 5.294 12.173 1.00 0.00 C ATOM 1337 C GLU A 87 -7.542 6.223 12.499 1.00 0.00 C ATOM 1338 O GLU A 87 -7.650 7.442 12.365 1.00 0.00 O ATOM 1339 CB GLU A 87 -9.426 4.886 13.461 1.00 0.00 C ATOM 1340 CG GLU A 87 -10.822 4.333 13.232 1.00 0.00 C ATOM 1341 CD GLU A 87 -11.616 4.204 14.517 1.00 0.00 C ATOM 1342 OE1 GLU A 87 -11.498 5.099 15.379 1.00 0.00 O ATOM 1343 OE2 GLU A 87 -12.356 3.208 14.661 1.00 0.00 O ATOM 0 H GLU A 87 -7.671 3.480 12.008 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.409 5.829 11.531 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.828 4.136 13.978 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.491 5.752 14.120 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.358 4.984 12.542 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.748 3.356 12.755 1.00 0.00 H new ATOM 1350 N ASP A 88 -6.430 5.638 12.929 1.00 0.00 N ATOM 1351 CA ASP A 88 -5.243 6.411 13.275 1.00 0.00 C ATOM 1352 C ASP A 88 -4.649 7.076 12.037 1.00 0.00 C ATOM 1353 O ASP A 88 -4.334 8.267 12.049 1.00 0.00 O ATOM 1354 CB ASP A 88 -4.198 5.513 13.938 1.00 0.00 C ATOM 1355 CG ASP A 88 -4.630 5.039 15.312 1.00 0.00 C ATOM 1356 OD1 ASP A 88 -4.485 5.816 16.279 1.00 0.00 O ATOM 1357 OD2 ASP A 88 -5.110 3.892 15.420 1.00 0.00 O ATOM 0 H ASP A 88 -6.326 4.630 13.046 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.539 7.190 13.978 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -4.009 4.649 13.301 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.257 6.057 14.024 1.00 0.00 H new ATOM 1362 N VAL A 89 -4.497 6.299 10.969 1.00 0.00 N ATOM 1363 CA VAL A 89 -3.940 6.812 9.723 1.00 0.00 C ATOM 1364 C VAL A 89 -4.814 7.921 9.146 1.00 0.00 C ATOM 1365 O VAL A 89 -4.318 8.976 8.755 1.00 0.00 O ATOM 1366 CB VAL A 89 -3.788 5.695 8.674 1.00 0.00 C ATOM 1367 CG1 VAL A 89 -3.307 6.268 7.350 1.00 0.00 C ATOM 1368 CG2 VAL A 89 -2.838 4.619 9.176 1.00 0.00 C ATOM 0 H VAL A 89 -4.752 5.312 10.942 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.955 7.215 9.959 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.764 5.238 8.511 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.205 5.464 6.621 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.029 6.999 6.986 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.341 6.753 7.493 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.742 3.838 8.422 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.860 5.059 9.369 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.230 4.188 10.097 1.00 0.00 H new ATOM 1378 N ASN A 90 -6.119 7.673 9.096 1.00 0.00 N ATOM 1379 CA ASN A 90 -7.063 8.650 8.568 1.00 0.00 C ATOM 1380 C ASN A 90 -7.013 9.946 9.371 1.00 0.00 C ATOM 1381 O ASN A 90 -7.673 10.076 10.402 1.00 0.00 O ATOM 1382 CB ASN A 90 -8.484 8.081 8.586 1.00 0.00 C ATOM 1383 CG ASN A 90 -9.508 9.064 8.056 1.00 0.00 C ATOM 1384 OD1 ASN A 90 -9.199 10.233 7.823 1.00 0.00 O ATOM 1385 ND2 ASN A 90 -10.735 8.595 7.865 1.00 0.00 N ATOM 0 H ASN A 90 -6.546 6.803 9.415 1.00 0.00 H new ATOM 0 HA ASN A 90 -6.780 8.870 7.539 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -8.515 7.170 7.988 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.747 7.801 9.606 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -11.467 9.211 7.511 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -10.946 7.619 8.072 1.00 0.00 H new ATOM 1392 N VAL A 91 -6.225 10.903 8.892 1.00 0.00 N ATOM 1393 CA VAL A 91 -6.089 12.189 9.564 1.00 0.00 C ATOM 1394 C VAL A 91 -5.550 13.252 8.613 1.00 0.00 C ATOM 1395 O VAL A 91 -4.957 12.934 7.582 1.00 0.00 O ATOM 1396 CB VAL A 91 -5.156 12.089 10.785 1.00 0.00 C ATOM 1397 CG1 VAL A 91 -3.738 11.752 10.349 1.00 0.00 C ATOM 1398 CG2 VAL A 91 -5.183 13.383 11.584 1.00 0.00 C ATOM 0 H VAL A 91 -5.671 10.812 8.041 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.085 12.477 9.900 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.514 11.284 11.427 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.094 11.686 11.226 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.736 10.797 9.824 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.367 12.532 9.684 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.518 13.294 12.443 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.852 14.207 10.953 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.199 13.576 11.930 1.00 0.00 H new ATOM 1408 N ASP A 92 -5.760 14.516 8.966 1.00 0.00 N ATOM 1409 CA ASP A 92 -5.293 15.627 8.145 1.00 0.00 C ATOM 1410 C ASP A 92 -3.823 15.452 7.777 1.00 0.00 C ATOM 1411 O ASP A 92 -3.459 15.491 6.602 1.00 0.00 O ATOM 1412 CB ASP A 92 -5.494 16.952 8.881 1.00 0.00 C ATOM 1413 CG ASP A 92 -6.940 17.409 8.869 1.00 0.00 C ATOM 1414 OD1 ASP A 92 -7.370 17.987 7.849 1.00 0.00 O ATOM 1415 OD2 ASP A 92 -7.640 17.189 9.878 1.00 0.00 O ATOM 0 H ASP A 92 -6.251 14.796 9.815 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.879 15.638 7.226 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.158 16.846 9.913 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.870 17.718 8.420 1.00 0.00 H new ATOM 1420 N GLN A 93 -2.984 15.260 8.789 1.00 0.00 N ATOM 1421 CA GLN A 93 -1.554 15.081 8.572 1.00 0.00 C ATOM 1422 C GLN A 93 -1.019 13.917 9.401 1.00 0.00 C ATOM 1423 O GLN A 93 -0.513 14.093 10.510 1.00 0.00 O ATOM 1424 CB GLN A 93 -0.799 16.363 8.926 1.00 0.00 C ATOM 1425 CG GLN A 93 -1.285 17.585 8.163 1.00 0.00 C ATOM 1426 CD GLN A 93 -0.999 17.497 6.676 1.00 0.00 C ATOM 1427 OE1 GLN A 93 -0.127 16.744 6.244 1.00 0.00 O ATOM 1428 NE2 GLN A 93 -1.736 18.269 5.885 1.00 0.00 N ATOM 0 H GLN A 93 -3.270 15.224 9.767 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.398 14.855 7.517 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.898 16.550 9.995 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.262 16.217 8.724 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.358 17.701 8.316 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -0.806 18.476 8.569 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.448 18.878 6.287 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.590 18.252 4.876 1.00 0.00 H new ATOM 1437 N PRO A 94 -1.132 12.699 8.852 1.00 0.00 N ATOM 1438 CA PRO A 94 -0.665 11.482 9.524 1.00 0.00 C ATOM 1439 C PRO A 94 0.857 11.412 9.604 1.00 0.00 C ATOM 1440 O PRO A 94 1.557 12.265 9.059 1.00 0.00 O ATOM 1441 CB PRO A 94 -1.205 10.357 8.637 1.00 0.00 C ATOM 1442 CG PRO A 94 -1.356 10.976 7.289 1.00 0.00 C ATOM 1443 CD PRO A 94 -1.723 12.415 7.534 1.00 0.00 C ATOM 0 HA PRO A 94 -1.007 11.430 10.558 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.519 9.511 8.609 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -2.158 9.982 9.010 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.430 10.901 6.719 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.128 10.469 6.711 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.318 13.070 6.763 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.803 12.559 7.539 1.00 0.00 H new ATOM 1451 N ASP A 95 1.362 10.392 10.289 1.00 0.00 N ATOM 1452 CA ASP A 95 2.800 10.210 10.440 1.00 0.00 C ATOM 1453 C ASP A 95 3.381 9.454 9.249 1.00 0.00 C ATOM 1454 O ASP A 95 3.399 8.223 9.231 1.00 0.00 O ATOM 1455 CB ASP A 95 3.108 9.458 11.735 1.00 0.00 C ATOM 1456 CG ASP A 95 3.076 10.362 12.952 1.00 0.00 C ATOM 1457 OD1 ASP A 95 1.983 10.546 13.526 1.00 0.00 O ATOM 1458 OD2 ASP A 95 4.145 10.888 13.329 1.00 0.00 O ATOM 0 H ASP A 95 0.796 9.679 10.749 1.00 0.00 H new ATOM 0 HA ASP A 95 3.262 11.196 10.483 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.385 8.653 11.865 1.00 0.00 H new ATOM 0 HB3 ASP A 95 4.091 8.994 11.657 1.00 0.00 H new ATOM 1463 N GLU A 96 3.853 10.199 8.254 1.00 0.00 N ATOM 1464 CA GLU A 96 4.431 9.598 7.058 1.00 0.00 C ATOM 1465 C GLU A 96 5.414 8.490 7.427 1.00 0.00 C ATOM 1466 O GLU A 96 5.460 7.445 6.780 1.00 0.00 O ATOM 1467 CB GLU A 96 5.138 10.663 6.216 1.00 0.00 C ATOM 1468 CG GLU A 96 6.423 11.180 6.842 1.00 0.00 C ATOM 1469 CD GLU A 96 6.756 12.594 6.408 1.00 0.00 C ATOM 1470 OE1 GLU A 96 5.933 13.499 6.658 1.00 0.00 O ATOM 1471 OE2 GLU A 96 7.839 12.795 5.820 1.00 0.00 O ATOM 0 H GLU A 96 3.846 11.219 8.253 1.00 0.00 H new ATOM 0 HA GLU A 96 3.621 9.162 6.473 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.364 10.247 5.234 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.458 11.500 6.059 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.332 11.149 7.928 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.246 10.518 6.572 1.00 0.00 H new ATOM 1478 N LYS A 97 6.200 8.729 8.471 1.00 0.00 N ATOM 1479 CA LYS A 97 7.182 7.753 8.929 1.00 0.00 C ATOM 1480 C LYS A 97 6.497 6.483 9.423 1.00 0.00 C ATOM 1481 O LYS A 97 7.057 5.390 9.333 1.00 0.00 O ATOM 1482 CB LYS A 97 8.042 8.349 10.045 1.00 0.00 C ATOM 1483 CG LYS A 97 8.850 9.560 9.611 1.00 0.00 C ATOM 1484 CD LYS A 97 10.131 9.151 8.905 1.00 0.00 C ATOM 1485 CE LYS A 97 9.919 9.001 7.406 1.00 0.00 C ATOM 1486 NZ LYS A 97 11.183 9.195 6.644 1.00 0.00 N ATOM 0 H LYS A 97 6.176 9.591 9.016 1.00 0.00 H new ATOM 0 HA LYS A 97 7.822 7.495 8.085 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.397 8.632 10.877 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.723 7.583 10.416 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.249 10.180 8.946 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.092 10.168 10.482 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.904 9.897 9.091 1.00 0.00 H new ATOM 0 HD3 LYS A 97 10.491 8.209 9.319 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.516 8.011 7.194 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.178 9.726 7.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.996 9.085 5.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 11.555 10.149 6.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.883 8.487 6.946 1.00 0.00 H new ATOM 1500 N SER A 98 5.283 6.634 9.944 1.00 0.00 N ATOM 1501 CA SER A 98 4.525 5.499 10.454 1.00 0.00 C ATOM 1502 C SER A 98 3.857 4.735 9.314 1.00 0.00 C ATOM 1503 O SER A 98 3.391 3.610 9.496 1.00 0.00 O ATOM 1504 CB SER A 98 3.467 5.973 11.453 1.00 0.00 C ATOM 1505 OG SER A 98 3.124 4.942 12.361 1.00 0.00 O ATOM 0 H SER A 98 4.804 7.531 10.024 1.00 0.00 H new ATOM 0 HA SER A 98 5.219 4.828 10.960 1.00 0.00 H new ATOM 0 HB2 SER A 98 3.843 6.836 12.003 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.576 6.300 10.916 1.00 0.00 H new ATOM 0 HG SER A 98 2.448 5.271 12.989 1.00 0.00 H new ATOM 1511 N ILE A 99 3.814 5.356 8.140 1.00 0.00 N ATOM 1512 CA ILE A 99 3.204 4.735 6.970 1.00 0.00 C ATOM 1513 C ILE A 99 4.262 4.122 6.059 1.00 0.00 C ATOM 1514 O ILE A 99 4.206 2.935 5.739 1.00 0.00 O ATOM 1515 CB ILE A 99 2.373 5.751 6.164 1.00 0.00 C ATOM 1516 CG1 ILE A 99 1.241 6.316 7.024 1.00 0.00 C ATOM 1517 CG2 ILE A 99 1.815 5.098 4.907 1.00 0.00 C ATOM 1518 CD1 ILE A 99 0.567 7.526 6.417 1.00 0.00 C ATOM 0 H ILE A 99 4.194 6.288 7.974 1.00 0.00 H new ATOM 0 HA ILE A 99 2.545 3.948 7.337 1.00 0.00 H new ATOM 0 HB ILE A 99 3.022 6.575 5.867 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.495 5.538 7.185 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.639 6.585 8.003 1.00 0.00 H new ATOM 0 HG21 ILE A 99 1.230 5.828 4.347 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.637 4.740 4.287 1.00 0.00 H new ATOM 0 HG23 ILE A 99 1.178 4.258 5.185 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.225 7.873 7.081 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.300 8.321 6.281 1.00 0.00 H new ATOM 0 HD13 ILE A 99 0.139 7.258 5.451 1.00 0.00 H new ATOM 1530 N ILE A 100 5.225 4.939 5.647 1.00 0.00 N ATOM 1531 CA ILE A 100 6.298 4.476 4.776 1.00 0.00 C ATOM 1532 C ILE A 100 6.821 3.117 5.224 1.00 0.00 C ATOM 1533 O ILE A 100 7.185 2.277 4.400 1.00 0.00 O ATOM 1534 CB ILE A 100 7.468 5.478 4.742 1.00 0.00 C ATOM 1535 CG1 ILE A 100 6.994 6.829 4.200 1.00 0.00 C ATOM 1536 CG2 ILE A 100 8.608 4.933 3.896 1.00 0.00 C ATOM 1537 CD1 ILE A 100 7.790 8.003 4.726 1.00 0.00 C ATOM 0 H ILE A 100 5.284 5.925 5.902 1.00 0.00 H new ATOM 0 HA ILE A 100 5.876 4.389 3.775 1.00 0.00 H new ATOM 0 HB ILE A 100 7.833 5.622 5.759 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.056 6.817 3.112 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.944 6.967 4.458 1.00 0.00 H new ATOM 0 HG21 ILE A 100 9.427 5.652 3.882 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.959 3.992 4.321 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.257 4.763 2.878 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.399 8.927 4.300 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.708 8.041 5.812 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.837 7.888 4.445 1.00 0.00 H new ATOM 1549 N THR A 101 6.856 2.903 6.536 1.00 0.00 N ATOM 1550 CA THR A 101 7.334 1.645 7.094 1.00 0.00 C ATOM 1551 C THR A 101 6.303 0.538 6.916 1.00 0.00 C ATOM 1552 O THR A 101 6.650 -0.606 6.619 1.00 0.00 O ATOM 1553 CB THR A 101 7.667 1.785 8.591 1.00 0.00 C ATOM 1554 OG1 THR A 101 8.472 2.950 8.807 1.00 0.00 O ATOM 1555 CG2 THR A 101 8.401 0.554 9.100 1.00 0.00 C ATOM 0 H THR A 101 6.558 3.586 7.232 1.00 0.00 H new ATOM 0 HA THR A 101 8.242 1.383 6.551 1.00 0.00 H new ATOM 0 HB THR A 101 6.731 1.883 9.141 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.892 3.722 8.975 1.00 0.00 H new ATOM 0 HG21 THR A 101 8.625 0.676 10.160 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.774 -0.327 8.961 1.00 0.00 H new ATOM 0 HG23 THR A 101 9.330 0.429 8.544 1.00 0.00 H new ATOM 1563 N TYR A 102 5.033 0.883 7.097 1.00 0.00 N ATOM 1564 CA TYR A 102 3.950 -0.084 6.957 1.00 0.00 C ATOM 1565 C TYR A 102 3.790 -0.516 5.503 1.00 0.00 C ATOM 1566 O TYR A 102 3.765 -1.708 5.196 1.00 0.00 O ATOM 1567 CB TYR A 102 2.639 0.511 7.473 1.00 0.00 C ATOM 1568 CG TYR A 102 1.417 -0.292 7.086 1.00 0.00 C ATOM 1569 CD1 TYR A 102 1.297 -1.628 7.446 1.00 0.00 C ATOM 1570 CD2 TYR A 102 0.384 0.285 6.358 1.00 0.00 C ATOM 1571 CE1 TYR A 102 0.184 -2.366 7.095 1.00 0.00 C ATOM 1572 CE2 TYR A 102 -0.734 -0.444 6.002 1.00 0.00 C ATOM 1573 CZ TYR A 102 -0.829 -1.770 6.373 1.00 0.00 C ATOM 1574 OH TYR A 102 -1.941 -2.499 6.021 1.00 0.00 O ATOM 0 H TYR A 102 4.728 1.825 7.341 1.00 0.00 H new ATOM 0 HA TYR A 102 4.201 -0.963 7.551 1.00 0.00 H new ATOM 0 HB2 TYR A 102 2.686 0.585 8.559 1.00 0.00 H new ATOM 0 HB3 TYR A 102 2.534 1.526 7.089 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.089 -2.098 8.011 1.00 0.00 H new ATOM 0 HD2 TYR A 102 0.456 1.322 6.065 1.00 0.00 H new ATOM 0 HE1 TYR A 102 0.107 -3.404 7.384 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.529 0.021 5.437 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.741 -2.080 6.402 1.00 0.00 H new ATOM 1584 N VAL A 103 3.681 0.464 4.611 1.00 0.00 N ATOM 1585 CA VAL A 103 3.524 0.186 3.188 1.00 0.00 C ATOM 1586 C VAL A 103 4.716 -0.596 2.645 1.00 0.00 C ATOM 1587 O VAL A 103 4.582 -1.374 1.702 1.00 0.00 O ATOM 1588 CB VAL A 103 3.368 1.487 2.377 1.00 0.00 C ATOM 1589 CG1 VAL A 103 4.569 2.395 2.586 1.00 0.00 C ATOM 1590 CG2 VAL A 103 3.177 1.174 0.901 1.00 0.00 C ATOM 0 H VAL A 103 3.699 1.456 4.848 1.00 0.00 H new ATOM 0 HA VAL A 103 2.620 -0.413 3.081 1.00 0.00 H new ATOM 0 HB VAL A 103 2.481 2.011 2.732 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.440 3.308 2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.655 2.646 3.643 1.00 0.00 H new ATOM 0 HG13 VAL A 103 5.474 1.882 2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.068 2.104 0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.044 0.627 0.530 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.282 0.566 0.771 1.00 0.00 H new ATOM 1600 N ALA A 104 5.880 -0.385 3.250 1.00 0.00 N ATOM 1601 CA ALA A 104 7.094 -1.073 2.830 1.00 0.00 C ATOM 1602 C ALA A 104 6.868 -2.579 2.736 1.00 0.00 C ATOM 1603 O ALA A 104 7.381 -3.239 1.832 1.00 0.00 O ATOM 1604 CB ALA A 104 8.233 -0.767 3.791 1.00 0.00 C ATOM 0 H ALA A 104 6.008 0.257 4.032 1.00 0.00 H new ATOM 0 HA ALA A 104 7.363 -0.710 1.838 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.134 -1.287 3.465 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.419 0.307 3.804 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.963 -1.101 4.793 1.00 0.00 H new ATOM 1610 N THR A 105 6.098 -3.116 3.677 1.00 0.00 N ATOM 1611 CA THR A 105 5.804 -4.544 3.700 1.00 0.00 C ATOM 1612 C THR A 105 5.197 -5.003 2.380 1.00 0.00 C ATOM 1613 O THR A 105 5.563 -6.051 1.849 1.00 0.00 O ATOM 1614 CB THR A 105 4.841 -4.900 4.848 1.00 0.00 C ATOM 1615 OG1 THR A 105 3.554 -4.320 4.606 1.00 0.00 O ATOM 1616 CG2 THR A 105 5.382 -4.408 6.182 1.00 0.00 C ATOM 0 H THR A 105 5.667 -2.584 4.433 1.00 0.00 H new ATOM 0 HA THR A 105 6.752 -5.059 3.858 1.00 0.00 H new ATOM 0 HB THR A 105 4.748 -5.985 4.890 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.638 -3.345 4.560 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.684 -4.671 6.977 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.348 -4.874 6.377 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.502 -3.325 6.149 1.00 0.00 H new ATOM 1624 N TYR A 106 4.268 -4.212 1.855 1.00 0.00 N ATOM 1625 CA TYR A 106 3.608 -4.538 0.597 1.00 0.00 C ATOM 1626 C TYR A 106 4.630 -4.762 -0.512 1.00 0.00 C ATOM 1627 O TYR A 106 4.452 -5.624 -1.373 1.00 0.00 O ATOM 1628 CB TYR A 106 2.642 -3.421 0.198 1.00 0.00 C ATOM 1629 CG TYR A 106 1.305 -3.497 0.901 1.00 0.00 C ATOM 1630 CD1 TYR A 106 1.230 -3.697 2.274 1.00 0.00 C ATOM 1631 CD2 TYR A 106 0.117 -3.370 0.192 1.00 0.00 C ATOM 1632 CE1 TYR A 106 0.011 -3.768 2.920 1.00 0.00 C ATOM 1633 CE2 TYR A 106 -1.106 -3.437 0.830 1.00 0.00 C ATOM 1634 CZ TYR A 106 -1.154 -3.636 2.194 1.00 0.00 C ATOM 1635 OH TYR A 106 -2.371 -3.706 2.833 1.00 0.00 O ATOM 0 H TYR A 106 3.955 -3.340 2.282 1.00 0.00 H new ATOM 0 HA TYR A 106 3.046 -5.461 0.740 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.103 -2.458 0.416 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.479 -3.460 -0.879 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.140 -3.799 2.846 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.150 -3.216 -0.876 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.029 -3.926 3.988 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -2.020 -3.334 0.264 1.00 0.00 H new ATOM 0 HH TYR A 106 -3.091 -3.593 2.178 1.00 0.00 H new ATOM 1645 N TYR A 107 5.703 -3.979 -0.486 1.00 0.00 N ATOM 1646 CA TYR A 107 6.755 -4.089 -1.490 1.00 0.00 C ATOM 1647 C TYR A 107 7.638 -5.304 -1.223 1.00 0.00 C ATOM 1648 O TYR A 107 7.855 -6.135 -2.106 1.00 0.00 O ATOM 1649 CB TYR A 107 7.607 -2.819 -1.507 1.00 0.00 C ATOM 1650 CG TYR A 107 8.975 -3.017 -2.119 1.00 0.00 C ATOM 1651 CD1 TYR A 107 9.115 -3.400 -3.447 1.00 0.00 C ATOM 1652 CD2 TYR A 107 10.129 -2.817 -1.371 1.00 0.00 C ATOM 1653 CE1 TYR A 107 10.363 -3.581 -4.011 1.00 0.00 C ATOM 1654 CE2 TYR A 107 11.381 -2.996 -1.927 1.00 0.00 C ATOM 1655 CZ TYR A 107 11.493 -3.379 -3.246 1.00 0.00 C ATOM 1656 OH TYR A 107 12.738 -3.557 -3.805 1.00 0.00 O ATOM 0 H TYR A 107 5.867 -3.261 0.220 1.00 0.00 H new ATOM 0 HA TYR A 107 6.281 -4.214 -2.464 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.078 -2.044 -2.062 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.724 -2.456 -0.486 1.00 0.00 H new ATOM 0 HD1 TYR A 107 8.233 -3.559 -4.049 1.00 0.00 H new ATOM 0 HD2 TYR A 107 10.046 -2.516 -0.337 1.00 0.00 H new ATOM 0 HE1 TYR A 107 10.453 -3.879 -5.045 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.267 -2.837 -1.331 1.00 0.00 H new ATOM 0 HH TYR A 107 13.427 -3.374 -3.133 1.00 0.00 H new ATOM 1666 N HIS A 108 8.144 -5.401 0.003 1.00 0.00 N ATOM 1667 CA HIS A 108 9.003 -6.515 0.387 1.00 0.00 C ATOM 1668 C HIS A 108 8.302 -7.850 0.150 1.00 0.00 C ATOM 1669 O HIS A 108 8.788 -8.692 -0.605 1.00 0.00 O ATOM 1670 CB HIS A 108 9.406 -6.392 1.858 1.00 0.00 C ATOM 1671 CG HIS A 108 10.351 -5.262 2.127 1.00 0.00 C ATOM 1672 ND1 HIS A 108 10.139 -4.039 2.669 1.00 0.00 N flip ATOM 1673 CD2 HIS A 108 11.696 -5.319 1.828 1.00 0.00 C flip ATOM 1674 CE1 HIS A 108 11.347 -3.388 2.689 1.00 0.00 C flip ATOM 1675 NE2 HIS A 108 12.271 -4.182 2.176 1.00 0.00 N flip ATOM 0 H HIS A 108 7.974 -4.723 0.746 1.00 0.00 H new ATOM 0 HA HIS A 108 9.899 -6.480 -0.233 1.00 0.00 H new ATOM 0 HB2 HIS A 108 8.509 -6.256 2.462 1.00 0.00 H new ATOM 0 HB3 HIS A 108 9.868 -7.326 2.179 1.00 0.00 H new ATOM 0 HD1 HIS A 108 9.248 -3.670 3.001 1.00 0.00 H new ATOM 0 HD2 HIS A 108 12.201 -6.162 1.379 1.00 0.00 H new ATOM 0 HE1 HIS A 108 11.515 -2.389 3.063 1.00 0.00 H new ATOM 1684 N TYR A 109 7.159 -8.035 0.800 1.00 0.00 N ATOM 1685 CA TYR A 109 6.392 -9.268 0.664 1.00 0.00 C ATOM 1686 C TYR A 109 6.356 -9.728 -0.791 1.00 0.00 C ATOM 1687 O TYR A 109 6.901 -10.776 -1.137 1.00 0.00 O ATOM 1688 CB TYR A 109 4.968 -9.069 1.183 1.00 0.00 C ATOM 1689 CG TYR A 109 4.031 -10.201 0.830 1.00 0.00 C ATOM 1690 CD1 TYR A 109 3.978 -11.353 1.606 1.00 0.00 C ATOM 1691 CD2 TYR A 109 3.196 -10.119 -0.277 1.00 0.00 C ATOM 1692 CE1 TYR A 109 3.124 -12.391 1.288 1.00 0.00 C ATOM 1693 CE2 TYR A 109 2.337 -11.152 -0.602 1.00 0.00 C ATOM 1694 CZ TYR A 109 2.306 -12.286 0.182 1.00 0.00 C ATOM 1695 OH TYR A 109 1.452 -13.317 -0.137 1.00 0.00 O ATOM 0 H TYR A 109 6.742 -7.347 1.427 1.00 0.00 H new ATOM 0 HA TYR A 109 6.883 -10.039 1.259 1.00 0.00 H new ATOM 0 HB2 TYR A 109 4.998 -8.958 2.267 1.00 0.00 H new ATOM 0 HB3 TYR A 109 4.569 -8.139 0.778 1.00 0.00 H new ATOM 0 HD1 TYR A 109 4.616 -11.438 2.473 1.00 0.00 H new ATOM 0 HD2 TYR A 109 3.218 -9.233 -0.894 1.00 0.00 H new ATOM 0 HE1 TYR A 109 3.097 -13.279 1.901 1.00 0.00 H new ATOM 0 HE2 TYR A 109 1.693 -11.071 -1.466 1.00 0.00 H new ATOM 0 HH TYR A 109 0.945 -13.084 -0.943 1.00 0.00 H new ATOM 1705 N PHE A 110 5.710 -8.934 -1.639 1.00 0.00 N ATOM 1706 CA PHE A 110 5.601 -9.258 -3.057 1.00 0.00 C ATOM 1707 C PHE A 110 6.981 -9.466 -3.675 1.00 0.00 C ATOM 1708 O PHE A 110 7.185 -10.383 -4.469 1.00 0.00 O ATOM 1709 CB PHE A 110 4.860 -8.145 -3.800 1.00 0.00 C ATOM 1710 CG PHE A 110 3.373 -8.350 -3.857 1.00 0.00 C ATOM 1711 CD1 PHE A 110 2.825 -9.332 -4.665 1.00 0.00 C ATOM 1712 CD2 PHE A 110 2.522 -7.558 -3.101 1.00 0.00 C ATOM 1713 CE1 PHE A 110 1.457 -9.522 -4.719 1.00 0.00 C ATOM 1714 CE2 PHE A 110 1.154 -7.744 -3.150 1.00 0.00 C ATOM 1715 CZ PHE A 110 0.620 -8.727 -3.961 1.00 0.00 C ATOM 0 H PHE A 110 5.254 -8.062 -1.369 1.00 0.00 H new ATOM 0 HA PHE A 110 5.037 -10.186 -3.150 1.00 0.00 H new ATOM 0 HB2 PHE A 110 5.069 -7.192 -3.313 1.00 0.00 H new ATOM 0 HB3 PHE A 110 5.249 -8.076 -4.816 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.474 -9.957 -5.260 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.933 -6.787 -2.467 1.00 0.00 H new ATOM 0 HE1 PHE A 110 1.043 -10.292 -5.354 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.502 -7.121 -2.555 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.449 -8.873 -4.002 1.00 0.00 H new ATOM 1725 N SER A 111 7.925 -8.607 -3.304 1.00 0.00 N ATOM 1726 CA SER A 111 9.284 -8.692 -3.823 1.00 0.00 C ATOM 1727 C SER A 111 9.814 -10.120 -3.727 1.00 0.00 C ATOM 1728 O SER A 111 10.362 -10.658 -4.689 1.00 0.00 O ATOM 1729 CB SER A 111 10.207 -7.742 -3.059 1.00 0.00 C ATOM 1730 OG SER A 111 11.473 -7.645 -3.688 1.00 0.00 O ATOM 0 H SER A 111 7.773 -7.843 -2.645 1.00 0.00 H new ATOM 0 HA SER A 111 9.263 -8.399 -4.873 1.00 0.00 H new ATOM 0 HB2 SER A 111 9.750 -6.754 -3.001 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.332 -8.096 -2.036 1.00 0.00 H new ATOM 0 HG SER A 111 12.044 -7.031 -3.181 1.00 0.00 H new ATOM 1736 N LYS A 112 9.646 -10.729 -2.558 1.00 0.00 N ATOM 1737 CA LYS A 112 10.104 -12.095 -2.333 1.00 0.00 C ATOM 1738 C LYS A 112 9.743 -12.992 -3.513 1.00 0.00 C ATOM 1739 O LYS A 112 10.560 -13.792 -3.968 1.00 0.00 O ATOM 1740 CB LYS A 112 9.492 -12.655 -1.047 1.00 0.00 C ATOM 1741 CG LYS A 112 10.027 -12.003 0.216 1.00 0.00 C ATOM 1742 CD LYS A 112 11.283 -12.697 0.713 1.00 0.00 C ATOM 1743 CE LYS A 112 11.676 -12.214 2.100 1.00 0.00 C ATOM 1744 NZ LYS A 112 10.631 -12.527 3.113 1.00 0.00 N ATOM 0 H LYS A 112 9.196 -10.298 -1.751 1.00 0.00 H new ATOM 0 HA LYS A 112 11.189 -12.075 -2.233 1.00 0.00 H new ATOM 0 HB2 LYS A 112 8.410 -12.525 -1.083 1.00 0.00 H new ATOM 0 HB3 LYS A 112 9.683 -13.727 -1.001 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.244 -10.953 0.020 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.263 -12.032 0.993 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.120 -13.775 0.735 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.101 -12.512 0.017 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.617 -12.679 2.393 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.847 -11.138 2.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.051 -12.502 4.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 9.867 -11.823 3.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.244 -13.475 2.931 1.00 0.00 H new