USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=27 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 -129:sc= 0.715 USER MOD Set 1.2: A 106 TYR OH : rot 180:sc= 0.455 USER MOD Set 2.1: A 68 GLN : amide:sc= -3.81! C(o=-6.7!,f=-13!) USER MOD Set 2.2: A 72 ASN : amide:sc= -3.12! C(o=-6.7!,f=-10!) USER MOD Set 2.3: A 82 LYS NZ :NH3+ 141:sc= 0.194 (180deg=-3.07!) USER MOD Set 3.1: A 29 HIS :FLIP no HD1:sc= -0.886 F(o=0.46,f=1.3) USER MOD Set 3.2: A 30 ASN :FLIP amide:sc= 0.846 F(o=-1.8,f=1.3) USER MOD Set 3.3: A 33 THR OG1 : rot -7:sc= 1.06 USER MOD Set 3.4: A 34 SER OG : rot 65:sc= 0.317 USER MOD Set 4.1: A 23 TYR OH : rot -174:sc= 0.438 USER MOD Set 4.2: A 46 HIS : no HD1:sc= -1.79 K(o=-1.4,f=-8.3!) USER MOD Single : A 16 CYS SG : rot 180:sc= -0.283 USER MOD Single : A 17 GLN : amide:sc=-3.87e-05 K(o=-3.9e-05,f=-2.8!) USER MOD Single : A 18 MET CE :methyl -170:sc= -0.0016 (180deg=-0.0107) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -63:sc= 1.12 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN :FLIP amide:sc= -1.19 F(o=-2!,f=-1.2) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.136 USER MOD Single : A 42 ASN : amide:sc= 0.0801 K(o=0.08,f=-2.2!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS :FLIP no HE2:sc= -6.68! C(o=-10!,f=-6.7!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0884) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.0703 X(o=-0.07,f=0) USER MOD Single : A 64 HIS : no HE2:sc= -0.236 X(o=-0.24,f=-0.1) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -2.19! C(o=-2.2!,f=-4.7!) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 76 LYS NZ :NH3+ 157:sc= -0.0914 (180deg=-0.432) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.935 X(o=-0.93,f=-1.1!) USER MOD Single : A 93 GLN : amide:sc= -3.2! C(o=-3.2!,f=-3.4!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 86:sc= 0.602 USER MOD Single : A 105 THR OG1 : rot -60:sc= 1.18 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc=-0.00855 X(o=-0.0086,f=-0.091) 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 98 N ASP A 10 12.665 7.076 -0.880 1.00 0.00 N ATOM 99 CA ASP A 10 12.425 7.406 -2.280 1.00 0.00 C ATOM 100 C ASP A 10 12.166 6.145 -3.099 1.00 0.00 C ATOM 101 O ASP A 10 11.182 6.061 -3.833 1.00 0.00 O ATOM 102 CB ASP A 10 13.617 8.169 -2.859 1.00 0.00 C ATOM 103 CG ASP A 10 13.881 9.471 -2.129 1.00 0.00 C ATOM 104 OD1 ASP A 10 13.029 10.380 -2.211 1.00 0.00 O ATOM 105 OD2 ASP A 10 14.941 9.582 -1.477 1.00 0.00 O ATOM 0 HA ASP A 10 11.539 8.039 -2.331 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.506 7.541 -2.808 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.434 8.378 -3.913 1.00 0.00 H new ATOM 110 N ALA A 11 13.057 5.168 -2.968 1.00 0.00 N ATOM 111 CA ALA A 11 12.924 3.911 -3.695 1.00 0.00 C ATOM 112 C ALA A 11 11.514 3.345 -3.560 1.00 0.00 C ATOM 113 O ALA A 11 10.926 2.876 -4.535 1.00 0.00 O ATOM 114 CB ALA A 11 13.950 2.903 -3.198 1.00 0.00 C ATOM 0 H ALA A 11 13.878 5.222 -2.366 1.00 0.00 H new ATOM 0 HA ALA A 11 13.108 4.109 -4.751 1.00 0.00 H new ATOM 0 HB1 ALA A 11 13.839 1.969 -3.749 1.00 0.00 H new ATOM 0 HB2 ALA A 11 14.954 3.299 -3.353 1.00 0.00 H new ATOM 0 HB3 ALA A 11 13.793 2.718 -2.135 1.00 0.00 H new ATOM 120 N LEU A 12 10.977 3.391 -2.346 1.00 0.00 N ATOM 121 CA LEU A 12 9.637 2.882 -2.082 1.00 0.00 C ATOM 122 C LEU A 12 8.585 3.715 -2.809 1.00 0.00 C ATOM 123 O LEU A 12 7.846 3.204 -3.651 1.00 0.00 O ATOM 124 CB LEU A 12 9.355 2.883 -0.579 1.00 0.00 C ATOM 125 CG LEU A 12 8.006 2.307 -0.148 1.00 0.00 C ATOM 126 CD1 LEU A 12 7.912 0.834 -0.515 1.00 0.00 C ATOM 127 CD2 LEU A 12 7.796 2.499 1.347 1.00 0.00 C ATOM 0 H LEU A 12 11.450 3.776 -1.528 1.00 0.00 H new ATOM 0 HA LEU A 12 9.585 1.859 -2.454 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.144 2.319 -0.081 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.421 3.909 -0.218 1.00 0.00 H new ATOM 0 HG LEU A 12 7.219 2.844 -0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.945 0.442 -0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.016 0.721 -1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.708 0.283 -0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.831 2.083 1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.589 1.989 1.894 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.818 3.563 1.584 1.00 0.00 H new ATOM 139 N LEU A 13 8.526 5.000 -2.479 1.00 0.00 N ATOM 140 CA LEU A 13 7.567 5.906 -3.102 1.00 0.00 C ATOM 141 C LEU A 13 7.423 5.607 -4.591 1.00 0.00 C ATOM 142 O LEU A 13 6.312 5.463 -5.102 1.00 0.00 O ATOM 143 CB LEU A 13 8.002 7.359 -2.901 1.00 0.00 C ATOM 144 CG LEU A 13 7.082 8.424 -3.499 1.00 0.00 C ATOM 145 CD1 LEU A 13 5.931 8.726 -2.552 1.00 0.00 C ATOM 146 CD2 LEU A 13 7.866 9.690 -3.811 1.00 0.00 C ATOM 0 H LEU A 13 9.130 5.438 -1.784 1.00 0.00 H new ATOM 0 HA LEU A 13 6.599 5.754 -2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.093 7.545 -1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.996 7.483 -3.332 1.00 0.00 H new ATOM 0 HG LEU A 13 6.667 8.039 -4.431 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.286 9.486 -2.994 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.355 7.817 -2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.326 9.091 -1.604 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.196 10.437 -4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.309 10.079 -2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.656 9.462 -4.527 1.00 0.00 H new ATOM 158 N LEU A 14 8.553 5.514 -5.281 1.00 0.00 N ATOM 159 CA LEU A 14 8.554 5.229 -6.713 1.00 0.00 C ATOM 160 C LEU A 14 7.749 3.971 -7.018 1.00 0.00 C ATOM 161 O LEU A 14 6.874 3.977 -7.885 1.00 0.00 O ATOM 162 CB LEU A 14 9.989 5.066 -7.219 1.00 0.00 C ATOM 163 CG LEU A 14 10.140 4.521 -8.639 1.00 0.00 C ATOM 164 CD1 LEU A 14 9.532 5.483 -9.649 1.00 0.00 C ATOM 165 CD2 LEU A 14 11.606 4.267 -8.960 1.00 0.00 C ATOM 0 H LEU A 14 9.481 5.631 -4.874 1.00 0.00 H new ATOM 0 HA LEU A 14 8.087 6.070 -7.227 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.483 6.036 -7.169 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.520 4.402 -6.538 1.00 0.00 H new ATOM 0 HG LEU A 14 9.604 3.574 -8.702 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.649 5.078 -10.654 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.472 5.616 -9.433 1.00 0.00 H new ATOM 0 HD13 LEU A 14 10.039 6.446 -9.585 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.694 3.879 -9.975 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.163 5.200 -8.878 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.012 3.539 -8.257 1.00 0.00 H new ATOM 177 N TRP A 15 8.048 2.894 -6.300 1.00 0.00 N ATOM 178 CA TRP A 15 7.350 1.628 -6.493 1.00 0.00 C ATOM 179 C TRP A 15 5.840 1.834 -6.494 1.00 0.00 C ATOM 180 O TRP A 15 5.161 1.517 -7.471 1.00 0.00 O ATOM 181 CB TRP A 15 7.742 0.634 -5.399 1.00 0.00 C ATOM 182 CG TRP A 15 7.225 -0.751 -5.642 1.00 0.00 C ATOM 183 CD1 TRP A 15 7.678 -1.642 -6.574 1.00 0.00 C ATOM 184 CD2 TRP A 15 6.159 -1.404 -4.945 1.00 0.00 C ATOM 185 NE1 TRP A 15 6.957 -2.809 -6.497 1.00 0.00 N ATOM 186 CE2 TRP A 15 6.020 -2.689 -5.506 1.00 0.00 C ATOM 187 CE3 TRP A 15 5.309 -1.030 -3.901 1.00 0.00 C ATOM 188 CZ2 TRP A 15 5.064 -3.598 -5.057 1.00 0.00 C ATOM 189 CZ3 TRP A 15 4.361 -1.932 -3.457 1.00 0.00 C ATOM 190 CH2 TRP A 15 4.246 -3.203 -4.034 1.00 0.00 C ATOM 0 H TRP A 15 8.769 2.872 -5.579 1.00 0.00 H new ATOM 0 HA TRP A 15 7.643 1.224 -7.462 1.00 0.00 H new ATOM 0 HB2 TRP A 15 8.829 0.600 -5.321 1.00 0.00 H new ATOM 0 HB3 TRP A 15 7.365 0.992 -4.441 1.00 0.00 H new ATOM 0 HD1 TRP A 15 8.484 -1.456 -7.269 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.097 -3.632 -7.083 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.392 -0.053 -3.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 4.972 -4.578 -5.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 3.698 -1.652 -2.652 1.00 0.00 H new ATOM 0 HH2 TRP A 15 3.496 -3.886 -3.664 1.00 0.00 H new ATOM 201 N CYS A 16 5.319 2.367 -5.394 1.00 0.00 N ATOM 202 CA CYS A 16 3.887 2.615 -5.269 1.00 0.00 C ATOM 203 C CYS A 16 3.381 3.475 -6.423 1.00 0.00 C ATOM 204 O CYS A 16 2.297 3.240 -6.954 1.00 0.00 O ATOM 205 CB CYS A 16 3.581 3.299 -3.935 1.00 0.00 C ATOM 206 SG CYS A 16 4.250 2.436 -2.494 1.00 0.00 S ATOM 0 H CYS A 16 5.867 2.636 -4.576 1.00 0.00 H new ATOM 0 HA CYS A 16 3.373 1.654 -5.303 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.983 4.312 -3.958 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.500 3.387 -3.823 1.00 0.00 H new ATOM 0 HG CYS A 16 3.941 3.091 -1.414 1.00 0.00 H new ATOM 212 N GLN A 17 4.173 4.472 -6.802 1.00 0.00 N ATOM 213 CA GLN A 17 3.803 5.369 -7.891 1.00 0.00 C ATOM 214 C GLN A 17 3.607 4.595 -9.190 1.00 0.00 C ATOM 215 O GLN A 17 2.619 4.789 -9.897 1.00 0.00 O ATOM 216 CB GLN A 17 4.874 6.445 -8.080 1.00 0.00 C ATOM 217 CG GLN A 17 4.862 7.513 -6.998 1.00 0.00 C ATOM 218 CD GLN A 17 5.873 8.613 -7.253 1.00 0.00 C ATOM 219 OE1 GLN A 17 7.041 8.345 -7.539 1.00 0.00 O ATOM 220 NE2 GLN A 17 5.430 9.860 -7.151 1.00 0.00 N ATOM 0 H GLN A 17 5.074 4.679 -6.372 1.00 0.00 H new ATOM 0 HA GLN A 17 2.860 5.848 -7.629 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.855 5.970 -8.099 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.732 6.921 -9.050 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.865 7.949 -6.934 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.070 7.050 -6.033 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.454 10.037 -6.912 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.065 10.642 -7.312 1.00 0.00 H new ATOM 229 N MET A 18 4.556 3.717 -9.499 1.00 0.00 N ATOM 230 CA MET A 18 4.487 2.913 -10.713 1.00 0.00 C ATOM 231 C MET A 18 3.210 2.078 -10.741 1.00 0.00 C ATOM 232 O MET A 18 2.465 2.098 -11.721 1.00 0.00 O ATOM 233 CB MET A 18 5.710 1.999 -10.816 1.00 0.00 C ATOM 234 CG MET A 18 7.010 2.748 -11.061 1.00 0.00 C ATOM 235 SD MET A 18 8.318 1.681 -11.691 1.00 0.00 S ATOM 236 CE MET A 18 8.750 0.765 -10.213 1.00 0.00 C ATOM 0 H MET A 18 5.382 3.545 -8.925 1.00 0.00 H new ATOM 0 HA MET A 18 4.476 3.591 -11.567 1.00 0.00 H new ATOM 0 HB2 MET A 18 5.801 1.422 -9.896 1.00 0.00 H new ATOM 0 HB3 MET A 18 5.553 1.286 -11.625 1.00 0.00 H new ATOM 0 HG2 MET A 18 6.831 3.555 -11.771 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.340 3.210 -10.130 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.660 0.193 -10.393 1.00 0.00 H new ATOM 0 HE2 MET A 18 8.915 1.460 -9.390 1.00 0.00 H new ATOM 0 HE3 MET A 18 7.938 0.084 -9.956 1.00 0.00 H new ATOM 246 N LYS A 19 2.964 1.346 -9.660 1.00 0.00 N ATOM 247 CA LYS A 19 1.777 0.504 -9.560 1.00 0.00 C ATOM 248 C LYS A 19 0.507 1.346 -9.629 1.00 0.00 C ATOM 249 O LYS A 19 -0.353 1.121 -10.482 1.00 0.00 O ATOM 250 CB LYS A 19 1.802 -0.293 -8.253 1.00 0.00 C ATOM 251 CG LYS A 19 3.098 -1.052 -8.029 1.00 0.00 C ATOM 252 CD LYS A 19 3.370 -2.036 -9.153 1.00 0.00 C ATOM 253 CE LYS A 19 4.317 -3.141 -8.711 1.00 0.00 C ATOM 254 NZ LYS A 19 4.079 -4.408 -9.457 1.00 0.00 N ATOM 0 H LYS A 19 3.571 1.319 -8.840 1.00 0.00 H new ATOM 0 HA LYS A 19 1.780 -0.188 -10.402 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.641 0.389 -7.418 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.972 -1.000 -8.252 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.925 -0.346 -7.954 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.048 -1.587 -7.080 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.430 -2.474 -9.490 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.798 -1.508 -10.005 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.347 -2.818 -8.863 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.193 -3.320 -7.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.744 -5.136 -9.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.104 -4.730 -9.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.222 -4.244 -10.474 1.00 0.00 H new ATOM 268 N THR A 20 0.395 2.318 -8.729 1.00 0.00 N ATOM 269 CA THR A 20 -0.770 3.193 -8.689 1.00 0.00 C ATOM 270 C THR A 20 -0.974 3.897 -10.025 1.00 0.00 C ATOM 271 O THR A 20 -2.097 4.252 -10.384 1.00 0.00 O ATOM 272 CB THR A 20 -0.639 4.251 -7.578 1.00 0.00 C ATOM 273 OG1 THR A 20 0.542 5.035 -7.785 1.00 0.00 O ATOM 274 CG2 THR A 20 -0.584 3.595 -6.207 1.00 0.00 C ATOM 0 H THR A 20 1.098 2.519 -8.018 1.00 0.00 H new ATOM 0 HA THR A 20 -1.633 2.562 -8.479 1.00 0.00 H new ATOM 0 HB THR A 20 -1.516 4.897 -7.618 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.332 4.459 -7.722 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.491 4.363 -5.439 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.497 3.024 -6.040 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.276 2.927 -6.157 1.00 0.00 H new ATOM 282 N ALA A 21 0.116 4.095 -10.758 1.00 0.00 N ATOM 283 CA ALA A 21 0.055 4.754 -12.057 1.00 0.00 C ATOM 284 C ALA A 21 -1.234 4.402 -12.790 1.00 0.00 C ATOM 285 O ALA A 21 -2.026 5.281 -13.132 1.00 0.00 O ATOM 286 CB ALA A 21 1.264 4.375 -12.899 1.00 0.00 C ATOM 0 H ALA A 21 1.053 3.808 -10.474 1.00 0.00 H new ATOM 0 HA ALA A 21 0.066 5.831 -11.891 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.205 4.874 -13.866 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.175 4.683 -12.387 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.279 3.295 -13.049 1.00 0.00 H new ATOM 292 N GLY A 22 -1.440 3.112 -13.031 1.00 0.00 N ATOM 293 CA GLY A 22 -2.635 2.667 -13.724 1.00 0.00 C ATOM 294 C GLY A 22 -3.851 3.503 -13.378 1.00 0.00 C ATOM 295 O GLY A 22 -4.579 3.950 -14.265 1.00 0.00 O ATOM 0 H GLY A 22 -0.800 2.366 -12.759 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.464 2.708 -14.800 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.831 1.625 -13.472 1.00 0.00 H new ATOM 299 N TYR A 23 -4.073 3.713 -12.086 1.00 0.00 N ATOM 300 CA TYR A 23 -5.212 4.497 -11.624 1.00 0.00 C ATOM 301 C TYR A 23 -4.985 5.986 -11.870 1.00 0.00 C ATOM 302 O TYR A 23 -4.096 6.609 -11.289 1.00 0.00 O ATOM 303 CB TYR A 23 -5.460 4.248 -10.134 1.00 0.00 C ATOM 304 CG TYR A 23 -5.678 2.791 -9.793 1.00 0.00 C ATOM 305 CD1 TYR A 23 -4.609 1.961 -9.481 1.00 0.00 C ATOM 306 CD2 TYR A 23 -6.956 2.245 -9.782 1.00 0.00 C ATOM 307 CE1 TYR A 23 -4.804 0.631 -9.169 1.00 0.00 C ATOM 308 CE2 TYR A 23 -7.161 0.914 -9.470 1.00 0.00 C ATOM 309 CZ TYR A 23 -6.082 0.112 -9.165 1.00 0.00 C ATOM 310 OH TYR A 23 -6.281 -1.214 -8.853 1.00 0.00 O ATOM 0 H TYR A 23 -3.479 3.351 -11.340 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.089 4.183 -12.190 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.609 4.623 -9.565 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.332 4.821 -9.818 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -3.607 2.364 -9.483 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.803 2.871 -10.021 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.961 0.000 -8.929 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -8.160 0.505 -9.465 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.226 -1.442 -8.980 1.00 0.00 H new ATOM 320 N PRO A 24 -5.808 6.570 -12.753 1.00 0.00 N ATOM 321 CA PRO A 24 -5.718 7.992 -13.097 1.00 0.00 C ATOM 322 C PRO A 24 -6.151 8.896 -11.947 1.00 0.00 C ATOM 323 O PRO A 24 -5.740 10.052 -11.866 1.00 0.00 O ATOM 324 CB PRO A 24 -6.681 8.133 -14.279 1.00 0.00 C ATOM 325 CG PRO A 24 -7.658 7.021 -14.106 1.00 0.00 C ATOM 326 CD PRO A 24 -6.889 5.888 -13.483 1.00 0.00 C ATOM 0 HA PRO A 24 -4.695 8.292 -13.324 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.179 9.103 -14.270 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.155 8.053 -15.230 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.488 7.326 -13.469 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.084 6.723 -15.064 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.515 5.297 -12.814 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -6.496 5.206 -14.237 1.00 0.00 H new ATOM 334 N ASN A 25 -6.983 8.359 -11.061 1.00 0.00 N ATOM 335 CA ASN A 25 -7.473 9.118 -9.915 1.00 0.00 C ATOM 336 C ASN A 25 -6.589 8.887 -8.693 1.00 0.00 C ATOM 337 O ASN A 25 -7.001 9.134 -7.560 1.00 0.00 O ATOM 338 CB ASN A 25 -8.916 8.726 -9.596 1.00 0.00 C ATOM 339 CG ASN A 25 -9.925 9.560 -10.361 1.00 0.00 C ATOM 340 OD1 ASN A 25 -10.083 10.754 -10.104 1.00 0.00 O ATOM 341 ND2 ASN A 25 -10.613 8.934 -11.309 1.00 0.00 N ATOM 0 H ASN A 25 -7.332 7.402 -11.114 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.440 10.177 -10.171 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.064 7.673 -9.834 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.092 8.839 -8.526 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.305 9.444 -11.858 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.449 7.943 -11.488 1.00 0.00 H new ATOM 348 N VAL A 26 -5.371 8.411 -8.932 1.00 0.00 N ATOM 349 CA VAL A 26 -4.427 8.149 -7.852 1.00 0.00 C ATOM 350 C VAL A 26 -3.048 8.711 -8.176 1.00 0.00 C ATOM 351 O VAL A 26 -2.639 8.746 -9.337 1.00 0.00 O ATOM 352 CB VAL A 26 -4.301 6.639 -7.572 1.00 0.00 C ATOM 353 CG1 VAL A 26 -3.326 6.387 -6.431 1.00 0.00 C ATOM 354 CG2 VAL A 26 -5.664 6.039 -7.261 1.00 0.00 C ATOM 0 H VAL A 26 -5.015 8.199 -9.864 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.818 8.646 -6.964 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.911 6.153 -8.466 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.250 5.315 -6.247 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.345 6.780 -6.697 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.684 6.885 -5.530 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.556 4.972 -7.066 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.085 6.528 -6.382 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.329 6.187 -8.112 1.00 0.00 H new ATOM 364 N ASN A 27 -2.335 9.150 -7.144 1.00 0.00 N ATOM 365 CA ASN A 27 -1.000 9.711 -7.320 1.00 0.00 C ATOM 366 C ASN A 27 -0.242 9.736 -5.997 1.00 0.00 C ATOM 367 O ASN A 27 -0.538 10.541 -5.114 1.00 0.00 O ATOM 368 CB ASN A 27 -1.093 11.127 -7.895 1.00 0.00 C ATOM 369 CG ASN A 27 -1.863 12.070 -6.991 1.00 0.00 C ATOM 370 OD1 ASN A 27 -1.151 12.735 -6.088 1.00 0.00 O flip ATOM 371 ND2 ASN A 27 -3.082 12.197 -7.103 1.00 0.00 N flip ATOM 0 H ASN A 27 -2.659 9.128 -6.177 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.454 9.077 -8.018 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.088 11.519 -8.052 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.576 11.089 -8.871 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.587 11.665 -7.812 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.587 12.834 -6.487 1.00 0.00 H new ATOM 378 N VAL A 28 0.738 8.848 -5.866 1.00 0.00 N ATOM 379 CA VAL A 28 1.541 8.769 -4.652 1.00 0.00 C ATOM 380 C VAL A 28 2.609 9.857 -4.626 1.00 0.00 C ATOM 381 O VAL A 28 3.784 9.595 -4.881 1.00 0.00 O ATOM 382 CB VAL A 28 2.223 7.394 -4.519 1.00 0.00 C ATOM 383 CG1 VAL A 28 3.018 7.315 -3.225 1.00 0.00 C ATOM 384 CG2 VAL A 28 1.190 6.279 -4.589 1.00 0.00 C ATOM 0 H VAL A 28 0.995 8.173 -6.586 1.00 0.00 H new ATOM 0 HA VAL A 28 0.860 8.912 -3.813 1.00 0.00 H new ATOM 0 HB VAL A 28 2.916 7.269 -5.351 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.492 6.337 -3.149 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.784 8.091 -3.220 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.349 7.461 -2.377 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.689 5.314 -4.493 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.471 6.398 -3.778 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.669 6.325 -5.545 1.00 0.00 H new ATOM 394 N HIS A 29 2.190 11.080 -4.318 1.00 0.00 N ATOM 395 CA HIS A 29 3.112 12.210 -4.258 1.00 0.00 C ATOM 396 C HIS A 29 3.677 12.376 -2.851 1.00 0.00 C ATOM 397 O HIS A 29 4.802 12.843 -2.674 1.00 0.00 O ATOM 398 CB HIS A 29 2.405 13.495 -4.690 1.00 0.00 C ATOM 399 CG HIS A 29 3.127 14.743 -4.284 1.00 0.00 C ATOM 400 ND1 HIS A 29 4.451 15.025 -4.241 1.00 0.00 N flip ATOM 401 CD2 HIS A 29 2.479 15.882 -3.856 1.00 0.00 C flip ATOM 402 CE1 HIS A 29 4.577 16.316 -3.794 1.00 0.00 C flip ATOM 403 NE2 HIS A 29 3.373 16.812 -3.569 1.00 0.00 N flip ATOM 0 H HIS A 29 1.220 11.314 -4.106 1.00 0.00 H new ATOM 0 HA HIS A 29 3.938 12.010 -4.941 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.289 13.489 -5.774 1.00 0.00 H new ATOM 0 HB3 HIS A 29 1.403 13.510 -4.262 1.00 0.00 H new ATOM 0 HD2 HIS A 29 1.409 15.996 -3.769 1.00 0.00 H new ATOM 0 HE1 HIS A 29 5.509 16.842 -3.649 1.00 0.00 H new ATOM 0 HE2 HIS A 29 3.168 17.753 -3.231 1.00 0.00 H new ATOM 412 N ASN A 30 2.889 11.990 -1.852 1.00 0.00 N ATOM 413 CA ASN A 30 3.311 12.097 -0.460 1.00 0.00 C ATOM 414 C ASN A 30 3.039 10.799 0.292 1.00 0.00 C ATOM 415 O ASN A 30 2.524 9.836 -0.276 1.00 0.00 O ATOM 416 CB ASN A 30 2.588 13.258 0.226 1.00 0.00 C ATOM 417 CG ASN A 30 1.208 13.502 -0.353 1.00 0.00 C ATOM 418 OD1 ASN A 30 0.206 12.831 0.202 1.00 0.00 O flip ATOM 419 ND2 ASN A 30 1.045 14.286 -1.289 1.00 0.00 N flip ATOM 0 H ASN A 30 1.955 11.600 -1.981 1.00 0.00 H new ATOM 0 HA ASN A 30 4.384 12.286 -0.445 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.500 13.049 1.292 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.186 14.164 0.127 1.00 0.00 H new ATOM 0 HD21 ASN A 30 1.844 14.781 -1.685 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.111 14.441 -1.668 1.00 0.00 H new ATOM 426 N PHE A 31 3.390 10.779 1.574 1.00 0.00 N ATOM 427 CA PHE A 31 3.185 9.599 2.405 1.00 0.00 C ATOM 428 C PHE A 31 2.255 9.912 3.574 1.00 0.00 C ATOM 429 O PHE A 31 2.356 9.307 4.642 1.00 0.00 O ATOM 430 CB PHE A 31 4.525 9.079 2.929 1.00 0.00 C ATOM 431 CG PHE A 31 5.239 8.179 1.961 1.00 0.00 C ATOM 432 CD1 PHE A 31 4.671 6.982 1.560 1.00 0.00 C ATOM 433 CD2 PHE A 31 6.478 8.532 1.453 1.00 0.00 C ATOM 434 CE1 PHE A 31 5.326 6.152 0.670 1.00 0.00 C ATOM 435 CE2 PHE A 31 7.139 7.706 0.563 1.00 0.00 C ATOM 436 CZ PHE A 31 6.561 6.514 0.170 1.00 0.00 C ATOM 0 H PHE A 31 3.818 11.567 2.060 1.00 0.00 H new ATOM 0 HA PHE A 31 2.720 8.828 1.790 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.167 9.927 3.166 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.357 8.537 3.860 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.705 6.693 1.947 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.933 9.463 1.756 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.872 5.221 0.366 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.106 7.992 0.175 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.074 5.867 -0.526 1.00 0.00 H new ATOM 446 N THR A 32 1.349 10.861 3.364 1.00 0.00 N ATOM 447 CA THR A 32 0.402 11.256 4.399 1.00 0.00 C ATOM 448 C THR A 32 -1.012 11.364 3.839 1.00 0.00 C ATOM 449 O THR A 32 -1.871 10.531 4.128 1.00 0.00 O ATOM 450 CB THR A 32 0.794 12.604 5.034 1.00 0.00 C ATOM 451 OG1 THR A 32 0.863 13.619 4.027 1.00 0.00 O ATOM 452 CG2 THR A 32 2.135 12.497 5.746 1.00 0.00 C ATOM 0 H THR A 32 1.251 11.371 2.486 1.00 0.00 H new ATOM 0 HA THR A 32 0.429 10.480 5.164 1.00 0.00 H new ATOM 0 HB THR A 32 0.032 12.871 5.766 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.111 14.473 4.439 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.391 13.461 6.186 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.071 11.744 6.532 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.905 12.209 5.030 1.00 0.00 H new ATOM 460 N THR A 33 -1.248 12.396 3.035 1.00 0.00 N ATOM 461 CA THR A 33 -2.558 12.613 2.434 1.00 0.00 C ATOM 462 C THR A 33 -2.740 11.756 1.187 1.00 0.00 C ATOM 463 O THR A 33 -3.732 11.887 0.471 1.00 0.00 O ATOM 464 CB THR A 33 -2.767 14.093 2.062 1.00 0.00 C ATOM 465 OG1 THR A 33 -1.811 14.490 1.073 1.00 0.00 O ATOM 466 CG2 THR A 33 -2.635 14.983 3.288 1.00 0.00 C ATOM 0 H THR A 33 -0.548 13.095 2.785 1.00 0.00 H new ATOM 0 HA THR A 33 -3.299 12.325 3.180 1.00 0.00 H new ATOM 0 HB THR A 33 -3.773 14.204 1.659 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.165 13.767 0.934 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.787 16.023 3.000 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.384 14.698 4.027 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.640 14.866 3.717 1.00 0.00 H new ATOM 474 N SER A 34 -1.774 10.878 0.932 1.00 0.00 N ATOM 475 CA SER A 34 -1.827 10.001 -0.231 1.00 0.00 C ATOM 476 C SER A 34 -2.451 8.656 0.129 1.00 0.00 C ATOM 477 O SER A 34 -2.999 7.964 -0.729 1.00 0.00 O ATOM 478 CB SER A 34 -0.423 9.789 -0.800 1.00 0.00 C ATOM 479 OG SER A 34 -0.122 10.756 -1.792 1.00 0.00 O ATOM 0 H SER A 34 -0.946 10.756 1.515 1.00 0.00 H new ATOM 0 HA SER A 34 -2.450 10.479 -0.987 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.311 9.848 0.004 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.348 8.789 -1.228 1.00 0.00 H new ATOM 0 HG SER A 34 -0.097 11.647 -1.384 1.00 0.00 H new ATOM 485 N TRP A 35 -2.362 8.293 1.403 1.00 0.00 N ATOM 486 CA TRP A 35 -2.917 7.031 1.879 1.00 0.00 C ATOM 487 C TRP A 35 -4.092 7.273 2.821 1.00 0.00 C ATOM 488 O TRP A 35 -4.839 6.350 3.146 1.00 0.00 O ATOM 489 CB TRP A 35 -1.839 6.211 2.590 1.00 0.00 C ATOM 490 CG TRP A 35 -0.542 6.159 1.840 1.00 0.00 C ATOM 491 CD1 TRP A 35 0.388 7.154 1.739 1.00 0.00 C ATOM 492 CD2 TRP A 35 -0.033 5.055 1.084 1.00 0.00 C ATOM 493 NE1 TRP A 35 1.444 6.735 0.967 1.00 0.00 N ATOM 494 CE2 TRP A 35 1.210 5.450 0.553 1.00 0.00 C ATOM 495 CE3 TRP A 35 -0.506 3.769 0.805 1.00 0.00 C ATOM 496 CZ2 TRP A 35 1.983 4.606 -0.239 1.00 0.00 C ATOM 497 CZ3 TRP A 35 0.263 2.933 0.018 1.00 0.00 C ATOM 498 CH2 TRP A 35 1.496 3.354 -0.497 1.00 0.00 C ATOM 0 H TRP A 35 -1.911 8.854 2.125 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.277 6.473 1.015 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.662 6.635 3.578 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.205 5.195 2.740 1.00 0.00 H new ATOM 0 HD1 TRP A 35 0.305 8.128 2.199 1.00 0.00 H new ATOM 0 HE1 TRP A 35 2.269 7.290 0.739 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.455 3.435 1.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.934 4.928 -0.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.093 1.938 -0.204 1.00 0.00 H new ATOM 0 HH2 TRP A 35 2.073 2.677 -1.109 1.00 0.00 H new ATOM 509 N ARG A 36 -4.249 8.519 3.255 1.00 0.00 N ATOM 510 CA ARG A 36 -5.333 8.882 4.160 1.00 0.00 C ATOM 511 C ARG A 36 -6.672 8.370 3.637 1.00 0.00 C ATOM 512 O ARG A 36 -7.429 7.725 4.363 1.00 0.00 O ATOM 513 CB ARG A 36 -5.390 10.400 4.340 1.00 0.00 C ATOM 514 CG ARG A 36 -6.504 10.862 5.264 1.00 0.00 C ATOM 515 CD ARG A 36 -6.891 12.307 4.992 1.00 0.00 C ATOM 516 NE ARG A 36 -7.934 12.413 3.975 1.00 0.00 N ATOM 517 CZ ARG A 36 -9.219 12.178 4.213 1.00 0.00 C ATOM 518 NH1 ARG A 36 -9.618 11.826 5.427 1.00 0.00 N ATOM 519 NH2 ARG A 36 -10.108 12.295 3.235 1.00 0.00 N ATOM 0 H ARG A 36 -3.639 9.294 2.995 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.137 8.416 5.126 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.435 10.747 4.735 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.521 10.868 3.365 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.375 10.220 5.134 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.184 10.759 6.301 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.238 12.769 5.916 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.011 12.863 4.668 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.660 12.682 3.030 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.937 11.735 6.181 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.606 11.646 5.607 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.804 12.566 2.300 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.095 12.114 3.419 1.00 0.00 H new ATOM 533 N ASP A 37 -6.959 8.662 2.374 1.00 0.00 N ATOM 534 CA ASP A 37 -8.206 8.232 1.753 1.00 0.00 C ATOM 535 C ASP A 37 -8.332 6.712 1.783 1.00 0.00 C ATOM 536 O ASP A 37 -9.384 6.173 2.125 1.00 0.00 O ATOM 537 CB ASP A 37 -8.282 8.733 0.310 1.00 0.00 C ATOM 538 CG ASP A 37 -7.875 10.187 0.179 1.00 0.00 C ATOM 539 OD1 ASP A 37 -8.729 11.066 0.420 1.00 0.00 O ATOM 540 OD2 ASP A 37 -6.702 10.447 -0.163 1.00 0.00 O ATOM 0 H ASP A 37 -6.344 9.195 1.759 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.032 8.659 2.322 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.636 8.120 -0.319 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.299 8.609 -0.061 1.00 0.00 H new ATOM 545 N GLY A 38 -7.251 6.027 1.424 1.00 0.00 N ATOM 546 CA GLY A 38 -7.262 4.575 1.416 1.00 0.00 C ATOM 547 C GLY A 38 -7.035 4.001 0.032 1.00 0.00 C ATOM 548 O GLY A 38 -6.359 2.983 -0.123 1.00 0.00 O ATOM 0 H GLY A 38 -6.368 6.451 1.139 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.490 4.205 2.090 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.218 4.220 1.801 1.00 0.00 H new ATOM 552 N LEU A 39 -7.603 4.653 -0.977 1.00 0.00 N ATOM 553 CA LEU A 39 -7.461 4.199 -2.356 1.00 0.00 C ATOM 554 C LEU A 39 -6.082 3.590 -2.590 1.00 0.00 C ATOM 555 O LEU A 39 -5.963 2.417 -2.944 1.00 0.00 O ATOM 556 CB LEU A 39 -7.686 5.365 -3.322 1.00 0.00 C ATOM 557 CG LEU A 39 -9.110 5.919 -3.385 1.00 0.00 C ATOM 558 CD1 LEU A 39 -9.175 7.116 -4.319 1.00 0.00 C ATOM 559 CD2 LEU A 39 -10.084 4.838 -3.830 1.00 0.00 C ATOM 0 H LEU A 39 -8.165 5.497 -0.866 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.213 3.431 -2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.014 6.177 -3.043 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.398 5.042 -4.323 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.396 6.248 -2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.196 7.497 -4.352 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.507 7.897 -3.956 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.869 6.813 -5.320 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.092 5.250 -3.869 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.801 4.478 -4.819 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.058 4.010 -3.121 1.00 0.00 H new ATOM 571 N ALA A 40 -5.043 4.394 -2.387 1.00 0.00 N ATOM 572 CA ALA A 40 -3.673 3.932 -2.571 1.00 0.00 C ATOM 573 C ALA A 40 -3.523 2.475 -2.147 1.00 0.00 C ATOM 574 O ALA A 40 -3.087 1.631 -2.931 1.00 0.00 O ATOM 575 CB ALA A 40 -2.709 4.813 -1.789 1.00 0.00 C ATOM 0 H ALA A 40 -5.124 5.368 -2.095 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.432 4.001 -3.632 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.690 4.456 -1.936 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.788 5.841 -2.142 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.958 4.773 -0.729 1.00 0.00 H new ATOM 581 N PHE A 41 -3.885 2.186 -0.901 1.00 0.00 N ATOM 582 CA PHE A 41 -3.789 0.830 -0.373 1.00 0.00 C ATOM 583 C PHE A 41 -4.610 -0.142 -1.214 1.00 0.00 C ATOM 584 O PHE A 41 -4.193 -1.273 -1.460 1.00 0.00 O ATOM 585 CB PHE A 41 -4.265 0.792 1.081 1.00 0.00 C ATOM 586 CG PHE A 41 -3.302 1.425 2.044 1.00 0.00 C ATOM 587 CD1 PHE A 41 -2.023 0.916 2.202 1.00 0.00 C ATOM 588 CD2 PHE A 41 -3.676 2.530 2.792 1.00 0.00 C ATOM 589 CE1 PHE A 41 -1.135 1.497 3.087 1.00 0.00 C ATOM 590 CE2 PHE A 41 -2.791 3.115 3.678 1.00 0.00 C ATOM 591 CZ PHE A 41 -1.520 2.598 3.827 1.00 0.00 C ATOM 0 H PHE A 41 -4.247 2.872 -0.239 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.744 0.524 -0.415 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -5.226 1.301 1.154 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.430 -0.245 1.374 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.717 0.055 1.627 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.670 2.938 2.681 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.141 1.091 3.200 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.094 3.977 4.254 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.828 3.053 4.520 1.00 0.00 H new ATOM 601 N ASN A 42 -5.781 0.309 -1.654 1.00 0.00 N ATOM 602 CA ASN A 42 -6.662 -0.521 -2.467 1.00 0.00 C ATOM 603 C ASN A 42 -6.172 -0.583 -3.910 1.00 0.00 C ATOM 604 O ASN A 42 -6.739 -1.295 -4.739 1.00 0.00 O ATOM 605 CB ASN A 42 -8.091 0.024 -2.425 1.00 0.00 C ATOM 606 CG ASN A 42 -8.656 0.060 -1.019 1.00 0.00 C ATOM 607 OD1 ASN A 42 -9.167 -0.941 -0.515 1.00 0.00 O ATOM 608 ND2 ASN A 42 -8.566 1.220 -0.375 1.00 0.00 N ATOM 0 H ASN A 42 -6.141 1.244 -1.461 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.652 -1.530 -2.055 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.106 1.030 -2.845 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.731 -0.594 -3.055 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.928 1.306 0.575 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.135 2.024 -0.831 1.00 0.00 H new ATOM 615 N ALA A 43 -5.113 0.166 -4.202 1.00 0.00 N ATOM 616 CA ALA A 43 -4.545 0.193 -5.544 1.00 0.00 C ATOM 617 C ALA A 43 -3.373 -0.775 -5.664 1.00 0.00 C ATOM 618 O ALA A 43 -3.110 -1.317 -6.739 1.00 0.00 O ATOM 619 CB ALA A 43 -4.104 1.605 -5.902 1.00 0.00 C ATOM 0 H ALA A 43 -4.632 0.761 -3.528 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.317 -0.124 -6.245 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.682 1.611 -6.907 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.963 2.275 -5.866 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.351 1.942 -5.190 1.00 0.00 H new ATOM 625 N ILE A 44 -2.672 -0.987 -4.556 1.00 0.00 N ATOM 626 CA ILE A 44 -1.528 -1.890 -4.537 1.00 0.00 C ATOM 627 C ILE A 44 -1.972 -3.342 -4.683 1.00 0.00 C ATOM 628 O ILE A 44 -1.450 -4.082 -5.517 1.00 0.00 O ATOM 629 CB ILE A 44 -0.714 -1.742 -3.238 1.00 0.00 C ATOM 630 CG1 ILE A 44 -0.159 -0.321 -3.118 1.00 0.00 C ATOM 631 CG2 ILE A 44 0.413 -2.763 -3.200 1.00 0.00 C ATOM 632 CD1 ILE A 44 0.439 -0.019 -1.762 1.00 0.00 C ATOM 0 H ILE A 44 -2.876 -0.546 -3.659 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.897 -1.618 -5.383 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.373 -1.927 -2.390 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.602 -0.171 -3.883 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.959 0.391 -3.320 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.979 -2.646 -2.276 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.005 -3.769 -3.244 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.074 -2.607 -4.053 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.812 1.005 -1.749 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.325 -0.137 -0.993 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.261 -0.707 -1.565 1.00 0.00 H new ATOM 644 N VAL A 45 -2.941 -3.744 -3.866 1.00 0.00 N ATOM 645 CA VAL A 45 -3.458 -5.107 -3.905 1.00 0.00 C ATOM 646 C VAL A 45 -4.256 -5.355 -5.181 1.00 0.00 C ATOM 647 O VAL A 45 -3.881 -6.187 -6.008 1.00 0.00 O ATOM 648 CB VAL A 45 -4.353 -5.403 -2.687 1.00 0.00 C ATOM 649 CG1 VAL A 45 -4.852 -6.839 -2.728 1.00 0.00 C ATOM 650 CG2 VAL A 45 -3.601 -5.127 -1.395 1.00 0.00 C ATOM 0 H VAL A 45 -3.384 -3.145 -3.169 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.596 -5.774 -3.883 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.219 -4.742 -2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.483 -7.030 -1.860 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.430 -6.997 -3.638 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.001 -7.520 -2.715 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.248 -5.341 -0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.716 -5.761 -1.347 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.299 -4.080 -1.366 1.00 0.00 H new ATOM 660 N HIS A 46 -5.358 -4.628 -5.334 1.00 0.00 N ATOM 661 CA HIS A 46 -6.209 -4.768 -6.511 1.00 0.00 C ATOM 662 C HIS A 46 -5.371 -5.022 -7.760 1.00 0.00 C ATOM 663 O HIS A 46 -5.764 -5.789 -8.639 1.00 0.00 O ATOM 664 CB HIS A 46 -7.063 -3.514 -6.701 1.00 0.00 C ATOM 665 CG HIS A 46 -8.242 -3.724 -7.601 1.00 0.00 C ATOM 666 ND1 HIS A 46 -8.408 -3.048 -8.792 1.00 0.00 N ATOM 667 CD2 HIS A 46 -9.315 -4.540 -7.480 1.00 0.00 C ATOM 668 CE1 HIS A 46 -9.534 -3.439 -9.363 1.00 0.00 C ATOM 669 NE2 HIS A 46 -10.102 -4.344 -8.587 1.00 0.00 N ATOM 0 H HIS A 46 -5.683 -3.936 -4.658 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.865 -5.624 -6.355 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.415 -3.173 -5.727 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -6.440 -2.719 -7.111 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.515 -5.219 -6.664 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -9.923 -3.080 -10.304 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -10.983 -4.820 -8.779 1.00 0.00 H new ATOM 678 N LYS A 47 -4.215 -4.372 -7.833 1.00 0.00 N ATOM 679 CA LYS A 47 -3.321 -4.527 -8.974 1.00 0.00 C ATOM 680 C LYS A 47 -2.839 -5.969 -9.097 1.00 0.00 C ATOM 681 O LYS A 47 -2.872 -6.555 -10.180 1.00 0.00 O ATOM 682 CB LYS A 47 -2.119 -3.588 -8.838 1.00 0.00 C ATOM 683 CG LYS A 47 -1.397 -3.332 -10.149 1.00 0.00 C ATOM 684 CD LYS A 47 -2.069 -2.229 -10.951 1.00 0.00 C ATOM 685 CE LYS A 47 -1.092 -1.559 -11.906 1.00 0.00 C ATOM 686 NZ LYS A 47 -0.718 -2.457 -13.034 1.00 0.00 N ATOM 0 H LYS A 47 -3.875 -3.732 -7.115 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.877 -4.270 -9.876 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.456 -2.637 -8.427 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.415 -4.013 -8.122 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.362 -3.057 -9.947 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.374 -4.249 -10.738 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.904 -2.645 -11.515 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.483 -1.484 -10.271 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.538 -0.646 -12.301 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.194 -1.266 -11.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.051 -1.965 -13.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.270 -3.317 -12.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.571 -2.716 -13.569 1.00 0.00 H new ATOM 700 N HIS A 48 -2.395 -6.537 -7.981 1.00 0.00 N ATOM 701 CA HIS A 48 -1.909 -7.913 -7.964 1.00 0.00 C ATOM 702 C HIS A 48 -3.071 -8.899 -8.027 1.00 0.00 C ATOM 703 O HIS A 48 -3.032 -9.870 -8.785 1.00 0.00 O ATOM 704 CB HIS A 48 -1.078 -8.167 -6.706 1.00 0.00 C ATOM 705 CG HIS A 48 -0.128 -7.054 -6.381 1.00 0.00 C ATOM 706 ND1 HIS A 48 0.012 -6.308 -5.260 1.00 0.00 N flip ATOM 707 CD2 HIS A 48 0.824 -6.595 -7.266 1.00 0.00 C flip ATOM 708 CE1 HIS A 48 1.035 -5.421 -5.486 1.00 0.00 C flip ATOM 709 NE2 HIS A 48 1.509 -5.616 -6.704 1.00 0.00 N flip ATOM 0 H HIS A 48 -2.361 -6.067 -7.077 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.280 -8.062 -8.842 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.750 -8.319 -5.861 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.513 -9.090 -6.834 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -0.540 -6.390 -4.406 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.985 -6.977 -8.263 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.394 -4.684 -4.783 1.00 0.00 H new ATOM 718 N ARG A 49 -4.101 -8.646 -7.228 1.00 0.00 N ATOM 719 CA ARG A 49 -5.272 -9.513 -7.192 1.00 0.00 C ATOM 720 C ARG A 49 -6.558 -8.692 -7.211 1.00 0.00 C ATOM 721 O ARG A 49 -7.095 -8.309 -6.171 1.00 0.00 O ATOM 722 CB ARG A 49 -5.240 -10.400 -5.947 1.00 0.00 C ATOM 723 CG ARG A 49 -3.921 -11.130 -5.753 1.00 0.00 C ATOM 724 CD ARG A 49 -3.893 -12.444 -6.518 1.00 0.00 C ATOM 725 NE ARG A 49 -4.976 -13.335 -6.113 1.00 0.00 N ATOM 726 CZ ARG A 49 -5.054 -14.611 -6.478 1.00 0.00 C ATOM 727 NH1 ARG A 49 -4.118 -15.140 -7.252 1.00 0.00 N ATOM 728 NH2 ARG A 49 -6.071 -15.358 -6.068 1.00 0.00 N ATOM 0 H ARG A 49 -4.149 -7.847 -6.596 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.251 -10.145 -8.080 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.438 -9.786 -5.069 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.045 -11.132 -6.012 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.100 -10.496 -6.088 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.763 -11.322 -4.692 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.969 -12.243 -7.587 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.936 -12.939 -6.354 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.713 -12.958 -5.517 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.335 -14.568 -7.569 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.180 -16.119 -7.531 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.794 -14.953 -5.472 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.130 -16.337 -6.348 1.00 0.00 H new ATOM 742 N PRO A 50 -7.065 -8.413 -8.421 1.00 0.00 N ATOM 743 CA PRO A 50 -8.294 -7.634 -8.605 1.00 0.00 C ATOM 744 C PRO A 50 -9.535 -8.394 -8.153 1.00 0.00 C ATOM 745 O PRO A 50 -10.656 -7.900 -8.274 1.00 0.00 O ATOM 746 CB PRO A 50 -8.337 -7.390 -10.116 1.00 0.00 C ATOM 747 CG PRO A 50 -7.554 -8.514 -10.703 1.00 0.00 C ATOM 748 CD PRO A 50 -6.479 -8.836 -9.703 1.00 0.00 C ATOM 0 HA PRO A 50 -8.289 -6.720 -8.012 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -9.362 -7.385 -10.487 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.900 -6.425 -10.374 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.190 -9.380 -10.884 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -7.122 -8.229 -11.662 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.237 -9.899 -9.702 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.556 -8.299 -9.919 1.00 0.00 H new ATOM 756 N ASP A 51 -9.328 -9.597 -7.630 1.00 0.00 N ATOM 757 CA ASP A 51 -10.431 -10.426 -7.157 1.00 0.00 C ATOM 758 C ASP A 51 -10.733 -10.143 -5.689 1.00 0.00 C ATOM 759 O ASP A 51 -11.885 -10.208 -5.256 1.00 0.00 O ATOM 760 CB ASP A 51 -10.102 -11.907 -7.347 1.00 0.00 C ATOM 761 CG ASP A 51 -10.422 -12.397 -8.746 1.00 0.00 C ATOM 762 OD1 ASP A 51 -10.474 -11.559 -9.670 1.00 0.00 O ATOM 763 OD2 ASP A 51 -10.621 -13.618 -8.916 1.00 0.00 O ATOM 0 H ASP A 51 -8.406 -10.020 -7.523 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.315 -10.180 -7.745 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.044 -12.070 -7.141 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -10.663 -12.497 -6.622 1.00 0.00 H new ATOM 768 N LEU A 52 -9.691 -9.832 -4.926 1.00 0.00 N ATOM 769 CA LEU A 52 -9.844 -9.540 -3.505 1.00 0.00 C ATOM 770 C LEU A 52 -10.843 -8.409 -3.285 1.00 0.00 C ATOM 771 O LEU A 52 -11.863 -8.588 -2.617 1.00 0.00 O ATOM 772 CB LEU A 52 -8.492 -9.168 -2.892 1.00 0.00 C ATOM 773 CG LEU A 52 -7.384 -10.212 -3.028 1.00 0.00 C ATOM 774 CD1 LEU A 52 -6.122 -9.746 -2.315 1.00 0.00 C ATOM 775 CD2 LEU A 52 -7.844 -11.553 -2.478 1.00 0.00 C ATOM 0 H LEU A 52 -8.731 -9.776 -5.267 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.225 -10.436 -3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.149 -8.241 -3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.641 -8.961 -1.832 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.155 -10.336 -4.087 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.344 -10.501 -2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.781 -8.809 -2.754 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.337 -9.594 -1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.042 -12.284 -2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.101 -11.445 -1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.719 -11.892 -3.032 1.00 0.00 H new ATOM 787 N LEU A 53 -10.547 -7.246 -3.852 1.00 0.00 N ATOM 788 CA LEU A 53 -11.421 -6.085 -3.721 1.00 0.00 C ATOM 789 C LEU A 53 -11.898 -5.605 -5.088 1.00 0.00 C ATOM 790 O LEU A 53 -11.549 -6.185 -6.116 1.00 0.00 O ATOM 791 CB LEU A 53 -10.692 -4.953 -2.996 1.00 0.00 C ATOM 792 CG LEU A 53 -9.393 -4.469 -3.640 1.00 0.00 C ATOM 793 CD1 LEU A 53 -9.169 -2.993 -3.347 1.00 0.00 C ATOM 794 CD2 LEU A 53 -8.214 -5.297 -3.151 1.00 0.00 C ATOM 0 H LEU A 53 -9.708 -7.081 -4.408 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.292 -6.381 -3.137 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.371 -4.104 -2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.470 -5.283 -1.981 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.476 -4.595 -4.719 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.240 -2.666 -3.813 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.000 -2.412 -3.748 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.107 -2.841 -2.269 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.298 -4.938 -3.620 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.128 -5.204 -2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.370 -6.343 -3.414 1.00 0.00 H new ATOM 806 N ASP A 54 -12.693 -4.541 -5.091 1.00 0.00 N ATOM 807 CA ASP A 54 -13.214 -3.981 -6.332 1.00 0.00 C ATOM 808 C ASP A 54 -13.019 -2.468 -6.369 1.00 0.00 C ATOM 809 O ASP A 54 -13.926 -1.706 -6.036 1.00 0.00 O ATOM 810 CB ASP A 54 -14.699 -4.319 -6.485 1.00 0.00 C ATOM 811 CG ASP A 54 -14.920 -5.688 -7.098 1.00 0.00 C ATOM 812 OD1 ASP A 54 -14.432 -6.682 -6.520 1.00 0.00 O ATOM 813 OD2 ASP A 54 -15.579 -5.765 -8.156 1.00 0.00 O ATOM 0 H ASP A 54 -12.991 -4.049 -4.248 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.661 -4.422 -7.161 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.180 -4.279 -5.508 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -15.179 -3.564 -7.107 1.00 0.00 H new ATOM 818 N PHE A 55 -11.828 -2.040 -6.776 1.00 0.00 N ATOM 819 CA PHE A 55 -11.513 -0.619 -6.855 1.00 0.00 C ATOM 820 C PHE A 55 -12.681 0.167 -7.441 1.00 0.00 C ATOM 821 O PHE A 55 -13.021 1.246 -6.958 1.00 0.00 O ATOM 822 CB PHE A 55 -10.259 -0.400 -7.704 1.00 0.00 C ATOM 823 CG PHE A 55 -9.463 0.808 -7.299 1.00 0.00 C ATOM 824 CD1 PHE A 55 -8.705 0.797 -6.140 1.00 0.00 C ATOM 825 CD2 PHE A 55 -9.475 1.955 -8.078 1.00 0.00 C ATOM 826 CE1 PHE A 55 -7.972 1.908 -5.764 1.00 0.00 C ATOM 827 CE2 PHE A 55 -8.744 3.066 -7.708 1.00 0.00 C ATOM 828 CZ PHE A 55 -7.993 3.044 -6.549 1.00 0.00 C ATOM 0 H PHE A 55 -11.066 -2.657 -7.056 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.327 -0.257 -5.844 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.624 -1.283 -7.634 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.551 -0.299 -8.749 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -8.686 -0.089 -5.523 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.063 1.979 -8.984 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.384 1.887 -4.858 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.759 3.952 -8.325 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.423 3.914 -6.257 1.00 0.00 H new ATOM 838 N GLU A 56 -13.293 -0.385 -8.485 1.00 0.00 N ATOM 839 CA GLU A 56 -14.423 0.265 -9.138 1.00 0.00 C ATOM 840 C GLU A 56 -15.603 0.399 -8.180 1.00 0.00 C ATOM 841 O GLU A 56 -16.346 1.378 -8.227 1.00 0.00 O ATOM 842 CB GLU A 56 -14.846 -0.525 -10.378 1.00 0.00 C ATOM 843 CG GLU A 56 -15.409 -1.901 -10.061 1.00 0.00 C ATOM 844 CD GLU A 56 -15.755 -2.691 -11.308 1.00 0.00 C ATOM 845 OE1 GLU A 56 -16.343 -2.102 -12.240 1.00 0.00 O ATOM 846 OE2 GLU A 56 -15.438 -3.898 -11.353 1.00 0.00 O ATOM 0 H GLU A 56 -13.025 -1.279 -8.896 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.109 1.264 -9.441 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.595 0.047 -10.925 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.986 -0.637 -11.038 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.682 -2.460 -9.471 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.302 -1.791 -9.446 1.00 0.00 H new ATOM 853 N SER A 57 -15.766 -0.595 -7.311 1.00 0.00 N ATOM 854 CA SER A 57 -16.857 -0.591 -6.343 1.00 0.00 C ATOM 855 C SER A 57 -16.621 0.459 -5.262 1.00 0.00 C ATOM 856 O SER A 57 -17.531 1.202 -4.892 1.00 0.00 O ATOM 857 CB SER A 57 -17.005 -1.973 -5.704 1.00 0.00 C ATOM 858 OG SER A 57 -17.851 -1.923 -4.569 1.00 0.00 O ATOM 0 H SER A 57 -15.157 -1.412 -7.258 1.00 0.00 H new ATOM 0 HA SER A 57 -17.777 -0.342 -6.871 1.00 0.00 H new ATOM 0 HB2 SER A 57 -17.412 -2.673 -6.434 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.024 -2.350 -5.414 1.00 0.00 H new ATOM 0 HG SER A 57 -17.930 -2.819 -4.180 1.00 0.00 H new ATOM 864 N LEU A 58 -15.393 0.514 -4.758 1.00 0.00 N ATOM 865 CA LEU A 58 -15.035 1.473 -3.718 1.00 0.00 C ATOM 866 C LEU A 58 -15.308 2.900 -4.177 1.00 0.00 C ATOM 867 O LEU A 58 -15.472 3.162 -5.369 1.00 0.00 O ATOM 868 CB LEU A 58 -13.560 1.319 -3.342 1.00 0.00 C ATOM 869 CG LEU A 58 -13.091 -0.104 -3.034 1.00 0.00 C ATOM 870 CD1 LEU A 58 -11.579 -0.142 -2.867 1.00 0.00 C ATOM 871 CD2 LEU A 58 -13.780 -0.635 -1.786 1.00 0.00 C ATOM 0 H LEU A 58 -14.629 -0.094 -5.052 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.650 1.269 -2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.955 1.711 -4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.361 1.942 -2.470 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.361 -0.745 -3.874 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.263 -1.162 -2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.103 0.196 -3.787 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.287 0.512 -2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.434 -1.648 -1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.542 0.007 -0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.859 -0.645 -1.942 1.00 0.00 H new ATOM 883 N LYS A 59 -15.354 3.825 -3.222 1.00 0.00 N ATOM 884 CA LYS A 59 -15.603 5.229 -3.527 1.00 0.00 C ATOM 885 C LYS A 59 -14.666 6.132 -2.734 1.00 0.00 C ATOM 886 O LYS A 59 -14.282 5.812 -1.609 1.00 0.00 O ATOM 887 CB LYS A 59 -17.058 5.588 -3.217 1.00 0.00 C ATOM 888 CG LYS A 59 -17.374 7.061 -3.403 1.00 0.00 C ATOM 889 CD LYS A 59 -18.813 7.274 -3.842 1.00 0.00 C ATOM 890 CE LYS A 59 -19.781 7.107 -2.681 1.00 0.00 C ATOM 891 NZ LYS A 59 -21.068 7.814 -2.925 1.00 0.00 N ATOM 0 H LYS A 59 -15.222 3.626 -2.230 1.00 0.00 H new ATOM 0 HA LYS A 59 -15.415 5.384 -4.589 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -17.713 5.001 -3.860 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -17.282 5.304 -2.189 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -17.196 7.593 -2.468 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -16.700 7.487 -4.146 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -18.921 8.272 -4.266 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -19.063 6.564 -4.630 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -19.974 6.047 -2.519 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -19.324 7.490 -1.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -21.700 7.676 -2.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -20.887 8.830 -3.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -21.518 7.431 -3.781 1.00 0.00 H new ATOM 905 N LYS A 60 -14.300 7.264 -3.327 1.00 0.00 N ATOM 906 CA LYS A 60 -13.409 8.216 -2.675 1.00 0.00 C ATOM 907 C LYS A 60 -13.974 8.657 -1.328 1.00 0.00 C ATOM 908 O LYS A 60 -13.241 8.772 -0.345 1.00 0.00 O ATOM 909 CB LYS A 60 -13.191 9.437 -3.571 1.00 0.00 C ATOM 910 CG LYS A 60 -12.134 10.395 -3.049 1.00 0.00 C ATOM 911 CD LYS A 60 -10.755 10.050 -3.585 1.00 0.00 C ATOM 912 CE LYS A 60 -10.465 10.780 -4.887 1.00 0.00 C ATOM 913 NZ LYS A 60 -9.344 10.151 -5.638 1.00 0.00 N ATOM 0 H LYS A 60 -14.607 7.544 -4.258 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.453 7.721 -2.504 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.903 9.100 -4.567 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.134 9.973 -3.676 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.392 11.414 -3.336 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.120 10.364 -1.960 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.000 10.311 -2.844 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.685 8.974 -3.746 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.361 10.784 -5.508 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.220 11.820 -4.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.110 10.735 -6.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.511 10.077 -5.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.627 9.201 -5.953 1.00 0.00 H new ATOM 927 N CYS A 61 -15.280 8.897 -1.290 1.00 0.00 N ATOM 928 CA CYS A 61 -15.943 9.323 -0.062 1.00 0.00 C ATOM 929 C CYS A 61 -15.551 8.425 1.107 1.00 0.00 C ATOM 930 O CYS A 61 -14.953 8.883 2.081 1.00 0.00 O ATOM 931 CB CYS A 61 -17.461 9.307 -0.246 1.00 0.00 C ATOM 932 SG CYS A 61 -18.355 10.374 0.908 1.00 0.00 S ATOM 0 H CYS A 61 -15.900 8.804 -2.094 1.00 0.00 H new ATOM 0 HA CYS A 61 -15.622 10.340 0.161 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -17.696 9.614 -1.265 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -17.820 8.284 -0.131 1.00 0.00 H new ATOM 0 HG CYS A 61 -19.631 10.295 0.673 1.00 0.00 H new ATOM 938 N ASN A 62 -15.894 7.146 1.005 1.00 0.00 N ATOM 939 CA ASN A 62 -15.580 6.183 2.055 1.00 0.00 C ATOM 940 C ASN A 62 -14.070 6.026 2.215 1.00 0.00 C ATOM 941 O ASN A 62 -13.430 5.294 1.460 1.00 0.00 O ATOM 942 CB ASN A 62 -16.215 4.827 1.741 1.00 0.00 C ATOM 943 CG ASN A 62 -17.613 4.698 2.315 1.00 0.00 C ATOM 944 OD1 ASN A 62 -18.589 4.564 1.577 1.00 0.00 O ATOM 945 ND2 ASN A 62 -17.715 4.737 3.638 1.00 0.00 N ATOM 0 H ASN A 62 -16.390 6.751 0.206 1.00 0.00 H new ATOM 0 HA ASN A 62 -15.990 6.559 2.992 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -16.254 4.688 0.661 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -15.586 4.032 2.142 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -18.630 4.654 4.082 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -16.879 4.850 4.211 1.00 0.00 H new ATOM 952 N ALA A 63 -13.510 6.716 3.201 1.00 0.00 N ATOM 953 CA ALA A 63 -12.077 6.650 3.461 1.00 0.00 C ATOM 954 C ALA A 63 -11.752 5.555 4.472 1.00 0.00 C ATOM 955 O ALA A 63 -10.879 4.719 4.237 1.00 0.00 O ATOM 956 CB ALA A 63 -11.568 7.996 3.956 1.00 0.00 C ATOM 0 H ALA A 63 -14.026 7.328 3.834 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.574 6.405 2.526 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.497 7.932 4.146 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.758 8.757 3.199 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -12.085 8.264 4.878 1.00 0.00 H new ATOM 962 N HIS A 64 -12.459 5.566 5.598 1.00 0.00 N ATOM 963 CA HIS A 64 -12.245 4.574 6.644 1.00 0.00 C ATOM 964 C HIS A 64 -12.574 3.172 6.139 1.00 0.00 C ATOM 965 O HIS A 64 -11.753 2.259 6.234 1.00 0.00 O ATOM 966 CB HIS A 64 -13.101 4.901 7.869 1.00 0.00 C ATOM 967 CG HIS A 64 -13.049 3.848 8.934 1.00 0.00 C ATOM 968 ND1 HIS A 64 -12.196 3.913 10.014 1.00 0.00 N ATOM 969 CD2 HIS A 64 -13.753 2.702 9.080 1.00 0.00 C ATOM 970 CE1 HIS A 64 -12.376 2.851 10.780 1.00 0.00 C ATOM 971 NE2 HIS A 64 -13.316 2.100 10.234 1.00 0.00 N ATOM 0 H HIS A 64 -13.185 6.251 5.809 1.00 0.00 H new ATOM 0 HA HIS A 64 -11.193 4.602 6.927 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -12.770 5.850 8.291 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.136 5.037 7.554 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -11.529 4.664 10.194 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -14.517 2.330 8.413 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.846 2.634 11.695 1.00 0.00 H new ATOM 980 N TYR A 65 -13.778 3.009 5.602 1.00 0.00 N ATOM 981 CA TYR A 65 -14.216 1.718 5.085 1.00 0.00 C ATOM 982 C TYR A 65 -13.257 1.207 4.014 1.00 0.00 C ATOM 983 O TYR A 65 -12.973 0.012 3.939 1.00 0.00 O ATOM 984 CB TYR A 65 -15.629 1.828 4.511 1.00 0.00 C ATOM 985 CG TYR A 65 -16.051 0.620 3.706 1.00 0.00 C ATOM 986 CD1 TYR A 65 -15.524 0.382 2.443 1.00 0.00 C ATOM 987 CD2 TYR A 65 -16.977 -0.286 4.209 1.00 0.00 C ATOM 988 CE1 TYR A 65 -15.907 -0.720 1.703 1.00 0.00 C ATOM 989 CE2 TYR A 65 -17.365 -1.392 3.478 1.00 0.00 C ATOM 990 CZ TYR A 65 -16.828 -1.605 2.225 1.00 0.00 C ATOM 991 OH TYR A 65 -17.211 -2.704 1.492 1.00 0.00 O ATOM 0 H TYR A 65 -14.468 3.755 5.513 1.00 0.00 H new ATOM 0 HA TYR A 65 -14.222 1.007 5.911 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -16.334 1.973 5.329 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -15.687 2.714 3.879 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -14.801 1.071 2.032 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -17.401 -0.122 5.189 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.488 -0.888 0.722 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -18.085 -2.086 3.885 1.00 0.00 H new ATOM 0 HH TYR A 65 -17.864 -3.226 2.003 1.00 0.00 H new ATOM 1001 N ASN A 66 -12.762 2.122 3.188 1.00 0.00 N ATOM 1002 CA ASN A 66 -11.835 1.765 2.119 1.00 0.00 C ATOM 1003 C ASN A 66 -10.493 1.318 2.690 1.00 0.00 C ATOM 1004 O ASN A 66 -9.803 0.484 2.103 1.00 0.00 O ATOM 1005 CB ASN A 66 -11.630 2.952 1.176 1.00 0.00 C ATOM 1006 CG ASN A 66 -12.734 3.065 0.142 1.00 0.00 C ATOM 1007 OD1 ASN A 66 -13.719 2.329 0.185 1.00 0.00 O ATOM 1008 ND2 ASN A 66 -12.572 3.992 -0.797 1.00 0.00 N ATOM 0 H ASN A 66 -12.987 3.116 3.238 1.00 0.00 H new ATOM 0 HA ASN A 66 -12.267 0.935 1.560 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.586 3.872 1.759 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.670 2.849 0.669 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -13.281 4.115 -1.520 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -11.739 4.581 -0.794 1.00 0.00 H new ATOM 1015 N LEU A 67 -10.130 1.878 3.840 1.00 0.00 N ATOM 1016 CA LEU A 67 -8.870 1.537 4.492 1.00 0.00 C ATOM 1017 C LEU A 67 -8.935 0.141 5.105 1.00 0.00 C ATOM 1018 O LEU A 67 -8.316 -0.796 4.603 1.00 0.00 O ATOM 1019 CB LEU A 67 -8.538 2.566 5.573 1.00 0.00 C ATOM 1020 CG LEU A 67 -7.883 3.860 5.090 1.00 0.00 C ATOM 1021 CD1 LEU A 67 -8.043 4.959 6.128 1.00 0.00 C ATOM 1022 CD2 LEU A 67 -6.412 3.629 4.776 1.00 0.00 C ATOM 0 H LEU A 67 -10.690 2.569 4.339 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.084 1.546 3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.459 2.822 6.097 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.876 2.097 6.301 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.383 4.178 4.175 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.571 5.872 5.767 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.103 5.143 6.302 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.570 4.650 7.060 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.962 4.561 4.434 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.898 3.286 5.674 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.321 2.874 3.995 1.00 0.00 H new ATOM 1034 N GLN A 68 -9.690 0.012 6.191 1.00 0.00 N ATOM 1035 CA GLN A 68 -9.836 -1.270 6.871 1.00 0.00 C ATOM 1036 C GLN A 68 -9.947 -2.410 5.864 1.00 0.00 C ATOM 1037 O GLN A 68 -9.451 -3.510 6.103 1.00 0.00 O ATOM 1038 CB GLN A 68 -11.069 -1.253 7.777 1.00 0.00 C ATOM 1039 CG GLN A 68 -12.383 -1.338 7.018 1.00 0.00 C ATOM 1040 CD GLN A 68 -12.806 -2.768 6.742 1.00 0.00 C ATOM 1041 OE1 GLN A 68 -12.653 -3.646 7.590 1.00 0.00 O ATOM 1042 NE2 GLN A 68 -13.341 -3.007 5.551 1.00 0.00 N ATOM 0 H GLN A 68 -10.210 0.778 6.619 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.947 -1.433 7.481 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.008 -2.088 8.475 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.061 -0.339 8.371 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -13.163 -0.837 7.592 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.288 -0.802 6.073 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.449 -2.248 4.879 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.645 -3.950 5.308 1.00 0.00 H new ATOM 1051 N ASN A 69 -10.600 -2.139 4.740 1.00 0.00 N ATOM 1052 CA ASN A 69 -10.776 -3.144 3.696 1.00 0.00 C ATOM 1053 C ASN A 69 -9.427 -3.635 3.181 1.00 0.00 C ATOM 1054 O ASN A 69 -9.202 -4.838 3.050 1.00 0.00 O ATOM 1055 CB ASN A 69 -11.598 -2.570 2.541 1.00 0.00 C ATOM 1056 CG ASN A 69 -12.096 -3.647 1.596 1.00 0.00 C ATOM 1057 OD1 ASN A 69 -12.852 -4.534 1.992 1.00 0.00 O ATOM 1058 ND2 ASN A 69 -11.673 -3.573 0.339 1.00 0.00 N ATOM 0 H ASN A 69 -11.017 -1.233 4.527 1.00 0.00 H new ATOM 0 HA ASN A 69 -11.310 -3.991 4.127 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.449 -2.020 2.942 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -10.990 -1.856 1.986 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -11.975 -4.269 -0.342 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -11.046 -2.820 0.055 1.00 0.00 H new ATOM 1065 N ALA A 70 -8.532 -2.695 2.892 1.00 0.00 N ATOM 1066 CA ALA A 70 -7.205 -3.033 2.393 1.00 0.00 C ATOM 1067 C ALA A 70 -6.360 -3.688 3.481 1.00 0.00 C ATOM 1068 O ALA A 70 -5.766 -4.745 3.267 1.00 0.00 O ATOM 1069 CB ALA A 70 -6.510 -1.788 1.861 1.00 0.00 C ATOM 0 H ALA A 70 -8.702 -1.695 2.995 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.320 -3.749 1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.520 -2.054 1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.098 -1.362 1.048 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.413 -1.055 2.662 1.00 0.00 H new ATOM 1075 N PHE A 71 -6.310 -3.054 4.648 1.00 0.00 N ATOM 1076 CA PHE A 71 -5.537 -3.575 5.769 1.00 0.00 C ATOM 1077 C PHE A 71 -5.931 -5.017 6.079 1.00 0.00 C ATOM 1078 O PHE A 71 -5.078 -5.899 6.164 1.00 0.00 O ATOM 1079 CB PHE A 71 -5.742 -2.701 7.008 1.00 0.00 C ATOM 1080 CG PHE A 71 -5.283 -1.283 6.824 1.00 0.00 C ATOM 1081 CD1 PHE A 71 -4.085 -1.007 6.187 1.00 0.00 C ATOM 1082 CD2 PHE A 71 -6.050 -0.227 7.287 1.00 0.00 C ATOM 1083 CE1 PHE A 71 -3.659 0.297 6.018 1.00 0.00 C ATOM 1084 CE2 PHE A 71 -5.631 1.080 7.120 1.00 0.00 C ATOM 1085 CZ PHE A 71 -4.434 1.342 6.483 1.00 0.00 C ATOM 0 H PHE A 71 -6.796 -2.178 4.842 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.483 -3.557 5.490 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.800 -2.701 7.272 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.204 -3.142 7.847 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -3.477 -1.820 5.818 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -6.987 -0.427 7.785 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -2.721 0.499 5.523 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -6.238 1.894 7.487 1.00 0.00 H new ATOM 0 HZ PHE A 71 -4.104 2.362 6.349 1.00 0.00 H new ATOM 1095 N ASN A 72 -7.230 -5.245 6.244 1.00 0.00 N ATOM 1096 CA ASN A 72 -7.738 -6.579 6.546 1.00 0.00 C ATOM 1097 C ASN A 72 -7.477 -7.535 5.386 1.00 0.00 C ATOM 1098 O ASN A 72 -6.996 -8.651 5.583 1.00 0.00 O ATOM 1099 CB ASN A 72 -9.237 -6.521 6.847 1.00 0.00 C ATOM 1100 CG ASN A 72 -9.546 -5.709 8.090 1.00 0.00 C ATOM 1101 OD1 ASN A 72 -8.961 -5.931 9.151 1.00 0.00 O ATOM 1102 ND2 ASN A 72 -10.468 -4.762 7.964 1.00 0.00 N ATOM 0 H ASN A 72 -7.949 -4.525 6.174 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.212 -6.951 7.426 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.760 -6.088 5.994 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.619 -7.534 6.974 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.717 -4.183 8.766 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.927 -4.613 7.065 1.00 0.00 H new ATOM 1109 N LEU A 73 -7.800 -7.090 4.176 1.00 0.00 N ATOM 1110 CA LEU A 73 -7.601 -7.905 2.984 1.00 0.00 C ATOM 1111 C LEU A 73 -6.160 -8.401 2.896 1.00 0.00 C ATOM 1112 O LEU A 73 -5.914 -9.590 2.698 1.00 0.00 O ATOM 1113 CB LEU A 73 -7.952 -7.103 1.729 1.00 0.00 C ATOM 1114 CG LEU A 73 -9.413 -7.163 1.282 1.00 0.00 C ATOM 1115 CD1 LEU A 73 -9.623 -6.326 0.031 1.00 0.00 C ATOM 1116 CD2 LEU A 73 -9.839 -8.604 1.040 1.00 0.00 C ATOM 0 H LEU A 73 -8.201 -6.169 3.996 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.260 -8.770 3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.689 -6.060 1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.327 -7.457 0.909 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.033 -6.751 2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.669 -6.381 -0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.359 -5.289 0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.992 -6.707 -0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.882 -8.627 0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.213 -9.043 0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.728 -9.176 1.961 1.00 0.00 H new ATOM 1128 N ALA A 74 -5.213 -7.481 3.048 1.00 0.00 N ATOM 1129 CA ALA A 74 -3.798 -7.825 2.992 1.00 0.00 C ATOM 1130 C ALA A 74 -3.357 -8.549 4.260 1.00 0.00 C ATOM 1131 O ALA A 74 -2.432 -9.359 4.233 1.00 0.00 O ATOM 1132 CB ALA A 74 -2.959 -6.574 2.777 1.00 0.00 C ATOM 0 H ALA A 74 -5.400 -6.492 3.211 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.647 -8.500 2.150 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.904 -6.846 2.737 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.247 -6.099 1.839 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.124 -5.879 3.601 1.00 0.00 H new ATOM 1138 N GLU A 75 -4.026 -8.250 5.369 1.00 0.00 N ATOM 1139 CA GLU A 75 -3.702 -8.872 6.647 1.00 0.00 C ATOM 1140 C GLU A 75 -4.212 -10.309 6.698 1.00 0.00 C ATOM 1141 O GLU A 75 -3.736 -11.122 7.491 1.00 0.00 O ATOM 1142 CB GLU A 75 -4.302 -8.065 7.799 1.00 0.00 C ATOM 1143 CG GLU A 75 -4.170 -8.744 9.152 1.00 0.00 C ATOM 1144 CD GLU A 75 -5.166 -9.874 9.337 1.00 0.00 C ATOM 1145 OE1 GLU A 75 -6.306 -9.746 8.842 1.00 0.00 O ATOM 1146 OE2 GLU A 75 -4.806 -10.882 9.977 1.00 0.00 O ATOM 0 H GLU A 75 -4.795 -7.581 5.408 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.617 -8.886 6.750 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.814 -7.091 7.842 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.357 -7.884 7.594 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.158 -9.135 9.261 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.313 -8.005 9.941 1.00 0.00 H new ATOM 1153 N LYS A 76 -5.186 -10.616 5.847 1.00 0.00 N ATOM 1154 CA LYS A 76 -5.763 -11.954 5.792 1.00 0.00 C ATOM 1155 C LYS A 76 -5.232 -12.726 4.589 1.00 0.00 C ATOM 1156 O LYS A 76 -4.624 -13.786 4.739 1.00 0.00 O ATOM 1157 CB LYS A 76 -7.290 -11.871 5.727 1.00 0.00 C ATOM 1158 CG LYS A 76 -7.980 -13.209 5.928 1.00 0.00 C ATOM 1159 CD LYS A 76 -7.875 -13.680 7.369 1.00 0.00 C ATOM 1160 CE LYS A 76 -8.956 -13.055 8.238 1.00 0.00 C ATOM 1161 NZ LYS A 76 -10.315 -13.535 7.865 1.00 0.00 N ATOM 0 H LYS A 76 -5.593 -9.955 5.185 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.473 -12.486 6.698 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.640 -11.173 6.487 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.583 -11.462 4.760 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.030 -13.124 5.648 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.533 -13.952 5.268 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -7.960 -14.766 7.405 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -6.893 -13.423 7.767 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.762 -13.291 9.284 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.916 -11.970 8.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.958 -13.419 8.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.669 -12.982 7.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.268 -14.540 7.601 1.00 0.00 H new ATOM 1175 N GLU A 77 -5.466 -12.188 3.396 1.00 0.00 N ATOM 1176 CA GLU A 77 -5.011 -12.828 2.168 1.00 0.00 C ATOM 1177 C GLU A 77 -3.494 -12.995 2.171 1.00 0.00 C ATOM 1178 O GLU A 77 -2.981 -14.110 2.293 1.00 0.00 O ATOM 1179 CB GLU A 77 -5.441 -12.007 0.950 1.00 0.00 C ATOM 1180 CG GLU A 77 -6.943 -11.804 0.852 1.00 0.00 C ATOM 1181 CD GLU A 77 -7.714 -13.108 0.924 1.00 0.00 C ATOM 1182 OE1 GLU A 77 -7.194 -14.131 0.432 1.00 0.00 O ATOM 1183 OE2 GLU A 77 -8.836 -13.105 1.471 1.00 0.00 O ATOM 0 H GLU A 77 -5.968 -11.311 3.254 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.468 -13.816 2.113 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.953 -11.033 0.988 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.090 -12.504 0.045 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.270 -11.148 1.658 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.177 -11.299 -0.085 1.00 0.00 H new ATOM 1190 N LEU A 78 -2.781 -11.883 2.038 1.00 0.00 N ATOM 1191 CA LEU A 78 -1.322 -11.906 2.025 1.00 0.00 C ATOM 1192 C LEU A 78 -0.775 -12.475 3.330 1.00 0.00 C ATOM 1193 O LEU A 78 0.155 -13.280 3.327 1.00 0.00 O ATOM 1194 CB LEU A 78 -0.773 -10.495 1.800 1.00 0.00 C ATOM 1195 CG LEU A 78 -1.409 -9.700 0.661 1.00 0.00 C ATOM 1196 CD1 LEU A 78 -0.974 -8.245 0.717 1.00 0.00 C ATOM 1197 CD2 LEU A 78 -1.049 -10.315 -0.685 1.00 0.00 C ATOM 0 H LEU A 78 -3.189 -10.953 1.938 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.000 -12.550 1.207 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.894 -9.928 2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.298 -10.570 1.610 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.492 -9.738 0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.437 -7.695 -0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.283 -7.809 1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.111 -8.186 0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.511 -9.736 -1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.034 -10.308 -0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.412 -11.342 -0.725 1.00 0.00 H new ATOM 1209 N GLY A 79 -1.362 -12.053 4.446 1.00 0.00 N ATOM 1210 CA GLY A 79 -0.922 -12.534 5.743 1.00 0.00 C ATOM 1211 C GLY A 79 0.043 -11.578 6.418 1.00 0.00 C ATOM 1212 O GLY A 79 1.021 -12.005 7.034 1.00 0.00 O ATOM 0 H GLY A 79 -2.134 -11.387 4.475 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.790 -12.684 6.385 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.443 -13.506 5.624 1.00 0.00 H new ATOM 1216 N LEU A 80 -0.229 -10.284 6.301 1.00 0.00 N ATOM 1217 CA LEU A 80 0.623 -9.265 6.903 1.00 0.00 C ATOM 1218 C LEU A 80 0.040 -8.779 8.225 1.00 0.00 C ATOM 1219 O LEU A 80 -1.178 -8.718 8.395 1.00 0.00 O ATOM 1220 CB LEU A 80 0.797 -8.085 5.944 1.00 0.00 C ATOM 1221 CG LEU A 80 1.610 -8.362 4.679 1.00 0.00 C ATOM 1222 CD1 LEU A 80 1.290 -7.336 3.604 1.00 0.00 C ATOM 1223 CD2 LEU A 80 3.099 -8.362 4.992 1.00 0.00 C ATOM 0 H LEU A 80 -1.034 -9.915 5.794 1.00 0.00 H new ATOM 0 HA LEU A 80 1.598 -9.712 7.100 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.192 -7.735 5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.274 -7.269 6.487 1.00 0.00 H new ATOM 0 HG LEU A 80 1.338 -9.348 4.304 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.878 -7.549 2.711 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.229 -7.384 3.360 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.534 -6.338 3.969 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.662 -8.561 4.080 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.387 -7.390 5.392 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.316 -9.136 5.729 1.00 0.00 H new ATOM 1235 N THR A 81 0.918 -8.432 9.162 1.00 0.00 N ATOM 1236 CA THR A 81 0.491 -7.950 10.469 1.00 0.00 C ATOM 1237 C THR A 81 0.084 -6.481 10.408 1.00 0.00 C ATOM 1238 O THR A 81 0.896 -5.616 10.082 1.00 0.00 O ATOM 1239 CB THR A 81 1.602 -8.120 11.522 1.00 0.00 C ATOM 1240 OG1 THR A 81 1.980 -9.497 11.616 1.00 0.00 O ATOM 1241 CG2 THR A 81 1.141 -7.621 12.882 1.00 0.00 C ATOM 0 H THR A 81 1.930 -8.476 9.039 1.00 0.00 H new ATOM 0 HA THR A 81 -0.370 -8.551 10.761 1.00 0.00 H new ATOM 0 HB THR A 81 2.462 -7.528 11.209 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.688 -9.597 12.286 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.943 -7.752 13.609 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.882 -6.564 12.813 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.267 -8.189 13.201 1.00 0.00 H new ATOM 1249 N LYS A 82 -1.176 -6.208 10.725 1.00 0.00 N ATOM 1250 CA LYS A 82 -1.691 -4.843 10.709 1.00 0.00 C ATOM 1251 C LYS A 82 -0.837 -3.930 11.582 1.00 0.00 C ATOM 1252 O LYS A 82 -0.952 -3.940 12.808 1.00 0.00 O ATOM 1253 CB LYS A 82 -3.142 -4.817 11.192 1.00 0.00 C ATOM 1254 CG LYS A 82 -4.158 -4.983 10.075 1.00 0.00 C ATOM 1255 CD LYS A 82 -5.558 -4.613 10.536 1.00 0.00 C ATOM 1256 CE LYS A 82 -6.197 -5.736 11.339 1.00 0.00 C ATOM 1257 NZ LYS A 82 -6.568 -6.892 10.475 1.00 0.00 N ATOM 0 H LYS A 82 -1.861 -6.914 10.996 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.650 -4.478 9.683 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.287 -5.611 11.924 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.329 -3.873 11.704 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.875 -4.357 9.229 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -4.150 -6.015 9.725 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.515 -3.709 11.144 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -6.179 -4.385 9.670 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -5.506 -6.068 12.113 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -7.086 -5.360 11.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -6.367 -7.780 10.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -7.582 -6.845 10.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -6.015 -6.859 9.595 1.00 0.00 H new ATOM 1271 N LEU A 83 0.018 -3.138 10.943 1.00 0.00 N ATOM 1272 CA LEU A 83 0.891 -2.217 11.662 1.00 0.00 C ATOM 1273 C LEU A 83 0.187 -0.887 11.918 1.00 0.00 C ATOM 1274 O LEU A 83 0.369 -0.267 12.966 1.00 0.00 O ATOM 1275 CB LEU A 83 2.179 -1.980 10.870 1.00 0.00 C ATOM 1276 CG LEU A 83 2.945 -3.233 10.446 1.00 0.00 C ATOM 1277 CD1 LEU A 83 4.243 -2.855 9.750 1.00 0.00 C ATOM 1278 CD2 LEU A 83 3.224 -4.121 11.651 1.00 0.00 C ATOM 0 H LEU A 83 0.125 -3.115 9.929 1.00 0.00 H new ATOM 0 HA LEU A 83 1.140 -2.667 12.623 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.932 -1.409 9.975 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.843 -1.359 11.471 1.00 0.00 H new ATOM 0 HG LEU A 83 2.328 -3.792 9.742 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.775 -3.760 9.455 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.021 -2.260 8.864 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.865 -2.274 10.431 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.770 -5.008 11.330 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.821 -3.571 12.378 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.281 -4.421 12.108 1.00 0.00 H new ATOM 1290 N LEU A 84 -0.620 -0.457 10.955 1.00 0.00 N ATOM 1291 CA LEU A 84 -1.355 0.797 11.076 1.00 0.00 C ATOM 1292 C LEU A 84 -2.828 0.540 11.380 1.00 0.00 C ATOM 1293 O LEU A 84 -3.242 -0.605 11.562 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.224 1.615 9.790 1.00 0.00 C ATOM 1295 CG LEU A 84 0.174 2.150 9.474 1.00 0.00 C ATOM 1296 CD1 LEU A 84 0.157 2.962 8.188 1.00 0.00 C ATOM 1297 CD2 LEU A 84 0.698 2.988 10.630 1.00 0.00 C ATOM 0 H LEU A 84 -0.782 -0.958 10.082 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.925 1.361 11.904 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.552 0.996 8.955 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.910 2.460 9.849 1.00 0.00 H new ATOM 0 HG LEU A 84 0.844 1.302 9.334 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.160 3.334 7.979 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.174 2.331 7.363 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.527 3.804 8.298 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.693 3.360 10.388 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.028 3.830 10.802 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.749 2.375 11.530 1.00 0.00 H new ATOM 1309 N ASP A 85 -3.612 1.610 11.428 1.00 0.00 N ATOM 1310 CA ASP A 85 -5.040 1.500 11.706 1.00 0.00 C ATOM 1311 C ASP A 85 -5.842 2.442 10.814 1.00 0.00 C ATOM 1312 O ASP A 85 -5.397 3.536 10.467 1.00 0.00 O ATOM 1313 CB ASP A 85 -5.320 1.808 13.178 1.00 0.00 C ATOM 1314 CG ASP A 85 -4.896 0.679 14.097 1.00 0.00 C ATOM 1315 OD1 ASP A 85 -3.675 0.461 14.244 1.00 0.00 O ATOM 1316 OD2 ASP A 85 -5.785 0.016 14.670 1.00 0.00 O ATOM 0 H ASP A 85 -3.284 2.564 11.278 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.349 0.477 11.492 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.795 2.720 13.462 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.385 1.999 13.310 1.00 0.00 H new ATOM 1321 N PRO A 86 -7.052 2.009 10.432 1.00 0.00 N ATOM 1322 CA PRO A 86 -7.941 2.799 9.575 1.00 0.00 C ATOM 1323 C PRO A 86 -8.498 4.025 10.290 1.00 0.00 C ATOM 1324 O PRO A 86 -9.240 4.812 9.704 1.00 0.00 O ATOM 1325 CB PRO A 86 -9.068 1.820 9.236 1.00 0.00 C ATOM 1326 CG PRO A 86 -9.077 0.847 10.364 1.00 0.00 C ATOM 1327 CD PRO A 86 -7.646 0.715 10.808 1.00 0.00 C ATOM 0 HA PRO A 86 -7.421 3.192 8.701 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.025 2.334 9.149 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.886 1.321 8.284 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -9.708 1.201 11.180 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -9.477 -0.116 10.046 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -7.573 0.536 11.881 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.146 -0.116 10.311 1.00 0.00 H new ATOM 1335 N GLU A 87 -8.134 4.179 11.560 1.00 0.00 N ATOM 1336 CA GLU A 87 -8.599 5.311 12.354 1.00 0.00 C ATOM 1337 C GLU A 87 -7.427 6.185 12.793 1.00 0.00 C ATOM 1338 O GLU A 87 -7.600 7.364 13.101 1.00 0.00 O ATOM 1339 CB GLU A 87 -9.368 4.819 13.581 1.00 0.00 C ATOM 1340 CG GLU A 87 -8.677 3.686 14.320 1.00 0.00 C ATOM 1341 CD GLU A 87 -9.163 3.538 15.748 1.00 0.00 C ATOM 1342 OE1 GLU A 87 -8.794 4.381 16.593 1.00 0.00 O ATOM 1343 OE2 GLU A 87 -9.915 2.579 16.022 1.00 0.00 O ATOM 0 H GLU A 87 -7.520 3.536 12.060 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.264 5.910 11.732 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.513 5.654 14.267 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.358 4.487 13.269 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.846 2.752 13.784 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.601 3.862 14.323 1.00 0.00 H new ATOM 1350 N ASP A 88 -6.235 5.598 12.818 1.00 0.00 N ATOM 1351 CA ASP A 88 -5.034 6.322 13.218 1.00 0.00 C ATOM 1352 C ASP A 88 -4.384 7.001 12.016 1.00 0.00 C ATOM 1353 O ASP A 88 -3.721 8.029 12.154 1.00 0.00 O ATOM 1354 CB ASP A 88 -4.039 5.372 13.884 1.00 0.00 C ATOM 1355 CG ASP A 88 -3.205 6.060 14.948 1.00 0.00 C ATOM 1356 OD1 ASP A 88 -3.744 6.950 15.640 1.00 0.00 O ATOM 1357 OD2 ASP A 88 -2.016 5.707 15.089 1.00 0.00 O ATOM 0 H ASP A 88 -6.075 4.623 12.566 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.324 7.091 13.934 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -4.581 4.539 14.333 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.379 4.951 13.125 1.00 0.00 H new ATOM 1362 N VAL A 89 -4.575 6.417 10.838 1.00 0.00 N ATOM 1363 CA VAL A 89 -4.007 6.965 9.612 1.00 0.00 C ATOM 1364 C VAL A 89 -4.945 7.989 8.981 1.00 0.00 C ATOM 1365 O VAL A 89 -4.514 9.061 8.560 1.00 0.00 O ATOM 1366 CB VAL A 89 -3.712 5.854 8.585 1.00 0.00 C ATOM 1367 CG1 VAL A 89 -2.935 6.414 7.403 1.00 0.00 C ATOM 1368 CG2 VAL A 89 -2.952 4.711 9.241 1.00 0.00 C ATOM 0 H VAL A 89 -5.119 5.564 10.706 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.072 7.454 9.887 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.660 5.463 8.214 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.735 5.616 6.688 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.521 7.196 6.920 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.991 6.832 7.753 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.752 3.935 8.502 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.009 5.083 9.641 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.550 4.294 10.051 1.00 0.00 H new ATOM 1378 N ASN A 90 -6.228 7.649 8.921 1.00 0.00 N ATOM 1379 CA ASN A 90 -7.227 8.540 8.342 1.00 0.00 C ATOM 1380 C ASN A 90 -7.324 9.840 9.136 1.00 0.00 C ATOM 1381 O ASN A 90 -8.243 10.025 9.934 1.00 0.00 O ATOM 1382 CB ASN A 90 -8.593 7.851 8.302 1.00 0.00 C ATOM 1383 CG ASN A 90 -9.702 8.791 7.872 1.00 0.00 C ATOM 1384 OD1 ASN A 90 -10.337 9.443 8.701 1.00 0.00 O ATOM 1385 ND2 ASN A 90 -9.942 8.866 6.567 1.00 0.00 N ATOM 0 H ASN A 90 -6.600 6.764 9.266 1.00 0.00 H new ATOM 0 HA ASN A 90 -6.917 8.779 7.325 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -8.550 7.006 7.615 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.823 7.449 9.289 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -10.677 9.482 6.218 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -9.392 8.308 5.914 1.00 0.00 H new ATOM 1392 N VAL A 91 -6.369 10.736 8.912 1.00 0.00 N ATOM 1393 CA VAL A 91 -6.346 12.020 9.605 1.00 0.00 C ATOM 1394 C VAL A 91 -5.846 13.130 8.688 1.00 0.00 C ATOM 1395 O VAL A 91 -5.285 12.866 7.625 1.00 0.00 O ATOM 1396 CB VAL A 91 -5.455 11.963 10.860 1.00 0.00 C ATOM 1397 CG1 VAL A 91 -3.994 11.795 10.471 1.00 0.00 C ATOM 1398 CG2 VAL A 91 -5.649 13.213 11.706 1.00 0.00 C ATOM 0 H VAL A 91 -5.600 10.597 8.256 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.371 12.237 9.906 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.749 11.098 11.455 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.380 11.757 11.371 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.871 10.869 9.908 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.682 12.638 9.855 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.012 13.157 12.589 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.382 14.093 11.121 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.692 13.285 12.015 1.00 0.00 H new ATOM 1408 N ASP A 92 -6.052 14.373 9.108 1.00 0.00 N ATOM 1409 CA ASP A 92 -5.620 15.526 8.325 1.00 0.00 C ATOM 1410 C ASP A 92 -4.161 15.381 7.905 1.00 0.00 C ATOM 1411 O ASP A 92 -3.837 15.448 6.720 1.00 0.00 O ATOM 1412 CB ASP A 92 -5.807 16.814 9.129 1.00 0.00 C ATOM 1413 CG ASP A 92 -7.183 16.908 9.759 1.00 0.00 C ATOM 1414 OD1 ASP A 92 -8.179 16.661 9.048 1.00 0.00 O ATOM 1415 OD2 ASP A 92 -7.264 17.229 10.963 1.00 0.00 O ATOM 0 H ASP A 92 -6.515 14.609 9.986 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.235 15.575 7.426 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.049 16.865 9.910 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.650 17.673 8.476 1.00 0.00 H new ATOM 1420 N GLN A 93 -3.285 15.185 8.886 1.00 0.00 N ATOM 1421 CA GLN A 93 -1.860 15.033 8.618 1.00 0.00 C ATOM 1422 C GLN A 93 -1.277 13.870 9.413 1.00 0.00 C ATOM 1423 O GLN A 93 -0.721 14.045 10.497 1.00 0.00 O ATOM 1424 CB GLN A 93 -1.114 16.324 8.959 1.00 0.00 C ATOM 1425 CG GLN A 93 -1.531 16.934 10.288 1.00 0.00 C ATOM 1426 CD GLN A 93 -0.707 16.417 11.451 1.00 0.00 C ATOM 1427 OE1 GLN A 93 -1.235 15.785 12.367 1.00 0.00 O ATOM 1428 NE2 GLN A 93 0.594 16.681 11.419 1.00 0.00 N ATOM 0 H GLN A 93 -3.537 15.128 9.873 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.737 14.821 7.556 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.043 16.120 8.982 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -1.283 17.052 8.165 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -1.434 18.018 10.232 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.584 16.717 10.469 1.00 0.00 H new ATOM 0 HE21 GLN A 93 0.988 17.208 10.640 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.199 16.357 12.173 1.00 0.00 H new ATOM 1437 N PRO A 94 -1.404 12.654 8.863 1.00 0.00 N ATOM 1438 CA PRO A 94 -0.896 11.437 9.505 1.00 0.00 C ATOM 1439 C PRO A 94 0.628 11.381 9.514 1.00 0.00 C ATOM 1440 O PRO A 94 1.293 12.204 8.885 1.00 0.00 O ATOM 1441 CB PRO A 94 -1.467 10.313 8.637 1.00 0.00 C ATOM 1442 CG PRO A 94 -1.687 10.938 7.303 1.00 0.00 C ATOM 1443 CD PRO A 94 -2.054 12.371 7.573 1.00 0.00 C ATOM 0 HA PRO A 94 -1.190 11.375 10.553 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.775 9.473 8.571 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -2.398 9.927 9.052 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.789 10.874 6.689 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.482 10.427 6.759 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.691 13.033 6.787 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.134 12.505 7.630 1.00 0.00 H new ATOM 1451 N ASP A 95 1.175 10.405 10.231 1.00 0.00 N ATOM 1452 CA ASP A 95 2.621 10.241 10.321 1.00 0.00 C ATOM 1453 C ASP A 95 3.147 9.413 9.153 1.00 0.00 C ATOM 1454 O ASP A 95 2.994 8.193 9.125 1.00 0.00 O ATOM 1455 CB ASP A 95 2.998 9.574 11.646 1.00 0.00 C ATOM 1456 CG ASP A 95 3.073 10.563 12.792 1.00 0.00 C ATOM 1457 OD1 ASP A 95 3.469 11.723 12.550 1.00 0.00 O ATOM 1458 OD2 ASP A 95 2.734 10.179 13.930 1.00 0.00 O ATOM 0 H ASP A 95 0.639 9.716 10.758 1.00 0.00 H new ATOM 0 HA ASP A 95 3.078 11.230 10.277 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.265 8.803 11.883 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.961 9.075 11.537 1.00 0.00 H new ATOM 1463 N GLU A 96 3.768 10.087 8.189 1.00 0.00 N ATOM 1464 CA GLU A 96 4.315 9.412 7.018 1.00 0.00 C ATOM 1465 C GLU A 96 5.308 8.329 7.427 1.00 0.00 C ATOM 1466 O GLU A 96 5.440 7.305 6.756 1.00 0.00 O ATOM 1467 CB GLU A 96 4.998 10.423 6.094 1.00 0.00 C ATOM 1468 CG GLU A 96 6.003 11.315 6.804 1.00 0.00 C ATOM 1469 CD GLU A 96 6.486 12.458 5.932 1.00 0.00 C ATOM 1470 OE1 GLU A 96 5.701 13.402 5.702 1.00 0.00 O ATOM 1471 OE2 GLU A 96 7.649 12.409 5.480 1.00 0.00 O ATOM 0 H GLU A 96 3.904 11.098 8.196 1.00 0.00 H new ATOM 0 HA GLU A 96 3.490 8.940 6.484 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.505 9.885 5.293 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.237 11.048 5.627 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.549 11.720 7.708 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.858 10.716 7.117 1.00 0.00 H new ATOM 1478 N LYS A 97 6.005 8.561 8.534 1.00 0.00 N ATOM 1479 CA LYS A 97 6.985 7.606 9.036 1.00 0.00 C ATOM 1480 C LYS A 97 6.305 6.331 9.521 1.00 0.00 C ATOM 1481 O LYS A 97 6.875 5.243 9.440 1.00 0.00 O ATOM 1482 CB LYS A 97 7.797 8.229 10.174 1.00 0.00 C ATOM 1483 CG LYS A 97 8.503 9.516 9.786 1.00 0.00 C ATOM 1484 CD LYS A 97 9.892 9.245 9.233 1.00 0.00 C ATOM 1485 CE LYS A 97 9.869 9.088 7.720 1.00 0.00 C ATOM 1486 NZ LYS A 97 10.075 10.388 7.024 1.00 0.00 N ATOM 0 H LYS A 97 5.909 9.403 9.101 1.00 0.00 H new ATOM 0 HA LYS A 97 7.656 7.348 8.217 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.133 8.428 11.015 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.538 7.507 10.517 1.00 0.00 H new ATOM 0 HG2 LYS A 97 7.911 10.046 9.040 1.00 0.00 H new ATOM 0 HG3 LYS A 97 8.578 10.168 10.656 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.559 10.063 9.505 1.00 0.00 H new ATOM 0 HD3 LYS A 97 10.296 8.340 9.688 1.00 0.00 H new ATOM 0 HE2 LYS A 97 10.646 8.386 7.416 1.00 0.00 H new ATOM 0 HE3 LYS A 97 8.915 8.659 7.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.053 10.238 5.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.320 11.050 7.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 10.997 10.785 7.296 1.00 0.00 H new ATOM 1500 N SER A 98 5.082 6.472 10.024 1.00 0.00 N ATOM 1501 CA SER A 98 4.324 5.331 10.524 1.00 0.00 C ATOM 1502 C SER A 98 3.677 4.563 9.375 1.00 0.00 C ATOM 1503 O SER A 98 3.227 3.430 9.548 1.00 0.00 O ATOM 1504 CB SER A 98 3.252 5.797 11.509 1.00 0.00 C ATOM 1505 OG SER A 98 3.813 6.080 12.780 1.00 0.00 O ATOM 0 H SER A 98 4.595 7.365 10.096 1.00 0.00 H new ATOM 0 HA SER A 98 5.015 4.664 11.039 1.00 0.00 H new ATOM 0 HB2 SER A 98 2.759 6.688 11.120 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.487 5.027 11.609 1.00 0.00 H new ATOM 0 HG SER A 98 3.106 6.378 13.391 1.00 0.00 H new ATOM 1511 N ILE A 99 3.637 5.188 8.203 1.00 0.00 N ATOM 1512 CA ILE A 99 3.046 4.564 7.026 1.00 0.00 C ATOM 1513 C ILE A 99 4.118 3.935 6.141 1.00 0.00 C ATOM 1514 O ILE A 99 3.990 2.788 5.715 1.00 0.00 O ATOM 1515 CB ILE A 99 2.241 5.579 6.194 1.00 0.00 C ATOM 1516 CG1 ILE A 99 1.101 6.166 7.030 1.00 0.00 C ATOM 1517 CG2 ILE A 99 1.696 4.921 4.935 1.00 0.00 C ATOM 1518 CD1 ILE A 99 0.605 7.501 6.522 1.00 0.00 C ATOM 0 H ILE A 99 4.007 6.125 8.043 1.00 0.00 H new ATOM 0 HA ILE A 99 2.372 3.787 7.386 1.00 0.00 H new ATOM 0 HB ILE A 99 2.906 6.390 5.897 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.270 5.460 7.044 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.438 6.281 8.060 1.00 0.00 H new ATOM 0 HG21 ILE A 99 1.130 5.652 4.358 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.524 4.546 4.333 1.00 0.00 H new ATOM 0 HG23 ILE A 99 1.044 4.092 5.211 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.202 7.857 7.162 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.423 8.222 6.535 1.00 0.00 H new ATOM 0 HD13 ILE A 99 0.236 7.388 5.502 1.00 0.00 H new ATOM 1530 N ILE A 100 5.174 4.695 5.871 1.00 0.00 N ATOM 1531 CA ILE A 100 6.268 4.212 5.039 1.00 0.00 C ATOM 1532 C ILE A 100 6.763 2.850 5.518 1.00 0.00 C ATOM 1533 O ILE A 100 7.170 2.009 4.717 1.00 0.00 O ATOM 1534 CB ILE A 100 7.450 5.201 5.033 1.00 0.00 C ATOM 1535 CG1 ILE A 100 7.026 6.531 4.408 1.00 0.00 C ATOM 1536 CG2 ILE A 100 8.632 4.609 4.281 1.00 0.00 C ATOM 1537 CD1 ILE A 100 7.845 7.710 4.883 1.00 0.00 C ATOM 0 H ILE A 100 5.295 5.647 6.216 1.00 0.00 H new ATOM 0 HA ILE A 100 5.877 4.119 4.026 1.00 0.00 H new ATOM 0 HB ILE A 100 7.756 5.386 6.063 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.107 6.456 3.324 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.976 6.712 4.637 1.00 0.00 H new ATOM 0 HG21 ILE A 100 9.459 5.319 4.286 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.945 3.684 4.766 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.340 4.399 3.252 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.489 8.619 4.399 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.744 7.811 5.964 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.893 7.551 4.630 1.00 0.00 H new ATOM 1549 N THR A 101 6.723 2.640 6.829 1.00 0.00 N ATOM 1550 CA THR A 101 7.165 1.381 7.415 1.00 0.00 C ATOM 1551 C THR A 101 6.199 0.250 7.081 1.00 0.00 C ATOM 1552 O THR A 101 6.619 -0.856 6.738 1.00 0.00 O ATOM 1553 CB THR A 101 7.299 1.490 8.946 1.00 0.00 C ATOM 1554 OG1 THR A 101 8.148 2.592 9.286 1.00 0.00 O ATOM 1555 CG2 THR A 101 7.866 0.206 9.532 1.00 0.00 C ATOM 0 H THR A 101 6.389 3.326 7.506 1.00 0.00 H new ATOM 0 HA THR A 101 8.142 1.159 6.987 1.00 0.00 H new ATOM 0 HB THR A 101 6.306 1.654 9.365 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.617 3.415 9.322 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.952 0.307 10.614 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.202 -0.626 9.296 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.851 0.016 9.106 1.00 0.00 H new ATOM 1563 N TYR A 102 4.906 0.532 7.182 1.00 0.00 N ATOM 1564 CA TYR A 102 3.881 -0.463 6.891 1.00 0.00 C ATOM 1565 C TYR A 102 3.871 -0.818 5.407 1.00 0.00 C ATOM 1566 O TYR A 102 4.129 -1.961 5.029 1.00 0.00 O ATOM 1567 CB TYR A 102 2.504 0.054 7.312 1.00 0.00 C ATOM 1568 CG TYR A 102 1.376 -0.903 7.000 1.00 0.00 C ATOM 1569 CD1 TYR A 102 1.334 -2.167 7.574 1.00 0.00 C ATOM 1570 CD2 TYR A 102 0.354 -0.543 6.130 1.00 0.00 C ATOM 1571 CE1 TYR A 102 0.305 -3.046 7.291 1.00 0.00 C ATOM 1572 CE2 TYR A 102 -0.679 -1.415 5.843 1.00 0.00 C ATOM 1573 CZ TYR A 102 -0.699 -2.664 6.426 1.00 0.00 C ATOM 1574 OH TYR A 102 -1.725 -3.536 6.141 1.00 0.00 O ATOM 0 H TYR A 102 4.542 1.442 7.463 1.00 0.00 H new ATOM 0 HA TYR A 102 4.114 -1.363 7.460 1.00 0.00 H new ATOM 0 HB2 TYR A 102 2.513 0.255 8.383 1.00 0.00 H new ATOM 0 HB3 TYR A 102 2.313 1.003 6.811 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.118 -2.468 8.253 1.00 0.00 H new ATOM 0 HD2 TYR A 102 0.367 0.434 5.671 1.00 0.00 H new ATOM 0 HE1 TYR A 102 0.288 -4.026 7.745 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.466 -1.119 5.166 1.00 0.00 H new ATOM 0 HH TYR A 102 -1.830 -3.611 5.170 1.00 0.00 H new ATOM 1584 N VAL A 103 3.573 0.171 4.571 1.00 0.00 N ATOM 1585 CA VAL A 103 3.531 -0.034 3.128 1.00 0.00 C ATOM 1586 C VAL A 103 4.798 -0.725 2.634 1.00 0.00 C ATOM 1587 O VAL A 103 4.771 -1.463 1.650 1.00 0.00 O ATOM 1588 CB VAL A 103 3.360 1.298 2.375 1.00 0.00 C ATOM 1589 CG1 VAL A 103 4.504 2.247 2.703 1.00 0.00 C ATOM 1590 CG2 VAL A 103 3.269 1.056 0.876 1.00 0.00 C ATOM 0 H VAL A 103 3.357 1.123 4.868 1.00 0.00 H new ATOM 0 HA VAL A 103 2.670 -0.670 2.925 1.00 0.00 H new ATOM 0 HB VAL A 103 2.429 1.763 2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.367 3.183 2.162 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.516 2.446 3.775 1.00 0.00 H new ATOM 0 HG13 VAL A 103 5.450 1.793 2.408 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.148 2.009 0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.181 0.569 0.530 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.413 0.417 0.662 1.00 0.00 H new ATOM 1600 N ALA A 104 5.906 -0.481 3.326 1.00 0.00 N ATOM 1601 CA ALA A 104 7.183 -1.081 2.960 1.00 0.00 C ATOM 1602 C ALA A 104 7.052 -2.592 2.797 1.00 0.00 C ATOM 1603 O ALA A 104 7.668 -3.187 1.912 1.00 0.00 O ATOM 1604 CB ALA A 104 8.240 -0.749 4.002 1.00 0.00 C ATOM 0 H ALA A 104 5.945 0.128 4.143 1.00 0.00 H new ATOM 0 HA ALA A 104 7.492 -0.664 2.001 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.188 -1.204 3.716 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.361 0.332 4.066 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.930 -1.138 4.972 1.00 0.00 H new ATOM 1610 N THR A 105 6.248 -3.208 3.658 1.00 0.00 N ATOM 1611 CA THR A 105 6.039 -4.650 3.611 1.00 0.00 C ATOM 1612 C THR A 105 5.398 -5.069 2.293 1.00 0.00 C ATOM 1613 O THR A 105 5.733 -6.114 1.733 1.00 0.00 O ATOM 1614 CB THR A 105 5.151 -5.126 4.776 1.00 0.00 C ATOM 1615 OG1 THR A 105 3.818 -4.628 4.612 1.00 0.00 O ATOM 1616 CG2 THR A 105 5.711 -4.659 6.110 1.00 0.00 C ATOM 0 H THR A 105 5.731 -2.731 4.396 1.00 0.00 H new ATOM 0 HA THR A 105 7.021 -5.116 3.698 1.00 0.00 H new ATOM 0 HB THR A 105 5.135 -6.216 4.769 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.834 -3.648 4.602 1.00 0.00 H new ATOM 0 HG21 THR A 105 5.067 -5.007 6.917 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.714 -5.064 6.246 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.755 -3.570 6.125 1.00 0.00 H new ATOM 1624 N TYR A 106 4.475 -4.250 1.802 1.00 0.00 N ATOM 1625 CA TYR A 106 3.785 -4.537 0.550 1.00 0.00 C ATOM 1626 C TYR A 106 4.780 -4.692 -0.597 1.00 0.00 C ATOM 1627 O TYR A 106 4.578 -5.497 -1.505 1.00 0.00 O ATOM 1628 CB TYR A 106 2.786 -3.426 0.227 1.00 0.00 C ATOM 1629 CG TYR A 106 1.509 -3.507 1.032 1.00 0.00 C ATOM 1630 CD1 TYR A 106 1.506 -4.038 2.316 1.00 0.00 C ATOM 1631 CD2 TYR A 106 0.304 -3.055 0.508 1.00 0.00 C ATOM 1632 CE1 TYR A 106 0.341 -4.115 3.055 1.00 0.00 C ATOM 1633 CE2 TYR A 106 -0.866 -3.127 1.240 1.00 0.00 C ATOM 1634 CZ TYR A 106 -0.841 -3.659 2.513 1.00 0.00 C ATOM 1635 OH TYR A 106 -2.005 -3.734 3.244 1.00 0.00 O ATOM 0 H TYR A 106 4.187 -3.381 2.252 1.00 0.00 H new ATOM 0 HA TYR A 106 3.246 -5.477 0.669 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.259 -2.460 0.407 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.540 -3.467 -0.834 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.430 -4.397 2.744 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.281 -2.640 -0.489 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.357 -4.530 4.052 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -1.794 -2.769 0.819 1.00 0.00 H new ATOM 0 HH TYR A 106 -2.746 -3.369 2.717 1.00 0.00 H new ATOM 1645 N TYR A 107 5.855 -3.913 -0.546 1.00 0.00 N ATOM 1646 CA TYR A 107 6.882 -3.960 -1.581 1.00 0.00 C ATOM 1647 C TYR A 107 7.787 -5.174 -1.395 1.00 0.00 C ATOM 1648 O TYR A 107 7.969 -5.974 -2.313 1.00 0.00 O ATOM 1649 CB TYR A 107 7.716 -2.679 -1.559 1.00 0.00 C ATOM 1650 CG TYR A 107 9.069 -2.826 -2.220 1.00 0.00 C ATOM 1651 CD1 TYR A 107 9.175 -3.066 -3.584 1.00 0.00 C ATOM 1652 CD2 TYR A 107 10.240 -2.722 -1.480 1.00 0.00 C ATOM 1653 CE1 TYR A 107 10.409 -3.203 -4.191 1.00 0.00 C ATOM 1654 CE2 TYR A 107 11.477 -2.856 -2.079 1.00 0.00 C ATOM 1655 CZ TYR A 107 11.556 -3.096 -3.435 1.00 0.00 C ATOM 1656 OH TYR A 107 12.787 -3.229 -4.036 1.00 0.00 O ATOM 0 H TYR A 107 6.038 -3.242 0.200 1.00 0.00 H new ATOM 0 HA TYR A 107 6.385 -4.045 -2.547 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.161 -1.885 -2.059 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.858 -2.366 -0.525 1.00 0.00 H new ATOM 0 HD1 TYR A 107 8.278 -3.147 -4.180 1.00 0.00 H new ATOM 0 HD2 TYR A 107 10.182 -2.533 -0.418 1.00 0.00 H new ATOM 0 HE1 TYR A 107 10.474 -3.393 -5.252 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.378 -2.773 -1.489 1.00 0.00 H new ATOM 0 HH TYR A 107 13.492 -3.126 -3.363 1.00 0.00 H new ATOM 1666 N HIS A 108 8.354 -5.303 -0.199 1.00 0.00 N ATOM 1667 CA HIS A 108 9.240 -6.420 0.110 1.00 0.00 C ATOM 1668 C HIS A 108 8.530 -7.753 -0.104 1.00 0.00 C ATOM 1669 O HIS A 108 8.958 -8.573 -0.916 1.00 0.00 O ATOM 1670 CB HIS A 108 9.738 -6.320 1.552 1.00 0.00 C ATOM 1671 CG HIS A 108 10.811 -5.292 1.745 1.00 0.00 C ATOM 1672 ND1 HIS A 108 11.962 -5.256 0.987 1.00 0.00 N ATOM 1673 CD2 HIS A 108 10.902 -4.261 2.616 1.00 0.00 C ATOM 1674 CE1 HIS A 108 12.715 -4.246 1.384 1.00 0.00 C ATOM 1675 NE2 HIS A 108 12.095 -3.626 2.372 1.00 0.00 N ATOM 0 H HIS A 108 8.216 -4.649 0.571 1.00 0.00 H new ATOM 0 HA HIS A 108 10.094 -6.371 -0.566 1.00 0.00 H new ATOM 0 HB2 HIS A 108 8.897 -6.082 2.203 1.00 0.00 H new ATOM 0 HB3 HIS A 108 10.117 -7.293 1.865 1.00 0.00 H new ATOM 0 HD2 HIS A 108 10.172 -3.988 3.364 1.00 0.00 H new ATOM 0 HE1 HIS A 108 13.675 -3.973 0.971 1.00 0.00 H new ATOM 0 HE2 HIS A 108 12.445 -2.809 2.872 1.00 0.00 H new ATOM 1684 N TYR A 109 7.443 -7.964 0.631 1.00 0.00 N ATOM 1685 CA TYR A 109 6.675 -9.198 0.524 1.00 0.00 C ATOM 1686 C TYR A 109 6.560 -9.645 -0.930 1.00 0.00 C ATOM 1687 O TYR A 109 7.080 -10.693 -1.313 1.00 0.00 O ATOM 1688 CB TYR A 109 5.280 -9.009 1.123 1.00 0.00 C ATOM 1689 CG TYR A 109 4.317 -10.122 0.777 1.00 0.00 C ATOM 1690 CD1 TYR A 109 3.615 -10.111 -0.422 1.00 0.00 C ATOM 1691 CD2 TYR A 109 4.108 -11.184 1.649 1.00 0.00 C ATOM 1692 CE1 TYR A 109 2.733 -11.126 -0.743 1.00 0.00 C ATOM 1693 CE2 TYR A 109 3.230 -12.203 1.336 1.00 0.00 C ATOM 1694 CZ TYR A 109 2.545 -12.170 0.140 1.00 0.00 C ATOM 1695 OH TYR A 109 1.668 -13.182 -0.175 1.00 0.00 O ATOM 0 H TYR A 109 7.074 -7.296 1.307 1.00 0.00 H new ATOM 0 HA TYR A 109 7.201 -9.972 1.082 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.366 -8.938 2.207 1.00 0.00 H new ATOM 0 HB3 TYR A 109 4.869 -8.062 0.773 1.00 0.00 H new ATOM 0 HD1 TYR A 109 3.761 -9.296 -1.115 1.00 0.00 H new ATOM 0 HD2 TYR A 109 4.641 -11.213 2.588 1.00 0.00 H new ATOM 0 HE1 TYR A 109 2.194 -11.102 -1.679 1.00 0.00 H new ATOM 0 HE2 TYR A 109 3.081 -13.022 2.025 1.00 0.00 H new ATOM 0 HH TYR A 109 1.652 -13.839 0.552 1.00 0.00 H new ATOM 1705 N PHE A 110 5.877 -8.840 -1.737 1.00 0.00 N ATOM 1706 CA PHE A 110 5.693 -9.150 -3.150 1.00 0.00 C ATOM 1707 C PHE A 110 7.038 -9.343 -3.844 1.00 0.00 C ATOM 1708 O PHE A 110 7.186 -10.214 -4.702 1.00 0.00 O ATOM 1709 CB PHE A 110 4.905 -8.034 -3.840 1.00 0.00 C ATOM 1710 CG PHE A 110 3.420 -8.261 -3.841 1.00 0.00 C ATOM 1711 CD1 PHE A 110 2.867 -9.309 -4.558 1.00 0.00 C ATOM 1712 CD2 PHE A 110 2.578 -7.425 -3.125 1.00 0.00 C ATOM 1713 CE1 PHE A 110 1.501 -9.519 -4.561 1.00 0.00 C ATOM 1714 CE2 PHE A 110 1.212 -7.631 -3.123 1.00 0.00 C ATOM 1715 CZ PHE A 110 0.672 -8.679 -3.841 1.00 0.00 C ATOM 0 H PHE A 110 5.442 -7.968 -1.437 1.00 0.00 H new ATOM 0 HA PHE A 110 5.130 -10.081 -3.222 1.00 0.00 H new ATOM 0 HB2 PHE A 110 5.120 -7.088 -3.343 1.00 0.00 H new ATOM 0 HB3 PHE A 110 5.251 -7.939 -4.869 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.510 -9.969 -5.121 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.995 -6.603 -2.562 1.00 0.00 H new ATOM 0 HE1 PHE A 110 1.081 -10.339 -5.125 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.567 -6.973 -2.560 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.396 -8.842 -3.840 1.00 0.00 H new ATOM 1725 N SER A 111 8.014 -8.524 -3.468 1.00 0.00 N ATOM 1726 CA SER A 111 9.346 -8.601 -4.057 1.00 0.00 C ATOM 1727 C SER A 111 9.796 -10.052 -4.197 1.00 0.00 C ATOM 1728 O SER A 111 10.301 -10.460 -5.243 1.00 0.00 O ATOM 1729 CB SER A 111 10.350 -7.825 -3.202 1.00 0.00 C ATOM 1730 OG SER A 111 11.494 -7.466 -3.958 1.00 0.00 O ATOM 0 H SER A 111 7.908 -7.799 -2.758 1.00 0.00 H new ATOM 0 HA SER A 111 9.303 -8.155 -5.051 1.00 0.00 H new ATOM 0 HB2 SER A 111 9.877 -6.927 -2.805 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.650 -8.432 -2.348 1.00 0.00 H new ATOM 0 HG SER A 111 12.119 -6.970 -3.390 1.00 0.00 H new ATOM 1736 N LYS A 112 9.606 -10.829 -3.135 1.00 0.00 N ATOM 1737 CA LYS A 112 9.990 -12.235 -3.137 1.00 0.00 C ATOM 1738 C LYS A 112 9.737 -12.866 -4.503 1.00 0.00 C ATOM 1739 O LYS A 112 10.552 -13.645 -4.997 1.00 0.00 O ATOM 1740 CB LYS A 112 9.214 -12.998 -2.060 1.00 0.00 C ATOM 1741 CG LYS A 112 9.407 -12.438 -0.661 1.00 0.00 C ATOM 1742 CD LYS A 112 10.569 -13.108 0.053 1.00 0.00 C ATOM 1743 CE LYS A 112 11.869 -12.349 -0.165 1.00 0.00 C ATOM 1744 NZ LYS A 112 12.076 -11.297 0.869 1.00 0.00 N ATOM 0 H LYS A 112 9.188 -10.508 -2.262 1.00 0.00 H new ATOM 0 HA LYS A 112 11.056 -12.295 -2.920 1.00 0.00 H new ATOM 0 HB2 LYS A 112 8.152 -12.979 -2.307 1.00 0.00 H new ATOM 0 HB3 LYS A 112 9.525 -14.043 -2.071 1.00 0.00 H new ATOM 0 HG2 LYS A 112 9.585 -11.364 -0.719 1.00 0.00 H new ATOM 0 HG3 LYS A 112 8.494 -12.579 -0.083 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.356 -13.168 1.120 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.678 -14.131 -0.308 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.705 -13.048 -0.145 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.860 -11.890 -1.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.972 -10.802 0.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.291 -10.616 0.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 12.110 -11.737 1.811 1.00 0.00 H new