USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=28 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 180:sc= -0.168 USER MOD Set 1.2: A 106 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 30 ASN :FLIP amide:sc= 1.21 F(o=-1.7,f=2.7) USER MOD Set 2.2: A 33 THR OG1 : rot -8:sc= 0.773 USER MOD Set 2.3: A 34 SER OG : rot 55:sc= 0.688 USER MOD Set 3.1: A 23 TYR OH : rot -60:sc= 0.668 USER MOD Set 3.2: A 46 HIS : no HD1:sc= -4.16! C(o=-3.5!,f=-5.2!) USER MOD Single : A 16 CYS SG : rot 174:sc= -1.2! USER MOD Single : A 17 GLN : amide:sc= -0.686! K(o=-0.69!,f=-1.5) USER MOD Single : A 18 MET CE :methyl -174:sc= 0 (180deg=-0.0384) USER MOD Single : A 19 LYS NZ :NH3+ -123:sc= 1.81 (180deg=0.398) USER MOD Single : A 20 THR OG1 : rot -93:sc= 1.15 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 29 HIS : no HD1:sc= -0.518 X(o=-0.52,f=-0.021) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.199 USER MOD Single : A 42 ASN : amide:sc= -2.89! C(o=-2.9!,f=-7!) USER MOD Single : A 47 LYS NZ :NH3+ -146:sc= 0.0728 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= -7.96! C(o=-8!,f=-7.7!) 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+ -172:sc= 0 (180deg=-0.0262) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 ASN :FLIP amide:sc= -0.34 F(o=-3.6!,f=-0.34) USER MOD Single : A 64 HIS : no HD1:sc= -0.0984 K(o=-0.098,f=-1.1) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -2.86! C(o=-2.9!,f=-3.9!) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 69 ASN :FLIP amide:sc= -0.0555 F(o=-0.63,f=-0.056) USER MOD Single : A 72 ASN :FLIP amide:sc= -2.36 F(o=-3!,f=-2.4) USER MOD Single : A 76 LYS NZ :NH3+ 161:sc= -0.0454 (180deg=-0.305) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.417 K(o=-0.42,f=-3.4!) USER MOD Single : A 93 GLN : amide:sc= -0.0829 K(o=-0.083,f=-1.7!) 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 90:sc= 1.26 USER MOD Single : A 105 THR OG1 : rot -77:sc= 0.832 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) 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 12.651 7.048 -0.912 1.00 0.00 N ATOM 99 CA ASP A 10 12.421 7.369 -2.316 1.00 0.00 C ATOM 100 C ASP A 10 12.109 6.109 -3.117 1.00 0.00 C ATOM 101 O ASP A 10 11.037 5.987 -3.708 1.00 0.00 O ATOM 102 CB ASP A 10 13.642 8.075 -2.907 1.00 0.00 C ATOM 103 CG ASP A 10 14.944 7.574 -2.316 1.00 0.00 C ATOM 104 OD1 ASP A 10 15.307 8.027 -1.211 1.00 0.00 O ATOM 105 OD2 ASP A 10 15.601 6.727 -2.959 1.00 0.00 O ATOM 0 HA ASP A 10 11.562 8.037 -2.374 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.656 7.927 -3.987 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.557 9.148 -2.733 1.00 0.00 H new ATOM 110 N ALA A 11 13.055 5.176 -3.133 1.00 0.00 N ATOM 111 CA ALA A 11 12.882 3.925 -3.862 1.00 0.00 C ATOM 112 C ALA A 11 11.449 3.414 -3.742 1.00 0.00 C ATOM 113 O ALA A 11 10.878 2.907 -4.707 1.00 0.00 O ATOM 114 CB ALA A 11 13.861 2.877 -3.353 1.00 0.00 C ATOM 0 H ALA A 11 13.949 5.262 -2.650 1.00 0.00 H new ATOM 0 HA ALA A 11 13.086 4.116 -4.916 1.00 0.00 H new ATOM 0 HB1 ALA A 11 13.720 1.948 -3.906 1.00 0.00 H new ATOM 0 HB2 ALA A 11 14.881 3.233 -3.495 1.00 0.00 H new ATOM 0 HB3 ALA A 11 13.683 2.698 -2.293 1.00 0.00 H new ATOM 120 N LEU A 12 10.874 3.552 -2.552 1.00 0.00 N ATOM 121 CA LEU A 12 9.508 3.104 -2.306 1.00 0.00 C ATOM 122 C LEU A 12 8.502 4.023 -2.991 1.00 0.00 C ATOM 123 O LEU A 12 7.703 3.580 -3.817 1.00 0.00 O ATOM 124 CB LEU A 12 9.229 3.054 -0.803 1.00 0.00 C ATOM 125 CG LEU A 12 7.902 2.419 -0.386 1.00 0.00 C ATOM 126 CD1 LEU A 12 7.904 0.931 -0.695 1.00 0.00 C ATOM 127 CD2 LEU A 12 7.638 2.660 1.093 1.00 0.00 C ATOM 0 H LEU A 12 11.333 3.971 -1.743 1.00 0.00 H new ATOM 0 HA LEU A 12 9.400 2.103 -2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.038 2.505 -0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.259 4.072 -0.414 1.00 0.00 H new ATOM 0 HG LEU A 12 7.100 2.886 -0.958 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.952 0.495 -0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.047 0.782 -1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.715 0.447 -0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.690 2.201 1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.442 2.219 1.683 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.593 3.732 1.285 1.00 0.00 H new ATOM 139 N LEU A 13 8.547 5.304 -2.644 1.00 0.00 N ATOM 140 CA LEU A 13 7.640 6.287 -3.227 1.00 0.00 C ATOM 141 C LEU A 13 7.462 6.043 -4.721 1.00 0.00 C ATOM 142 O LEU A 13 6.342 6.051 -5.233 1.00 0.00 O ATOM 143 CB LEU A 13 8.171 7.702 -2.989 1.00 0.00 C ATOM 144 CG LEU A 13 7.290 8.843 -3.500 1.00 0.00 C ATOM 145 CD1 LEU A 13 6.078 9.027 -2.598 1.00 0.00 C ATOM 146 CD2 LEU A 13 8.090 10.135 -3.592 1.00 0.00 C ATOM 0 H LEU A 13 9.202 5.687 -1.962 1.00 0.00 H new ATOM 0 HA LEU A 13 6.669 6.183 -2.743 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.321 7.837 -1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.150 7.786 -3.461 1.00 0.00 H new ATOM 0 HG LEU A 13 6.938 8.585 -4.499 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.463 9.843 -2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.492 8.108 -2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.410 9.262 -1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.447 10.936 -3.957 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.472 10.398 -2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.925 9.998 -4.279 1.00 0.00 H new ATOM 158 N LEU A 14 8.573 5.826 -5.417 1.00 0.00 N ATOM 159 CA LEU A 14 8.538 5.576 -6.854 1.00 0.00 C ATOM 160 C LEU A 14 7.803 4.277 -7.165 1.00 0.00 C ATOM 161 O LEU A 14 7.007 4.211 -8.102 1.00 0.00 O ATOM 162 CB LEU A 14 9.961 5.517 -7.415 1.00 0.00 C ATOM 163 CG LEU A 14 10.090 5.073 -8.873 1.00 0.00 C ATOM 164 CD1 LEU A 14 9.481 6.112 -9.802 1.00 0.00 C ATOM 165 CD2 LEU A 14 11.548 4.826 -9.228 1.00 0.00 C ATOM 0 H LEU A 14 9.508 5.818 -5.010 1.00 0.00 H new ATOM 0 HA LEU A 14 8.000 6.397 -7.327 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.410 6.505 -7.316 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.546 4.837 -6.796 1.00 0.00 H new ATOM 0 HG LEU A 14 9.544 4.138 -8.999 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.582 5.780 -10.835 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.425 6.239 -9.563 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.999 7.062 -9.674 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.621 4.511 -10.269 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.118 5.744 -9.086 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.952 4.045 -8.584 1.00 0.00 H new ATOM 177 N TRP A 15 8.073 3.247 -6.371 1.00 0.00 N ATOM 178 CA TRP A 15 7.434 1.949 -6.560 1.00 0.00 C ATOM 179 C TRP A 15 5.920 2.097 -6.664 1.00 0.00 C ATOM 180 O TRP A 15 5.324 1.765 -7.690 1.00 0.00 O ATOM 181 CB TRP A 15 7.789 1.010 -5.406 1.00 0.00 C ATOM 182 CG TRP A 15 7.372 -0.410 -5.646 1.00 0.00 C ATOM 183 CD1 TRP A 15 8.010 -1.331 -6.427 1.00 0.00 C ATOM 184 CD2 TRP A 15 6.224 -1.069 -5.101 1.00 0.00 C ATOM 185 NE1 TRP A 15 7.327 -2.523 -6.401 1.00 0.00 N ATOM 186 CE2 TRP A 15 6.229 -2.388 -5.595 1.00 0.00 C ATOM 187 CE3 TRP A 15 5.193 -0.674 -4.244 1.00 0.00 C ATOM 188 CZ2 TRP A 15 5.242 -3.312 -5.258 1.00 0.00 C ATOM 189 CZ3 TRP A 15 4.215 -1.592 -3.912 1.00 0.00 C ATOM 190 CH2 TRP A 15 4.245 -2.898 -4.418 1.00 0.00 C ATOM 0 H TRP A 15 8.729 3.285 -5.591 1.00 0.00 H new ATOM 0 HA TRP A 15 7.803 1.523 -7.493 1.00 0.00 H new ATOM 0 HB2 TRP A 15 8.866 1.042 -5.239 1.00 0.00 H new ATOM 0 HB3 TRP A 15 7.314 1.371 -4.494 1.00 0.00 H new ATOM 0 HD1 TRP A 15 8.918 -1.149 -6.983 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.595 -3.371 -6.901 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.161 0.330 -3.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 5.263 -4.320 -5.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 3.413 -1.297 -3.251 1.00 0.00 H new ATOM 0 HH2 TRP A 15 3.466 -3.592 -4.139 1.00 0.00 H new ATOM 201 N CYS A 16 5.304 2.597 -5.599 1.00 0.00 N ATOM 202 CA CYS A 16 3.859 2.788 -5.571 1.00 0.00 C ATOM 203 C CYS A 16 3.400 3.636 -6.753 1.00 0.00 C ATOM 204 O CYS A 16 2.372 3.353 -7.369 1.00 0.00 O ATOM 205 CB CYS A 16 3.437 3.451 -4.258 1.00 0.00 C ATOM 206 SG CYS A 16 1.760 3.032 -3.726 1.00 0.00 S ATOM 0 H CYS A 16 5.783 2.878 -4.743 1.00 0.00 H new ATOM 0 HA CYS A 16 3.386 1.809 -5.644 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.138 3.161 -3.475 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.512 4.533 -4.369 1.00 0.00 H new ATOM 0 HG CYS A 16 1.542 3.529 -2.545 1.00 0.00 H new ATOM 212 N GLN A 17 4.167 4.676 -7.062 1.00 0.00 N ATOM 213 CA GLN A 17 3.836 5.566 -8.168 1.00 0.00 C ATOM 214 C GLN A 17 3.807 4.804 -9.489 1.00 0.00 C ATOM 215 O GLN A 17 3.028 5.129 -10.386 1.00 0.00 O ATOM 216 CB GLN A 17 4.848 6.710 -8.250 1.00 0.00 C ATOM 217 CG GLN A 17 4.603 7.813 -7.233 1.00 0.00 C ATOM 218 CD GLN A 17 5.473 9.030 -7.469 1.00 0.00 C ATOM 219 OE1 GLN A 17 6.578 8.924 -8.003 1.00 0.00 O ATOM 220 NE2 GLN A 17 4.979 10.199 -7.075 1.00 0.00 N ATOM 0 H GLN A 17 5.021 4.923 -6.562 1.00 0.00 H new ATOM 0 HA GLN A 17 2.844 5.979 -7.984 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.851 6.308 -8.103 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.819 7.138 -9.252 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.554 8.109 -7.269 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.791 7.426 -6.231 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.059 10.242 -6.637 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.520 11.053 -7.211 1.00 0.00 H new ATOM 229 N MET A 18 4.659 3.790 -9.602 1.00 0.00 N ATOM 230 CA MET A 18 4.727 2.982 -10.813 1.00 0.00 C ATOM 231 C MET A 18 3.546 2.020 -10.895 1.00 0.00 C ATOM 232 O MET A 18 2.880 1.925 -11.925 1.00 0.00 O ATOM 233 CB MET A 18 6.041 2.198 -10.855 1.00 0.00 C ATOM 234 CG MET A 18 7.247 3.052 -11.209 1.00 0.00 C ATOM 235 SD MET A 18 8.530 2.121 -12.069 1.00 0.00 S ATOM 236 CE MET A 18 8.972 0.917 -10.817 1.00 0.00 C ATOM 0 H MET A 18 5.311 3.509 -8.870 1.00 0.00 H new ATOM 0 HA MET A 18 4.684 3.654 -11.670 1.00 0.00 H new ATOM 0 HB2 MET A 18 6.208 1.733 -9.884 1.00 0.00 H new ATOM 0 HB3 MET A 18 5.951 1.392 -11.583 1.00 0.00 H new ATOM 0 HG2 MET A 18 6.926 3.885 -11.835 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.664 3.481 -10.298 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.828 0.335 -11.158 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.229 1.432 -9.891 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.128 0.251 -10.639 1.00 0.00 H new ATOM 246 N LYS A 19 3.291 1.311 -9.801 1.00 0.00 N ATOM 247 CA LYS A 19 2.189 0.357 -9.746 1.00 0.00 C ATOM 248 C LYS A 19 0.847 1.067 -9.899 1.00 0.00 C ATOM 249 O LYS A 19 0.037 0.711 -10.756 1.00 0.00 O ATOM 250 CB LYS A 19 2.221 -0.417 -8.427 1.00 0.00 C ATOM 251 CG LYS A 19 3.587 -0.987 -8.090 1.00 0.00 C ATOM 252 CD LYS A 19 4.187 -1.732 -9.271 1.00 0.00 C ATOM 253 CE LYS A 19 5.487 -2.425 -8.891 1.00 0.00 C ATOM 254 NZ LYS A 19 5.243 -3.728 -8.213 1.00 0.00 N ATOM 0 H LYS A 19 3.833 1.379 -8.939 1.00 0.00 H new ATOM 0 HA LYS A 19 2.307 -0.343 -10.573 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.903 0.243 -7.620 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.499 -1.232 -8.476 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.255 -0.180 -7.790 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.501 -1.662 -7.239 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.474 -2.470 -9.637 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.371 -1.034 -10.088 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.087 -2.588 -9.786 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.066 -1.776 -8.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.703 -3.725 -7.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.220 -3.871 -8.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.636 -4.499 -8.790 1.00 0.00 H new ATOM 268 N THR A 20 0.618 2.076 -9.064 1.00 0.00 N ATOM 269 CA THR A 20 -0.625 2.837 -9.106 1.00 0.00 C ATOM 270 C THR A 20 -0.800 3.530 -10.453 1.00 0.00 C ATOM 271 O THR A 20 -1.903 3.941 -10.810 1.00 0.00 O ATOM 272 CB THR A 20 -0.674 3.894 -7.988 1.00 0.00 C ATOM 273 OG1 THR A 20 0.454 4.769 -8.089 1.00 0.00 O ATOM 274 CG2 THR A 20 -0.688 3.232 -6.618 1.00 0.00 C ATOM 0 H THR A 20 1.278 2.385 -8.350 1.00 0.00 H new ATOM 0 HA THR A 20 -1.437 2.125 -8.958 1.00 0.00 H new ATOM 0 HB THR A 20 -1.591 4.471 -8.105 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.182 4.431 -7.526 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.723 3.999 -5.844 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.565 2.590 -6.533 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.214 2.632 -6.494 1.00 0.00 H new ATOM 282 N ALA A 21 0.295 3.654 -11.196 1.00 0.00 N ATOM 283 CA ALA A 21 0.262 4.294 -12.505 1.00 0.00 C ATOM 284 C ALA A 21 -0.946 3.828 -13.313 1.00 0.00 C ATOM 285 O ALA A 21 -1.215 2.632 -13.411 1.00 0.00 O ATOM 286 CB ALA A 21 1.549 4.010 -13.265 1.00 0.00 C ATOM 0 H ALA A 21 1.216 3.319 -10.913 1.00 0.00 H new ATOM 0 HA ALA A 21 0.173 5.370 -12.354 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.510 4.494 -14.241 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.398 4.398 -12.701 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.663 2.934 -13.398 1.00 0.00 H new ATOM 292 N GLY A 22 -1.670 4.783 -13.890 1.00 0.00 N ATOM 293 CA GLY A 22 -2.840 4.450 -14.681 1.00 0.00 C ATOM 294 C GLY A 22 -4.124 4.966 -14.063 1.00 0.00 C ATOM 295 O GLY A 22 -4.977 5.520 -14.757 1.00 0.00 O ATOM 0 H GLY A 22 -1.467 5.780 -13.824 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.729 4.867 -15.682 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.903 3.368 -14.792 1.00 0.00 H new ATOM 299 N TYR A 23 -4.263 4.783 -12.754 1.00 0.00 N ATOM 300 CA TYR A 23 -5.455 5.230 -12.044 1.00 0.00 C ATOM 301 C TYR A 23 -5.459 6.748 -11.889 1.00 0.00 C ATOM 302 O TYR A 23 -4.566 7.338 -11.281 1.00 0.00 O ATOM 303 CB TYR A 23 -5.533 4.567 -10.667 1.00 0.00 C ATOM 304 CG TYR A 23 -5.527 3.055 -10.723 1.00 0.00 C ATOM 305 CD1 TYR A 23 -6.610 2.355 -11.241 1.00 0.00 C ATOM 306 CD2 TYR A 23 -4.438 2.328 -10.259 1.00 0.00 C ATOM 307 CE1 TYR A 23 -6.609 0.975 -11.293 1.00 0.00 C ATOM 308 CE2 TYR A 23 -4.429 0.948 -10.309 1.00 0.00 C ATOM 309 CZ TYR A 23 -5.516 0.276 -10.826 1.00 0.00 C ATOM 310 OH TYR A 23 -5.510 -1.099 -10.877 1.00 0.00 O ATOM 0 H TYR A 23 -3.566 4.329 -12.164 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.326 4.939 -12.631 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.691 4.903 -10.062 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.440 4.900 -10.163 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.467 2.899 -11.609 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -3.585 2.850 -9.853 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.460 0.446 -11.697 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.574 0.398 -9.945 1.00 0.00 H new ATOM 0 HH TYR A 23 -6.261 -1.449 -10.354 1.00 0.00 H new ATOM 320 N PRO A 24 -6.490 7.397 -12.451 1.00 0.00 N ATOM 321 CA PRO A 24 -6.638 8.854 -12.388 1.00 0.00 C ATOM 322 C PRO A 24 -6.969 9.344 -10.982 1.00 0.00 C ATOM 323 O PRO A 24 -6.572 10.439 -10.587 1.00 0.00 O ATOM 324 CB PRO A 24 -7.803 9.134 -13.340 1.00 0.00 C ATOM 325 CG PRO A 24 -8.590 7.869 -13.358 1.00 0.00 C ATOM 326 CD PRO A 24 -7.591 6.757 -13.190 1.00 0.00 C ATOM 0 HA PRO A 24 -5.716 9.369 -12.658 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -8.407 9.971 -12.991 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.446 9.393 -14.337 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.327 7.856 -12.555 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.138 7.763 -14.295 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.013 5.918 -12.636 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.257 6.368 -14.152 1.00 0.00 H new ATOM 334 N ASN A 25 -7.699 8.524 -10.233 1.00 0.00 N ATOM 335 CA ASN A 25 -8.084 8.875 -8.870 1.00 0.00 C ATOM 336 C ASN A 25 -7.010 8.448 -7.874 1.00 0.00 C ATOM 337 O ASN A 25 -7.269 8.327 -6.677 1.00 0.00 O ATOM 338 CB ASN A 25 -9.418 8.217 -8.510 1.00 0.00 C ATOM 339 CG ASN A 25 -10.571 8.764 -9.329 1.00 0.00 C ATOM 340 OD1 ASN A 25 -10.781 9.975 -9.396 1.00 0.00 O ATOM 341 ND2 ASN A 25 -11.325 7.871 -9.959 1.00 0.00 N ATOM 0 H ASN A 25 -8.036 7.613 -10.546 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.194 9.958 -8.818 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.343 7.141 -8.666 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.622 8.372 -7.451 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.115 8.180 -10.526 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.115 6.876 -9.876 1.00 0.00 H new ATOM 348 N VAL A 26 -5.800 8.222 -8.378 1.00 0.00 N ATOM 349 CA VAL A 26 -4.684 7.810 -7.533 1.00 0.00 C ATOM 350 C VAL A 26 -3.448 8.658 -7.806 1.00 0.00 C ATOM 351 O VAL A 26 -3.250 9.147 -8.917 1.00 0.00 O ATOM 352 CB VAL A 26 -4.335 6.326 -7.749 1.00 0.00 C ATOM 353 CG1 VAL A 26 -3.230 5.894 -6.798 1.00 0.00 C ATOM 354 CG2 VAL A 26 -5.570 5.457 -7.575 1.00 0.00 C ATOM 0 H VAL A 26 -5.568 8.317 -9.367 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.998 7.954 -6.499 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.973 6.201 -8.769 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.997 4.842 -6.965 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.339 6.496 -6.977 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.561 6.033 -5.769 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.304 4.412 -7.731 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.965 5.584 -6.567 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.327 5.751 -8.302 1.00 0.00 H new ATOM 364 N ASN A 27 -2.617 8.829 -6.782 1.00 0.00 N ATOM 365 CA ASN A 27 -1.398 9.619 -6.911 1.00 0.00 C ATOM 366 C ASN A 27 -0.529 9.485 -5.664 1.00 0.00 C ATOM 367 O ASN A 27 -0.905 9.935 -4.581 1.00 0.00 O ATOM 368 CB ASN A 27 -1.741 11.089 -7.153 1.00 0.00 C ATOM 369 CG ASN A 27 -0.689 11.800 -7.983 1.00 0.00 C ATOM 370 OD1 ASN A 27 0.135 12.547 -7.455 1.00 0.00 O ATOM 371 ND2 ASN A 27 -0.714 11.571 -9.291 1.00 0.00 N ATOM 0 H ASN A 27 -2.766 8.431 -5.855 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.837 9.240 -7.765 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.705 11.156 -7.658 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.848 11.597 -6.194 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -0.032 12.022 -9.901 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.415 10.944 -9.686 1.00 0.00 H new ATOM 378 N VAL A 28 0.635 8.865 -5.823 1.00 0.00 N ATOM 379 CA VAL A 28 1.559 8.673 -4.711 1.00 0.00 C ATOM 380 C VAL A 28 2.647 9.742 -4.710 1.00 0.00 C ATOM 381 O VAL A 28 3.805 9.464 -5.022 1.00 0.00 O ATOM 382 CB VAL A 28 2.220 7.283 -4.763 1.00 0.00 C ATOM 383 CG1 VAL A 28 3.135 7.082 -3.565 1.00 0.00 C ATOM 384 CG2 VAL A 28 1.161 6.193 -4.825 1.00 0.00 C ATOM 0 H VAL A 28 0.962 8.486 -6.712 1.00 0.00 H new ATOM 0 HA VAL A 28 0.973 8.754 -3.795 1.00 0.00 H new ATOM 0 HB VAL A 28 2.826 7.221 -5.667 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.593 6.094 -3.619 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.914 7.844 -3.570 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.554 7.163 -2.646 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.645 5.217 -4.861 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.527 6.251 -3.940 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.551 6.329 -5.718 1.00 0.00 H new ATOM 394 N HIS A 29 2.266 10.966 -4.358 1.00 0.00 N ATOM 395 CA HIS A 29 3.211 12.077 -4.315 1.00 0.00 C ATOM 396 C HIS A 29 3.740 12.286 -2.899 1.00 0.00 C ATOM 397 O HIS A 29 4.812 12.857 -2.705 1.00 0.00 O ATOM 398 CB HIS A 29 2.545 13.359 -4.817 1.00 0.00 C ATOM 399 CG HIS A 29 3.512 14.470 -5.085 1.00 0.00 C ATOM 400 ND1 HIS A 29 3.845 14.888 -6.356 1.00 0.00 N ATOM 401 CD2 HIS A 29 4.218 15.253 -4.237 1.00 0.00 C ATOM 402 CE1 HIS A 29 4.716 15.878 -6.279 1.00 0.00 C ATOM 403 NE2 HIS A 29 4.958 16.121 -5.003 1.00 0.00 N ATOM 0 H HIS A 29 1.311 11.214 -4.099 1.00 0.00 H new ATOM 0 HA HIS A 29 4.051 11.833 -4.965 1.00 0.00 H new ATOM 0 HB2 HIS A 29 1.995 13.139 -5.732 1.00 0.00 H new ATOM 0 HB3 HIS A 29 1.816 13.693 -4.079 1.00 0.00 H new ATOM 0 HD2 HIS A 29 4.203 15.205 -3.158 1.00 0.00 H new ATOM 0 HE1 HIS A 29 5.155 16.400 -7.116 1.00 0.00 H new ATOM 0 HE2 HIS A 29 5.591 16.836 -4.645 1.00 0.00 H new ATOM 412 N ASN A 30 2.980 11.820 -1.914 1.00 0.00 N ATOM 413 CA ASN A 30 3.372 11.957 -0.516 1.00 0.00 C ATOM 414 C ASN A 30 3.094 10.671 0.256 1.00 0.00 C ATOM 415 O ASN A 30 2.582 9.698 -0.300 1.00 0.00 O ATOM 416 CB ASN A 30 2.628 13.126 0.132 1.00 0.00 C ATOM 417 CG ASN A 30 1.260 13.351 -0.482 1.00 0.00 C ATOM 418 OD1 ASN A 30 0.248 12.693 0.069 1.00 0.00 O flip ATOM 419 ND2 ASN A 30 1.116 14.109 -1.442 1.00 0.00 N flip ATOM 0 H ASN A 30 2.089 11.344 -2.058 1.00 0.00 H new ATOM 0 HA ASN A 30 4.443 12.154 -0.483 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.517 12.936 1.200 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.223 14.034 0.030 1.00 0.00 H new ATOM 0 HD21 ASN A 30 1.923 14.595 -1.834 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.190 14.251 -1.845 1.00 0.00 H new ATOM 426 N PHE A 31 3.433 10.673 1.541 1.00 0.00 N ATOM 427 CA PHE A 31 3.220 9.506 2.390 1.00 0.00 C ATOM 428 C PHE A 31 2.327 9.855 3.578 1.00 0.00 C ATOM 429 O PHE A 31 2.397 9.217 4.630 1.00 0.00 O ATOM 430 CB PHE A 31 4.559 8.959 2.887 1.00 0.00 C ATOM 431 CG PHE A 31 5.308 8.172 1.849 1.00 0.00 C ATOM 432 CD1 PHE A 31 4.797 6.977 1.366 1.00 0.00 C ATOM 433 CD2 PHE A 31 6.521 8.625 1.358 1.00 0.00 C ATOM 434 CE1 PHE A 31 5.483 6.250 0.412 1.00 0.00 C ATOM 435 CE2 PHE A 31 7.213 7.902 0.404 1.00 0.00 C ATOM 436 CZ PHE A 31 6.692 6.713 -0.070 1.00 0.00 C ATOM 0 H PHE A 31 3.856 11.469 2.017 1.00 0.00 H new ATOM 0 HA PHE A 31 2.722 8.740 1.795 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.181 9.790 3.220 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.383 8.324 3.756 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.852 6.610 1.740 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.931 9.554 1.725 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.074 5.321 0.044 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.159 8.266 0.030 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.229 6.147 -0.816 1.00 0.00 H new ATOM 446 N THR A 32 1.489 10.871 3.403 1.00 0.00 N ATOM 447 CA THR A 32 0.584 11.305 4.459 1.00 0.00 C ATOM 448 C THR A 32 -0.844 11.435 3.941 1.00 0.00 C ATOM 449 O THR A 32 -1.729 10.676 4.335 1.00 0.00 O ATOM 450 CB THR A 32 1.025 12.656 5.057 1.00 0.00 C ATOM 451 OG1 THR A 32 0.974 13.675 4.053 1.00 0.00 O ATOM 452 CG2 THR A 32 2.435 12.562 5.620 1.00 0.00 C ATOM 0 H THR A 32 1.418 11.409 2.539 1.00 0.00 H new ATOM 0 HA THR A 32 0.618 10.542 5.237 1.00 0.00 H new ATOM 0 HB THR A 32 0.343 12.911 5.868 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.254 14.530 4.441 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.725 13.526 6.037 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.464 11.805 6.403 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.127 12.287 4.824 1.00 0.00 H new ATOM 460 N THR A 33 -1.062 12.402 3.054 1.00 0.00 N ATOM 461 CA THR A 33 -2.382 12.631 2.482 1.00 0.00 C ATOM 462 C THR A 33 -2.594 11.786 1.232 1.00 0.00 C ATOM 463 O THR A 33 -3.549 11.995 0.484 1.00 0.00 O ATOM 464 CB THR A 33 -2.591 14.115 2.127 1.00 0.00 C ATOM 465 OG1 THR A 33 -1.667 14.508 1.106 1.00 0.00 O ATOM 466 CG2 THR A 33 -2.406 14.996 3.352 1.00 0.00 C ATOM 0 H THR A 33 -0.340 13.039 2.717 1.00 0.00 H new ATOM 0 HA THR A 33 -3.109 12.341 3.240 1.00 0.00 H new ATOM 0 HB THR A 33 -3.611 14.239 1.762 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.027 13.783 0.948 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.559 16.039 3.076 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.130 14.713 4.116 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.397 14.868 3.743 1.00 0.00 H new ATOM 474 N SER A 34 -1.699 10.828 1.011 1.00 0.00 N ATOM 475 CA SER A 34 -1.786 9.953 -0.152 1.00 0.00 C ATOM 476 C SER A 34 -2.452 8.630 0.214 1.00 0.00 C ATOM 477 O SER A 34 -3.014 7.948 -0.645 1.00 0.00 O ATOM 478 CB SER A 34 -0.392 9.693 -0.727 1.00 0.00 C ATOM 479 OG SER A 34 -0.065 10.647 -1.722 1.00 0.00 O ATOM 0 H SER A 34 -0.905 10.638 1.623 1.00 0.00 H new ATOM 0 HA SER A 34 -2.395 10.451 -0.906 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.347 9.729 0.073 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.352 8.690 -1.153 1.00 0.00 H new ATOM 0 HG SER A 34 -0.166 11.550 -1.355 1.00 0.00 H new ATOM 485 N TRP A 35 -2.387 8.275 1.492 1.00 0.00 N ATOM 486 CA TRP A 35 -2.984 7.033 1.971 1.00 0.00 C ATOM 487 C TRP A 35 -4.099 7.317 2.971 1.00 0.00 C ATOM 488 O TRP A 35 -4.836 6.413 3.366 1.00 0.00 O ATOM 489 CB TRP A 35 -1.918 6.146 2.615 1.00 0.00 C ATOM 490 CG TRP A 35 -0.634 6.104 1.842 1.00 0.00 C ATOM 491 CD1 TRP A 35 0.282 7.109 1.719 1.00 0.00 C ATOM 492 CD2 TRP A 35 -0.126 5.000 1.084 1.00 0.00 C ATOM 493 NE1 TRP A 35 1.329 6.697 0.930 1.00 0.00 N ATOM 494 CE2 TRP A 35 1.104 5.407 0.530 1.00 0.00 C ATOM 495 CE3 TRP A 35 -0.588 3.708 0.823 1.00 0.00 C ATOM 496 CZ2 TRP A 35 1.872 4.567 -0.272 1.00 0.00 C ATOM 497 CZ3 TRP A 35 0.175 2.876 0.027 1.00 0.00 C ATOM 498 CH2 TRP A 35 1.394 3.307 -0.513 1.00 0.00 C ATOM 0 H TRP A 35 -1.927 8.829 2.215 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.412 6.510 1.116 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.715 6.508 3.623 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.309 5.133 2.712 1.00 0.00 H new ATOM 0 HD1 TRP A 35 0.196 8.084 2.175 1.00 0.00 H new ATOM 0 HE1 TRP A 35 2.142 7.261 0.682 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.525 3.366 1.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.812 4.898 -0.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.174 1.876 -0.183 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.967 2.632 -1.131 1.00 0.00 H new ATOM 509 N ARG A 36 -4.218 8.577 3.377 1.00 0.00 N ATOM 510 CA ARG A 36 -5.243 8.978 4.333 1.00 0.00 C ATOM 511 C ARG A 36 -6.622 8.504 3.882 1.00 0.00 C ATOM 512 O ARG A 36 -7.466 8.148 4.704 1.00 0.00 O ATOM 513 CB ARG A 36 -5.245 10.498 4.503 1.00 0.00 C ATOM 514 CG ARG A 36 -6.418 11.019 5.318 1.00 0.00 C ATOM 515 CD ARG A 36 -6.684 12.489 5.036 1.00 0.00 C ATOM 516 NE ARG A 36 -8.086 12.842 5.246 1.00 0.00 N ATOM 517 CZ ARG A 36 -9.057 12.529 4.396 1.00 0.00 C ATOM 518 NH1 ARG A 36 -8.781 11.859 3.285 1.00 0.00 N ATOM 519 NH2 ARG A 36 -10.309 12.884 4.657 1.00 0.00 N ATOM 0 H ARG A 36 -3.617 9.337 3.059 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.013 8.512 5.291 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.316 10.802 4.984 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.262 10.965 3.518 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.310 10.436 5.087 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.214 10.882 6.380 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.055 13.102 5.682 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.403 12.718 4.008 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.332 13.357 6.091 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.821 11.583 3.081 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.529 11.620 2.634 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.526 13.398 5.511 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.054 12.643 4.003 1.00 0.00 H new ATOM 533 N ASP A 37 -6.842 8.503 2.572 1.00 0.00 N ATOM 534 CA ASP A 37 -8.117 8.073 2.011 1.00 0.00 C ATOM 535 C ASP A 37 -8.195 6.551 1.945 1.00 0.00 C ATOM 536 O ASP A 37 -9.251 5.962 2.173 1.00 0.00 O ATOM 537 CB ASP A 37 -8.312 8.668 0.616 1.00 0.00 C ATOM 538 CG ASP A 37 -9.770 8.708 0.202 1.00 0.00 C ATOM 539 OD1 ASP A 37 -10.630 8.936 1.078 1.00 0.00 O ATOM 540 OD2 ASP A 37 -10.050 8.511 -0.999 1.00 0.00 O ATOM 0 H ASP A 37 -6.153 8.795 1.879 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.913 8.432 2.664 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.904 9.678 0.595 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.748 8.081 -0.108 1.00 0.00 H new ATOM 545 N GLY A 38 -7.070 5.918 1.627 1.00 0.00 N ATOM 546 CA GLY A 38 -7.032 4.471 1.535 1.00 0.00 C ATOM 547 C GLY A 38 -6.878 3.985 0.108 1.00 0.00 C ATOM 548 O GLY A 38 -6.177 3.004 -0.151 1.00 0.00 O ATOM 0 H GLY A 38 -6.183 6.383 1.431 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.204 4.093 2.135 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.948 4.059 1.959 1.00 0.00 H new ATOM 552 N LEU A 39 -7.534 4.669 -0.823 1.00 0.00 N ATOM 553 CA LEU A 39 -7.468 4.300 -2.233 1.00 0.00 C ATOM 554 C LEU A 39 -6.086 3.764 -2.592 1.00 0.00 C ATOM 555 O LEU A 39 -5.961 2.701 -3.198 1.00 0.00 O ATOM 556 CB LEU A 39 -7.803 5.507 -3.112 1.00 0.00 C ATOM 557 CG LEU A 39 -9.290 5.819 -3.286 1.00 0.00 C ATOM 558 CD1 LEU A 39 -9.480 7.024 -4.193 1.00 0.00 C ATOM 559 CD2 LEU A 39 -10.027 4.609 -3.842 1.00 0.00 C ATOM 0 H LEU A 39 -8.118 5.482 -0.627 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.200 3.513 -2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.315 6.385 -2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.369 5.345 -4.098 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.709 6.057 -2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.544 7.231 -4.305 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.986 7.891 -3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.046 6.815 -5.171 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.084 4.849 -3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.606 4.340 -4.811 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.920 3.770 -3.154 1.00 0.00 H new ATOM 571 N ALA A 40 -5.051 4.506 -2.210 1.00 0.00 N ATOM 572 CA ALA A 40 -3.679 4.103 -2.488 1.00 0.00 C ATOM 573 C ALA A 40 -3.475 2.619 -2.204 1.00 0.00 C ATOM 574 O ALA A 40 -3.049 1.862 -3.077 1.00 0.00 O ATOM 575 CB ALA A 40 -2.708 4.938 -1.667 1.00 0.00 C ATOM 0 H ALA A 40 -5.138 5.389 -1.707 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.483 4.274 -3.547 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.686 4.626 -1.884 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.828 5.991 -1.922 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.913 4.796 -0.606 1.00 0.00 H new ATOM 581 N PHE A 41 -3.779 2.209 -0.978 1.00 0.00 N ATOM 582 CA PHE A 41 -3.628 0.814 -0.579 1.00 0.00 C ATOM 583 C PHE A 41 -4.499 -0.096 -1.439 1.00 0.00 C ATOM 584 O PHE A 41 -4.062 -1.161 -1.874 1.00 0.00 O ATOM 585 CB PHE A 41 -3.993 0.642 0.898 1.00 0.00 C ATOM 586 CG PHE A 41 -3.027 1.307 1.836 1.00 0.00 C ATOM 587 CD1 PHE A 41 -1.675 1.005 1.789 1.00 0.00 C ATOM 588 CD2 PHE A 41 -3.471 2.234 2.766 1.00 0.00 C ATOM 589 CE1 PHE A 41 -0.784 1.616 2.651 1.00 0.00 C ATOM 590 CE2 PHE A 41 -2.584 2.848 3.630 1.00 0.00 C ATOM 591 CZ PHE A 41 -1.238 2.537 3.573 1.00 0.00 C ATOM 0 H PHE A 41 -4.131 2.822 -0.243 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.585 0.532 -0.724 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -4.990 1.049 1.067 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.039 -0.422 1.131 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.314 0.284 1.071 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.522 2.479 2.816 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.267 1.373 2.603 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.942 3.570 4.349 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.543 3.014 4.249 1.00 0.00 H new ATOM 601 N ASN A 42 -5.734 0.332 -1.680 1.00 0.00 N ATOM 602 CA ASN A 42 -6.668 -0.445 -2.487 1.00 0.00 C ATOM 603 C ASN A 42 -6.263 -0.423 -3.959 1.00 0.00 C ATOM 604 O ASN A 42 -6.915 -1.039 -4.801 1.00 0.00 O ATOM 605 CB ASN A 42 -8.088 0.101 -2.330 1.00 0.00 C ATOM 606 CG ASN A 42 -8.627 -0.087 -0.925 1.00 0.00 C ATOM 607 OD1 ASN A 42 -8.754 -1.213 -0.444 1.00 0.00 O ATOM 608 ND2 ASN A 42 -8.946 1.017 -0.260 1.00 0.00 N ATOM 0 H ASN A 42 -6.111 1.212 -1.328 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.642 -1.476 -2.135 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.096 1.162 -2.581 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.747 -0.399 -3.039 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.313 0.952 0.689 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.824 1.930 -0.699 1.00 0.00 H new ATOM 615 N ALA A 43 -5.182 0.290 -4.259 1.00 0.00 N ATOM 616 CA ALA A 43 -4.689 0.391 -5.627 1.00 0.00 C ATOM 617 C ALA A 43 -3.538 -0.580 -5.868 1.00 0.00 C ATOM 618 O ALA A 43 -3.268 -0.968 -7.005 1.00 0.00 O ATOM 619 CB ALA A 43 -4.252 1.817 -5.927 1.00 0.00 C ATOM 0 H ALA A 43 -4.631 0.806 -3.573 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.503 0.124 -6.301 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.886 1.877 -6.952 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.100 2.491 -5.804 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.456 2.106 -5.240 1.00 0.00 H new ATOM 625 N ILE A 44 -2.861 -0.967 -4.792 1.00 0.00 N ATOM 626 CA ILE A 44 -1.739 -1.892 -4.888 1.00 0.00 C ATOM 627 C ILE A 44 -2.224 -3.332 -5.022 1.00 0.00 C ATOM 628 O ILE A 44 -1.852 -4.038 -5.959 1.00 0.00 O ATOM 629 CB ILE A 44 -0.817 -1.787 -3.659 1.00 0.00 C ATOM 630 CG1 ILE A 44 -0.427 -0.328 -3.411 1.00 0.00 C ATOM 631 CG2 ILE A 44 0.424 -2.646 -3.853 1.00 0.00 C ATOM 632 CD1 ILE A 44 0.419 -0.131 -2.171 1.00 0.00 C ATOM 0 H ILE A 44 -3.070 -0.654 -3.844 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.177 -1.615 -5.780 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.356 -2.154 -2.786 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.119 0.046 -4.277 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.333 0.272 -3.322 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.066 -2.561 -2.976 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.129 -3.687 -3.988 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.968 -2.306 -4.735 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.658 0.926 -2.058 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.133 -0.474 -1.296 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.342 -0.703 -2.265 1.00 0.00 H new ATOM 644 N VAL A 45 -3.059 -3.760 -4.080 1.00 0.00 N ATOM 645 CA VAL A 45 -3.598 -5.116 -4.095 1.00 0.00 C ATOM 646 C VAL A 45 -4.513 -5.330 -5.296 1.00 0.00 C ATOM 647 O VAL A 45 -4.734 -6.462 -5.727 1.00 0.00 O ATOM 648 CB VAL A 45 -4.381 -5.422 -2.805 1.00 0.00 C ATOM 649 CG1 VAL A 45 -4.910 -6.848 -2.828 1.00 0.00 C ATOM 650 CG2 VAL A 45 -3.507 -5.187 -1.583 1.00 0.00 C ATOM 0 H VAL A 45 -3.377 -3.188 -3.297 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.748 -5.795 -4.165 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.233 -4.745 -2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.461 -7.047 -1.909 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.573 -6.976 -3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.075 -7.544 -2.909 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.077 -5.408 -0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.634 -5.838 -1.630 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.183 -4.146 -1.562 1.00 0.00 H new ATOM 660 N HIS A 46 -5.041 -4.234 -5.833 1.00 0.00 N ATOM 661 CA HIS A 46 -5.932 -4.302 -6.986 1.00 0.00 C ATOM 662 C HIS A 46 -5.142 -4.532 -8.271 1.00 0.00 C ATOM 663 O HIS A 46 -5.598 -5.229 -9.177 1.00 0.00 O ATOM 664 CB HIS A 46 -6.752 -3.016 -7.100 1.00 0.00 C ATOM 665 CG HIS A 46 -7.829 -3.083 -8.138 1.00 0.00 C ATOM 666 ND1 HIS A 46 -7.861 -2.260 -9.244 1.00 0.00 N ATOM 667 CD2 HIS A 46 -8.918 -3.883 -8.235 1.00 0.00 C ATOM 668 CE1 HIS A 46 -8.922 -2.550 -9.975 1.00 0.00 C ATOM 669 NE2 HIS A 46 -9.581 -3.531 -9.385 1.00 0.00 N ATOM 0 H HIS A 46 -4.867 -3.290 -5.489 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.609 -5.144 -6.842 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.204 -2.796 -6.133 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -6.083 -2.188 -7.335 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.210 -4.654 -7.538 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -9.203 -2.067 -10.899 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -10.442 -3.958 -9.728 1.00 0.00 H new ATOM 678 N LYS A 47 -3.954 -3.939 -8.343 1.00 0.00 N ATOM 679 CA LYS A 47 -3.099 -4.079 -9.516 1.00 0.00 C ATOM 680 C LYS A 47 -2.467 -5.465 -9.566 1.00 0.00 C ATOM 681 O LYS A 47 -2.252 -6.021 -10.643 1.00 0.00 O ATOM 682 CB LYS A 47 -2.006 -3.007 -9.504 1.00 0.00 C ATOM 683 CG LYS A 47 -1.192 -2.957 -10.786 1.00 0.00 C ATOM 684 CD LYS A 47 -1.808 -2.007 -11.800 1.00 0.00 C ATOM 685 CE LYS A 47 -0.783 -1.541 -12.822 1.00 0.00 C ATOM 686 NZ LYS A 47 -1.376 -0.604 -13.815 1.00 0.00 N ATOM 0 H LYS A 47 -3.562 -3.357 -7.603 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.717 -3.950 -10.404 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.465 -2.033 -9.336 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.336 -3.192 -8.664 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.174 -2.639 -10.560 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.126 -3.957 -11.216 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.633 -2.504 -12.311 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.227 -1.143 -11.283 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.044 -1.051 -12.309 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.369 -2.405 -13.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.923 -0.746 -14.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.397 -0.786 -13.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.223 0.376 -13.502 1.00 0.00 H new ATOM 700 N HIS A 48 -2.172 -6.019 -8.395 1.00 0.00 N ATOM 701 CA HIS A 48 -1.566 -7.344 -8.307 1.00 0.00 C ATOM 702 C HIS A 48 -2.633 -8.418 -8.116 1.00 0.00 C ATOM 703 O HIS A 48 -2.632 -9.437 -8.805 1.00 0.00 O ATOM 704 CB HIS A 48 -0.564 -7.393 -7.152 1.00 0.00 C ATOM 705 CG HIS A 48 0.201 -6.119 -6.969 1.00 0.00 C ATOM 706 ND1 HIS A 48 0.942 -5.535 -7.973 1.00 0.00 N ATOM 707 CD2 HIS A 48 0.335 -5.315 -5.888 1.00 0.00 C ATOM 708 CE1 HIS A 48 1.501 -4.428 -7.519 1.00 0.00 C ATOM 709 NE2 HIS A 48 1.147 -4.271 -6.256 1.00 0.00 N ATOM 0 H HIS A 48 -2.342 -5.572 -7.494 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.042 -7.540 -9.242 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.097 -7.623 -6.229 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.139 -8.208 -7.326 1.00 0.00 H new ATOM 0 HD1 HIS A 48 1.043 -5.901 -8.920 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -0.113 -5.467 -4.917 1.00 0.00 H new ATOM 0 HE1 HIS A 48 2.139 -3.764 -8.084 1.00 0.00 H new ATOM 718 N ARG A 49 -3.542 -8.182 -7.174 1.00 0.00 N ATOM 719 CA ARG A 49 -4.613 -9.130 -6.892 1.00 0.00 C ATOM 720 C ARG A 49 -5.966 -8.427 -6.856 1.00 0.00 C ATOM 721 O ARG A 49 -6.531 -8.167 -5.793 1.00 0.00 O ATOM 722 CB ARG A 49 -4.358 -9.837 -5.560 1.00 0.00 C ATOM 723 CG ARG A 49 -5.493 -10.753 -5.129 1.00 0.00 C ATOM 724 CD ARG A 49 -5.379 -12.124 -5.775 1.00 0.00 C ATOM 725 NE ARG A 49 -4.223 -12.867 -5.281 1.00 0.00 N ATOM 726 CZ ARG A 49 -3.882 -14.073 -5.721 1.00 0.00 C ATOM 727 NH1 ARG A 49 -4.605 -14.669 -6.660 1.00 0.00 N ATOM 728 NH2 ARG A 49 -2.816 -14.685 -5.223 1.00 0.00 N ATOM 0 H ARG A 49 -3.558 -7.343 -6.594 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.629 -9.870 -7.692 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.441 -10.421 -5.638 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.194 -9.087 -4.786 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.484 -10.859 -4.044 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.448 -10.302 -5.397 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.287 -12.694 -5.579 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.302 -12.010 -6.856 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.646 -12.436 -4.559 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.425 -14.201 -7.046 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.341 -15.595 -6.996 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.257 -14.230 -4.501 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.555 -15.611 -5.562 1.00 0.00 H new ATOM 742 N PRO A 50 -6.500 -8.109 -8.045 1.00 0.00 N ATOM 743 CA PRO A 50 -7.793 -7.431 -8.177 1.00 0.00 C ATOM 744 C PRO A 50 -8.961 -8.329 -7.782 1.00 0.00 C ATOM 745 O PRO A 50 -10.121 -7.927 -7.866 1.00 0.00 O ATOM 746 CB PRO A 50 -7.863 -7.087 -9.666 1.00 0.00 C ATOM 747 CG PRO A 50 -6.987 -8.093 -10.329 1.00 0.00 C ATOM 748 CD PRO A 50 -5.883 -8.388 -9.352 1.00 0.00 C ATOM 0 HA PRO A 50 -7.867 -6.563 -7.521 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.886 -7.146 -10.038 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.513 -6.072 -9.855 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.545 -8.997 -10.572 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.586 -7.705 -11.265 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -5.548 -9.422 -9.425 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.012 -7.757 -9.528 1.00 0.00 H new ATOM 756 N ASP A 51 -8.647 -9.545 -7.351 1.00 0.00 N ATOM 757 CA ASP A 51 -9.671 -10.500 -6.941 1.00 0.00 C ATOM 758 C ASP A 51 -10.264 -10.114 -5.590 1.00 0.00 C ATOM 759 O ASP A 51 -11.471 -10.228 -5.375 1.00 0.00 O ATOM 760 CB ASP A 51 -9.082 -11.911 -6.869 1.00 0.00 C ATOM 761 CG ASP A 51 -10.149 -12.973 -6.688 1.00 0.00 C ATOM 762 OD1 ASP A 51 -10.666 -13.109 -5.559 1.00 0.00 O ATOM 763 OD2 ASP A 51 -10.468 -13.667 -7.675 1.00 0.00 O ATOM 0 H ASP A 51 -7.691 -9.894 -7.276 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.467 -10.484 -7.685 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.521 -12.115 -7.781 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.375 -11.965 -6.041 1.00 0.00 H new ATOM 768 N LEU A 52 -9.408 -9.658 -4.683 1.00 0.00 N ATOM 769 CA LEU A 52 -9.848 -9.255 -3.350 1.00 0.00 C ATOM 770 C LEU A 52 -10.814 -8.077 -3.429 1.00 0.00 C ATOM 771 O LEU A 52 -11.955 -8.165 -2.974 1.00 0.00 O ATOM 772 CB LEU A 52 -8.642 -8.885 -2.484 1.00 0.00 C ATOM 773 CG LEU A 52 -7.444 -9.831 -2.562 1.00 0.00 C ATOM 774 CD1 LEU A 52 -6.255 -9.249 -1.813 1.00 0.00 C ATOM 775 CD2 LEU A 52 -7.809 -11.200 -2.005 1.00 0.00 C ATOM 0 H LEU A 52 -8.406 -9.558 -4.845 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.369 -10.098 -2.895 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.310 -7.886 -2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.969 -8.830 -1.446 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.166 -9.949 -3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.411 -9.936 -1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.979 -8.292 -2.256 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.521 -9.101 -0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.945 -11.861 -2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.113 -11.100 -0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.631 -11.621 -2.584 1.00 0.00 H new ATOM 787 N LEU A 53 -10.350 -6.976 -4.010 1.00 0.00 N ATOM 788 CA LEU A 53 -11.173 -5.780 -4.151 1.00 0.00 C ATOM 789 C LEU A 53 -11.299 -5.375 -5.616 1.00 0.00 C ATOM 790 O LEU A 53 -10.644 -5.948 -6.487 1.00 0.00 O ATOM 791 CB LEU A 53 -10.578 -4.628 -3.340 1.00 0.00 C ATOM 792 CG LEU A 53 -9.137 -4.244 -3.680 1.00 0.00 C ATOM 793 CD1 LEU A 53 -8.819 -2.851 -3.159 1.00 0.00 C ATOM 794 CD2 LEU A 53 -8.163 -5.264 -3.106 1.00 0.00 C ATOM 0 H LEU A 53 -9.408 -6.887 -4.391 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.168 -6.007 -3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.209 -3.750 -3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.623 -4.892 -2.283 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.029 -4.238 -4.765 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.790 -2.595 -3.410 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.495 -2.128 -3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.944 -2.830 -2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.143 -4.975 -3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.273 -5.302 -2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.376 -6.247 -3.527 1.00 0.00 H new ATOM 806 N ASP A 54 -12.142 -4.383 -5.880 1.00 0.00 N ATOM 807 CA ASP A 54 -12.351 -3.898 -7.240 1.00 0.00 C ATOM 808 C ASP A 54 -12.346 -2.372 -7.278 1.00 0.00 C ATOM 809 O ASP A 54 -13.397 -1.736 -7.218 1.00 0.00 O ATOM 810 CB ASP A 54 -13.672 -4.430 -7.796 1.00 0.00 C ATOM 811 CG ASP A 54 -13.519 -5.788 -8.452 1.00 0.00 C ATOM 812 OD1 ASP A 54 -12.691 -5.909 -9.379 1.00 0.00 O ATOM 813 OD2 ASP A 54 -14.226 -6.730 -8.037 1.00 0.00 O ATOM 0 H ASP A 54 -12.692 -3.899 -5.170 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.532 -4.262 -7.860 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.401 -4.500 -6.989 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.069 -3.721 -8.523 1.00 0.00 H new ATOM 818 N PHE A 55 -11.154 -1.793 -7.380 1.00 0.00 N ATOM 819 CA PHE A 55 -11.011 -0.343 -7.426 1.00 0.00 C ATOM 820 C PHE A 55 -12.170 0.294 -8.186 1.00 0.00 C ATOM 821 O PHE A 55 -12.637 1.378 -7.832 1.00 0.00 O ATOM 822 CB PHE A 55 -9.683 0.040 -8.084 1.00 0.00 C ATOM 823 CG PHE A 55 -9.101 1.320 -7.558 1.00 0.00 C ATOM 824 CD1 PHE A 55 -8.447 1.349 -6.338 1.00 0.00 C ATOM 825 CD2 PHE A 55 -9.206 2.495 -8.285 1.00 0.00 C ATOM 826 CE1 PHE A 55 -7.909 2.525 -5.850 1.00 0.00 C ATOM 827 CE2 PHE A 55 -8.670 3.674 -7.803 1.00 0.00 C ATOM 828 CZ PHE A 55 -8.021 3.689 -6.584 1.00 0.00 C ATOM 0 H PHE A 55 -10.274 -2.306 -7.432 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.022 0.030 -6.402 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.965 -0.766 -7.931 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.833 0.133 -9.160 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -8.356 0.441 -5.760 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.712 2.489 -9.239 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.402 2.533 -4.896 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.759 4.583 -8.379 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.602 4.610 -6.206 1.00 0.00 H new ATOM 838 N GLU A 56 -12.631 -0.386 -9.231 1.00 0.00 N ATOM 839 CA GLU A 56 -13.734 0.114 -10.042 1.00 0.00 C ATOM 840 C GLU A 56 -14.990 0.302 -9.195 1.00 0.00 C ATOM 841 O GLU A 56 -15.651 1.338 -9.266 1.00 0.00 O ATOM 842 CB GLU A 56 -14.024 -0.845 -11.198 1.00 0.00 C ATOM 843 CG GLU A 56 -14.414 -2.242 -10.745 1.00 0.00 C ATOM 844 CD GLU A 56 -14.745 -3.161 -11.905 1.00 0.00 C ATOM 845 OE1 GLU A 56 -15.237 -2.658 -12.937 1.00 0.00 O ATOM 846 OE2 GLU A 56 -14.513 -4.381 -11.782 1.00 0.00 O ATOM 0 H GLU A 56 -12.257 -1.285 -9.536 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.442 1.082 -10.449 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -14.827 -0.433 -11.809 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.142 -0.911 -11.834 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.597 -2.673 -10.166 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.276 -2.177 -10.081 1.00 0.00 H new ATOM 853 N SER A 57 -15.313 -0.710 -8.394 1.00 0.00 N ATOM 854 CA SER A 57 -16.491 -0.659 -7.537 1.00 0.00 C ATOM 855 C SER A 57 -16.281 0.314 -6.381 1.00 0.00 C ATOM 856 O SER A 57 -17.217 0.976 -5.932 1.00 0.00 O ATOM 857 CB SER A 57 -16.813 -2.052 -6.994 1.00 0.00 C ATOM 858 OG SER A 57 -18.171 -2.146 -6.600 1.00 0.00 O ATOM 0 H SER A 57 -14.775 -1.574 -8.321 1.00 0.00 H new ATOM 0 HA SER A 57 -17.331 -0.307 -8.136 1.00 0.00 H new ATOM 0 HB2 SER A 57 -16.600 -2.801 -7.757 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.168 -2.272 -6.143 1.00 0.00 H new ATOM 0 HG SER A 57 -18.351 -3.047 -6.258 1.00 0.00 H new ATOM 864 N LEU A 58 -15.043 0.396 -5.903 1.00 0.00 N ATOM 865 CA LEU A 58 -14.707 1.287 -4.798 1.00 0.00 C ATOM 866 C LEU A 58 -14.786 2.747 -5.234 1.00 0.00 C ATOM 867 O LEU A 58 -14.758 3.053 -6.426 1.00 0.00 O ATOM 868 CB LEU A 58 -13.306 0.975 -4.273 1.00 0.00 C ATOM 869 CG LEU A 58 -13.056 -0.472 -3.842 1.00 0.00 C ATOM 870 CD1 LEU A 58 -11.590 -0.682 -3.501 1.00 0.00 C ATOM 871 CD2 LEU A 58 -13.940 -0.834 -2.658 1.00 0.00 C ATOM 0 H LEU A 58 -14.256 -0.144 -6.264 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.431 1.125 -4.000 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.584 1.232 -5.048 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.105 1.626 -3.422 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.310 -1.129 -4.674 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.432 -1.717 -3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.978 -0.463 -4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.307 -0.017 -2.685 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.750 -1.866 -2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.717 -0.172 -1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.987 -0.724 -2.939 1.00 0.00 H new ATOM 883 N LYS A 59 -14.882 3.646 -4.260 1.00 0.00 N ATOM 884 CA LYS A 59 -14.960 5.074 -4.540 1.00 0.00 C ATOM 885 C LYS A 59 -13.871 5.836 -3.793 1.00 0.00 C ATOM 886 O LYS A 59 -13.019 5.238 -3.136 1.00 0.00 O ATOM 887 CB LYS A 59 -16.337 5.617 -4.149 1.00 0.00 C ATOM 888 CG LYS A 59 -16.737 5.286 -2.722 1.00 0.00 C ATOM 889 CD LYS A 59 -18.162 5.725 -2.427 1.00 0.00 C ATOM 890 CE LYS A 59 -19.178 4.746 -2.995 1.00 0.00 C ATOM 891 NZ LYS A 59 -20.565 5.075 -2.568 1.00 0.00 N ATOM 0 H LYS A 59 -14.908 3.410 -3.268 1.00 0.00 H new ATOM 0 HA LYS A 59 -14.810 5.217 -5.610 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -16.341 6.699 -4.277 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -17.085 5.212 -4.831 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -16.644 4.213 -2.557 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -16.053 5.776 -2.028 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -18.301 5.811 -1.349 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -18.333 6.715 -2.850 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -19.122 4.755 -4.083 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -18.929 3.735 -2.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -21.227 4.384 -2.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -20.626 5.042 -1.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -20.813 6.029 -2.899 1.00 0.00 H new ATOM 905 N LYS A 60 -13.904 7.161 -3.898 1.00 0.00 N ATOM 906 CA LYS A 60 -12.921 8.006 -3.230 1.00 0.00 C ATOM 907 C LYS A 60 -13.544 8.726 -2.038 1.00 0.00 C ATOM 908 O LYS A 60 -12.856 9.429 -1.297 1.00 0.00 O ATOM 909 CB LYS A 60 -12.345 9.028 -4.213 1.00 0.00 C ATOM 910 CG LYS A 60 -13.388 9.963 -4.799 1.00 0.00 C ATOM 911 CD LYS A 60 -13.972 9.410 -6.089 1.00 0.00 C ATOM 912 CE LYS A 60 -13.180 9.873 -7.302 1.00 0.00 C ATOM 913 NZ LYS A 60 -13.478 11.290 -7.652 1.00 0.00 N ATOM 0 H LYS A 60 -14.601 7.672 -4.439 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.116 7.367 -2.866 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -11.584 9.620 -3.705 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.847 8.498 -5.025 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.187 10.118 -4.074 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.938 10.937 -4.991 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.977 8.321 -6.050 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -15.009 9.730 -6.187 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.114 9.765 -7.102 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.412 9.232 -8.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.026 11.526 -8.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.507 11.418 -7.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.110 11.916 -6.908 1.00 0.00 H new ATOM 927 N CYS A 61 -14.847 8.545 -1.858 1.00 0.00 N ATOM 928 CA CYS A 61 -15.562 9.179 -0.756 1.00 0.00 C ATOM 929 C CYS A 61 -15.385 8.384 0.534 1.00 0.00 C ATOM 930 O CYS A 61 -14.997 8.932 1.565 1.00 0.00 O ATOM 931 CB CYS A 61 -17.049 9.305 -1.091 1.00 0.00 C ATOM 932 SG CYS A 61 -17.421 10.569 -2.329 1.00 0.00 S ATOM 0 H CYS A 61 -15.430 7.965 -2.461 1.00 0.00 H new ATOM 0 HA CYS A 61 -15.145 10.175 -0.609 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -17.413 8.342 -1.450 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -17.598 9.533 -0.178 1.00 0.00 H new ATOM 0 HG CYS A 61 -18.702 10.599 -2.547 1.00 0.00 H new ATOM 938 N ASN A 62 -15.675 7.088 0.469 1.00 0.00 N ATOM 939 CA ASN A 62 -15.549 6.217 1.633 1.00 0.00 C ATOM 940 C ASN A 62 -14.092 5.838 1.874 1.00 0.00 C ATOM 941 O ASN A 62 -13.496 5.098 1.092 1.00 0.00 O ATOM 942 CB ASN A 62 -16.394 4.955 1.444 1.00 0.00 C ATOM 943 CG ASN A 62 -16.851 4.362 2.763 1.00 0.00 C ATOM 944 OD1 ASN A 62 -15.966 4.372 3.754 1.00 0.00 O flip ATOM 945 ND2 ASN A 62 -17.985 3.902 2.890 1.00 0.00 N flip ATOM 0 H ASN A 62 -15.999 6.618 -0.377 1.00 0.00 H new ATOM 0 HA ASN A 62 -15.911 6.761 2.505 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.266 5.193 0.834 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -15.815 4.212 0.896 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -18.632 3.915 2.102 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -18.278 3.507 3.784 1.00 0.00 H new ATOM 952 N ALA A 63 -13.525 6.350 2.961 1.00 0.00 N ATOM 953 CA ALA A 63 -12.139 6.063 3.307 1.00 0.00 C ATOM 954 C ALA A 63 -12.054 5.005 4.403 1.00 0.00 C ATOM 955 O ALA A 63 -11.524 3.915 4.188 1.00 0.00 O ATOM 956 CB ALA A 63 -11.429 7.336 3.743 1.00 0.00 C ATOM 0 H ALA A 63 -14.005 6.966 3.617 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.643 5.670 2.420 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.395 7.106 3.998 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.450 8.061 2.929 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.934 7.754 4.614 1.00 0.00 H new ATOM 962 N HIS A 64 -12.578 5.336 5.579 1.00 0.00 N ATOM 963 CA HIS A 64 -12.562 4.414 6.709 1.00 0.00 C ATOM 964 C HIS A 64 -12.711 2.971 6.236 1.00 0.00 C ATOM 965 O HIS A 64 -11.882 2.116 6.549 1.00 0.00 O ATOM 966 CB HIS A 64 -13.681 4.759 7.692 1.00 0.00 C ATOM 967 CG HIS A 64 -13.421 4.280 9.087 1.00 0.00 C ATOM 968 ND1 HIS A 64 -12.750 3.109 9.368 1.00 0.00 N ATOM 969 CD2 HIS A 64 -13.747 4.821 10.285 1.00 0.00 C ATOM 970 CE1 HIS A 64 -12.674 2.949 10.678 1.00 0.00 C ATOM 971 NE2 HIS A 64 -13.271 3.975 11.257 1.00 0.00 N ATOM 0 H HIS A 64 -13.019 6.235 5.774 1.00 0.00 H new ATOM 0 HA HIS A 64 -11.601 4.514 7.214 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -13.819 5.840 7.708 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.614 4.323 7.335 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -14.282 5.745 10.446 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -12.204 2.121 11.188 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -13.364 4.116 12.263 1.00 0.00 H new ATOM 980 N TYR A 65 -13.773 2.708 5.483 1.00 0.00 N ATOM 981 CA TYR A 65 -14.033 1.368 4.970 1.00 0.00 C ATOM 982 C TYR A 65 -12.927 0.927 4.015 1.00 0.00 C ATOM 983 O TYR A 65 -12.430 -0.195 4.101 1.00 0.00 O ATOM 984 CB TYR A 65 -15.385 1.325 4.256 1.00 0.00 C ATOM 985 CG TYR A 65 -15.720 -0.028 3.673 1.00 0.00 C ATOM 986 CD1 TYR A 65 -15.282 -0.387 2.404 1.00 0.00 C ATOM 987 CD2 TYR A 65 -16.472 -0.950 4.391 1.00 0.00 C ATOM 988 CE1 TYR A 65 -15.587 -1.623 1.866 1.00 0.00 C ATOM 989 CE2 TYR A 65 -16.780 -2.189 3.863 1.00 0.00 C ATOM 990 CZ TYR A 65 -16.335 -2.520 2.600 1.00 0.00 C ATOM 991 OH TYR A 65 -16.639 -3.752 2.069 1.00 0.00 O ATOM 0 H TYR A 65 -14.468 3.405 5.214 1.00 0.00 H new ATOM 0 HA TYR A 65 -14.055 0.681 5.816 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -16.167 1.612 4.959 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -15.388 2.066 3.457 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -14.693 0.312 1.828 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -16.822 -0.693 5.380 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.242 -1.885 0.877 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -17.365 -2.894 4.435 1.00 0.00 H new ATOM 0 HH TYR A 65 -17.171 -4.264 2.714 1.00 0.00 H new ATOM 1001 N ASN A 66 -12.548 1.819 3.107 1.00 0.00 N ATOM 1002 CA ASN A 66 -11.501 1.524 2.135 1.00 0.00 C ATOM 1003 C ASN A 66 -10.206 1.122 2.835 1.00 0.00 C ATOM 1004 O ASN A 66 -9.444 0.297 2.330 1.00 0.00 O ATOM 1005 CB ASN A 66 -11.253 2.736 1.236 1.00 0.00 C ATOM 1006 CG ASN A 66 -12.349 2.923 0.204 1.00 0.00 C ATOM 1007 OD1 ASN A 66 -13.361 2.223 0.222 1.00 0.00 O ATOM 1008 ND2 ASN A 66 -12.150 3.872 -0.704 1.00 0.00 N ATOM 0 H ASN A 66 -12.950 2.753 3.023 1.00 0.00 H new ATOM 0 HA ASN A 66 -11.836 0.688 1.521 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.180 3.633 1.851 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.296 2.619 0.728 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -12.852 4.044 -1.424 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -11.296 4.429 -0.681 1.00 0.00 H new ATOM 1015 N LEU A 67 -9.964 1.712 4.001 1.00 0.00 N ATOM 1016 CA LEU A 67 -8.762 1.416 4.773 1.00 0.00 C ATOM 1017 C LEU A 67 -8.880 0.063 5.467 1.00 0.00 C ATOM 1018 O LEU A 67 -8.172 -0.884 5.127 1.00 0.00 O ATOM 1019 CB LEU A 67 -8.514 2.515 5.808 1.00 0.00 C ATOM 1020 CG LEU A 67 -8.072 3.869 5.256 1.00 0.00 C ATOM 1021 CD1 LEU A 67 -8.320 4.969 6.277 1.00 0.00 C ATOM 1022 CD2 LEU A 67 -6.604 3.831 4.857 1.00 0.00 C ATOM 0 H LEU A 67 -10.584 2.398 4.432 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.918 1.377 4.085 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.430 2.660 6.381 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.754 2.164 6.506 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.663 4.086 4.367 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.999 5.926 5.866 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.383 5.014 6.513 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.756 4.757 7.185 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.308 4.804 4.466 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.996 3.590 5.729 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.455 3.071 4.090 1.00 0.00 H new ATOM 1034 N GLN A 68 -9.780 -0.020 6.442 1.00 0.00 N ATOM 1035 CA GLN A 68 -9.990 -1.257 7.184 1.00 0.00 C ATOM 1036 C GLN A 68 -10.034 -2.456 6.242 1.00 0.00 C ATOM 1037 O GLN A 68 -9.392 -3.475 6.489 1.00 0.00 O ATOM 1038 CB GLN A 68 -11.289 -1.180 7.988 1.00 0.00 C ATOM 1039 CG GLN A 68 -12.510 -1.660 7.221 1.00 0.00 C ATOM 1040 CD GLN A 68 -13.780 -1.599 8.048 1.00 0.00 C ATOM 1041 OE1 GLN A 68 -13.791 -1.049 9.149 1.00 0.00 O ATOM 1042 NE2 GLN A 68 -14.858 -2.165 7.520 1.00 0.00 N ATOM 0 H GLN A 68 -10.375 0.755 6.736 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.153 -1.386 7.870 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.182 -1.777 8.894 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.451 -0.149 8.303 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.634 -1.051 6.326 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.346 -2.685 6.889 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.803 -2.610 6.604 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.741 -2.155 8.030 1.00 0.00 H new ATOM 1051 N ASN A 69 -10.796 -2.325 5.160 1.00 0.00 N ATOM 1052 CA ASN A 69 -10.923 -3.397 4.181 1.00 0.00 C ATOM 1053 C ASN A 69 -9.554 -3.823 3.659 1.00 0.00 C ATOM 1054 O ASN A 69 -9.191 -4.997 3.725 1.00 0.00 O ATOM 1055 CB ASN A 69 -11.809 -2.950 3.016 1.00 0.00 C ATOM 1056 CG ASN A 69 -12.179 -4.099 2.098 1.00 0.00 C ATOM 1057 OD1 ASN A 69 -11.591 -4.118 0.908 1.00 0.00 O flip ATOM 1058 ND2 ASN A 69 -12.985 -4.959 2.454 1.00 0.00 N flip ATOM 0 H ASN A 69 -11.334 -1.487 4.940 1.00 0.00 H new ATOM 0 HA ASN A 69 -11.386 -4.252 4.674 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.718 -2.495 3.408 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -11.290 -2.182 2.442 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -13.413 -4.905 3.378 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -13.224 -5.725 1.825 1.00 0.00 H new ATOM 1065 N ALA A 70 -8.799 -2.861 3.140 1.00 0.00 N ATOM 1066 CA ALA A 70 -7.470 -3.135 2.609 1.00 0.00 C ATOM 1067 C ALA A 70 -6.579 -3.780 3.666 1.00 0.00 C ATOM 1068 O ALA A 70 -5.976 -4.826 3.429 1.00 0.00 O ATOM 1069 CB ALA A 70 -6.833 -1.854 2.091 1.00 0.00 C ATOM 0 H ALA A 70 -9.085 -1.884 3.076 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.575 -3.836 1.781 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.841 -2.074 1.698 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.453 -1.434 1.299 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.749 -1.134 2.905 1.00 0.00 H new ATOM 1075 N PHE A 71 -6.499 -3.148 4.832 1.00 0.00 N ATOM 1076 CA PHE A 71 -5.680 -3.659 5.925 1.00 0.00 C ATOM 1077 C PHE A 71 -6.037 -5.109 6.240 1.00 0.00 C ATOM 1078 O PHE A 71 -5.161 -5.963 6.358 1.00 0.00 O ATOM 1079 CB PHE A 71 -5.862 -2.794 7.174 1.00 0.00 C ATOM 1080 CG PHE A 71 -5.318 -1.403 7.024 1.00 0.00 C ATOM 1081 CD1 PHE A 71 -4.080 -1.188 6.440 1.00 0.00 C ATOM 1082 CD2 PHE A 71 -6.043 -0.309 7.468 1.00 0.00 C ATOM 1083 CE1 PHE A 71 -3.576 0.092 6.302 1.00 0.00 C ATOM 1084 CE2 PHE A 71 -5.545 0.972 7.332 1.00 0.00 C ATOM 1085 CZ PHE A 71 -4.310 1.173 6.747 1.00 0.00 C ATOM 0 H PHE A 71 -6.992 -2.281 5.045 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.636 -3.620 5.613 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.924 -2.736 7.415 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.370 -3.279 8.017 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -3.502 -2.030 6.089 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.009 -0.460 7.926 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -2.609 0.246 5.846 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -6.121 1.816 7.683 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.919 2.174 6.638 1.00 0.00 H new ATOM 1095 N ASN A 72 -7.333 -5.377 6.375 1.00 0.00 N ATOM 1096 CA ASN A 72 -7.806 -6.723 6.677 1.00 0.00 C ATOM 1097 C ASN A 72 -7.463 -7.688 5.545 1.00 0.00 C ATOM 1098 O ASN A 72 -6.715 -8.646 5.737 1.00 0.00 O ATOM 1099 CB ASN A 72 -9.318 -6.713 6.913 1.00 0.00 C ATOM 1100 CG ASN A 72 -9.730 -5.719 7.982 1.00 0.00 C ATOM 1101 OD1 ASN A 72 -10.837 -5.025 7.750 1.00 0.00 O flip ATOM 1102 ND2 ASN A 72 -9.059 -5.579 9.006 1.00 0.00 N flip ATOM 0 H ASN A 72 -8.072 -4.681 6.280 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.305 -7.062 7.584 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.827 -6.471 5.980 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.644 -7.711 7.204 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.214 -6.134 9.142 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.348 -4.908 9.717 1.00 0.00 H new ATOM 1109 N LEU A 73 -8.016 -7.426 4.365 1.00 0.00 N ATOM 1110 CA LEU A 73 -7.768 -8.271 3.201 1.00 0.00 C ATOM 1111 C LEU A 73 -6.294 -8.650 3.108 1.00 0.00 C ATOM 1112 O LEU A 73 -5.955 -9.785 2.771 1.00 0.00 O ATOM 1113 CB LEU A 73 -8.204 -7.551 1.923 1.00 0.00 C ATOM 1114 CG LEU A 73 -9.696 -7.614 1.594 1.00 0.00 C ATOM 1115 CD1 LEU A 73 -10.006 -6.772 0.366 1.00 0.00 C ATOM 1116 CD2 LEU A 73 -10.135 -9.055 1.380 1.00 0.00 C ATOM 0 H LEU A 73 -8.638 -6.637 4.189 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.352 -9.185 3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.914 -6.503 2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.649 -7.973 1.085 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.253 -7.208 2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -11.072 -6.828 0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.729 -5.735 0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.439 -7.148 -0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.199 -9.080 1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.572 -9.488 0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.948 -9.631 2.287 1.00 0.00 H new ATOM 1128 N ALA A 74 -5.422 -7.693 3.408 1.00 0.00 N ATOM 1129 CA ALA A 74 -3.983 -7.928 3.362 1.00 0.00 C ATOM 1130 C ALA A 74 -3.512 -8.690 4.595 1.00 0.00 C ATOM 1131 O ALA A 74 -2.551 -9.456 4.532 1.00 0.00 O ATOM 1132 CB ALA A 74 -3.237 -6.609 3.237 1.00 0.00 C ATOM 0 H ALA A 74 -5.686 -6.748 3.685 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.767 -8.539 2.486 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.164 -6.799 3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.544 -6.103 2.322 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.467 -5.978 4.096 1.00 0.00 H new ATOM 1138 N GLU A 75 -4.195 -8.476 5.716 1.00 0.00 N ATOM 1139 CA GLU A 75 -3.843 -9.143 6.963 1.00 0.00 C ATOM 1140 C GLU A 75 -4.413 -10.558 7.004 1.00 0.00 C ATOM 1141 O GLU A 75 -4.018 -11.376 7.835 1.00 0.00 O ATOM 1142 CB GLU A 75 -4.359 -8.340 8.160 1.00 0.00 C ATOM 1143 CG GLU A 75 -3.974 -8.934 9.504 1.00 0.00 C ATOM 1144 CD GLU A 75 -4.970 -9.969 9.990 1.00 0.00 C ATOM 1145 OE1 GLU A 75 -6.170 -9.833 9.671 1.00 0.00 O ATOM 1146 OE2 GLU A 75 -4.550 -10.915 10.690 1.00 0.00 O ATOM 0 H GLU A 75 -4.994 -7.846 5.785 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.756 -9.206 7.017 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.972 -7.323 8.098 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.445 -8.272 8.100 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.988 -9.392 9.426 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.896 -8.135 10.242 1.00 0.00 H new ATOM 1153 N LYS A 76 -5.346 -10.839 6.101 1.00 0.00 N ATOM 1154 CA LYS A 76 -5.972 -12.154 6.030 1.00 0.00 C ATOM 1155 C LYS A 76 -5.484 -12.925 4.807 1.00 0.00 C ATOM 1156 O LYS A 76 -5.010 -14.054 4.923 1.00 0.00 O ATOM 1157 CB LYS A 76 -7.496 -12.015 5.985 1.00 0.00 C ATOM 1158 CG LYS A 76 -8.232 -13.330 6.175 1.00 0.00 C ATOM 1159 CD LYS A 76 -9.613 -13.113 6.773 1.00 0.00 C ATOM 1160 CE LYS A 76 -10.601 -12.619 5.728 1.00 0.00 C ATOM 1161 NZ LYS A 76 -10.910 -13.669 4.716 1.00 0.00 N ATOM 0 H LYS A 76 -5.686 -10.173 5.407 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.691 -12.711 6.924 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.812 -11.316 6.760 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.785 -11.581 5.028 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.325 -13.838 5.215 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.651 -13.983 6.826 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.975 -14.046 7.205 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.549 -12.390 7.586 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.522 -12.305 6.219 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.192 -11.741 5.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.796 -13.430 4.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.136 -13.722 4.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.014 -14.589 5.190 1.00 0.00 H new ATOM 1175 N GLU A 77 -5.602 -12.304 3.638 1.00 0.00 N ATOM 1176 CA GLU A 77 -5.172 -12.934 2.394 1.00 0.00 C ATOM 1177 C GLU A 77 -3.655 -13.100 2.365 1.00 0.00 C ATOM 1178 O GLU A 77 -3.141 -14.216 2.441 1.00 0.00 O ATOM 1179 CB GLU A 77 -5.628 -12.103 1.192 1.00 0.00 C ATOM 1180 CG GLU A 77 -7.129 -11.867 1.150 1.00 0.00 C ATOM 1181 CD GLU A 77 -7.914 -13.143 0.917 1.00 0.00 C ATOM 1182 OE1 GLU A 77 -8.019 -13.955 1.858 1.00 0.00 O ATOM 1183 OE2 GLU A 77 -8.423 -13.327 -0.209 1.00 0.00 O ATOM 0 H GLU A 77 -5.991 -11.368 3.526 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.630 -13.922 2.339 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.118 -11.140 1.212 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.322 -12.607 0.275 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.448 -11.415 2.089 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.359 -11.154 0.358 1.00 0.00 H new ATOM 1190 N LEU A 78 -2.946 -11.983 2.255 1.00 0.00 N ATOM 1191 CA LEU A 78 -1.487 -12.003 2.215 1.00 0.00 C ATOM 1192 C LEU A 78 -0.914 -12.508 3.536 1.00 0.00 C ATOM 1193 O LEU A 78 0.005 -13.327 3.552 1.00 0.00 O ATOM 1194 CB LEU A 78 -0.946 -10.605 1.913 1.00 0.00 C ATOM 1195 CG LEU A 78 -1.589 -9.876 0.732 1.00 0.00 C ATOM 1196 CD1 LEU A 78 -1.184 -8.410 0.724 1.00 0.00 C ATOM 1197 CD2 LEU A 78 -1.207 -10.545 -0.580 1.00 0.00 C ATOM 0 H LEU A 78 -3.357 -11.051 2.192 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.179 -12.684 1.422 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.069 -9.990 2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.125 -10.684 1.725 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.672 -9.931 0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.651 -7.908 -0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.510 -7.937 1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.100 -8.332 0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.673 -10.013 -1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.124 -10.522 -0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.550 -11.580 -0.574 1.00 0.00 H new ATOM 1209 N GLY A 79 -1.465 -12.016 4.641 1.00 0.00 N ATOM 1210 CA GLY A 79 -0.997 -12.431 5.951 1.00 0.00 C ATOM 1211 C GLY A 79 -0.031 -11.436 6.563 1.00 0.00 C ATOM 1212 O GLY A 79 0.920 -11.821 7.245 1.00 0.00 O ATOM 0 H GLY A 79 -2.227 -11.338 4.653 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.852 -12.559 6.615 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.510 -13.402 5.868 1.00 0.00 H new ATOM 1216 N LEU A 80 -0.272 -10.153 6.318 1.00 0.00 N ATOM 1217 CA LEU A 80 0.585 -9.099 6.850 1.00 0.00 C ATOM 1218 C LEU A 80 0.068 -8.603 8.197 1.00 0.00 C ATOM 1219 O LEU A 80 -1.129 -8.377 8.369 1.00 0.00 O ATOM 1220 CB LEU A 80 0.666 -7.933 5.861 1.00 0.00 C ATOM 1221 CG LEU A 80 1.343 -8.233 4.524 1.00 0.00 C ATOM 1222 CD1 LEU A 80 1.012 -7.155 3.504 1.00 0.00 C ATOM 1223 CD2 LEU A 80 2.850 -8.355 4.704 1.00 0.00 C ATOM 0 H LEU A 80 -1.053 -9.817 5.755 1.00 0.00 H new ATOM 0 HA LEU A 80 1.582 -9.515 6.996 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.346 -7.581 5.662 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.201 -7.113 6.340 1.00 0.00 H new ATOM 0 HG LEU A 80 0.963 -9.185 4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.503 -7.386 2.559 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.067 -7.116 3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.362 -6.189 3.868 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.315 -8.569 3.742 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.246 -7.419 5.099 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.069 -9.164 5.401 1.00 0.00 H new ATOM 1235 N THR A 81 0.981 -8.434 9.149 1.00 0.00 N ATOM 1236 CA THR A 81 0.617 -7.964 10.480 1.00 0.00 C ATOM 1237 C THR A 81 0.235 -6.489 10.457 1.00 0.00 C ATOM 1238 O THR A 81 1.051 -5.630 10.123 1.00 0.00 O ATOM 1239 CB THR A 81 1.771 -8.169 11.481 1.00 0.00 C ATOM 1240 OG1 THR A 81 2.147 -9.549 11.519 1.00 0.00 O ATOM 1241 CG2 THR A 81 1.364 -7.710 12.874 1.00 0.00 C ATOM 0 H THR A 81 1.977 -8.615 9.023 1.00 0.00 H new ATOM 0 HA THR A 81 -0.242 -8.553 10.800 1.00 0.00 H new ATOM 0 HB THR A 81 2.621 -7.571 11.151 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.882 -9.670 12.156 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.193 -7.864 13.565 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.106 -6.651 12.847 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.501 -8.286 13.209 1.00 0.00 H new ATOM 1249 N LYS A 82 -1.011 -6.201 10.815 1.00 0.00 N ATOM 1250 CA LYS A 82 -1.503 -4.828 10.837 1.00 0.00 C ATOM 1251 C LYS A 82 -0.690 -3.975 11.806 1.00 0.00 C ATOM 1252 O LYS A 82 -0.751 -4.169 13.021 1.00 0.00 O ATOM 1253 CB LYS A 82 -2.981 -4.800 11.233 1.00 0.00 C ATOM 1254 CG LYS A 82 -3.930 -4.906 10.051 1.00 0.00 C ATOM 1255 CD LYS A 82 -5.380 -4.937 10.501 1.00 0.00 C ATOM 1256 CE LYS A 82 -5.794 -6.329 10.953 1.00 0.00 C ATOM 1257 NZ LYS A 82 -6.998 -6.292 11.828 1.00 0.00 N ATOM 0 H LYS A 82 -1.699 -6.900 11.094 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.394 -4.413 9.835 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.179 -5.621 11.922 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.187 -3.875 11.771 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.774 -4.060 9.381 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.705 -5.809 9.483 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.524 -4.230 11.318 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -6.023 -4.613 9.683 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -5.998 -6.949 10.080 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.969 -6.797 11.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -7.248 -7.260 12.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.795 -5.722 12.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -7.793 -5.869 11.307 1.00 0.00 H new ATOM 1271 N LEU A 83 0.068 -3.030 11.262 1.00 0.00 N ATOM 1272 CA LEU A 83 0.892 -2.146 12.079 1.00 0.00 C ATOM 1273 C LEU A 83 0.167 -0.834 12.362 1.00 0.00 C ATOM 1274 O LEU A 83 0.451 -0.156 13.350 1.00 0.00 O ATOM 1275 CB LEU A 83 2.224 -1.866 11.379 1.00 0.00 C ATOM 1276 CG LEU A 83 2.830 -3.032 10.598 1.00 0.00 C ATOM 1277 CD1 LEU A 83 3.937 -2.541 9.679 1.00 0.00 C ATOM 1278 CD2 LEU A 83 3.356 -4.095 11.550 1.00 0.00 C ATOM 0 H LEU A 83 0.129 -2.856 10.259 1.00 0.00 H new ATOM 0 HA LEU A 83 1.086 -2.645 13.029 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.083 -1.030 10.694 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.945 -1.544 12.130 1.00 0.00 H new ATOM 0 HG LEU A 83 2.048 -3.478 9.984 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.356 -3.385 9.131 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.530 -1.817 8.973 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.720 -2.069 10.272 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.784 -4.917 10.977 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.124 -3.662 12.191 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.538 -4.469 12.166 1.00 0.00 H new ATOM 1290 N LEU A 84 -0.770 -0.482 11.490 1.00 0.00 N ATOM 1291 CA LEU A 84 -1.539 0.748 11.647 1.00 0.00 C ATOM 1292 C LEU A 84 -3.029 0.448 11.773 1.00 0.00 C ATOM 1293 O LEU A 84 -3.436 -0.713 11.828 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.294 1.681 10.459 1.00 0.00 C ATOM 1295 CG LEU A 84 0.164 2.061 10.193 1.00 0.00 C ATOM 1296 CD1 LEU A 84 0.283 2.838 8.892 1.00 0.00 C ATOM 1297 CD2 LEU A 84 0.724 2.868 11.354 1.00 0.00 C ATOM 0 H LEU A 84 -1.016 -1.031 10.666 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.208 1.239 12.562 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.695 1.208 9.562 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.864 2.596 10.618 1.00 0.00 H new ATOM 0 HG LEU A 84 0.748 1.146 10.099 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.327 3.100 8.719 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.079 2.224 8.067 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.314 3.748 8.956 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.762 3.130 11.148 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.138 3.779 11.480 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.674 2.275 12.267 1.00 0.00 H new ATOM 1309 N ASP A 85 -3.838 1.500 11.817 1.00 0.00 N ATOM 1310 CA ASP A 85 -5.283 1.349 11.934 1.00 0.00 C ATOM 1311 C ASP A 85 -6.007 2.293 10.978 1.00 0.00 C ATOM 1312 O ASP A 85 -5.508 3.362 10.625 1.00 0.00 O ATOM 1313 CB ASP A 85 -5.731 1.617 13.371 1.00 0.00 C ATOM 1314 CG ASP A 85 -5.368 0.486 14.312 1.00 0.00 C ATOM 1315 OD1 ASP A 85 -5.852 -0.645 14.095 1.00 0.00 O ATOM 1316 OD2 ASP A 85 -4.600 0.730 15.266 1.00 0.00 O ATOM 0 H ASP A 85 -3.517 2.467 11.773 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.539 0.324 11.667 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.273 2.541 13.725 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.810 1.769 13.390 1.00 0.00 H new ATOM 1321 N PRO A 86 -7.211 1.889 10.547 1.00 0.00 N ATOM 1322 CA PRO A 86 -8.029 2.684 9.625 1.00 0.00 C ATOM 1323 C PRO A 86 -8.578 3.947 10.279 1.00 0.00 C ATOM 1324 O PRO A 86 -9.159 4.800 9.610 1.00 0.00 O ATOM 1325 CB PRO A 86 -9.171 1.735 9.256 1.00 0.00 C ATOM 1326 CG PRO A 86 -9.269 0.794 10.407 1.00 0.00 C ATOM 1327 CD PRO A 86 -7.868 0.627 10.926 1.00 0.00 C ATOM 0 HA PRO A 86 -7.453 3.034 8.768 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.105 2.278 9.108 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.960 1.204 8.328 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -9.927 1.191 11.180 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -9.686 -0.163 10.094 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -7.855 0.475 12.005 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.373 -0.234 10.477 1.00 0.00 H new ATOM 1335 N GLU A 87 -8.387 4.060 11.590 1.00 0.00 N ATOM 1336 CA GLU A 87 -8.864 5.220 12.334 1.00 0.00 C ATOM 1337 C GLU A 87 -7.695 6.074 12.819 1.00 0.00 C ATOM 1338 O GLU A 87 -7.892 7.144 13.395 1.00 0.00 O ATOM 1339 CB GLU A 87 -9.714 4.776 13.526 1.00 0.00 C ATOM 1340 CG GLU A 87 -9.193 3.525 14.212 1.00 0.00 C ATOM 1341 CD GLU A 87 -9.813 3.308 15.578 1.00 0.00 C ATOM 1342 OE1 GLU A 87 -9.516 4.099 16.498 1.00 0.00 O ATOM 1343 OE2 GLU A 87 -10.597 2.346 15.729 1.00 0.00 O ATOM 0 H GLU A 87 -7.906 3.363 12.158 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.478 5.821 11.664 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.758 5.587 14.253 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.734 4.596 13.187 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.397 2.659 13.583 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.110 3.596 14.316 1.00 0.00 H new ATOM 1350 N ASP A 88 -6.481 5.592 12.580 1.00 0.00 N ATOM 1351 CA ASP A 88 -5.280 6.311 12.991 1.00 0.00 C ATOM 1352 C ASP A 88 -4.595 6.957 11.791 1.00 0.00 C ATOM 1353 O ASP A 88 -3.957 8.003 11.916 1.00 0.00 O ATOM 1354 CB ASP A 88 -4.309 5.362 13.697 1.00 0.00 C ATOM 1355 CG ASP A 88 -4.549 5.297 15.194 1.00 0.00 C ATOM 1356 OD1 ASP A 88 -4.526 6.362 15.845 1.00 0.00 O ATOM 1357 OD2 ASP A 88 -4.760 4.180 15.713 1.00 0.00 O ATOM 0 H ASP A 88 -6.302 4.708 12.104 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.577 7.098 13.684 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -4.408 4.363 13.272 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.286 5.688 13.510 1.00 0.00 H new ATOM 1362 N VAL A 89 -4.732 6.326 10.629 1.00 0.00 N ATOM 1363 CA VAL A 89 -4.126 6.841 9.406 1.00 0.00 C ATOM 1364 C VAL A 89 -5.015 7.894 8.753 1.00 0.00 C ATOM 1365 O VAL A 89 -4.527 8.811 8.094 1.00 0.00 O ATOM 1366 CB VAL A 89 -3.861 5.711 8.393 1.00 0.00 C ATOM 1367 CG1 VAL A 89 -3.379 6.282 7.068 1.00 0.00 C ATOM 1368 CG2 VAL A 89 -2.851 4.720 8.954 1.00 0.00 C ATOM 0 H VAL A 89 -5.256 5.459 10.509 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.177 7.296 9.690 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.797 5.181 8.214 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.197 5.468 6.366 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.139 6.949 6.661 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.455 6.838 7.226 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.675 3.928 8.226 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.914 5.235 9.163 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.240 4.286 9.875 1.00 0.00 H new ATOM 1378 N ASN A 90 -6.323 7.754 8.941 1.00 0.00 N ATOM 1379 CA ASN A 90 -7.281 8.695 8.371 1.00 0.00 C ATOM 1380 C ASN A 90 -7.304 9.998 9.164 1.00 0.00 C ATOM 1381 O ASN A 90 -8.168 10.203 10.017 1.00 0.00 O ATOM 1382 CB ASN A 90 -8.681 8.076 8.344 1.00 0.00 C ATOM 1383 CG ASN A 90 -9.662 8.899 7.532 1.00 0.00 C ATOM 1384 OD1 ASN A 90 -9.424 10.076 7.259 1.00 0.00 O ATOM 1385 ND2 ASN A 90 -10.771 8.282 7.141 1.00 0.00 N ATOM 0 H ASN A 90 -6.744 6.999 9.483 1.00 0.00 H new ATOM 0 HA ASN A 90 -6.969 8.918 7.351 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -8.623 7.070 7.927 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -9.051 7.977 9.364 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -11.468 8.785 6.591 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -10.926 7.305 7.390 1.00 0.00 H new ATOM 1392 N VAL A 91 -6.348 10.875 8.878 1.00 0.00 N ATOM 1393 CA VAL A 91 -6.258 12.159 9.563 1.00 0.00 C ATOM 1394 C VAL A 91 -5.684 13.233 8.646 1.00 0.00 C ATOM 1395 O VAL A 91 -5.042 12.927 7.640 1.00 0.00 O ATOM 1396 CB VAL A 91 -5.387 12.061 10.828 1.00 0.00 C ATOM 1397 CG1 VAL A 91 -3.912 11.998 10.458 1.00 0.00 C ATOM 1398 CG2 VAL A 91 -5.662 13.234 11.758 1.00 0.00 C ATOM 0 H VAL A 91 -5.624 10.720 8.176 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.273 12.435 9.850 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.645 11.142 11.354 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.312 11.929 11.365 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.730 11.122 9.835 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.636 12.898 9.908 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.037 13.148 12.647 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.434 14.167 11.243 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.712 13.228 12.051 1.00 0.00 H new ATOM 1408 N ASP A 92 -5.919 14.492 8.998 1.00 0.00 N ATOM 1409 CA ASP A 92 -5.423 15.612 8.208 1.00 0.00 C ATOM 1410 C ASP A 92 -3.943 15.437 7.884 1.00 0.00 C ATOM 1411 O ASP A 92 -3.542 15.488 6.721 1.00 0.00 O ATOM 1412 CB ASP A 92 -5.642 16.929 8.956 1.00 0.00 C ATOM 1413 CG ASP A 92 -7.103 17.327 9.012 1.00 0.00 C ATOM 1414 OD1 ASP A 92 -7.850 16.730 9.816 1.00 0.00 O ATOM 1415 OD2 ASP A 92 -7.500 18.235 8.254 1.00 0.00 O ATOM 0 H ASP A 92 -6.450 14.762 9.826 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.980 15.638 7.272 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.255 16.836 9.971 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.072 17.720 8.468 1.00 0.00 H new ATOM 1420 N GLN A 93 -3.136 15.230 8.920 1.00 0.00 N ATOM 1421 CA GLN A 93 -1.700 15.048 8.745 1.00 0.00 C ATOM 1422 C GLN A 93 -1.195 13.873 9.576 1.00 0.00 C ATOM 1423 O GLN A 93 -0.738 14.034 10.708 1.00 0.00 O ATOM 1424 CB GLN A 93 -0.952 16.324 9.136 1.00 0.00 C ATOM 1425 CG GLN A 93 -1.318 17.530 8.285 1.00 0.00 C ATOM 1426 CD GLN A 93 -0.949 18.844 8.945 1.00 0.00 C ATOM 1427 OE1 GLN A 93 -0.597 18.882 10.125 1.00 0.00 O ATOM 1428 NE2 GLN A 93 -1.025 19.930 8.185 1.00 0.00 N ATOM 0 H GLN A 93 -3.452 15.184 9.889 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.512 14.833 7.693 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.160 16.551 10.182 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.120 16.145 9.056 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -0.813 17.457 7.322 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.389 17.517 8.085 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.322 19.852 7.212 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.787 20.842 8.574 1.00 0.00 H new ATOM 1437 N PRO A 94 -1.278 12.664 9.002 1.00 0.00 N ATOM 1438 CA PRO A 94 -0.833 11.438 9.673 1.00 0.00 C ATOM 1439 C PRO A 94 0.684 11.374 9.817 1.00 0.00 C ATOM 1440 O PRO A 94 1.382 12.356 9.569 1.00 0.00 O ATOM 1441 CB PRO A 94 -1.330 10.327 8.744 1.00 0.00 C ATOM 1442 CG PRO A 94 -1.426 10.968 7.403 1.00 0.00 C ATOM 1443 CD PRO A 94 -1.812 12.400 7.656 1.00 0.00 C ATOM 0 HA PRO A 94 -1.218 11.366 10.690 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.640 9.484 8.731 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -2.297 9.942 9.069 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.476 10.908 6.873 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.169 10.467 6.783 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.379 13.070 6.913 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.893 12.538 7.618 1.00 0.00 H new ATOM 1451 N ASP A 95 1.185 10.212 10.220 1.00 0.00 N ATOM 1452 CA ASP A 95 2.621 10.019 10.396 1.00 0.00 C ATOM 1453 C ASP A 95 3.219 9.275 9.207 1.00 0.00 C ATOM 1454 O ASP A 95 3.156 8.048 9.134 1.00 0.00 O ATOM 1455 CB ASP A 95 2.899 9.249 11.688 1.00 0.00 C ATOM 1456 CG ASP A 95 3.058 10.165 12.886 1.00 0.00 C ATOM 1457 OD1 ASP A 95 3.976 11.011 12.867 1.00 0.00 O ATOM 1458 OD2 ASP A 95 2.265 10.035 13.840 1.00 0.00 O ATOM 0 H ASP A 95 0.620 9.390 10.431 1.00 0.00 H new ATOM 0 HA ASP A 95 3.090 11.001 10.460 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.083 8.551 11.874 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.805 8.655 11.566 1.00 0.00 H new ATOM 1463 N GLU A 96 3.798 10.027 8.276 1.00 0.00 N ATOM 1464 CA GLU A 96 4.406 9.437 7.088 1.00 0.00 C ATOM 1465 C GLU A 96 5.338 8.290 7.467 1.00 0.00 C ATOM 1466 O GLU A 96 5.438 7.294 6.750 1.00 0.00 O ATOM 1467 CB GLU A 96 5.179 10.499 6.303 1.00 0.00 C ATOM 1468 CG GLU A 96 6.301 11.146 7.098 1.00 0.00 C ATOM 1469 CD GLU A 96 5.786 12.068 8.187 1.00 0.00 C ATOM 1470 OE1 GLU A 96 5.155 13.090 7.851 1.00 0.00 O ATOM 1471 OE2 GLU A 96 6.017 11.765 9.378 1.00 0.00 O ATOM 0 H GLU A 96 3.859 11.044 8.321 1.00 0.00 H new ATOM 0 HA GLU A 96 3.607 9.041 6.460 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.597 10.043 5.406 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.485 11.273 5.974 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.919 10.368 7.547 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.942 11.711 6.421 1.00 0.00 H new ATOM 1478 N LYS A 97 6.018 8.436 8.598 1.00 0.00 N ATOM 1479 CA LYS A 97 6.942 7.413 9.074 1.00 0.00 C ATOM 1480 C LYS A 97 6.187 6.168 9.527 1.00 0.00 C ATOM 1481 O LYS A 97 6.681 5.048 9.389 1.00 0.00 O ATOM 1482 CB LYS A 97 7.787 7.957 10.228 1.00 0.00 C ATOM 1483 CG LYS A 97 8.517 9.247 9.893 1.00 0.00 C ATOM 1484 CD LYS A 97 9.904 8.973 9.337 1.00 0.00 C ATOM 1485 CE LYS A 97 9.889 8.882 7.819 1.00 0.00 C ATOM 1486 NZ LYS A 97 11.202 8.437 7.277 1.00 0.00 N ATOM 0 H LYS A 97 5.947 9.254 9.203 1.00 0.00 H new ATOM 0 HA LYS A 97 7.599 7.139 8.248 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.142 8.128 11.090 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.517 7.202 10.520 1.00 0.00 H new ATOM 0 HG2 LYS A 97 7.938 9.816 9.165 1.00 0.00 H new ATOM 0 HG3 LYS A 97 8.598 9.864 10.788 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.585 9.765 9.648 1.00 0.00 H new ATOM 0 HD3 LYS A 97 10.287 8.042 9.754 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.112 8.186 7.505 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.634 9.855 7.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.151 8.388 6.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 11.940 9.115 7.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.434 7.497 7.657 1.00 0.00 H new ATOM 1500 N SER A 98 4.988 6.369 10.064 1.00 0.00 N ATOM 1501 CA SER A 98 4.167 5.261 10.538 1.00 0.00 C ATOM 1502 C SER A 98 3.521 4.524 9.369 1.00 0.00 C ATOM 1503 O SER A 98 3.052 3.395 9.514 1.00 0.00 O ATOM 1504 CB SER A 98 3.087 5.773 11.493 1.00 0.00 C ATOM 1505 OG SER A 98 3.651 6.187 12.725 1.00 0.00 O ATOM 0 H SER A 98 4.563 7.289 10.182 1.00 0.00 H new ATOM 0 HA SER A 98 4.813 4.564 11.071 1.00 0.00 H new ATOM 0 HB2 SER A 98 2.557 6.607 11.034 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.353 4.988 11.671 1.00 0.00 H new ATOM 0 HG SER A 98 2.941 6.512 13.317 1.00 0.00 H new ATOM 1511 N ILE A 99 3.501 5.172 8.208 1.00 0.00 N ATOM 1512 CA ILE A 99 2.913 4.579 7.013 1.00 0.00 C ATOM 1513 C ILE A 99 3.987 3.975 6.115 1.00 0.00 C ATOM 1514 O ILE A 99 3.942 2.788 5.789 1.00 0.00 O ATOM 1515 CB ILE A 99 2.110 5.616 6.206 1.00 0.00 C ATOM 1516 CG1 ILE A 99 0.995 6.213 7.068 1.00 0.00 C ATOM 1517 CG2 ILE A 99 1.533 4.980 4.951 1.00 0.00 C ATOM 1518 CD1 ILE A 99 0.461 7.526 6.541 1.00 0.00 C ATOM 0 H ILE A 99 3.885 6.107 8.070 1.00 0.00 H new ATOM 0 HA ILE A 99 2.239 3.792 7.350 1.00 0.00 H new ATOM 0 HB ILE A 99 2.782 6.420 5.906 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.176 5.497 7.134 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.370 6.363 8.080 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.968 5.726 4.392 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.344 4.599 4.331 1.00 0.00 H new ATOM 0 HG23 ILE A 99 0.873 4.159 5.230 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.326 7.890 7.202 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.268 8.257 6.501 1.00 0.00 H new ATOM 0 HD13 ILE A 99 0.055 7.378 5.540 1.00 0.00 H new ATOM 1530 N ILE A 100 4.952 4.797 5.719 1.00 0.00 N ATOM 1531 CA ILE A 100 6.040 4.343 4.862 1.00 0.00 C ATOM 1532 C ILE A 100 6.539 2.967 5.290 1.00 0.00 C ATOM 1533 O ILE A 100 6.859 2.122 4.454 1.00 0.00 O ATOM 1534 CB ILE A 100 7.219 5.333 4.877 1.00 0.00 C ATOM 1535 CG1 ILE A 100 6.802 6.667 4.255 1.00 0.00 C ATOM 1536 CG2 ILE A 100 8.412 4.746 4.135 1.00 0.00 C ATOM 1537 CD1 ILE A 100 7.588 7.849 4.779 1.00 0.00 C ATOM 0 H ILE A 100 5.003 5.782 5.978 1.00 0.00 H new ATOM 0 HA ILE A 100 5.641 4.283 3.850 1.00 0.00 H new ATOM 0 HB ILE A 100 7.511 5.512 5.912 1.00 0.00 H new ATOM 0 HG12 ILE A 100 6.926 6.609 3.174 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.742 6.832 4.446 1.00 0.00 H new ATOM 0 HG21 ILE A 100 9.238 5.457 4.154 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.720 3.819 4.618 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.133 4.541 3.101 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.240 8.761 4.295 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.445 7.933 5.856 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.647 7.706 4.564 1.00 0.00 H new ATOM 1549 N THR A 101 6.603 2.748 6.600 1.00 0.00 N ATOM 1550 CA THR A 101 7.062 1.474 7.140 1.00 0.00 C ATOM 1551 C THR A 101 6.095 0.349 6.793 1.00 0.00 C ATOM 1552 O THR A 101 6.507 -0.724 6.352 1.00 0.00 O ATOM 1553 CB THR A 101 7.229 1.540 8.670 1.00 0.00 C ATOM 1554 OG1 THR A 101 7.993 2.696 9.030 1.00 0.00 O ATOM 1555 CG2 THR A 101 7.914 0.288 9.194 1.00 0.00 C ATOM 0 H THR A 101 6.343 3.436 7.306 1.00 0.00 H new ATOM 0 HA THR A 101 8.031 1.269 6.685 1.00 0.00 H new ATOM 0 HB THR A 101 6.238 1.607 9.119 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.390 3.456 9.171 1.00 0.00 H new ATOM 0 HG21 THR A 101 8.021 0.358 10.277 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.314 -0.587 8.944 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.899 0.194 8.737 1.00 0.00 H new ATOM 1563 N TYR A 102 4.806 0.600 6.995 1.00 0.00 N ATOM 1564 CA TYR A 102 3.779 -0.394 6.704 1.00 0.00 C ATOM 1565 C TYR A 102 3.749 -0.727 5.216 1.00 0.00 C ATOM 1566 O TYR A 102 3.919 -1.881 4.822 1.00 0.00 O ATOM 1567 CB TYR A 102 2.407 0.113 7.153 1.00 0.00 C ATOM 1568 CG TYR A 102 1.283 -0.859 6.877 1.00 0.00 C ATOM 1569 CD1 TYR A 102 0.636 -0.873 5.647 1.00 0.00 C ATOM 1570 CD2 TYR A 102 0.866 -1.763 7.846 1.00 0.00 C ATOM 1571 CE1 TYR A 102 -0.392 -1.758 5.391 1.00 0.00 C ATOM 1572 CE2 TYR A 102 -0.161 -2.653 7.598 1.00 0.00 C ATOM 1573 CZ TYR A 102 -0.787 -2.647 6.369 1.00 0.00 C ATOM 1574 OH TYR A 102 -1.811 -3.531 6.118 1.00 0.00 O ATOM 0 H TYR A 102 4.447 1.483 7.359 1.00 0.00 H new ATOM 0 HA TYR A 102 4.022 -1.302 7.256 1.00 0.00 H new ATOM 0 HB2 TYR A 102 2.439 0.325 8.222 1.00 0.00 H new ATOM 0 HB3 TYR A 102 2.194 1.055 6.648 1.00 0.00 H new ATOM 0 HD1 TYR A 102 0.943 -0.179 4.878 1.00 0.00 H new ATOM 0 HD2 TYR A 102 1.353 -1.770 8.810 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.885 -1.754 4.430 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.472 -3.350 8.362 1.00 0.00 H new ATOM 0 HH TYR A 102 -1.964 -4.087 6.910 1.00 0.00 H new ATOM 1584 N VAL A 103 3.531 0.293 4.392 1.00 0.00 N ATOM 1585 CA VAL A 103 3.480 0.110 2.946 1.00 0.00 C ATOM 1586 C VAL A 103 4.683 -0.683 2.450 1.00 0.00 C ATOM 1587 O VAL A 103 4.578 -1.463 1.503 1.00 0.00 O ATOM 1588 CB VAL A 103 3.432 1.463 2.211 1.00 0.00 C ATOM 1589 CG1 VAL A 103 4.623 2.325 2.601 1.00 0.00 C ATOM 1590 CG2 VAL A 103 3.388 1.249 0.705 1.00 0.00 C ATOM 0 H VAL A 103 3.387 1.254 4.701 1.00 0.00 H new ATOM 0 HA VAL A 103 2.568 -0.446 2.729 1.00 0.00 H new ATOM 0 HB VAL A 103 2.523 1.986 2.507 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.572 3.277 2.072 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.605 2.506 3.676 1.00 0.00 H new ATOM 0 HG13 VAL A 103 5.547 1.811 2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.354 2.215 0.201 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.278 0.705 0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.500 0.673 0.445 1.00 0.00 H new ATOM 1600 N ALA A 104 5.827 -0.481 3.096 1.00 0.00 N ATOM 1601 CA ALA A 104 7.050 -1.179 2.721 1.00 0.00 C ATOM 1602 C ALA A 104 6.823 -2.685 2.654 1.00 0.00 C ATOM 1603 O ALA A 104 7.463 -3.386 1.870 1.00 0.00 O ATOM 1604 CB ALA A 104 8.165 -0.855 3.705 1.00 0.00 C ATOM 0 H ALA A 104 5.932 0.161 3.882 1.00 0.00 H new ATOM 0 HA ALA A 104 7.345 -0.837 1.729 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.073 -1.383 3.413 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.353 0.219 3.702 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.869 -1.168 4.706 1.00 0.00 H new ATOM 1610 N THR A 105 5.908 -3.179 3.482 1.00 0.00 N ATOM 1611 CA THR A 105 5.598 -4.603 3.518 1.00 0.00 C ATOM 1612 C THR A 105 4.985 -5.066 2.201 1.00 0.00 C ATOM 1613 O THR A 105 5.282 -6.157 1.717 1.00 0.00 O ATOM 1614 CB THR A 105 4.630 -4.938 4.668 1.00 0.00 C ATOM 1615 OG1 THR A 105 3.302 -4.526 4.326 1.00 0.00 O ATOM 1616 CG2 THR A 105 5.063 -4.256 5.957 1.00 0.00 C ATOM 0 H THR A 105 5.368 -2.613 4.137 1.00 0.00 H new ATOM 0 HA THR A 105 6.540 -5.127 3.681 1.00 0.00 H new ATOM 0 HB THR A 105 4.646 -6.017 4.824 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.222 -3.556 4.436 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.364 -4.508 6.754 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.062 -4.595 6.230 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.074 -3.176 5.811 1.00 0.00 H new ATOM 1624 N TYR A 106 4.130 -4.228 1.627 1.00 0.00 N ATOM 1625 CA TYR A 106 3.473 -4.553 0.365 1.00 0.00 C ATOM 1626 C TYR A 106 4.499 -4.794 -0.737 1.00 0.00 C ATOM 1627 O TYR A 106 4.336 -5.687 -1.570 1.00 0.00 O ATOM 1628 CB TYR A 106 2.524 -3.425 -0.045 1.00 0.00 C ATOM 1629 CG TYR A 106 1.199 -3.455 0.681 1.00 0.00 C ATOM 1630 CD1 TYR A 106 1.098 -3.981 1.964 1.00 0.00 C ATOM 1631 CD2 TYR A 106 0.046 -2.958 0.085 1.00 0.00 C ATOM 1632 CE1 TYR A 106 -0.111 -4.010 2.631 1.00 0.00 C ATOM 1633 CE2 TYR A 106 -1.167 -2.983 0.745 1.00 0.00 C ATOM 1634 CZ TYR A 106 -1.240 -3.510 2.018 1.00 0.00 C ATOM 1635 OH TYR A 106 -2.448 -3.538 2.678 1.00 0.00 O ATOM 0 H TYR A 106 3.875 -3.319 2.014 1.00 0.00 H new ATOM 0 HA TYR A 106 2.899 -5.468 0.509 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.010 -2.467 0.142 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.342 -3.486 -1.118 1.00 0.00 H new ATOM 0 HD1 TYR A 106 1.980 -4.374 2.447 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.099 -2.545 -0.912 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.172 -4.422 3.627 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -2.053 -2.592 0.267 1.00 0.00 H new ATOM 0 HH TYR A 106 -3.142 -3.146 2.107 1.00 0.00 H new ATOM 1645 N TYR A 107 5.560 -3.994 -0.735 1.00 0.00 N ATOM 1646 CA TYR A 107 6.613 -4.118 -1.734 1.00 0.00 C ATOM 1647 C TYR A 107 7.454 -5.367 -1.488 1.00 0.00 C ATOM 1648 O TYR A 107 7.570 -6.234 -2.355 1.00 0.00 O ATOM 1649 CB TYR A 107 7.508 -2.878 -1.721 1.00 0.00 C ATOM 1650 CG TYR A 107 8.896 -3.125 -2.268 1.00 0.00 C ATOM 1651 CD1 TYR A 107 9.136 -3.124 -3.636 1.00 0.00 C ATOM 1652 CD2 TYR A 107 9.967 -3.360 -1.415 1.00 0.00 C ATOM 1653 CE1 TYR A 107 10.402 -3.350 -4.140 1.00 0.00 C ATOM 1654 CE2 TYR A 107 11.237 -3.585 -1.909 1.00 0.00 C ATOM 1655 CZ TYR A 107 11.450 -3.580 -3.272 1.00 0.00 C ATOM 1656 OH TYR A 107 12.712 -3.805 -3.769 1.00 0.00 O ATOM 0 H TYR A 107 5.713 -3.252 -0.052 1.00 0.00 H new ATOM 0 HA TYR A 107 6.140 -4.206 -2.712 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.032 -2.091 -2.305 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.590 -2.511 -0.698 1.00 0.00 H new ATOM 0 HD1 TYR A 107 8.318 -2.943 -4.318 1.00 0.00 H new ATOM 0 HD2 TYR A 107 9.804 -3.367 -0.347 1.00 0.00 H new ATOM 0 HE1 TYR A 107 10.571 -3.347 -5.207 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.059 -3.764 -1.232 1.00 0.00 H new ATOM 0 HH TYR A 107 13.335 -3.948 -3.026 1.00 0.00 H new ATOM 1666 N HIS A 108 8.039 -5.453 -0.298 1.00 0.00 N ATOM 1667 CA HIS A 108 8.869 -6.596 0.067 1.00 0.00 C ATOM 1668 C HIS A 108 8.141 -7.907 -0.215 1.00 0.00 C ATOM 1669 O HIS A 108 8.577 -8.705 -1.045 1.00 0.00 O ATOM 1670 CB HIS A 108 9.257 -6.522 1.544 1.00 0.00 C ATOM 1671 CG HIS A 108 10.495 -5.718 1.798 1.00 0.00 C ATOM 1672 ND1 HIS A 108 11.752 -6.279 1.878 1.00 0.00 N ATOM 1673 CD2 HIS A 108 10.665 -4.389 1.988 1.00 0.00 C ATOM 1674 CE1 HIS A 108 12.641 -5.330 2.109 1.00 0.00 C ATOM 1675 NE2 HIS A 108 12.007 -4.173 2.180 1.00 0.00 N ATOM 0 H HIS A 108 7.954 -4.744 0.431 1.00 0.00 H new ATOM 0 HA HIS A 108 9.774 -6.565 -0.540 1.00 0.00 H new ATOM 0 HB2 HIS A 108 8.430 -6.089 2.107 1.00 0.00 H new ATOM 0 HB3 HIS A 108 9.406 -7.533 1.923 1.00 0.00 H new ATOM 0 HD2 HIS A 108 9.889 -3.638 1.988 1.00 0.00 H new ATOM 0 HE1 HIS A 108 13.705 -5.475 2.221 1.00 0.00 H new ATOM 0 HE2 HIS A 108 12.444 -3.267 2.350 1.00 0.00 H new ATOM 1684 N TYR A 109 7.031 -8.122 0.482 1.00 0.00 N ATOM 1685 CA TYR A 109 6.244 -9.339 0.308 1.00 0.00 C ATOM 1686 C TYR A 109 6.185 -9.745 -1.160 1.00 0.00 C ATOM 1687 O TYR A 109 6.728 -10.777 -1.553 1.00 0.00 O ATOM 1688 CB TYR A 109 4.828 -9.136 0.851 1.00 0.00 C ATOM 1689 CG TYR A 109 3.846 -10.187 0.385 1.00 0.00 C ATOM 1690 CD1 TYR A 109 3.771 -11.424 1.013 1.00 0.00 C ATOM 1691 CD2 TYR A 109 2.990 -9.941 -0.683 1.00 0.00 C ATOM 1692 CE1 TYR A 109 2.875 -12.386 0.590 1.00 0.00 C ATOM 1693 CE2 TYR A 109 2.091 -10.898 -1.112 1.00 0.00 C ATOM 1694 CZ TYR A 109 2.037 -12.119 -0.473 1.00 0.00 C ATOM 1695 OH TYR A 109 1.142 -13.075 -0.896 1.00 0.00 O ATOM 0 H TYR A 109 6.656 -7.471 1.172 1.00 0.00 H new ATOM 0 HA TYR A 109 6.730 -10.139 0.867 1.00 0.00 H new ATOM 0 HB2 TYR A 109 4.861 -9.139 1.940 1.00 0.00 H new ATOM 0 HB3 TYR A 109 4.468 -8.153 0.546 1.00 0.00 H new ATOM 0 HD1 TYR A 109 4.424 -11.637 1.846 1.00 0.00 H new ATOM 0 HD2 TYR A 109 3.029 -8.986 -1.185 1.00 0.00 H new ATOM 0 HE1 TYR A 109 2.830 -13.343 1.089 1.00 0.00 H new ATOM 0 HE2 TYR A 109 1.434 -10.691 -1.944 1.00 0.00 H new ATOM 0 HH TYR A 109 0.626 -12.728 -1.653 1.00 0.00 H new ATOM 1705 N PHE A 110 5.522 -8.924 -1.969 1.00 0.00 N ATOM 1706 CA PHE A 110 5.391 -9.196 -3.395 1.00 0.00 C ATOM 1707 C PHE A 110 6.755 -9.455 -4.027 1.00 0.00 C ATOM 1708 O PHE A 110 6.897 -10.323 -4.889 1.00 0.00 O ATOM 1709 CB PHE A 110 4.704 -8.024 -4.099 1.00 0.00 C ATOM 1710 CG PHE A 110 3.208 -8.148 -4.150 1.00 0.00 C ATOM 1711 CD1 PHE A 110 2.611 -9.256 -4.728 1.00 0.00 C ATOM 1712 CD2 PHE A 110 2.399 -7.156 -3.619 1.00 0.00 C ATOM 1713 CE1 PHE A 110 1.235 -9.372 -4.778 1.00 0.00 C ATOM 1714 CE2 PHE A 110 1.022 -7.267 -3.665 1.00 0.00 C ATOM 1715 CZ PHE A 110 0.440 -8.378 -4.243 1.00 0.00 C ATOM 0 H PHE A 110 5.067 -8.065 -1.660 1.00 0.00 H new ATOM 0 HA PHE A 110 4.780 -10.091 -3.514 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.966 -7.099 -3.586 1.00 0.00 H new ATOM 0 HB3 PHE A 110 5.089 -7.945 -5.116 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.228 -10.038 -5.144 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.850 -6.286 -3.164 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.782 -10.239 -5.235 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.402 -6.486 -3.250 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.636 -8.469 -4.276 1.00 0.00 H new ATOM 1725 N SER A 111 7.755 -8.695 -3.593 1.00 0.00 N ATOM 1726 CA SER A 111 9.108 -8.838 -4.120 1.00 0.00 C ATOM 1727 C SER A 111 9.634 -10.251 -3.888 1.00 0.00 C ATOM 1728 O SER A 111 10.159 -10.888 -4.802 1.00 0.00 O ATOM 1729 CB SER A 111 10.043 -7.820 -3.464 1.00 0.00 C ATOM 1730 OG SER A 111 11.230 -7.656 -4.221 1.00 0.00 O ATOM 0 H SER A 111 7.655 -7.974 -2.878 1.00 0.00 H new ATOM 0 HA SER A 111 9.075 -8.652 -5.194 1.00 0.00 H new ATOM 0 HB2 SER A 111 9.533 -6.861 -3.369 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.294 -8.149 -2.455 1.00 0.00 H new ATOM 0 HG SER A 111 11.810 -6.999 -3.782 1.00 0.00 H new ATOM 1736 N LYS A 112 9.490 -10.736 -2.660 1.00 0.00 N ATOM 1737 CA LYS A 112 9.948 -12.074 -2.306 1.00 0.00 C ATOM 1738 C LYS A 112 9.456 -13.103 -3.317 1.00 0.00 C ATOM 1739 O LYS A 112 10.252 -13.802 -3.943 1.00 0.00 O ATOM 1740 CB LYS A 112 9.461 -12.447 -0.904 1.00 0.00 C ATOM 1741 CG LYS A 112 9.993 -11.536 0.188 1.00 0.00 C ATOM 1742 CD LYS A 112 11.379 -11.960 0.644 1.00 0.00 C ATOM 1743 CE LYS A 112 11.313 -13.131 1.613 1.00 0.00 C ATOM 1744 NZ LYS A 112 12.669 -13.566 2.049 1.00 0.00 N ATOM 0 H LYS A 112 9.059 -10.222 -1.892 1.00 0.00 H new ATOM 0 HA LYS A 112 11.038 -12.073 -2.317 1.00 0.00 H new ATOM 0 HB2 LYS A 112 8.371 -12.421 -0.888 1.00 0.00 H new ATOM 0 HB3 LYS A 112 9.758 -13.473 -0.686 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.028 -10.510 -0.178 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.310 -11.548 1.038 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.979 -12.237 -0.223 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.879 -11.118 1.123 1.00 0.00 H new ATOM 0 HE2 LYS A 112 10.724 -12.848 2.486 1.00 0.00 H new ATOM 0 HE3 LYS A 112 10.798 -13.967 1.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.582 -14.366 2.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 13.223 -13.860 1.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 13.151 -12.776 2.524 1.00 0.00 H new