USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 591 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 39 CYS SG : rot 79:sc= 0.827 USER MOD Set 1.2: A 41 HIS : no HD1:sc= -4.88! C(o=-3.2!,f=-12!) USER MOD Set 1.3: A 114 CYS SG : rot 150:sc= 0.829 USER MOD Set 1.4: A 117 CYS SG : rot 122:sc= 0.0495 USER MOD Set 2.1: A 106 ASN : amide:sc= -1.66 K(o=-1.7,f=-8.5!) USER MOD Set 2.2: A 109 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 74 CYS SG : rot 88:sc= -0.913 USER MOD Set 3.2: A 79 CYS SG : rot -152:sc= -0.106 USER MOD Set 3.3: A 95 HIS : no HE2:sc= -1.49 K(o=-6.2,f=-7) USER MOD Set 3.4: A 99 THR OG1 : rot 157:sc= -0.0302 USER MOD Set 3.5: A 101 HIS : no HE2:sc= -3.65! K(o=-6.2!,f=-11) USER MOD Set 4.1: A 96 SER OG : rot -169:sc= -1.33 USER MOD Set 4.2: A 97 GLN : amide:sc= -7.27! C(o=-8.6!,f=-12!) USER MOD Set 5.1: A 93 THR OG1 : rot -13:sc= 0.209 USER MOD Set 5.2: A 115 TYR OH : rot -140:sc= -0.38 USER MOD Set 6.1: A 61 CYS SG : rot 146:sc= -0.531 USER MOD Set 6.2: A 64 CYS SG : rot -32:sc= 0.122 USER MOD Set 6.3: A 84 CYS SG : rot 180:sc= -0.608 USER MOD Set 6.4: A 91 HIS : no HE2:sc= -1.07 K(o=-2.1,f=-6.8!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.936 X(o=-0.94,f=-0.96) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 2:sc= 0.125 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -5.32! C(o=-5.3!,f=-9.5!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.34 K(o=-0.34,f=-1) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.05 X(o=-0.05,f=0) USER MOD Single : A 92 SER OG : rot 160:sc= -0.178 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 120:sc= -0.909 USER MOD Single : A 108 THR OG1 : rot -117:sc= 0.479 USER MOD Single : A 118 SER OG : rot 180:sc= -0.289 USER MOD Single : A 119 LYS NZ :NH3+ -142:sc= 1.18 (180deg=-0.41) USER MOD ----------------------------------------------------------------- ATOM 59 N CYS A 39 16.092 0.394 4.017 1.00 0.00 N ATOM 60 CA CYS A 39 15.685 -0.690 3.131 1.00 0.00 C ATOM 61 C CYS A 39 15.675 -0.217 1.671 1.00 0.00 C ATOM 62 O CYS A 39 15.192 0.875 1.366 1.00 0.00 O ATOM 63 CB CYS A 39 14.307 -1.224 3.552 1.00 0.00 C ATOM 64 SG CYS A 39 13.253 -1.787 2.192 1.00 0.00 S ATOM 0 HA CYS A 39 16.406 -1.503 3.211 1.00 0.00 H new ATOM 0 HB2 CYS A 39 14.452 -2.052 4.246 1.00 0.00 H new ATOM 0 HB3 CYS A 39 13.782 -0.440 4.097 1.00 0.00 H new ATOM 0 HG CYS A 39 13.630 -2.972 1.813 1.00 0.00 H new ATOM 69 N PRO A 40 16.214 -1.039 0.752 1.00 0.00 N ATOM 70 CA PRO A 40 16.275 -0.702 -0.678 1.00 0.00 C ATOM 71 C PRO A 40 14.903 -0.680 -1.346 1.00 0.00 C ATOM 72 O PRO A 40 14.592 0.232 -2.112 1.00 0.00 O ATOM 73 CB PRO A 40 17.134 -1.822 -1.270 1.00 0.00 C ATOM 74 CG PRO A 40 16.962 -2.966 -0.333 1.00 0.00 C ATOM 75 CD PRO A 40 16.814 -2.357 1.032 1.00 0.00 C ATOM 0 HA PRO A 40 16.676 0.299 -0.835 1.00 0.00 H new ATOM 0 HB2 PRO A 40 16.807 -2.082 -2.277 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.180 -1.523 -1.342 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.085 -3.557 -0.595 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.821 -3.636 -0.372 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.175 -2.962 1.675 1.00 0.00 H new ATOM 0 HD3 PRO A 40 17.775 -2.262 1.537 1.00 0.00 H new ATOM 83 N HIS A 41 14.090 -1.694 -1.062 1.00 0.00 N ATOM 84 CA HIS A 41 12.756 -1.799 -1.644 1.00 0.00 C ATOM 85 C HIS A 41 12.004 -0.469 -1.563 1.00 0.00 C ATOM 86 O HIS A 41 11.542 0.056 -2.576 1.00 0.00 O ATOM 87 CB HIS A 41 11.964 -2.902 -0.939 1.00 0.00 C ATOM 88 CG HIS A 41 12.746 -4.167 -0.742 1.00 0.00 C ATOM 89 ND1 HIS A 41 13.206 -4.542 0.498 1.00 0.00 N ATOM 90 CD2 HIS A 41 13.122 -5.098 -1.653 1.00 0.00 C ATOM 91 CE1 HIS A 41 13.848 -5.682 0.317 1.00 0.00 C ATOM 92 NE2 HIS A 41 13.824 -6.058 -0.971 1.00 0.00 N ATOM 0 H HIS A 41 14.333 -2.457 -0.430 1.00 0.00 H new ATOM 0 HA HIS A 41 12.866 -2.053 -2.698 1.00 0.00 H new ATOM 0 HB2 HIS A 41 11.631 -2.535 0.032 1.00 0.00 H new ATOM 0 HB3 HIS A 41 11.069 -3.124 -1.520 1.00 0.00 H new ATOM 0 HD2 HIS A 41 12.909 -5.086 -2.712 1.00 0.00 H new ATOM 0 HE1 HIS A 41 14.331 -6.240 1.105 1.00 0.00 H new ATOM 0 HE2 HIS A 41 14.247 -6.897 -1.367 1.00 0.00 H new ATOM 100 N LEU A 42 11.889 0.071 -0.355 1.00 0.00 N ATOM 101 CA LEU A 42 11.200 1.338 -0.142 1.00 0.00 C ATOM 102 C LEU A 42 12.052 2.508 -0.629 1.00 0.00 C ATOM 103 O LEU A 42 11.533 3.483 -1.175 1.00 0.00 O ATOM 104 CB LEU A 42 10.865 1.520 1.339 1.00 0.00 C ATOM 105 CG LEU A 42 12.066 1.482 2.285 1.00 0.00 C ATOM 106 CD1 LEU A 42 12.624 2.881 2.495 1.00 0.00 C ATOM 107 CD2 LEU A 42 11.674 0.855 3.616 1.00 0.00 C ATOM 0 H LEU A 42 12.265 -0.351 0.494 1.00 0.00 H new ATOM 0 HA LEU A 42 10.274 1.320 -0.717 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.353 2.474 1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.164 0.740 1.635 1.00 0.00 H new ATOM 0 HG LEU A 42 12.844 0.868 1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 42 13.478 2.834 3.171 1.00 0.00 H new ATOM 0 HD12 LEU A 42 12.941 3.294 1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.853 3.519 2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.540 0.835 4.278 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.879 1.443 4.075 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.322 -0.163 3.449 1.00 0.00 H new ATOM 119 N ASP A 43 13.361 2.407 -0.425 1.00 0.00 N ATOM 120 CA ASP A 43 14.284 3.457 -0.843 1.00 0.00 C ATOM 121 C ASP A 43 14.178 3.728 -2.343 1.00 0.00 C ATOM 122 O ASP A 43 14.560 4.798 -2.816 1.00 0.00 O ATOM 123 CB ASP A 43 15.721 3.071 -0.484 1.00 0.00 C ATOM 124 CG ASP A 43 16.716 4.163 -0.828 1.00 0.00 C ATOM 125 OD1 ASP A 43 17.892 3.832 -1.092 1.00 0.00 O ATOM 126 OD2 ASP A 43 16.321 5.347 -0.834 1.00 0.00 O ATOM 0 H ASP A 43 13.807 1.609 0.027 1.00 0.00 H new ATOM 0 HA ASP A 43 14.012 4.370 -0.314 1.00 0.00 H new ATOM 0 HB2 ASP A 43 15.780 2.852 0.582 1.00 0.00 H new ATOM 0 HB3 ASP A 43 15.992 2.157 -1.012 1.00 0.00 H new ATOM 131 N SER A 44 13.668 2.752 -3.090 1.00 0.00 N ATOM 132 CA SER A 44 13.528 2.891 -4.536 1.00 0.00 C ATOM 133 C SER A 44 12.236 3.614 -4.904 1.00 0.00 C ATOM 134 O SER A 44 12.228 4.479 -5.780 1.00 0.00 O ATOM 135 CB SER A 44 13.560 1.514 -5.203 1.00 0.00 C ATOM 136 OG SER A 44 14.225 1.569 -6.454 1.00 0.00 O ATOM 0 H SER A 44 13.346 1.858 -2.718 1.00 0.00 H new ATOM 0 HA SER A 44 14.365 3.489 -4.896 1.00 0.00 H new ATOM 0 HB2 SER A 44 14.065 0.802 -4.550 1.00 0.00 H new ATOM 0 HB3 SER A 44 12.542 1.151 -5.344 1.00 0.00 H new ATOM 0 HG SER A 44 14.234 0.677 -6.859 1.00 0.00 H new ATOM 142 N VAL A 45 11.145 3.256 -4.235 1.00 0.00 N ATOM 143 CA VAL A 45 9.851 3.873 -4.502 1.00 0.00 C ATOM 144 C VAL A 45 9.825 5.328 -4.044 1.00 0.00 C ATOM 145 O VAL A 45 10.824 5.854 -3.553 1.00 0.00 O ATOM 146 CB VAL A 45 8.706 3.107 -3.812 1.00 0.00 C ATOM 147 CG1 VAL A 45 8.661 1.665 -4.292 1.00 0.00 C ATOM 148 CG2 VAL A 45 8.855 3.163 -2.299 1.00 0.00 C ATOM 0 H VAL A 45 11.131 2.543 -3.505 1.00 0.00 H new ATOM 0 HA VAL A 45 9.704 3.834 -5.581 1.00 0.00 H new ATOM 0 HB VAL A 45 7.765 3.588 -4.080 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.846 1.141 -3.793 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.499 1.645 -5.370 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.605 1.174 -4.058 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.036 2.616 -1.832 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.804 2.712 -2.010 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.832 4.202 -1.969 1.00 0.00 H new ATOM 158 N GLY A 46 8.674 5.974 -4.207 1.00 0.00 N ATOM 159 CA GLY A 46 8.537 7.362 -3.804 1.00 0.00 C ATOM 160 C GLY A 46 7.362 7.581 -2.872 1.00 0.00 C ATOM 161 O GLY A 46 6.882 6.644 -2.235 1.00 0.00 O ATOM 0 H GLY A 46 7.834 5.561 -4.611 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.453 7.686 -3.311 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.415 7.984 -4.691 1.00 0.00 H new ATOM 165 N GLU A 47 6.897 8.825 -2.791 1.00 0.00 N ATOM 166 CA GLU A 47 5.772 9.167 -1.929 1.00 0.00 C ATOM 167 C GLU A 47 4.575 9.633 -2.753 1.00 0.00 C ATOM 168 O GLU A 47 4.737 10.234 -3.816 1.00 0.00 O ATOM 169 CB GLU A 47 6.177 10.257 -0.936 1.00 0.00 C ATOM 170 CG GLU A 47 5.551 10.091 0.440 1.00 0.00 C ATOM 171 CD GLU A 47 6.201 10.974 1.487 1.00 0.00 C ATOM 172 OE1 GLU A 47 6.565 10.452 2.562 1.00 0.00 O ATOM 173 OE2 GLU A 47 6.346 12.187 1.232 1.00 0.00 O ATOM 0 H GLU A 47 7.283 9.612 -3.312 1.00 0.00 H new ATOM 0 HA GLU A 47 5.484 8.271 -1.378 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.262 10.259 -0.834 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.893 11.229 -1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.488 10.325 0.382 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.632 9.049 0.748 1.00 0.00 H new ATOM 180 N ILE A 48 3.375 9.353 -2.256 1.00 0.00 N ATOM 181 CA ILE A 48 2.152 9.744 -2.946 1.00 0.00 C ATOM 182 C ILE A 48 1.624 11.073 -2.417 1.00 0.00 C ATOM 183 O ILE A 48 1.799 11.399 -1.243 1.00 0.00 O ATOM 184 CB ILE A 48 1.054 8.674 -2.795 1.00 0.00 C ATOM 185 CG1 ILE A 48 1.612 7.288 -3.124 1.00 0.00 C ATOM 186 CG2 ILE A 48 -0.131 9.001 -3.691 1.00 0.00 C ATOM 187 CD1 ILE A 48 0.593 6.178 -2.993 1.00 0.00 C ATOM 0 H ILE A 48 3.224 8.857 -1.378 1.00 0.00 H new ATOM 0 HA ILE A 48 2.405 9.849 -4.001 1.00 0.00 H new ATOM 0 HB ILE A 48 0.712 8.670 -1.760 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.001 7.294 -4.142 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.453 7.078 -2.463 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.898 8.236 -3.573 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.541 9.972 -3.412 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.196 9.030 -4.730 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.059 5.225 -3.242 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.222 6.144 -1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.237 6.364 -3.674 1.00 0.00 H new ATOM 199 N THR A 49 0.978 11.836 -3.292 1.00 0.00 N ATOM 200 CA THR A 49 0.423 13.129 -2.912 1.00 0.00 C ATOM 201 C THR A 49 -0.874 12.954 -2.130 1.00 0.00 C ATOM 202 O THR A 49 -1.516 11.906 -2.196 1.00 0.00 O ATOM 203 CB THR A 49 0.172 13.984 -4.156 1.00 0.00 C ATOM 204 OG1 THR A 49 -0.912 13.468 -4.908 1.00 0.00 O ATOM 205 CG2 THR A 49 1.370 14.069 -5.076 1.00 0.00 C ATOM 0 H THR A 49 0.826 11.582 -4.268 1.00 0.00 H new ATOM 0 HA THR A 49 1.146 13.635 -2.272 1.00 0.00 H new ATOM 0 HB THR A 49 -0.048 14.983 -3.780 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.058 14.029 -5.698 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.124 14.690 -5.938 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.210 14.510 -4.539 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.640 13.069 -5.415 1.00 0.00 H new ATOM 213 N LYS A 50 -1.255 13.989 -1.387 1.00 0.00 N ATOM 214 CA LYS A 50 -2.477 13.950 -0.593 1.00 0.00 C ATOM 215 C LYS A 50 -3.698 13.766 -1.485 1.00 0.00 C ATOM 216 O LYS A 50 -4.689 13.158 -1.080 1.00 0.00 O ATOM 217 CB LYS A 50 -2.617 15.235 0.227 1.00 0.00 C ATOM 218 CG LYS A 50 -2.079 15.114 1.644 1.00 0.00 C ATOM 219 CD LYS A 50 -2.743 16.113 2.578 1.00 0.00 C ATOM 220 CE LYS A 50 -1.840 16.466 3.749 1.00 0.00 C ATOM 221 NZ LYS A 50 -2.092 17.846 4.248 1.00 0.00 N ATOM 0 H LYS A 50 -0.735 14.864 -1.319 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.414 13.099 0.086 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.092 16.042 -0.285 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.669 15.516 0.269 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.246 14.102 2.013 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.001 15.278 1.641 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.994 17.018 2.025 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.679 15.697 2.951 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.999 15.753 4.558 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.798 16.375 3.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.457 18.048 5.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.916 18.529 3.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.080 17.926 4.563 1.00 0.00 H new ATOM 235 N GLU A 51 -3.622 14.297 -2.701 1.00 0.00 N ATOM 236 CA GLU A 51 -4.723 14.195 -3.651 1.00 0.00 C ATOM 237 C GLU A 51 -5.038 12.737 -3.974 1.00 0.00 C ATOM 238 O GLU A 51 -6.201 12.338 -4.008 1.00 0.00 O ATOM 239 CB GLU A 51 -4.385 14.951 -4.937 1.00 0.00 C ATOM 240 CG GLU A 51 -5.591 15.600 -5.595 1.00 0.00 C ATOM 241 CD GLU A 51 -5.223 16.828 -6.405 1.00 0.00 C ATOM 242 OE1 GLU A 51 -5.744 16.977 -7.530 1.00 0.00 O ATOM 243 OE2 GLU A 51 -4.414 17.642 -5.912 1.00 0.00 O ATOM 0 H GLU A 51 -2.809 14.803 -3.052 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.605 14.643 -3.192 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.646 15.720 -4.713 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.923 14.261 -5.644 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.080 14.874 -6.244 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.313 15.879 -4.827 1.00 0.00 H new ATOM 250 N ASP A 52 -3.997 11.948 -4.214 1.00 0.00 N ATOM 251 CA ASP A 52 -4.168 10.536 -4.538 1.00 0.00 C ATOM 252 C ASP A 52 -4.590 9.738 -3.309 1.00 0.00 C ATOM 253 O ASP A 52 -5.496 8.907 -3.378 1.00 0.00 O ATOM 254 CB ASP A 52 -2.872 9.963 -5.112 1.00 0.00 C ATOM 255 CG ASP A 52 -2.813 10.066 -6.624 1.00 0.00 C ATOM 256 OD1 ASP A 52 -3.164 9.077 -7.301 1.00 0.00 O ATOM 257 OD2 ASP A 52 -2.414 11.136 -7.130 1.00 0.00 O ATOM 0 H ASP A 52 -3.027 12.261 -4.190 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.957 10.456 -5.286 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.022 10.492 -4.681 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.779 8.918 -4.818 1.00 0.00 H new ATOM 262 N LEU A 53 -3.923 9.989 -2.187 1.00 0.00 N ATOM 263 CA LEU A 53 -4.226 9.286 -0.945 1.00 0.00 C ATOM 264 C LEU A 53 -5.645 9.586 -0.468 1.00 0.00 C ATOM 265 O LEU A 53 -6.290 8.740 0.151 1.00 0.00 O ATOM 266 CB LEU A 53 -3.214 9.665 0.143 1.00 0.00 C ATOM 267 CG LEU A 53 -1.782 9.173 -0.096 1.00 0.00 C ATOM 268 CD1 LEU A 53 -0.941 9.350 1.159 1.00 0.00 C ATOM 269 CD2 LEU A 53 -1.782 7.715 -0.537 1.00 0.00 C ATOM 0 H LEU A 53 -3.170 10.673 -2.112 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.155 8.216 -1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.197 10.751 0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.563 9.267 1.096 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.342 9.772 -0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.072 8.995 0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.912 10.405 1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.380 8.777 1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.756 7.385 -0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.241 7.101 0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.348 7.615 -1.463 1.00 0.00 H new ATOM 281 N ILE A 54 -6.126 10.793 -0.756 1.00 0.00 N ATOM 282 CA ILE A 54 -7.471 11.194 -0.348 1.00 0.00 C ATOM 283 C ILE A 54 -8.515 10.185 -0.822 1.00 0.00 C ATOM 284 O ILE A 54 -9.432 9.830 -0.081 1.00 0.00 O ATOM 285 CB ILE A 54 -7.823 12.609 -0.876 1.00 0.00 C ATOM 286 CG1 ILE A 54 -8.629 13.377 0.171 1.00 0.00 C ATOM 287 CG2 ILE A 54 -8.588 12.543 -2.193 1.00 0.00 C ATOM 288 CD1 ILE A 54 -7.770 14.116 1.174 1.00 0.00 C ATOM 0 H ILE A 54 -5.608 11.507 -1.268 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.482 11.220 0.742 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.888 13.137 -1.064 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.279 14.091 -0.335 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.276 12.679 0.703 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.817 13.553 -2.532 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.979 12.038 -2.943 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.516 11.990 -2.047 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.409 14.638 1.886 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.139 13.405 1.707 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.142 14.838 0.653 1.00 0.00 H new ATOM 300 N GLN A 55 -8.364 9.726 -2.060 1.00 0.00 N ATOM 301 CA GLN A 55 -9.290 8.757 -2.635 1.00 0.00 C ATOM 302 C GLN A 55 -9.151 7.407 -1.945 1.00 0.00 C ATOM 303 O GLN A 55 -10.144 6.743 -1.647 1.00 0.00 O ATOM 304 CB GLN A 55 -9.040 8.611 -4.139 1.00 0.00 C ATOM 305 CG GLN A 55 -10.248 8.963 -4.991 1.00 0.00 C ATOM 306 CD GLN A 55 -11.277 7.851 -5.032 1.00 0.00 C ATOM 307 OE1 GLN A 55 -10.932 6.673 -5.129 1.00 0.00 O ATOM 308 NE2 GLN A 55 -12.551 8.220 -4.959 1.00 0.00 N ATOM 0 H GLN A 55 -7.609 10.010 -2.684 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.306 9.120 -2.481 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.205 9.251 -4.424 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -8.742 7.584 -4.352 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -10.712 9.868 -4.600 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.919 9.186 -6.006 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.792 9.208 -4.879 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.288 7.515 -4.983 1.00 0.00 H new ATOM 317 N LYS A 56 -7.912 7.013 -1.686 1.00 0.00 N ATOM 318 CA LYS A 56 -7.639 5.747 -1.020 1.00 0.00 C ATOM 319 C LYS A 56 -8.097 5.810 0.432 1.00 0.00 C ATOM 320 O LYS A 56 -8.521 4.807 1.008 1.00 0.00 O ATOM 321 CB LYS A 56 -6.145 5.416 -1.085 1.00 0.00 C ATOM 322 CG LYS A 56 -5.482 5.807 -2.396 1.00 0.00 C ATOM 323 CD LYS A 56 -4.076 5.242 -2.501 1.00 0.00 C ATOM 324 CE LYS A 56 -3.216 6.056 -3.456 1.00 0.00 C ATOM 325 NZ LYS A 56 -3.144 5.434 -4.807 1.00 0.00 N ATOM 0 H LYS A 56 -7.080 7.552 -1.927 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.191 4.960 -1.533 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.635 5.923 -0.266 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.013 4.345 -0.928 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.083 5.446 -3.230 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.445 6.893 -2.476 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.613 5.230 -1.514 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.123 4.208 -2.844 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.623 7.064 -3.542 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.210 6.152 -3.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.549 6.019 -5.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.732 4.482 -4.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.101 5.366 -5.209 1.00 0.00 H new ATOM 339 N SER A 57 -8.008 7.001 1.015 1.00 0.00 N ATOM 340 CA SER A 57 -8.410 7.215 2.400 1.00 0.00 C ATOM 341 C SER A 57 -9.931 7.210 2.547 1.00 0.00 C ATOM 342 O SER A 57 -10.451 7.149 3.661 1.00 0.00 O ATOM 343 CB SER A 57 -7.844 8.539 2.915 1.00 0.00 C ATOM 344 OG SER A 57 -8.282 9.626 2.119 1.00 0.00 O ATOM 0 H SER A 57 -7.659 7.837 0.546 1.00 0.00 H new ATOM 0 HA SER A 57 -8.009 6.393 2.993 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.154 8.693 3.948 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.755 8.498 2.912 1.00 0.00 H new ATOM 0 HG SER A 57 -8.889 9.298 1.423 1.00 0.00 H new ATOM 350 N LEU A 58 -10.644 7.279 1.424 1.00 0.00 N ATOM 351 CA LEU A 58 -12.104 7.288 1.454 1.00 0.00 C ATOM 352 C LEU A 58 -12.647 5.993 2.056 1.00 0.00 C ATOM 353 O LEU A 58 -13.794 5.940 2.498 1.00 0.00 O ATOM 354 CB LEU A 58 -12.664 7.481 0.044 1.00 0.00 C ATOM 355 CG LEU A 58 -12.594 8.913 -0.490 1.00 0.00 C ATOM 356 CD1 LEU A 58 -12.883 8.941 -1.983 1.00 0.00 C ATOM 357 CD2 LEU A 58 -13.567 9.808 0.260 1.00 0.00 C ATOM 0 H LEU A 58 -10.238 7.329 0.490 1.00 0.00 H new ATOM 0 HA LEU A 58 -12.422 8.120 2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.121 6.828 -0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.705 7.157 0.035 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.585 9.292 -0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.829 9.968 -2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -12.147 8.332 -2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -13.881 8.543 -2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.504 10.823 -0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.582 9.431 0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.314 9.813 1.320 1.00 0.00 H new ATOM 369 N GLY A 59 -11.816 4.955 2.082 1.00 0.00 N ATOM 370 CA GLY A 59 -12.236 3.685 2.646 1.00 0.00 C ATOM 371 C GLY A 59 -12.866 2.762 1.622 1.00 0.00 C ATOM 372 O GLY A 59 -13.902 2.152 1.884 1.00 0.00 O ATOM 0 H GLY A 59 -10.861 4.971 1.723 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.374 3.189 3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.950 3.869 3.449 1.00 0.00 H new ATOM 376 N THR A 60 -12.238 2.650 0.456 1.00 0.00 N ATOM 377 CA THR A 60 -12.748 1.783 -0.601 1.00 0.00 C ATOM 378 C THR A 60 -11.604 1.127 -1.368 1.00 0.00 C ATOM 379 O THR A 60 -10.600 1.769 -1.675 1.00 0.00 O ATOM 380 CB THR A 60 -13.631 2.581 -1.562 1.00 0.00 C ATOM 381 OG1 THR A 60 -12.886 3.611 -2.189 1.00 0.00 O ATOM 382 CG2 THR A 60 -14.822 3.224 -0.886 1.00 0.00 C ATOM 0 H THR A 60 -11.379 3.146 0.219 1.00 0.00 H new ATOM 0 HA THR A 60 -13.345 0.999 -0.136 1.00 0.00 H new ATOM 0 HB THR A 60 -13.994 1.856 -2.290 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.467 4.109 -2.801 1.00 0.00 H new ATOM 0 HG21 THR A 60 -15.406 3.774 -1.624 1.00 0.00 H new ATOM 0 HG22 THR A 60 -15.444 2.452 -0.433 1.00 0.00 H new ATOM 0 HG23 THR A 60 -14.475 3.910 -0.113 1.00 0.00 H new ATOM 390 N CYS A 61 -11.767 -0.155 -1.679 1.00 0.00 N ATOM 391 CA CYS A 61 -10.752 -0.898 -2.417 1.00 0.00 C ATOM 392 C CYS A 61 -10.948 -0.734 -3.920 1.00 0.00 C ATOM 393 O CYS A 61 -12.073 -0.779 -4.416 1.00 0.00 O ATOM 394 CB CYS A 61 -10.796 -2.380 -2.039 1.00 0.00 C ATOM 395 SG CYS A 61 -9.370 -3.332 -2.615 1.00 0.00 S ATOM 0 H CYS A 61 -12.592 -0.701 -1.431 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.775 -0.495 -2.150 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -10.862 -2.465 -0.954 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.704 -2.822 -2.449 1.00 0.00 H new ATOM 0 HG CYS A 61 -9.090 -4.261 -1.750 1.00 0.00 H new ATOM 400 N GLN A 62 -9.848 -0.543 -4.641 1.00 0.00 N ATOM 401 CA GLN A 62 -9.906 -0.371 -6.088 1.00 0.00 C ATOM 402 C GLN A 62 -10.134 -1.705 -6.791 1.00 0.00 C ATOM 403 O GLN A 62 -10.713 -1.754 -7.877 1.00 0.00 O ATOM 404 CB GLN A 62 -8.617 0.275 -6.598 1.00 0.00 C ATOM 405 CG GLN A 62 -8.664 1.794 -6.616 1.00 0.00 C ATOM 406 CD GLN A 62 -7.345 2.414 -7.030 1.00 0.00 C ATOM 407 OE1 GLN A 62 -6.442 1.722 -7.502 1.00 0.00 O ATOM 408 NE2 GLN A 62 -7.225 3.724 -6.855 1.00 0.00 N ATOM 0 H GLN A 62 -8.908 -0.503 -4.248 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.747 0.284 -6.315 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.786 -0.047 -5.970 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.414 -0.086 -7.606 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.446 2.121 -7.301 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -8.936 2.157 -5.625 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.999 4.259 -6.460 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.359 4.196 -7.115 1.00 0.00 H new ATOM 417 N ASP A 63 -9.676 -2.787 -6.168 1.00 0.00 N ATOM 418 CA ASP A 63 -9.832 -4.120 -6.739 1.00 0.00 C ATOM 419 C ASP A 63 -11.221 -4.681 -6.445 1.00 0.00 C ATOM 420 O ASP A 63 -11.935 -5.104 -7.354 1.00 0.00 O ATOM 421 CB ASP A 63 -8.763 -5.062 -6.184 1.00 0.00 C ATOM 422 CG ASP A 63 -7.430 -4.905 -6.890 1.00 0.00 C ATOM 423 OD1 ASP A 63 -7.095 -5.772 -7.724 1.00 0.00 O ATOM 424 OD2 ASP A 63 -6.723 -3.916 -6.609 1.00 0.00 O ATOM 0 H ASP A 63 -9.195 -2.766 -5.269 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.714 -4.041 -7.820 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.632 -4.871 -5.119 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.104 -6.093 -6.283 1.00 0.00 H new ATOM 429 N CYS A 64 -11.597 -4.679 -5.170 1.00 0.00 N ATOM 430 CA CYS A 64 -12.899 -5.188 -4.755 1.00 0.00 C ATOM 431 C CYS A 64 -13.670 -4.128 -3.972 1.00 0.00 C ATOM 432 O CYS A 64 -13.299 -2.955 -3.967 1.00 0.00 O ATOM 433 CB CYS A 64 -12.728 -6.451 -3.907 1.00 0.00 C ATOM 434 SG CYS A 64 -11.902 -6.174 -2.320 1.00 0.00 S ATOM 0 H CYS A 64 -11.018 -4.330 -4.406 1.00 0.00 H new ATOM 0 HA CYS A 64 -13.470 -5.438 -5.649 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -13.710 -6.886 -3.722 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -12.157 -7.184 -4.478 1.00 0.00 H new ATOM 0 HG CYS A 64 -11.044 -5.205 -2.441 1.00 0.00 H new ATOM 439 N LYS A 65 -14.746 -4.548 -3.311 1.00 0.00 N ATOM 440 CA LYS A 65 -15.565 -3.632 -2.526 1.00 0.00 C ATOM 441 C LYS A 65 -15.654 -4.095 -1.075 1.00 0.00 C ATOM 442 O LYS A 65 -16.733 -4.425 -0.580 1.00 0.00 O ATOM 443 CB LYS A 65 -16.968 -3.524 -3.130 1.00 0.00 C ATOM 444 CG LYS A 65 -17.613 -4.870 -3.414 1.00 0.00 C ATOM 445 CD LYS A 65 -18.968 -4.707 -4.086 1.00 0.00 C ATOM 446 CE LYS A 65 -19.987 -5.689 -3.530 1.00 0.00 C ATOM 447 NZ LYS A 65 -20.120 -6.898 -4.389 1.00 0.00 N ATOM 0 H LYS A 65 -15.070 -5.515 -3.304 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.094 -2.649 -2.547 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -17.606 -2.962 -2.448 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -16.912 -2.954 -4.058 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -16.957 -5.461 -4.053 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -17.732 -5.422 -2.482 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -19.327 -3.688 -3.942 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -18.863 -4.859 -5.160 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -19.691 -5.989 -2.525 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -20.956 -5.197 -3.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -20.824 -7.542 -3.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -20.427 -6.615 -5.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -19.202 -7.382 -4.451 1.00 0.00 H new ATOM 529 N LEU A 71 -7.339 0.056 5.126 1.00 0.00 N ATOM 530 CA LEU A 71 -7.084 -0.058 3.694 1.00 0.00 C ATOM 531 C LEU A 71 -5.622 0.234 3.373 1.00 0.00 C ATOM 532 O LEU A 71 -5.007 1.118 3.972 1.00 0.00 O ATOM 533 CB LEU A 71 -7.995 0.894 2.914 1.00 0.00 C ATOM 534 CG LEU A 71 -9.178 0.225 2.211 1.00 0.00 C ATOM 535 CD1 LEU A 71 -9.959 1.245 1.398 1.00 0.00 C ATOM 536 CD2 LEU A 71 -8.696 -0.911 1.321 1.00 0.00 C ATOM 0 HA LEU A 71 -7.301 -1.083 3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.379 1.649 3.600 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.396 1.416 2.168 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.841 -0.191 2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.797 0.752 0.905 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.335 2.026 2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.306 1.689 0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.551 -1.375 0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.013 -0.518 0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.179 -1.654 1.928 1.00 0.00 H new ATOM 548 N TRP A 72 -5.069 -0.515 2.423 1.00 0.00 N ATOM 549 CA TRP A 72 -3.678 -0.340 2.024 1.00 0.00 C ATOM 550 C TRP A 72 -3.577 0.238 0.617 1.00 0.00 C ATOM 551 O TRP A 72 -4.451 0.019 -0.222 1.00 0.00 O ATOM 552 CB TRP A 72 -2.934 -1.674 2.095 1.00 0.00 C ATOM 553 CG TRP A 72 -2.945 -2.286 3.462 1.00 0.00 C ATOM 554 CD1 TRP A 72 -4.038 -2.718 4.158 1.00 0.00 C ATOM 555 CD2 TRP A 72 -1.811 -2.534 4.300 1.00 0.00 C ATOM 556 NE1 TRP A 72 -3.652 -3.219 5.378 1.00 0.00 N ATOM 557 CE2 TRP A 72 -2.290 -3.118 5.488 1.00 0.00 C ATOM 558 CE3 TRP A 72 -0.437 -2.320 4.161 1.00 0.00 C ATOM 559 CZ2 TRP A 72 -1.443 -3.490 6.529 1.00 0.00 C ATOM 560 CZ3 TRP A 72 0.403 -2.689 5.195 1.00 0.00 C ATOM 561 CH2 TRP A 72 -0.102 -3.268 6.366 1.00 0.00 C ATOM 0 H TRP A 72 -5.564 -1.249 1.916 1.00 0.00 H new ATOM 0 HA TRP A 72 -3.217 0.364 2.716 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.384 -2.371 1.389 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -1.901 -1.524 1.780 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -5.057 -2.672 3.802 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -4.277 -3.603 6.086 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -0.038 -1.874 3.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.830 -3.938 7.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.467 -2.528 5.098 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.580 -3.545 7.156 1.00 0.00 H new ATOM 572 N ALA A 73 -2.502 0.976 0.367 1.00 0.00 N ATOM 573 CA ALA A 73 -2.277 1.586 -0.936 1.00 0.00 C ATOM 574 C ALA A 73 -0.836 1.390 -1.385 1.00 0.00 C ATOM 575 O ALA A 73 0.092 1.481 -0.580 1.00 0.00 O ATOM 576 CB ALA A 73 -2.623 3.067 -0.891 1.00 0.00 C ATOM 0 H ALA A 73 -1.771 1.166 1.052 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.927 1.096 -1.661 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.450 3.511 -1.871 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.671 3.188 -0.618 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.996 3.565 -0.152 1.00 0.00 H new ATOM 582 N CYS A 74 -0.651 1.118 -2.672 1.00 0.00 N ATOM 583 CA CYS A 74 0.683 0.907 -3.222 1.00 0.00 C ATOM 584 C CYS A 74 1.589 2.101 -2.930 1.00 0.00 C ATOM 585 O CYS A 74 1.181 3.253 -3.075 1.00 0.00 O ATOM 586 CB CYS A 74 0.606 0.661 -4.729 1.00 0.00 C ATOM 587 SG CYS A 74 2.139 0.032 -5.447 1.00 0.00 S ATOM 0 H CYS A 74 -1.406 1.039 -3.353 1.00 0.00 H new ATOM 0 HA CYS A 74 1.111 0.027 -2.742 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -0.196 -0.049 -4.931 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.339 1.594 -5.226 1.00 0.00 H new ATOM 0 HG CYS A 74 2.153 -1.266 -5.373 1.00 0.00 H new ATOM 592 N LEU A 75 2.816 1.815 -2.509 1.00 0.00 N ATOM 593 CA LEU A 75 3.780 2.860 -2.184 1.00 0.00 C ATOM 594 C LEU A 75 4.546 3.321 -3.422 1.00 0.00 C ATOM 595 O LEU A 75 5.116 4.412 -3.435 1.00 0.00 O ATOM 596 CB LEU A 75 4.760 2.358 -1.122 1.00 0.00 C ATOM 597 CG LEU A 75 5.553 3.449 -0.403 1.00 0.00 C ATOM 598 CD1 LEU A 75 4.614 4.406 0.316 1.00 0.00 C ATOM 599 CD2 LEU A 75 6.538 2.830 0.577 1.00 0.00 C ATOM 0 H LEU A 75 3.167 0.866 -2.385 1.00 0.00 H new ATOM 0 HA LEU A 75 3.227 3.714 -1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.205 1.785 -0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.463 1.671 -1.594 1.00 0.00 H new ATOM 0 HG LEU A 75 6.115 4.014 -1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.197 5.176 0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.946 4.873 -0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.025 3.855 1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.095 3.620 1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.995 2.241 1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.231 2.185 0.037 1.00 0.00 H new ATOM 611 N GLU A 76 4.561 2.488 -4.460 1.00 0.00 N ATOM 612 CA GLU A 76 5.264 2.822 -5.696 1.00 0.00 C ATOM 613 C GLU A 76 4.816 4.179 -6.230 1.00 0.00 C ATOM 614 O GLU A 76 3.624 4.424 -6.410 1.00 0.00 O ATOM 615 CB GLU A 76 5.025 1.740 -6.751 1.00 0.00 C ATOM 616 CG GLU A 76 6.098 1.690 -7.825 1.00 0.00 C ATOM 617 CD GLU A 76 7.299 0.864 -7.412 1.00 0.00 C ATOM 618 OE1 GLU A 76 7.109 -0.312 -7.035 1.00 0.00 O ATOM 619 OE2 GLU A 76 8.430 1.391 -7.463 1.00 0.00 O ATOM 0 H GLU A 76 4.096 1.580 -4.470 1.00 0.00 H new ATOM 0 HA GLU A 76 6.330 2.875 -5.475 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.971 0.769 -6.258 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.058 1.912 -7.223 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.673 1.274 -8.739 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.422 2.705 -8.057 1.00 0.00 H new ATOM 626 N ASN A 77 5.781 5.059 -6.479 1.00 0.00 N ATOM 627 CA ASN A 77 5.487 6.394 -6.988 1.00 0.00 C ATOM 628 C ASN A 77 4.814 6.324 -8.355 1.00 0.00 C ATOM 629 O ASN A 77 3.951 7.141 -8.675 1.00 0.00 O ATOM 630 CB ASN A 77 6.772 7.219 -7.083 1.00 0.00 C ATOM 631 CG ASN A 77 6.508 8.668 -7.402 1.00 0.00 C ATOM 632 OD1 ASN A 77 5.362 9.091 -7.549 1.00 0.00 O ATOM 633 ND2 ASN A 77 7.578 9.437 -7.510 1.00 0.00 N ATOM 0 H ASN A 77 6.773 4.871 -6.336 1.00 0.00 H new ATOM 0 HA ASN A 77 4.801 6.876 -6.292 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.313 7.151 -6.139 1.00 0.00 H new ATOM 0 HB3 ASN A 77 7.417 6.793 -7.852 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.474 10.429 -7.724 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.508 9.039 -7.379 1.00 0.00 H new ATOM 640 N ARG A 78 5.215 5.344 -9.156 1.00 0.00 N ATOM 641 CA ARG A 78 4.651 5.168 -10.490 1.00 0.00 C ATOM 642 C ARG A 78 3.296 4.469 -10.427 1.00 0.00 C ATOM 643 O ARG A 78 2.460 4.637 -11.315 1.00 0.00 O ATOM 644 CB ARG A 78 5.611 4.362 -11.369 1.00 0.00 C ATOM 645 CG ARG A 78 6.936 5.062 -11.623 1.00 0.00 C ATOM 646 CD ARG A 78 7.542 4.641 -12.953 1.00 0.00 C ATOM 647 NE ARG A 78 8.470 3.523 -12.802 1.00 0.00 N ATOM 648 CZ ARG A 78 9.234 3.056 -13.787 1.00 0.00 C ATOM 649 NH1 ARG A 78 9.184 3.607 -14.994 1.00 0.00 N ATOM 650 NH2 ARG A 78 10.050 2.035 -13.566 1.00 0.00 N ATOM 0 H ARG A 78 5.928 4.659 -8.906 1.00 0.00 H new ATOM 0 HA ARG A 78 4.507 6.156 -10.926 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.803 3.399 -10.895 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.129 4.156 -12.325 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.786 6.142 -11.616 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.631 4.831 -10.816 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.745 4.360 -13.642 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.064 5.488 -13.398 1.00 0.00 H new ATOM 0 HE ARG A 78 8.536 3.074 -11.889 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.558 4.393 -15.170 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.772 3.245 -15.745 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.093 1.607 -12.641 1.00 0.00 H new ATOM 0 HH22 ARG A 78 10.635 1.677 -14.321 1.00 0.00 H new ATOM 664 N CYS A 79 3.088 3.682 -9.377 1.00 0.00 N ATOM 665 CA CYS A 79 1.834 2.955 -9.204 1.00 0.00 C ATOM 666 C CYS A 79 0.896 3.695 -8.255 1.00 0.00 C ATOM 667 O CYS A 79 1.339 4.397 -7.347 1.00 0.00 O ATOM 668 CB CYS A 79 2.110 1.549 -8.671 1.00 0.00 C ATOM 669 SG CYS A 79 0.898 0.309 -9.185 1.00 0.00 S ATOM 0 H CYS A 79 3.770 3.531 -8.634 1.00 0.00 H new ATOM 0 HA CYS A 79 1.349 2.883 -10.177 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.099 1.234 -9.004 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.137 1.584 -7.582 1.00 0.00 H new ATOM 0 HG CYS A 79 0.830 -0.630 -8.288 1.00 0.00 H new ATOM 674 N SER A 80 -0.404 3.526 -8.472 1.00 0.00 N ATOM 675 CA SER A 80 -1.413 4.170 -7.637 1.00 0.00 C ATOM 676 C SER A 80 -2.617 3.252 -7.457 1.00 0.00 C ATOM 677 O SER A 80 -3.756 3.643 -7.717 1.00 0.00 O ATOM 678 CB SER A 80 -1.850 5.497 -8.260 1.00 0.00 C ATOM 679 OG SER A 80 -1.807 5.436 -9.675 1.00 0.00 O ATOM 0 H SER A 80 -0.785 2.947 -9.221 1.00 0.00 H new ATOM 0 HA SER A 80 -0.977 4.370 -6.658 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.862 5.739 -7.934 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.201 6.299 -7.908 1.00 0.00 H new ATOM 0 HG SER A 80 -2.093 6.296 -10.048 1.00 0.00 H new ATOM 685 N TYR A 81 -2.354 2.026 -7.017 1.00 0.00 N ATOM 686 CA TYR A 81 -3.411 1.044 -6.810 1.00 0.00 C ATOM 687 C TYR A 81 -3.840 0.987 -5.347 1.00 0.00 C ATOM 688 O TYR A 81 -3.027 1.172 -4.441 1.00 0.00 O ATOM 689 CB TYR A 81 -2.939 -0.337 -7.269 1.00 0.00 C ATOM 690 CG TYR A 81 -3.536 -0.774 -8.588 1.00 0.00 C ATOM 691 CD1 TYR A 81 -3.416 0.020 -9.722 1.00 0.00 C ATOM 692 CD2 TYR A 81 -4.221 -1.977 -8.698 1.00 0.00 C ATOM 693 CE1 TYR A 81 -3.962 -0.375 -10.929 1.00 0.00 C ATOM 694 CE2 TYR A 81 -4.769 -2.379 -9.902 1.00 0.00 C ATOM 695 CZ TYR A 81 -4.636 -1.574 -11.014 1.00 0.00 C ATOM 696 OH TYR A 81 -5.181 -1.971 -12.214 1.00 0.00 O ATOM 0 H TYR A 81 -1.417 1.689 -6.797 1.00 0.00 H new ATOM 0 HA TYR A 81 -4.274 1.349 -7.402 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.853 -0.330 -7.356 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.193 -1.071 -6.504 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.888 0.960 -9.659 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -4.327 -2.609 -7.829 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.861 0.253 -11.802 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.298 -3.318 -9.971 1.00 0.00 H new ATOM 0 HH TYR A 81 -5.620 -2.840 -12.102 1.00 0.00 H new ATOM 706 N VAL A 82 -5.123 0.720 -5.128 1.00 0.00 N ATOM 707 CA VAL A 82 -5.669 0.626 -3.780 1.00 0.00 C ATOM 708 C VAL A 82 -6.116 -0.801 -3.480 1.00 0.00 C ATOM 709 O VAL A 82 -7.039 -1.315 -4.110 1.00 0.00 O ATOM 710 CB VAL A 82 -6.865 1.577 -3.587 1.00 0.00 C ATOM 711 CG1 VAL A 82 -7.302 1.600 -2.131 1.00 0.00 C ATOM 712 CG2 VAL A 82 -6.517 2.976 -4.070 1.00 0.00 C ATOM 0 H VAL A 82 -5.806 0.564 -5.870 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.875 0.916 -3.091 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.699 1.208 -4.185 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.148 2.278 -2.016 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.596 0.597 -1.824 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.475 1.942 -1.508 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.374 3.634 -3.926 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.668 3.356 -3.502 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.260 2.942 -5.129 1.00 0.00 H new ATOM 722 N GLY A 83 -5.451 -1.439 -2.522 1.00 0.00 N ATOM 723 CA GLY A 83 -5.796 -2.803 -2.171 1.00 0.00 C ATOM 724 C GLY A 83 -5.932 -3.012 -0.676 1.00 0.00 C ATOM 725 O GLY A 83 -5.487 -2.184 0.119 1.00 0.00 O ATOM 0 H GLY A 83 -4.683 -1.037 -1.985 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.734 -3.071 -2.657 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.032 -3.477 -2.559 1.00 0.00 H new ATOM 729 N CYS A 84 -6.543 -4.127 -0.295 1.00 0.00 N ATOM 730 CA CYS A 84 -6.734 -4.452 1.114 1.00 0.00 C ATOM 731 C CYS A 84 -5.738 -5.518 1.560 1.00 0.00 C ATOM 732 O CYS A 84 -5.460 -6.472 0.830 1.00 0.00 O ATOM 733 CB CYS A 84 -8.167 -4.925 1.371 1.00 0.00 C ATOM 734 SG CYS A 84 -8.796 -6.106 0.153 1.00 0.00 S ATOM 0 H CYS A 84 -6.915 -4.822 -0.942 1.00 0.00 H new ATOM 0 HA CYS A 84 -6.559 -3.548 1.697 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -8.214 -5.382 2.359 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -8.825 -4.056 1.390 1.00 0.00 H new ATOM 0 HG CYS A 84 -10.013 -6.443 0.463 1.00 0.00 H new ATOM 739 N GLY A 85 -5.198 -5.343 2.763 1.00 0.00 N ATOM 740 CA GLY A 85 -4.231 -6.288 3.290 1.00 0.00 C ATOM 741 C GLY A 85 -4.798 -7.685 3.453 1.00 0.00 C ATOM 742 O GLY A 85 -5.893 -7.978 2.973 1.00 0.00 O ATOM 0 H GLY A 85 -5.414 -4.562 3.383 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.369 -6.327 2.624 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.872 -5.932 4.256 1.00 0.00 H new ATOM 746 N GLU A 86 -4.047 -8.547 4.130 1.00 0.00 N ATOM 747 CA GLU A 86 -4.473 -9.924 4.357 1.00 0.00 C ATOM 748 C GLU A 86 -5.719 -9.981 5.237 1.00 0.00 C ATOM 749 O GLU A 86 -6.425 -10.989 5.260 1.00 0.00 O ATOM 750 CB GLU A 86 -3.343 -10.730 5.001 1.00 0.00 C ATOM 751 CG GLU A 86 -2.036 -10.668 4.229 1.00 0.00 C ATOM 752 CD GLU A 86 -1.095 -9.604 4.758 1.00 0.00 C ATOM 753 OE1 GLU A 86 -0.125 -9.963 5.457 1.00 0.00 O ATOM 754 OE2 GLU A 86 -1.328 -8.410 4.471 1.00 0.00 O ATOM 0 H GLU A 86 -3.138 -8.316 4.532 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.719 -10.360 3.389 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.176 -10.361 6.013 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.655 -11.771 5.089 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.544 -11.639 4.277 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.248 -10.470 3.178 1.00 0.00 H new ATOM 761 N SER A 87 -5.984 -8.898 5.961 1.00 0.00 N ATOM 762 CA SER A 87 -7.146 -8.837 6.840 1.00 0.00 C ATOM 763 C SER A 87 -8.444 -8.962 6.047 1.00 0.00 C ATOM 764 O SER A 87 -9.496 -9.273 6.609 1.00 0.00 O ATOM 765 CB SER A 87 -7.143 -7.526 7.631 1.00 0.00 C ATOM 766 OG SER A 87 -7.519 -7.743 8.979 1.00 0.00 O ATOM 0 H SER A 87 -5.412 -8.054 5.956 1.00 0.00 H new ATOM 0 HA SER A 87 -7.087 -9.676 7.534 1.00 0.00 H new ATOM 0 HB2 SER A 87 -6.150 -7.078 7.595 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.830 -6.817 7.168 1.00 0.00 H new ATOM 0 HG SER A 87 -7.508 -6.891 9.463 1.00 0.00 H new ATOM 772 N GLN A 88 -8.370 -8.720 4.740 1.00 0.00 N ATOM 773 CA GLN A 88 -9.545 -8.808 3.880 1.00 0.00 C ATOM 774 C GLN A 88 -9.368 -9.885 2.814 1.00 0.00 C ATOM 775 O GLN A 88 -10.014 -10.933 2.865 1.00 0.00 O ATOM 776 CB GLN A 88 -9.819 -7.457 3.216 1.00 0.00 C ATOM 777 CG GLN A 88 -10.034 -6.325 4.207 1.00 0.00 C ATOM 778 CD GLN A 88 -11.480 -5.874 4.273 1.00 0.00 C ATOM 779 OE1 GLN A 88 -11.776 -4.683 4.178 1.00 0.00 O ATOM 780 NE2 GLN A 88 -12.391 -6.827 4.435 1.00 0.00 N ATOM 0 H GLN A 88 -7.510 -8.462 4.255 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.397 -9.080 4.503 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.982 -7.205 2.565 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.701 -7.546 2.581 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.713 -6.648 5.197 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -9.406 -5.479 3.928 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -12.101 -7.802 4.509 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.380 -6.584 4.485 1.00 0.00 H new ATOM 789 N VAL A 89 -8.495 -9.622 1.846 1.00 0.00 N ATOM 790 CA VAL A 89 -8.244 -10.573 0.767 1.00 0.00 C ATOM 791 C VAL A 89 -6.773 -10.585 0.358 1.00 0.00 C ATOM 792 O VAL A 89 -6.429 -11.050 -0.729 1.00 0.00 O ATOM 793 CB VAL A 89 -9.103 -10.252 -0.473 1.00 0.00 C ATOM 794 CG1 VAL A 89 -9.043 -11.395 -1.475 1.00 0.00 C ATOM 795 CG2 VAL A 89 -10.541 -9.962 -0.071 1.00 0.00 C ATOM 0 H VAL A 89 -7.951 -8.761 1.786 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.515 -11.556 1.151 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.698 -9.359 -0.949 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.655 -11.150 -2.343 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.011 -11.549 -1.790 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.420 -12.306 -1.011 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -11.129 -9.738 -0.961 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -10.961 -10.833 0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.565 -9.107 0.604 1.00 0.00 H new ATOM 805 N ASP A 90 -5.906 -10.072 1.228 1.00 0.00 N ATOM 806 CA ASP A 90 -4.472 -10.029 0.944 1.00 0.00 C ATOM 807 C ASP A 90 -4.206 -9.395 -0.418 1.00 0.00 C ATOM 808 O ASP A 90 -3.212 -9.707 -1.075 1.00 0.00 O ATOM 809 CB ASP A 90 -3.872 -11.440 0.982 1.00 0.00 C ATOM 810 CG ASP A 90 -4.557 -12.348 1.987 1.00 0.00 C ATOM 811 OD1 ASP A 90 -5.713 -12.747 1.734 1.00 0.00 O ATOM 812 OD2 ASP A 90 -3.936 -12.658 3.026 1.00 0.00 O ATOM 0 H ASP A 90 -6.169 -9.681 2.133 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.998 -9.419 1.713 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.943 -11.886 -0.010 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -2.812 -11.372 1.226 1.00 0.00 H new ATOM 817 N HIS A 91 -5.099 -8.503 -0.837 1.00 0.00 N ATOM 818 CA HIS A 91 -4.965 -7.827 -2.122 1.00 0.00 C ATOM 819 C HIS A 91 -3.598 -7.166 -2.250 1.00 0.00 C ATOM 820 O HIS A 91 -2.964 -7.224 -3.304 1.00 0.00 O ATOM 821 CB HIS A 91 -6.071 -6.782 -2.286 1.00 0.00 C ATOM 822 CG HIS A 91 -7.163 -7.209 -3.216 1.00 0.00 C ATOM 823 ND1 HIS A 91 -8.473 -6.863 -2.988 1.00 0.00 N ATOM 824 CD2 HIS A 91 -7.091 -7.950 -4.349 1.00 0.00 C ATOM 825 CE1 HIS A 91 -9.165 -7.397 -3.978 1.00 0.00 C ATOM 826 NE2 HIS A 91 -8.371 -8.065 -4.829 1.00 0.00 N ATOM 0 H HIS A 91 -5.925 -8.232 -0.303 1.00 0.00 H new ATOM 0 HA HIS A 91 -5.059 -8.573 -2.911 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -6.502 -6.564 -1.309 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.632 -5.855 -2.655 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -8.836 -6.308 -2.213 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -6.198 -8.369 -4.789 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.236 -7.307 -4.089 1.00 0.00 H new ATOM 834 N SER A 92 -3.145 -6.543 -1.168 1.00 0.00 N ATOM 835 CA SER A 92 -1.849 -5.879 -1.161 1.00 0.00 C ATOM 836 C SER A 92 -0.733 -6.869 -1.477 1.00 0.00 C ATOM 837 O SER A 92 0.251 -6.526 -2.137 1.00 0.00 O ATOM 838 CB SER A 92 -1.595 -5.221 0.197 1.00 0.00 C ATOM 839 OG SER A 92 -2.774 -4.614 0.699 1.00 0.00 O ATOM 0 H SER A 92 -3.655 -6.484 -0.287 1.00 0.00 H new ATOM 0 HA SER A 92 -1.858 -5.108 -1.932 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.237 -5.968 0.905 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.809 -4.472 0.100 1.00 0.00 H new ATOM 0 HG SER A 92 -2.691 -4.489 1.667 1.00 0.00 H new ATOM 845 N THR A 93 -0.892 -8.103 -1.006 1.00 0.00 N ATOM 846 CA THR A 93 0.102 -9.142 -1.239 1.00 0.00 C ATOM 847 C THR A 93 0.106 -9.570 -2.701 1.00 0.00 C ATOM 848 O THR A 93 1.149 -9.575 -3.356 1.00 0.00 O ATOM 849 CB THR A 93 -0.168 -10.349 -0.341 1.00 0.00 C ATOM 850 OG1 THR A 93 -0.208 -9.961 1.021 1.00 0.00 O ATOM 851 CG2 THR A 93 0.871 -11.441 -0.476 1.00 0.00 C ATOM 0 H THR A 93 -1.700 -8.406 -0.461 1.00 0.00 H new ATOM 0 HA THR A 93 1.083 -8.733 -0.996 1.00 0.00 H new ATOM 0 HB THR A 93 -1.130 -10.743 -0.669 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.151 -9.054 1.113 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.619 -12.267 0.189 1.00 0.00 H new ATOM 0 HG22 THR A 93 0.893 -11.797 -1.506 1.00 0.00 H new ATOM 0 HG23 THR A 93 1.851 -11.046 -0.208 1.00 0.00 H new ATOM 859 N ILE A 94 -1.069 -9.922 -3.213 1.00 0.00 N ATOM 860 CA ILE A 94 -1.192 -10.345 -4.605 1.00 0.00 C ATOM 861 C ILE A 94 -0.671 -9.262 -5.537 1.00 0.00 C ATOM 862 O ILE A 94 0.164 -9.522 -6.404 1.00 0.00 O ATOM 863 CB ILE A 94 -2.650 -10.674 -4.988 1.00 0.00 C ATOM 864 CG1 ILE A 94 -3.356 -11.416 -3.849 1.00 0.00 C ATOM 865 CG2 ILE A 94 -2.680 -11.497 -6.269 1.00 0.00 C ATOM 866 CD1 ILE A 94 -4.705 -11.988 -4.234 1.00 0.00 C ATOM 0 H ILE A 94 -1.945 -9.923 -2.690 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.596 -11.252 -4.711 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.184 -9.740 -5.161 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.714 -12.226 -3.503 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.488 -10.733 -3.010 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.713 -11.724 -6.531 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.217 -10.930 -7.077 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.131 -12.427 -6.117 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.142 -12.498 -3.376 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.365 -11.181 -4.552 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.579 -12.697 -5.052 1.00 0.00 H new ATOM 878 N HIS A 95 -1.159 -8.041 -5.344 1.00 0.00 N ATOM 879 CA HIS A 95 -0.730 -6.914 -6.163 1.00 0.00 C ATOM 880 C HIS A 95 0.782 -6.749 -6.073 1.00 0.00 C ATOM 881 O HIS A 95 1.448 -6.467 -7.070 1.00 0.00 O ATOM 882 CB HIS A 95 -1.428 -5.625 -5.718 1.00 0.00 C ATOM 883 CG HIS A 95 -0.918 -4.397 -6.411 1.00 0.00 C ATOM 884 ND1 HIS A 95 -1.583 -3.759 -7.434 1.00 0.00 N ATOM 885 CD2 HIS A 95 0.227 -3.696 -6.214 1.00 0.00 C ATOM 886 CE1 HIS A 95 -0.839 -2.712 -7.818 1.00 0.00 C ATOM 887 NE2 HIS A 95 0.272 -2.630 -7.109 1.00 0.00 N ATOM 0 H HIS A 95 -1.849 -7.807 -4.630 1.00 0.00 H new ATOM 0 HA HIS A 95 -1.005 -7.115 -7.198 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -2.498 -5.719 -5.903 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -1.300 -5.505 -4.642 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -2.482 -4.034 -7.829 1.00 0.00 H new ATOM 0 HD2 HIS A 95 0.984 -3.928 -5.479 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -1.113 -2.025 -8.605 1.00 0.00 H new ATOM 895 N SER A 96 1.320 -6.933 -4.870 1.00 0.00 N ATOM 896 CA SER A 96 2.754 -6.811 -4.651 1.00 0.00 C ATOM 897 C SER A 96 3.520 -7.783 -5.544 1.00 0.00 C ATOM 898 O SER A 96 4.539 -7.430 -6.131 1.00 0.00 O ATOM 899 CB SER A 96 3.090 -7.071 -3.181 1.00 0.00 C ATOM 900 OG SER A 96 4.489 -7.194 -2.988 1.00 0.00 O ATOM 0 H SER A 96 0.783 -7.167 -4.035 1.00 0.00 H new ATOM 0 HA SER A 96 3.055 -5.795 -4.908 1.00 0.00 H new ATOM 0 HB2 SER A 96 2.706 -6.256 -2.568 1.00 0.00 H new ATOM 0 HB3 SER A 96 2.593 -7.982 -2.847 1.00 0.00 H new ATOM 0 HG SER A 96 4.666 -7.530 -2.085 1.00 0.00 H new ATOM 906 N GLN A 97 3.026 -9.010 -5.648 1.00 0.00 N ATOM 907 CA GLN A 97 3.677 -10.016 -6.478 1.00 0.00 C ATOM 908 C GLN A 97 3.513 -9.690 -7.960 1.00 0.00 C ATOM 909 O GLN A 97 4.481 -9.702 -8.721 1.00 0.00 O ATOM 910 CB GLN A 97 3.102 -11.402 -6.183 1.00 0.00 C ATOM 911 CG GLN A 97 3.667 -12.041 -4.924 1.00 0.00 C ATOM 912 CD GLN A 97 3.162 -11.376 -3.659 1.00 0.00 C ATOM 913 OE1 GLN A 97 2.295 -11.907 -2.967 1.00 0.00 O ATOM 914 NE2 GLN A 97 3.707 -10.204 -3.352 1.00 0.00 N ATOM 0 H GLN A 97 2.183 -9.331 -5.172 1.00 0.00 H new ATOM 0 HA GLN A 97 4.741 -10.013 -6.239 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.019 -11.324 -6.086 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.299 -12.056 -7.032 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.401 -13.098 -4.906 1.00 0.00 H new ATOM 0 HG3 GLN A 97 4.755 -11.987 -4.950 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.424 -9.801 -3.956 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.409 -9.707 -2.513 1.00 0.00 H new ATOM 923 N GLU A 98 2.278 -9.400 -8.362 1.00 0.00 N ATOM 924 CA GLU A 98 1.972 -9.077 -9.754 1.00 0.00 C ATOM 925 C GLU A 98 2.918 -8.018 -10.317 1.00 0.00 C ATOM 926 O GLU A 98 3.461 -8.180 -11.409 1.00 0.00 O ATOM 927 CB GLU A 98 0.525 -8.596 -9.876 1.00 0.00 C ATOM 928 CG GLU A 98 -0.489 -9.726 -9.943 1.00 0.00 C ATOM 929 CD GLU A 98 -0.369 -10.542 -11.217 1.00 0.00 C ATOM 930 OE1 GLU A 98 -1.175 -10.317 -12.143 1.00 0.00 O ATOM 931 OE2 GLU A 98 0.531 -11.405 -11.286 1.00 0.00 O ATOM 0 H GLU A 98 1.469 -9.382 -7.741 1.00 0.00 H new ATOM 0 HA GLU A 98 2.108 -9.988 -10.338 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.290 -7.958 -9.024 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.430 -7.980 -10.770 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.355 -10.381 -9.082 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.495 -9.311 -9.875 1.00 0.00 H new ATOM 938 N THR A 99 3.104 -6.932 -9.575 1.00 0.00 N ATOM 939 CA THR A 99 3.978 -5.849 -10.018 1.00 0.00 C ATOM 940 C THR A 99 5.276 -5.807 -9.216 1.00 0.00 C ATOM 941 O THR A 99 6.012 -4.824 -9.277 1.00 0.00 O ATOM 942 CB THR A 99 3.257 -4.506 -9.897 1.00 0.00 C ATOM 943 OG1 THR A 99 2.788 -4.308 -8.575 1.00 0.00 O ATOM 944 CG2 THR A 99 2.070 -4.375 -10.828 1.00 0.00 C ATOM 0 H THR A 99 2.664 -6.777 -8.668 1.00 0.00 H new ATOM 0 HA THR A 99 4.230 -6.038 -11.061 1.00 0.00 H new ATOM 0 HB THR A 99 3.998 -3.755 -10.172 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.674 -3.349 -8.408 1.00 0.00 H new ATOM 0 HG21 THR A 99 1.605 -3.399 -10.690 1.00 0.00 H new ATOM 0 HG22 THR A 99 2.405 -4.475 -11.861 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.344 -5.157 -10.605 1.00 0.00 H new ATOM 952 N LYS A 100 5.554 -6.870 -8.469 1.00 0.00 N ATOM 953 CA LYS A 100 6.767 -6.942 -7.658 1.00 0.00 C ATOM 954 C LYS A 100 6.874 -5.750 -6.699 1.00 0.00 C ATOM 955 O LYS A 100 7.963 -5.417 -6.231 1.00 0.00 O ATOM 956 CB LYS A 100 8.011 -7.035 -8.559 1.00 0.00 C ATOM 957 CG LYS A 100 8.638 -5.694 -8.933 1.00 0.00 C ATOM 958 CD LYS A 100 10.029 -5.537 -8.333 1.00 0.00 C ATOM 959 CE LYS A 100 11.069 -5.235 -9.400 1.00 0.00 C ATOM 960 NZ LYS A 100 11.725 -6.473 -9.903 1.00 0.00 N ATOM 0 H LYS A 100 4.957 -7.694 -8.407 1.00 0.00 H new ATOM 0 HA LYS A 100 6.711 -7.845 -7.050 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.762 -7.642 -8.054 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.740 -7.560 -9.475 1.00 0.00 H new ATOM 0 HG2 LYS A 100 8.698 -5.610 -10.018 1.00 0.00 H new ATOM 0 HG3 LYS A 100 7.998 -4.883 -8.585 1.00 0.00 H new ATOM 0 HD2 LYS A 100 10.019 -4.734 -7.596 1.00 0.00 H new ATOM 0 HD3 LYS A 100 10.303 -6.450 -7.805 1.00 0.00 H new ATOM 0 HE2 LYS A 100 10.595 -4.712 -10.231 1.00 0.00 H new ATOM 0 HE3 LYS A 100 11.825 -4.564 -8.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 12.427 -6.224 -10.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 12.199 -6.959 -9.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.008 -7.102 -10.317 1.00 0.00 H new ATOM 974 N HIS A 101 5.737 -5.126 -6.398 1.00 0.00 N ATOM 975 CA HIS A 101 5.707 -3.992 -5.483 1.00 0.00 C ATOM 976 C HIS A 101 5.603 -4.487 -4.044 1.00 0.00 C ATOM 977 O HIS A 101 4.511 -4.783 -3.558 1.00 0.00 O ATOM 978 CB HIS A 101 4.523 -3.075 -5.803 1.00 0.00 C ATOM 979 CG HIS A 101 4.571 -2.482 -7.178 1.00 0.00 C ATOM 980 ND1 HIS A 101 3.484 -1.839 -7.720 1.00 0.00 N ATOM 981 CD2 HIS A 101 5.588 -2.460 -8.071 1.00 0.00 C ATOM 982 CE1 HIS A 101 3.862 -1.441 -8.922 1.00 0.00 C ATOM 983 NE2 HIS A 101 5.129 -1.795 -9.180 1.00 0.00 N ATOM 0 H HIS A 101 4.826 -5.388 -6.775 1.00 0.00 H new ATOM 0 HA HIS A 101 6.630 -3.425 -5.603 1.00 0.00 H new ATOM 0 HB2 HIS A 101 3.598 -3.641 -5.694 1.00 0.00 H new ATOM 0 HB3 HIS A 101 4.492 -2.268 -5.071 1.00 0.00 H new ATOM 0 HD1 HIS A 101 2.573 -1.698 -7.284 1.00 0.00 H new ATOM 0 HD2 HIS A 101 6.572 -2.884 -7.936 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.230 -0.899 -9.610 1.00 0.00 H new ATOM 991 N TYR A 102 6.744 -4.587 -3.370 1.00 0.00 N ATOM 992 CA TYR A 102 6.778 -5.063 -1.990 1.00 0.00 C ATOM 993 C TYR A 102 6.603 -3.920 -0.993 1.00 0.00 C ATOM 994 O TYR A 102 6.902 -4.075 0.192 1.00 0.00 O ATOM 995 CB TYR A 102 8.097 -5.781 -1.715 1.00 0.00 C ATOM 996 CG TYR A 102 8.498 -6.757 -2.797 1.00 0.00 C ATOM 997 CD1 TYR A 102 7.719 -7.873 -3.075 1.00 0.00 C ATOM 998 CD2 TYR A 102 9.656 -6.564 -3.538 1.00 0.00 C ATOM 999 CE1 TYR A 102 8.083 -8.768 -4.062 1.00 0.00 C ATOM 1000 CE2 TYR A 102 10.027 -7.454 -4.527 1.00 0.00 C ATOM 1001 CZ TYR A 102 9.237 -8.554 -4.785 1.00 0.00 C ATOM 1002 OH TYR A 102 9.602 -9.444 -5.769 1.00 0.00 O ATOM 0 H TYR A 102 7.657 -4.345 -3.756 1.00 0.00 H new ATOM 0 HA TYR A 102 5.946 -5.755 -1.862 1.00 0.00 H new ATOM 0 HB2 TYR A 102 8.886 -5.039 -1.598 1.00 0.00 H new ATOM 0 HB3 TYR A 102 8.019 -6.315 -0.768 1.00 0.00 H new ATOM 0 HD1 TYR A 102 6.814 -8.044 -2.510 1.00 0.00 H new ATOM 0 HD2 TYR A 102 10.277 -5.704 -3.338 1.00 0.00 H new ATOM 0 HE1 TYR A 102 7.467 -9.631 -4.266 1.00 0.00 H new ATOM 0 HE2 TYR A 102 10.931 -7.289 -5.095 1.00 0.00 H new ATOM 0 HH TYR A 102 10.439 -9.148 -6.184 1.00 0.00 H new ATOM 1012 N LEU A 103 6.124 -2.775 -1.467 1.00 0.00 N ATOM 1013 CA LEU A 103 5.921 -1.622 -0.597 1.00 0.00 C ATOM 1014 C LEU A 103 4.450 -1.227 -0.547 1.00 0.00 C ATOM 1015 O LEU A 103 3.861 -0.853 -1.561 1.00 0.00 O ATOM 1016 CB LEU A 103 6.761 -0.439 -1.079 1.00 0.00 C ATOM 1017 CG LEU A 103 8.274 -0.624 -0.951 1.00 0.00 C ATOM 1018 CD1 LEU A 103 8.661 -0.853 0.501 1.00 0.00 C ATOM 1019 CD2 LEU A 103 8.746 -1.781 -1.818 1.00 0.00 C ATOM 0 H LEU A 103 5.870 -2.621 -2.443 1.00 0.00 H new ATOM 0 HA LEU A 103 6.237 -1.899 0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.521 -0.245 -2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.470 0.447 -0.515 1.00 0.00 H new ATOM 0 HG LEU A 103 8.763 0.286 -1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.741 -0.983 0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.358 0.007 1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.162 -1.748 0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.825 -1.897 -1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.250 -2.699 -1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.502 -1.577 -2.861 1.00 0.00 H new ATOM 1031 N THR A 104 3.863 -1.315 0.642 1.00 0.00 N ATOM 1032 CA THR A 104 2.459 -0.966 0.826 1.00 0.00 C ATOM 1033 C THR A 104 2.270 -0.130 2.087 1.00 0.00 C ATOM 1034 O THR A 104 2.814 -0.452 3.141 1.00 0.00 O ATOM 1035 CB THR A 104 1.603 -2.232 0.907 1.00 0.00 C ATOM 1036 OG1 THR A 104 0.232 -1.903 1.039 1.00 0.00 O ATOM 1037 CG2 THR A 104 1.974 -3.132 2.067 1.00 0.00 C ATOM 0 H THR A 104 4.336 -1.624 1.491 1.00 0.00 H new ATOM 0 HA THR A 104 2.141 -0.375 -0.033 1.00 0.00 H new ATOM 0 HB THR A 104 1.792 -2.769 -0.023 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.268 -2.274 0.282 1.00 0.00 H new ATOM 0 HG21 THR A 104 1.329 -4.011 2.066 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.013 -3.444 1.967 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.847 -2.589 3.004 1.00 0.00 H new ATOM 1045 N VAL A 105 1.497 0.943 1.974 1.00 0.00 N ATOM 1046 CA VAL A 105 1.244 1.821 3.110 1.00 0.00 C ATOM 1047 C VAL A 105 -0.245 1.893 3.431 1.00 0.00 C ATOM 1048 O VAL A 105 -1.059 2.254 2.581 1.00 0.00 O ATOM 1049 CB VAL A 105 1.775 3.246 2.851 1.00 0.00 C ATOM 1050 CG1 VAL A 105 1.043 3.893 1.682 1.00 0.00 C ATOM 1051 CG2 VAL A 105 1.650 4.099 4.107 1.00 0.00 C ATOM 0 H VAL A 105 1.035 1.226 1.110 1.00 0.00 H new ATOM 0 HA VAL A 105 1.774 1.395 3.962 1.00 0.00 H new ATOM 0 HB VAL A 105 2.831 3.175 2.589 1.00 0.00 H new ATOM 0 HG11 VAL A 105 1.435 4.897 1.518 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.192 3.294 0.783 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.022 3.951 1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 105 2.029 5.101 3.906 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.603 4.160 4.403 1.00 0.00 H new ATOM 0 HG23 VAL A 105 2.228 3.647 4.913 1.00 0.00 H new ATOM 1061 N ASN A 106 -0.593 1.551 4.668 1.00 0.00 N ATOM 1062 CA ASN A 106 -1.985 1.581 5.104 1.00 0.00 C ATOM 1063 C ASN A 106 -2.410 3.006 5.433 1.00 0.00 C ATOM 1064 O ASN A 106 -1.810 3.662 6.280 1.00 0.00 O ATOM 1065 CB ASN A 106 -2.185 0.679 6.323 1.00 0.00 C ATOM 1066 CG ASN A 106 -1.138 0.906 7.395 1.00 0.00 C ATOM 1067 OD1 ASN A 106 -1.115 1.951 8.044 1.00 0.00 O ATOM 1068 ND2 ASN A 106 -0.263 -0.075 7.584 1.00 0.00 N ATOM 0 H ASN A 106 0.068 1.251 5.384 1.00 0.00 H new ATOM 0 HA ASN A 106 -2.606 1.210 4.289 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -3.175 0.857 6.744 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -2.156 -0.364 6.007 1.00 0.00 H new ATOM 0 HD21 ASN A 106 0.466 0.021 8.291 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -0.320 -0.925 7.022 1.00 0.00 H new ATOM 1075 N LEU A 107 -3.446 3.482 4.752 1.00 0.00 N ATOM 1076 CA LEU A 107 -3.948 4.834 4.968 1.00 0.00 C ATOM 1077 C LEU A 107 -4.679 4.955 6.306 1.00 0.00 C ATOM 1078 O LEU A 107 -4.992 6.059 6.752 1.00 0.00 O ATOM 1079 CB LEU A 107 -4.883 5.236 3.827 1.00 0.00 C ATOM 1080 CG LEU A 107 -4.401 4.833 2.431 1.00 0.00 C ATOM 1081 CD1 LEU A 107 -5.447 3.983 1.726 1.00 0.00 C ATOM 1082 CD2 LEU A 107 -4.064 6.064 1.604 1.00 0.00 C ATOM 0 H LEU A 107 -3.955 2.951 4.045 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.091 5.507 4.990 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.861 4.788 4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.019 6.317 3.851 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.495 4.237 2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -5.085 3.707 0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.635 3.081 2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.372 4.551 1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.723 5.756 0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.951 6.689 1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.275 6.630 2.099 1.00 0.00 H new ATOM 1094 N THR A 108 -4.956 3.818 6.937 1.00 0.00 N ATOM 1095 CA THR A 108 -5.658 3.805 8.215 1.00 0.00 C ATOM 1096 C THR A 108 -4.705 4.071 9.379 1.00 0.00 C ATOM 1097 O THR A 108 -5.094 4.661 10.387 1.00 0.00 O ATOM 1098 CB THR A 108 -6.372 2.465 8.410 1.00 0.00 C ATOM 1099 OG1 THR A 108 -5.983 1.540 7.409 1.00 0.00 O ATOM 1100 CG2 THR A 108 -7.880 2.583 8.362 1.00 0.00 C ATOM 0 H THR A 108 -4.705 2.894 6.584 1.00 0.00 H new ATOM 0 HA THR A 108 -6.397 4.606 8.200 1.00 0.00 H new ATOM 0 HB THR A 108 -6.079 2.120 9.402 1.00 0.00 H new ATOM 0 HG1 THR A 108 -6.763 1.294 6.870 1.00 0.00 H new ATOM 0 HG21 THR A 108 -8.327 1.599 8.507 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.218 3.255 9.151 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.183 2.980 7.393 1.00 0.00 H new ATOM 1108 N THR A 109 -3.458 3.630 9.238 1.00 0.00 N ATOM 1109 CA THR A 109 -2.458 3.822 10.284 1.00 0.00 C ATOM 1110 C THR A 109 -1.309 4.713 9.808 1.00 0.00 C ATOM 1111 O THR A 109 -0.462 5.122 10.602 1.00 0.00 O ATOM 1112 CB THR A 109 -1.909 2.471 10.746 1.00 0.00 C ATOM 1113 OG1 THR A 109 -2.798 1.423 10.401 1.00 0.00 O ATOM 1114 CG2 THR A 109 -1.673 2.398 12.238 1.00 0.00 C ATOM 0 H THR A 109 -3.117 3.139 8.412 1.00 0.00 H new ATOM 0 HA THR A 109 -2.948 4.320 11.121 1.00 0.00 H new ATOM 0 HB THR A 109 -0.951 2.361 10.237 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.428 0.567 10.703 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.284 1.413 12.497 1.00 0.00 H new ATOM 0 HG22 THR A 109 -0.952 3.162 12.530 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.613 2.566 12.764 1.00 0.00 H new ATOM 1122 N LEU A 110 -1.283 5.007 8.512 1.00 0.00 N ATOM 1123 CA LEU A 110 -0.237 5.844 7.934 1.00 0.00 C ATOM 1124 C LEU A 110 1.135 5.197 8.103 1.00 0.00 C ATOM 1125 O LEU A 110 2.143 5.887 8.259 1.00 0.00 O ATOM 1126 CB LEU A 110 -0.245 7.231 8.580 1.00 0.00 C ATOM 1127 CG LEU A 110 -1.205 8.237 7.943 1.00 0.00 C ATOM 1128 CD1 LEU A 110 -1.070 9.598 8.608 1.00 0.00 C ATOM 1129 CD2 LEU A 110 -0.952 8.346 6.446 1.00 0.00 C ATOM 0 H LEU A 110 -1.976 4.677 7.840 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.440 5.948 6.868 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -0.503 7.123 9.633 1.00 0.00 H new ATOM 0 HB3 LEU A 110 0.765 7.640 8.539 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.224 7.880 8.093 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.761 10.301 8.142 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.304 9.509 9.669 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.049 9.961 8.491 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -1.645 9.066 6.011 1.00 0.00 H new ATOM 0 HD22 LEU A 110 0.072 8.678 6.273 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -1.102 7.372 5.980 1.00 0.00 H new ATOM 1141 N ARG A 111 1.168 3.868 8.067 1.00 0.00 N ATOM 1142 CA ARG A 111 2.416 3.128 8.213 1.00 0.00 C ATOM 1143 C ARG A 111 2.766 2.388 6.924 1.00 0.00 C ATOM 1144 O ARG A 111 1.885 2.058 6.127 1.00 0.00 O ATOM 1145 CB ARG A 111 2.317 2.135 9.374 1.00 0.00 C ATOM 1146 CG ARG A 111 1.672 2.718 10.620 1.00 0.00 C ATOM 1147 CD ARG A 111 2.640 3.602 11.388 1.00 0.00 C ATOM 1148 NE ARG A 111 3.797 2.854 11.875 1.00 0.00 N ATOM 1149 CZ ARG A 111 4.739 3.373 12.658 1.00 0.00 C ATOM 1150 NH1 ARG A 111 4.665 4.640 13.046 1.00 0.00 N ATOM 1151 NH2 ARG A 111 5.757 2.623 13.057 1.00 0.00 N ATOM 0 H ARG A 111 0.343 3.282 7.938 1.00 0.00 H new ATOM 0 HA ARG A 111 3.208 3.845 8.426 1.00 0.00 H new ATOM 0 HB2 ARG A 111 1.743 1.267 9.050 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.317 1.781 9.624 1.00 0.00 H new ATOM 0 HG2 ARG A 111 0.793 3.298 10.338 1.00 0.00 H new ATOM 0 HG3 ARG A 111 1.327 1.909 11.264 1.00 0.00 H new ATOM 0 HD2 ARG A 111 2.978 4.414 10.744 1.00 0.00 H new ATOM 0 HD3 ARG A 111 2.122 4.059 12.232 1.00 0.00 H new ATOM 0 HE ARG A 111 3.888 1.876 11.598 1.00 0.00 H new ATOM 0 HH11 ARG A 111 3.883 5.221 12.744 1.00 0.00 H new ATOM 0 HH12 ARG A 111 5.390 5.033 13.646 1.00 0.00 H new ATOM 0 HH21 ARG A 111 5.818 1.648 12.764 1.00 0.00 H new ATOM 0 HH22 ARG A 111 6.479 3.021 13.657 1.00 0.00 H new ATOM 1165 N VAL A 112 4.056 2.130 6.727 1.00 0.00 N ATOM 1166 CA VAL A 112 4.523 1.428 5.537 1.00 0.00 C ATOM 1167 C VAL A 112 4.937 -0.002 5.866 1.00 0.00 C ATOM 1168 O VAL A 112 5.377 -0.293 6.979 1.00 0.00 O ATOM 1169 CB VAL A 112 5.715 2.158 4.887 1.00 0.00 C ATOM 1170 CG1 VAL A 112 6.057 1.531 3.544 1.00 0.00 C ATOM 1171 CG2 VAL A 112 5.412 3.640 4.730 1.00 0.00 C ATOM 0 H VAL A 112 4.796 2.397 7.376 1.00 0.00 H new ATOM 0 HA VAL A 112 3.689 1.408 4.835 1.00 0.00 H new ATOM 0 HB VAL A 112 6.581 2.055 5.541 1.00 0.00 H new ATOM 0 HG11 VAL A 112 6.901 2.059 3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 112 6.320 0.483 3.688 1.00 0.00 H new ATOM 0 HG13 VAL A 112 5.195 1.601 2.880 1.00 0.00 H new ATOM 0 HG21 VAL A 112 6.265 4.139 4.270 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.533 3.767 4.098 1.00 0.00 H new ATOM 0 HG23 VAL A 112 5.221 4.078 5.710 1.00 0.00 H new ATOM 1181 N TRP A 113 4.788 -0.895 4.892 1.00 0.00 N ATOM 1182 CA TRP A 113 5.142 -2.297 5.075 1.00 0.00 C ATOM 1183 C TRP A 113 6.022 -2.795 3.931 1.00 0.00 C ATOM 1184 O TRP A 113 5.807 -2.442 2.770 1.00 0.00 O ATOM 1185 CB TRP A 113 3.878 -3.154 5.173 1.00 0.00 C ATOM 1186 CG TRP A 113 4.158 -4.616 5.342 1.00 0.00 C ATOM 1187 CD1 TRP A 113 4.091 -5.581 4.378 1.00 0.00 C ATOM 1188 CD2 TRP A 113 4.548 -5.281 6.550 1.00 0.00 C ATOM 1189 NE1 TRP A 113 4.417 -6.804 4.911 1.00 0.00 N ATOM 1190 CE2 TRP A 113 4.702 -6.647 6.242 1.00 0.00 C ATOM 1191 CE3 TRP A 113 4.784 -4.855 7.858 1.00 0.00 C ATOM 1192 CZ2 TRP A 113 5.079 -7.587 7.198 1.00 0.00 C ATOM 1193 CZ3 TRP A 113 5.160 -5.789 8.806 1.00 0.00 C ATOM 1194 CH2 TRP A 113 5.305 -7.141 8.471 1.00 0.00 C ATOM 0 H TRP A 113 4.424 -0.671 3.966 1.00 0.00 H new ATOM 0 HA TRP A 113 5.706 -2.384 6.004 1.00 0.00 H new ATOM 0 HB2 TRP A 113 3.278 -2.808 6.015 1.00 0.00 H new ATOM 0 HB3 TRP A 113 3.279 -3.008 4.274 1.00 0.00 H new ATOM 0 HD1 TRP A 113 3.821 -5.408 3.347 1.00 0.00 H new ATOM 0 HE1 TRP A 113 4.443 -7.686 4.399 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.675 -3.814 8.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 5.189 -8.631 6.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 5.345 -5.471 9.821 1.00 0.00 H new ATOM 0 HH2 TRP A 113 5.601 -7.846 9.234 1.00 0.00 H new ATOM 1205 N CYS A 114 7.009 -3.619 4.271 1.00 0.00 N ATOM 1206 CA CYS A 114 7.925 -4.174 3.282 1.00 0.00 C ATOM 1207 C CYS A 114 7.812 -5.696 3.231 1.00 0.00 C ATOM 1208 O CYS A 114 8.203 -6.389 4.174 1.00 0.00 O ATOM 1209 CB CYS A 114 9.363 -3.769 3.610 1.00 0.00 C ATOM 1210 SG CYS A 114 10.532 -4.054 2.263 1.00 0.00 S ATOM 0 H CYS A 114 7.195 -3.918 5.229 1.00 0.00 H new ATOM 0 HA CYS A 114 7.655 -3.775 2.305 1.00 0.00 H new ATOM 0 HB2 CYS A 114 9.380 -2.712 3.875 1.00 0.00 H new ATOM 0 HB3 CYS A 114 9.694 -4.323 4.488 1.00 0.00 H new ATOM 0 HG CYS A 114 11.487 -3.174 2.323 1.00 0.00 H new ATOM 1215 N TYR A 115 7.269 -6.209 2.129 1.00 0.00 N ATOM 1216 CA TYR A 115 7.097 -7.648 1.953 1.00 0.00 C ATOM 1217 C TYR A 115 8.440 -8.354 1.778 1.00 0.00 C ATOM 1218 O TYR A 115 8.658 -9.435 2.325 1.00 0.00 O ATOM 1219 CB TYR A 115 6.203 -7.937 0.743 1.00 0.00 C ATOM 1220 CG TYR A 115 4.732 -7.691 0.995 1.00 0.00 C ATOM 1221 CD1 TYR A 115 4.079 -6.611 0.414 1.00 0.00 C ATOM 1222 CD2 TYR A 115 3.996 -8.542 1.811 1.00 0.00 C ATOM 1223 CE1 TYR A 115 2.734 -6.385 0.639 1.00 0.00 C ATOM 1224 CE2 TYR A 115 2.651 -8.322 2.040 1.00 0.00 C ATOM 1225 CZ TYR A 115 2.025 -7.243 1.453 1.00 0.00 C ATOM 1226 OH TYR A 115 0.685 -7.022 1.678 1.00 0.00 O ATOM 0 H TYR A 115 6.940 -5.648 1.343 1.00 0.00 H new ATOM 0 HA TYR A 115 6.621 -8.033 2.855 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.527 -7.316 -0.092 1.00 0.00 H new ATOM 0 HB3 TYR A 115 6.341 -8.975 0.441 1.00 0.00 H new ATOM 0 HD1 TYR A 115 4.631 -5.937 -0.224 1.00 0.00 H new ATOM 0 HD2 TYR A 115 4.483 -9.388 2.273 1.00 0.00 H new ATOM 0 HE1 TYR A 115 2.241 -5.541 0.180 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.093 -8.993 2.676 1.00 0.00 H new ATOM 0 HH TYR A 115 0.476 -7.207 2.617 1.00 0.00 H new ATOM 1236 N ALA A 116 9.336 -7.740 1.010 1.00 0.00 N ATOM 1237 CA ALA A 116 10.652 -8.318 0.760 1.00 0.00 C ATOM 1238 C ALA A 116 11.416 -8.512 2.062 1.00 0.00 C ATOM 1239 O ALA A 116 11.896 -9.607 2.356 1.00 0.00 O ATOM 1240 CB ALA A 116 11.443 -7.435 -0.192 1.00 0.00 C ATOM 0 H ALA A 116 9.175 -6.844 0.551 1.00 0.00 H new ATOM 0 HA ALA A 116 10.514 -9.296 0.299 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.423 -7.878 -0.370 1.00 0.00 H new ATOM 0 HB2 ALA A 116 10.907 -7.348 -1.137 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.567 -6.445 0.248 1.00 0.00 H new ATOM 1246 N CYS A 117 11.513 -7.444 2.843 1.00 0.00 N ATOM 1247 CA CYS A 117 12.208 -7.497 4.121 1.00 0.00 C ATOM 1248 C CYS A 117 11.420 -8.340 5.117 1.00 0.00 C ATOM 1249 O CYS A 117 11.992 -8.965 6.009 1.00 0.00 O ATOM 1250 CB CYS A 117 12.416 -6.087 4.678 1.00 0.00 C ATOM 1251 SG CYS A 117 13.885 -5.250 4.038 1.00 0.00 S ATOM 0 H CYS A 117 11.119 -6.531 2.614 1.00 0.00 H new ATOM 0 HA CYS A 117 13.183 -7.957 3.963 1.00 0.00 H new ATOM 0 HB2 CYS A 117 11.538 -5.484 4.448 1.00 0.00 H new ATOM 0 HB3 CYS A 117 12.488 -6.144 5.764 1.00 0.00 H new ATOM 0 HG CYS A 117 13.535 -4.139 3.461 1.00 0.00 H new ATOM 1256 N SER A 118 10.097 -8.344 4.956 1.00 0.00 N ATOM 1257 CA SER A 118 9.212 -9.100 5.838 1.00 0.00 C ATOM 1258 C SER A 118 9.067 -8.388 7.178 1.00 0.00 C ATOM 1259 O SER A 118 9.305 -8.972 8.235 1.00 0.00 O ATOM 1260 CB SER A 118 9.740 -10.522 6.051 1.00 0.00 C ATOM 1261 OG SER A 118 10.399 -11.000 4.891 1.00 0.00 O ATOM 0 H SER A 118 9.614 -7.830 4.219 1.00 0.00 H new ATOM 0 HA SER A 118 8.233 -9.165 5.364 1.00 0.00 H new ATOM 0 HB2 SER A 118 10.429 -10.535 6.896 1.00 0.00 H new ATOM 0 HB3 SER A 118 8.913 -11.186 6.303 1.00 0.00 H new ATOM 0 HG SER A 118 10.728 -11.909 5.053 1.00 0.00 H new ATOM 1267 N LYS A 119 8.683 -7.117 7.122 1.00 0.00 N ATOM 1268 CA LYS A 119 8.516 -6.320 8.333 1.00 0.00 C ATOM 1269 C LYS A 119 7.930 -4.950 8.010 1.00 0.00 C ATOM 1270 O LYS A 119 7.728 -4.607 6.845 1.00 0.00 O ATOM 1271 CB LYS A 119 9.860 -6.156 9.049 1.00 0.00 C ATOM 1272 CG LYS A 119 11.056 -6.099 8.107 1.00 0.00 C ATOM 1273 CD LYS A 119 11.955 -4.909 8.406 1.00 0.00 C ATOM 1274 CE LYS A 119 11.227 -3.592 8.193 1.00 0.00 C ATOM 1275 NZ LYS A 119 11.738 -2.523 9.096 1.00 0.00 N ATOM 0 H LYS A 119 8.482 -6.618 6.255 1.00 0.00 H new ATOM 0 HA LYS A 119 7.822 -6.845 8.989 1.00 0.00 H new ATOM 0 HB2 LYS A 119 9.835 -5.243 9.645 1.00 0.00 H new ATOM 0 HB3 LYS A 119 9.995 -6.986 9.743 1.00 0.00 H new ATOM 0 HG2 LYS A 119 11.632 -7.020 8.195 1.00 0.00 H new ATOM 0 HG3 LYS A 119 10.705 -6.039 7.077 1.00 0.00 H new ATOM 0 HD2 LYS A 119 12.308 -4.968 9.436 1.00 0.00 H new ATOM 0 HD3 LYS A 119 12.835 -4.947 7.765 1.00 0.00 H new ATOM 0 HE2 LYS A 119 11.342 -3.277 7.156 1.00 0.00 H new ATOM 0 HE3 LYS A 119 10.160 -3.735 8.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 10.945 -1.933 9.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 12.204 -2.957 9.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 12.422 -1.932 8.582 1.00 0.00 H new ATOM 1289 N GLU A 120 7.664 -4.169 9.052 1.00 0.00 N ATOM 1290 CA GLU A 120 7.105 -2.833 8.884 1.00 0.00 C ATOM 1291 C GLU A 120 8.213 -1.802 8.699 1.00 0.00 C ATOM 1292 O GLU A 120 9.221 -1.827 9.406 1.00 0.00 O ATOM 1293 CB GLU A 120 6.243 -2.462 10.093 1.00 0.00 C ATOM 1294 CG GLU A 120 5.376 -1.234 9.869 1.00 0.00 C ATOM 1295 CD GLU A 120 5.143 -0.445 11.143 1.00 0.00 C ATOM 1296 OE1 GLU A 120 6.138 -0.027 11.771 1.00 0.00 O ATOM 1297 OE2 GLU A 120 3.967 -0.247 11.513 1.00 0.00 O ATOM 0 H GLU A 120 7.827 -4.439 10.022 1.00 0.00 H new ATOM 0 HA GLU A 120 6.481 -2.836 7.990 1.00 0.00 H new ATOM 0 HB2 GLU A 120 5.603 -3.307 10.345 1.00 0.00 H new ATOM 0 HB3 GLU A 120 6.892 -2.287 10.951 1.00 0.00 H new ATOM 0 HG2 GLU A 120 5.849 -0.590 9.128 1.00 0.00 H new ATOM 0 HG3 GLU A 120 4.416 -1.542 9.456 1.00 0.00 H new ATOM 1304 N VAL A 121 8.022 -0.899 7.745 1.00 0.00 N ATOM 1305 CA VAL A 121 9.008 0.138 7.466 1.00 0.00 C ATOM 1306 C VAL A 121 8.399 1.530 7.598 1.00 0.00 C ATOM 1307 O VAL A 121 7.178 1.681 7.659 1.00 0.00 O ATOM 1308 CB VAL A 121 9.603 -0.020 6.055 1.00 0.00 C ATOM 1309 CG1 VAL A 121 10.552 -1.207 6.005 1.00 0.00 C ATOM 1310 CG2 VAL A 121 8.496 -0.172 5.023 1.00 0.00 C ATOM 0 H VAL A 121 7.193 -0.864 7.151 1.00 0.00 H new ATOM 0 HA VAL A 121 9.803 0.024 8.203 1.00 0.00 H new ATOM 0 HB VAL A 121 10.170 0.880 5.818 1.00 0.00 H new ATOM 0 HG11 VAL A 121 10.962 -1.303 5.000 1.00 0.00 H new ATOM 0 HG12 VAL A 121 11.364 -1.054 6.716 1.00 0.00 H new ATOM 0 HG13 VAL A 121 10.011 -2.117 6.264 1.00 0.00 H new ATOM 0 HG21 VAL A 121 8.935 -0.282 4.032 1.00 0.00 H new ATOM 0 HG22 VAL A 121 7.900 -1.054 5.256 1.00 0.00 H new ATOM 0 HG23 VAL A 121 7.858 0.712 5.041 1.00 0.00 H new ATOM 1320 N PHE A 122 9.256 2.544 7.640 1.00 0.00 N ATOM 1321 CA PHE A 122 8.804 3.925 7.764 1.00 0.00 C ATOM 1322 C PHE A 122 9.190 4.737 6.532 1.00 0.00 C ATOM 1323 O PHE A 122 10.214 4.474 5.899 1.00 0.00 O ATOM 1324 CB PHE A 122 9.400 4.567 9.018 1.00 0.00 C ATOM 1325 CG PHE A 122 10.902 4.587 9.027 1.00 0.00 C ATOM 1326 CD1 PHE A 122 11.595 5.746 8.715 1.00 0.00 C ATOM 1327 CD2 PHE A 122 11.620 3.446 9.345 1.00 0.00 C ATOM 1328 CE1 PHE A 122 12.977 5.767 8.723 1.00 0.00 C ATOM 1329 CE2 PHE A 122 13.003 3.460 9.354 1.00 0.00 C ATOM 1330 CZ PHE A 122 13.682 4.622 9.043 1.00 0.00 C ATOM 0 H PHE A 122 10.269 2.435 7.590 1.00 0.00 H new ATOM 0 HA PHE A 122 7.717 3.919 7.847 1.00 0.00 H new ATOM 0 HB2 PHE A 122 9.031 5.589 9.103 1.00 0.00 H new ATOM 0 HB3 PHE A 122 9.047 4.026 9.896 1.00 0.00 H new ATOM 0 HD1 PHE A 122 11.049 6.643 8.463 1.00 0.00 H new ATOM 0 HD2 PHE A 122 11.094 2.535 9.589 1.00 0.00 H new ATOM 0 HE1 PHE A 122 13.505 6.677 8.480 1.00 0.00 H new ATOM 0 HE2 PHE A 122 13.551 2.564 9.604 1.00 0.00 H new ATOM 0 HZ PHE A 122 14.762 4.636 9.050 1.00 0.00 H new