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 76:sc= 0.626 USER MOD Set 1.2: A 41 HIS : no HD1:sc= -4.62! C(o=-3.4!,f=-13!) USER MOD Set 1.3: A 114 CYS SG : rot 151:sc= 0.546 USER MOD Set 1.4: A 117 CYS SG : rot 125:sc= 0.0596 USER MOD Set 2.1: A 106 ASN : amide:sc= -2.06 K(o=-2,f=-11!) USER MOD Set 2.2: A 109 THR OG1 : rot 84:sc= 0.083 USER MOD Set 3.1: A 74 CYS SG : rot 80:sc= -1.81 USER MOD Set 3.2: A 79 CYS SG : rot -11:sc= -0.262 USER MOD Set 3.3: A 95 HIS : no HE2:sc= -2.21 X(o=-9.7,f=-9.2) USER MOD Set 3.4: A 99 THR OG1 : rot 157:sc= -0.303! USER MOD Set 3.5: A 101 HIS : no HE2:sc= -5.13! K(o=-9.7!,f=-14) USER MOD Set 4.1: A 96 SER OG : rot 34:sc= -0.935! USER MOD Set 4.2: A 97 GLN : amide:sc= -7.61! C(o=-8.5!,f=-13!) USER MOD Set 5.1: A 93 THR OG1 : rot 83:sc= 1.59 USER MOD Set 5.2: A 115 TYR OH : rot -54:sc= 0.593 USER MOD Set 6.1: A 92 SER OG : rot -80:sc= -1.11 USER MOD Set 6.2: A 104 THR OG1 : rot 90:sc= -0.724 USER MOD Set 7.1: A 61 CYS SG : rot 142:sc= -0.211 USER MOD Set 7.2: A 64 CYS SG : rot -37:sc= 0.661 USER MOD Set 7.3: A 84 CYS SG : rot 180:sc= -0.659 USER MOD Set 7.4: A 91 HIS : no HE2:sc= -0.555 K(o=-0.76,f=-2.6) USER MOD Single : A 44 SER OG : rot -57:sc= 1.21 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= -0.955 K(o=-0.95,f=-2.5!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -35:sc= 1.27 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -3.24! C(o=-3.2!,f=-11!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.713 X(o=-0.71,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= -0.495 X(o=-0.5,f=0) 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 108 THR OG1 : rot 170:sc= 0.00601 USER MOD Single : A 118 SER OG : rot 180:sc= -0.176 USER MOD Single : A 119 LYS NZ :NH3+ -158:sc= 0.515 (180deg=-0.0425) USER MOD ----------------------------------------------------------------- ATOM 59 N CYS A 39 16.272 0.486 3.799 1.00 0.00 N ATOM 60 CA CYS A 39 15.781 -0.564 2.914 1.00 0.00 C ATOM 61 C CYS A 39 15.699 -0.054 1.470 1.00 0.00 C ATOM 62 O CYS A 39 15.195 1.042 1.215 1.00 0.00 O ATOM 63 CB CYS A 39 14.413 -1.064 3.405 1.00 0.00 C ATOM 64 SG CYS A 39 13.280 -1.604 2.102 1.00 0.00 S ATOM 0 HA CYS A 39 16.479 -1.401 2.932 1.00 0.00 H new ATOM 0 HB2 CYS A 39 14.573 -1.894 4.093 1.00 0.00 H new ATOM 0 HB3 CYS A 39 13.935 -0.266 3.973 1.00 0.00 H new ATOM 0 HG CYS A 39 13.644 -2.774 1.668 1.00 0.00 H new ATOM 69 N PRO A 40 16.202 -0.845 0.503 1.00 0.00 N ATOM 70 CA PRO A 40 16.194 -0.468 -0.918 1.00 0.00 C ATOM 71 C PRO A 40 14.794 -0.452 -1.525 1.00 0.00 C ATOM 72 O PRO A 40 14.439 0.467 -2.262 1.00 0.00 O ATOM 73 CB PRO A 40 17.043 -1.557 -1.579 1.00 0.00 C ATOM 74 CG PRO A 40 16.926 -2.731 -0.671 1.00 0.00 C ATOM 75 CD PRO A 40 16.825 -2.165 0.718 1.00 0.00 C ATOM 0 HA PRO A 40 16.572 0.544 -1.063 1.00 0.00 H new ATOM 0 HB2 PRO A 40 16.678 -1.792 -2.579 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.081 -1.240 -1.685 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.047 -3.328 -0.915 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.792 -3.386 -0.765 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.217 -2.796 1.366 1.00 0.00 H new ATOM 0 HD3 PRO A 40 17.804 -2.076 1.188 1.00 0.00 H new ATOM 83 N HIS A 41 14.005 -1.479 -1.221 1.00 0.00 N ATOM 84 CA HIS A 41 12.647 -1.591 -1.744 1.00 0.00 C ATOM 85 C HIS A 41 11.885 -0.271 -1.610 1.00 0.00 C ATOM 86 O HIS A 41 11.372 0.263 -2.593 1.00 0.00 O ATOM 87 CB HIS A 41 11.900 -2.714 -1.022 1.00 0.00 C ATOM 88 CG HIS A 41 12.709 -3.967 -0.862 1.00 0.00 C ATOM 89 ND1 HIS A 41 13.246 -4.327 0.351 1.00 0.00 N ATOM 90 CD2 HIS A 41 13.045 -4.900 -1.787 1.00 0.00 C ATOM 91 CE1 HIS A 41 13.891 -5.460 0.141 1.00 0.00 C ATOM 92 NE2 HIS A 41 13.797 -5.847 -1.140 1.00 0.00 N ATOM 0 H HIS A 41 14.285 -2.248 -0.613 1.00 0.00 H new ATOM 0 HA HIS A 41 12.712 -1.829 -2.806 1.00 0.00 H new ATOM 0 HB2 HIS A 41 11.594 -2.361 -0.037 1.00 0.00 H new ATOM 0 HB3 HIS A 41 10.990 -2.947 -1.574 1.00 0.00 H new ATOM 0 HD2 HIS A 41 12.773 -4.898 -2.832 1.00 0.00 H new ATOM 0 HE1 HIS A 41 14.426 -6.006 0.904 1.00 0.00 H new ATOM 0 HE2 HIS A 41 14.206 -6.685 -1.553 1.00 0.00 H new ATOM 100 N LEU A 42 11.821 0.251 -0.389 1.00 0.00 N ATOM 101 CA LEU A 42 11.130 1.507 -0.125 1.00 0.00 C ATOM 102 C LEU A 42 11.961 2.695 -0.600 1.00 0.00 C ATOM 103 O LEU A 42 11.421 3.686 -1.093 1.00 0.00 O ATOM 104 CB LEU A 42 10.835 1.646 1.370 1.00 0.00 C ATOM 105 CG LEU A 42 12.064 1.613 2.279 1.00 0.00 C ATOM 106 CD1 LEU A 42 12.610 3.017 2.489 1.00 0.00 C ATOM 107 CD2 LEU A 42 11.723 0.965 3.612 1.00 0.00 C ATOM 0 H LEU A 42 12.241 -0.179 0.435 1.00 0.00 H new ATOM 0 HA LEU A 42 10.190 1.498 -0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.306 2.585 1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.160 0.843 1.668 1.00 0.00 H new ATOM 0 HG LEU A 42 12.836 1.015 1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 42 13.484 2.974 3.138 1.00 0.00 H new ATOM 0 HD12 LEU A 42 12.893 3.445 1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.844 3.640 2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.609 0.950 4.246 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.935 1.536 4.103 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.380 -0.056 3.443 1.00 0.00 H new ATOM 119 N ASP A 43 13.277 2.592 -0.448 1.00 0.00 N ATOM 120 CA ASP A 43 14.179 3.660 -0.863 1.00 0.00 C ATOM 121 C ASP A 43 14.046 3.944 -2.358 1.00 0.00 C ATOM 122 O ASP A 43 14.398 5.028 -2.825 1.00 0.00 O ATOM 123 CB ASP A 43 15.626 3.293 -0.528 1.00 0.00 C ATOM 124 CG ASP A 43 16.600 4.401 -0.878 1.00 0.00 C ATOM 125 OD1 ASP A 43 16.297 5.575 -0.575 1.00 0.00 O ATOM 126 OD2 ASP A 43 17.665 4.095 -1.453 1.00 0.00 O ATOM 0 H ASP A 43 13.742 1.781 -0.041 1.00 0.00 H new ATOM 0 HA ASP A 43 13.903 4.563 -0.318 1.00 0.00 H new ATOM 0 HB2 ASP A 43 15.704 3.067 0.536 1.00 0.00 H new ATOM 0 HB3 ASP A 43 15.902 2.387 -1.067 1.00 0.00 H new ATOM 131 N SER A 44 13.544 2.965 -3.108 1.00 0.00 N ATOM 132 CA SER A 44 13.375 3.118 -4.548 1.00 0.00 C ATOM 133 C SER A 44 12.049 3.797 -4.882 1.00 0.00 C ATOM 134 O SER A 44 11.991 4.674 -5.743 1.00 0.00 O ATOM 135 CB SER A 44 13.446 1.753 -5.236 1.00 0.00 C ATOM 136 OG SER A 44 12.310 0.965 -4.925 1.00 0.00 O ATOM 0 H SER A 44 13.248 2.060 -2.742 1.00 0.00 H new ATOM 0 HA SER A 44 14.184 3.750 -4.914 1.00 0.00 H new ATOM 0 HB2 SER A 44 13.513 1.889 -6.315 1.00 0.00 H new ATOM 0 HB3 SER A 44 14.351 1.231 -4.924 1.00 0.00 H new ATOM 0 HG SER A 44 12.235 0.868 -3.953 1.00 0.00 H new ATOM 142 N VAL A 45 10.987 3.385 -4.196 1.00 0.00 N ATOM 143 CA VAL A 45 9.665 3.955 -4.425 1.00 0.00 C ATOM 144 C VAL A 45 9.542 5.337 -3.790 1.00 0.00 C ATOM 145 O VAL A 45 10.269 5.669 -2.855 1.00 0.00 O ATOM 146 CB VAL A 45 8.553 3.044 -3.869 1.00 0.00 C ATOM 147 CG1 VAL A 45 8.579 1.688 -4.555 1.00 0.00 C ATOM 148 CG2 VAL A 45 8.687 2.887 -2.362 1.00 0.00 C ATOM 0 H VAL A 45 11.017 2.660 -3.479 1.00 0.00 H new ATOM 0 HA VAL A 45 9.544 4.043 -5.505 1.00 0.00 H new ATOM 0 HB VAL A 45 7.592 3.514 -4.077 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.787 1.059 -4.149 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.425 1.819 -5.626 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.544 1.212 -4.383 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.892 2.240 -1.991 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.655 2.444 -2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.611 3.865 -1.886 1.00 0.00 H new ATOM 158 N GLY A 46 8.613 6.138 -4.306 1.00 0.00 N ATOM 159 CA GLY A 46 8.410 7.474 -3.778 1.00 0.00 C ATOM 160 C GLY A 46 7.097 7.609 -3.032 1.00 0.00 C ATOM 161 O GLY A 46 6.153 6.860 -3.281 1.00 0.00 O ATOM 0 H GLY A 46 7.998 5.885 -5.080 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.232 7.726 -3.108 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.435 8.193 -4.597 1.00 0.00 H new ATOM 165 N GLU A 47 7.037 8.569 -2.114 1.00 0.00 N ATOM 166 CA GLU A 47 5.830 8.799 -1.327 1.00 0.00 C ATOM 167 C GLU A 47 4.705 9.340 -2.205 1.00 0.00 C ATOM 168 O GLU A 47 4.952 9.915 -3.264 1.00 0.00 O ATOM 169 CB GLU A 47 6.120 9.778 -0.187 1.00 0.00 C ATOM 170 CG GLU A 47 5.398 9.433 1.106 1.00 0.00 C ATOM 171 CD GLU A 47 6.085 10.012 2.328 1.00 0.00 C ATOM 172 OE1 GLU A 47 6.753 11.060 2.193 1.00 0.00 O ATOM 173 OE2 GLU A 47 5.954 9.420 3.419 1.00 0.00 O ATOM 0 H GLU A 47 7.809 9.199 -1.897 1.00 0.00 H new ATOM 0 HA GLU A 47 5.511 7.846 -0.906 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.194 9.798 -0.000 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.832 10.782 -0.498 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.375 9.806 1.058 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.338 8.349 1.207 1.00 0.00 H new ATOM 180 N ILE A 48 3.468 9.150 -1.756 1.00 0.00 N ATOM 181 CA ILE A 48 2.305 9.617 -2.499 1.00 0.00 C ATOM 182 C ILE A 48 1.775 10.925 -1.924 1.00 0.00 C ATOM 183 O ILE A 48 1.878 11.175 -0.722 1.00 0.00 O ATOM 184 CB ILE A 48 1.174 8.571 -2.489 1.00 0.00 C ATOM 185 CG1 ILE A 48 1.719 7.194 -2.871 1.00 0.00 C ATOM 186 CG2 ILE A 48 0.059 8.987 -3.437 1.00 0.00 C ATOM 187 CD1 ILE A 48 0.677 6.097 -2.827 1.00 0.00 C ATOM 0 H ILE A 48 3.246 8.676 -0.881 1.00 0.00 H new ATOM 0 HA ILE A 48 2.631 9.779 -3.526 1.00 0.00 H new ATOM 0 HB ILE A 48 0.764 8.511 -1.481 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.139 7.245 -3.875 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.535 6.936 -2.197 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.733 8.238 -3.419 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.345 9.950 -3.123 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.455 9.072 -4.449 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.135 5.149 -3.109 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.274 6.019 -1.817 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.129 6.332 -3.522 1.00 0.00 H new ATOM 199 N THR A 49 1.205 11.759 -2.788 1.00 0.00 N ATOM 200 CA THR A 49 0.658 13.043 -2.365 1.00 0.00 C ATOM 201 C THR A 49 -0.688 12.856 -1.672 1.00 0.00 C ATOM 202 O THR A 49 -1.344 11.827 -1.832 1.00 0.00 O ATOM 203 CB THR A 49 0.501 13.975 -3.566 1.00 0.00 C ATOM 204 OG1 THR A 49 -0.544 13.530 -4.414 1.00 0.00 O ATOM 205 CG2 THR A 49 1.756 14.088 -4.404 1.00 0.00 C ATOM 0 H THR A 49 1.110 11.568 -3.786 1.00 0.00 H new ATOM 0 HA THR A 49 1.354 13.492 -1.656 1.00 0.00 H new ATOM 0 HB THR A 49 0.276 14.954 -3.144 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.630 14.141 -5.176 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.576 14.764 -5.240 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.569 14.477 -3.791 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.028 13.104 -4.786 1.00 0.00 H new ATOM 213 N LYS A 50 -1.094 13.860 -0.901 1.00 0.00 N ATOM 214 CA LYS A 50 -2.362 13.808 -0.184 1.00 0.00 C ATOM 215 C LYS A 50 -3.534 13.702 -1.155 1.00 0.00 C ATOM 216 O LYS A 50 -4.570 13.120 -0.831 1.00 0.00 O ATOM 217 CB LYS A 50 -2.523 15.047 0.699 1.00 0.00 C ATOM 218 CG LYS A 50 -2.073 14.835 2.135 1.00 0.00 C ATOM 219 CD LYS A 50 -3.167 14.191 2.972 1.00 0.00 C ATOM 220 CE LYS A 50 -2.588 13.426 4.151 1.00 0.00 C ATOM 221 NZ LYS A 50 -3.596 13.218 5.228 1.00 0.00 N ATOM 0 H LYS A 50 -0.563 14.719 -0.757 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.358 12.919 0.447 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.952 15.868 0.266 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.570 15.351 0.696 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.184 14.205 2.150 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.793 15.792 2.575 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.849 14.960 3.335 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.752 13.514 2.350 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.217 12.460 3.810 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.734 13.971 4.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.161 12.693 6.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.932 14.140 5.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.399 12.676 4.851 1.00 0.00 H new ATOM 235 N GLU A 51 -3.366 14.271 -2.344 1.00 0.00 N ATOM 236 CA GLU A 51 -4.414 14.241 -3.359 1.00 0.00 C ATOM 237 C GLU A 51 -4.730 12.810 -3.779 1.00 0.00 C ATOM 238 O GLU A 51 -5.894 12.419 -3.859 1.00 0.00 O ATOM 239 CB GLU A 51 -3.990 15.060 -4.580 1.00 0.00 C ATOM 240 CG GLU A 51 -5.161 15.583 -5.397 1.00 0.00 C ATOM 241 CD GLU A 51 -5.825 16.787 -4.759 1.00 0.00 C ATOM 242 OE1 GLU A 51 -6.774 16.592 -3.971 1.00 0.00 O ATOM 243 OE2 GLU A 51 -5.396 17.924 -5.047 1.00 0.00 O ATOM 0 H GLU A 51 -2.516 14.758 -2.629 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.314 14.678 -2.927 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.383 15.903 -4.249 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.358 14.444 -5.219 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.813 15.851 -6.394 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.897 14.789 -5.519 1.00 0.00 H new ATOM 250 N ASP A 52 -3.687 12.029 -4.045 1.00 0.00 N ATOM 251 CA ASP A 52 -3.859 10.640 -4.454 1.00 0.00 C ATOM 252 C ASP A 52 -4.303 9.776 -3.279 1.00 0.00 C ATOM 253 O ASP A 52 -5.089 8.844 -3.443 1.00 0.00 O ATOM 254 CB ASP A 52 -2.555 10.094 -5.041 1.00 0.00 C ATOM 255 CG ASP A 52 -2.503 10.223 -6.552 1.00 0.00 C ATOM 256 OD1 ASP A 52 -2.132 9.235 -7.219 1.00 0.00 O ATOM 257 OD2 ASP A 52 -2.836 11.311 -7.066 1.00 0.00 O ATOM 0 H ASP A 52 -2.716 12.334 -3.985 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.636 10.607 -5.218 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.711 10.628 -4.604 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.446 9.045 -4.764 1.00 0.00 H new ATOM 262 N LEU A 53 -3.792 10.093 -2.094 1.00 0.00 N ATOM 263 CA LEU A 53 -4.135 9.343 -0.890 1.00 0.00 C ATOM 264 C LEU A 53 -5.571 9.625 -0.458 1.00 0.00 C ATOM 265 O LEU A 53 -6.240 8.758 0.101 1.00 0.00 O ATOM 266 CB LEU A 53 -3.167 9.686 0.245 1.00 0.00 C ATOM 267 CG LEU A 53 -1.773 9.065 0.122 1.00 0.00 C ATOM 268 CD1 LEU A 53 -0.964 9.315 1.386 1.00 0.00 C ATOM 269 CD2 LEU A 53 -1.873 7.573 -0.161 1.00 0.00 C ATOM 0 H LEU A 53 -3.140 10.862 -1.941 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.050 8.281 -1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.061 10.770 0.296 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.609 9.364 1.188 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.260 9.539 -0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.024 8.866 1.280 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.860 10.388 1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.475 8.870 2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.872 7.151 -0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.406 7.083 0.654 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.413 7.415 -1.095 1.00 0.00 H new ATOM 281 N ILE A 54 -6.039 10.843 -0.721 1.00 0.00 N ATOM 282 CA ILE A 54 -7.399 11.231 -0.356 1.00 0.00 C ATOM 283 C ILE A 54 -8.419 10.238 -0.909 1.00 0.00 C ATOM 284 O ILE A 54 -9.365 9.855 -0.222 1.00 0.00 O ATOM 285 CB ILE A 54 -7.728 12.663 -0.850 1.00 0.00 C ATOM 286 CG1 ILE A 54 -8.594 13.390 0.180 1.00 0.00 C ATOM 287 CG2 ILE A 54 -8.419 12.643 -2.210 1.00 0.00 C ATOM 288 CD1 ILE A 54 -7.855 13.742 1.453 1.00 0.00 C ATOM 0 H ILE A 54 -5.500 11.575 -1.183 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.459 11.222 0.732 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.787 13.201 -0.967 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.986 14.304 -0.267 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.451 12.764 0.429 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.634 13.664 -2.524 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.767 12.168 -2.943 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.351 12.082 -2.136 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.532 14.255 2.136 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.486 12.831 1.924 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.014 14.394 1.217 1.00 0.00 H new ATOM 300 N GLN A 55 -8.212 9.822 -2.155 1.00 0.00 N ATOM 301 CA GLN A 55 -9.106 8.869 -2.801 1.00 0.00 C ATOM 302 C GLN A 55 -8.987 7.500 -2.149 1.00 0.00 C ATOM 303 O GLN A 55 -9.985 6.815 -1.927 1.00 0.00 O ATOM 304 CB GLN A 55 -8.792 8.774 -4.296 1.00 0.00 C ATOM 305 CG GLN A 55 -9.703 9.625 -5.165 1.00 0.00 C ATOM 306 CD GLN A 55 -9.342 11.097 -5.120 1.00 0.00 C ATOM 307 OE1 GLN A 55 -9.994 11.887 -4.436 1.00 0.00 O ATOM 308 NE2 GLN A 55 -8.301 11.474 -5.851 1.00 0.00 N ATOM 0 H GLN A 55 -7.433 10.130 -2.737 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.131 9.221 -2.681 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -7.758 9.078 -4.462 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -8.873 7.733 -4.610 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.650 9.273 -6.195 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.735 9.497 -4.838 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.789 10.786 -6.403 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.012 12.452 -5.861 1.00 0.00 H new ATOM 317 N LYS A 56 -7.760 7.114 -1.830 1.00 0.00 N ATOM 318 CA LYS A 56 -7.509 5.834 -1.185 1.00 0.00 C ATOM 319 C LYS A 56 -8.048 5.852 0.241 1.00 0.00 C ATOM 320 O LYS A 56 -8.487 4.830 0.766 1.00 0.00 O ATOM 321 CB LYS A 56 -6.009 5.525 -1.180 1.00 0.00 C ATOM 322 CG LYS A 56 -5.356 5.663 -2.546 1.00 0.00 C ATOM 323 CD LYS A 56 -3.844 5.764 -2.433 1.00 0.00 C ATOM 324 CE LYS A 56 -3.225 6.303 -3.712 1.00 0.00 C ATOM 325 NZ LYS A 56 -3.082 5.246 -4.751 1.00 0.00 N ATOM 0 H LYS A 56 -6.923 7.669 -2.007 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.022 5.053 -1.746 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.511 6.194 -0.479 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.857 4.510 -0.814 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.619 4.805 -3.165 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.744 6.549 -3.048 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.583 6.415 -1.599 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.428 4.781 -2.212 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.843 7.112 -4.101 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.246 6.728 -3.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.656 5.656 -5.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.471 4.485 -4.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.019 4.858 -4.982 1.00 0.00 H new ATOM 339 N SER A 57 -8.005 7.029 0.858 1.00 0.00 N ATOM 340 CA SER A 57 -8.482 7.203 2.224 1.00 0.00 C ATOM 341 C SER A 57 -10.008 7.149 2.298 1.00 0.00 C ATOM 342 O SER A 57 -10.576 7.046 3.385 1.00 0.00 O ATOM 343 CB SER A 57 -7.983 8.533 2.792 1.00 0.00 C ATOM 344 OG SER A 57 -8.801 9.610 2.366 1.00 0.00 O ATOM 0 H SER A 57 -7.642 7.881 0.430 1.00 0.00 H new ATOM 0 HA SER A 57 -8.085 6.381 2.820 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.976 8.487 3.881 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.955 8.705 2.473 1.00 0.00 H new ATOM 0 HG SER A 57 -9.114 9.442 1.453 1.00 0.00 H new ATOM 350 N LEU A 58 -10.674 7.222 1.146 1.00 0.00 N ATOM 351 CA LEU A 58 -12.133 7.182 1.116 1.00 0.00 C ATOM 352 C LEU A 58 -12.654 5.855 1.667 1.00 0.00 C ATOM 353 O LEU A 58 -13.815 5.751 2.061 1.00 0.00 O ATOM 354 CB LEU A 58 -12.648 7.392 -0.308 1.00 0.00 C ATOM 355 CG LEU A 58 -12.846 8.853 -0.717 1.00 0.00 C ATOM 356 CD1 LEU A 58 -13.049 8.966 -2.219 1.00 0.00 C ATOM 357 CD2 LEU A 58 -14.027 9.457 0.031 1.00 0.00 C ATOM 0 H LEU A 58 -10.231 7.308 0.231 1.00 0.00 H new ATOM 0 HA LEU A 58 -12.502 7.990 1.748 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.948 6.928 -1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.598 6.869 -0.415 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.948 9.411 -0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -13.188 10.013 -2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -12.174 8.571 -2.735 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -13.931 8.396 -2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -14.155 10.497 -0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.932 8.897 -0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.840 9.411 1.104 1.00 0.00 H new ATOM 369 N GLY A 59 -11.786 4.846 1.702 1.00 0.00 N ATOM 370 CA GLY A 59 -12.180 3.548 2.219 1.00 0.00 C ATOM 371 C GLY A 59 -12.798 2.652 1.162 1.00 0.00 C ATOM 372 O GLY A 59 -13.875 2.095 1.368 1.00 0.00 O ATOM 0 H GLY A 59 -10.819 4.905 1.382 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.307 3.052 2.643 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.893 3.688 3.031 1.00 0.00 H new ATOM 376 N THR A 60 -12.113 2.505 0.033 1.00 0.00 N ATOM 377 CA THR A 60 -12.607 1.661 -1.049 1.00 0.00 C ATOM 378 C THR A 60 -11.456 0.950 -1.754 1.00 0.00 C ATOM 379 O THR A 60 -10.407 1.543 -2.006 1.00 0.00 O ATOM 380 CB THR A 60 -13.399 2.497 -2.056 1.00 0.00 C ATOM 381 OG1 THR A 60 -12.658 3.637 -2.454 1.00 0.00 O ATOM 382 CG2 THR A 60 -14.730 2.978 -1.519 1.00 0.00 C ATOM 0 H THR A 60 -11.218 2.957 -0.156 1.00 0.00 H new ATOM 0 HA THR A 60 -13.265 0.907 -0.616 1.00 0.00 H new ATOM 0 HB THR A 60 -13.585 1.833 -2.900 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.180 4.158 -3.099 1.00 0.00 H new ATOM 0 HG21 THR A 60 -15.240 3.564 -2.283 1.00 0.00 H new ATOM 0 HG22 THR A 60 -15.345 2.120 -1.249 1.00 0.00 H new ATOM 0 HG23 THR A 60 -14.564 3.597 -0.637 1.00 0.00 H new ATOM 390 N CYS A 61 -11.662 -0.324 -2.075 1.00 0.00 N ATOM 391 CA CYS A 61 -10.644 -1.116 -2.755 1.00 0.00 C ATOM 392 C CYS A 61 -10.748 -0.947 -4.268 1.00 0.00 C ATOM 393 O CYS A 61 -11.846 -0.845 -4.817 1.00 0.00 O ATOM 394 CB CYS A 61 -10.779 -2.593 -2.381 1.00 0.00 C ATOM 395 SG CYS A 61 -9.354 -3.605 -2.846 1.00 0.00 S ATOM 0 H CYS A 61 -12.525 -0.829 -1.875 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.665 -0.759 -2.434 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -10.931 -2.672 -1.305 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.671 -2.998 -2.860 1.00 0.00 H new ATOM 0 HG CYS A 61 -9.122 -4.482 -1.915 1.00 0.00 H new ATOM 400 N GLN A 62 -9.601 -0.913 -4.937 1.00 0.00 N ATOM 401 CA GLN A 62 -9.564 -0.753 -6.386 1.00 0.00 C ATOM 402 C GLN A 62 -9.917 -2.057 -7.095 1.00 0.00 C ATOM 403 O GLN A 62 -10.433 -2.045 -8.213 1.00 0.00 O ATOM 404 CB GLN A 62 -8.179 -0.278 -6.831 1.00 0.00 C ATOM 405 CG GLN A 62 -8.215 0.670 -8.018 1.00 0.00 C ATOM 406 CD GLN A 62 -7.544 1.998 -7.727 1.00 0.00 C ATOM 407 OE1 GLN A 62 -6.414 2.042 -7.240 1.00 0.00 O ATOM 408 NE2 GLN A 62 -8.239 3.090 -8.022 1.00 0.00 N ATOM 0 H GLN A 62 -8.684 -0.994 -4.499 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.307 -0.004 -6.659 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.688 0.219 -5.994 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.571 -1.146 -7.088 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.724 0.198 -8.869 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.251 0.847 -8.305 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.173 3.007 -8.425 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.839 4.012 -7.846 1.00 0.00 H new ATOM 417 N ASP A 63 -9.636 -3.179 -6.442 1.00 0.00 N ATOM 418 CA ASP A 63 -9.923 -4.490 -7.015 1.00 0.00 C ATOM 419 C ASP A 63 -11.329 -4.954 -6.648 1.00 0.00 C ATOM 420 O ASP A 63 -12.114 -5.333 -7.516 1.00 0.00 O ATOM 421 CB ASP A 63 -8.893 -5.515 -6.536 1.00 0.00 C ATOM 422 CG ASP A 63 -7.613 -5.471 -7.346 1.00 0.00 C ATOM 423 OD1 ASP A 63 -7.698 -5.311 -8.582 1.00 0.00 O ATOM 424 OD2 ASP A 63 -6.525 -5.597 -6.746 1.00 0.00 O ATOM 0 H ASP A 63 -9.210 -3.208 -5.516 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.864 -4.403 -8.100 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.662 -5.331 -5.487 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.324 -6.514 -6.597 1.00 0.00 H new ATOM 429 N CYS A 64 -11.637 -4.927 -5.356 1.00 0.00 N ATOM 430 CA CYS A 64 -12.946 -5.351 -4.872 1.00 0.00 C ATOM 431 C CYS A 64 -13.670 -4.198 -4.177 1.00 0.00 C ATOM 432 O CYS A 64 -13.292 -3.036 -4.327 1.00 0.00 O ATOM 433 CB CYS A 64 -12.793 -6.538 -3.915 1.00 0.00 C ATOM 434 SG CYS A 64 -11.978 -6.134 -2.351 1.00 0.00 S ATOM 0 H CYS A 64 -10.998 -4.616 -4.625 1.00 0.00 H new ATOM 0 HA CYS A 64 -13.546 -5.661 -5.728 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -13.781 -6.947 -3.701 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -12.225 -7.322 -4.415 1.00 0.00 H new ATOM 0 HG CYS A 64 -11.029 -5.272 -2.566 1.00 0.00 H new ATOM 439 N LYS A 65 -14.712 -4.525 -3.418 1.00 0.00 N ATOM 440 CA LYS A 65 -15.485 -3.517 -2.703 1.00 0.00 C ATOM 441 C LYS A 65 -15.728 -3.946 -1.259 1.00 0.00 C ATOM 442 O LYS A 65 -16.852 -4.270 -0.877 1.00 0.00 O ATOM 443 CB LYS A 65 -16.820 -3.272 -3.408 1.00 0.00 C ATOM 444 CG LYS A 65 -17.631 -2.140 -2.797 1.00 0.00 C ATOM 445 CD LYS A 65 -18.392 -1.360 -3.859 1.00 0.00 C ATOM 446 CE LYS A 65 -18.080 0.126 -3.792 1.00 0.00 C ATOM 447 NZ LYS A 65 -19.016 0.851 -2.887 1.00 0.00 N ATOM 0 H LYS A 65 -15.040 -5.481 -3.283 1.00 0.00 H new ATOM 0 HA LYS A 65 -14.912 -2.590 -2.697 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -16.631 -3.047 -4.458 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -17.410 -4.188 -3.379 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -18.334 -2.546 -2.070 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -16.966 -1.466 -2.256 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -18.134 -1.742 -4.847 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -19.463 -1.514 -3.727 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -17.057 0.267 -3.444 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -18.138 0.554 -4.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -18.769 1.861 -2.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -19.990 0.739 -3.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -18.943 0.460 -1.926 1.00 0.00 H new ATOM 529 N LEU A 71 -7.479 -0.137 5.097 1.00 0.00 N ATOM 530 CA LEU A 71 -7.175 -0.306 3.681 1.00 0.00 C ATOM 531 C LEU A 71 -5.726 0.071 3.384 1.00 0.00 C ATOM 532 O LEU A 71 -5.193 1.027 3.951 1.00 0.00 O ATOM 533 CB LEU A 71 -8.122 0.542 2.830 1.00 0.00 C ATOM 534 CG LEU A 71 -9.370 -0.189 2.332 1.00 0.00 C ATOM 535 CD1 LEU A 71 -10.205 0.723 1.447 1.00 0.00 C ATOM 536 CD2 LEU A 71 -8.983 -1.454 1.582 1.00 0.00 C ATOM 0 HA LEU A 71 -7.315 -1.357 3.429 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.435 1.408 3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.572 0.920 1.968 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.971 -0.472 3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.089 0.186 1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.513 1.600 2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.613 1.038 0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.883 -1.961 1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.361 -1.193 0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.427 -2.115 2.247 1.00 0.00 H new ATOM 548 N TRP A 72 -5.096 -0.686 2.494 1.00 0.00 N ATOM 549 CA TRP A 72 -3.710 -0.435 2.121 1.00 0.00 C ATOM 550 C TRP A 72 -3.620 0.151 0.716 1.00 0.00 C ATOM 551 O TRP A 72 -4.542 0.011 -0.088 1.00 0.00 O ATOM 552 CB TRP A 72 -2.896 -1.727 2.203 1.00 0.00 C ATOM 553 CG TRP A 72 -2.866 -2.321 3.579 1.00 0.00 C ATOM 554 CD1 TRP A 72 -3.933 -2.774 4.298 1.00 0.00 C ATOM 555 CD2 TRP A 72 -1.711 -2.525 4.400 1.00 0.00 C ATOM 556 NE1 TRP A 72 -3.514 -3.248 5.517 1.00 0.00 N ATOM 557 CE2 TRP A 72 -2.154 -3.106 5.604 1.00 0.00 C ATOM 558 CE3 TRP A 72 -0.347 -2.273 4.235 1.00 0.00 C ATOM 559 CZ2 TRP A 72 -1.279 -3.439 6.636 1.00 0.00 C ATOM 560 CZ3 TRP A 72 0.520 -2.604 5.260 1.00 0.00 C ATOM 561 CH2 TRP A 72 0.051 -3.182 6.447 1.00 0.00 C ATOM 0 H TRP A 72 -5.524 -1.480 2.017 1.00 0.00 H new ATOM 0 HA TRP A 72 -3.297 0.290 2.822 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.313 -2.456 1.509 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -1.875 -1.526 1.879 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -4.958 -2.762 3.958 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -4.117 -3.642 6.240 1.00 0.00 H new ATOM 0 HE3 TRP A 72 0.024 -1.828 3.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.638 -3.884 7.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.577 -2.414 5.144 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.754 -3.430 7.229 1.00 0.00 H new ATOM 572 N ALA A 73 -2.504 0.809 0.429 1.00 0.00 N ATOM 573 CA ALA A 73 -2.291 1.418 -0.878 1.00 0.00 C ATOM 574 C ALA A 73 -0.850 1.232 -1.339 1.00 0.00 C ATOM 575 O ALA A 73 0.081 1.281 -0.534 1.00 0.00 O ATOM 576 CB ALA A 73 -2.647 2.896 -0.835 1.00 0.00 C ATOM 0 H ALA A 73 -1.732 0.935 1.084 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.943 0.920 -1.596 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.483 3.338 -1.818 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.694 3.010 -0.556 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.019 3.400 -0.101 1.00 0.00 H new ATOM 582 N CYS A 74 -0.673 1.020 -2.638 1.00 0.00 N ATOM 583 CA CYS A 74 0.656 0.828 -3.204 1.00 0.00 C ATOM 584 C CYS A 74 1.546 2.035 -2.925 1.00 0.00 C ATOM 585 O CYS A 74 1.134 3.180 -3.112 1.00 0.00 O ATOM 586 CB CYS A 74 0.560 0.581 -4.710 1.00 0.00 C ATOM 587 SG CYS A 74 2.102 0.013 -5.461 1.00 0.00 S ATOM 0 H CYS A 74 -1.432 0.977 -3.318 1.00 0.00 H new ATOM 0 HA CYS A 74 1.105 -0.045 -2.730 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -0.218 -0.159 -4.898 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.247 1.503 -5.200 1.00 0.00 H new ATOM 0 HG CYS A 74 2.249 -1.260 -5.241 1.00 0.00 H new ATOM 592 N LEU A 75 2.766 1.770 -2.468 1.00 0.00 N ATOM 593 CA LEU A 75 3.716 2.831 -2.152 1.00 0.00 C ATOM 594 C LEU A 75 4.459 3.307 -3.399 1.00 0.00 C ATOM 595 O LEU A 75 5.012 4.406 -3.417 1.00 0.00 O ATOM 596 CB LEU A 75 4.718 2.344 -1.106 1.00 0.00 C ATOM 597 CG LEU A 75 5.593 3.436 -0.487 1.00 0.00 C ATOM 598 CD1 LEU A 75 4.746 4.402 0.327 1.00 0.00 C ATOM 599 CD2 LEU A 75 6.681 2.818 0.378 1.00 0.00 C ATOM 0 H LEU A 75 3.121 0.827 -2.308 1.00 0.00 H new ATOM 0 HA LEU A 75 3.153 3.674 -1.752 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.171 1.842 -0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.366 1.598 -1.566 1.00 0.00 H new ATOM 0 HG LEU A 75 6.069 3.995 -1.293 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.386 5.171 0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.003 4.869 -0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.241 3.859 1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.294 3.608 0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.223 2.235 1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.306 2.167 -0.233 1.00 0.00 H new ATOM 611 N GLU A 76 4.474 2.477 -4.438 1.00 0.00 N ATOM 612 CA GLU A 76 5.155 2.822 -5.683 1.00 0.00 C ATOM 613 C GLU A 76 4.681 4.174 -6.209 1.00 0.00 C ATOM 614 O GLU A 76 3.498 4.362 -6.489 1.00 0.00 O ATOM 615 CB GLU A 76 4.915 1.737 -6.736 1.00 0.00 C ATOM 616 CG GLU A 76 6.172 1.330 -7.489 1.00 0.00 C ATOM 617 CD GLU A 76 6.827 0.091 -6.909 1.00 0.00 C ATOM 618 OE1 GLU A 76 7.999 -0.175 -7.250 1.00 0.00 O ATOM 619 OE2 GLU A 76 6.170 -0.613 -6.113 1.00 0.00 O ATOM 0 H GLU A 76 4.023 1.562 -4.443 1.00 0.00 H new ATOM 0 HA GLU A 76 6.223 2.890 -5.477 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.492 0.858 -6.250 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.173 2.094 -7.450 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.922 1.148 -8.534 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.884 2.155 -7.471 1.00 0.00 H new ATOM 626 N ASN A 77 5.613 5.114 -6.337 1.00 0.00 N ATOM 627 CA ASN A 77 5.292 6.451 -6.825 1.00 0.00 C ATOM 628 C ASN A 77 4.659 6.392 -8.211 1.00 0.00 C ATOM 629 O ASN A 77 3.778 7.188 -8.536 1.00 0.00 O ATOM 630 CB ASN A 77 6.552 7.317 -6.865 1.00 0.00 C ATOM 631 CG ASN A 77 6.263 8.743 -7.259 1.00 0.00 C ATOM 632 OD1 ASN A 77 5.115 9.121 -7.493 1.00 0.00 O ATOM 633 ND2 ASN A 77 7.313 9.544 -7.334 1.00 0.00 N ATOM 0 H ASN A 77 6.597 4.974 -6.109 1.00 0.00 H new ATOM 0 HA ASN A 77 4.573 6.896 -6.138 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.028 7.304 -5.885 1.00 0.00 H new ATOM 0 HB3 ASN A 77 7.262 6.886 -7.570 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.191 10.522 -7.595 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.245 9.183 -7.130 1.00 0.00 H new ATOM 640 N ARG A 78 5.112 5.445 -9.023 1.00 0.00 N ATOM 641 CA ARG A 78 4.590 5.281 -10.375 1.00 0.00 C ATOM 642 C ARG A 78 3.247 4.558 -10.358 1.00 0.00 C ATOM 643 O ARG A 78 2.415 4.752 -11.245 1.00 0.00 O ATOM 644 CB ARG A 78 5.587 4.507 -11.239 1.00 0.00 C ATOM 645 CG ARG A 78 6.920 5.217 -11.415 1.00 0.00 C ATOM 646 CD ARG A 78 6.895 6.161 -12.606 1.00 0.00 C ATOM 647 NE ARG A 78 8.216 6.307 -13.216 1.00 0.00 N ATOM 648 CZ ARG A 78 8.528 7.263 -14.087 1.00 0.00 C ATOM 649 NH1 ARG A 78 7.620 8.161 -14.452 1.00 0.00 N ATOM 650 NH2 ARG A 78 9.752 7.324 -14.593 1.00 0.00 N ATOM 0 H ARG A 78 5.841 4.778 -8.769 1.00 0.00 H new ATOM 0 HA ARG A 78 4.442 6.273 -10.802 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.762 3.530 -10.790 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.146 4.332 -12.220 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.157 5.777 -10.510 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.711 4.480 -11.550 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.191 5.788 -13.350 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.533 7.138 -12.287 1.00 0.00 H new ATOM 0 HE ARG A 78 8.941 5.637 -12.959 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.678 8.120 -14.064 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.865 8.892 -15.120 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.454 6.638 -14.314 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.992 8.057 -15.261 1.00 0.00 H new ATOM 664 N CYS A 79 3.042 3.722 -9.345 1.00 0.00 N ATOM 665 CA CYS A 79 1.800 2.969 -9.213 1.00 0.00 C ATOM 666 C CYS A 79 0.810 3.702 -8.313 1.00 0.00 C ATOM 667 O CYS A 79 1.203 4.416 -7.391 1.00 0.00 O ATOM 668 CB CYS A 79 2.085 1.576 -8.649 1.00 0.00 C ATOM 669 SG CYS A 79 0.880 0.318 -9.136 1.00 0.00 S ATOM 0 H CYS A 79 3.720 3.549 -8.603 1.00 0.00 H new ATOM 0 HA CYS A 79 1.356 2.871 -10.204 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.076 1.260 -8.976 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.112 1.635 -7.561 1.00 0.00 H new ATOM 0 HG CYS A 79 -0.146 0.892 -9.692 1.00 0.00 H new ATOM 674 N SER A 80 -0.477 3.516 -8.586 1.00 0.00 N ATOM 675 CA SER A 80 -1.526 4.157 -7.802 1.00 0.00 C ATOM 676 C SER A 80 -2.712 3.214 -7.621 1.00 0.00 C ATOM 677 O SER A 80 -3.859 3.583 -7.878 1.00 0.00 O ATOM 678 CB SER A 80 -1.982 5.452 -8.477 1.00 0.00 C ATOM 679 OG SER A 80 -1.977 5.321 -9.887 1.00 0.00 O ATOM 0 H SER A 80 -0.819 2.926 -9.345 1.00 0.00 H new ATOM 0 HA SER A 80 -1.120 4.398 -6.820 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.985 5.710 -8.136 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.325 6.270 -8.182 1.00 0.00 H new ATOM 0 HG SER A 80 -2.274 6.161 -10.295 1.00 0.00 H new ATOM 685 N TYR A 81 -2.424 1.994 -7.184 1.00 0.00 N ATOM 686 CA TYR A 81 -3.461 0.991 -6.974 1.00 0.00 C ATOM 687 C TYR A 81 -3.849 0.898 -5.501 1.00 0.00 C ATOM 688 O TYR A 81 -3.013 1.074 -4.615 1.00 0.00 O ATOM 689 CB TYR A 81 -2.979 -0.373 -7.469 1.00 0.00 C ATOM 690 CG TYR A 81 -2.977 -0.506 -8.974 1.00 0.00 C ATOM 691 CD1 TYR A 81 -2.261 0.381 -9.768 1.00 0.00 C ATOM 692 CD2 TYR A 81 -3.690 -1.519 -9.603 1.00 0.00 C ATOM 693 CE1 TYR A 81 -2.255 0.263 -11.145 1.00 0.00 C ATOM 694 CE2 TYR A 81 -3.690 -1.644 -10.979 1.00 0.00 C ATOM 695 CZ TYR A 81 -2.971 -0.751 -11.745 1.00 0.00 C ATOM 696 OH TYR A 81 -2.969 -0.872 -13.116 1.00 0.00 O ATOM 0 H TYR A 81 -1.480 1.675 -6.968 1.00 0.00 H new ATOM 0 HA TYR A 81 -4.341 1.293 -7.541 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.970 -0.549 -7.096 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.616 -1.149 -7.045 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -1.699 1.177 -9.301 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -4.254 -2.221 -9.006 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.693 0.961 -11.748 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -4.250 -2.437 -11.452 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.521 -1.638 -13.378 1.00 0.00 H new ATOM 706 N VAL A 82 -5.123 0.615 -5.251 1.00 0.00 N ATOM 707 CA VAL A 82 -5.629 0.491 -3.889 1.00 0.00 C ATOM 708 C VAL A 82 -6.030 -0.949 -3.592 1.00 0.00 C ATOM 709 O VAL A 82 -6.776 -1.564 -4.354 1.00 0.00 O ATOM 710 CB VAL A 82 -6.844 1.408 -3.649 1.00 0.00 C ATOM 711 CG1 VAL A 82 -7.166 1.489 -2.164 1.00 0.00 C ATOM 712 CG2 VAL A 82 -6.593 2.794 -4.223 1.00 0.00 C ATOM 0 H VAL A 82 -5.825 0.467 -5.976 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.823 0.794 -3.221 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.705 0.979 -4.163 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.027 2.141 -2.013 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.395 0.492 -1.786 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.307 1.892 -1.627 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.463 3.425 -4.043 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.719 3.234 -3.742 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.417 2.717 -5.296 1.00 0.00 H new ATOM 722 N GLY A 83 -5.529 -1.485 -2.483 1.00 0.00 N ATOM 723 CA GLY A 83 -5.849 -2.852 -2.117 1.00 0.00 C ATOM 724 C GLY A 83 -6.053 -3.028 -0.625 1.00 0.00 C ATOM 725 O GLY A 83 -5.670 -2.169 0.168 1.00 0.00 O ATOM 0 H GLY A 83 -4.910 -0.999 -1.834 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.753 -3.162 -2.642 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.046 -3.510 -2.449 1.00 0.00 H new ATOM 729 N CYS A 84 -6.654 -4.150 -0.245 1.00 0.00 N ATOM 730 CA CYS A 84 -6.906 -4.445 1.162 1.00 0.00 C ATOM 731 C CYS A 84 -5.906 -5.473 1.684 1.00 0.00 C ATOM 732 O CYS A 84 -5.552 -6.423 0.984 1.00 0.00 O ATOM 733 CB CYS A 84 -8.338 -4.953 1.361 1.00 0.00 C ATOM 734 SG CYS A 84 -8.882 -6.167 0.135 1.00 0.00 S ATOM 0 H CYS A 84 -6.976 -4.871 -0.891 1.00 0.00 H new ATOM 0 HA CYS A 84 -6.783 -3.522 1.728 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -8.418 -5.397 2.353 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -9.018 -4.102 1.337 1.00 0.00 H new ATOM 0 HG CYS A 84 -10.103 -6.530 0.396 1.00 0.00 H new ATOM 739 N GLY A 85 -5.450 -5.269 2.916 1.00 0.00 N ATOM 740 CA GLY A 85 -4.488 -6.177 3.514 1.00 0.00 C ATOM 741 C GLY A 85 -5.048 -7.569 3.730 1.00 0.00 C ATOM 742 O GLY A 85 -6.143 -7.886 3.265 1.00 0.00 O ATOM 0 H GLY A 85 -5.730 -4.490 3.512 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.608 -6.240 2.874 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.158 -5.771 4.470 1.00 0.00 H new ATOM 746 N GLU A 86 -4.290 -8.402 4.437 1.00 0.00 N ATOM 747 CA GLU A 86 -4.707 -9.772 4.716 1.00 0.00 C ATOM 748 C GLU A 86 -5.976 -9.804 5.565 1.00 0.00 C ATOM 749 O GLU A 86 -6.652 -10.830 5.645 1.00 0.00 O ATOM 750 CB GLU A 86 -3.587 -10.530 5.431 1.00 0.00 C ATOM 751 CG GLU A 86 -3.251 -9.968 6.803 1.00 0.00 C ATOM 752 CD GLU A 86 -3.516 -10.957 7.922 1.00 0.00 C ATOM 753 OE1 GLU A 86 -4.560 -10.825 8.596 1.00 0.00 O ATOM 754 OE2 GLU A 86 -2.681 -11.864 8.122 1.00 0.00 O ATOM 0 H GLU A 86 -3.382 -8.151 4.828 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.921 -10.256 3.763 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.877 -11.575 5.537 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.692 -10.509 4.810 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -2.201 -9.675 6.824 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.837 -9.065 6.975 1.00 0.00 H new ATOM 761 N SER A 87 -6.297 -8.680 6.199 1.00 0.00 N ATOM 762 CA SER A 87 -7.486 -8.592 7.040 1.00 0.00 C ATOM 763 C SER A 87 -8.755 -8.821 6.222 1.00 0.00 C ATOM 764 O SER A 87 -9.811 -9.129 6.775 1.00 0.00 O ATOM 765 CB SER A 87 -7.547 -7.227 7.729 1.00 0.00 C ATOM 766 OG SER A 87 -7.400 -7.357 9.133 1.00 0.00 O ATOM 0 H SER A 87 -5.752 -7.820 6.147 1.00 0.00 H new ATOM 0 HA SER A 87 -7.422 -9.373 7.798 1.00 0.00 H new ATOM 0 HB2 SER A 87 -6.761 -6.582 7.336 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.498 -6.744 7.503 1.00 0.00 H new ATOM 0 HG SER A 87 -7.441 -6.471 9.550 1.00 0.00 H new ATOM 772 N GLN A 88 -8.648 -8.673 4.903 1.00 0.00 N ATOM 773 CA GLN A 88 -9.791 -8.868 4.019 1.00 0.00 C ATOM 774 C GLN A 88 -9.510 -9.961 2.992 1.00 0.00 C ATOM 775 O GLN A 88 -10.081 -11.049 3.060 1.00 0.00 O ATOM 776 CB GLN A 88 -10.140 -7.559 3.308 1.00 0.00 C ATOM 777 CG GLN A 88 -10.497 -6.428 4.260 1.00 0.00 C ATOM 778 CD GLN A 88 -11.993 -6.203 4.367 1.00 0.00 C ATOM 779 OE1 GLN A 88 -12.458 -5.065 4.430 1.00 0.00 O ATOM 780 NE2 GLN A 88 -12.757 -7.290 4.391 1.00 0.00 N ATOM 0 H GLN A 88 -7.783 -8.419 4.426 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.639 -9.181 4.628 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.294 -7.252 2.693 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.978 -7.734 2.633 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.096 -6.651 5.249 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.019 -5.509 3.921 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -12.330 -8.215 4.336 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.770 -7.200 4.464 1.00 0.00 H new ATOM 789 N VAL A 89 -8.630 -9.665 2.040 1.00 0.00 N ATOM 790 CA VAL A 89 -8.281 -10.629 1.000 1.00 0.00 C ATOM 791 C VAL A 89 -6.805 -10.536 0.618 1.00 0.00 C ATOM 792 O VAL A 89 -6.397 -11.035 -0.431 1.00 0.00 O ATOM 793 CB VAL A 89 -9.137 -10.422 -0.265 1.00 0.00 C ATOM 794 CG1 VAL A 89 -8.952 -11.582 -1.231 1.00 0.00 C ATOM 795 CG2 VAL A 89 -10.605 -10.256 0.103 1.00 0.00 C ATOM 0 H VAL A 89 -8.147 -8.770 1.967 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.480 -11.617 1.414 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.804 -9.509 -0.760 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.564 -11.418 -2.118 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.904 -11.650 -1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.256 -12.510 -0.747 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -11.193 -10.111 -0.803 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -10.953 -11.149 0.623 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.721 -9.389 0.754 1.00 0.00 H new ATOM 805 N ASP A 90 -6.004 -9.897 1.471 1.00 0.00 N ATOM 806 CA ASP A 90 -4.574 -9.748 1.213 1.00 0.00 C ATOM 807 C ASP A 90 -4.320 -9.247 -0.208 1.00 0.00 C ATOM 808 O ASP A 90 -3.310 -9.586 -0.828 1.00 0.00 O ATOM 809 CB ASP A 90 -3.854 -11.080 1.434 1.00 0.00 C ATOM 810 CG ASP A 90 -2.668 -10.951 2.372 1.00 0.00 C ATOM 811 OD1 ASP A 90 -2.174 -11.993 2.850 1.00 0.00 O ATOM 812 OD2 ASP A 90 -2.233 -9.807 2.627 1.00 0.00 O ATOM 0 H ASP A 90 -6.321 -9.476 2.344 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.182 -9.009 1.911 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.557 -11.806 1.841 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.514 -11.469 0.474 1.00 0.00 H new ATOM 817 N HIS A 91 -5.241 -8.432 -0.713 1.00 0.00 N ATOM 818 CA HIS A 91 -5.121 -7.878 -2.057 1.00 0.00 C ATOM 819 C HIS A 91 -3.789 -7.156 -2.224 1.00 0.00 C ATOM 820 O HIS A 91 -3.168 -7.214 -3.285 1.00 0.00 O ATOM 821 CB HIS A 91 -6.279 -6.921 -2.342 1.00 0.00 C ATOM 822 CG HIS A 91 -7.339 -7.509 -3.221 1.00 0.00 C ATOM 823 ND1 HIS A 91 -8.665 -7.194 -3.050 1.00 0.00 N ATOM 824 CD2 HIS A 91 -7.220 -8.382 -4.250 1.00 0.00 C ATOM 825 CE1 HIS A 91 -9.321 -7.876 -3.971 1.00 0.00 C ATOM 826 NE2 HIS A 91 -8.487 -8.612 -4.723 1.00 0.00 N ATOM 0 H HIS A 91 -6.080 -8.140 -0.211 1.00 0.00 H new ATOM 0 HA HIS A 91 -5.160 -8.700 -2.772 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -6.729 -6.617 -1.397 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.887 -6.019 -2.813 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -9.062 -6.563 -2.354 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -6.304 -8.814 -4.626 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.393 -7.846 -4.103 1.00 0.00 H new ATOM 834 N SER A 92 -3.353 -6.482 -1.166 1.00 0.00 N ATOM 835 CA SER A 92 -2.091 -5.756 -1.195 1.00 0.00 C ATOM 836 C SER A 92 -0.934 -6.711 -1.468 1.00 0.00 C ATOM 837 O SER A 92 0.021 -6.365 -2.167 1.00 0.00 O ATOM 838 CB SER A 92 -1.866 -5.025 0.130 1.00 0.00 C ATOM 839 OG SER A 92 -2.194 -3.651 0.016 1.00 0.00 O ATOM 0 H SER A 92 -3.854 -6.424 -0.280 1.00 0.00 H new ATOM 0 HA SER A 92 -2.136 -5.021 -1.998 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.474 -5.484 0.910 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.825 -5.130 0.434 1.00 0.00 H new ATOM 0 HG SER A 92 -1.453 -3.172 -0.410 1.00 0.00 H new ATOM 845 N THR A 93 -1.030 -7.919 -0.921 1.00 0.00 N ATOM 846 CA THR A 93 0.004 -8.927 -1.112 1.00 0.00 C ATOM 847 C THR A 93 -0.001 -9.431 -2.550 1.00 0.00 C ATOM 848 O THR A 93 1.040 -9.478 -3.208 1.00 0.00 O ATOM 849 CB THR A 93 -0.202 -10.094 -0.146 1.00 0.00 C ATOM 850 OG1 THR A 93 -0.209 -9.640 1.196 1.00 0.00 O ATOM 851 CG2 THR A 93 0.863 -11.164 -0.262 1.00 0.00 C ATOM 0 H THR A 93 -1.813 -8.222 -0.342 1.00 0.00 H new ATOM 0 HA THR A 93 0.971 -8.468 -0.906 1.00 0.00 H new ATOM 0 HB THR A 93 -1.163 -10.529 -0.421 1.00 0.00 H new ATOM 0 HG1 THR A 93 -1.103 -9.309 1.425 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.656 -11.962 0.451 1.00 0.00 H new ATOM 0 HG22 THR A 93 0.861 -11.571 -1.273 1.00 0.00 H new ATOM 0 HG23 THR A 93 1.840 -10.730 -0.048 1.00 0.00 H new ATOM 859 N ILE A 94 -1.181 -9.798 -3.038 1.00 0.00 N ATOM 860 CA ILE A 94 -1.313 -10.288 -4.405 1.00 0.00 C ATOM 861 C ILE A 94 -0.794 -9.251 -5.390 1.00 0.00 C ATOM 862 O ILE A 94 0.014 -9.558 -6.266 1.00 0.00 O ATOM 863 CB ILE A 94 -2.775 -10.632 -4.767 1.00 0.00 C ATOM 864 CG1 ILE A 94 -3.477 -11.311 -3.587 1.00 0.00 C ATOM 865 CG2 ILE A 94 -2.817 -11.517 -6.006 1.00 0.00 C ATOM 866 CD1 ILE A 94 -4.835 -11.887 -3.933 1.00 0.00 C ATOM 0 H ILE A 94 -2.054 -9.766 -2.512 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.722 -11.201 -4.469 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.307 -9.706 -4.988 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.840 -12.110 -3.208 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.594 -10.587 -2.781 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.853 -11.752 -6.250 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.357 -10.993 -6.843 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.271 -12.441 -5.812 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.270 -12.351 -3.048 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.490 -11.089 -4.283 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.724 -12.636 -4.717 1.00 0.00 H new ATOM 878 N HIS A 95 -1.255 -8.014 -5.228 1.00 0.00 N ATOM 879 CA HIS A 95 -0.825 -6.923 -6.094 1.00 0.00 C ATOM 880 C HIS A 95 0.689 -6.762 -6.017 1.00 0.00 C ATOM 881 O HIS A 95 1.351 -6.511 -7.024 1.00 0.00 O ATOM 882 CB HIS A 95 -1.517 -5.616 -5.693 1.00 0.00 C ATOM 883 CG HIS A 95 -0.985 -4.408 -6.406 1.00 0.00 C ATOM 884 ND1 HIS A 95 -1.604 -3.819 -7.486 1.00 0.00 N ATOM 885 CD2 HIS A 95 0.138 -3.681 -6.174 1.00 0.00 C ATOM 886 CE1 HIS A 95 -0.854 -2.775 -7.869 1.00 0.00 C ATOM 887 NE2 HIS A 95 0.214 -2.648 -7.106 1.00 0.00 N ATOM 0 H HIS A 95 -1.924 -7.744 -4.507 1.00 0.00 H new ATOM 0 HA HIS A 95 -1.104 -7.161 -7.120 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -2.585 -5.704 -5.894 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -1.405 -5.471 -4.618 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -2.477 -4.122 -7.918 1.00 0.00 H new ATOM 0 HD2 HIS A 95 0.858 -3.873 -5.392 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -1.094 -2.123 -8.696 1.00 0.00 H new ATOM 895 N SER A 96 1.230 -6.916 -4.811 1.00 0.00 N ATOM 896 CA SER A 96 2.665 -6.797 -4.597 1.00 0.00 C ATOM 897 C SER A 96 3.423 -7.803 -5.456 1.00 0.00 C ATOM 898 O SER A 96 4.456 -7.484 -6.039 1.00 0.00 O ATOM 899 CB SER A 96 3.000 -7.009 -3.118 1.00 0.00 C ATOM 900 OG SER A 96 4.395 -7.170 -2.928 1.00 0.00 O ATOM 0 H SER A 96 0.694 -7.123 -3.968 1.00 0.00 H new ATOM 0 HA SER A 96 2.973 -5.793 -4.889 1.00 0.00 H new ATOM 0 HB2 SER A 96 2.647 -6.157 -2.536 1.00 0.00 H new ATOM 0 HB3 SER A 96 2.475 -7.889 -2.746 1.00 0.00 H new ATOM 0 HG SER A 96 4.879 -6.620 -3.579 1.00 0.00 H new ATOM 906 N GLN A 97 2.907 -9.022 -5.534 1.00 0.00 N ATOM 907 CA GLN A 97 3.549 -10.064 -6.327 1.00 0.00 C ATOM 908 C GLN A 97 3.414 -9.777 -7.821 1.00 0.00 C ATOM 909 O GLN A 97 4.391 -9.837 -8.567 1.00 0.00 O ATOM 910 CB GLN A 97 2.943 -11.430 -6.002 1.00 0.00 C ATOM 911 CG GLN A 97 3.486 -12.049 -4.724 1.00 0.00 C ATOM 912 CD GLN A 97 3.020 -11.319 -3.480 1.00 0.00 C ATOM 913 OE1 GLN A 97 2.141 -11.794 -2.760 1.00 0.00 O ATOM 914 NE2 GLN A 97 3.608 -10.158 -3.223 1.00 0.00 N ATOM 0 H GLN A 97 2.051 -9.314 -5.062 1.00 0.00 H new ATOM 0 HA GLN A 97 4.609 -10.075 -6.073 1.00 0.00 H new ATOM 0 HB2 GLN A 97 1.861 -11.327 -5.915 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.132 -12.109 -6.833 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.173 -13.092 -4.668 1.00 0.00 H new ATOM 0 HG3 GLN A 97 4.575 -12.045 -4.757 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.332 -9.804 -3.848 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.336 -9.620 -2.400 1.00 0.00 H new ATOM 923 N GLU A 98 2.193 -9.468 -8.250 1.00 0.00 N ATOM 924 CA GLU A 98 1.918 -9.180 -9.656 1.00 0.00 C ATOM 925 C GLU A 98 2.889 -8.147 -10.227 1.00 0.00 C ATOM 926 O GLU A 98 3.454 -8.344 -11.302 1.00 0.00 O ATOM 927 CB GLU A 98 0.478 -8.688 -9.820 1.00 0.00 C ATOM 928 CG GLU A 98 -0.446 -9.715 -10.455 1.00 0.00 C ATOM 929 CD GLU A 98 -1.809 -9.762 -9.792 1.00 0.00 C ATOM 930 OE1 GLU A 98 -2.394 -10.862 -9.715 1.00 0.00 O ATOM 931 OE2 GLU A 98 -2.292 -8.697 -9.350 1.00 0.00 O ATOM 0 H GLU A 98 1.376 -9.410 -7.642 1.00 0.00 H new ATOM 0 HA GLU A 98 2.054 -10.107 -10.213 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.083 -8.412 -8.842 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.478 -7.785 -10.430 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.569 -9.483 -11.513 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.017 -10.700 -10.396 1.00 0.00 H new ATOM 938 N THR A 99 3.073 -7.042 -9.509 1.00 0.00 N ATOM 939 CA THR A 99 3.971 -5.982 -9.962 1.00 0.00 C ATOM 940 C THR A 99 5.243 -5.928 -9.121 1.00 0.00 C ATOM 941 O THR A 99 5.953 -4.926 -9.130 1.00 0.00 O ATOM 942 CB THR A 99 3.262 -4.629 -9.902 1.00 0.00 C ATOM 943 OG1 THR A 99 2.782 -4.375 -8.594 1.00 0.00 O ATOM 944 CG2 THR A 99 2.088 -4.524 -10.851 1.00 0.00 C ATOM 0 H THR A 99 2.616 -6.857 -8.616 1.00 0.00 H new ATOM 0 HA THR A 99 4.251 -6.205 -10.992 1.00 0.00 H new ATOM 0 HB THR A 99 4.012 -3.896 -10.198 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.677 -3.409 -8.466 1.00 0.00 H new ATOM 0 HG21 THR A 99 1.631 -3.539 -10.757 1.00 0.00 H new ATOM 0 HG22 THR A 99 2.434 -4.667 -11.875 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.352 -5.290 -10.606 1.00 0.00 H new ATOM 952 N LYS A 100 5.524 -7.007 -8.394 1.00 0.00 N ATOM 953 CA LYS A 100 6.712 -7.076 -7.546 1.00 0.00 C ATOM 954 C LYS A 100 6.825 -5.855 -6.626 1.00 0.00 C ATOM 955 O LYS A 100 7.913 -5.527 -6.152 1.00 0.00 O ATOM 956 CB LYS A 100 7.980 -7.224 -8.399 1.00 0.00 C ATOM 957 CG LYS A 100 8.408 -5.952 -9.117 1.00 0.00 C ATOM 958 CD LYS A 100 9.917 -5.895 -9.295 1.00 0.00 C ATOM 959 CE LYS A 100 10.352 -6.562 -10.589 1.00 0.00 C ATOM 960 NZ LYS A 100 11.728 -6.158 -10.987 1.00 0.00 N ATOM 0 H LYS A 100 4.945 -7.846 -8.375 1.00 0.00 H new ATOM 0 HA LYS A 100 6.610 -7.958 -6.914 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.797 -7.557 -7.759 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.815 -8.007 -9.140 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.923 -5.902 -10.092 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.074 -5.083 -8.550 1.00 0.00 H new ATOM 0 HD2 LYS A 100 10.245 -4.856 -9.292 1.00 0.00 H new ATOM 0 HD3 LYS A 100 10.402 -6.385 -8.451 1.00 0.00 H new ATOM 0 HE2 LYS A 100 10.312 -7.645 -10.471 1.00 0.00 H new ATOM 0 HE3 LYS A 100 9.653 -6.302 -11.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 11.987 -6.635 -11.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 11.761 -5.128 -11.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 12.399 -6.429 -10.240 1.00 0.00 H new ATOM 974 N HIS A 101 5.696 -5.203 -6.359 1.00 0.00 N ATOM 975 CA HIS A 101 5.677 -4.042 -5.476 1.00 0.00 C ATOM 976 C HIS A 101 5.598 -4.503 -4.025 1.00 0.00 C ATOM 977 O HIS A 101 4.516 -4.790 -3.515 1.00 0.00 O ATOM 978 CB HIS A 101 4.481 -3.140 -5.799 1.00 0.00 C ATOM 979 CG HIS A 101 4.528 -2.538 -7.172 1.00 0.00 C ATOM 980 ND1 HIS A 101 3.439 -1.895 -7.710 1.00 0.00 N ATOM 981 CD2 HIS A 101 5.545 -2.506 -8.064 1.00 0.00 C ATOM 982 CE1 HIS A 101 3.816 -1.487 -8.908 1.00 0.00 C ATOM 983 NE2 HIS A 101 5.085 -1.836 -9.168 1.00 0.00 N ATOM 0 H HIS A 101 4.785 -5.459 -6.741 1.00 0.00 H new ATOM 0 HA HIS A 101 6.593 -3.472 -5.628 1.00 0.00 H new ATOM 0 HB2 HIS A 101 3.563 -3.720 -5.698 1.00 0.00 H new ATOM 0 HB3 HIS A 101 4.434 -2.338 -5.062 1.00 0.00 H new ATOM 0 HD1 HIS A 101 2.527 -1.761 -7.274 1.00 0.00 H new ATOM 0 HD2 HIS A 101 6.530 -2.928 -7.932 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.183 -0.941 -9.592 1.00 0.00 H new ATOM 991 N TYR A 102 6.750 -4.588 -3.368 1.00 0.00 N ATOM 992 CA TYR A 102 6.807 -5.036 -1.980 1.00 0.00 C ATOM 993 C TYR A 102 6.640 -3.878 -0.998 1.00 0.00 C ATOM 994 O TYR A 102 6.919 -4.026 0.192 1.00 0.00 O ATOM 995 CB TYR A 102 8.135 -5.745 -1.712 1.00 0.00 C ATOM 996 CG TYR A 102 8.549 -6.701 -2.807 1.00 0.00 C ATOM 997 CD1 TYR A 102 9.694 -6.470 -3.558 1.00 0.00 C ATOM 998 CD2 TYR A 102 7.796 -7.834 -3.087 1.00 0.00 C ATOM 999 CE1 TYR A 102 10.078 -7.343 -4.559 1.00 0.00 C ATOM 1000 CE2 TYR A 102 8.174 -8.710 -4.085 1.00 0.00 C ATOM 1001 CZ TYR A 102 9.314 -8.461 -4.818 1.00 0.00 C ATOM 1002 OH TYR A 102 9.692 -9.332 -5.814 1.00 0.00 O ATOM 0 H TYR A 102 7.656 -4.353 -3.773 1.00 0.00 H new ATOM 0 HA TYR A 102 5.979 -5.728 -1.827 1.00 0.00 H new ATOM 0 HB2 TYR A 102 8.916 -4.996 -1.582 1.00 0.00 H new ATOM 0 HB3 TYR A 102 8.060 -6.293 -0.773 1.00 0.00 H new ATOM 0 HD1 TYR A 102 10.294 -5.595 -3.357 1.00 0.00 H new ATOM 0 HD2 TYR A 102 6.901 -8.033 -2.516 1.00 0.00 H new ATOM 0 HE1 TYR A 102 10.971 -7.150 -5.135 1.00 0.00 H new ATOM 0 HE2 TYR A 102 7.578 -9.587 -4.290 1.00 0.00 H new ATOM 0 HH TYR A 102 9.047 -10.068 -5.867 1.00 0.00 H new ATOM 1012 N LEU A 103 6.190 -2.730 -1.492 1.00 0.00 N ATOM 1013 CA LEU A 103 5.997 -1.565 -0.637 1.00 0.00 C ATOM 1014 C LEU A 103 4.526 -1.166 -0.589 1.00 0.00 C ATOM 1015 O LEU A 103 3.938 -0.803 -1.607 1.00 0.00 O ATOM 1016 CB LEU A 103 6.841 -0.393 -1.138 1.00 0.00 C ATOM 1017 CG LEU A 103 8.355 -0.588 -1.031 1.00 0.00 C ATOM 1018 CD1 LEU A 103 8.764 -0.786 0.421 1.00 0.00 C ATOM 1019 CD2 LEU A 103 8.804 -1.768 -1.878 1.00 0.00 C ATOM 0 H LEU A 103 5.953 -2.581 -2.473 1.00 0.00 H new ATOM 0 HA LEU A 103 6.317 -1.827 0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.588 -0.204 -2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.565 0.499 -0.576 1.00 0.00 H new ATOM 0 HG LEU A 103 8.845 0.310 -1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.844 -0.923 0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.478 0.090 1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.264 -1.667 0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.883 -1.890 -1.789 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.306 -2.674 -1.533 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.545 -1.587 -2.921 1.00 0.00 H new ATOM 1031 N THR A 104 3.938 -1.239 0.601 1.00 0.00 N ATOM 1032 CA THR A 104 2.533 -0.886 0.778 1.00 0.00 C ATOM 1033 C THR A 104 2.335 -0.048 2.036 1.00 0.00 C ATOM 1034 O THR A 104 2.937 -0.318 3.074 1.00 0.00 O ATOM 1035 CB THR A 104 1.674 -2.149 0.851 1.00 0.00 C ATOM 1036 OG1 THR A 104 0.323 -1.822 1.118 1.00 0.00 O ATOM 1037 CG2 THR A 104 2.131 -3.123 1.916 1.00 0.00 C ATOM 0 H THR A 104 4.410 -1.538 1.454 1.00 0.00 H new ATOM 0 HA THR A 104 2.223 -0.293 -0.082 1.00 0.00 H new ATOM 0 HB THR A 104 1.779 -2.626 -0.123 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.154 -1.685 0.273 1.00 0.00 H new ATOM 0 HG21 THR A 104 1.479 -3.996 1.914 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.155 -3.434 1.709 1.00 0.00 H new ATOM 0 HG23 THR A 104 2.089 -2.641 2.893 1.00 0.00 H new ATOM 1045 N VAL A 105 1.488 0.971 1.936 1.00 0.00 N ATOM 1046 CA VAL A 105 1.213 1.848 3.068 1.00 0.00 C ATOM 1047 C VAL A 105 -0.270 1.841 3.429 1.00 0.00 C ATOM 1048 O VAL A 105 -1.126 2.104 2.584 1.00 0.00 O ATOM 1049 CB VAL A 105 1.656 3.297 2.776 1.00 0.00 C ATOM 1050 CG1 VAL A 105 0.879 3.870 1.598 1.00 0.00 C ATOM 1051 CG2 VAL A 105 1.486 4.170 4.011 1.00 0.00 C ATOM 0 H VAL A 105 0.981 1.210 1.084 1.00 0.00 H new ATOM 0 HA VAL A 105 1.787 1.463 3.911 1.00 0.00 H new ATOM 0 HB VAL A 105 2.713 3.284 2.512 1.00 0.00 H new ATOM 0 HG11 VAL A 105 1.207 4.892 1.409 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.060 3.261 0.712 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.186 3.867 1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.804 5.188 3.784 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.438 4.176 4.311 1.00 0.00 H new ATOM 0 HG23 VAL A 105 2.094 3.773 4.824 1.00 0.00 H new ATOM 1061 N ASN A 106 -0.563 1.544 4.691 1.00 0.00 N ATOM 1062 CA ASN A 106 -1.941 1.508 5.166 1.00 0.00 C ATOM 1063 C ASN A 106 -2.438 2.915 5.482 1.00 0.00 C ATOM 1064 O ASN A 106 -1.852 3.618 6.301 1.00 0.00 O ATOM 1065 CB ASN A 106 -2.059 0.620 6.408 1.00 0.00 C ATOM 1066 CG ASN A 106 -0.962 0.883 7.421 1.00 0.00 C ATOM 1067 OD1 ASN A 106 -1.089 1.756 8.280 1.00 0.00 O ATOM 1068 ND2 ASN A 106 0.126 0.128 7.322 1.00 0.00 N ATOM 0 H ASN A 106 0.135 1.325 5.402 1.00 0.00 H new ATOM 0 HA ASN A 106 -2.561 1.088 4.374 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -3.029 0.786 6.877 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -2.026 -0.427 6.106 1.00 0.00 H new ATOM 0 HD21 ASN A 106 0.899 0.260 7.974 1.00 0.00 H new ATOM 0 HD22 ASN A 106 0.188 -0.584 6.594 1.00 0.00 H new ATOM 1075 N LEU A 107 -3.517 3.320 4.822 1.00 0.00 N ATOM 1076 CA LEU A 107 -4.088 4.647 5.030 1.00 0.00 C ATOM 1077 C LEU A 107 -4.789 4.754 6.386 1.00 0.00 C ATOM 1078 O LEU A 107 -5.155 5.847 6.816 1.00 0.00 O ATOM 1079 CB LEU A 107 -5.072 4.979 3.908 1.00 0.00 C ATOM 1080 CG LEU A 107 -4.605 4.588 2.502 1.00 0.00 C ATOM 1081 CD1 LEU A 107 -5.646 3.719 1.813 1.00 0.00 C ATOM 1082 CD2 LEU A 107 -4.309 5.828 1.671 1.00 0.00 C ATOM 0 H LEU A 107 -4.014 2.749 4.138 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.268 5.365 5.019 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -6.017 4.477 4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.270 6.051 3.924 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.685 4.011 2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -5.295 3.452 0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.806 2.812 2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.584 4.269 1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.979 5.529 0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.211 6.434 1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.524 6.411 2.154 1.00 0.00 H new ATOM 1094 N THR A 108 -4.987 3.617 7.048 1.00 0.00 N ATOM 1095 CA THR A 108 -5.658 3.599 8.344 1.00 0.00 C ATOM 1096 C THR A 108 -4.700 3.944 9.481 1.00 0.00 C ATOM 1097 O THR A 108 -5.063 4.658 10.414 1.00 0.00 O ATOM 1098 CB THR A 108 -6.290 2.228 8.592 1.00 0.00 C ATOM 1099 OG1 THR A 108 -6.588 1.586 7.364 1.00 0.00 O ATOM 1100 CG2 THR A 108 -7.569 2.295 9.397 1.00 0.00 C ATOM 0 H THR A 108 -4.694 2.700 6.710 1.00 0.00 H new ATOM 0 HA THR A 108 -6.438 4.360 8.322 1.00 0.00 H new ATOM 0 HB THR A 108 -5.550 1.667 9.163 1.00 0.00 H new ATOM 0 HG1 THR A 108 -6.839 0.654 7.535 1.00 0.00 H new ATOM 0 HG21 THR A 108 -7.964 1.289 9.536 1.00 0.00 H new ATOM 0 HG22 THR A 108 -7.364 2.742 10.370 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.302 2.902 8.866 1.00 0.00 H new ATOM 1108 N THR A 109 -3.479 3.428 9.402 1.00 0.00 N ATOM 1109 CA THR A 109 -2.475 3.679 10.435 1.00 0.00 C ATOM 1110 C THR A 109 -1.337 4.558 9.916 1.00 0.00 C ATOM 1111 O THR A 109 -0.467 4.972 10.681 1.00 0.00 O ATOM 1112 CB THR A 109 -1.910 2.358 10.957 1.00 0.00 C ATOM 1113 OG1 THR A 109 -2.778 1.282 10.648 1.00 0.00 O ATOM 1114 CG2 THR A 109 -1.689 2.353 12.454 1.00 0.00 C ATOM 0 H THR A 109 -3.159 2.835 8.637 1.00 0.00 H new ATOM 0 HA THR A 109 -2.968 4.211 11.248 1.00 0.00 H new ATOM 0 HB THR A 109 -0.946 2.241 10.462 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.602 0.971 9.735 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.287 1.387 12.759 1.00 0.00 H new ATOM 0 HG22 THR A 109 -0.984 3.140 12.720 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.637 2.528 12.962 1.00 0.00 H new ATOM 1122 N LEU A 110 -1.344 4.839 8.616 1.00 0.00 N ATOM 1123 CA LEU A 110 -0.306 5.665 8.010 1.00 0.00 C ATOM 1124 C LEU A 110 1.068 5.027 8.187 1.00 0.00 C ATOM 1125 O LEU A 110 2.069 5.722 8.362 1.00 0.00 O ATOM 1126 CB LEU A 110 -0.315 7.066 8.627 1.00 0.00 C ATOM 1127 CG LEU A 110 -1.312 8.042 8.000 1.00 0.00 C ATOM 1128 CD1 LEU A 110 -1.212 9.406 8.666 1.00 0.00 C ATOM 1129 CD2 LEU A 110 -1.076 8.158 6.502 1.00 0.00 C ATOM 0 H LEU A 110 -2.055 4.508 7.964 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.515 5.744 6.943 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -0.537 6.977 9.690 1.00 0.00 H new ATOM 0 HB3 LEU A 110 0.686 7.489 8.544 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.319 7.656 8.158 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.928 10.088 8.208 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.432 9.309 9.729 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.204 9.800 8.539 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -1.795 8.857 6.073 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -0.064 8.521 6.320 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -1.200 7.180 6.037 1.00 0.00 H new ATOM 1141 N ARG A 111 1.109 3.699 8.138 1.00 0.00 N ATOM 1142 CA ARG A 111 2.360 2.964 8.292 1.00 0.00 C ATOM 1143 C ARG A 111 2.730 2.241 7.000 1.00 0.00 C ATOM 1144 O ARG A 111 1.857 1.843 6.228 1.00 0.00 O ATOM 1145 CB ARG A 111 2.245 1.956 9.438 1.00 0.00 C ATOM 1146 CG ARG A 111 2.490 2.563 10.810 1.00 0.00 C ATOM 1147 CD ARG A 111 2.411 1.512 11.906 1.00 0.00 C ATOM 1148 NE ARG A 111 2.570 2.094 13.237 1.00 0.00 N ATOM 1149 CZ ARG A 111 3.746 2.429 13.764 1.00 0.00 C ATOM 1150 NH1 ARG A 111 4.866 2.240 13.079 1.00 0.00 N ATOM 1151 NH2 ARG A 111 3.801 2.953 14.981 1.00 0.00 N ATOM 0 H ARG A 111 0.289 3.109 7.993 1.00 0.00 H new ATOM 0 HA ARG A 111 3.147 3.681 8.524 1.00 0.00 H new ATOM 0 HB2 ARG A 111 1.251 1.510 9.420 1.00 0.00 H new ATOM 0 HB3 ARG A 111 2.959 1.149 9.274 1.00 0.00 H new ATOM 0 HG2 ARG A 111 3.471 3.037 10.829 1.00 0.00 H new ATOM 0 HG3 ARG A 111 1.754 3.345 11.000 1.00 0.00 H new ATOM 0 HD2 ARG A 111 1.451 0.999 11.847 1.00 0.00 H new ATOM 0 HD3 ARG A 111 3.184 0.761 11.744 1.00 0.00 H new ATOM 0 HE ARG A 111 1.731 2.253 13.795 1.00 0.00 H new ATOM 0 HH11 ARG A 111 4.829 1.836 12.143 1.00 0.00 H new ATOM 0 HH12 ARG A 111 5.764 2.499 13.488 1.00 0.00 H new ATOM 0 HH21 ARG A 111 2.943 3.099 15.513 1.00 0.00 H new ATOM 0 HH22 ARG A 111 4.701 3.210 15.385 1.00 0.00 H new ATOM 1165 N VAL A 112 4.030 2.077 6.769 1.00 0.00 N ATOM 1166 CA VAL A 112 4.515 1.403 5.569 1.00 0.00 C ATOM 1167 C VAL A 112 4.954 -0.025 5.877 1.00 0.00 C ATOM 1168 O VAL A 112 5.398 -0.323 6.987 1.00 0.00 O ATOM 1169 CB VAL A 112 5.694 2.165 4.934 1.00 0.00 C ATOM 1170 CG1 VAL A 112 6.082 1.539 3.604 1.00 0.00 C ATOM 1171 CG2 VAL A 112 5.347 3.637 4.757 1.00 0.00 C ATOM 0 H VAL A 112 4.766 2.401 7.397 1.00 0.00 H new ATOM 0 HA VAL A 112 3.684 1.380 4.864 1.00 0.00 H new ATOM 0 HB VAL A 112 6.550 2.095 5.605 1.00 0.00 H new ATOM 0 HG11 VAL A 112 6.916 2.091 3.171 1.00 0.00 H new ATOM 0 HG12 VAL A 112 6.377 0.502 3.762 1.00 0.00 H new ATOM 0 HG13 VAL A 112 5.231 1.575 2.923 1.00 0.00 H new ATOM 0 HG21 VAL A 112 6.192 4.158 4.307 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.476 3.730 4.108 1.00 0.00 H new ATOM 0 HG23 VAL A 112 5.124 4.078 5.729 1.00 0.00 H new ATOM 1181 N TRP A 113 4.827 -0.905 4.888 1.00 0.00 N ATOM 1182 CA TRP A 113 5.209 -2.302 5.052 1.00 0.00 C ATOM 1183 C TRP A 113 6.087 -2.772 3.895 1.00 0.00 C ATOM 1184 O TRP A 113 5.861 -2.408 2.739 1.00 0.00 O ATOM 1185 CB TRP A 113 3.962 -3.186 5.153 1.00 0.00 C ATOM 1186 CG TRP A 113 4.279 -4.642 5.314 1.00 0.00 C ATOM 1187 CD1 TRP A 113 4.210 -5.608 4.352 1.00 0.00 C ATOM 1188 CD2 TRP A 113 4.714 -5.299 6.511 1.00 0.00 C ATOM 1189 NE1 TRP A 113 4.577 -6.824 4.875 1.00 0.00 N ATOM 1190 CE2 TRP A 113 4.891 -6.660 6.199 1.00 0.00 C ATOM 1191 CE3 TRP A 113 4.973 -4.867 7.816 1.00 0.00 C ATOM 1192 CZ2 TRP A 113 5.313 -7.592 7.144 1.00 0.00 C ATOM 1193 CZ3 TRP A 113 5.392 -5.793 8.752 1.00 0.00 C ATOM 1194 CH2 TRP A 113 5.560 -7.141 8.413 1.00 0.00 C ATOM 0 H TRP A 113 4.462 -0.674 3.964 1.00 0.00 H new ATOM 0 HA TRP A 113 5.783 -2.386 5.974 1.00 0.00 H new ATOM 0 HB2 TRP A 113 3.359 -2.857 5.999 1.00 0.00 H new ATOM 0 HB3 TRP A 113 3.355 -3.050 4.258 1.00 0.00 H new ATOM 0 HD1 TRP A 113 3.910 -5.440 3.328 1.00 0.00 H new ATOM 0 HE1 TRP A 113 4.610 -7.705 4.362 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.848 -3.829 8.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 5.441 -8.633 6.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 5.593 -5.471 9.763 1.00 0.00 H new ATOM 0 HH2 TRP A 113 5.891 -7.839 9.168 1.00 0.00 H new ATOM 1205 N CYS A 114 7.088 -3.586 4.221 1.00 0.00 N ATOM 1206 CA CYS A 114 8.011 -4.120 3.223 1.00 0.00 C ATOM 1207 C CYS A 114 7.927 -5.645 3.171 1.00 0.00 C ATOM 1208 O CYS A 114 8.366 -6.332 4.096 1.00 0.00 O ATOM 1209 CB CYS A 114 9.441 -3.687 3.548 1.00 0.00 C ATOM 1210 SG CYS A 114 10.609 -3.927 2.191 1.00 0.00 S ATOM 0 H CYS A 114 7.281 -3.892 5.175 1.00 0.00 H new ATOM 0 HA CYS A 114 7.730 -3.725 2.247 1.00 0.00 H new ATOM 0 HB2 CYS A 114 9.436 -2.633 3.827 1.00 0.00 H new ATOM 0 HB3 CYS A 114 9.790 -4.245 4.417 1.00 0.00 H new ATOM 0 HG CYS A 114 11.552 -3.036 2.268 1.00 0.00 H new ATOM 1215 N TYR A 115 7.356 -6.167 2.088 1.00 0.00 N ATOM 1216 CA TYR A 115 7.208 -7.611 1.917 1.00 0.00 C ATOM 1217 C TYR A 115 8.559 -8.289 1.697 1.00 0.00 C ATOM 1218 O TYR A 115 8.806 -9.378 2.215 1.00 0.00 O ATOM 1219 CB TYR A 115 6.280 -7.917 0.739 1.00 0.00 C ATOM 1220 CG TYR A 115 4.818 -7.660 1.028 1.00 0.00 C ATOM 1221 CD1 TYR A 115 4.111 -8.472 1.907 1.00 0.00 C ATOM 1222 CD2 TYR A 115 4.144 -6.608 0.420 1.00 0.00 C ATOM 1223 CE1 TYR A 115 2.775 -8.243 2.171 1.00 0.00 C ATOM 1224 CE2 TYR A 115 2.809 -6.372 0.680 1.00 0.00 C ATOM 1225 CZ TYR A 115 2.129 -7.192 1.555 1.00 0.00 C ATOM 1226 OH TYR A 115 0.797 -6.960 1.816 1.00 0.00 O ATOM 0 H TYR A 115 6.988 -5.612 1.315 1.00 0.00 H new ATOM 0 HA TYR A 115 6.771 -8.007 2.834 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.583 -7.313 -0.116 1.00 0.00 H new ATOM 0 HB3 TYR A 115 6.405 -8.961 0.452 1.00 0.00 H new ATOM 0 HD1 TYR A 115 4.615 -9.295 2.391 1.00 0.00 H new ATOM 0 HD2 TYR A 115 4.673 -5.964 -0.267 1.00 0.00 H new ATOM 0 HE1 TYR A 115 2.239 -8.883 2.856 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.300 -5.549 0.200 1.00 0.00 H new ATOM 0 HH TYR A 115 0.285 -7.780 1.655 1.00 0.00 H new ATOM 1236 N ALA A 116 9.427 -7.645 0.924 1.00 0.00 N ATOM 1237 CA ALA A 116 10.746 -8.194 0.635 1.00 0.00 C ATOM 1238 C ALA A 116 11.553 -8.375 1.913 1.00 0.00 C ATOM 1239 O ALA A 116 12.068 -9.459 2.188 1.00 0.00 O ATOM 1240 CB ALA A 116 11.489 -7.295 -0.341 1.00 0.00 C ATOM 0 H ALA A 116 9.241 -6.743 0.487 1.00 0.00 H new ATOM 0 HA ALA A 116 10.615 -9.175 0.178 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.472 -7.717 -0.548 1.00 0.00 H new ATOM 0 HB2 ALA A 116 10.923 -7.220 -1.270 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.604 -6.302 0.094 1.00 0.00 H new ATOM 1246 N CYS A 117 11.653 -7.306 2.694 1.00 0.00 N ATOM 1247 CA CYS A 117 12.386 -7.345 3.950 1.00 0.00 C ATOM 1248 C CYS A 117 11.653 -8.212 4.968 1.00 0.00 C ATOM 1249 O CYS A 117 12.270 -8.827 5.836 1.00 0.00 O ATOM 1250 CB CYS A 117 12.573 -5.932 4.503 1.00 0.00 C ATOM 1251 SG CYS A 117 14.033 -5.078 3.865 1.00 0.00 S ATOM 0 H CYS A 117 11.235 -6.401 2.478 1.00 0.00 H new ATOM 0 HA CYS A 117 13.367 -7.780 3.761 1.00 0.00 H new ATOM 0 HB2 CYS A 117 11.688 -5.341 4.268 1.00 0.00 H new ATOM 0 HB3 CYS A 117 12.642 -5.985 5.590 1.00 0.00 H new ATOM 0 HG CYS A 117 13.678 -3.940 3.347 1.00 0.00 H new ATOM 1256 N SER A 118 10.326 -8.250 4.849 1.00 0.00 N ATOM 1257 CA SER A 118 9.487 -9.036 5.752 1.00 0.00 C ATOM 1258 C SER A 118 9.315 -8.321 7.086 1.00 0.00 C ATOM 1259 O SER A 118 9.520 -8.907 8.150 1.00 0.00 O ATOM 1260 CB SER A 118 10.082 -10.431 5.971 1.00 0.00 C ATOM 1261 OG SER A 118 10.647 -10.940 4.776 1.00 0.00 O ATOM 0 H SER A 118 9.807 -7.743 4.132 1.00 0.00 H new ATOM 0 HA SER A 118 8.507 -9.148 5.289 1.00 0.00 H new ATOM 0 HB2 SER A 118 10.846 -10.386 6.747 1.00 0.00 H new ATOM 0 HB3 SER A 118 9.306 -11.109 6.327 1.00 0.00 H new ATOM 0 HG SER A 118 11.021 -11.830 4.944 1.00 0.00 H new ATOM 1267 N LYS A 119 8.935 -7.050 7.022 1.00 0.00 N ATOM 1268 CA LYS A 119 8.733 -6.252 8.226 1.00 0.00 C ATOM 1269 C LYS A 119 8.219 -4.858 7.877 1.00 0.00 C ATOM 1270 O LYS A 119 8.119 -4.499 6.704 1.00 0.00 O ATOM 1271 CB LYS A 119 10.038 -6.144 9.017 1.00 0.00 C ATOM 1272 CG LYS A 119 11.229 -5.722 8.170 1.00 0.00 C ATOM 1273 CD LYS A 119 11.525 -4.240 8.323 1.00 0.00 C ATOM 1274 CE LYS A 119 12.427 -3.971 9.517 1.00 0.00 C ATOM 1275 NZ LYS A 119 11.658 -3.491 10.698 1.00 0.00 N ATOM 0 H LYS A 119 8.761 -6.550 6.150 1.00 0.00 H new ATOM 0 HA LYS A 119 7.984 -6.752 8.840 1.00 0.00 H new ATOM 0 HB2 LYS A 119 9.905 -5.425 9.826 1.00 0.00 H new ATOM 0 HB3 LYS A 119 10.254 -7.107 9.479 1.00 0.00 H new ATOM 0 HG2 LYS A 119 12.106 -6.301 8.460 1.00 0.00 H new ATOM 0 HG3 LYS A 119 11.030 -5.948 7.122 1.00 0.00 H new ATOM 0 HD2 LYS A 119 12.000 -3.868 7.416 1.00 0.00 H new ATOM 0 HD3 LYS A 119 10.590 -3.692 8.441 1.00 0.00 H new ATOM 0 HE2 LYS A 119 12.963 -4.883 9.779 1.00 0.00 H new ATOM 0 HE3 LYS A 119 13.176 -3.228 9.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 12.294 -2.977 11.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 10.897 -2.856 10.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 11.245 -4.304 11.197 1.00 0.00 H new ATOM 1289 N GLU A 120 7.897 -4.078 8.903 1.00 0.00 N ATOM 1290 CA GLU A 120 7.395 -2.724 8.704 1.00 0.00 C ATOM 1291 C GLU A 120 8.546 -1.730 8.589 1.00 0.00 C ATOM 1292 O GLU A 120 9.563 -1.860 9.271 1.00 0.00 O ATOM 1293 CB GLU A 120 6.475 -2.323 9.859 1.00 0.00 C ATOM 1294 CG GLU A 120 7.167 -2.306 11.212 1.00 0.00 C ATOM 1295 CD GLU A 120 6.273 -2.803 12.331 1.00 0.00 C ATOM 1296 OE1 GLU A 120 5.877 -1.982 13.183 1.00 0.00 O ATOM 1297 OE2 GLU A 120 5.970 -4.015 12.353 1.00 0.00 O ATOM 0 H GLU A 120 7.975 -4.360 9.880 1.00 0.00 H new ATOM 0 HA GLU A 120 6.827 -2.707 7.774 1.00 0.00 H new ATOM 0 HB2 GLU A 120 6.064 -1.334 9.658 1.00 0.00 H new ATOM 0 HB3 GLU A 120 5.634 -3.015 9.899 1.00 0.00 H new ATOM 0 HG2 GLU A 120 8.063 -2.925 11.165 1.00 0.00 H new ATOM 0 HG3 GLU A 120 7.493 -1.290 11.436 1.00 0.00 H new ATOM 1304 N VAL A 121 8.380 -0.739 7.720 1.00 0.00 N ATOM 1305 CA VAL A 121 9.406 0.277 7.514 1.00 0.00 C ATOM 1306 C VAL A 121 8.826 1.680 7.650 1.00 0.00 C ATOM 1307 O VAL A 121 7.627 1.850 7.867 1.00 0.00 O ATOM 1308 CB VAL A 121 10.062 0.138 6.128 1.00 0.00 C ATOM 1309 CG1 VAL A 121 10.978 -1.076 6.089 1.00 0.00 C ATOM 1310 CG2 VAL A 121 9.002 0.051 5.042 1.00 0.00 C ATOM 0 H VAL A 121 7.545 -0.617 7.147 1.00 0.00 H new ATOM 0 HA VAL A 121 10.162 0.123 8.284 1.00 0.00 H new ATOM 0 HB VAL A 121 10.667 1.026 5.942 1.00 0.00 H new ATOM 0 HG11 VAL A 121 11.432 -1.157 5.102 1.00 0.00 H new ATOM 0 HG12 VAL A 121 11.760 -0.966 6.840 1.00 0.00 H new ATOM 0 HG13 VAL A 121 10.399 -1.976 6.297 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.485 -0.047 4.070 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.368 -0.817 5.221 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.392 0.955 5.055 1.00 0.00 H new ATOM 1320 N PHE A 122 9.686 2.686 7.519 1.00 0.00 N ATOM 1321 CA PHE A 122 9.260 4.076 7.626 1.00 0.00 C ATOM 1322 C PHE A 122 9.612 4.851 6.359 1.00 0.00 C ATOM 1323 O PHE A 122 10.481 4.440 5.590 1.00 0.00 O ATOM 1324 CB PHE A 122 9.912 4.739 8.841 1.00 0.00 C ATOM 1325 CG PHE A 122 11.413 4.680 8.824 1.00 0.00 C ATOM 1326 CD1 PHE A 122 12.076 3.499 9.117 1.00 0.00 C ATOM 1327 CD2 PHE A 122 12.161 5.805 8.515 1.00 0.00 C ATOM 1328 CE1 PHE A 122 13.457 3.441 9.102 1.00 0.00 C ATOM 1329 CE2 PHE A 122 13.541 5.753 8.499 1.00 0.00 C ATOM 1330 CZ PHE A 122 14.190 4.570 8.792 1.00 0.00 C ATOM 0 H PHE A 122 10.682 2.563 7.338 1.00 0.00 H new ATOM 0 HA PHE A 122 8.177 4.090 7.751 1.00 0.00 H new ATOM 0 HB2 PHE A 122 9.598 5.782 8.888 1.00 0.00 H new ATOM 0 HB3 PHE A 122 9.548 4.256 9.748 1.00 0.00 H new ATOM 0 HD1 PHE A 122 11.507 2.614 9.360 1.00 0.00 H new ATOM 0 HD2 PHE A 122 11.659 6.733 8.284 1.00 0.00 H new ATOM 0 HE1 PHE A 122 13.962 2.515 9.332 1.00 0.00 H new ATOM 0 HE2 PHE A 122 14.112 6.637 8.257 1.00 0.00 H new ATOM 0 HZ PHE A 122 15.269 4.527 8.779 1.00 0.00 H new