USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 744 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 30 CYS SG : rot 177:sc= -0.87 USER MOD Set 1.2: A 48 GLN : amide:sc= 0.875 K(o=0.0049,f=-0.74) USER MOD Set 2.1: A 8 TYR OH : rot 180:sc= -0.898 USER MOD Set 2.2: A 50 SER OG : rot 135:sc= -1.13! USER MOD Single : A 1 MET CE :methyl 166:sc= 0 (180deg=-0.136) USER MOD Single : A 1 MET N :NH3+ -177:sc= -0.749 (180deg=-0.776) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 150:sc= -1.65 USER MOD Single : A 14 MET CE :methyl 169:sc= -4.5! (180deg=-5.5!) USER MOD Single : A 18 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.094) USER MOD Single : A 19 SER OG : rot -3:sc= -3.52! USER MOD Single : A 21 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.11) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 41:sc= 0.431 USER MOD Single : A 27 SER OG : rot 162:sc= 0.0138 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 100:sc= -0.73 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc=-0.00233 X(o=-0.0023,f=0) USER MOD Single : A 53 HIS : no HE2:sc= -3.11 K(o=-3.1,f=-5.6!) USER MOD Single : A 54 ASN :FLIP amide:sc= -0.339 F(o=-1.6,f=-0.34) USER MOD Single : A 56 SER OG : rot 180:sc=-0.000232 USER MOD Single : A 58 ASN :FLIP amide:sc= -0.584 F(o=-1.6,f=-0.58) USER MOD Single : A 60 CYS SG : rot 16:sc= 0.718 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.909 K(o=-0.91,f=-5.4!) USER MOD Single : A 73 LYS NZ :NH3+ 166:sc=-5.01e-05 (180deg=-0.177) USER MOD Single : A 75 ASN : amide:sc= -1.81 K(o=-1.8,f=-3.3) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 124:sc= -4! USER MOD Single : A 82 GLN : amide:sc= -0.0278 X(o=-0.028,f=0) USER MOD Single : A 83 SER OG : rot 107:sc= 0.0636 USER MOD Single : A 86 MET CE :methyl -161:sc= -1.04 (180deg=-1.45) USER MOD Single : A 89 ASN : amide:sc= -5.05! C(o=-5.1!,f=-7.3!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.345 0.000 0.000 1.00 1.00 N ATOM 2 CA MET A 1 2.115 0.000 -1.232 1.00 1.00 C ATOM 3 C MET A 1 3.442 0.725 -0.999 1.00 1.00 C ATOM 4 O MET A 1 4.411 0.424 -1.712 1.00 1.00 O ATOM 5 CB MET A 1 1.337 0.704 -2.346 1.00 1.00 C ATOM 6 CG MET A 1 0.922 2.113 -1.919 1.00 1.00 C ATOM 7 SD MET A 1 -0.871 2.172 -1.631 1.00 1.00 S ATOM 8 CE MET A 1 -1.374 3.263 -2.994 1.00 1.00 C ATOM 0 H1 MET A 1 0.465 -0.536 -0.141 1.00 1.00 H new ATOM 0 H2 MET A 1 1.903 -0.443 0.758 1.00 1.00 H new ATOM 0 H3 MET A 1 1.115 0.979 0.266 1.00 1.00 H new ATOM 0 HA MET A 1 2.304 -1.031 -1.533 1.00 1.00 H new ATOM 0 HB2 MET A 1 1.951 0.759 -3.245 1.00 1.00 H new ATOM 0 HB3 MET A 1 0.451 0.122 -2.600 1.00 1.00 H new ATOM 0 HG2 MET A 1 1.454 2.398 -1.011 1.00 1.00 H new ATOM 0 HG3 MET A 1 1.199 2.832 -2.690 1.00 1.00 H new ATOM 0 HE1 MET A 1 -2.455 3.211 -3.122 1.00 1.00 H new ATOM 0 HE2 MET A 1 -1.085 4.289 -2.765 1.00 1.00 H new ATOM 0 HE3 MET A 1 -0.884 2.945 -3.914 1.00 1.00 H new ATOM 18 N VAL A 2 3.460 1.649 -0.023 1.00 1.00 N ATOM 19 CA VAL A 2 4.657 2.407 0.298 1.00 1.00 C ATOM 20 C VAL A 2 4.630 2.793 1.779 1.00 1.00 C ATOM 21 O VAL A 2 5.646 2.588 2.460 1.00 1.00 O ATOM 22 CB VAL A 2 4.777 3.616 -0.632 1.00 1.00 C ATOM 23 CG1 VAL A 2 4.897 3.174 -2.092 1.00 1.00 C ATOM 24 CG2 VAL A 2 3.597 4.571 -0.444 1.00 1.00 C ATOM 0 H VAL A 2 2.651 1.881 0.553 1.00 1.00 H new ATOM 0 HA VAL A 2 5.547 1.800 0.136 1.00 1.00 H new ATOM 0 HB VAL A 2 5.688 4.153 -0.368 1.00 1.00 H new ATOM 0 HG11 VAL A 2 4.981 4.052 -2.732 1.00 1.00 H new ATOM 0 HG12 VAL A 2 5.784 2.551 -2.212 1.00 1.00 H new ATOM 0 HG13 VAL A 2 4.012 2.603 -2.373 1.00 1.00 H new ATOM 0 HG21 VAL A 2 3.707 5.422 -1.117 1.00 1.00 H new ATOM 0 HG22 VAL A 2 2.667 4.049 -0.668 1.00 1.00 H new ATOM 0 HG23 VAL A 2 3.575 4.924 0.587 1.00 1.00 H new ATOM 34 N LYS A 3 3.488 3.333 2.239 1.00 1.00 N ATOM 35 CA LYS A 3 3.333 3.742 3.625 1.00 1.00 C ATOM 36 C LYS A 3 1.886 4.175 3.866 1.00 1.00 C ATOM 37 O LYS A 3 1.134 4.290 2.887 1.00 1.00 O ATOM 38 CB LYS A 3 4.364 4.815 3.985 1.00 1.00 C ATOM 39 CG LYS A 3 5.366 4.288 5.014 1.00 1.00 C ATOM 40 CD LYS A 3 6.271 5.412 5.523 1.00 1.00 C ATOM 41 CE LYS A 3 7.588 5.450 4.745 1.00 1.00 C ATOM 42 NZ LYS A 3 8.114 6.823 4.687 1.00 1.00 N ATOM 0 H LYS A 3 2.663 3.492 1.661 1.00 1.00 H new ATOM 0 HA LYS A 3 3.531 2.904 4.294 1.00 1.00 H new ATOM 0 HB2 LYS A 3 4.893 5.132 3.086 1.00 1.00 H new ATOM 0 HB3 LYS A 3 3.856 5.694 4.383 1.00 1.00 H new ATOM 0 HG2 LYS A 3 4.831 3.839 5.851 1.00 1.00 H new ATOM 0 HG3 LYS A 3 5.974 3.502 4.566 1.00 1.00 H new ATOM 0 HD2 LYS A 3 5.759 6.369 5.425 1.00 1.00 H new ATOM 0 HD3 LYS A 3 6.475 5.267 6.584 1.00 1.00 H new ATOM 0 HE2 LYS A 3 8.317 4.795 5.221 1.00 1.00 H new ATOM 0 HE3 LYS A 3 7.431 5.072 3.735 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 9.008 6.830 4.155 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 7.424 7.439 4.212 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 8.283 7.171 5.652 1.00 1.00 H new ATOM 56 N PRO A 4 1.530 4.402 5.143 1.00 1.00 N ATOM 57 CA PRO A 4 0.196 4.818 5.542 1.00 1.00 C ATOM 58 C PRO A 4 -0.041 6.292 5.208 1.00 1.00 C ATOM 59 O PRO A 4 0.920 6.969 4.813 1.00 1.00 O ATOM 60 CB PRO A 4 0.123 4.528 7.032 1.00 1.00 C ATOM 61 CG PRO A 4 1.562 4.396 7.503 1.00 1.00 C ATOM 62 CD PRO A 4 2.444 4.256 6.272 1.00 1.00 C ATOM 0 HA PRO A 4 -0.589 4.284 5.007 1.00 1.00 H new ATOM 0 HB2 PRO A 4 -0.389 5.332 7.561 1.00 1.00 H new ATOM 0 HB3 PRO A 4 -0.436 3.612 7.225 1.00 1.00 H new ATOM 0 HG2 PRO A 4 1.855 5.270 8.085 1.00 1.00 H new ATOM 0 HG3 PRO A 4 1.673 3.528 8.153 1.00 1.00 H new ATOM 0 HD2 PRO A 4 3.222 5.019 6.253 1.00 1.00 H new ATOM 0 HD3 PRO A 4 2.946 3.289 6.253 1.00 1.00 H new ATOM 70 N PRO A 5 -1.294 6.752 5.370 1.00 1.00 N ATOM 71 CA PRO A 5 -1.687 8.124 5.098 1.00 1.00 C ATOM 72 C PRO A 5 -1.194 9.064 6.200 1.00 1.00 C ATOM 73 O PRO A 5 -0.907 8.579 7.304 1.00 1.00 O ATOM 74 CB PRO A 5 -3.202 8.085 4.984 1.00 1.00 C ATOM 75 CG PRO A 5 -3.637 6.792 5.653 1.00 1.00 C ATOM 76 CD PRO A 5 -2.402 5.924 5.837 1.00 1.00 C ATOM 0 HA PRO A 5 -1.243 8.515 4.183 1.00 1.00 H new ATOM 0 HB2 PRO A 5 -3.653 8.949 5.473 1.00 1.00 H new ATOM 0 HB3 PRO A 5 -3.516 8.110 3.940 1.00 1.00 H new ATOM 0 HG2 PRO A 5 -4.105 6.999 6.615 1.00 1.00 H new ATOM 0 HG3 PRO A 5 -4.378 6.277 5.042 1.00 1.00 H new ATOM 0 HD2 PRO A 5 -2.271 5.639 6.881 1.00 1.00 H new ATOM 0 HD3 PRO A 5 -2.477 5.001 5.261 1.00 1.00 H new ATOM 84 N TYR A 6 -1.106 10.369 5.884 1.00 1.00 N ATOM 85 CA TYR A 6 -0.640 11.313 6.885 1.00 1.00 C ATOM 86 C TYR A 6 -1.537 12.553 6.867 1.00 1.00 C ATOM 87 O TYR A 6 -2.479 12.578 6.062 1.00 1.00 O ATOM 88 CB TYR A 6 0.836 11.670 6.630 1.00 1.00 C ATOM 89 CG TYR A 6 1.832 10.642 7.148 1.00 1.00 C ATOM 90 CD1 TYR A 6 2.175 9.518 6.361 1.00 1.00 C ATOM 91 CD2 TYR A 6 2.416 10.804 8.425 1.00 1.00 C ATOM 92 CE1 TYR A 6 3.097 8.566 6.846 1.00 1.00 C ATOM 93 CE2 TYR A 6 3.338 9.852 8.911 1.00 1.00 C ATOM 94 CZ TYR A 6 3.680 8.733 8.122 1.00 1.00 C ATOM 95 OH TYR A 6 4.573 7.814 8.595 1.00 1.00 O ATOM 0 H TYR A 6 -1.344 10.771 4.977 1.00 1.00 H new ATOM 0 HA TYR A 6 -0.699 10.864 7.877 1.00 1.00 H new ATOM 0 HB2 TYR A 6 0.987 11.795 5.558 1.00 1.00 H new ATOM 0 HB3 TYR A 6 1.050 12.632 7.096 1.00 1.00 H new ATOM 0 HD1 TYR A 6 1.730 9.388 5.386 1.00 1.00 H new ATOM 0 HD2 TYR A 6 2.156 11.659 9.031 1.00 1.00 H new ATOM 0 HE1 TYR A 6 3.357 7.710 6.242 1.00 1.00 H new ATOM 0 HE2 TYR A 6 3.782 9.980 9.887 1.00 1.00 H new ATOM 0 HH TYR A 6 4.877 8.083 9.487 1.00 1.00 H new ATOM 105 N SER A 7 -1.242 13.532 7.740 1.00 1.00 N ATOM 106 CA SER A 7 -2.027 14.752 7.823 1.00 1.00 C ATOM 107 C SER A 7 -1.190 15.927 7.315 1.00 1.00 C ATOM 108 O SER A 7 0.024 15.939 7.566 1.00 1.00 O ATOM 109 CB SER A 7 -2.501 15.017 9.254 1.00 1.00 C ATOM 110 OG SER A 7 -3.830 14.552 9.471 1.00 1.00 O ATOM 0 H SER A 7 -0.461 13.491 8.395 1.00 1.00 H new ATOM 0 HA SER A 7 -2.914 14.636 7.201 1.00 1.00 H new ATOM 0 HB2 SER A 7 -1.826 14.527 9.956 1.00 1.00 H new ATOM 0 HB3 SER A 7 -2.453 16.086 9.460 1.00 1.00 H new ATOM 0 HG SER A 7 -4.095 14.738 10.396 1.00 1.00 H new ATOM 116 N TYR A 8 -1.843 16.877 6.622 1.00 1.00 N ATOM 117 CA TYR A 8 -1.104 18.017 6.107 1.00 1.00 C ATOM 118 C TYR A 8 -0.902 19.037 7.230 1.00 1.00 C ATOM 119 O TYR A 8 0.260 19.323 7.554 1.00 1.00 O ATOM 120 CB TYR A 8 -1.845 18.629 4.904 1.00 1.00 C ATOM 121 CG TYR A 8 -1.095 18.530 3.583 1.00 1.00 C ATOM 122 CD1 TYR A 8 -0.058 19.444 3.288 1.00 1.00 C ATOM 123 CD2 TYR A 8 -1.424 17.522 2.648 1.00 1.00 C ATOM 124 CE1 TYR A 8 0.642 19.354 2.067 1.00 1.00 C ATOM 125 CE2 TYR A 8 -0.724 17.431 1.426 1.00 1.00 C ATOM 126 CZ TYR A 8 0.310 18.348 1.134 1.00 1.00 C ATOM 127 OH TYR A 8 0.990 18.265 -0.048 1.00 1.00 O ATOM 0 H TYR A 8 -2.842 16.872 6.417 1.00 1.00 H new ATOM 0 HA TYR A 8 -0.123 17.698 5.756 1.00 1.00 H new ATOM 0 HB2 TYR A 8 -2.810 18.133 4.797 1.00 1.00 H new ATOM 0 HB3 TYR A 8 -2.048 19.679 5.114 1.00 1.00 H new ATOM 0 HD1 TYR A 8 0.199 20.214 4.000 1.00 1.00 H new ATOM 0 HD2 TYR A 8 -2.214 16.819 2.870 1.00 1.00 H new ATOM 0 HE1 TYR A 8 1.433 20.055 1.846 1.00 1.00 H new ATOM 0 HE2 TYR A 8 -0.979 16.660 0.714 1.00 1.00 H new ATOM 0 HH TYR A 8 0.639 17.518 -0.576 1.00 1.00 H new ATOM 137 N ILE A 9 -2.009 19.560 7.786 1.00 1.00 N ATOM 138 CA ILE A 9 -1.943 20.544 8.854 1.00 1.00 C ATOM 139 C ILE A 9 -1.094 19.990 10.000 1.00 1.00 C ATOM 140 O ILE A 9 -0.250 20.733 10.521 1.00 1.00 O ATOM 141 CB ILE A 9 -3.350 20.968 9.279 1.00 1.00 C ATOM 142 CG1 ILE A 9 -4.187 19.755 9.692 1.00 1.00 C ATOM 143 CG2 ILE A 9 -4.032 21.787 8.182 1.00 1.00 C ATOM 144 CD1 ILE A 9 -4.182 19.578 11.212 1.00 1.00 C ATOM 0 H ILE A 9 -2.957 19.310 7.505 1.00 1.00 H new ATOM 0 HA ILE A 9 -1.453 21.453 8.505 1.00 1.00 H new ATOM 0 HB ILE A 9 -3.262 21.612 10.154 1.00 1.00 H new ATOM 0 HG12 ILE A 9 -5.211 19.878 9.340 1.00 1.00 H new ATOM 0 HG13 ILE A 9 -3.792 18.857 9.216 1.00 1.00 H new ATOM 0 HG21 ILE A 9 -5.031 22.075 8.511 1.00 1.00 H new ATOM 0 HG22 ILE A 9 -3.445 22.682 7.978 1.00 1.00 H new ATOM 0 HG23 ILE A 9 -4.108 21.188 7.274 1.00 1.00 H new ATOM 0 HD11 ILE A 9 -4.784 18.709 11.479 1.00 1.00 H new ATOM 0 HD12 ILE A 9 -3.159 19.431 11.558 1.00 1.00 H new ATOM 0 HD13 ILE A 9 -4.600 20.468 11.683 1.00 1.00 H new ATOM 156 N ALA A 10 -1.332 18.717 10.365 1.00 1.00 N ATOM 157 CA ALA A 10 -0.594 18.074 11.439 1.00 1.00 C ATOM 158 C ALA A 10 0.894 18.045 11.084 1.00 1.00 C ATOM 159 O ALA A 10 1.719 17.969 12.006 1.00 1.00 O ATOM 160 CB ALA A 10 -1.034 16.614 11.562 1.00 1.00 C ATOM 0 H ALA A 10 -2.033 18.122 9.924 1.00 1.00 H new ATOM 0 HA ALA A 10 -0.777 18.624 12.362 1.00 1.00 H new ATOM 0 HB1 ALA A 10 -0.479 16.134 12.368 1.00 1.00 H new ATOM 0 HB2 ALA A 10 -2.101 16.573 11.781 1.00 1.00 H new ATOM 0 HB3 ALA A 10 -0.836 16.094 10.625 1.00 1.00 H new ATOM 166 N LEU A 11 1.202 18.105 9.776 1.00 1.00 N ATOM 167 CA LEU A 11 2.578 18.086 9.308 1.00 1.00 C ATOM 168 C LEU A 11 3.201 19.469 9.513 1.00 1.00 C ATOM 169 O LEU A 11 4.270 19.547 10.134 1.00 1.00 O ATOM 170 CB LEU A 11 2.644 17.590 7.862 1.00 1.00 C ATOM 171 CG LEU A 11 3.471 16.324 7.625 1.00 1.00 C ATOM 172 CD1 LEU A 11 4.959 16.589 7.864 1.00 1.00 C ATOM 173 CD2 LEU A 11 2.952 15.163 8.474 1.00 1.00 C ATOM 0 H LEU A 11 0.507 18.167 9.032 1.00 1.00 H new ATOM 0 HA LEU A 11 3.170 17.380 9.891 1.00 1.00 H new ATOM 0 HB2 LEU A 11 1.627 17.406 7.515 1.00 1.00 H new ATOM 0 HB3 LEU A 11 3.053 18.389 7.243 1.00 1.00 H new ATOM 0 HG LEU A 11 3.359 16.033 6.580 1.00 1.00 H new ATOM 0 HD11 LEU A 11 5.524 15.674 7.689 1.00 1.00 H new ATOM 0 HD12 LEU A 11 5.305 17.365 7.181 1.00 1.00 H new ATOM 0 HD13 LEU A 11 5.110 16.917 8.892 1.00 1.00 H new ATOM 0 HD21 LEU A 11 3.557 14.276 8.286 1.00 1.00 H new ATOM 0 HD22 LEU A 11 3.014 15.428 9.529 1.00 1.00 H new ATOM 0 HD23 LEU A 11 1.914 14.956 8.212 1.00 1.00 H new ATOM 185 N ILE A 12 2.531 20.514 8.995 1.00 1.00 N ATOM 186 CA ILE A 12 3.016 21.878 9.120 1.00 1.00 C ATOM 187 C ILE A 12 3.175 22.223 10.602 1.00 1.00 C ATOM 188 O ILE A 12 4.230 22.759 10.973 1.00 1.00 O ATOM 189 CB ILE A 12 2.105 22.842 8.359 1.00 1.00 C ATOM 190 CG1 ILE A 12 2.483 22.899 6.877 1.00 1.00 C ATOM 191 CG2 ILE A 12 2.112 24.229 9.005 1.00 1.00 C ATOM 192 CD1 ILE A 12 2.018 21.638 6.145 1.00 1.00 C ATOM 0 H ILE A 12 1.651 20.427 8.487 1.00 1.00 H new ATOM 0 HA ILE A 12 4.000 21.977 8.661 1.00 1.00 H new ATOM 0 HB ILE A 12 1.084 22.464 8.417 1.00 1.00 H new ATOM 0 HG12 ILE A 12 2.033 23.778 6.416 1.00 1.00 H new ATOM 0 HG13 ILE A 12 3.563 23.005 6.777 1.00 1.00 H new ATOM 0 HG21 ILE A 12 1.456 24.895 8.444 1.00 1.00 H new ATOM 0 HG22 ILE A 12 1.759 24.153 10.033 1.00 1.00 H new ATOM 0 HG23 ILE A 12 3.126 24.628 8.998 1.00 1.00 H new ATOM 0 HD11 ILE A 12 2.299 21.703 5.094 1.00 1.00 H new ATOM 0 HD12 ILE A 12 2.489 20.763 6.593 1.00 1.00 H new ATOM 0 HD13 ILE A 12 0.935 21.549 6.226 1.00 1.00 H new ATOM 204 N THR A 13 2.143 21.915 11.407 1.00 1.00 N ATOM 205 CA THR A 13 2.169 22.191 12.833 1.00 1.00 C ATOM 206 C THR A 13 3.532 21.790 13.401 1.00 1.00 C ATOM 207 O THR A 13 4.011 22.471 14.320 1.00 1.00 O ATOM 208 CB THR A 13 0.997 21.462 13.494 1.00 1.00 C ATOM 209 OG1 THR A 13 1.113 20.122 13.024 1.00 1.00 O ATOM 210 CG2 THR A 13 -0.359 21.929 12.960 1.00 1.00 C ATOM 0 H THR A 13 1.283 21.474 11.082 1.00 1.00 H new ATOM 0 HA THR A 13 2.046 23.255 13.037 1.00 1.00 H new ATOM 0 HB THR A 13 1.035 21.616 14.572 1.00 1.00 H new ATOM 0 HG1 THR A 13 0.761 19.506 13.700 1.00 1.00 H new ATOM 0 HG21 THR A 13 -1.156 21.380 13.462 1.00 1.00 H new ATOM 0 HG22 THR A 13 -0.477 22.996 13.150 1.00 1.00 H new ATOM 0 HG23 THR A 13 -0.411 21.744 11.887 1.00 1.00 H new ATOM 218 N MET A 14 4.119 20.712 12.853 1.00 1.00 N ATOM 219 CA MET A 14 5.413 20.227 13.302 1.00 1.00 C ATOM 220 C MET A 14 6.519 21.027 12.611 1.00 1.00 C ATOM 221 O MET A 14 7.549 21.283 13.252 1.00 1.00 O ATOM 222 CB MET A 14 5.571 18.743 12.968 1.00 1.00 C ATOM 223 CG MET A 14 6.163 17.975 14.151 1.00 1.00 C ATOM 224 SD MET A 14 6.187 16.194 13.788 1.00 1.00 S ATOM 225 CE MET A 14 7.091 16.206 12.212 1.00 1.00 C ATOM 0 H MET A 14 3.707 20.166 12.096 1.00 1.00 H new ATOM 0 HA MET A 14 5.484 20.352 14.382 1.00 1.00 H new ATOM 0 HB2 MET A 14 4.601 18.321 12.704 1.00 1.00 H new ATOM 0 HB3 MET A 14 6.216 18.629 12.097 1.00 1.00 H new ATOM 0 HG2 MET A 14 7.175 18.327 14.354 1.00 1.00 H new ATOM 0 HG3 MET A 14 5.574 18.163 15.049 1.00 1.00 H new ATOM 0 HE1 MET A 14 7.367 15.186 11.943 1.00 1.00 H new ATOM 0 HE2 MET A 14 6.457 16.628 11.432 1.00 1.00 H new ATOM 0 HE3 MET A 14 7.992 16.811 12.314 1.00 1.00 H new ATOM 235 N ALA A 15 6.289 21.399 11.339 1.00 1.00 N ATOM 236 CA ALA A 15 7.260 22.162 10.572 1.00 1.00 C ATOM 237 C ALA A 15 7.611 23.442 11.332 1.00 1.00 C ATOM 238 O ALA A 15 8.808 23.728 11.484 1.00 1.00 O ATOM 239 CB ALA A 15 6.635 22.607 9.248 1.00 1.00 C ATOM 0 H ALA A 15 5.434 21.178 10.829 1.00 1.00 H new ATOM 0 HA ALA A 15 8.138 21.537 10.407 1.00 1.00 H new ATOM 0 HB1 ALA A 15 7.365 23.179 8.675 1.00 1.00 H new ATOM 0 HB2 ALA A 15 6.331 21.730 8.676 1.00 1.00 H new ATOM 0 HB3 ALA A 15 5.763 23.230 9.448 1.00 1.00 H new ATOM 245 N ILE A 16 6.579 24.175 11.787 1.00 1.00 N ATOM 246 CA ILE A 16 6.778 25.412 12.524 1.00 1.00 C ATOM 247 C ILE A 16 7.657 25.137 13.746 1.00 1.00 C ATOM 248 O ILE A 16 8.555 25.946 14.020 1.00 1.00 O ATOM 249 CB ILE A 16 5.432 26.054 12.866 1.00 1.00 C ATOM 250 CG1 ILE A 16 5.512 27.579 12.767 1.00 1.00 C ATOM 251 CG2 ILE A 16 4.938 25.594 14.239 1.00 1.00 C ATOM 252 CD1 ILE A 16 6.320 28.162 13.928 1.00 1.00 C ATOM 0 H ILE A 16 5.600 23.922 11.651 1.00 1.00 H new ATOM 0 HA ILE A 16 7.306 26.141 11.909 1.00 1.00 H new ATOM 0 HB ILE A 16 4.698 25.721 12.132 1.00 1.00 H new ATOM 0 HG12 ILE A 16 5.973 27.862 11.820 1.00 1.00 H new ATOM 0 HG13 ILE A 16 4.507 28.001 12.771 1.00 1.00 H new ATOM 0 HG21 ILE A 16 3.980 26.065 14.457 1.00 1.00 H new ATOM 0 HG22 ILE A 16 4.818 24.511 14.238 1.00 1.00 H new ATOM 0 HG23 ILE A 16 5.664 25.878 15.001 1.00 1.00 H new ATOM 0 HD11 ILE A 16 6.361 29.247 13.834 1.00 1.00 H new ATOM 0 HD12 ILE A 16 5.843 27.898 14.872 1.00 1.00 H new ATOM 0 HD13 ILE A 16 7.332 27.757 13.907 1.00 1.00 H new ATOM 264 N LEU A 17 7.386 24.019 14.443 1.00 1.00 N ATOM 265 CA LEU A 17 8.146 23.644 15.623 1.00 1.00 C ATOM 266 C LEU A 17 9.641 23.736 15.311 1.00 1.00 C ATOM 267 O LEU A 17 10.397 24.198 16.178 1.00 1.00 O ATOM 268 CB LEU A 17 7.707 22.269 16.129 1.00 1.00 C ATOM 269 CG LEU A 17 6.210 22.101 16.401 1.00 1.00 C ATOM 270 CD1 LEU A 17 5.912 20.720 16.990 1.00 1.00 C ATOM 271 CD2 LEU A 17 5.685 23.229 17.291 1.00 1.00 C ATOM 0 H LEU A 17 6.642 23.365 14.199 1.00 1.00 H new ATOM 0 HA LEU A 17 7.947 24.337 16.441 1.00 1.00 H new ATOM 0 HB2 LEU A 17 8.009 21.521 15.396 1.00 1.00 H new ATOM 0 HB3 LEU A 17 8.250 22.052 17.049 1.00 1.00 H new ATOM 0 HG LEU A 17 5.680 22.167 15.451 1.00 1.00 H new ATOM 0 HD11 LEU A 17 4.842 20.626 17.174 1.00 1.00 H new ATOM 0 HD12 LEU A 17 6.228 19.949 16.288 1.00 1.00 H new ATOM 0 HD13 LEU A 17 6.453 20.600 17.928 1.00 1.00 H new ATOM 0 HD21 LEU A 17 4.619 23.086 17.469 1.00 1.00 H new ATOM 0 HD22 LEU A 17 6.216 23.219 18.243 1.00 1.00 H new ATOM 0 HD23 LEU A 17 5.845 24.187 16.796 1.00 1.00 H new ATOM 283 N GLN A 18 10.031 23.301 14.100 1.00 1.00 N ATOM 284 CA GLN A 18 11.422 23.334 13.681 1.00 1.00 C ATOM 285 C GLN A 18 12.031 24.688 14.053 1.00 1.00 C ATOM 286 O GLN A 18 13.258 24.761 14.207 1.00 1.00 O ATOM 287 CB GLN A 18 11.565 23.062 12.182 1.00 1.00 C ATOM 288 CG GLN A 18 11.595 21.559 11.898 1.00 1.00 C ATOM 289 CD GLN A 18 12.978 20.974 12.192 1.00 1.00 C ATOM 290 OE1 GLN A 18 13.160 20.162 13.085 1.00 1.00 O ATOM 291 NE2 GLN A 18 13.939 21.429 11.394 1.00 1.00 N ATOM 0 H GLN A 18 9.392 22.923 13.400 1.00 1.00 H new ATOM 0 HA GLN A 18 11.961 22.542 14.200 1.00 1.00 H new ATOM 0 HB2 GLN A 18 10.735 23.521 11.645 1.00 1.00 H new ATOM 0 HB3 GLN A 18 12.480 23.524 11.810 1.00 1.00 H new ATOM 0 HG2 GLN A 18 10.846 21.055 12.508 1.00 1.00 H new ATOM 0 HG3 GLN A 18 11.333 21.377 10.856 1.00 1.00 H new ATOM 0 HE21 GLN A 18 13.718 22.108 10.666 1.00 1.00 H new ATOM 0 HE22 GLN A 18 14.897 21.099 11.510 1.00 1.00 H new ATOM 300 N SER A 19 11.174 25.716 14.187 1.00 1.00 N ATOM 301 CA SER A 19 11.624 27.053 14.537 1.00 1.00 C ATOM 302 C SER A 19 11.134 27.399 15.944 1.00 1.00 C ATOM 303 O SER A 19 10.026 27.941 16.065 1.00 1.00 O ATOM 304 CB SER A 19 11.128 28.093 13.531 1.00 1.00 C ATOM 305 OG SER A 19 9.706 28.111 13.440 1.00 1.00 O ATOM 0 H SER A 19 10.166 25.634 14.056 1.00 1.00 H new ATOM 0 HA SER A 19 12.714 27.069 14.513 1.00 1.00 H new ATOM 0 HB2 SER A 19 11.485 29.080 13.824 1.00 1.00 H new ATOM 0 HB3 SER A 19 11.552 27.879 12.550 1.00 1.00 H new ATOM 0 HG SER A 19 9.332 27.414 14.018 1.00 1.00 H new ATOM 311 N PRO A 20 11.954 27.085 16.962 1.00 1.00 N ATOM 312 CA PRO A 20 11.639 27.346 18.357 1.00 1.00 C ATOM 313 C PRO A 20 11.793 28.833 18.684 1.00 1.00 C ATOM 314 O PRO A 20 11.843 29.172 19.875 1.00 1.00 O ATOM 315 CB PRO A 20 12.590 26.462 19.147 1.00 1.00 C ATOM 316 CG PRO A 20 13.710 26.092 18.188 1.00 1.00 C ATOM 317 CD PRO A 20 13.255 26.446 16.782 1.00 1.00 C ATOM 0 HA PRO A 20 10.603 27.115 18.605 1.00 1.00 H new ATOM 0 HB2 PRO A 20 12.980 26.989 20.018 1.00 1.00 H new ATOM 0 HB3 PRO A 20 12.081 25.571 19.515 1.00 1.00 H new ATOM 0 HG2 PRO A 20 14.623 26.631 18.441 1.00 1.00 H new ATOM 0 HG3 PRO A 20 13.938 25.028 18.259 1.00 1.00 H new ATOM 0 HD2 PRO A 20 13.962 27.118 16.295 1.00 1.00 H new ATOM 0 HD3 PRO A 20 13.176 25.557 16.156 1.00 1.00 H new ATOM 325 N GLN A 21 11.864 29.676 17.638 1.00 1.00 N ATOM 326 CA GLN A 21 12.011 31.111 17.814 1.00 1.00 C ATOM 327 C GLN A 21 10.972 31.834 16.955 1.00 1.00 C ATOM 328 O GLN A 21 9.893 32.152 17.476 1.00 1.00 O ATOM 329 CB GLN A 21 13.427 31.577 17.472 1.00 1.00 C ATOM 330 CG GLN A 21 13.519 33.104 17.485 1.00 1.00 C ATOM 331 CD GLN A 21 13.126 33.666 18.853 1.00 1.00 C ATOM 332 OE1 GLN A 21 13.706 33.341 19.876 1.00 1.00 O ATOM 333 NE2 GLN A 21 12.112 34.525 18.814 1.00 1.00 N ATOM 0 H GLN A 21 11.821 29.376 16.664 1.00 1.00 H new ATOM 0 HA GLN A 21 11.843 31.354 18.863 1.00 1.00 H new ATOM 0 HB2 GLN A 21 14.134 31.160 18.189 1.00 1.00 H new ATOM 0 HB3 GLN A 21 13.710 31.200 16.489 1.00 1.00 H new ATOM 0 HG2 GLN A 21 14.535 33.413 17.239 1.00 1.00 H new ATOM 0 HG3 GLN A 21 12.866 33.518 16.717 1.00 1.00 H new ATOM 0 HE21 GLN A 21 11.671 34.753 17.923 1.00 1.00 H new ATOM 0 HE22 GLN A 21 11.775 34.956 19.675 1.00 1.00 H new ATOM 342 N LYS A 22 11.312 32.076 15.676 1.00 1.00 N ATOM 343 CA LYS A 22 10.415 32.756 14.757 1.00 1.00 C ATOM 344 C LYS A 22 11.115 32.936 13.408 1.00 1.00 C ATOM 345 O LYS A 22 10.968 34.010 12.807 1.00 1.00 O ATOM 346 CB LYS A 22 9.912 34.065 15.368 1.00 1.00 C ATOM 347 CG LYS A 22 8.397 34.025 15.578 1.00 1.00 C ATOM 348 CD LYS A 22 7.762 35.380 15.255 1.00 1.00 C ATOM 349 CE LYS A 22 7.867 36.332 16.448 1.00 1.00 C ATOM 350 NZ LYS A 22 8.952 37.305 16.236 1.00 1.00 N ATOM 0 H LYS A 22 12.206 31.806 15.266 1.00 1.00 H new ATOM 0 HA LYS A 22 9.525 32.153 14.578 1.00 1.00 H new ATOM 0 HB2 LYS A 22 10.410 34.241 16.321 1.00 1.00 H new ATOM 0 HB3 LYS A 22 10.170 34.898 14.715 1.00 1.00 H new ATOM 0 HG2 LYS A 22 7.959 33.254 14.944 1.00 1.00 H new ATOM 0 HG3 LYS A 22 8.176 33.753 16.610 1.00 1.00 H new ATOM 0 HD2 LYS A 22 8.256 35.820 14.389 1.00 1.00 H new ATOM 0 HD3 LYS A 22 6.715 35.240 14.987 1.00 1.00 H new ATOM 0 HE2 LYS A 22 6.922 36.857 16.587 1.00 1.00 H new ATOM 0 HE3 LYS A 22 8.053 35.764 17.359 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 9.010 37.944 17.055 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 9.855 36.800 16.126 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 8.759 37.859 15.377 1.00 1.00 H new ATOM 364 N LYS A 23 11.850 31.899 12.968 1.00 1.00 N ATOM 365 CA LYS A 23 12.564 31.944 11.703 1.00 1.00 C ATOM 366 C LYS A 23 12.472 30.577 11.022 1.00 1.00 C ATOM 367 O LYS A 23 13.143 29.642 11.484 1.00 1.00 O ATOM 368 CB LYS A 23 13.999 32.430 11.915 1.00 1.00 C ATOM 369 CG LYS A 23 14.107 33.938 11.681 1.00 1.00 C ATOM 370 CD LYS A 23 15.320 34.521 12.410 1.00 1.00 C ATOM 371 CE LYS A 23 14.973 35.859 13.066 1.00 1.00 C ATOM 372 NZ LYS A 23 15.302 35.830 14.500 1.00 1.00 N ATOM 0 H LYS A 23 11.958 31.023 13.479 1.00 1.00 H new ATOM 0 HA LYS A 23 12.103 32.667 11.031 1.00 1.00 H new ATOM 0 HB2 LYS A 23 14.322 32.192 12.929 1.00 1.00 H new ATOM 0 HB3 LYS A 23 14.669 31.904 11.235 1.00 1.00 H new ATOM 0 HG2 LYS A 23 14.189 34.139 10.613 1.00 1.00 H new ATOM 0 HG3 LYS A 23 13.198 34.430 12.029 1.00 1.00 H new ATOM 0 HD2 LYS A 23 15.665 33.819 13.169 1.00 1.00 H new ATOM 0 HD3 LYS A 23 16.141 34.659 11.706 1.00 1.00 H new ATOM 0 HE2 LYS A 23 15.522 36.664 12.577 1.00 1.00 H new ATOM 0 HE3 LYS A 23 13.912 36.071 12.934 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 15.060 36.746 14.930 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 14.759 35.075 14.965 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 16.319 35.649 14.619 1.00 1.00 H new ATOM 386 N LEU A 24 11.658 30.489 9.955 1.00 1.00 N ATOM 387 CA LEU A 24 11.483 29.248 9.220 1.00 1.00 C ATOM 388 C LEU A 24 11.898 29.460 7.763 1.00 1.00 C ATOM 389 O LEU A 24 11.360 30.377 7.124 1.00 1.00 O ATOM 390 CB LEU A 24 10.054 28.726 9.383 1.00 1.00 C ATOM 391 CG LEU A 24 9.684 28.206 10.774 1.00 1.00 C ATOM 392 CD1 LEU A 24 8.184 28.361 11.036 1.00 1.00 C ATOM 393 CD2 LEU A 24 10.153 26.763 10.963 1.00 1.00 C ATOM 0 H LEU A 24 11.115 31.272 9.591 1.00 1.00 H new ATOM 0 HA LEU A 24 12.130 28.470 9.626 1.00 1.00 H new ATOM 0 HB2 LEU A 24 9.363 29.528 9.121 1.00 1.00 H new ATOM 0 HB3 LEU A 24 9.898 27.923 8.663 1.00 1.00 H new ATOM 0 HG LEU A 24 10.205 28.813 11.515 1.00 1.00 H new ATOM 0 HD11 LEU A 24 7.948 27.984 12.031 1.00 1.00 H new ATOM 0 HD12 LEU A 24 7.910 29.414 10.973 1.00 1.00 H new ATOM 0 HD13 LEU A 24 7.624 27.795 10.291 1.00 1.00 H new ATOM 0 HD21 LEU A 24 9.877 26.418 11.960 1.00 1.00 H new ATOM 0 HD22 LEU A 24 9.681 26.126 10.215 1.00 1.00 H new ATOM 0 HD23 LEU A 24 11.236 26.715 10.849 1.00 1.00 H new ATOM 405 N THR A 25 12.829 28.623 7.274 1.00 1.00 N ATOM 406 CA THR A 25 13.309 28.719 5.906 1.00 1.00 C ATOM 407 C THR A 25 12.657 27.620 5.063 1.00 1.00 C ATOM 408 O THR A 25 12.936 26.439 5.318 1.00 1.00 O ATOM 409 CB THR A 25 14.837 28.649 5.918 1.00 1.00 C ATOM 410 OG1 THR A 25 15.128 27.539 6.762 1.00 1.00 O ATOM 411 CG2 THR A 25 15.472 29.841 6.637 1.00 1.00 C ATOM 0 H THR A 25 13.258 27.874 7.817 1.00 1.00 H new ATOM 0 HA THR A 25 13.031 29.669 5.449 1.00 1.00 H new ATOM 0 HB THR A 25 15.206 28.605 4.893 1.00 1.00 H new ATOM 0 HG1 THR A 25 14.503 26.809 6.569 1.00 1.00 H new ATOM 0 HG21 THR A 25 16.557 29.742 6.617 1.00 1.00 H new ATOM 0 HG22 THR A 25 15.182 30.765 6.136 1.00 1.00 H new ATOM 0 HG23 THR A 25 15.129 29.867 7.671 1.00 1.00 H new ATOM 419 N LEU A 26 11.817 28.023 4.094 1.00 1.00 N ATOM 420 CA LEU A 26 11.134 27.080 3.225 1.00 1.00 C ATOM 421 C LEU A 26 12.115 25.986 2.796 1.00 1.00 C ATOM 422 O LEU A 26 11.684 24.834 2.644 1.00 1.00 O ATOM 423 CB LEU A 26 10.477 27.810 2.052 1.00 1.00 C ATOM 424 CG LEU A 26 10.566 27.113 0.693 1.00 1.00 C ATOM 425 CD1 LEU A 26 9.631 25.903 0.636 1.00 1.00 C ATOM 426 CD2 LEU A 26 10.299 28.098 -0.447 1.00 1.00 C ATOM 0 H LEU A 26 11.602 29.001 3.901 1.00 1.00 H new ATOM 0 HA LEU A 26 10.321 26.589 3.760 1.00 1.00 H new ATOM 0 HB2 LEU A 26 9.425 27.965 2.290 1.00 1.00 H new ATOM 0 HB3 LEU A 26 10.932 28.796 1.963 1.00 1.00 H new ATOM 0 HG LEU A 26 11.583 26.741 0.565 1.00 1.00 H new ATOM 0 HD11 LEU A 26 9.713 25.425 -0.340 1.00 1.00 H new ATOM 0 HD12 LEU A 26 9.910 25.191 1.413 1.00 1.00 H new ATOM 0 HD13 LEU A 26 8.603 26.230 0.795 1.00 1.00 H new ATOM 0 HD21 LEU A 26 10.368 27.577 -1.402 1.00 1.00 H new ATOM 0 HD22 LEU A 26 9.301 28.521 -0.336 1.00 1.00 H new ATOM 0 HD23 LEU A 26 11.038 28.899 -0.416 1.00 1.00 H new ATOM 438 N SER A 27 13.394 26.362 2.613 1.00 1.00 N ATOM 439 CA SER A 27 14.422 25.420 2.206 1.00 1.00 C ATOM 440 C SER A 27 14.653 24.407 3.329 1.00 1.00 C ATOM 441 O SER A 27 14.803 23.214 3.025 1.00 1.00 O ATOM 442 CB SER A 27 15.730 26.134 1.859 1.00 1.00 C ATOM 443 OG SER A 27 15.585 26.998 0.735 1.00 1.00 O ATOM 0 H SER A 27 13.729 27.317 2.744 1.00 1.00 H new ATOM 0 HA SER A 27 14.082 24.904 1.308 1.00 1.00 H new ATOM 0 HB2 SER A 27 16.067 26.712 2.720 1.00 1.00 H new ATOM 0 HB3 SER A 27 16.503 25.394 1.650 1.00 1.00 H new ATOM 0 HG SER A 27 16.323 27.642 0.720 1.00 1.00 H new ATOM 449 N GLY A 28 14.676 24.892 4.583 1.00 1.00 N ATOM 450 CA GLY A 28 14.886 24.035 5.737 1.00 1.00 C ATOM 451 C GLY A 28 13.585 23.300 6.064 1.00 1.00 C ATOM 452 O GLY A 28 13.650 22.246 6.714 1.00 1.00 O ATOM 0 H GLY A 28 14.550 25.878 4.811 1.00 1.00 H new ATOM 0 HA2 GLY A 28 15.681 23.318 5.532 1.00 1.00 H new ATOM 0 HA3 GLY A 28 15.206 24.630 6.593 1.00 1.00 H new ATOM 456 N ILE A 29 12.447 23.860 5.616 1.00 1.00 N ATOM 457 CA ILE A 29 11.146 23.262 5.860 1.00 1.00 C ATOM 458 C ILE A 29 10.924 22.114 4.872 1.00 1.00 C ATOM 459 O ILE A 29 10.597 21.006 5.320 1.00 1.00 O ATOM 460 CB ILE A 29 10.050 24.328 5.820 1.00 1.00 C ATOM 461 CG1 ILE A 29 9.841 24.952 7.201 1.00 1.00 C ATOM 462 CG2 ILE A 29 8.751 23.758 5.246 1.00 1.00 C ATOM 463 CD1 ILE A 29 11.067 25.761 7.629 1.00 1.00 C ATOM 0 H ILE A 29 12.415 24.729 5.082 1.00 1.00 H new ATOM 0 HA ILE A 29 11.105 22.834 6.862 1.00 1.00 H new ATOM 0 HB ILE A 29 10.374 25.126 5.152 1.00 1.00 H new ATOM 0 HG12 ILE A 29 8.963 25.598 7.183 1.00 1.00 H new ATOM 0 HG13 ILE A 29 9.645 24.168 7.932 1.00 1.00 H new ATOM 0 HG21 ILE A 29 7.988 24.537 5.229 1.00 1.00 H new ATOM 0 HG22 ILE A 29 8.928 23.400 4.232 1.00 1.00 H new ATOM 0 HG23 ILE A 29 8.411 22.930 5.868 1.00 1.00 H new ATOM 0 HD11 ILE A 29 10.892 26.194 8.614 1.00 1.00 H new ATOM 0 HD12 ILE A 29 11.938 25.107 7.670 1.00 1.00 H new ATOM 0 HD13 ILE A 29 11.246 26.559 6.909 1.00 1.00 H new ATOM 475 N CYS A 30 11.103 22.398 3.569 1.00 1.00 N ATOM 476 CA CYS A 30 10.923 21.397 2.532 1.00 1.00 C ATOM 477 C CYS A 30 11.928 20.263 2.744 1.00 1.00 C ATOM 478 O CYS A 30 11.574 19.104 2.481 1.00 1.00 O ATOM 479 CB CYS A 30 11.049 22.017 1.139 1.00 1.00 C ATOM 480 SG CYS A 30 12.665 22.765 0.781 1.00 1.00 S ATOM 0 H CYS A 30 11.373 23.318 3.221 1.00 1.00 H new ATOM 0 HA CYS A 30 9.916 20.985 2.600 1.00 1.00 H new ATOM 0 HB2 CYS A 30 10.848 21.247 0.394 1.00 1.00 H new ATOM 0 HB3 CYS A 30 10.278 22.779 1.025 1.00 1.00 H new ATOM 0 HG CYS A 30 12.682 23.195 -0.446 1.00 1.00 H new ATOM 486 N GLU A 31 13.141 20.612 3.208 1.00 1.00 N ATOM 487 CA GLU A 31 14.184 19.630 3.452 1.00 1.00 C ATOM 488 C GLU A 31 13.780 18.746 4.634 1.00 1.00 C ATOM 489 O GLU A 31 14.049 17.537 4.585 1.00 1.00 O ATOM 490 CB GLU A 31 15.537 20.298 3.705 1.00 1.00 C ATOM 491 CG GLU A 31 16.629 19.253 3.941 1.00 1.00 C ATOM 492 CD GLU A 31 17.681 19.299 2.831 1.00 1.00 C ATOM 493 OE1 GLU A 31 17.463 18.739 1.747 1.00 1.00 O ATOM 494 OE2 GLU A 31 18.758 19.945 3.127 1.00 1.00 O ATOM 0 H GLU A 31 13.413 21.572 3.419 1.00 1.00 H new ATOM 0 HA GLU A 31 14.297 19.012 2.562 1.00 1.00 H new ATOM 0 HB2 GLU A 31 15.804 20.922 2.852 1.00 1.00 H new ATOM 0 HB3 GLU A 31 15.465 20.956 4.571 1.00 1.00 H new ATOM 0 HG2 GLU A 31 17.105 19.430 4.905 1.00 1.00 H new ATOM 0 HG3 GLU A 31 16.183 18.259 3.984 1.00 1.00 H new ATOM 501 N PHE A 32 13.153 19.356 5.656 1.00 1.00 N ATOM 502 CA PHE A 32 12.718 18.630 6.837 1.00 1.00 C ATOM 503 C PHE A 32 11.726 17.541 6.423 1.00 1.00 C ATOM 504 O PHE A 32 11.961 16.371 6.758 1.00 1.00 O ATOM 505 CB PHE A 32 12.068 19.615 7.828 1.00 1.00 C ATOM 506 CG PHE A 32 10.779 19.115 8.467 1.00 1.00 C ATOM 507 CD1 PHE A 32 10.759 17.887 9.168 1.00 1.00 C ATOM 508 CD2 PHE A 32 9.592 19.875 8.356 1.00 1.00 C ATOM 509 CE1 PHE A 32 9.561 17.424 9.755 1.00 1.00 C ATOM 510 CE2 PHE A 32 8.395 19.412 8.943 1.00 1.00 C ATOM 511 CZ PHE A 32 8.380 18.187 9.643 1.00 1.00 C ATOM 0 H PHE A 32 12.941 20.354 5.676 1.00 1.00 H new ATOM 0 HA PHE A 32 13.571 18.157 7.324 1.00 1.00 H new ATOM 0 HB2 PHE A 32 12.785 19.842 8.617 1.00 1.00 H new ATOM 0 HB3 PHE A 32 11.861 20.550 7.307 1.00 1.00 H new ATOM 0 HD1 PHE A 32 11.662 17.302 9.255 1.00 1.00 H new ATOM 0 HD2 PHE A 32 9.601 20.813 7.820 1.00 1.00 H new ATOM 0 HE1 PHE A 32 9.549 16.486 10.290 1.00 1.00 H new ATOM 0 HE2 PHE A 32 7.490 19.995 8.856 1.00 1.00 H new ATOM 0 HZ PHE A 32 7.464 17.834 10.093 1.00 1.00 H new ATOM 521 N ILE A 33 10.654 17.941 5.715 1.00 1.00 N ATOM 522 CA ILE A 33 9.638 17.006 5.262 1.00 1.00 C ATOM 523 C ILE A 33 10.283 15.962 4.349 1.00 1.00 C ATOM 524 O ILE A 33 10.186 14.765 4.659 1.00 1.00 O ATOM 525 CB ILE A 33 8.472 17.754 4.613 1.00 1.00 C ATOM 526 CG1 ILE A 33 7.762 18.650 5.630 1.00 1.00 C ATOM 527 CG2 ILE A 33 7.506 16.781 3.934 1.00 1.00 C ATOM 528 CD1 ILE A 33 7.219 19.915 4.962 1.00 1.00 C ATOM 0 H ILE A 33 10.479 18.910 5.450 1.00 1.00 H new ATOM 0 HA ILE A 33 9.210 16.469 6.109 1.00 1.00 H new ATOM 0 HB ILE A 33 8.874 18.404 3.836 1.00 1.00 H new ATOM 0 HG12 ILE A 33 6.944 18.100 6.095 1.00 1.00 H new ATOM 0 HG13 ILE A 33 8.455 18.924 6.425 1.00 1.00 H new ATOM 0 HG21 ILE A 33 6.687 17.339 3.481 1.00 1.00 H new ATOM 0 HG22 ILE A 33 8.035 16.222 3.162 1.00 1.00 H new ATOM 0 HG23 ILE A 33 7.107 16.088 4.675 1.00 1.00 H new ATOM 0 HD11 ILE A 33 6.719 20.534 5.707 1.00 1.00 H new ATOM 0 HD12 ILE A 33 8.043 20.475 4.519 1.00 1.00 H new ATOM 0 HD13 ILE A 33 6.508 19.639 4.184 1.00 1.00 H new ATOM 540 N SER A 34 10.919 16.426 3.258 1.00 1.00 N ATOM 541 CA SER A 34 11.573 15.539 2.311 1.00 1.00 C ATOM 542 C SER A 34 12.555 14.635 3.060 1.00 1.00 C ATOM 543 O SER A 34 12.871 13.553 2.544 1.00 1.00 O ATOM 544 CB SER A 34 12.301 16.324 1.219 1.00 1.00 C ATOM 545 OG SER A 34 13.309 15.543 0.583 1.00 1.00 O ATOM 0 H SER A 34 10.987 17.416 3.020 1.00 1.00 H new ATOM 0 HA SER A 34 10.811 14.931 1.824 1.00 1.00 H new ATOM 0 HB2 SER A 34 11.581 16.663 0.474 1.00 1.00 H new ATOM 0 HB3 SER A 34 12.753 17.216 1.653 1.00 1.00 H new ATOM 0 HG SER A 34 13.750 16.079 -0.109 1.00 1.00 H new ATOM 551 N ASN A 35 13.009 15.088 4.242 1.00 1.00 N ATOM 552 CA ASN A 35 13.945 14.326 5.051 1.00 1.00 C ATOM 553 C ASN A 35 13.324 12.973 5.404 1.00 1.00 C ATOM 554 O ASN A 35 14.037 11.961 5.338 1.00 1.00 O ATOM 555 CB ASN A 35 14.265 15.055 6.358 1.00 1.00 C ATOM 556 CG ASN A 35 15.734 14.870 6.743 1.00 1.00 C ATOM 557 OD1 ASN A 35 16.294 13.790 6.657 1.00 1.00 O ATOM 558 ND2 ASN A 35 16.324 15.982 7.172 1.00 1.00 N ATOM 0 H ASN A 35 12.735 15.982 4.649 1.00 1.00 H new ATOM 0 HA ASN A 35 14.862 14.199 4.475 1.00 1.00 H new ATOM 0 HB2 ASN A 35 14.045 16.117 6.250 1.00 1.00 H new ATOM 0 HB3 ASN A 35 13.626 14.677 7.156 1.00 1.00 H new ATOM 0 HD21 ASN A 35 17.304 15.963 7.454 1.00 1.00 H new ATOM 0 HD22 ASN A 35 15.796 16.854 7.219 1.00 1.00 H new ATOM 565 N ARG A 36 12.028 12.982 5.765 1.00 1.00 N ATOM 566 CA ARG A 36 11.321 11.764 6.123 1.00 1.00 C ATOM 567 C ARG A 36 10.094 11.608 5.222 1.00 1.00 C ATOM 568 O ARG A 36 9.056 11.141 5.715 1.00 1.00 O ATOM 569 CB ARG A 36 10.871 11.783 7.586 1.00 1.00 C ATOM 570 CG ARG A 36 10.080 13.054 7.899 1.00 1.00 C ATOM 571 CD ARG A 36 8.731 12.717 8.537 1.00 1.00 C ATOM 572 NE ARG A 36 8.030 13.960 8.928 1.00 1.00 N ATOM 573 CZ ARG A 36 6.799 13.994 9.481 1.00 1.00 C ATOM 574 NH1 ARG A 36 6.153 12.840 9.698 1.00 1.00 N ATOM 575 NH2 ARG A 36 6.231 15.163 9.807 1.00 1.00 N ATOM 0 H ARG A 36 11.458 13.827 5.813 1.00 1.00 H new ATOM 0 HA ARG A 36 12.004 10.925 5.988 1.00 1.00 H new ATOM 0 HB2 ARG A 36 10.256 10.907 7.792 1.00 1.00 H new ATOM 0 HB3 ARG A 36 11.742 11.722 8.239 1.00 1.00 H new ATOM 0 HG2 ARG A 36 10.656 13.689 8.572 1.00 1.00 H new ATOM 0 HG3 ARG A 36 9.921 13.623 6.983 1.00 1.00 H new ATOM 0 HD2 ARG A 36 8.119 12.150 7.835 1.00 1.00 H new ATOM 0 HD3 ARG A 36 8.881 12.084 9.412 1.00 1.00 H new ATOM 0 HE ARG A 36 8.507 14.847 8.770 1.00 1.00 H new ATOM 0 HH11 ARG A 36 6.592 11.955 9.446 1.00 1.00 H new ATOM 0 HH12 ARG A 36 5.222 12.847 10.115 1.00 1.00 H new ATOM 0 HH21 ARG A 36 6.729 16.037 9.638 1.00 1.00 H new ATOM 0 HH22 ARG A 36 5.300 15.179 10.224 1.00 1.00 H new ATOM 589 N PHE A 37 10.234 11.994 3.941 1.00 1.00 N ATOM 590 CA PHE A 37 9.146 11.896 2.984 1.00 1.00 C ATOM 591 C PHE A 37 9.680 11.333 1.666 1.00 1.00 C ATOM 592 O PHE A 37 9.617 12.043 0.652 1.00 1.00 O ATOM 593 CB PHE A 37 8.530 13.293 2.772 1.00 1.00 C ATOM 594 CG PHE A 37 7.399 13.641 3.730 1.00 1.00 C ATOM 595 CD1 PHE A 37 7.609 13.605 5.128 1.00 1.00 C ATOM 596 CD2 PHE A 37 6.127 13.996 3.225 1.00 1.00 C ATOM 597 CE1 PHE A 37 6.557 13.923 6.013 1.00 1.00 C ATOM 598 CE2 PHE A 37 5.075 14.315 4.110 1.00 1.00 C ATOM 599 CZ PHE A 37 5.290 14.279 5.504 1.00 1.00 C ATOM 0 H PHE A 37 11.097 12.376 3.555 1.00 1.00 H new ATOM 0 HA PHE A 37 8.373 11.226 3.360 1.00 1.00 H new ATOM 0 HB2 PHE A 37 9.316 14.041 2.873 1.00 1.00 H new ATOM 0 HB3 PHE A 37 8.156 13.359 1.750 1.00 1.00 H new ATOM 0 HD1 PHE A 37 8.578 13.333 5.520 1.00 1.00 H new ATOM 0 HD2 PHE A 37 5.960 14.023 2.158 1.00 1.00 H new ATOM 0 HE1 PHE A 37 6.722 13.894 7.080 1.00 1.00 H new ATOM 0 HE2 PHE A 37 4.105 14.587 3.720 1.00 1.00 H new ATOM 0 HZ PHE A 37 4.485 14.524 6.181 1.00 1.00 H new ATOM 609 N PRO A 38 10.187 10.087 1.706 1.00 1.00 N ATOM 610 CA PRO A 38 10.734 9.407 0.544 1.00 1.00 C ATOM 611 C PRO A 38 9.618 8.929 -0.387 1.00 1.00 C ATOM 612 O PRO A 38 9.539 9.430 -1.518 1.00 1.00 O ATOM 613 CB PRO A 38 11.564 8.267 1.110 1.00 1.00 C ATOM 614 CG PRO A 38 11.079 8.068 2.537 1.00 1.00 C ATOM 615 CD PRO A 38 10.245 9.279 2.920 1.00 1.00 C ATOM 0 HA PRO A 38 11.349 10.060 -0.075 1.00 1.00 H new ATOM 0 HB2 PRO A 38 11.432 7.359 0.522 1.00 1.00 H new ATOM 0 HB3 PRO A 38 12.627 8.509 1.089 1.00 1.00 H new ATOM 0 HG2 PRO A 38 10.486 7.157 2.615 1.00 1.00 H new ATOM 0 HG3 PRO A 38 11.925 7.957 3.216 1.00 1.00 H new ATOM 0 HD2 PRO A 38 9.248 8.985 3.248 1.00 1.00 H new ATOM 0 HD3 PRO A 38 10.702 9.831 3.742 1.00 1.00 H new ATOM 623 N TYR A 39 8.791 7.985 0.098 1.00 1.00 N ATOM 624 CA TYR A 39 7.713 7.486 -0.738 1.00 1.00 C ATOM 625 C TYR A 39 6.695 8.604 -0.972 1.00 1.00 C ATOM 626 O TYR A 39 5.895 8.476 -1.910 1.00 1.00 O ATOM 627 CB TYR A 39 7.068 6.249 -0.087 1.00 1.00 C ATOM 628 CG TYR A 39 7.898 4.977 -0.187 1.00 1.00 C ATOM 629 CD1 TYR A 39 7.857 4.186 -1.359 1.00 1.00 C ATOM 630 CD2 TYR A 39 8.711 4.576 0.898 1.00 1.00 C ATOM 631 CE1 TYR A 39 8.626 3.006 -1.445 1.00 1.00 C ATOM 632 CE2 TYR A 39 9.480 3.396 0.811 1.00 1.00 C ATOM 633 CZ TYR A 39 9.439 2.610 -0.361 1.00 1.00 C ATOM 634 OH TYR A 39 10.186 1.469 -0.441 1.00 1.00 O ATOM 0 H TYR A 39 8.852 7.573 1.029 1.00 1.00 H new ATOM 0 HA TYR A 39 8.105 7.176 -1.707 1.00 1.00 H new ATOM 0 HB2 TYR A 39 6.881 6.464 0.965 1.00 1.00 H new ATOM 0 HB3 TYR A 39 6.099 6.073 -0.553 1.00 1.00 H new ATOM 0 HD1 TYR A 39 7.236 4.486 -2.190 1.00 1.00 H new ATOM 0 HD2 TYR A 39 8.744 5.175 1.796 1.00 1.00 H new ATOM 0 HE1 TYR A 39 8.593 2.405 -2.342 1.00 1.00 H new ATOM 0 HE2 TYR A 39 10.100 3.094 1.642 1.00 1.00 H new ATOM 0 HH TYR A 39 10.687 1.347 0.392 1.00 1.00 H new ATOM 644 N TYR A 40 6.735 9.652 -0.130 1.00 1.00 N ATOM 645 CA TYR A 40 5.782 10.735 -0.297 1.00 1.00 C ATOM 646 C TYR A 40 6.240 11.640 -1.442 1.00 1.00 C ATOM 647 O TYR A 40 5.409 11.951 -2.308 1.00 1.00 O ATOM 648 CB TYR A 40 5.628 11.514 1.023 1.00 1.00 C ATOM 649 CG TYR A 40 4.251 11.406 1.662 1.00 1.00 C ATOM 650 CD1 TYR A 40 3.090 11.340 0.857 1.00 1.00 C ATOM 651 CD2 TYR A 40 4.126 11.377 3.070 1.00 1.00 C ATOM 652 CE1 TYR A 40 1.816 11.244 1.455 1.00 1.00 C ATOM 653 CE2 TYR A 40 2.851 11.280 3.668 1.00 1.00 C ATOM 654 CZ TYR A 40 1.695 11.213 2.861 1.00 1.00 C ATOM 655 OH TYR A 40 0.463 11.118 3.444 1.00 1.00 O ATOM 0 H TYR A 40 7.394 9.761 0.641 1.00 1.00 H new ATOM 0 HA TYR A 40 4.802 10.332 -0.553 1.00 1.00 H new ATOM 0 HB2 TYR A 40 6.373 11.153 1.732 1.00 1.00 H new ATOM 0 HB3 TYR A 40 5.847 12.565 0.837 1.00 1.00 H new ATOM 0 HD1 TYR A 40 3.179 11.363 -0.219 1.00 1.00 H new ATOM 0 HD2 TYR A 40 5.009 11.429 3.690 1.00 1.00 H new ATOM 0 HE1 TYR A 40 0.932 11.194 0.836 1.00 1.00 H new ATOM 0 HE2 TYR A 40 2.760 11.257 4.744 1.00 1.00 H new ATOM 0 HH TYR A 40 0.299 10.190 3.713 1.00 1.00 H new ATOM 665 N ARG A 41 7.523 12.046 -1.424 1.00 1.00 N ATOM 666 CA ARG A 41 8.070 12.915 -2.451 1.00 1.00 C ATOM 667 C ARG A 41 7.964 12.220 -3.810 1.00 1.00 C ATOM 668 O ARG A 41 7.679 12.906 -4.803 1.00 1.00 O ATOM 669 CB ARG A 41 9.535 13.259 -2.176 1.00 1.00 C ATOM 670 CG ARG A 41 10.113 14.132 -3.293 1.00 1.00 C ATOM 671 CD ARG A 41 10.699 15.427 -2.728 1.00 1.00 C ATOM 672 NE ARG A 41 10.484 16.538 -3.683 1.00 1.00 N ATOM 673 CZ ARG A 41 11.155 16.677 -4.846 1.00 1.00 C ATOM 674 NH1 ARG A 41 12.078 15.763 -5.177 1.00 1.00 N ATOM 675 NH2 ARG A 41 10.902 17.712 -5.658 1.00 1.00 N ATOM 0 H ARG A 41 8.192 11.778 -0.702 1.00 1.00 H new ATOM 0 HA ARG A 41 7.497 13.842 -2.450 1.00 1.00 H new ATOM 0 HB2 ARG A 41 9.617 13.781 -1.223 1.00 1.00 H new ATOM 0 HB3 ARG A 41 10.117 12.342 -2.088 1.00 1.00 H new ATOM 0 HG2 ARG A 41 10.887 13.581 -3.827 1.00 1.00 H new ATOM 0 HG3 ARG A 41 9.333 14.367 -4.017 1.00 1.00 H new ATOM 0 HD2 ARG A 41 10.230 15.662 -1.772 1.00 1.00 H new ATOM 0 HD3 ARG A 41 11.765 15.301 -2.538 1.00 1.00 H new ATOM 0 HE ARG A 41 9.785 17.242 -3.447 1.00 1.00 H new ATOM 0 HH11 ARG A 41 12.264 14.977 -4.554 1.00 1.00 H new ATOM 0 HH12 ARG A 41 12.594 15.853 -6.052 1.00 1.00 H new ATOM 0 HH21 ARG A 41 10.198 18.403 -5.399 1.00 1.00 H new ATOM 0 HH22 ARG A 41 11.414 17.809 -6.535 1.00 1.00 H new ATOM 689 N GLU A 42 8.190 10.894 -3.829 1.00 1.00 N ATOM 690 CA GLU A 42 8.120 10.118 -5.055 1.00 1.00 C ATOM 691 C GLU A 42 6.683 10.132 -5.581 1.00 1.00 C ATOM 692 O GLU A 42 6.502 10.303 -6.795 1.00 1.00 O ATOM 693 CB GLU A 42 8.611 8.684 -4.841 1.00 1.00 C ATOM 694 CG GLU A 42 8.603 7.900 -6.155 1.00 1.00 C ATOM 695 CD GLU A 42 9.970 7.270 -6.426 1.00 1.00 C ATOM 696 OE1 GLU A 42 10.986 7.741 -5.895 1.00 1.00 O ATOM 697 OE2 GLU A 42 9.954 6.253 -7.220 1.00 1.00 O ATOM 0 H GLU A 42 8.423 10.347 -3.000 1.00 1.00 H new ATOM 0 HA GLU A 42 8.779 10.573 -5.795 1.00 1.00 H new ATOM 0 HB2 GLU A 42 9.620 8.699 -4.428 1.00 1.00 H new ATOM 0 HB3 GLU A 42 7.975 8.183 -4.111 1.00 1.00 H new ATOM 0 HG2 GLU A 42 7.842 7.121 -6.113 1.00 1.00 H new ATOM 0 HG3 GLU A 42 8.335 8.564 -6.977 1.00 1.00 H new ATOM 704 N LYS A 43 5.707 9.956 -4.672 1.00 1.00 N ATOM 705 CA LYS A 43 4.302 9.948 -5.043 1.00 1.00 C ATOM 706 C LYS A 43 3.862 11.373 -5.385 1.00 1.00 C ATOM 707 O LYS A 43 3.320 11.575 -6.482 1.00 1.00 O ATOM 708 CB LYS A 43 3.462 9.292 -3.945 1.00 1.00 C ATOM 709 CG LYS A 43 2.811 8.003 -4.449 1.00 1.00 C ATOM 710 CD LYS A 43 1.576 7.651 -3.618 1.00 1.00 C ATOM 711 CE LYS A 43 0.687 6.648 -4.356 1.00 1.00 C ATOM 712 NZ LYS A 43 -0.540 7.303 -4.837 1.00 1.00 N ATOM 0 H LYS A 43 5.878 9.818 -3.676 1.00 1.00 H new ATOM 0 HA LYS A 43 4.147 9.343 -5.936 1.00 1.00 H new ATOM 0 HB2 LYS A 43 4.092 9.073 -3.083 1.00 1.00 H new ATOM 0 HB3 LYS A 43 2.691 9.985 -3.609 1.00 1.00 H new ATOM 0 HG2 LYS A 43 2.529 8.119 -5.495 1.00 1.00 H new ATOM 0 HG3 LYS A 43 3.530 7.186 -4.402 1.00 1.00 H new ATOM 0 HD2 LYS A 43 1.885 7.233 -2.660 1.00 1.00 H new ATOM 0 HD3 LYS A 43 1.008 8.556 -3.402 1.00 1.00 H new ATOM 0 HE2 LYS A 43 1.232 6.221 -5.198 1.00 1.00 H new ATOM 0 HE3 LYS A 43 0.429 5.823 -3.691 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -1.132 6.608 -5.335 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -1.067 7.690 -4.028 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -0.289 8.075 -5.488 1.00 1.00 H new ATOM 726 N PHE A 44 4.100 12.317 -4.457 1.00 1.00 N ATOM 727 CA PHE A 44 3.731 13.707 -4.660 1.00 1.00 C ATOM 728 C PHE A 44 4.920 14.603 -4.307 1.00 1.00 C ATOM 729 O PHE A 44 5.062 14.958 -3.128 1.00 1.00 O ATOM 730 CB PHE A 44 2.513 14.043 -3.778 1.00 1.00 C ATOM 731 CG PHE A 44 1.662 15.200 -4.284 1.00 1.00 C ATOM 732 CD1 PHE A 44 1.188 15.208 -5.617 1.00 1.00 C ATOM 733 CD2 PHE A 44 1.346 16.276 -3.424 1.00 1.00 C ATOM 734 CE1 PHE A 44 0.403 16.284 -6.084 1.00 1.00 C ATOM 735 CE2 PHE A 44 0.561 17.352 -3.892 1.00 1.00 C ATOM 736 CZ PHE A 44 0.089 17.356 -5.221 1.00 1.00 C ATOM 0 H PHE A 44 4.548 12.130 -3.560 1.00 1.00 H new ATOM 0 HA PHE A 44 3.465 13.877 -5.703 1.00 1.00 H new ATOM 0 HB2 PHE A 44 1.885 13.156 -3.696 1.00 1.00 H new ATOM 0 HB3 PHE A 44 2.863 14.279 -2.773 1.00 1.00 H new ATOM 0 HD1 PHE A 44 1.427 14.389 -6.279 1.00 1.00 H new ATOM 0 HD2 PHE A 44 1.706 16.275 -2.406 1.00 1.00 H new ATOM 0 HE1 PHE A 44 0.042 16.287 -7.102 1.00 1.00 H new ATOM 0 HE2 PHE A 44 0.322 18.173 -3.232 1.00 1.00 H new ATOM 0 HZ PHE A 44 -0.512 18.179 -5.578 1.00 1.00 H new ATOM 746 N PRO A 45 5.738 14.945 -5.319 1.00 1.00 N ATOM 747 CA PRO A 45 6.910 15.788 -5.154 1.00 1.00 C ATOM 748 C PRO A 45 6.510 17.253 -4.975 1.00 1.00 C ATOM 749 O PRO A 45 7.408 18.101 -4.870 1.00 1.00 O ATOM 750 CB PRO A 45 7.745 15.548 -6.401 1.00 1.00 C ATOM 751 CG PRO A 45 6.800 14.943 -7.426 1.00 1.00 C ATOM 752 CD PRO A 45 5.540 14.507 -6.698 1.00 1.00 C ATOM 0 HA PRO A 45 7.480 15.546 -4.257 1.00 1.00 H new ATOM 0 HB2 PRO A 45 8.175 16.480 -6.768 1.00 1.00 H new ATOM 0 HB3 PRO A 45 8.576 14.875 -6.191 1.00 1.00 H new ATOM 0 HG2 PRO A 45 6.560 15.671 -8.201 1.00 1.00 H new ATOM 0 HG3 PRO A 45 7.268 14.093 -7.922 1.00 1.00 H new ATOM 0 HD2 PRO A 45 4.652 14.964 -7.135 1.00 1.00 H new ATOM 0 HD3 PRO A 45 5.404 13.427 -6.755 1.00 1.00 H new ATOM 760 N ALA A 46 5.191 17.518 -4.944 1.00 1.00 N ATOM 761 CA ALA A 46 4.681 18.869 -4.778 1.00 1.00 C ATOM 762 C ALA A 46 4.609 19.204 -3.287 1.00 1.00 C ATOM 763 O ALA A 46 3.793 20.059 -2.913 1.00 1.00 O ATOM 764 CB ALA A 46 3.246 18.945 -5.305 1.00 1.00 C ATOM 0 H ALA A 46 4.467 16.805 -5.033 1.00 1.00 H new ATOM 0 HA ALA A 46 5.338 19.554 -5.313 1.00 1.00 H new ATOM 0 HB1 ALA A 46 2.866 19.959 -5.180 1.00 1.00 H new ATOM 0 HB2 ALA A 46 3.232 18.680 -6.362 1.00 1.00 H new ATOM 0 HB3 ALA A 46 2.617 18.250 -4.749 1.00 1.00 H new ATOM 770 N TRP A 47 5.451 18.534 -2.479 1.00 1.00 N ATOM 771 CA TRP A 47 5.482 18.760 -1.044 1.00 1.00 C ATOM 772 C TRP A 47 6.058 20.149 -0.763 1.00 1.00 C ATOM 773 O TRP A 47 5.672 20.754 0.248 1.00 1.00 O ATOM 774 CB TRP A 47 6.257 17.639 -0.348 1.00 1.00 C ATOM 775 CG TRP A 47 5.418 16.394 -0.052 1.00 1.00 C ATOM 776 CD1 TRP A 47 5.525 15.177 -0.603 1.00 1.00 C ATOM 777 CD2 TRP A 47 4.334 16.293 0.895 1.00 1.00 C ATOM 778 NE1 TRP A 47 4.593 14.303 -0.083 1.00 1.00 N ATOM 779 CE2 TRP A 47 3.845 15.003 0.857 1.00 1.00 C ATOM 780 CE3 TRP A 47 3.784 17.260 1.755 1.00 1.00 C ATOM 781 CZ2 TRP A 47 2.784 14.561 1.656 1.00 1.00 C ATOM 782 CZ3 TRP A 47 2.724 16.802 2.547 1.00 1.00 C ATOM 783 CH2 TRP A 47 2.220 15.507 2.521 1.00 1.00 C ATOM 0 H TRP A 47 6.115 17.833 -2.807 1.00 1.00 H new ATOM 0 HA TRP A 47 4.472 18.737 -0.635 1.00 1.00 H new ATOM 0 HB2 TRP A 47 7.104 17.354 -0.973 1.00 1.00 H new ATOM 0 HB3 TRP A 47 6.666 18.020 0.588 1.00 1.00 H new ATOM 0 HD1 TRP A 47 6.250 14.914 -1.359 1.00 1.00 H new ATOM 0 HE1 TRP A 47 4.474 13.323 -0.341 1.00 1.00 H new ATOM 0 HE3 TRP A 47 4.150 18.275 1.801 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 2.420 13.545 1.608 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 2.265 17.505 3.226 1.00 1.00 H new ATOM 0 HH2 TRP A 47 1.398 15.232 3.165 1.00 1.00 H new ATOM 794 N GLN A 48 6.956 20.619 -1.647 1.00 1.00 N ATOM 795 CA GLN A 48 7.577 21.924 -1.495 1.00 1.00 C ATOM 796 C GLN A 48 6.536 23.013 -1.757 1.00 1.00 C ATOM 797 O GLN A 48 6.446 23.950 -0.949 1.00 1.00 O ATOM 798 CB GLN A 48 8.783 22.084 -2.422 1.00 1.00 C ATOM 799 CG GLN A 48 9.478 23.427 -2.191 1.00 1.00 C ATOM 800 CD GLN A 48 10.915 23.398 -2.716 1.00 1.00 C ATOM 801 OE1 GLN A 48 11.871 23.241 -1.974 1.00 1.00 O ATOM 802 NE2 GLN A 48 11.014 23.559 -4.032 1.00 1.00 N ATOM 0 H GLN A 48 7.261 20.104 -2.473 1.00 1.00 H new ATOM 0 HA GLN A 48 7.947 22.018 -0.474 1.00 1.00 H new ATOM 0 HB2 GLN A 48 9.489 21.271 -2.250 1.00 1.00 H new ATOM 0 HB3 GLN A 48 8.460 22.012 -3.461 1.00 1.00 H new ATOM 0 HG2 GLN A 48 8.921 24.220 -2.690 1.00 1.00 H new ATOM 0 HG3 GLN A 48 9.481 23.661 -1.126 1.00 1.00 H new ATOM 0 HE21 GLN A 48 10.173 23.686 -4.595 1.00 1.00 H new ATOM 0 HE22 GLN A 48 11.931 23.556 -4.479 1.00 1.00 H new ATOM 811 N ASN A 49 5.782 22.873 -2.862 1.00 1.00 N ATOM 812 CA ASN A 49 4.758 23.839 -3.223 1.00 1.00 C ATOM 813 C ASN A 49 3.530 23.631 -2.334 1.00 1.00 C ATOM 814 O ASN A 49 3.082 24.604 -1.710 1.00 1.00 O ATOM 815 CB ASN A 49 4.323 23.661 -4.679 1.00 1.00 C ATOM 816 CG ASN A 49 3.402 24.801 -5.119 1.00 1.00 C ATOM 817 OD1 ASN A 49 3.827 25.920 -5.354 1.00 1.00 O ATOM 818 ND2 ASN A 49 2.122 24.455 -5.218 1.00 1.00 N ATOM 0 H ASN A 49 5.872 22.094 -3.515 1.00 1.00 H new ATOM 0 HA ASN A 49 5.174 24.838 -3.090 1.00 1.00 H new ATOM 0 HB2 ASN A 49 5.201 23.629 -5.323 1.00 1.00 H new ATOM 0 HB3 ASN A 49 3.808 22.707 -4.795 1.00 1.00 H new ATOM 0 HD21 ASN A 49 1.428 25.145 -5.506 1.00 1.00 H new ATOM 0 HD22 ASN A 49 1.834 23.500 -5.006 1.00 1.00 H new ATOM 825 N SER A 50 3.019 22.387 -2.294 1.00 1.00 N ATOM 826 CA SER A 50 1.856 22.058 -1.488 1.00 1.00 C ATOM 827 C SER A 50 2.039 22.626 -0.079 1.00 1.00 C ATOM 828 O SER A 50 1.135 23.329 0.396 1.00 1.00 O ATOM 829 CB SER A 50 1.626 20.547 -1.426 1.00 1.00 C ATOM 830 OG SER A 50 2.638 19.884 -0.672 1.00 1.00 O ATOM 0 H SER A 50 3.403 21.599 -2.816 1.00 1.00 H new ATOM 0 HA SER A 50 0.976 22.504 -1.953 1.00 1.00 H new ATOM 0 HB2 SER A 50 0.652 20.346 -0.980 1.00 1.00 H new ATOM 0 HB3 SER A 50 1.603 20.142 -2.438 1.00 1.00 H new ATOM 0 HG SER A 50 2.223 19.233 -0.068 1.00 1.00 H new ATOM 836 N ILE A 51 3.186 22.316 0.550 1.00 1.00 N ATOM 837 CA ILE A 51 3.482 22.791 1.891 1.00 1.00 C ATOM 838 C ILE A 51 3.650 24.312 1.862 1.00 1.00 C ATOM 839 O ILE A 51 3.168 24.976 2.792 1.00 1.00 O ATOM 840 CB ILE A 51 4.689 22.050 2.468 1.00 1.00 C ATOM 841 CG1 ILE A 51 4.453 20.539 2.475 1.00 1.00 C ATOM 842 CG2 ILE A 51 5.045 22.581 3.859 1.00 1.00 C ATOM 843 CD1 ILE A 51 3.507 20.137 3.608 1.00 1.00 C ATOM 0 H ILE A 51 3.918 21.736 0.140 1.00 1.00 H new ATOM 0 HA ILE A 51 2.653 22.574 2.564 1.00 1.00 H new ATOM 0 HB ILE A 51 5.546 22.239 1.822 1.00 1.00 H new ATOM 0 HG12 ILE A 51 4.033 20.229 1.518 1.00 1.00 H new ATOM 0 HG13 ILE A 51 5.404 20.019 2.589 1.00 1.00 H new ATOM 0 HG21 ILE A 51 5.906 22.037 4.247 1.00 1.00 H new ATOM 0 HG22 ILE A 51 5.285 23.642 3.793 1.00 1.00 H new ATOM 0 HG23 ILE A 51 4.197 22.442 4.529 1.00 1.00 H new ATOM 0 HD11 ILE A 51 3.356 19.058 3.590 1.00 1.00 H new ATOM 0 HD12 ILE A 51 3.941 20.427 4.565 1.00 1.00 H new ATOM 0 HD13 ILE A 51 2.549 20.639 3.477 1.00 1.00 H new ATOM 855 N ARG A 52 4.319 24.824 0.814 1.00 1.00 N ATOM 856 CA ARG A 52 4.546 26.252 0.669 1.00 1.00 C ATOM 857 C ARG A 52 3.233 27.000 0.911 1.00 1.00 C ATOM 858 O ARG A 52 3.270 28.065 1.545 1.00 1.00 O ATOM 859 CB ARG A 52 5.074 26.600 -0.725 1.00 1.00 C ATOM 860 CG ARG A 52 6.428 27.306 -0.637 1.00 1.00 C ATOM 861 CD ARG A 52 7.361 26.843 -1.758 1.00 1.00 C ATOM 862 NE ARG A 52 6.833 27.280 -3.069 1.00 1.00 N ATOM 863 CZ ARG A 52 6.950 28.536 -3.552 1.00 1.00 C ATOM 864 NH1 ARG A 52 7.580 29.460 -2.813 1.00 1.00 N ATOM 865 NH2 ARG A 52 6.444 28.854 -4.751 1.00 1.00 N ATOM 0 H ARG A 52 4.708 24.259 0.059 1.00 1.00 H new ATOM 0 HA ARG A 52 5.296 26.551 1.401 1.00 1.00 H new ATOM 0 HB2 ARG A 52 5.172 25.691 -1.318 1.00 1.00 H new ATOM 0 HB3 ARG A 52 4.358 27.241 -1.239 1.00 1.00 H new ATOM 0 HG2 ARG A 52 6.285 28.385 -0.700 1.00 1.00 H new ATOM 0 HG3 ARG A 52 6.887 27.102 0.331 1.00 1.00 H new ATOM 0 HD2 ARG A 52 8.359 27.253 -1.604 1.00 1.00 H new ATOM 0 HD3 ARG A 52 7.456 25.757 -1.738 1.00 1.00 H new ATOM 0 HE ARG A 52 6.350 26.590 -3.644 1.00 1.00 H new ATOM 0 HH11 ARG A 52 7.962 29.210 -1.901 1.00 1.00 H new ATOM 0 HH12 ARG A 52 7.677 30.413 -3.163 1.00 1.00 H new ATOM 0 HH21 ARG A 52 5.966 28.145 -5.307 1.00 1.00 H new ATOM 0 HH22 ARG A 52 6.537 29.805 -5.108 1.00 1.00 H new ATOM 879 N HIS A 53 2.119 26.439 0.409 1.00 1.00 N ATOM 880 CA HIS A 53 0.810 27.049 0.570 1.00 1.00 C ATOM 881 C HIS A 53 0.255 26.699 1.952 1.00 1.00 C ATOM 882 O HIS A 53 -0.058 27.626 2.713 1.00 1.00 O ATOM 883 CB HIS A 53 -0.129 26.639 -0.567 1.00 1.00 C ATOM 884 CG HIS A 53 -1.200 25.659 -0.155 1.00 1.00 C ATOM 885 ND1 HIS A 53 -1.104 24.299 -0.394 1.00 1.00 N ATOM 886 CD2 HIS A 53 -2.390 25.854 0.483 1.00 1.00 C ATOM 887 CE1 HIS A 53 -2.193 23.712 0.081 1.00 1.00 C ATOM 888 NE2 HIS A 53 -2.989 24.678 0.624 1.00 1.00 N ATOM 0 H HIS A 53 2.111 25.562 -0.111 1.00 1.00 H new ATOM 0 HA HIS A 53 0.899 28.134 0.511 1.00 1.00 H new ATOM 0 HB2 HIS A 53 -0.605 27.532 -0.972 1.00 1.00 H new ATOM 0 HB3 HIS A 53 0.461 26.200 -1.371 1.00 1.00 H new ATOM 0 HD1 HIS A 53 -0.327 23.828 -0.857 1.00 1.00 H new ATOM 0 HD2 HIS A 53 -2.779 26.805 0.817 1.00 1.00 H new ATOM 0 HE1 HIS A 53 -2.412 22.655 0.045 1.00 1.00 H new ATOM 896 N ASN A 54 0.147 25.391 2.244 1.00 1.00 N ATOM 897 CA ASN A 54 -0.365 24.927 3.522 1.00 1.00 C ATOM 898 C ASN A 54 0.418 25.595 4.653 1.00 1.00 C ATOM 899 O ASN A 54 -0.207 26.002 5.644 1.00 1.00 O ATOM 900 CB ASN A 54 -0.201 23.412 3.664 1.00 1.00 C ATOM 901 CG ASN A 54 -1.171 22.851 4.706 1.00 1.00 C ATOM 902 OD1 ASN A 54 -0.876 23.190 5.957 1.00 1.00 O flip ATOM 903 ND2 ASN A 54 -2.125 22.157 4.394 1.00 1.00 N flip ATOM 0 H ASN A 54 0.411 24.643 1.602 1.00 1.00 H new ATOM 0 HA ASN A 54 -1.424 25.182 3.574 1.00 1.00 H new ATOM 0 HB2 ASN A 54 -0.378 22.932 2.702 1.00 1.00 H new ATOM 0 HB3 ASN A 54 0.824 23.179 3.953 1.00 1.00 H new ATOM 0 HD21 ASN A 54 -2.294 21.934 3.413 1.00 1.00 H new ATOM 0 HD22 ASN A 54 -2.753 21.800 5.114 1.00 1.00 H new ATOM 910 N LEU A 55 1.749 25.694 4.487 1.00 1.00 N ATOM 911 CA LEU A 55 2.607 26.308 5.487 1.00 1.00 C ATOM 912 C LEU A 55 2.075 27.702 5.822 1.00 1.00 C ATOM 913 O LEU A 55 1.926 28.006 7.015 1.00 1.00 O ATOM 914 CB LEU A 55 4.064 26.301 5.020 1.00 1.00 C ATOM 915 CG LEU A 55 5.111 26.638 6.084 1.00 1.00 C ATOM 916 CD1 LEU A 55 5.241 25.503 7.102 1.00 1.00 C ATOM 917 CD2 LEU A 55 6.454 26.987 5.440 1.00 1.00 C ATOM 0 H LEU A 55 2.244 25.352 3.663 1.00 1.00 H new ATOM 0 HA LEU A 55 2.590 25.730 6.411 1.00 1.00 H new ATOM 0 HB2 LEU A 55 4.290 25.314 4.616 1.00 1.00 H new ATOM 0 HB3 LEU A 55 4.166 27.012 4.201 1.00 1.00 H new ATOM 0 HG LEU A 55 4.775 27.522 6.627 1.00 1.00 H new ATOM 0 HD11 LEU A 55 5.991 25.767 7.847 1.00 1.00 H new ATOM 0 HD12 LEU A 55 4.281 25.344 7.594 1.00 1.00 H new ATOM 0 HD13 LEU A 55 5.543 24.589 6.591 1.00 1.00 H new ATOM 0 HD21 LEU A 55 7.180 27.222 6.218 1.00 1.00 H new ATOM 0 HD22 LEU A 55 6.809 26.138 4.857 1.00 1.00 H new ATOM 0 HD23 LEU A 55 6.330 27.850 4.786 1.00 1.00 H new ATOM 929 N SER A 56 1.803 28.510 4.782 1.00 1.00 N ATOM 930 CA SER A 56 1.293 29.858 4.965 1.00 1.00 C ATOM 931 C SER A 56 -0.221 29.801 5.174 1.00 1.00 C ATOM 932 O SER A 56 -0.779 30.768 5.715 1.00 1.00 O ATOM 933 CB SER A 56 1.631 30.752 3.771 1.00 1.00 C ATOM 934 OG SER A 56 0.646 31.761 3.564 1.00 1.00 O ATOM 0 H SER A 56 1.932 28.241 3.807 1.00 1.00 H new ATOM 0 HA SER A 56 1.770 30.292 5.844 1.00 1.00 H new ATOM 0 HB2 SER A 56 2.602 31.221 3.932 1.00 1.00 H new ATOM 0 HB3 SER A 56 1.718 30.140 2.873 1.00 1.00 H new ATOM 0 HG SER A 56 0.899 32.312 2.794 1.00 1.00 H new ATOM 940 N LEU A 57 -0.847 28.689 4.749 1.00 1.00 N ATOM 941 CA LEU A 57 -2.282 28.511 4.889 1.00 1.00 C ATOM 942 C LEU A 57 -2.591 27.966 6.285 1.00 1.00 C ATOM 943 O LEU A 57 -3.778 27.850 6.624 1.00 1.00 O ATOM 944 CB LEU A 57 -2.828 27.642 3.755 1.00 1.00 C ATOM 945 CG LEU A 57 -4.293 27.872 3.378 1.00 1.00 C ATOM 946 CD1 LEU A 57 -4.424 28.998 2.352 1.00 1.00 C ATOM 947 CD2 LEU A 57 -4.944 26.575 2.893 1.00 1.00 C ATOM 0 H LEU A 57 -0.369 27.904 4.306 1.00 1.00 H new ATOM 0 HA LEU A 57 -2.794 29.469 4.800 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -2.215 27.809 2.869 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -2.706 26.596 4.035 1.00 1.00 H new ATOM 0 HG LEU A 57 -4.831 28.187 4.272 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -5.475 29.141 2.101 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -4.022 29.921 2.771 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -3.868 28.736 1.451 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -5.985 26.766 2.631 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -4.411 26.206 2.016 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -4.900 25.828 3.685 1.00 1.00 H new ATOM 959 N ASN A 58 -1.534 27.649 7.054 1.00 1.00 N ATOM 960 CA ASN A 58 -1.691 27.122 8.399 1.00 1.00 C ATOM 961 C ASN A 58 -1.554 28.263 9.409 1.00 1.00 C ATOM 962 O ASN A 58 -2.577 28.677 9.974 1.00 1.00 O ATOM 963 CB ASN A 58 -0.615 26.081 8.712 1.00 1.00 C ATOM 964 CG ASN A 58 -1.164 24.979 9.621 1.00 1.00 C ATOM 965 OD1 ASN A 58 -2.164 24.285 9.086 1.00 1.00 O flip ATOM 966 ND2 ASN A 58 -0.710 24.774 10.735 1.00 1.00 N flip ATOM 0 H ASN A 58 -0.564 27.753 6.756 1.00 1.00 H new ATOM 0 HA ASN A 58 -2.674 26.655 8.465 1.00 1.00 H new ATOM 0 HB2 ASN A 58 -0.248 25.642 7.784 1.00 1.00 H new ATOM 0 HB3 ASN A 58 0.235 26.565 9.194 1.00 1.00 H new ATOM 0 HD21 ASN A 58 0.059 25.345 11.085 1.00 1.00 H new ATOM 0 HD22 ASN A 58 -1.100 24.032 11.316 1.00 1.00 H new ATOM 973 N ASP A 59 -0.313 28.741 9.612 1.00 1.00 N ATOM 974 CA ASP A 59 -0.048 29.823 10.545 1.00 1.00 C ATOM 975 C ASP A 59 -0.298 31.162 9.849 1.00 1.00 C ATOM 976 O ASP A 59 -0.849 32.067 10.493 1.00 1.00 O ATOM 977 CB ASP A 59 1.407 29.799 11.016 1.00 1.00 C ATOM 978 CG ASP A 59 1.914 28.433 11.483 1.00 1.00 C ATOM 979 OD1 ASP A 59 2.198 27.544 10.667 1.00 1.00 O ATOM 980 OD2 ASP A 59 2.014 28.297 12.762 1.00 1.00 O ATOM 0 H ASP A 59 0.516 28.386 9.136 1.00 1.00 H new ATOM 0 HA ASP A 59 -0.707 29.698 11.404 1.00 1.00 H new ATOM 0 HB2 ASP A 59 2.042 30.146 10.201 1.00 1.00 H new ATOM 0 HB3 ASP A 59 1.520 30.511 11.834 1.00 1.00 H new ATOM 985 N CYS A 60 0.105 31.261 8.570 1.00 1.00 N ATOM 986 CA CYS A 60 -0.075 32.479 7.798 1.00 1.00 C ATOM 987 C CYS A 60 0.993 33.497 8.203 1.00 1.00 C ATOM 988 O CYS A 60 0.680 34.695 8.243 1.00 1.00 O ATOM 989 CB CYS A 60 -1.489 33.037 7.968 1.00 1.00 C ATOM 990 SG CYS A 60 -2.647 32.599 6.638 1.00 1.00 S ATOM 0 H CYS A 60 0.558 30.504 8.058 1.00 1.00 H new ATOM 0 HA CYS A 60 0.045 32.255 6.738 1.00 1.00 H new ATOM 0 HB2 CYS A 60 -1.894 32.680 8.915 1.00 1.00 H new ATOM 0 HB3 CYS A 60 -1.430 34.123 8.036 1.00 1.00 H new ATOM 0 HG CYS A 60 -2.164 31.606 5.951 1.00 1.00 H new ATOM 996 N PHE A 61 2.213 33.008 8.491 1.00 1.00 N ATOM 997 CA PHE A 61 3.313 33.869 8.889 1.00 1.00 C ATOM 998 C PHE A 61 3.700 34.770 7.714 1.00 1.00 C ATOM 999 O PHE A 61 3.021 34.713 6.678 1.00 1.00 O ATOM 1000 CB PHE A 61 4.507 32.998 9.326 1.00 1.00 C ATOM 1001 CG PHE A 61 4.335 31.508 9.064 1.00 1.00 C ATOM 1002 CD1 PHE A 61 4.165 31.028 7.745 1.00 1.00 C ATOM 1003 CD2 PHE A 61 4.338 30.594 10.144 1.00 1.00 C ATOM 1004 CE1 PHE A 61 4.002 29.647 7.507 1.00 1.00 C ATOM 1005 CE2 PHE A 61 4.174 29.213 9.905 1.00 1.00 C ATOM 1006 CZ PHE A 61 4.007 28.739 8.587 1.00 1.00 C ATOM 0 H PHE A 61 2.450 32.017 8.452 1.00 1.00 H new ATOM 0 HA PHE A 61 3.014 34.498 9.727 1.00 1.00 H new ATOM 0 HB2 PHE A 61 5.401 33.344 8.807 1.00 1.00 H new ATOM 0 HB3 PHE A 61 4.679 33.149 10.392 1.00 1.00 H new ATOM 0 HD1 PHE A 61 4.160 31.721 6.917 1.00 1.00 H new ATOM 0 HD2 PHE A 61 4.466 30.954 11.154 1.00 1.00 H new ATOM 0 HE1 PHE A 61 3.873 29.285 6.498 1.00 1.00 H new ATOM 0 HE2 PHE A 61 4.176 28.518 10.732 1.00 1.00 H new ATOM 0 HZ PHE A 61 3.883 27.682 8.405 1.00 1.00 H new ATOM 1016 N VAL A 62 4.765 35.572 7.895 1.00 1.00 N ATOM 1017 CA VAL A 62 5.235 36.474 6.858 1.00 1.00 C ATOM 1018 C VAL A 62 6.516 35.912 6.240 1.00 1.00 C ATOM 1019 O VAL A 62 7.487 35.705 6.983 1.00 1.00 O ATOM 1020 CB VAL A 62 5.415 37.881 7.431 1.00 1.00 C ATOM 1021 CG1 VAL A 62 4.061 38.538 7.709 1.00 1.00 C ATOM 1022 CG2 VAL A 62 6.279 37.852 8.694 1.00 1.00 C ATOM 0 H VAL A 62 5.310 35.605 8.757 1.00 1.00 H new ATOM 0 HA VAL A 62 4.498 36.554 6.059 1.00 1.00 H new ATOM 0 HB VAL A 62 5.932 38.483 6.684 1.00 1.00 H new ATOM 0 HG11 VAL A 62 4.218 39.537 8.116 1.00 1.00 H new ATOM 0 HG12 VAL A 62 3.494 38.609 6.781 1.00 1.00 H new ATOM 0 HG13 VAL A 62 3.506 37.937 8.429 1.00 1.00 H new ATOM 0 HG21 VAL A 62 6.391 38.865 9.081 1.00 1.00 H new ATOM 0 HG22 VAL A 62 5.801 37.226 9.448 1.00 1.00 H new ATOM 0 HG23 VAL A 62 7.261 37.444 8.454 1.00 1.00 H new ATOM 1032 N LYS A 63 6.494 35.679 4.916 1.00 1.00 N ATOM 1033 CA LYS A 63 7.646 35.146 4.208 1.00 1.00 C ATOM 1034 C LYS A 63 8.315 36.268 3.412 1.00 1.00 C ATOM 1035 O LYS A 63 7.594 37.125 2.881 1.00 1.00 O ATOM 1036 CB LYS A 63 7.240 33.943 3.354 1.00 1.00 C ATOM 1037 CG LYS A 63 6.260 34.357 2.255 1.00 1.00 C ATOM 1038 CD LYS A 63 6.073 33.232 1.235 1.00 1.00 C ATOM 1039 CE LYS A 63 4.657 33.248 0.656 1.00 1.00 C ATOM 1040 NZ LYS A 63 4.672 33.743 -0.730 1.00 1.00 N ATOM 0 H LYS A 63 5.683 35.856 4.323 1.00 1.00 H new ATOM 0 HA LYS A 63 8.387 34.771 4.914 1.00 1.00 H new ATOM 0 HB2 LYS A 63 8.127 33.495 2.906 1.00 1.00 H new ATOM 0 HB3 LYS A 63 6.783 33.182 3.986 1.00 1.00 H new ATOM 0 HG2 LYS A 63 5.298 34.614 2.699 1.00 1.00 H new ATOM 0 HG3 LYS A 63 6.628 35.251 1.752 1.00 1.00 H new ATOM 0 HD2 LYS A 63 6.800 33.341 0.430 1.00 1.00 H new ATOM 0 HD3 LYS A 63 6.265 32.270 1.710 1.00 1.00 H new ATOM 0 HE2 LYS A 63 4.235 32.244 0.685 1.00 1.00 H new ATOM 0 HE3 LYS A 63 4.015 33.882 1.268 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 3.703 33.747 -1.108 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 5.055 34.710 -0.749 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 5.268 33.122 -1.314 1.00 1.00 H new ATOM 1054 N ILE A 64 9.658 36.242 3.347 1.00 1.00 N ATOM 1055 CA ILE A 64 10.414 37.249 2.622 1.00 1.00 C ATOM 1056 C ILE A 64 10.907 36.658 1.300 1.00 1.00 C ATOM 1057 O ILE A 64 11.860 35.866 1.328 1.00 1.00 O ATOM 1058 CB ILE A 64 11.533 37.813 3.499 1.00 1.00 C ATOM 1059 CG1 ILE A 64 12.179 36.710 4.340 1.00 1.00 C ATOM 1060 CG2 ILE A 64 11.024 38.968 4.363 1.00 1.00 C ATOM 1061 CD1 ILE A 64 13.448 37.217 5.028 1.00 1.00 C ATOM 0 H ILE A 64 10.233 35.527 3.793 1.00 1.00 H new ATOM 0 HA ILE A 64 9.777 38.098 2.373 1.00 1.00 H new ATOM 0 HB ILE A 64 12.307 38.216 2.847 1.00 1.00 H new ATOM 0 HG12 ILE A 64 11.471 36.357 5.090 1.00 1.00 H new ATOM 0 HG13 ILE A 64 12.421 35.858 3.705 1.00 1.00 H new ATOM 0 HG21 ILE A 64 11.840 39.350 4.977 1.00 1.00 H new ATOM 0 HG22 ILE A 64 10.649 39.765 3.721 1.00 1.00 H new ATOM 0 HG23 ILE A 64 10.220 38.613 5.008 1.00 1.00 H new ATOM 0 HD11 ILE A 64 13.887 36.413 5.619 1.00 1.00 H new ATOM 0 HD12 ILE A 64 14.164 37.546 4.275 1.00 1.00 H new ATOM 0 HD13 ILE A 64 13.198 38.053 5.681 1.00 1.00 H new ATOM 1073 N PRO A 65 10.260 37.048 0.187 1.00 1.00 N ATOM 1074 CA PRO A 65 10.603 36.581 -1.145 1.00 1.00 C ATOM 1075 C PRO A 65 11.883 37.251 -1.648 1.00 1.00 C ATOM 1076 O PRO A 65 12.263 37.005 -2.803 1.00 1.00 O ATOM 1077 CB PRO A 65 9.388 36.903 -2.000 1.00 1.00 C ATOM 1078 CG PRO A 65 8.601 37.951 -1.228 1.00 1.00 C ATOM 1079 CD PRO A 65 9.139 37.984 0.193 1.00 1.00 C ATOM 0 HA PRO A 65 10.821 35.513 -1.173 1.00 1.00 H new ATOM 0 HB2 PRO A 65 9.687 37.281 -2.978 1.00 1.00 H new ATOM 0 HB3 PRO A 65 8.785 36.012 -2.174 1.00 1.00 H new ATOM 0 HG2 PRO A 65 8.704 38.929 -1.698 1.00 1.00 H new ATOM 0 HG3 PRO A 65 7.539 37.708 -1.228 1.00 1.00 H new ATOM 0 HD2 PRO A 65 9.462 38.987 0.471 1.00 1.00 H new ATOM 0 HD3 PRO A 65 8.377 37.684 0.912 1.00 1.00 H new ATOM 1087 N ARG A 66 12.511 38.071 -0.788 1.00 1.00 N ATOM 1088 CA ARG A 66 13.736 38.768 -1.143 1.00 1.00 C ATOM 1089 C ARG A 66 14.052 39.813 -0.071 1.00 1.00 C ATOM 1090 O ARG A 66 13.590 40.956 -0.207 1.00 1.00 O ATOM 1091 CB ARG A 66 13.616 39.461 -2.502 1.00 1.00 C ATOM 1092 CG ARG A 66 14.997 39.777 -3.080 1.00 1.00 C ATOM 1093 CD ARG A 66 14.908 40.077 -4.578 1.00 1.00 C ATOM 1094 NE ARG A 66 16.223 40.533 -5.081 1.00 1.00 N ATOM 1095 CZ ARG A 66 16.475 40.840 -6.371 1.00 1.00 C ATOM 1096 NH1 ARG A 66 15.486 40.732 -7.269 1.00 1.00 N ATOM 1097 NH2 ARG A 66 17.695 41.247 -6.748 1.00 1.00 N ATOM 0 H ARG A 66 12.181 38.261 0.158 1.00 1.00 H new ATOM 0 HA ARG A 66 14.537 38.032 -1.207 1.00 1.00 H new ATOM 0 HB2 ARG A 66 13.066 38.822 -3.193 1.00 1.00 H new ATOM 0 HB3 ARG A 66 13.043 40.382 -2.395 1.00 1.00 H new ATOM 0 HG2 ARG A 66 15.426 40.633 -2.559 1.00 1.00 H new ATOM 0 HG3 ARG A 66 15.667 38.933 -2.913 1.00 1.00 H new ATOM 0 HD2 ARG A 66 14.592 39.184 -5.118 1.00 1.00 H new ATOM 0 HD3 ARG A 66 14.154 40.843 -4.760 1.00 1.00 H new ATOM 0 HE ARG A 66 16.987 40.621 -4.411 1.00 1.00 H new ATOM 0 HH11 ARG A 66 14.560 40.422 -6.973 1.00 1.00 H new ATOM 0 HH12 ARG A 66 15.659 40.960 -8.248 1.00 1.00 H new ATOM 0 HH21 ARG A 66 18.442 41.327 -6.058 1.00 1.00 H new ATOM 0 HH22 ARG A 66 17.877 41.477 -7.725 1.00 1.00 H new ATOM 1111 N GLU A 67 14.821 39.410 0.956 1.00 1.00 N ATOM 1112 CA GLU A 67 15.193 40.305 2.038 1.00 1.00 C ATOM 1113 C GLU A 67 16.214 41.323 1.524 1.00 1.00 C ATOM 1114 O GLU A 67 17.028 40.958 0.663 1.00 1.00 O ATOM 1115 CB GLU A 67 15.745 39.535 3.240 1.00 1.00 C ATOM 1116 CG GLU A 67 15.162 40.073 4.549 1.00 1.00 C ATOM 1117 CD GLU A 67 16.244 40.749 5.393 1.00 1.00 C ATOM 1118 OE1 GLU A 67 17.405 40.311 5.380 1.00 1.00 O ATOM 1119 OE2 GLU A 67 15.844 41.764 6.080 1.00 1.00 O ATOM 0 H GLU A 67 15.192 38.465 1.049 1.00 1.00 H new ATOM 0 HA GLU A 67 14.301 40.830 2.379 1.00 1.00 H new ATOM 0 HB2 GLU A 67 15.506 38.476 3.139 1.00 1.00 H new ATOM 0 HB3 GLU A 67 16.832 39.616 3.261 1.00 1.00 H new ATOM 0 HG2 GLU A 67 14.367 40.786 4.331 1.00 1.00 H new ATOM 0 HG3 GLU A 67 14.712 39.256 5.114 1.00 1.00 H new ATOM 1126 N PRO A 68 16.151 42.558 2.052 1.00 1.00 N ATOM 1127 CA PRO A 68 17.045 43.639 1.673 1.00 1.00 C ATOM 1128 C PRO A 68 18.433 43.442 2.286 1.00 1.00 C ATOM 1129 O PRO A 68 19.299 44.303 2.073 1.00 1.00 O ATOM 1130 CB PRO A 68 16.357 44.906 2.155 1.00 1.00 C ATOM 1131 CG PRO A 68 15.338 44.459 3.190 1.00 1.00 C ATOM 1132 CD PRO A 68 15.176 42.953 3.065 1.00 1.00 C ATOM 0 HA PRO A 68 17.221 43.682 0.598 1.00 1.00 H new ATOM 0 HB2 PRO A 68 17.076 45.600 2.590 1.00 1.00 H new ATOM 0 HB3 PRO A 68 15.872 45.426 1.329 1.00 1.00 H new ATOM 0 HG2 PRO A 68 15.671 44.725 4.193 1.00 1.00 H new ATOM 0 HG3 PRO A 68 14.384 44.960 3.027 1.00 1.00 H new ATOM 0 HD2 PRO A 68 15.368 42.454 4.015 1.00 1.00 H new ATOM 0 HD3 PRO A 68 14.163 42.687 2.764 1.00 1.00 H new ATOM 1140 N GLY A 69 18.614 42.331 3.022 1.00 1.00 N ATOM 1141 CA GLY A 69 19.885 42.027 3.658 1.00 1.00 C ATOM 1142 C GLY A 69 19.970 40.522 3.924 1.00 1.00 C ATOM 1143 O GLY A 69 20.050 40.136 5.099 1.00 1.00 O ATOM 0 H GLY A 69 17.887 41.634 3.185 1.00 1.00 H new ATOM 0 HA2 GLY A 69 20.709 42.342 3.018 1.00 1.00 H new ATOM 0 HA3 GLY A 69 19.978 42.579 4.593 1.00 1.00 H new ATOM 1147 N ASN A 70 19.950 39.718 2.847 1.00 1.00 N ATOM 1148 CA ASN A 70 20.025 38.271 2.965 1.00 1.00 C ATOM 1149 C ASN A 70 21.043 37.734 1.957 1.00 1.00 C ATOM 1150 O ASN A 70 21.303 38.420 0.958 1.00 1.00 O ATOM 1151 CB ASN A 70 18.672 37.624 2.661 1.00 1.00 C ATOM 1152 CG ASN A 70 18.211 37.958 1.241 1.00 1.00 C ATOM 1153 OD1 ASN A 70 18.768 38.805 0.563 1.00 1.00 O ATOM 1154 ND2 ASN A 70 17.164 37.248 0.831 1.00 1.00 N ATOM 0 H ASN A 70 19.882 40.057 1.887 1.00 1.00 H new ATOM 0 HA ASN A 70 20.319 38.030 3.986 1.00 1.00 H new ATOM 0 HB2 ASN A 70 18.747 36.543 2.778 1.00 1.00 H new ATOM 0 HB3 ASN A 70 17.929 37.971 3.379 1.00 1.00 H new ATOM 0 HD21 ASN A 70 16.780 37.398 -0.102 1.00 1.00 H new ATOM 0 HD22 ASN A 70 16.745 36.554 1.450 1.00 1.00 H new ATOM 1161 N PRO A 71 21.590 36.537 2.235 1.00 1.00 N ATOM 1162 CA PRO A 71 22.572 35.887 1.383 1.00 1.00 C ATOM 1163 C PRO A 71 21.911 35.301 0.134 1.00 1.00 C ATOM 1164 O PRO A 71 22.591 35.193 -0.897 1.00 1.00 O ATOM 1165 CB PRO A 71 23.218 34.830 2.264 1.00 1.00 C ATOM 1166 CG PRO A 71 22.262 34.613 3.426 1.00 1.00 C ATOM 1167 CD PRO A 71 21.260 35.756 3.424 1.00 1.00 C ATOM 0 HA PRO A 71 23.321 36.580 1.000 1.00 1.00 H new ATOM 0 HB2 PRO A 71 23.376 33.904 1.711 1.00 1.00 H new ATOM 0 HB3 PRO A 71 24.194 35.161 2.618 1.00 1.00 H new ATOM 0 HG2 PRO A 71 21.750 33.656 3.326 1.00 1.00 H new ATOM 0 HG3 PRO A 71 22.808 34.585 4.369 1.00 1.00 H new ATOM 0 HD2 PRO A 71 20.236 35.385 3.382 1.00 1.00 H new ATOM 0 HD3 PRO A 71 21.344 36.358 4.329 1.00 1.00 H new ATOM 1175 N GLY A 72 20.620 34.940 0.248 1.00 1.00 N ATOM 1176 CA GLY A 72 19.878 34.372 -0.864 1.00 1.00 C ATOM 1177 C GLY A 72 19.989 32.847 -0.819 1.00 1.00 C ATOM 1178 O GLY A 72 20.524 32.266 -1.775 1.00 1.00 O ATOM 0 H GLY A 72 20.078 35.037 1.107 1.00 1.00 H new ATOM 0 HA2 GLY A 72 18.832 34.674 -0.810 1.00 1.00 H new ATOM 0 HA3 GLY A 72 20.270 34.749 -1.808 1.00 1.00 H new ATOM 1182 N LYS A 73 19.491 32.238 0.272 1.00 1.00 N ATOM 1183 CA LYS A 73 19.534 30.795 0.437 1.00 1.00 C ATOM 1184 C LYS A 73 18.125 30.276 0.726 1.00 1.00 C ATOM 1185 O LYS A 73 17.643 29.423 -0.033 1.00 1.00 O ATOM 1186 CB LYS A 73 20.563 30.408 1.501 1.00 1.00 C ATOM 1187 CG LYS A 73 20.994 28.949 1.343 1.00 1.00 C ATOM 1188 CD LYS A 73 20.485 28.097 2.508 1.00 1.00 C ATOM 1189 CE LYS A 73 21.052 26.678 2.438 1.00 1.00 C ATOM 1190 NZ LYS A 73 22.485 26.678 2.775 1.00 1.00 N ATOM 0 H LYS A 73 19.055 32.735 1.049 1.00 1.00 H new ATOM 0 HA LYS A 73 19.867 30.316 -0.484 1.00 1.00 H new ATOM 0 HB2 LYS A 73 21.434 31.059 1.423 1.00 1.00 H new ATOM 0 HB3 LYS A 73 20.139 30.560 2.494 1.00 1.00 H new ATOM 0 HG2 LYS A 73 20.610 28.553 0.403 1.00 1.00 H new ATOM 0 HG3 LYS A 73 22.081 28.891 1.293 1.00 1.00 H new ATOM 0 HD2 LYS A 73 20.769 28.560 3.453 1.00 1.00 H new ATOM 0 HD3 LYS A 73 19.396 28.059 2.487 1.00 1.00 H new ATOM 0 HE2 LYS A 73 20.510 26.029 3.127 1.00 1.00 H new ATOM 0 HE3 LYS A 73 20.908 26.271 1.437 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 22.799 25.703 2.955 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 23.028 27.076 1.982 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 22.641 27.255 3.626 1.00 1.00 H new ATOM 1204 N GLY A 74 17.502 30.793 1.801 1.00 1.00 N ATOM 1205 CA GLY A 74 16.161 30.384 2.184 1.00 1.00 C ATOM 1206 C GLY A 74 15.300 31.628 2.414 1.00 1.00 C ATOM 1207 O GLY A 74 15.286 32.506 1.539 1.00 1.00 O ATOM 0 H GLY A 74 17.917 31.495 2.413 1.00 1.00 H new ATOM 0 HA2 GLY A 74 15.721 29.762 1.404 1.00 1.00 H new ATOM 0 HA3 GLY A 74 16.197 29.780 3.091 1.00 1.00 H new ATOM 1211 N ASN A 75 14.611 31.677 3.569 1.00 1.00 N ATOM 1212 CA ASN A 75 13.757 32.803 3.908 1.00 1.00 C ATOM 1213 C ASN A 75 13.618 32.893 5.429 1.00 1.00 C ATOM 1214 O ASN A 75 14.179 32.033 6.124 1.00 1.00 O ATOM 1215 CB ASN A 75 12.357 32.631 3.314 1.00 1.00 C ATOM 1216 CG ASN A 75 12.408 32.611 1.785 1.00 1.00 C ATOM 1217 OD1 ASN A 75 12.947 33.499 1.145 1.00 1.00 O ATOM 1218 ND2 ASN A 75 11.819 31.552 1.238 1.00 1.00 N ATOM 0 H ASN A 75 14.637 30.943 4.277 1.00 1.00 H new ATOM 0 HA ASN A 75 14.213 33.706 3.502 1.00 1.00 H new ATOM 0 HB2 ASN A 75 11.915 31.704 3.679 1.00 1.00 H new ATOM 0 HB3 ASN A 75 11.714 33.444 3.649 1.00 1.00 H new ATOM 0 HD21 ASN A 75 11.800 31.446 0.224 1.00 1.00 H new ATOM 0 HD22 ASN A 75 11.386 30.845 1.833 1.00 1.00 H new ATOM 1225 N TYR A 76 12.886 33.914 5.907 1.00 1.00 N ATOM 1226 CA TYR A 76 12.719 34.058 7.344 1.00 1.00 C ATOM 1227 C TYR A 76 11.232 34.215 7.667 1.00 1.00 C ATOM 1228 O TYR A 76 10.809 35.352 7.921 1.00 1.00 O ATOM 1229 CB TYR A 76 13.547 35.251 7.856 1.00 1.00 C ATOM 1230 CG TYR A 76 15.037 35.162 7.556 1.00 1.00 C ATOM 1231 CD1 TYR A 76 15.479 34.953 6.229 1.00 1.00 C ATOM 1232 CD2 TYR A 76 15.986 35.292 8.596 1.00 1.00 C ATOM 1233 CE1 TYR A 76 16.859 34.873 5.945 1.00 1.00 C ATOM 1234 CE2 TYR A 76 17.365 35.212 8.312 1.00 1.00 C ATOM 1235 CZ TYR A 76 17.804 35.001 6.986 1.00 1.00 C ATOM 1236 OH TYR A 76 19.138 34.922 6.707 1.00 1.00 O ATOM 0 H TYR A 76 12.421 34.621 5.337 1.00 1.00 H new ATOM 0 HA TYR A 76 13.085 33.167 7.853 1.00 1.00 H new ATOM 0 HB2 TYR A 76 13.154 36.166 7.413 1.00 1.00 H new ATOM 0 HB3 TYR A 76 13.411 35.335 8.934 1.00 1.00 H new ATOM 0 HD1 TYR A 76 14.758 34.854 5.431 1.00 1.00 H new ATOM 0 HD2 TYR A 76 15.654 35.453 9.611 1.00 1.00 H new ATOM 0 HE1 TYR A 76 17.193 34.714 4.930 1.00 1.00 H new ATOM 0 HE2 TYR A 76 18.086 35.312 9.109 1.00 1.00 H new ATOM 0 HH TYR A 76 19.652 35.032 7.534 1.00 1.00 H new ATOM 1246 N TRP A 77 10.481 33.099 7.644 1.00 1.00 N ATOM 1247 CA TRP A 77 9.056 33.125 7.924 1.00 1.00 C ATOM 1248 C TRP A 77 8.839 33.341 9.423 1.00 1.00 C ATOM 1249 O TRP A 77 9.408 32.577 10.217 1.00 1.00 O ATOM 1250 CB TRP A 77 8.390 31.851 7.402 1.00 1.00 C ATOM 1251 CG TRP A 77 8.554 31.635 5.896 1.00 1.00 C ATOM 1252 CD1 TRP A 77 9.601 31.961 5.125 1.00 1.00 C ATOM 1253 CD2 TRP A 77 7.595 31.029 5.004 1.00 1.00 C ATOM 1254 NE1 TRP A 77 9.387 31.611 3.808 1.00 1.00 N ATOM 1255 CE2 TRP A 77 8.128 31.026 3.732 1.00 1.00 C ATOM 1256 CE3 TRP A 77 6.318 30.501 5.265 1.00 1.00 C ATOM 1257 CZ2 TRP A 77 7.455 30.507 2.619 1.00 1.00 C ATOM 1258 CZ3 TRP A 77 5.658 29.986 4.142 1.00 1.00 C ATOM 1259 CH2 TRP A 77 6.182 29.975 2.855 1.00 1.00 C ATOM 0 H TRP A 77 10.850 32.172 7.433 1.00 1.00 H new ATOM 0 HA TRP A 77 8.583 33.957 7.402 1.00 1.00 H new ATOM 0 HB2 TRP A 77 8.807 30.993 7.929 1.00 1.00 H new ATOM 0 HB3 TRP A 77 7.327 31.885 7.640 1.00 1.00 H new ATOM 0 HD1 TRP A 77 10.499 32.438 5.489 1.00 1.00 H new ATOM 0 HE1 TRP A 77 10.034 31.755 3.032 1.00 1.00 H new ATOM 0 HE3 TRP A 77 5.881 30.493 6.253 1.00 1.00 H new ATOM 0 HZ2 TRP A 77 7.894 30.517 1.632 1.00 1.00 H new ATOM 0 HZ3 TRP A 77 4.673 29.568 4.287 1.00 1.00 H new ATOM 0 HH2 TRP A 77 5.609 29.558 2.040 1.00 1.00 H new ATOM 1270 N THR A 78 8.035 34.361 9.775 1.00 1.00 N ATOM 1271 CA THR A 78 7.749 34.671 11.165 1.00 1.00 C ATOM 1272 C THR A 78 6.239 34.595 11.400 1.00 1.00 C ATOM 1273 O THR A 78 5.483 35.054 10.531 1.00 1.00 O ATOM 1274 CB THR A 78 8.346 36.041 11.493 1.00 1.00 C ATOM 1275 OG1 THR A 78 7.711 36.926 10.575 1.00 1.00 O ATOM 1276 CG2 THR A 78 9.831 36.133 11.134 1.00 1.00 C ATOM 0 H THR A 78 7.577 34.979 9.105 1.00 1.00 H new ATOM 0 HA THR A 78 8.207 33.947 11.839 1.00 1.00 H new ATOM 0 HB THR A 78 8.216 36.249 12.555 1.00 1.00 H new ATOM 0 HG1 THR A 78 7.269 37.648 11.069 1.00 1.00 H new ATOM 0 HG21 THR A 78 10.206 37.125 11.387 1.00 1.00 H new ATOM 0 HG22 THR A 78 10.388 35.381 11.694 1.00 1.00 H new ATOM 0 HG23 THR A 78 9.959 35.958 10.066 1.00 1.00 H new ATOM 1284 N LEU A 79 5.836 34.026 12.550 1.00 1.00 N ATOM 1285 CA LEU A 79 4.430 33.893 12.892 1.00 1.00 C ATOM 1286 C LEU A 79 3.839 35.280 13.153 1.00 1.00 C ATOM 1287 O LEU A 79 4.459 36.054 13.897 1.00 1.00 O ATOM 1288 CB LEU A 79 4.252 32.919 14.058 1.00 1.00 C ATOM 1289 CG LEU A 79 3.418 31.670 13.768 1.00 1.00 C ATOM 1290 CD1 LEU A 79 4.294 30.415 13.757 1.00 1.00 C ATOM 1291 CD2 LEU A 79 2.253 31.547 14.753 1.00 1.00 C ATOM 0 H LEU A 79 6.475 33.654 13.252 1.00 1.00 H new ATOM 0 HA LEU A 79 3.875 33.462 12.059 1.00 1.00 H new ATOM 0 HB2 LEU A 79 5.239 32.602 14.395 1.00 1.00 H new ATOM 0 HB3 LEU A 79 3.790 33.456 14.886 1.00 1.00 H new ATOM 0 HG LEU A 79 2.988 31.771 12.772 1.00 1.00 H new ATOM 0 HD11 LEU A 79 3.676 29.542 13.549 1.00 1.00 H new ATOM 0 HD12 LEU A 79 5.058 30.511 12.986 1.00 1.00 H new ATOM 0 HD13 LEU A 79 4.773 30.297 14.729 1.00 1.00 H new ATOM 0 HD21 LEU A 79 1.676 30.651 14.524 1.00 1.00 H new ATOM 0 HD22 LEU A 79 2.641 31.479 15.769 1.00 1.00 H new ATOM 0 HD23 LEU A 79 1.610 32.423 14.668 1.00 1.00 H new ATOM 1303 N ASP A 80 2.672 35.561 12.547 1.00 1.00 N ATOM 1304 CA ASP A 80 2.007 36.843 12.713 1.00 1.00 C ATOM 1305 C ASP A 80 0.606 36.615 13.284 1.00 1.00 C ATOM 1306 O ASP A 80 -0.331 36.439 12.492 1.00 1.00 O ATOM 1307 CB ASP A 80 1.860 37.565 11.373 1.00 1.00 C ATOM 1308 CG ASP A 80 1.831 39.092 11.461 1.00 1.00 C ATOM 1309 OD1 ASP A 80 1.914 39.670 12.555 1.00 1.00 O ATOM 1310 OD2 ASP A 80 1.714 39.702 10.330 1.00 1.00 O ATOM 0 H ASP A 80 2.178 34.908 11.939 1.00 1.00 H new ATOM 0 HA ASP A 80 2.611 37.452 13.386 1.00 1.00 H new ATOM 0 HB2 ASP A 80 2.685 37.269 10.725 1.00 1.00 H new ATOM 0 HB3 ASP A 80 0.942 37.226 10.894 1.00 1.00 H new ATOM 1315 N PRO A 81 0.493 36.622 14.624 1.00 1.00 N ATOM 1316 CA PRO A 81 -0.764 36.422 15.324 1.00 1.00 C ATOM 1317 C PRO A 81 -1.645 37.670 15.238 1.00 1.00 C ATOM 1318 O PRO A 81 -2.860 37.522 15.046 1.00 1.00 O ATOM 1319 CB PRO A 81 -0.369 36.071 16.750 1.00 1.00 C ATOM 1320 CG PRO A 81 1.068 36.541 16.912 1.00 1.00 C ATOM 1321 CD PRO A 81 1.622 36.833 15.526 1.00 1.00 C ATOM 0 HA PRO A 81 -1.368 35.628 14.885 1.00 1.00 H new ATOM 0 HB2 PRO A 81 -1.024 36.563 17.469 1.00 1.00 H new ATOM 0 HB3 PRO A 81 -0.451 34.998 16.925 1.00 1.00 H new ATOM 0 HG2 PRO A 81 1.110 37.434 17.536 1.00 1.00 H new ATOM 0 HG3 PRO A 81 1.666 35.777 17.409 1.00 1.00 H new ATOM 0 HD2 PRO A 81 1.999 37.853 15.457 1.00 1.00 H new ATOM 0 HD3 PRO A 81 2.452 36.170 15.283 1.00 1.00 H new ATOM 1329 N GLN A 82 -1.025 38.855 15.379 1.00 1.00 N ATOM 1330 CA GLN A 82 -1.748 40.114 15.317 1.00 1.00 C ATOM 1331 C GLN A 82 -2.529 40.185 14.003 1.00 1.00 C ATOM 1332 O GLN A 82 -3.553 40.883 13.962 1.00 1.00 O ATOM 1333 CB GLN A 82 -0.805 41.311 15.459 1.00 1.00 C ATOM 1334 CG GLN A 82 0.217 41.342 14.321 1.00 1.00 C ATOM 1335 CD GLN A 82 1.581 41.822 14.822 1.00 1.00 C ATOM 1336 OE1 GLN A 82 2.037 42.910 14.513 1.00 1.00 O ATOM 1337 NE2 GLN A 82 2.205 40.951 15.610 1.00 1.00 N ATOM 0 H GLN A 82 -0.022 38.955 15.537 1.00 1.00 H new ATOM 0 HA GLN A 82 -2.446 40.158 16.153 1.00 1.00 H new ATOM 0 HB2 GLN A 82 -1.383 42.235 15.459 1.00 1.00 H new ATOM 0 HB3 GLN A 82 -0.287 41.259 16.417 1.00 1.00 H new ATOM 0 HG2 GLN A 82 0.314 40.347 13.888 1.00 1.00 H new ATOM 0 HG3 GLN A 82 -0.136 42.002 13.528 1.00 1.00 H new ATOM 0 HE21 GLN A 82 1.767 40.057 15.829 1.00 1.00 H new ATOM 0 HE22 GLN A 82 3.122 41.178 15.995 1.00 1.00 H new ATOM 1346 N SER A 83 -2.039 39.473 12.972 1.00 1.00 N ATOM 1347 CA SER A 83 -2.687 39.455 11.672 1.00 1.00 C ATOM 1348 C SER A 83 -4.080 38.837 11.809 1.00 1.00 C ATOM 1349 O SER A 83 -5.042 39.431 11.299 1.00 1.00 O ATOM 1350 CB SER A 83 -1.861 38.678 10.645 1.00 1.00 C ATOM 1351 OG SER A 83 -1.415 39.511 9.578 1.00 1.00 O ATOM 0 H SER A 83 -1.194 38.905 13.026 1.00 1.00 H new ATOM 0 HA SER A 83 -2.773 40.481 11.315 1.00 1.00 H new ATOM 0 HB2 SER A 83 -0.999 38.228 11.138 1.00 1.00 H new ATOM 0 HB3 SER A 83 -2.460 37.861 10.241 1.00 1.00 H new ATOM 0 HG SER A 83 -0.455 39.683 9.676 1.00 1.00 H new ATOM 1357 N GLU A 84 -4.161 37.677 12.484 1.00 1.00 N ATOM 1358 CA GLU A 84 -5.425 36.988 12.685 1.00 1.00 C ATOM 1359 C GLU A 84 -5.747 36.948 14.180 1.00 1.00 C ATOM 1360 O GLU A 84 -6.376 35.975 14.622 1.00 1.00 O ATOM 1361 CB GLU A 84 -5.397 35.578 12.092 1.00 1.00 C ATOM 1362 CG GLU A 84 -5.903 35.580 10.648 1.00 1.00 C ATOM 1363 CD GLU A 84 -4.736 35.562 9.658 1.00 1.00 C ATOM 1364 OE1 GLU A 84 -3.603 35.903 10.029 1.00 1.00 O ATOM 1365 OE2 GLU A 84 -5.039 35.175 8.466 1.00 1.00 O ATOM 0 H GLU A 84 -3.357 37.204 12.897 1.00 1.00 H new ATOM 0 HA GLU A 84 -6.209 37.536 12.163 1.00 1.00 H new ATOM 0 HB2 GLU A 84 -4.380 35.186 12.124 1.00 1.00 H new ATOM 0 HB3 GLU A 84 -6.014 34.913 12.696 1.00 1.00 H new ATOM 0 HG2 GLU A 84 -6.540 34.711 10.481 1.00 1.00 H new ATOM 0 HG3 GLU A 84 -6.517 36.464 10.475 1.00 1.00 H new ATOM 1372 N ASP A 85 -5.317 37.988 14.917 1.00 1.00 N ATOM 1373 CA ASP A 85 -5.558 38.070 16.348 1.00 1.00 C ATOM 1374 C ASP A 85 -6.975 38.591 16.592 1.00 1.00 C ATOM 1375 O ASP A 85 -7.679 38.014 17.434 1.00 1.00 O ATOM 1376 CB ASP A 85 -4.577 39.035 17.017 1.00 1.00 C ATOM 1377 CG ASP A 85 -4.797 39.243 18.517 1.00 1.00 C ATOM 1378 OD1 ASP A 85 -5.763 40.043 18.820 1.00 1.00 O ATOM 1379 OD2 ASP A 85 -4.082 38.671 19.353 1.00 1.00 O ATOM 0 H ASP A 85 -4.801 38.780 14.533 1.00 1.00 H new ATOM 0 HA ASP A 85 -5.428 37.074 16.770 1.00 1.00 H new ATOM 0 HB2 ASP A 85 -3.564 38.665 16.861 1.00 1.00 H new ATOM 0 HB3 ASP A 85 -4.644 40.002 16.518 1.00 1.00 H new ATOM 1384 N MET A 86 -7.360 39.654 15.864 1.00 1.00 N ATOM 1385 CA MET A 86 -8.680 40.245 16.001 1.00 1.00 C ATOM 1386 C MET A 86 -9.695 39.400 15.229 1.00 1.00 C ATOM 1387 O MET A 86 -10.483 38.691 15.871 1.00 1.00 O ATOM 1388 CB MET A 86 -8.684 41.674 15.455 1.00 1.00 C ATOM 1389 CG MET A 86 -7.589 42.515 16.113 1.00 1.00 C ATOM 1390 SD MET A 86 -7.705 42.383 17.922 1.00 1.00 S ATOM 1391 CE MET A 86 -5.994 42.789 18.378 1.00 1.00 C ATOM 0 H MET A 86 -6.765 40.115 15.175 1.00 1.00 H new ATOM 0 HA MET A 86 -8.948 40.273 17.057 1.00 1.00 H new ATOM 0 HB2 MET A 86 -8.534 41.655 14.376 1.00 1.00 H new ATOM 0 HB3 MET A 86 -9.657 42.133 15.634 1.00 1.00 H new ATOM 0 HG2 MET A 86 -6.609 42.177 15.778 1.00 1.00 H new ATOM 0 HG3 MET A 86 -7.688 43.557 15.809 1.00 1.00 H new ATOM 0 HE1 MET A 86 -5.794 42.436 19.390 1.00 1.00 H new ATOM 0 HE2 MET A 86 -5.308 42.306 17.683 1.00 1.00 H new ATOM 0 HE3 MET A 86 -5.853 43.869 18.335 1.00 1.00 H new ATOM 1401 N PHE A 87 -9.657 39.491 13.887 1.00 1.00 N ATOM 1402 CA PHE A 87 -10.567 38.741 13.038 1.00 1.00 C ATOM 1403 C PHE A 87 -11.984 38.836 13.607 1.00 1.00 C ATOM 1404 O PHE A 87 -12.632 37.790 13.757 1.00 1.00 O ATOM 1405 CB PHE A 87 -10.103 37.272 12.971 1.00 1.00 C ATOM 1406 CG PHE A 87 -10.422 36.565 11.660 1.00 1.00 C ATOM 1407 CD1 PHE A 87 -11.734 36.596 11.132 1.00 1.00 C ATOM 1408 CD2 PHE A 87 -9.406 35.868 10.966 1.00 1.00 C ATOM 1409 CE1 PHE A 87 -12.026 35.936 9.920 1.00 1.00 C ATOM 1410 CE2 PHE A 87 -9.700 35.209 9.753 1.00 1.00 C ATOM 1411 CZ PHE A 87 -11.009 35.243 9.230 1.00 1.00 C ATOM 0 H PHE A 87 -9.000 40.081 13.377 1.00 1.00 H new ATOM 0 HA PHE A 87 -10.568 39.155 12.030 1.00 1.00 H new ATOM 0 HB2 PHE A 87 -9.026 37.237 13.135 1.00 1.00 H new ATOM 0 HB3 PHE A 87 -10.568 36.720 13.788 1.00 1.00 H new ATOM 0 HD1 PHE A 87 -12.514 37.126 11.658 1.00 1.00 H new ATOM 0 HD2 PHE A 87 -8.403 35.840 11.365 1.00 1.00 H new ATOM 0 HE1 PHE A 87 -13.029 35.961 9.520 1.00 1.00 H new ATOM 0 HE2 PHE A 87 -8.922 34.678 9.225 1.00 1.00 H new ATOM 0 HZ PHE A 87 -11.233 34.739 8.302 1.00 1.00 H new ATOM 1421 N ASP A 88 -12.431 40.069 13.907 1.00 1.00 N ATOM 1422 CA ASP A 88 -13.758 40.296 14.453 1.00 1.00 C ATOM 1423 C ASP A 88 -13.901 41.770 14.839 1.00 1.00 C ATOM 1424 O ASP A 88 -14.675 42.480 14.180 1.00 1.00 O ATOM 1425 CB ASP A 88 -13.988 39.454 15.709 1.00 1.00 C ATOM 1426 CG ASP A 88 -15.191 39.872 16.556 1.00 1.00 C ATOM 1427 OD1 ASP A 88 -16.337 39.490 16.103 1.00 1.00 O ATOM 1428 OD2 ASP A 88 -15.042 40.529 17.598 1.00 1.00 O ATOM 0 H ASP A 88 -11.882 40.918 13.776 1.00 1.00 H new ATOM 0 HA ASP A 88 -14.488 40.017 13.693 1.00 1.00 H new ATOM 0 HB2 ASP A 88 -14.116 38.413 15.412 1.00 1.00 H new ATOM 0 HB3 ASP A 88 -13.092 39.501 16.329 1.00 1.00 H new ATOM 1433 N ASN A 89 -13.164 42.194 15.882 1.00 1.00 N ATOM 1434 CA ASN A 89 -13.209 43.569 16.348 1.00 1.00 C ATOM 1435 C ASN A 89 -12.526 44.474 15.320 1.00 1.00 C ATOM 1436 O ASN A 89 -12.956 45.628 15.173 1.00 1.00 O ATOM 1437 CB ASN A 89 -12.470 43.724 17.679 1.00 1.00 C ATOM 1438 CG ASN A 89 -11.120 43.004 17.643 1.00 1.00 C ATOM 1439 OD1 ASN A 89 -10.117 43.534 17.194 1.00 1.00 O ATOM 1440 ND2 ASN A 89 -11.151 41.771 18.139 1.00 1.00 N ATOM 0 H ASN A 89 -12.532 41.593 16.411 1.00 1.00 H new ATOM 0 HA ASN A 89 -14.255 43.846 16.482 1.00 1.00 H new ATOM 0 HB2 ASN A 89 -12.317 44.782 17.893 1.00 1.00 H new ATOM 0 HB3 ASN A 89 -13.080 43.320 18.487 1.00 1.00 H new ATOM 0 HD21 ASN A 89 -10.301 41.208 18.160 1.00 1.00 H new ATOM 0 HD22 ASN A 89 -12.025 41.388 18.499 1.00 1.00 H new ATOM 1447 N GLY A 90 -11.495 43.942 14.641 1.00 1.00 N ATOM 1448 CA GLY A 90 -10.763 44.696 13.638 1.00 1.00 C ATOM 1449 C GLY A 90 -11.729 45.150 12.541 1.00 1.00 C ATOM 1450 O GLY A 90 -11.682 46.330 12.165 1.00 1.00 O ATOM 0 H GLY A 90 -11.158 42.989 14.777 1.00 1.00 H new ATOM 0 HA2 GLY A 90 -10.282 45.561 14.096 1.00 1.00 H new ATOM 0 HA3 GLY A 90 -9.972 44.081 13.210 1.00 1.00 H new ATOM 1454 N SER A 91 -12.571 44.219 12.058 1.00 1.00 N ATOM 1455 CA SER A 91 -13.537 44.521 11.016 1.00 1.00 C ATOM 1456 C SER A 91 -14.416 45.690 11.464 1.00 1.00 C ATOM 1457 O SER A 91 -14.619 46.616 10.665 1.00 1.00 O ATOM 1458 CB SER A 91 -14.402 43.304 10.684 1.00 1.00 C ATOM 1459 OG SER A 91 -14.078 42.749 9.412 1.00 1.00 O ATOM 0 H SER A 91 -12.593 43.252 12.381 1.00 1.00 H new ATOM 0 HA SER A 91 -12.995 44.794 10.111 1.00 1.00 H new ATOM 0 HB2 SER A 91 -14.270 42.545 11.455 1.00 1.00 H new ATOM 0 HB3 SER A 91 -15.453 43.592 10.697 1.00 1.00 H new ATOM 0 HG SER A 91 -14.651 41.973 9.238 1.00 1.00 H new ATOM 1465 N PHE A 92 -14.911 45.627 12.713 1.00 1.00 N ATOM 1466 CA PHE A 92 -15.759 46.673 13.259 1.00 1.00 C ATOM 1467 C PHE A 92 -14.976 47.987 13.303 1.00 1.00 C ATOM 1468 O PHE A 92 -15.462 48.982 12.744 1.00 1.00 O ATOM 1469 CB PHE A 92 -16.223 46.265 14.671 1.00 1.00 C ATOM 1470 CG PHE A 92 -17.720 46.020 14.801 1.00 1.00 C ATOM 1471 CD1 PHE A 92 -18.629 47.103 14.755 1.00 1.00 C ATOM 1472 CD2 PHE A 92 -18.210 44.705 14.976 1.00 1.00 C ATOM 1473 CE1 PHE A 92 -20.015 46.871 14.880 1.00 1.00 C ATOM 1474 CE2 PHE A 92 -19.596 44.474 15.102 1.00 1.00 C ATOM 1475 CZ PHE A 92 -20.499 45.557 15.053 1.00 1.00 C ATOM 0 H PHE A 92 -14.731 44.856 13.356 1.00 1.00 H new ATOM 0 HA PHE A 92 -16.638 46.812 12.629 1.00 1.00 H new ATOM 0 HB2 PHE A 92 -15.693 45.359 14.965 1.00 1.00 H new ATOM 0 HB3 PHE A 92 -15.934 47.046 15.374 1.00 1.00 H new ATOM 0 HD1 PHE A 92 -18.261 48.110 14.624 1.00 1.00 H new ATOM 0 HD2 PHE A 92 -17.521 43.875 15.013 1.00 1.00 H new ATOM 0 HE1 PHE A 92 -20.706 47.700 14.843 1.00 1.00 H new ATOM 0 HE2 PHE A 92 -19.966 43.468 15.236 1.00 1.00 H new ATOM 0 HZ PHE A 92 -21.560 45.380 15.148 1.00 1.00 H new ATOM 1485 N LEU A 93 -13.800 47.966 13.955 1.00 1.00 N ATOM 1486 CA LEU A 93 -12.961 49.147 14.069 1.00 1.00 C ATOM 1487 C LEU A 93 -13.781 50.294 14.663 1.00 1.00 C ATOM 1488 O LEU A 93 -13.457 51.462 14.456 1.00 1.00 O ATOM 1489 CB LEU A 93 -12.322 49.482 12.720 1.00 1.00 C ATOM 1490 CG LEU A 93 -10.981 50.215 12.776 1.00 1.00 C ATOM 1491 CD1 LEU A 93 -9.881 49.305 13.327 1.00 1.00 C ATOM 1492 CD2 LEU A 93 -10.614 50.795 11.409 1.00 1.00 C ATOM 0 H LEU A 93 -13.418 47.136 14.408 1.00 1.00 H new ATOM 0 HA LEU A 93 -12.131 48.961 14.751 1.00 1.00 H new ATOM 0 HB2 LEU A 93 -12.183 48.554 12.166 1.00 1.00 H new ATOM 0 HB3 LEU A 93 -13.023 50.092 12.150 1.00 1.00 H new ATOM 0 HG LEU A 93 -11.080 51.054 13.465 1.00 1.00 H new ATOM 0 HD11 LEU A 93 -8.938 49.851 13.356 1.00 1.00 H new ATOM 0 HD12 LEU A 93 -10.145 48.983 14.334 1.00 1.00 H new ATOM 0 HD13 LEU A 93 -9.775 48.432 12.683 1.00 1.00 H new ATOM 0 HD21 LEU A 93 -9.656 51.311 11.478 1.00 1.00 H new ATOM 0 HD22 LEU A 93 -10.540 49.988 10.679 1.00 1.00 H new ATOM 0 HD23 LEU A 93 -11.384 51.500 11.094 1.00 1.00 H new TER 1504 LEU A 93