USER MOD reduce.3.24.130724 H: found=0, std=0, add=1102, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1097 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 3 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 114 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Set 2.1: A 75 MET CE :methyl -125:sc= 0 (180deg=-0.237) USER MOD Set 2.2: A 95 MET CE :methyl -166:sc= -0.0481 (180deg=-0.305) USER MOD Set 3.1: A 32 SER OG : rot 142:sc= 1.08 USER MOD Set 3.2: A 40 TYR OH : rot 167:sc= 1.23 USER MOD Set 3.3: A 42 GLN : amide:sc= 0.515 K(o=3.7,f=-1.4) USER MOD Set 3.4: A 126 ASN : amide:sc= 0.921 K(o=3.7,f=1.5) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 82:sc= 1.07 USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.555 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot 15:sc= -0.673 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0194 X(o=-0.019,f=-0.019) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0407 X(o=-0.041,f=-0.17) USER MOD Single : A 48 HIS : no HD1:sc= -0.0048 X(o=-0.0048,f=-0.0048) USER MOD Single : A 53 GLN : amide:sc= 0.292 K(o=0.29,f=-6.1!) USER MOD Single : A 58 TYR OH : rot -15:sc= -0.204 USER MOD Single : A 59 CYS SG : rot -54:sc= 0.044 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 99:sc= 0.723 USER MOD Single : A 70 LYS NZ :NH3+ -162:sc= 0.0354 (180deg=0.00736) USER MOD Single : A 72 HIS : no HE2:sc= -0.453 K(o=-0.45,f=-2.5!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl -166:sc= -0.0067 (180deg=-0.249) USER MOD Single : A 99 ASN : amide:sc= -0.636 K(o=-0.64,f=-0.078) USER MOD Single : A 102 ASN : amide:sc= -1.22 K(o=-1.2,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -0.411 X(o=-0.41,f=0) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 HIS : no HE2:sc= 0.611 K(o=0.61,f=-3.5!) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 0.516 0.276 0.438 1.00 0.00 N ATOM 2 CA GLY A -1 0.019 -0.221 -0.870 1.00 0.00 C ATOM 3 C GLY A -1 -0.417 0.926 -1.770 1.00 0.00 C ATOM 4 O GLY A -1 -1.394 1.603 -1.455 1.00 0.00 O ATOM 0 H1 GLY A -1 0.805 -0.530 1.028 1.00 0.00 H new ATOM 0 H2 GLY A -1 1.331 0.903 0.284 1.00 0.00 H new ATOM 0 H3 GLY A -1 -0.240 0.804 0.919 1.00 0.00 H new ATOM 0 HA2 GLY A -1 0.802 -0.796 -1.364 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -0.820 -0.898 -0.709 1.00 0.00 H new ATOM 8 N GLY A 0 0.292 1.167 -2.883 1.00 0.00 N ATOM 9 CA GLY A 0 0.114 2.319 -3.761 1.00 0.00 C ATOM 10 C GLY A 0 0.288 3.661 -3.051 1.00 0.00 C ATOM 11 O GLY A 0 0.768 3.748 -1.918 1.00 0.00 O ATOM 0 H GLY A 0 1.030 0.539 -3.202 1.00 0.00 H new ATOM 0 HA2 GLY A 0 0.830 2.255 -4.580 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -0.881 2.278 -4.204 1.00 0.00 H new ATOM 15 N ALA A 1 -0.117 4.710 -3.757 1.00 0.00 N ATOM 16 CA ALA A 1 -0.143 6.091 -3.296 1.00 0.00 C ATOM 17 C ALA A 1 -1.025 6.966 -4.207 1.00 0.00 C ATOM 18 O ALA A 1 -1.453 6.542 -5.290 1.00 0.00 O ATOM 19 CB ALA A 1 1.302 6.588 -3.237 1.00 0.00 C ATOM 0 H ALA A 1 -0.453 4.614 -4.715 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.589 6.154 -2.303 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.317 7.623 -2.894 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.872 5.968 -2.545 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.748 6.528 -4.230 1.00 0.00 H new ATOM 25 N LEU A 2 -1.257 8.198 -3.764 1.00 0.00 N ATOM 26 CA LEU A 2 -2.229 9.152 -4.297 1.00 0.00 C ATOM 27 C LEU A 2 -1.511 10.427 -4.773 1.00 0.00 C ATOM 28 O LEU A 2 -0.558 10.872 -4.130 1.00 0.00 O ATOM 29 CB LEU A 2 -3.202 9.468 -3.144 1.00 0.00 C ATOM 30 CG LEU A 2 -3.965 8.255 -2.572 1.00 0.00 C ATOM 31 CD1 LEU A 2 -4.594 8.590 -1.222 1.00 0.00 C ATOM 32 CD2 LEU A 2 -5.056 7.787 -3.534 1.00 0.00 C ATOM 0 H LEU A 2 -0.740 8.583 -2.974 1.00 0.00 H new ATOM 0 HA LEU A 2 -2.763 8.745 -5.155 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -2.641 9.937 -2.336 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -3.929 10.201 -3.495 1.00 0.00 H new ATOM 0 HG LEU A 2 -3.240 7.452 -2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.125 7.718 -0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -3.813 8.875 -0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -5.294 9.417 -1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.577 6.931 -3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -5.766 8.597 -3.701 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -4.605 7.498 -4.483 1.00 0.00 H new ATOM 44 N SER A 3 -1.926 11.012 -5.899 1.00 0.00 N ATOM 45 CA SER A 3 -1.282 12.224 -6.441 1.00 0.00 C ATOM 46 C SER A 3 -1.616 13.462 -5.605 1.00 0.00 C ATOM 47 O SER A 3 -2.596 13.456 -4.858 1.00 0.00 O ATOM 48 CB SER A 3 -1.690 12.417 -7.906 1.00 0.00 C ATOM 49 OG SER A 3 -0.936 13.451 -8.512 1.00 0.00 O ATOM 0 H SER A 3 -2.707 10.669 -6.459 1.00 0.00 H new ATOM 0 HA SER A 3 -0.201 12.091 -6.391 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.543 11.486 -8.454 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.752 12.656 -7.963 1.00 0.00 H new ATOM 0 HG SER A 3 -1.213 13.554 -9.446 1.00 0.00 H new ATOM 55 N TYR A 4 -0.838 14.541 -5.751 1.00 0.00 N ATOM 56 CA TYR A 4 -1.037 15.812 -5.038 1.00 0.00 C ATOM 57 C TYR A 4 -2.493 16.307 -5.097 1.00 0.00 C ATOM 58 O TYR A 4 -3.052 16.709 -4.081 1.00 0.00 O ATOM 59 CB TYR A 4 -0.087 16.871 -5.619 1.00 0.00 C ATOM 60 CG TYR A 4 -0.343 18.285 -5.120 1.00 0.00 C ATOM 61 CD1 TYR A 4 -1.258 19.114 -5.802 1.00 0.00 C ATOM 62 CD2 TYR A 4 0.310 18.760 -3.969 1.00 0.00 C ATOM 63 CE1 TYR A 4 -1.533 20.410 -5.322 1.00 0.00 C ATOM 64 CE2 TYR A 4 0.040 20.057 -3.484 1.00 0.00 C ATOM 65 CZ TYR A 4 -0.881 20.887 -4.164 1.00 0.00 C ATOM 66 OH TYR A 4 -1.136 22.147 -3.723 1.00 0.00 O ATOM 0 H TYR A 4 -0.036 14.557 -6.381 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.812 15.641 -3.985 1.00 0.00 H new ATOM 0 HB2 TYR A 4 0.939 16.593 -5.377 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.172 16.861 -6.706 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -1.749 18.755 -6.694 1.00 0.00 H new ATOM 0 HD2 TYR A 4 1.021 18.130 -3.455 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -2.242 21.038 -5.840 1.00 0.00 H new ATOM 0 HE2 TYR A 4 0.536 20.416 -2.594 1.00 0.00 H new ATOM 0 HH TYR A 4 -0.610 22.324 -2.915 1.00 0.00 H new ATOM 76 N GLU A 5 -3.121 16.220 -6.273 1.00 0.00 N ATOM 77 CA GLU A 5 -4.516 16.621 -6.514 1.00 0.00 C ATOM 78 C GLU A 5 -5.568 15.853 -5.687 1.00 0.00 C ATOM 79 O GLU A 5 -6.735 16.252 -5.661 1.00 0.00 O ATOM 80 CB GLU A 5 -4.810 16.531 -8.021 1.00 0.00 C ATOM 81 CG GLU A 5 -4.800 15.105 -8.595 1.00 0.00 C ATOM 82 CD GLU A 5 -6.198 14.456 -8.588 1.00 0.00 C ATOM 83 OE1 GLU A 5 -7.049 14.871 -9.413 1.00 0.00 O ATOM 84 OE2 GLU A 5 -6.426 13.513 -7.794 1.00 0.00 O ATOM 0 H GLU A 5 -2.663 15.859 -7.110 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.609 17.650 -6.166 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.785 16.979 -8.214 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.073 17.129 -8.557 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.420 15.131 -9.616 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.114 14.488 -8.015 1.00 0.00 H new ATOM 91 N THR A 6 -5.169 14.777 -5.000 1.00 0.00 N ATOM 92 CA THR A 6 -6.032 13.995 -4.108 1.00 0.00 C ATOM 93 C THR A 6 -6.243 14.745 -2.794 1.00 0.00 C ATOM 94 O THR A 6 -5.324 14.834 -1.978 1.00 0.00 O ATOM 95 CB THR A 6 -5.422 12.621 -3.792 1.00 0.00 C ATOM 96 OG1 THR A 6 -4.912 12.001 -4.948 1.00 0.00 O ATOM 97 CG2 THR A 6 -6.475 11.697 -3.193 1.00 0.00 C ATOM 0 H THR A 6 -4.216 14.418 -5.050 1.00 0.00 H new ATOM 0 HA THR A 6 -6.982 13.850 -4.622 1.00 0.00 H new ATOM 0 HB THR A 6 -4.611 12.791 -3.084 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.020 12.357 -5.144 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.027 10.728 -2.975 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.861 12.134 -2.272 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.292 11.567 -3.903 1.00 0.00 H new ATOM 105 N GLU A 7 -7.439 15.291 -2.559 1.00 0.00 N ATOM 106 CA GLU A 7 -7.708 16.080 -1.349 1.00 0.00 C ATOM 107 C GLU A 7 -8.452 15.267 -0.288 1.00 0.00 C ATOM 108 O GLU A 7 -9.405 14.538 -0.579 1.00 0.00 O ATOM 109 CB GLU A 7 -8.475 17.368 -1.658 1.00 0.00 C ATOM 110 CG GLU A 7 -7.834 18.188 -2.788 1.00 0.00 C ATOM 111 CD GLU A 7 -8.390 19.624 -2.853 1.00 0.00 C ATOM 112 OE1 GLU A 7 -8.077 20.439 -1.953 1.00 0.00 O ATOM 113 OE2 GLU A 7 -9.124 19.957 -3.817 1.00 0.00 O ATOM 0 H GLU A 7 -8.237 15.203 -3.188 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.733 16.355 -0.947 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.500 17.118 -1.933 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.527 17.979 -0.757 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.755 18.224 -2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.009 17.689 -3.741 1.00 0.00 H new ATOM 120 N ILE A 8 -8.030 15.439 0.962 1.00 0.00 N ATOM 121 CA ILE A 8 -8.428 14.636 2.116 1.00 0.00 C ATOM 122 C ILE A 8 -9.054 15.602 3.125 1.00 0.00 C ATOM 123 O ILE A 8 -8.394 16.535 3.583 1.00 0.00 O ATOM 124 CB ILE A 8 -7.205 13.912 2.734 1.00 0.00 C ATOM 125 CG1 ILE A 8 -6.305 13.170 1.719 1.00 0.00 C ATOM 126 CG2 ILE A 8 -7.656 12.952 3.849 1.00 0.00 C ATOM 127 CD1 ILE A 8 -7.006 12.161 0.802 1.00 0.00 C ATOM 0 H ILE A 8 -7.370 16.176 1.210 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.137 13.861 1.825 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.582 14.705 3.146 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.809 13.913 1.095 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.525 12.646 2.272 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.785 12.452 4.273 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.166 13.516 4.630 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.337 12.208 3.435 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.274 11.705 0.135 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.478 11.386 1.407 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.766 12.673 0.211 1.00 0.00 H new ATOM 139 N LEU A 9 -10.340 15.428 3.432 1.00 0.00 N ATOM 140 CA LEU A 9 -11.040 16.227 4.445 1.00 0.00 C ATOM 141 C LEU A 9 -10.392 16.049 5.835 1.00 0.00 C ATOM 142 O LEU A 9 -10.252 14.922 6.318 1.00 0.00 O ATOM 143 CB LEU A 9 -12.535 15.842 4.432 1.00 0.00 C ATOM 144 CG LEU A 9 -13.476 16.945 4.957 1.00 0.00 C ATOM 145 CD1 LEU A 9 -14.867 16.791 4.344 1.00 0.00 C ATOM 146 CD2 LEU A 9 -13.658 16.930 6.462 1.00 0.00 C ATOM 0 H LEU A 9 -10.930 14.727 2.985 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.956 17.288 4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.824 15.588 3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.673 14.945 5.035 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.999 17.883 4.672 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -15.521 17.576 4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.797 16.870 3.259 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -15.277 15.817 4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.333 17.734 6.755 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.080 15.973 6.768 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.692 17.072 6.947 1.00 0.00 H new ATOM 158 N THR A 10 -10.038 17.159 6.492 1.00 0.00 N ATOM 159 CA THR A 10 -9.445 17.176 7.841 1.00 0.00 C ATOM 160 C THR A 10 -10.272 17.988 8.839 1.00 0.00 C ATOM 161 O THR A 10 -11.043 18.874 8.467 1.00 0.00 O ATOM 162 CB THR A 10 -7.991 17.693 7.847 1.00 0.00 C ATOM 163 OG1 THR A 10 -7.926 19.070 7.550 1.00 0.00 O ATOM 164 CG2 THR A 10 -7.077 16.953 6.875 1.00 0.00 C ATOM 0 H THR A 10 -10.157 18.091 6.096 1.00 0.00 H new ATOM 0 HA THR A 10 -9.444 16.133 8.157 1.00 0.00 H new ATOM 0 HB THR A 10 -7.637 17.507 8.861 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.991 19.364 7.564 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.071 17.369 6.933 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.048 15.895 7.137 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.458 17.065 5.860 1.00 0.00 H new ATOM 172 N VAL A 11 -10.101 17.689 10.131 1.00 0.00 N ATOM 173 CA VAL A 11 -10.730 18.450 11.235 1.00 0.00 C ATOM 174 C VAL A 11 -9.987 19.765 11.505 1.00 0.00 C ATOM 175 O VAL A 11 -10.598 20.781 11.836 1.00 0.00 O ATOM 176 CB VAL A 11 -10.789 17.607 12.527 1.00 0.00 C ATOM 177 CG1 VAL A 11 -11.588 18.295 13.640 1.00 0.00 C ATOM 178 CG2 VAL A 11 -11.435 16.237 12.298 1.00 0.00 C ATOM 0 H VAL A 11 -9.522 16.912 10.450 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.747 18.687 10.923 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.747 17.491 12.827 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.599 17.660 14.526 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.124 19.251 13.884 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -12.611 18.464 13.303 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.453 15.682 13.236 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.454 16.371 11.936 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.858 15.682 11.559 1.00 0.00 H new ATOM 188 N GLU A 12 -8.661 19.756 11.340 1.00 0.00 N ATOM 189 CA GLU A 12 -7.783 20.902 11.626 1.00 0.00 C ATOM 190 C GLU A 12 -7.915 22.056 10.618 1.00 0.00 C ATOM 191 O GLU A 12 -7.765 23.217 11.011 1.00 0.00 O ATOM 192 CB GLU A 12 -6.326 20.408 11.675 1.00 0.00 C ATOM 193 CG GLU A 12 -5.864 20.071 13.098 1.00 0.00 C ATOM 194 CD GLU A 12 -5.805 21.317 14.008 1.00 0.00 C ATOM 195 OE1 GLU A 12 -4.852 22.123 13.890 1.00 0.00 O ATOM 196 OE2 GLU A 12 -6.711 21.490 14.863 1.00 0.00 O ATOM 0 H GLU A 12 -8.155 18.939 10.998 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.093 21.312 12.587 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.225 19.524 11.045 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.673 21.174 11.257 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.543 19.338 13.534 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.878 19.607 13.057 1.00 0.00 H new ATOM 203 N TYR A 13 -8.238 21.759 9.352 1.00 0.00 N ATOM 204 CA TYR A 13 -8.372 22.768 8.288 1.00 0.00 C ATOM 205 C TYR A 13 -9.582 22.542 7.370 1.00 0.00 C ATOM 206 O TYR A 13 -10.330 23.489 7.111 1.00 0.00 O ATOM 207 CB TYR A 13 -7.097 22.789 7.426 1.00 0.00 C ATOM 208 CG TYR A 13 -5.809 23.205 8.124 1.00 0.00 C ATOM 209 CD1 TYR A 13 -5.733 24.438 8.805 1.00 0.00 C ATOM 210 CD2 TYR A 13 -4.669 22.381 8.048 1.00 0.00 C ATOM 211 CE1 TYR A 13 -4.530 24.837 9.422 1.00 0.00 C ATOM 212 CE2 TYR A 13 -3.462 22.780 8.655 1.00 0.00 C ATOM 213 CZ TYR A 13 -3.390 24.008 9.346 1.00 0.00 C ATOM 214 OH TYR A 13 -2.219 24.391 9.925 1.00 0.00 O ATOM 0 H TYR A 13 -8.415 20.806 9.034 1.00 0.00 H new ATOM 0 HA TYR A 13 -8.525 23.721 8.795 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.952 21.793 7.008 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -7.264 23.465 6.587 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.601 25.079 8.854 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.721 21.439 7.522 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.481 25.776 9.953 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.591 22.145 8.591 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.539 23.701 9.777 1.00 0.00 H new ATOM 224 N GLY A 14 -9.774 21.318 6.865 1.00 0.00 N ATOM 225 CA GLY A 14 -10.798 20.985 5.872 1.00 0.00 C ATOM 226 C GLY A 14 -10.225 20.254 4.657 1.00 0.00 C ATOM 227 O GLY A 14 -9.283 19.472 4.759 1.00 0.00 O ATOM 0 H GLY A 14 -9.209 20.515 7.142 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.562 20.363 6.338 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.290 21.900 5.542 1.00 0.00 H new ATOM 231 N LEU A 15 -10.834 20.492 3.498 1.00 0.00 N ATOM 232 CA LEU A 15 -10.460 19.954 2.182 1.00 0.00 C ATOM 233 C LEU A 15 -9.063 20.468 1.757 1.00 0.00 C ATOM 234 O LEU A 15 -8.926 21.633 1.369 1.00 0.00 O ATOM 235 CB LEU A 15 -11.545 20.359 1.145 1.00 0.00 C ATOM 236 CG LEU A 15 -13.004 20.448 1.648 1.00 0.00 C ATOM 237 CD1 LEU A 15 -13.908 20.996 0.551 1.00 0.00 C ATOM 238 CD2 LEU A 15 -13.572 19.114 2.123 1.00 0.00 C ATOM 0 H LEU A 15 -11.651 21.101 3.443 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.403 18.867 2.235 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -11.271 21.329 0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -11.513 19.641 0.325 1.00 0.00 H new ATOM 0 HG LEU A 15 -12.978 21.118 2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -14.933 21.053 0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -13.569 21.991 0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -13.870 20.336 -0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -14.599 19.255 2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -13.556 18.398 1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -12.968 18.734 2.947 1.00 0.00 H new ATOM 250 N LEU A 16 -8.031 19.619 1.841 1.00 0.00 N ATOM 251 CA LEU A 16 -6.645 19.936 1.446 1.00 0.00 C ATOM 252 C LEU A 16 -5.909 18.772 0.743 1.00 0.00 C ATOM 253 O LEU A 16 -6.177 17.609 1.053 1.00 0.00 O ATOM 254 CB LEU A 16 -5.839 20.345 2.693 1.00 0.00 C ATOM 255 CG LEU A 16 -6.172 21.724 3.284 1.00 0.00 C ATOM 256 CD1 LEU A 16 -5.286 21.941 4.506 1.00 0.00 C ATOM 257 CD2 LEU A 16 -5.904 22.871 2.307 1.00 0.00 C ATOM 0 H LEU A 16 -8.135 18.668 2.194 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.715 20.750 0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.995 19.592 3.466 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.779 20.326 2.439 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.235 21.730 3.526 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.503 22.915 4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.482 21.160 5.241 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.238 21.903 4.207 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.158 23.819 2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.850 22.874 2.030 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.513 22.737 1.413 1.00 0.00 H new ATOM 269 N PRO A 17 -4.948 19.058 -0.161 1.00 0.00 N ATOM 270 CA PRO A 17 -4.190 18.055 -0.926 1.00 0.00 C ATOM 271 C PRO A 17 -3.239 17.203 -0.064 1.00 0.00 C ATOM 272 O PRO A 17 -2.438 17.733 0.713 1.00 0.00 O ATOM 273 CB PRO A 17 -3.420 18.862 -1.982 1.00 0.00 C ATOM 274 CG PRO A 17 -3.287 20.255 -1.385 1.00 0.00 C ATOM 275 CD PRO A 17 -4.571 20.403 -0.584 1.00 0.00 C ATOM 0 HA PRO A 17 -4.867 17.322 -1.365 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.443 18.422 -2.181 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.957 18.887 -2.930 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.404 20.341 -0.752 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.202 21.019 -2.157 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -4.419 21.053 0.278 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.357 20.855 -1.189 1.00 0.00 H new ATOM 283 N ILE A 18 -3.260 15.875 -0.257 1.00 0.00 N ATOM 284 CA ILE A 18 -2.365 14.922 0.430 1.00 0.00 C ATOM 285 C ILE A 18 -0.881 15.199 0.176 1.00 0.00 C ATOM 286 O ILE A 18 -0.061 15.044 1.081 1.00 0.00 O ATOM 287 CB ILE A 18 -2.721 13.459 0.078 1.00 0.00 C ATOM 288 CG1 ILE A 18 -2.016 12.496 1.062 1.00 0.00 C ATOM 289 CG2 ILE A 18 -2.399 13.098 -1.385 1.00 0.00 C ATOM 290 CD1 ILE A 18 -2.480 11.039 0.952 1.00 0.00 C ATOM 0 H ILE A 18 -3.907 15.424 -0.903 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.530 15.071 1.497 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.801 13.351 0.181 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.941 12.538 0.887 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.187 12.845 2.080 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.671 12.059 -1.572 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.965 13.747 -2.053 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.333 13.232 -1.567 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.938 10.429 1.675 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -3.549 10.981 1.157 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.283 10.669 -0.054 1.00 0.00 H new ATOM 302 N GLY A 19 -0.527 15.670 -1.025 1.00 0.00 N ATOM 303 CA GLY A 19 0.870 15.927 -1.370 1.00 0.00 C ATOM 304 C GLY A 19 1.482 17.026 -0.509 1.00 0.00 C ATOM 305 O GLY A 19 2.632 16.907 -0.095 1.00 0.00 O ATOM 0 H GLY A 19 -1.190 15.880 -1.771 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.447 15.010 -1.250 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.937 16.211 -2.420 1.00 0.00 H new ATOM 309 N LYS A 20 0.698 18.048 -0.140 1.00 0.00 N ATOM 310 CA LYS A 20 1.154 19.123 0.751 1.00 0.00 C ATOM 311 C LYS A 20 1.285 18.638 2.195 1.00 0.00 C ATOM 312 O LYS A 20 2.202 19.059 2.893 1.00 0.00 O ATOM 313 CB LYS A 20 0.207 20.329 0.615 1.00 0.00 C ATOM 314 CG LYS A 20 0.932 21.666 0.839 1.00 0.00 C ATOM 315 CD LYS A 20 0.026 22.845 0.436 1.00 0.00 C ATOM 316 CE LYS A 20 0.793 24.173 0.334 1.00 0.00 C ATOM 317 NZ LYS A 20 1.137 24.744 1.665 1.00 0.00 N ATOM 0 H LYS A 20 -0.268 18.153 -0.450 1.00 0.00 H new ATOM 0 HA LYS A 20 2.154 19.439 0.454 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.244 20.324 -0.377 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.606 20.233 1.335 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.217 21.761 1.887 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.852 21.690 0.255 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.443 22.626 -0.523 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.776 22.948 1.167 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.708 24.016 -0.236 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.191 24.893 -0.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.653 25.638 1.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.265 24.922 2.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.734 24.072 2.187 1.00 0.00 H new ATOM 331 N ILE A 21 0.438 17.695 2.626 1.00 0.00 N ATOM 332 CA ILE A 21 0.524 17.080 3.961 1.00 0.00 C ATOM 333 C ILE A 21 1.820 16.285 4.105 1.00 0.00 C ATOM 334 O ILE A 21 2.444 16.347 5.156 1.00 0.00 O ATOM 335 CB ILE A 21 -0.721 16.224 4.293 1.00 0.00 C ATOM 336 CG1 ILE A 21 -1.986 17.116 4.372 1.00 0.00 C ATOM 337 CG2 ILE A 21 -0.560 15.431 5.601 1.00 0.00 C ATOM 338 CD1 ILE A 21 -3.309 16.353 4.210 1.00 0.00 C ATOM 0 H ILE A 21 -0.329 17.334 2.059 1.00 0.00 H new ATOM 0 HA ILE A 21 0.542 17.886 4.695 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.831 15.502 3.484 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.993 17.632 5.332 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.925 17.882 3.599 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.462 14.848 5.786 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.295 14.760 5.517 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.399 16.122 6.428 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -4.143 17.052 4.278 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.328 15.859 3.238 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.397 15.606 4.998 1.00 0.00 H new ATOM 350 N VAL A 22 2.266 15.584 3.063 1.00 0.00 N ATOM 351 CA VAL A 22 3.484 14.758 3.121 1.00 0.00 C ATOM 352 C VAL A 22 4.755 15.564 2.813 1.00 0.00 C ATOM 353 O VAL A 22 5.768 15.383 3.488 1.00 0.00 O ATOM 354 CB VAL A 22 3.319 13.543 2.196 1.00 0.00 C ATOM 355 CG1 VAL A 22 4.557 12.647 2.183 1.00 0.00 C ATOM 356 CG2 VAL A 22 2.124 12.696 2.674 1.00 0.00 C ATOM 0 H VAL A 22 1.800 15.569 2.156 1.00 0.00 H new ATOM 0 HA VAL A 22 3.614 14.401 4.143 1.00 0.00 H new ATOM 0 HB VAL A 22 3.161 13.928 1.188 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.388 11.803 1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.417 13.220 1.835 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.750 12.278 3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.005 11.833 2.019 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.304 12.356 3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.217 13.299 2.648 1.00 0.00 H new ATOM 366 N GLU A 23 4.711 16.505 1.865 1.00 0.00 N ATOM 367 CA GLU A 23 5.846 17.387 1.534 1.00 0.00 C ATOM 368 C GLU A 23 6.180 18.385 2.653 1.00 0.00 C ATOM 369 O GLU A 23 7.342 18.780 2.796 1.00 0.00 O ATOM 370 CB GLU A 23 5.570 18.166 0.233 1.00 0.00 C ATOM 371 CG GLU A 23 5.614 17.295 -1.031 1.00 0.00 C ATOM 372 CD GLU A 23 7.057 17.029 -1.498 1.00 0.00 C ATOM 373 OE1 GLU A 23 7.738 16.143 -0.929 1.00 0.00 O ATOM 374 OE2 GLU A 23 7.518 17.698 -2.456 1.00 0.00 O ATOM 0 H GLU A 23 3.882 16.681 1.298 1.00 0.00 H new ATOM 0 HA GLU A 23 6.707 16.731 1.406 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.590 18.638 0.304 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.303 18.967 0.137 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.116 16.346 -0.835 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.059 17.787 -1.830 1.00 0.00 H new ATOM 381 N LYS A 24 5.182 18.760 3.469 1.00 0.00 N ATOM 382 CA LYS A 24 5.318 19.713 4.591 1.00 0.00 C ATOM 383 C LYS A 24 5.076 19.065 5.967 1.00 0.00 C ATOM 384 O LYS A 24 5.083 19.767 6.982 1.00 0.00 O ATOM 385 CB LYS A 24 4.402 20.933 4.372 1.00 0.00 C ATOM 386 CG LYS A 24 4.507 21.607 2.992 1.00 0.00 C ATOM 387 CD LYS A 24 5.886 22.192 2.647 1.00 0.00 C ATOM 388 CE LYS A 24 6.335 23.254 3.661 1.00 0.00 C ATOM 389 NZ LYS A 24 7.623 23.884 3.259 1.00 0.00 N ATOM 0 H LYS A 24 4.232 18.402 3.367 1.00 0.00 H new ATOM 0 HA LYS A 24 6.355 20.050 4.600 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.369 20.621 4.526 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.628 21.676 5.137 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.240 20.876 2.228 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.768 22.407 2.940 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.622 21.389 2.615 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.853 22.634 1.651 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.566 24.021 3.750 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.444 22.796 4.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.897 24.596 3.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.362 23.155 3.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.511 24.342 2.332 1.00 0.00 H new ATOM 403 N ARG A 25 4.894 17.736 6.003 1.00 0.00 N ATOM 404 CA ARG A 25 4.677 16.889 7.203 1.00 0.00 C ATOM 405 C ARG A 25 3.582 17.440 8.131 1.00 0.00 C ATOM 406 O ARG A 25 3.761 17.552 9.348 1.00 0.00 O ATOM 407 CB ARG A 25 6.016 16.665 7.922 1.00 0.00 C ATOM 408 CG ARG A 25 7.089 15.984 7.053 1.00 0.00 C ATOM 409 CD ARG A 25 8.437 16.658 7.320 1.00 0.00 C ATOM 410 NE ARG A 25 9.577 15.869 6.814 1.00 0.00 N ATOM 411 CZ ARG A 25 10.856 16.176 6.958 1.00 0.00 C ATOM 412 NH1 ARG A 25 11.248 17.302 7.490 1.00 0.00 N ATOM 413 NH2 ARG A 25 11.782 15.345 6.572 1.00 0.00 N ATOM 0 H ARG A 25 4.893 17.183 5.146 1.00 0.00 H new ATOM 0 HA ARG A 25 4.299 15.920 6.877 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.398 17.627 8.265 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.842 16.057 8.810 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.145 14.921 7.286 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.828 16.065 5.998 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.445 17.643 6.852 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.555 16.813 8.392 1.00 0.00 H new ATOM 0 HE ARG A 25 9.360 15.010 6.308 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.559 17.981 7.812 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.244 17.502 7.584 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.523 14.451 6.155 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.766 15.589 6.686 1.00 0.00 H new ATOM 427 N ILE A 26 2.470 17.869 7.533 1.00 0.00 N ATOM 428 CA ILE A 26 1.373 18.570 8.218 1.00 0.00 C ATOM 429 C ILE A 26 0.678 17.606 9.196 1.00 0.00 C ATOM 430 O ILE A 26 0.251 16.513 8.818 1.00 0.00 O ATOM 431 CB ILE A 26 0.365 19.203 7.221 1.00 0.00 C ATOM 432 CG1 ILE A 26 1.086 20.077 6.163 1.00 0.00 C ATOM 433 CG2 ILE A 26 -0.661 20.054 7.994 1.00 0.00 C ATOM 434 CD1 ILE A 26 0.163 20.704 5.104 1.00 0.00 C ATOM 0 H ILE A 26 2.299 17.738 6.536 1.00 0.00 H new ATOM 0 HA ILE A 26 1.797 19.401 8.782 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.146 18.396 6.696 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.621 20.876 6.676 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.834 19.466 5.657 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.368 20.498 7.293 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.199 19.422 8.701 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.143 20.845 8.536 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.757 21.297 4.408 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.354 19.914 4.558 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.569 21.346 5.594 1.00 0.00 H new ATOM 446 N GLU A 27 0.551 18.019 10.456 1.00 0.00 N ATOM 447 CA GLU A 27 -0.045 17.224 11.540 1.00 0.00 C ATOM 448 C GLU A 27 -1.506 17.629 11.790 1.00 0.00 C ATOM 449 O GLU A 27 -1.798 18.669 12.387 1.00 0.00 O ATOM 450 CB GLU A 27 0.822 17.260 12.816 1.00 0.00 C ATOM 451 CG GLU A 27 1.479 18.617 13.109 1.00 0.00 C ATOM 452 CD GLU A 27 2.075 18.696 14.530 1.00 0.00 C ATOM 453 OE1 GLU A 27 2.675 17.704 15.017 1.00 0.00 O ATOM 454 OE2 GLU A 27 1.964 19.769 15.176 1.00 0.00 O ATOM 0 H GLU A 27 0.866 18.939 10.764 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.066 16.182 11.222 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.202 16.981 13.668 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.603 16.505 12.729 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.267 18.800 12.378 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.740 19.408 12.985 1.00 0.00 H new ATOM 461 N CYS A 28 -2.421 16.775 11.317 1.00 0.00 N ATOM 462 CA CYS A 28 -3.868 17.000 11.304 1.00 0.00 C ATOM 463 C CYS A 28 -4.640 15.740 11.749 1.00 0.00 C ATOM 464 O CYS A 28 -4.060 14.697 12.065 1.00 0.00 O ATOM 465 CB CYS A 28 -4.282 17.454 9.885 1.00 0.00 C ATOM 466 SG CYS A 28 -3.765 19.163 9.573 1.00 0.00 S ATOM 0 H CYS A 28 -2.162 15.873 10.917 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.122 17.781 12.020 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.834 16.793 9.143 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -5.363 17.371 9.774 1.00 0.00 H new ATOM 0 HG CYS A 28 -2.904 19.528 10.476 1.00 0.00 H new ATOM 472 N THR A 29 -5.971 15.845 11.736 1.00 0.00 N ATOM 473 CA THR A 29 -6.915 14.744 12.003 1.00 0.00 C ATOM 474 C THR A 29 -7.728 14.484 10.737 1.00 0.00 C ATOM 475 O THR A 29 -8.078 15.434 10.038 1.00 0.00 O ATOM 476 CB THR A 29 -7.864 15.112 13.160 1.00 0.00 C ATOM 477 OG1 THR A 29 -7.209 15.808 14.199 1.00 0.00 O ATOM 478 CG2 THR A 29 -8.516 13.907 13.823 1.00 0.00 C ATOM 0 H THR A 29 -6.443 16.726 11.533 1.00 0.00 H new ATOM 0 HA THR A 29 -6.358 13.851 12.287 1.00 0.00 H new ATOM 0 HB THR A 29 -8.617 15.733 12.674 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.852 16.020 14.907 1.00 0.00 H new ATOM 0 HG21 THR A 29 -9.170 14.244 14.628 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.102 13.358 13.085 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.744 13.255 14.232 1.00 0.00 H new ATOM 486 N VAL A 30 -8.070 13.228 10.457 1.00 0.00 N ATOM 487 CA VAL A 30 -8.766 12.769 9.238 1.00 0.00 C ATOM 488 C VAL A 30 -10.053 12.031 9.614 1.00 0.00 C ATOM 489 O VAL A 30 -10.189 11.566 10.747 1.00 0.00 O ATOM 490 CB VAL A 30 -7.869 11.873 8.346 1.00 0.00 C ATOM 491 CG1 VAL A 30 -6.582 12.589 7.928 1.00 0.00 C ATOM 492 CG2 VAL A 30 -7.481 10.531 8.980 1.00 0.00 C ATOM 0 H VAL A 30 -7.864 12.461 11.097 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.013 13.654 8.652 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.494 11.666 7.477 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.983 11.926 7.304 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.832 13.488 7.365 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.013 12.863 8.816 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.854 9.969 8.288 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.931 10.711 9.904 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.382 9.958 9.200 1.00 0.00 H new ATOM 502 N TYR A 31 -10.982 11.903 8.667 1.00 0.00 N ATOM 503 CA TYR A 31 -12.253 11.196 8.845 1.00 0.00 C ATOM 504 C TYR A 31 -12.163 9.787 8.258 1.00 0.00 C ATOM 505 O TYR A 31 -11.468 9.560 7.267 1.00 0.00 O ATOM 506 CB TYR A 31 -13.394 11.975 8.178 1.00 0.00 C ATOM 507 CG TYR A 31 -13.796 13.251 8.897 1.00 0.00 C ATOM 508 CD1 TYR A 31 -13.069 14.441 8.700 1.00 0.00 C ATOM 509 CD2 TYR A 31 -14.925 13.252 9.739 1.00 0.00 C ATOM 510 CE1 TYR A 31 -13.467 15.629 9.345 1.00 0.00 C ATOM 511 CE2 TYR A 31 -15.336 14.441 10.372 1.00 0.00 C ATOM 512 CZ TYR A 31 -14.613 15.635 10.171 1.00 0.00 C ATOM 513 OH TYR A 31 -15.042 16.790 10.751 1.00 0.00 O ATOM 0 H TYR A 31 -10.871 12.297 7.733 1.00 0.00 H new ATOM 0 HA TYR A 31 -12.460 11.118 9.912 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -13.098 12.226 7.159 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -14.266 11.325 8.105 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -12.204 14.443 8.053 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -15.477 12.338 9.900 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -12.896 16.535 9.208 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -16.206 14.438 11.012 1.00 0.00 H new ATOM 0 HH TYR A 31 -15.844 16.610 11.284 1.00 0.00 H new ATOM 523 N SER A 32 -12.877 8.841 8.862 1.00 0.00 N ATOM 524 CA SER A 32 -12.922 7.430 8.465 1.00 0.00 C ATOM 525 C SER A 32 -14.191 6.768 9.028 1.00 0.00 C ATOM 526 O SER A 32 -14.799 7.291 9.962 1.00 0.00 O ATOM 527 CB SER A 32 -11.640 6.753 8.976 1.00 0.00 C ATOM 528 OG SER A 32 -11.763 5.346 8.995 1.00 0.00 O ATOM 0 H SER A 32 -13.464 9.040 9.672 1.00 0.00 H new ATOM 0 HA SER A 32 -12.966 7.328 7.381 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.801 7.036 8.340 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.415 7.112 9.980 1.00 0.00 H new ATOM 0 HG SER A 32 -10.912 4.940 8.728 1.00 0.00 H new ATOM 534 N VAL A 33 -14.615 5.633 8.459 1.00 0.00 N ATOM 535 CA VAL A 33 -15.773 4.855 8.936 1.00 0.00 C ATOM 536 C VAL A 33 -15.300 3.663 9.777 1.00 0.00 C ATOM 537 O VAL A 33 -14.477 2.860 9.329 1.00 0.00 O ATOM 538 CB VAL A 33 -16.688 4.366 7.791 1.00 0.00 C ATOM 539 CG1 VAL A 33 -18.118 4.255 8.321 1.00 0.00 C ATOM 540 CG2 VAL A 33 -16.707 5.291 6.566 1.00 0.00 C ATOM 0 H VAL A 33 -14.160 5.221 7.644 1.00 0.00 H new ATOM 0 HA VAL A 33 -16.370 5.529 9.550 1.00 0.00 H new ATOM 0 HB VAL A 33 -16.286 3.408 7.463 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -18.776 3.911 7.523 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -18.146 3.544 9.147 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -18.453 5.231 8.671 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -17.372 4.877 5.808 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -17.062 6.278 6.861 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -15.700 5.375 6.158 1.00 0.00 H new ATOM 550 N ASP A 34 -15.807 3.561 11.008 1.00 0.00 N ATOM 551 CA ASP A 34 -15.455 2.518 11.980 1.00 0.00 C ATOM 552 C ASP A 34 -15.985 1.126 11.574 1.00 0.00 C ATOM 553 O ASP A 34 -16.735 0.964 10.606 1.00 0.00 O ATOM 554 CB ASP A 34 -15.995 2.924 13.363 1.00 0.00 C ATOM 555 CG ASP A 34 -15.273 2.228 14.527 1.00 0.00 C ATOM 556 OD1 ASP A 34 -14.139 2.627 14.879 1.00 0.00 O ATOM 557 OD2 ASP A 34 -15.839 1.253 15.077 1.00 0.00 O ATOM 0 H ASP A 34 -16.495 4.222 11.369 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.369 2.434 12.011 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.900 4.004 13.480 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -17.058 2.690 13.413 1.00 0.00 H new ATOM 562 N ASN A 35 -15.645 0.112 12.368 1.00 0.00 N ATOM 563 CA ASN A 35 -16.066 -1.282 12.185 1.00 0.00 C ATOM 564 C ASN A 35 -17.595 -1.471 12.309 1.00 0.00 C ATOM 565 O ASN A 35 -18.159 -2.387 11.706 1.00 0.00 O ATOM 566 CB ASN A 35 -15.314 -2.161 13.202 1.00 0.00 C ATOM 567 CG ASN A 35 -13.801 -2.055 13.074 1.00 0.00 C ATOM 568 OD1 ASN A 35 -13.137 -1.345 13.818 1.00 0.00 O ATOM 569 ND2 ASN A 35 -13.203 -2.743 12.126 1.00 0.00 N ATOM 0 H ASN A 35 -15.048 0.239 13.185 1.00 0.00 H new ATOM 0 HA ASN A 35 -15.814 -1.584 11.168 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -15.609 -1.873 14.211 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -15.613 -3.200 13.067 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.191 -2.683 12.014 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -13.751 -3.336 11.503 1.00 0.00 H new ATOM 576 N ASN A 36 -18.271 -0.584 13.055 1.00 0.00 N ATOM 577 CA ASN A 36 -19.735 -0.534 13.188 1.00 0.00 C ATOM 578 C ASN A 36 -20.432 0.293 12.081 1.00 0.00 C ATOM 579 O ASN A 36 -21.663 0.359 12.044 1.00 0.00 O ATOM 580 CB ASN A 36 -20.073 0.037 14.578 1.00 0.00 C ATOM 581 CG ASN A 36 -19.579 -0.831 15.726 1.00 0.00 C ATOM 582 OD1 ASN A 36 -19.759 -2.043 15.757 1.00 0.00 O ATOM 583 ND2 ASN A 36 -18.947 -0.240 16.714 1.00 0.00 N ATOM 0 H ASN A 36 -17.800 0.140 13.598 1.00 0.00 H new ATOM 0 HA ASN A 36 -20.115 -1.550 13.075 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -19.636 1.031 14.670 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -21.153 0.155 14.661 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -18.608 -0.789 17.504 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -18.795 0.768 16.692 1.00 0.00 H new ATOM 590 N GLY A 37 -19.669 0.956 11.201 1.00 0.00 N ATOM 591 CA GLY A 37 -20.192 1.809 10.122 1.00 0.00 C ATOM 592 C GLY A 37 -20.554 3.242 10.548 1.00 0.00 C ATOM 593 O GLY A 37 -21.347 3.904 9.875 1.00 0.00 O ATOM 0 H GLY A 37 -18.650 0.914 11.219 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -19.449 1.859 9.326 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -21.079 1.335 9.702 1.00 0.00 H new ATOM 597 N ASN A 38 -19.981 3.729 11.657 1.00 0.00 N ATOM 598 CA ASN A 38 -20.100 5.121 12.118 1.00 0.00 C ATOM 599 C ASN A 38 -18.875 5.929 11.659 1.00 0.00 C ATOM 600 O ASN A 38 -17.741 5.482 11.832 1.00 0.00 O ATOM 601 CB ASN A 38 -20.205 5.139 13.657 1.00 0.00 C ATOM 602 CG ASN A 38 -21.601 4.814 14.167 1.00 0.00 C ATOM 603 OD1 ASN A 38 -22.350 5.687 14.586 1.00 0.00 O ATOM 604 ND2 ASN A 38 -22.003 3.563 14.152 1.00 0.00 N ATOM 0 H ASN A 38 -19.408 3.153 12.274 1.00 0.00 H new ATOM 0 HA ASN A 38 -20.995 5.573 11.691 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -19.498 4.421 14.071 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -19.911 6.123 14.023 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -22.935 3.323 14.489 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -21.383 2.832 13.804 1.00 0.00 H new ATOM 611 N ILE A 39 -19.079 7.124 11.097 1.00 0.00 N ATOM 612 CA ILE A 39 -17.983 8.034 10.744 1.00 0.00 C ATOM 613 C ILE A 39 -17.420 8.664 12.029 1.00 0.00 C ATOM 614 O ILE A 39 -18.156 9.210 12.857 1.00 0.00 O ATOM 615 CB ILE A 39 -18.428 9.088 9.702 1.00 0.00 C ATOM 616 CG1 ILE A 39 -18.973 8.383 8.434 1.00 0.00 C ATOM 617 CG2 ILE A 39 -17.235 9.993 9.341 1.00 0.00 C ATOM 618 CD1 ILE A 39 -19.390 9.315 7.291 1.00 0.00 C ATOM 0 H ILE A 39 -20.005 7.488 10.874 1.00 0.00 H new ATOM 0 HA ILE A 39 -17.184 7.471 10.262 1.00 0.00 H new ATOM 0 HB ILE A 39 -19.223 9.702 10.126 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -18.209 7.700 8.063 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -19.833 7.776 8.718 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.550 10.735 8.607 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -16.878 10.499 10.238 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.432 9.387 8.922 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -19.756 8.722 6.453 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -20.180 9.983 7.636 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -18.531 9.904 6.970 1.00 0.00 H new ATOM 630 N TYR A 40 -16.100 8.589 12.172 1.00 0.00 N ATOM 631 CA TYR A 40 -15.304 9.097 13.295 1.00 0.00 C ATOM 632 C TYR A 40 -14.021 9.788 12.793 1.00 0.00 C ATOM 633 O TYR A 40 -13.765 9.850 11.586 1.00 0.00 O ATOM 634 CB TYR A 40 -14.986 7.944 14.267 1.00 0.00 C ATOM 635 CG TYR A 40 -13.884 7.000 13.802 1.00 0.00 C ATOM 636 CD1 TYR A 40 -14.159 6.027 12.824 1.00 0.00 C ATOM 637 CD2 TYR A 40 -12.580 7.111 14.324 1.00 0.00 C ATOM 638 CE1 TYR A 40 -13.135 5.184 12.354 1.00 0.00 C ATOM 639 CE2 TYR A 40 -11.549 6.275 13.847 1.00 0.00 C ATOM 640 CZ TYR A 40 -11.823 5.317 12.848 1.00 0.00 C ATOM 641 OH TYR A 40 -10.831 4.535 12.345 1.00 0.00 O ATOM 0 H TYR A 40 -15.516 8.144 11.464 1.00 0.00 H new ATOM 0 HA TYR A 40 -15.882 9.850 13.831 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.699 8.368 15.229 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -15.895 7.365 14.431 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -15.160 5.927 12.432 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -12.369 7.840 15.093 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -13.356 4.432 11.611 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -10.550 6.368 14.246 1.00 0.00 H new ATOM 0 HH TYR A 40 -9.962 4.885 12.632 1.00 0.00 H new ATOM 651 N THR A 41 -13.205 10.305 13.718 1.00 0.00 N ATOM 652 CA THR A 41 -11.980 11.068 13.416 1.00 0.00 C ATOM 653 C THR A 41 -10.751 10.556 14.172 1.00 0.00 C ATOM 654 O THR A 41 -10.844 10.104 15.317 1.00 0.00 O ATOM 655 CB THR A 41 -12.179 12.571 13.686 1.00 0.00 C ATOM 656 OG1 THR A 41 -12.782 12.803 14.945 1.00 0.00 O ATOM 657 CG2 THR A 41 -13.055 13.206 12.610 1.00 0.00 C ATOM 0 H THR A 41 -13.377 10.205 14.718 1.00 0.00 H new ATOM 0 HA THR A 41 -11.789 10.917 12.354 1.00 0.00 H new ATOM 0 HB THR A 41 -11.187 13.022 13.676 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.891 13.767 15.083 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.181 14.268 12.823 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.580 13.085 11.636 1.00 0.00 H new ATOM 0 HG23 THR A 41 -14.030 12.720 12.601 1.00 0.00 H new ATOM 665 N GLN A 42 -9.587 10.617 13.514 1.00 0.00 N ATOM 666 CA GLN A 42 -8.318 10.036 13.984 1.00 0.00 C ATOM 667 C GLN A 42 -7.091 10.840 13.502 1.00 0.00 C ATOM 668 O GLN A 42 -7.110 11.345 12.377 1.00 0.00 O ATOM 669 CB GLN A 42 -8.242 8.572 13.509 1.00 0.00 C ATOM 670 CG GLN A 42 -8.293 8.387 11.975 1.00 0.00 C ATOM 671 CD GLN A 42 -8.494 6.937 11.536 1.00 0.00 C ATOM 672 OE1 GLN A 42 -8.610 6.014 12.329 1.00 0.00 O ATOM 673 NE2 GLN A 42 -8.542 6.673 10.250 1.00 0.00 N ATOM 0 H GLN A 42 -9.497 11.086 12.612 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.297 10.076 15.073 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.319 8.130 13.884 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.066 8.016 13.956 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.103 8.995 11.572 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.366 8.763 11.542 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.447 7.428 9.571 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.674 5.713 9.931 1.00 0.00 H new ATOM 682 N PRO A 43 -6.029 11.003 14.316 1.00 0.00 N ATOM 683 CA PRO A 43 -4.829 11.753 13.928 1.00 0.00 C ATOM 684 C PRO A 43 -3.929 10.981 12.947 1.00 0.00 C ATOM 685 O PRO A 43 -3.914 9.746 12.929 1.00 0.00 O ATOM 686 CB PRO A 43 -4.100 12.043 15.244 1.00 0.00 C ATOM 687 CG PRO A 43 -4.496 10.872 16.140 1.00 0.00 C ATOM 688 CD PRO A 43 -5.925 10.559 15.701 1.00 0.00 C ATOM 0 HA PRO A 43 -5.097 12.663 13.391 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.020 12.092 15.102 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.409 12.997 15.671 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.836 10.016 15.999 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.449 11.140 17.196 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.134 9.492 15.785 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.648 11.076 16.331 1.00 0.00 H new ATOM 696 N VAL A 44 -3.130 11.713 12.157 1.00 0.00 N ATOM 697 CA VAL A 44 -2.053 11.131 11.327 1.00 0.00 C ATOM 698 C VAL A 44 -1.000 10.464 12.222 1.00 0.00 C ATOM 699 O VAL A 44 -0.538 11.066 13.197 1.00 0.00 O ATOM 700 CB VAL A 44 -1.382 12.194 10.432 1.00 0.00 C ATOM 701 CG1 VAL A 44 -0.265 11.573 9.580 1.00 0.00 C ATOM 702 CG2 VAL A 44 -2.384 12.838 9.464 1.00 0.00 C ATOM 0 H VAL A 44 -3.208 12.726 12.072 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.506 10.384 10.676 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.979 12.947 11.109 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.191 12.344 8.959 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.492 11.139 10.233 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.684 10.794 8.942 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.872 13.581 8.852 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.813 12.070 8.820 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.179 13.321 10.032 1.00 0.00 H new ATOM 712 N ALA A 45 -0.598 9.233 11.887 1.00 0.00 N ATOM 713 CA ALA A 45 0.475 8.517 12.583 1.00 0.00 C ATOM 714 C ALA A 45 1.858 8.816 11.978 1.00 0.00 C ATOM 715 O ALA A 45 2.796 9.126 12.715 1.00 0.00 O ATOM 716 CB ALA A 45 0.175 7.015 12.529 1.00 0.00 C ATOM 0 H ALA A 45 -1.011 8.703 11.120 1.00 0.00 H new ATOM 0 HA ALA A 45 0.508 8.858 13.618 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.965 6.467 13.043 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.780 6.817 13.016 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.126 6.691 11.489 1.00 0.00 H new ATOM 722 N GLN A 46 1.979 8.732 10.646 1.00 0.00 N ATOM 723 CA GLN A 46 3.222 8.915 9.880 1.00 0.00 C ATOM 724 C GLN A 46 2.942 9.487 8.475 1.00 0.00 C ATOM 725 O GLN A 46 1.796 9.557 8.028 1.00 0.00 O ATOM 726 CB GLN A 46 3.970 7.570 9.747 1.00 0.00 C ATOM 727 CG GLN A 46 4.552 6.991 11.047 1.00 0.00 C ATOM 728 CD GLN A 46 5.564 7.899 11.752 1.00 0.00 C ATOM 729 OE1 GLN A 46 6.268 8.703 11.150 1.00 0.00 O ATOM 730 NE2 GLN A 46 5.698 7.789 13.060 1.00 0.00 N ATOM 0 H GLN A 46 1.180 8.526 10.046 1.00 0.00 H new ATOM 0 HA GLN A 46 3.841 9.628 10.424 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.285 6.837 9.321 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.784 7.699 9.034 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.733 6.780 11.734 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.033 6.039 10.822 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.121 7.126 13.578 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.378 8.367 13.553 1.00 0.00 H new ATOM 739 N TRP A 47 4.010 9.841 7.755 1.00 0.00 N ATOM 740 CA TRP A 47 3.986 10.437 6.411 1.00 0.00 C ATOM 741 C TRP A 47 4.985 9.692 5.513 1.00 0.00 C ATOM 742 O TRP A 47 6.150 9.524 5.895 1.00 0.00 O ATOM 743 CB TRP A 47 4.352 11.933 6.496 1.00 0.00 C ATOM 744 CG TRP A 47 3.482 12.797 7.364 1.00 0.00 C ATOM 745 CD1 TRP A 47 2.516 13.637 6.929 1.00 0.00 C ATOM 746 CD2 TRP A 47 3.487 12.919 8.821 1.00 0.00 C ATOM 747 NE1 TRP A 47 1.926 14.274 8.004 1.00 0.00 N ATOM 748 CE2 TRP A 47 2.451 13.825 9.197 1.00 0.00 C ATOM 749 CE3 TRP A 47 4.245 12.343 9.868 1.00 0.00 C ATOM 750 CZ2 TRP A 47 2.149 14.095 10.538 1.00 0.00 C ATOM 751 CZ3 TRP A 47 3.942 12.605 11.218 1.00 0.00 C ATOM 752 CH2 TRP A 47 2.887 13.472 11.556 1.00 0.00 C ATOM 0 H TRP A 47 4.959 9.715 8.107 1.00 0.00 H new ATOM 0 HA TRP A 47 2.986 10.349 5.986 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.377 12.011 6.858 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.338 12.344 5.486 1.00 0.00 H new ATOM 0 HD1 TRP A 47 2.245 13.788 5.894 1.00 0.00 H new ATOM 0 HE1 TRP A 47 1.197 14.984 7.925 1.00 0.00 H new ATOM 0 HE3 TRP A 47 5.071 11.690 9.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.352 14.780 10.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 4.523 12.137 11.999 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.647 13.657 12.593 1.00 0.00 H new ATOM 763 N HIS A 48 4.549 9.255 4.327 1.00 0.00 N ATOM 764 CA HIS A 48 5.361 8.452 3.403 1.00 0.00 C ATOM 765 C HIS A 48 5.271 8.989 1.964 1.00 0.00 C ATOM 766 O HIS A 48 4.200 9.347 1.463 1.00 0.00 O ATOM 767 CB HIS A 48 4.930 6.974 3.452 1.00 0.00 C ATOM 768 CG HIS A 48 4.729 6.396 4.834 1.00 0.00 C ATOM 769 ND1 HIS A 48 5.704 5.914 5.679 1.00 0.00 N ATOM 770 CD2 HIS A 48 3.526 6.223 5.469 1.00 0.00 C ATOM 771 CE1 HIS A 48 5.106 5.460 6.795 1.00 0.00 C ATOM 772 NE2 HIS A 48 3.773 5.629 6.716 1.00 0.00 N ATOM 0 H HIS A 48 3.611 9.451 3.976 1.00 0.00 H new ATOM 0 HA HIS A 48 6.400 8.526 3.723 1.00 0.00 H new ATOM 0 HB2 HIS A 48 3.999 6.867 2.895 1.00 0.00 H new ATOM 0 HB3 HIS A 48 5.682 6.378 2.935 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.557 6.496 5.078 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.623 5.022 7.636 1.00 0.00 H new ATOM 0 HE2 HIS A 48 3.081 5.376 7.421 1.00 0.00 H new ATOM 780 N ASP A 49 6.418 9.022 1.282 1.00 0.00 N ATOM 781 CA ASP A 49 6.596 9.630 -0.041 1.00 0.00 C ATOM 782 C ASP A 49 7.278 8.644 -1.002 1.00 0.00 C ATOM 783 O ASP A 49 8.396 8.173 -0.768 1.00 0.00 O ATOM 784 CB ASP A 49 7.349 10.969 0.069 1.00 0.00 C ATOM 785 CG ASP A 49 8.735 10.878 0.734 1.00 0.00 C ATOM 786 OD1 ASP A 49 8.808 10.740 1.983 1.00 0.00 O ATOM 787 OD2 ASP A 49 9.758 11.009 0.023 1.00 0.00 O ATOM 0 H ASP A 49 7.278 8.613 1.647 1.00 0.00 H new ATOM 0 HA ASP A 49 5.616 9.856 -0.461 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.468 11.386 -0.931 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.735 11.669 0.635 1.00 0.00 H new ATOM 792 N ARG A 50 6.562 8.304 -2.082 1.00 0.00 N ATOM 793 CA ARG A 50 6.981 7.317 -3.092 1.00 0.00 C ATOM 794 C ARG A 50 7.899 7.916 -4.157 1.00 0.00 C ATOM 795 O ARG A 50 8.785 7.233 -4.673 1.00 0.00 O ATOM 796 CB ARG A 50 5.730 6.744 -3.751 1.00 0.00 C ATOM 797 CG ARG A 50 4.763 6.072 -2.755 1.00 0.00 C ATOM 798 CD ARG A 50 5.373 4.944 -1.907 1.00 0.00 C ATOM 799 NE ARG A 50 5.943 3.861 -2.738 1.00 0.00 N ATOM 800 CZ ARG A 50 6.367 2.680 -2.330 1.00 0.00 C ATOM 801 NH1 ARG A 50 6.380 2.334 -1.074 1.00 0.00 N ATOM 802 NH2 ARG A 50 6.791 1.820 -3.209 1.00 0.00 N ATOM 0 H ARG A 50 5.652 8.717 -2.285 1.00 0.00 H new ATOM 0 HA ARG A 50 7.553 6.538 -2.589 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.204 7.544 -4.272 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.027 6.015 -4.505 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.369 6.836 -2.085 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.917 5.669 -3.311 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.153 5.356 -1.266 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.607 4.531 -1.251 1.00 0.00 H new ATOM 0 HE ARG A 50 6.016 4.048 -3.738 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.054 2.987 -0.362 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.716 1.410 -0.803 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.793 2.062 -4.200 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.122 0.903 -2.907 1.00 0.00 H new ATOM 816 N GLY A 51 7.672 9.188 -4.487 1.00 0.00 N ATOM 817 CA GLY A 51 8.511 9.989 -5.382 1.00 0.00 C ATOM 818 C GLY A 51 7.997 10.040 -6.821 1.00 0.00 C ATOM 819 O GLY A 51 7.829 11.134 -7.348 1.00 0.00 O ATOM 0 H GLY A 51 6.872 9.708 -4.127 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.577 11.005 -4.992 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.522 9.581 -5.380 1.00 0.00 H new ATOM 823 N GLU A 52 7.710 8.888 -7.443 1.00 0.00 N ATOM 824 CA GLU A 52 7.288 8.758 -8.856 1.00 0.00 C ATOM 825 C GLU A 52 6.870 7.309 -9.163 1.00 0.00 C ATOM 826 O GLU A 52 7.723 6.426 -9.300 1.00 0.00 O ATOM 827 CB GLU A 52 8.411 9.104 -9.862 1.00 0.00 C ATOM 828 CG GLU A 52 8.692 10.588 -10.132 1.00 0.00 C ATOM 829 CD GLU A 52 9.493 10.805 -11.433 1.00 0.00 C ATOM 830 OE1 GLU A 52 10.456 10.046 -11.709 1.00 0.00 O ATOM 831 OE2 GLU A 52 9.200 11.774 -12.178 1.00 0.00 O ATOM 0 H GLU A 52 7.765 7.988 -6.966 1.00 0.00 H new ATOM 0 HA GLU A 52 6.463 9.461 -8.973 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.334 8.647 -9.505 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.168 8.630 -10.813 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.748 11.129 -10.195 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.245 11.009 -9.293 1.00 0.00 H new ATOM 838 N GLN A 53 5.567 7.055 -9.305 1.00 0.00 N ATOM 839 CA GLN A 53 5.016 5.761 -9.743 1.00 0.00 C ATOM 840 C GLN A 53 3.952 5.919 -10.846 1.00 0.00 C ATOM 841 O GLN A 53 3.516 7.027 -11.141 1.00 0.00 O ATOM 842 CB GLN A 53 4.462 5.032 -8.511 1.00 0.00 C ATOM 843 CG GLN A 53 5.574 4.867 -7.459 1.00 0.00 C ATOM 844 CD GLN A 53 5.185 4.113 -6.209 1.00 0.00 C ATOM 845 OE1 GLN A 53 5.961 3.371 -5.623 1.00 0.00 O ATOM 846 NE2 GLN A 53 4.042 4.412 -5.639 1.00 0.00 N ATOM 0 H GLN A 53 4.848 7.753 -9.116 1.00 0.00 H new ATOM 0 HA GLN A 53 5.811 5.167 -10.194 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.629 5.594 -8.088 1.00 0.00 H new ATOM 0 HB3 GLN A 53 4.073 4.055 -8.799 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.416 4.354 -7.924 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.925 5.857 -7.170 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.382 5.029 -6.112 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.813 4.027 -4.722 1.00 0.00 H new ATOM 855 N GLU A 54 3.560 4.816 -11.493 1.00 0.00 N ATOM 856 CA GLU A 54 2.615 4.808 -12.626 1.00 0.00 C ATOM 857 C GLU A 54 1.171 5.200 -12.238 1.00 0.00 C ATOM 858 O GLU A 54 0.407 4.399 -11.693 1.00 0.00 O ATOM 859 CB GLU A 54 2.658 3.462 -13.381 1.00 0.00 C ATOM 860 CG GLU A 54 2.657 2.200 -12.502 1.00 0.00 C ATOM 861 CD GLU A 54 2.374 0.933 -13.333 1.00 0.00 C ATOM 862 OE1 GLU A 54 3.114 0.662 -14.311 1.00 0.00 O ATOM 863 OE2 GLU A 54 1.427 0.180 -12.994 1.00 0.00 O ATOM 0 H GLU A 54 3.894 3.885 -11.243 1.00 0.00 H new ATOM 0 HA GLU A 54 2.955 5.591 -13.303 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.800 3.416 -14.051 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.551 3.446 -14.006 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.621 2.102 -12.004 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.903 2.300 -11.721 1.00 0.00 H new ATOM 870 N VAL A 55 0.791 6.446 -12.534 1.00 0.00 N ATOM 871 CA VAL A 55 -0.524 7.024 -12.205 1.00 0.00 C ATOM 872 C VAL A 55 -1.501 6.901 -13.379 1.00 0.00 C ATOM 873 O VAL A 55 -1.154 7.142 -14.539 1.00 0.00 O ATOM 874 CB VAL A 55 -0.393 8.501 -11.785 1.00 0.00 C ATOM 875 CG1 VAL A 55 -1.698 9.067 -11.221 1.00 0.00 C ATOM 876 CG2 VAL A 55 0.649 8.675 -10.677 1.00 0.00 C ATOM 0 H VAL A 55 1.402 7.101 -13.022 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.922 6.455 -11.365 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.107 9.028 -12.695 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.551 10.110 -10.941 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.480 9.001 -11.977 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.994 8.493 -10.343 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.717 9.728 -10.404 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.353 8.092 -9.805 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.620 8.329 -11.033 1.00 0.00 H new ATOM 886 N PHE A 56 -2.757 6.599 -13.058 1.00 0.00 N ATOM 887 CA PHE A 56 -3.873 6.490 -13.995 1.00 0.00 C ATOM 888 C PHE A 56 -5.005 7.453 -13.600 1.00 0.00 C ATOM 889 O PHE A 56 -5.318 7.637 -12.421 1.00 0.00 O ATOM 890 CB PHE A 56 -4.383 5.040 -14.013 1.00 0.00 C ATOM 891 CG PHE A 56 -3.442 4.012 -14.620 1.00 0.00 C ATOM 892 CD1 PHE A 56 -2.308 3.569 -13.909 1.00 0.00 C ATOM 893 CD2 PHE A 56 -3.719 3.467 -15.889 1.00 0.00 C ATOM 894 CE1 PHE A 56 -1.444 2.615 -14.474 1.00 0.00 C ATOM 895 CE2 PHE A 56 -2.861 2.501 -16.448 1.00 0.00 C ATOM 896 CZ PHE A 56 -1.719 2.083 -15.746 1.00 0.00 C ATOM 0 H PHE A 56 -3.037 6.415 -12.095 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.530 6.763 -14.993 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.605 4.741 -12.989 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.323 5.013 -14.564 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.102 3.965 -12.925 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.593 3.791 -16.435 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.569 2.291 -13.931 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.081 2.081 -17.418 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.053 1.354 -16.183 1.00 0.00 H new ATOM 906 N GLU A 57 -5.633 8.060 -14.607 1.00 0.00 N ATOM 907 CA GLU A 57 -6.859 8.843 -14.485 1.00 0.00 C ATOM 908 C GLU A 57 -8.004 7.973 -13.943 1.00 0.00 C ATOM 909 O GLU A 57 -8.327 6.927 -14.512 1.00 0.00 O ATOM 910 CB GLU A 57 -7.228 9.388 -15.875 1.00 0.00 C ATOM 911 CG GLU A 57 -8.365 10.418 -15.852 1.00 0.00 C ATOM 912 CD GLU A 57 -9.384 10.121 -16.966 1.00 0.00 C ATOM 913 OE1 GLU A 57 -10.292 9.286 -16.740 1.00 0.00 O ATOM 914 OE2 GLU A 57 -9.284 10.724 -18.063 1.00 0.00 O ATOM 0 H GLU A 57 -5.287 8.017 -15.566 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.699 9.665 -13.787 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.345 9.845 -16.323 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.517 8.556 -16.517 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.862 10.398 -14.882 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.958 11.421 -15.981 1.00 0.00 H new ATOM 921 N TYR A 58 -8.632 8.433 -12.866 1.00 0.00 N ATOM 922 CA TYR A 58 -9.771 7.823 -12.206 1.00 0.00 C ATOM 923 C TYR A 58 -10.922 8.848 -12.171 1.00 0.00 C ATOM 924 O TYR A 58 -11.111 9.598 -11.211 1.00 0.00 O ATOM 925 CB TYR A 58 -9.282 7.294 -10.844 1.00 0.00 C ATOM 926 CG TYR A 58 -10.328 6.934 -9.813 1.00 0.00 C ATOM 927 CD1 TYR A 58 -11.605 6.499 -10.208 1.00 0.00 C ATOM 928 CD2 TYR A 58 -9.991 6.990 -8.444 1.00 0.00 C ATOM 929 CE1 TYR A 58 -12.552 6.148 -9.235 1.00 0.00 C ATOM 930 CE2 TYR A 58 -10.952 6.672 -7.468 1.00 0.00 C ATOM 931 CZ TYR A 58 -12.243 6.279 -7.869 1.00 0.00 C ATOM 932 OH TYR A 58 -13.203 6.045 -6.946 1.00 0.00 O ATOM 0 H TYR A 58 -8.338 9.295 -12.406 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.184 6.961 -12.731 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.673 6.409 -11.027 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.626 8.047 -10.407 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -11.856 6.435 -11.257 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.994 7.277 -8.145 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.521 5.776 -9.535 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.702 6.729 -6.419 1.00 0.00 H new ATOM 0 HH TYR A 58 -14.081 6.037 -7.382 1.00 0.00 H new ATOM 942 N CYS A 59 -11.665 8.928 -13.281 1.00 0.00 N ATOM 943 CA CYS A 59 -12.899 9.711 -13.381 1.00 0.00 C ATOM 944 C CYS A 59 -14.114 8.896 -12.907 1.00 0.00 C ATOM 945 O CYS A 59 -14.185 7.684 -13.128 1.00 0.00 O ATOM 946 CB CYS A 59 -13.084 10.153 -14.840 1.00 0.00 C ATOM 947 SG CYS A 59 -14.391 11.411 -14.978 1.00 0.00 S ATOM 0 H CYS A 59 -11.422 8.444 -14.145 1.00 0.00 H new ATOM 0 HA CYS A 59 -12.822 10.586 -12.735 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -12.146 10.554 -15.224 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -13.338 9.290 -15.456 1.00 0.00 H new ATOM 0 HG CYS A 59 -15.485 10.961 -14.440 1.00 0.00 H new ATOM 953 N LEU A 60 -15.106 9.570 -12.325 1.00 0.00 N ATOM 954 CA LEU A 60 -16.389 8.993 -11.897 1.00 0.00 C ATOM 955 C LEU A 60 -17.568 9.453 -12.766 1.00 0.00 C ATOM 956 O LEU A 60 -17.475 10.427 -13.515 1.00 0.00 O ATOM 957 CB LEU A 60 -16.646 9.360 -10.419 1.00 0.00 C ATOM 958 CG LEU A 60 -16.809 8.176 -9.450 1.00 0.00 C ATOM 959 CD1 LEU A 60 -15.617 7.233 -9.438 1.00 0.00 C ATOM 960 CD2 LEU A 60 -16.958 8.680 -8.018 1.00 0.00 C ATOM 0 H LEU A 60 -15.040 10.569 -12.130 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.317 7.912 -12.013 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -15.820 9.979 -10.070 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.546 9.972 -10.368 1.00 0.00 H new ATOM 0 HG LEU A 60 -17.691 7.642 -9.803 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -15.801 6.423 -8.733 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.470 6.820 -10.436 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.723 7.780 -9.137 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -17.072 7.831 -7.344 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -16.071 9.249 -7.738 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -17.837 9.321 -7.947 1.00 0.00 H new ATOM 972 N GLU A 61 -18.695 8.748 -12.635 1.00 0.00 N ATOM 973 CA GLU A 61 -19.924 8.984 -13.413 1.00 0.00 C ATOM 974 C GLU A 61 -20.599 10.342 -13.132 1.00 0.00 C ATOM 975 O GLU A 61 -21.316 10.861 -13.993 1.00 0.00 O ATOM 976 CB GLU A 61 -20.917 7.841 -13.135 1.00 0.00 C ATOM 977 CG GLU A 61 -20.590 6.530 -13.868 1.00 0.00 C ATOM 978 CD GLU A 61 -21.130 6.503 -15.315 1.00 0.00 C ATOM 979 OE1 GLU A 61 -20.884 7.453 -16.096 1.00 0.00 O ATOM 980 OE2 GLU A 61 -21.803 5.509 -15.688 1.00 0.00 O ATOM 0 H GLU A 61 -18.785 7.979 -11.971 1.00 0.00 H new ATOM 0 HA GLU A 61 -19.631 9.010 -14.463 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -20.941 7.648 -12.062 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -21.917 8.165 -13.423 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -19.509 6.389 -13.886 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -21.012 5.693 -13.312 1.00 0.00 H new ATOM 987 N ASP A 62 -20.362 10.943 -11.960 1.00 0.00 N ATOM 988 CA ASP A 62 -20.830 12.302 -11.637 1.00 0.00 C ATOM 989 C ASP A 62 -19.911 13.412 -12.188 1.00 0.00 C ATOM 990 O ASP A 62 -20.344 14.562 -12.314 1.00 0.00 O ATOM 991 CB ASP A 62 -21.013 12.467 -10.118 1.00 0.00 C ATOM 992 CG ASP A 62 -19.719 12.807 -9.353 1.00 0.00 C ATOM 993 OD1 ASP A 62 -18.672 12.165 -9.602 1.00 0.00 O ATOM 994 OD2 ASP A 62 -19.757 13.727 -8.501 1.00 0.00 O ATOM 0 H ASP A 62 -19.839 10.501 -11.204 1.00 0.00 H new ATOM 0 HA ASP A 62 -21.793 12.418 -12.135 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -21.745 13.254 -9.936 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -21.429 11.545 -9.712 1.00 0.00 H new ATOM 999 N GLY A 63 -18.654 13.082 -12.509 1.00 0.00 N ATOM 1000 CA GLY A 63 -17.651 14.003 -13.047 1.00 0.00 C ATOM 1001 C GLY A 63 -16.485 14.304 -12.096 1.00 0.00 C ATOM 1002 O GLY A 63 -15.576 15.045 -12.486 1.00 0.00 O ATOM 0 H GLY A 63 -18.297 12.133 -12.397 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -17.251 13.584 -13.970 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -18.141 14.941 -13.308 1.00 0.00 H new ATOM 1006 N SER A 64 -16.471 13.753 -10.873 1.00 0.00 N ATOM 1007 CA SER A 64 -15.302 13.818 -9.984 1.00 0.00 C ATOM 1008 C SER A 64 -14.071 13.199 -10.653 1.00 0.00 C ATOM 1009 O SER A 64 -14.169 12.167 -11.324 1.00 0.00 O ATOM 1010 CB SER A 64 -15.568 13.102 -8.654 1.00 0.00 C ATOM 1011 OG SER A 64 -16.327 13.928 -7.793 1.00 0.00 O ATOM 0 H SER A 64 -17.265 13.252 -10.474 1.00 0.00 H new ATOM 0 HA SER A 64 -15.112 14.872 -9.783 1.00 0.00 H new ATOM 0 HB2 SER A 64 -16.101 12.169 -8.836 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.622 12.841 -8.178 1.00 0.00 H new ATOM 0 HG SER A 64 -16.491 13.458 -6.949 1.00 0.00 H new ATOM 1017 N LEU A 65 -12.906 13.819 -10.443 1.00 0.00 N ATOM 1018 CA LEU A 65 -11.646 13.453 -11.092 1.00 0.00 C ATOM 1019 C LEU A 65 -10.559 13.231 -10.033 1.00 0.00 C ATOM 1020 O LEU A 65 -10.385 14.051 -9.127 1.00 0.00 O ATOM 1021 CB LEU A 65 -11.256 14.562 -12.089 1.00 0.00 C ATOM 1022 CG LEU A 65 -10.290 14.067 -13.182 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -11.045 13.262 -14.246 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -9.610 15.254 -13.864 1.00 0.00 C ATOM 0 H LEU A 65 -12.812 14.607 -9.802 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.760 12.520 -11.643 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -12.157 14.956 -12.558 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.793 15.386 -11.546 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.543 13.433 -12.705 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.345 12.921 -15.009 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.522 12.400 -13.780 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.806 13.892 -14.707 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.930 14.890 -14.634 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.366 15.894 -14.320 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.049 15.826 -13.125 1.00 0.00 H new ATOM 1036 N ILE A 66 -9.872 12.093 -10.141 1.00 0.00 N ATOM 1037 CA ILE A 66 -8.927 11.567 -9.152 1.00 0.00 C ATOM 1038 C ILE A 66 -7.723 10.978 -9.906 1.00 0.00 C ATOM 1039 O ILE A 66 -7.862 10.498 -11.038 1.00 0.00 O ATOM 1040 CB ILE A 66 -9.622 10.504 -8.251 1.00 0.00 C ATOM 1041 CG1 ILE A 66 -10.954 11.004 -7.624 1.00 0.00 C ATOM 1042 CG2 ILE A 66 -8.673 10.037 -7.129 1.00 0.00 C ATOM 1043 CD1 ILE A 66 -11.845 9.899 -7.043 1.00 0.00 C ATOM 0 H ILE A 66 -9.962 11.485 -10.955 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.580 12.362 -8.492 1.00 0.00 H new ATOM 0 HB ILE A 66 -9.866 9.669 -8.908 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -10.722 11.718 -6.833 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.518 11.544 -8.385 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -9.178 9.295 -6.511 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -7.779 9.595 -7.569 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.390 10.891 -6.513 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.750 10.342 -6.628 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -12.113 9.196 -7.831 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -11.305 9.373 -6.256 1.00 0.00 H new ATOM 1055 N ARG A 67 -6.532 11.001 -9.297 1.00 0.00 N ATOM 1056 CA ARG A 67 -5.280 10.489 -9.878 1.00 0.00 C ATOM 1057 C ARG A 67 -4.516 9.634 -8.861 1.00 0.00 C ATOM 1058 O ARG A 67 -3.975 10.147 -7.882 1.00 0.00 O ATOM 1059 CB ARG A 67 -4.437 11.667 -10.399 1.00 0.00 C ATOM 1060 CG ARG A 67 -5.108 12.394 -11.574 1.00 0.00 C ATOM 1061 CD ARG A 67 -4.149 13.395 -12.227 1.00 0.00 C ATOM 1062 NE ARG A 67 -4.598 13.772 -13.583 1.00 0.00 N ATOM 1063 CZ ARG A 67 -4.016 14.657 -14.374 1.00 0.00 C ATOM 1064 NH1 ARG A 67 -2.931 15.291 -14.027 1.00 0.00 N ATOM 1065 NH2 ARG A 67 -4.510 14.918 -15.552 1.00 0.00 N ATOM 0 H ARG A 67 -6.406 11.386 -8.361 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.509 9.838 -10.722 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.266 12.375 -9.588 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.460 11.300 -10.713 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.438 11.666 -12.315 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.998 12.916 -11.222 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.076 14.288 -11.606 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.150 12.961 -12.281 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.432 13.308 -13.941 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.503 15.111 -13.119 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.510 15.967 -14.664 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.352 14.438 -15.870 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.055 15.602 -16.156 1.00 0.00 H new ATOM 1079 N ALA A 68 -4.474 8.322 -9.105 1.00 0.00 N ATOM 1080 CA ALA A 68 -3.856 7.331 -8.217 1.00 0.00 C ATOM 1081 C ALA A 68 -3.129 6.215 -8.993 1.00 0.00 C ATOM 1082 O ALA A 68 -3.240 6.083 -10.214 1.00 0.00 O ATOM 1083 CB ALA A 68 -4.945 6.753 -7.298 1.00 0.00 C ATOM 0 H ALA A 68 -4.878 7.908 -9.945 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.089 7.826 -7.621 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.503 6.014 -6.630 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.387 7.556 -6.708 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.718 6.279 -7.903 1.00 0.00 H new ATOM 1089 N THR A 69 -2.367 5.405 -8.258 1.00 0.00 N ATOM 1090 CA THR A 69 -1.660 4.215 -8.771 1.00 0.00 C ATOM 1091 C THR A 69 -2.564 2.976 -8.758 1.00 0.00 C ATOM 1092 O THR A 69 -3.402 2.819 -7.870 1.00 0.00 O ATOM 1093 CB THR A 69 -0.404 3.922 -7.929 1.00 0.00 C ATOM 1094 OG1 THR A 69 -0.658 4.114 -6.557 1.00 0.00 O ATOM 1095 CG2 THR A 69 0.760 4.846 -8.264 1.00 0.00 C ATOM 0 H THR A 69 -2.216 5.556 -7.261 1.00 0.00 H new ATOM 0 HA THR A 69 -1.372 4.434 -9.799 1.00 0.00 H new ATOM 0 HB THR A 69 -0.147 2.888 -8.159 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.836 3.249 -6.133 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.617 4.593 -7.640 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.028 4.727 -9.314 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.469 5.880 -8.078 1.00 0.00 H new ATOM 1103 N LYS A 70 -2.355 2.043 -9.702 1.00 0.00 N ATOM 1104 CA LYS A 70 -3.097 0.761 -9.775 1.00 0.00 C ATOM 1105 C LYS A 70 -2.911 -0.168 -8.564 1.00 0.00 C ATOM 1106 O LYS A 70 -3.725 -1.065 -8.356 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.760 0.016 -11.084 1.00 0.00 C ATOM 1108 CG LYS A 70 -3.694 0.447 -12.224 1.00 0.00 C ATOM 1109 CD LYS A 70 -3.471 -0.391 -13.489 1.00 0.00 C ATOM 1110 CE LYS A 70 -4.548 -0.081 -14.538 1.00 0.00 C ATOM 1111 NZ LYS A 70 -4.474 -1.026 -15.684 1.00 0.00 N ATOM 0 H LYS A 70 -1.663 2.152 -10.443 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.151 1.040 -9.761 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.725 0.215 -11.363 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.846 -1.059 -10.926 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.731 0.350 -11.901 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.528 1.500 -12.451 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.484 -0.182 -13.901 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.494 -1.452 -13.238 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.534 -0.140 -14.078 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.425 0.941 -14.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.985 -0.627 -16.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.479 -1.181 -15.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.906 -1.933 -15.415 1.00 0.00 H new ATOM 1125 N ASP A 71 -1.876 0.056 -7.753 1.00 0.00 N ATOM 1126 CA ASP A 71 -1.592 -0.692 -6.522 1.00 0.00 C ATOM 1127 C ASP A 71 -2.324 -0.125 -5.292 1.00 0.00 C ATOM 1128 O ASP A 71 -2.375 -0.785 -4.251 1.00 0.00 O ATOM 1129 CB ASP A 71 -0.076 -0.673 -6.260 1.00 0.00 C ATOM 1130 CG ASP A 71 0.713 -1.467 -7.314 1.00 0.00 C ATOM 1131 OD1 ASP A 71 0.547 -2.709 -7.391 1.00 0.00 O ATOM 1132 OD2 ASP A 71 1.522 -0.854 -8.052 1.00 0.00 O ATOM 0 H ASP A 71 -1.189 0.786 -7.939 1.00 0.00 H new ATOM 0 HA ASP A 71 -1.954 -1.709 -6.671 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.275 0.359 -6.249 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.124 -1.088 -5.272 1.00 0.00 H new ATOM 1137 N HIS A 72 -2.871 1.097 -5.378 1.00 0.00 N ATOM 1138 CA HIS A 72 -3.523 1.747 -4.244 1.00 0.00 C ATOM 1139 C HIS A 72 -4.947 1.190 -4.060 1.00 0.00 C ATOM 1140 O HIS A 72 -5.692 1.049 -5.039 1.00 0.00 O ATOM 1141 CB HIS A 72 -3.562 3.268 -4.463 1.00 0.00 C ATOM 1142 CG HIS A 72 -4.006 4.000 -3.222 1.00 0.00 C ATOM 1143 ND1 HIS A 72 -5.303 4.234 -2.837 1.00 0.00 N ATOM 1144 CD2 HIS A 72 -3.209 4.367 -2.168 1.00 0.00 C ATOM 1145 CE1 HIS A 72 -5.281 4.686 -1.572 1.00 0.00 C ATOM 1146 NE2 HIS A 72 -4.022 4.823 -1.129 1.00 0.00 N ATOM 0 H HIS A 72 -2.871 1.655 -6.232 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.953 1.540 -3.339 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -2.573 3.618 -4.758 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -4.240 3.500 -5.284 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -6.135 4.090 -3.409 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.131 4.312 -2.146 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -6.162 4.910 -0.988 1.00 0.00 H new ATOM 1154 N LYS A 73 -5.345 0.889 -2.816 1.00 0.00 N ATOM 1155 CA LYS A 73 -6.675 0.347 -2.502 1.00 0.00 C ATOM 1156 C LYS A 73 -7.695 1.428 -2.124 1.00 0.00 C ATOM 1157 O LYS A 73 -7.361 2.476 -1.573 1.00 0.00 O ATOM 1158 CB LYS A 73 -6.578 -0.726 -1.405 1.00 0.00 C ATOM 1159 CG LYS A 73 -5.769 -1.963 -1.835 1.00 0.00 C ATOM 1160 CD LYS A 73 -4.350 -2.017 -1.255 1.00 0.00 C ATOM 1161 CE LYS A 73 -3.739 -3.371 -1.636 1.00 0.00 C ATOM 1162 NZ LYS A 73 -2.444 -3.630 -0.949 1.00 0.00 N ATOM 0 H LYS A 73 -4.752 1.015 -1.996 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.046 -0.114 -3.417 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.118 -0.289 -0.519 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.583 -1.038 -1.121 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.308 -2.860 -1.531 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.706 -1.982 -2.923 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.745 -1.200 -1.649 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.376 -1.901 -0.172 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.443 -4.165 -1.388 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.587 -3.406 -2.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.075 -4.557 -1.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.761 -2.889 -1.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.590 -3.625 0.081 1.00 0.00 H new ATOM 1176 N PHE A 74 -8.969 1.147 -2.376 1.00 0.00 N ATOM 1177 CA PHE A 74 -10.080 2.062 -2.097 1.00 0.00 C ATOM 1178 C PHE A 74 -11.235 1.291 -1.449 1.00 0.00 C ATOM 1179 O PHE A 74 -11.627 0.234 -1.946 1.00 0.00 O ATOM 1180 CB PHE A 74 -10.518 2.747 -3.399 1.00 0.00 C ATOM 1181 CG PHE A 74 -9.550 3.786 -3.941 1.00 0.00 C ATOM 1182 CD1 PHE A 74 -8.441 3.402 -4.723 1.00 0.00 C ATOM 1183 CD2 PHE A 74 -9.771 5.151 -3.676 1.00 0.00 C ATOM 1184 CE1 PHE A 74 -7.561 4.376 -5.228 1.00 0.00 C ATOM 1185 CE2 PHE A 74 -8.886 6.124 -4.171 1.00 0.00 C ATOM 1186 CZ PHE A 74 -7.781 5.735 -4.948 1.00 0.00 C ATOM 0 H PHE A 74 -9.268 0.263 -2.787 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.761 2.835 -1.398 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -10.668 1.982 -4.161 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.483 3.225 -3.232 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.267 2.357 -4.935 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -10.626 5.452 -3.089 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -6.716 4.079 -5.831 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.055 7.169 -3.955 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.101 6.482 -5.330 1.00 0.00 H new ATOM 1196 N MET A 75 -11.750 1.788 -0.316 1.00 0.00 N ATOM 1197 CA MET A 75 -12.764 1.071 0.469 1.00 0.00 C ATOM 1198 C MET A 75 -14.131 1.150 -0.223 1.00 0.00 C ATOM 1199 O MET A 75 -14.734 2.225 -0.328 1.00 0.00 O ATOM 1200 CB MET A 75 -12.829 1.581 1.920 1.00 0.00 C ATOM 1201 CG MET A 75 -13.308 0.474 2.861 1.00 0.00 C ATOM 1202 SD MET A 75 -13.242 0.846 4.641 1.00 0.00 S ATOM 1203 CE MET A 75 -14.547 2.099 4.816 1.00 0.00 C ATOM 0 H MET A 75 -11.479 2.689 0.079 1.00 0.00 H new ATOM 0 HA MET A 75 -12.471 0.022 0.521 1.00 0.00 H new ATOM 0 HB2 MET A 75 -11.845 1.930 2.232 1.00 0.00 H new ATOM 0 HB3 MET A 75 -13.504 2.434 1.981 1.00 0.00 H new ATOM 0 HG2 MET A 75 -14.337 0.225 2.601 1.00 0.00 H new ATOM 0 HG3 MET A 75 -12.708 -0.417 2.675 1.00 0.00 H new ATOM 0 HE1 MET A 75 -14.132 2.994 5.280 1.00 0.00 H new ATOM 0 HE2 MET A 75 -14.943 2.351 3.832 1.00 0.00 H new ATOM 0 HE3 MET A 75 -15.349 1.705 5.440 1.00 0.00 H new ATOM 1213 N THR A 76 -14.610 0.014 -0.726 1.00 0.00 N ATOM 1214 CA THR A 76 -15.916 -0.077 -1.396 1.00 0.00 C ATOM 1215 C THR A 76 -17.080 0.061 -0.418 1.00 0.00 C ATOM 1216 O THR A 76 -16.899 0.066 0.801 1.00 0.00 O ATOM 1217 CB THR A 76 -16.064 -1.383 -2.185 1.00 0.00 C ATOM 1218 OG1 THR A 76 -16.038 -2.492 -1.317 1.00 0.00 O ATOM 1219 CG2 THR A 76 -14.949 -1.507 -3.216 1.00 0.00 C ATOM 0 H THR A 76 -14.107 -0.872 -0.683 1.00 0.00 H new ATOM 0 HA THR A 76 -15.951 0.761 -2.092 1.00 0.00 H new ATOM 0 HB THR A 76 -17.024 -1.364 -2.700 1.00 0.00 H new ATOM 0 HG1 THR A 76 -16.135 -3.317 -1.837 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.067 -2.439 -3.769 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.998 -0.666 -3.908 1.00 0.00 H new ATOM 0 HG23 THR A 76 -13.984 -1.505 -2.710 1.00 0.00 H new ATOM 1227 N VAL A 77 -18.303 0.126 -0.949 1.00 0.00 N ATOM 1228 CA VAL A 77 -19.544 0.158 -0.156 1.00 0.00 C ATOM 1229 C VAL A 77 -19.714 -1.019 0.822 1.00 0.00 C ATOM 1230 O VAL A 77 -20.421 -0.887 1.822 1.00 0.00 O ATOM 1231 CB VAL A 77 -20.794 0.235 -1.053 1.00 0.00 C ATOM 1232 CG1 VAL A 77 -20.865 1.589 -1.762 1.00 0.00 C ATOM 1233 CG2 VAL A 77 -20.853 -0.884 -2.104 1.00 0.00 C ATOM 0 H VAL A 77 -18.466 0.159 -1.955 1.00 0.00 H new ATOM 0 HA VAL A 77 -19.446 1.064 0.442 1.00 0.00 H new ATOM 0 HB VAL A 77 -21.649 0.110 -0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -21.755 1.624 -2.391 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -20.913 2.386 -1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -19.978 1.723 -2.381 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -21.757 -0.773 -2.703 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -19.978 -0.821 -2.752 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -20.866 -1.852 -1.604 1.00 0.00 H new ATOM 1243 N ASP A 78 -19.065 -2.160 0.561 1.00 0.00 N ATOM 1244 CA ASP A 78 -19.072 -3.343 1.438 1.00 0.00 C ATOM 1245 C ASP A 78 -17.911 -3.353 2.455 1.00 0.00 C ATOM 1246 O ASP A 78 -17.864 -4.222 3.330 1.00 0.00 O ATOM 1247 CB ASP A 78 -19.038 -4.610 0.569 1.00 0.00 C ATOM 1248 CG ASP A 78 -20.374 -4.854 -0.148 1.00 0.00 C ATOM 1249 OD1 ASP A 78 -21.393 -5.119 0.536 1.00 0.00 O ATOM 1250 OD2 ASP A 78 -20.405 -4.815 -1.402 1.00 0.00 O ATOM 0 H ASP A 78 -18.508 -2.292 -0.283 1.00 0.00 H new ATOM 0 HA ASP A 78 -19.988 -3.311 2.028 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -18.241 -4.521 -0.170 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -18.799 -5.471 1.193 1.00 0.00 H new ATOM 1255 N GLY A 79 -16.974 -2.403 2.357 1.00 0.00 N ATOM 1256 CA GLY A 79 -15.815 -2.286 3.253 1.00 0.00 C ATOM 1257 C GLY A 79 -14.539 -2.941 2.709 1.00 0.00 C ATOM 1258 O GLY A 79 -13.541 -3.024 3.425 1.00 0.00 O ATOM 0 H GLY A 79 -17.000 -1.679 1.639 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -15.618 -1.230 3.440 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -16.063 -2.739 4.213 1.00 0.00 H new ATOM 1262 N GLN A 80 -14.562 -3.433 1.464 1.00 0.00 N ATOM 1263 CA GLN A 80 -13.452 -4.183 0.866 1.00 0.00 C ATOM 1264 C GLN A 80 -12.326 -3.235 0.421 1.00 0.00 C ATOM 1265 O GLN A 80 -12.564 -2.305 -0.350 1.00 0.00 O ATOM 1266 CB GLN A 80 -13.945 -5.017 -0.331 1.00 0.00 C ATOM 1267 CG GLN A 80 -15.114 -5.959 -0.007 1.00 0.00 C ATOM 1268 CD GLN A 80 -15.463 -6.843 -1.207 1.00 0.00 C ATOM 1269 OE1 GLN A 80 -14.783 -7.815 -1.515 1.00 0.00 O ATOM 1270 NE2 GLN A 80 -16.524 -6.548 -1.934 1.00 0.00 N ATOM 0 H GLN A 80 -15.359 -3.320 0.838 1.00 0.00 H new ATOM 0 HA GLN A 80 -13.055 -4.858 1.625 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -14.250 -4.340 -1.129 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -13.113 -5.608 -0.714 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -14.854 -6.586 0.846 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -15.987 -5.373 0.282 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -17.101 -5.742 -1.691 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -16.768 -7.126 -2.739 1.00 0.00 H new ATOM 1279 N MET A 81 -11.097 -3.490 0.876 1.00 0.00 N ATOM 1280 CA MET A 81 -9.877 -2.786 0.457 1.00 0.00 C ATOM 1281 C MET A 81 -9.253 -3.465 -0.774 1.00 0.00 C ATOM 1282 O MET A 81 -8.294 -4.230 -0.665 1.00 0.00 O ATOM 1283 CB MET A 81 -8.885 -2.625 1.630 1.00 0.00 C ATOM 1284 CG MET A 81 -8.523 -3.904 2.413 1.00 0.00 C ATOM 1285 SD MET A 81 -9.722 -4.485 3.649 1.00 0.00 S ATOM 1286 CE MET A 81 -9.569 -3.154 4.874 1.00 0.00 C ATOM 0 H MET A 81 -10.915 -4.216 1.569 1.00 0.00 H new ATOM 0 HA MET A 81 -10.147 -1.774 0.154 1.00 0.00 H new ATOM 0 HB2 MET A 81 -7.964 -2.193 1.239 1.00 0.00 H new ATOM 0 HB3 MET A 81 -9.303 -1.903 2.332 1.00 0.00 H new ATOM 0 HG2 MET A 81 -8.363 -4.707 1.694 1.00 0.00 H new ATOM 0 HG3 MET A 81 -7.572 -3.734 2.918 1.00 0.00 H new ATOM 0 HE1 MET A 81 -10.040 -3.463 5.807 1.00 0.00 H new ATOM 0 HE2 MET A 81 -8.515 -2.943 5.052 1.00 0.00 H new ATOM 0 HE3 MET A 81 -10.061 -2.256 4.499 1.00 0.00 H new ATOM 1296 N LEU A 82 -9.817 -3.207 -1.958 1.00 0.00 N ATOM 1297 CA LEU A 82 -9.338 -3.775 -3.228 1.00 0.00 C ATOM 1298 C LEU A 82 -8.574 -2.715 -4.044 1.00 0.00 C ATOM 1299 O LEU A 82 -8.932 -1.534 -3.972 1.00 0.00 O ATOM 1300 CB LEU A 82 -10.518 -4.349 -4.042 1.00 0.00 C ATOM 1301 CG LEU A 82 -11.498 -5.244 -3.250 1.00 0.00 C ATOM 1302 CD1 LEU A 82 -12.583 -5.795 -4.177 1.00 0.00 C ATOM 1303 CD2 LEU A 82 -10.809 -6.431 -2.563 1.00 0.00 C ATOM 0 H LEU A 82 -10.625 -2.594 -2.066 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.649 -4.590 -3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.078 -3.519 -4.472 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.116 -4.927 -4.874 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.928 -4.606 -2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -13.266 -6.423 -3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -13.137 -4.968 -4.621 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -12.121 -6.387 -4.967 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.551 -7.020 -2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.326 -7.056 -3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.060 -6.061 -1.862 1.00 0.00 H new ATOM 1315 N PRO A 83 -7.552 -3.104 -4.833 1.00 0.00 N ATOM 1316 CA PRO A 83 -6.864 -2.187 -5.738 1.00 0.00 C ATOM 1317 C PRO A 83 -7.811 -1.707 -6.841 1.00 0.00 C ATOM 1318 O PRO A 83 -8.687 -2.445 -7.293 1.00 0.00 O ATOM 1319 CB PRO A 83 -5.674 -2.964 -6.308 1.00 0.00 C ATOM 1320 CG PRO A 83 -6.107 -4.423 -6.191 1.00 0.00 C ATOM 1321 CD PRO A 83 -7.020 -4.453 -4.965 1.00 0.00 C ATOM 0 HA PRO A 83 -6.523 -1.290 -5.221 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.474 -2.687 -7.343 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -4.762 -2.770 -5.744 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -6.633 -4.754 -7.086 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -5.249 -5.083 -6.063 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -7.823 -5.179 -5.093 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -6.466 -4.744 -4.072 1.00 0.00 H new ATOM 1329 N ILE A 84 -7.627 -0.473 -7.311 1.00 0.00 N ATOM 1330 CA ILE A 84 -8.526 0.148 -8.299 1.00 0.00 C ATOM 1331 C ILE A 84 -8.613 -0.601 -9.646 1.00 0.00 C ATOM 1332 O ILE A 84 -9.657 -0.599 -10.298 1.00 0.00 O ATOM 1333 CB ILE A 84 -8.164 1.641 -8.435 1.00 0.00 C ATOM 1334 CG1 ILE A 84 -9.278 2.345 -9.219 1.00 0.00 C ATOM 1335 CG2 ILE A 84 -6.768 1.866 -9.042 1.00 0.00 C ATOM 1336 CD1 ILE A 84 -9.222 3.864 -9.175 1.00 0.00 C ATOM 0 H ILE A 84 -6.855 0.127 -7.022 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.546 0.069 -7.924 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.098 2.082 -7.440 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.231 2.023 -10.259 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -10.242 2.019 -8.827 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.570 2.936 -9.113 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.015 1.399 -8.407 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.728 1.423 -10.037 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -10.047 4.276 -9.756 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -9.302 4.201 -8.142 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.276 4.206 -9.596 1.00 0.00 H new ATOM 1348 N ASP A 85 -7.546 -1.301 -10.039 1.00 0.00 N ATOM 1349 CA ASP A 85 -7.512 -2.243 -11.174 1.00 0.00 C ATOM 1350 C ASP A 85 -8.551 -3.377 -11.058 1.00 0.00 C ATOM 1351 O ASP A 85 -9.044 -3.877 -12.071 1.00 0.00 O ATOM 1352 CB ASP A 85 -6.093 -2.817 -11.282 1.00 0.00 C ATOM 1353 CG ASP A 85 -5.893 -3.657 -12.556 1.00 0.00 C ATOM 1354 OD1 ASP A 85 -5.871 -3.072 -13.666 1.00 0.00 O ATOM 1355 OD2 ASP A 85 -5.710 -4.893 -12.447 1.00 0.00 O ATOM 0 H ASP A 85 -6.647 -1.229 -9.562 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.778 -1.694 -12.077 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.372 -2.000 -11.273 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.887 -3.434 -10.408 1.00 0.00 H new ATOM 1360 N GLU A 86 -8.929 -3.746 -9.829 1.00 0.00 N ATOM 1361 CA GLU A 86 -10.003 -4.705 -9.548 1.00 0.00 C ATOM 1362 C GLU A 86 -11.384 -4.028 -9.569 1.00 0.00 C ATOM 1363 O GLU A 86 -12.332 -4.595 -10.115 1.00 0.00 O ATOM 1364 CB GLU A 86 -9.765 -5.362 -8.170 1.00 0.00 C ATOM 1365 CG GLU A 86 -9.921 -6.885 -8.185 1.00 0.00 C ATOM 1366 CD GLU A 86 -8.707 -7.578 -8.833 1.00 0.00 C ATOM 1367 OE1 GLU A 86 -7.721 -7.879 -8.116 1.00 0.00 O ATOM 1368 OE2 GLU A 86 -8.737 -7.854 -10.058 1.00 0.00 O ATOM 0 H GLU A 86 -8.488 -3.379 -8.985 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.990 -5.465 -10.329 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.762 -5.111 -7.825 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -10.465 -4.940 -7.449 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -10.045 -7.248 -7.165 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.826 -7.152 -8.730 1.00 0.00 H new ATOM 1375 N ILE A 87 -11.508 -2.811 -9.014 1.00 0.00 N ATOM 1376 CA ILE A 87 -12.785 -2.092 -8.866 1.00 0.00 C ATOM 1377 C ILE A 87 -13.427 -1.830 -10.232 1.00 0.00 C ATOM 1378 O ILE A 87 -14.642 -1.964 -10.382 1.00 0.00 O ATOM 1379 CB ILE A 87 -12.557 -0.782 -8.072 1.00 0.00 C ATOM 1380 CG1 ILE A 87 -12.025 -1.131 -6.662 1.00 0.00 C ATOM 1381 CG2 ILE A 87 -13.836 0.064 -7.966 1.00 0.00 C ATOM 1382 CD1 ILE A 87 -11.699 0.074 -5.778 1.00 0.00 C ATOM 0 H ILE A 87 -10.710 -2.290 -8.649 1.00 0.00 H new ATOM 0 HA ILE A 87 -13.483 -2.712 -8.304 1.00 0.00 H new ATOM 0 HB ILE A 87 -11.825 -0.181 -8.611 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -12.766 -1.747 -6.152 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -11.126 -1.738 -6.769 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -13.626 0.972 -7.401 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -14.180 0.330 -8.965 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -14.610 -0.509 -7.456 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -11.334 -0.272 -4.811 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.933 0.681 -6.259 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -12.598 0.673 -5.633 1.00 0.00 H new ATOM 1394 N PHE A 88 -12.606 -1.518 -11.240 1.00 0.00 N ATOM 1395 CA PHE A 88 -13.074 -1.327 -12.621 1.00 0.00 C ATOM 1396 C PHE A 88 -13.738 -2.582 -13.224 1.00 0.00 C ATOM 1397 O PHE A 88 -14.715 -2.460 -13.966 1.00 0.00 O ATOM 1398 CB PHE A 88 -11.901 -0.849 -13.487 1.00 0.00 C ATOM 1399 CG PHE A 88 -12.295 -0.443 -14.898 1.00 0.00 C ATOM 1400 CD1 PHE A 88 -12.701 0.878 -15.185 1.00 0.00 C ATOM 1401 CD2 PHE A 88 -12.270 -1.401 -15.930 1.00 0.00 C ATOM 1402 CE1 PHE A 88 -13.041 1.243 -16.500 1.00 0.00 C ATOM 1403 CE2 PHE A 88 -12.616 -1.037 -17.244 1.00 0.00 C ATOM 1404 CZ PHE A 88 -12.994 0.287 -17.531 1.00 0.00 C ATOM 0 H PHE A 88 -11.601 -1.391 -11.124 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.857 -0.569 -12.602 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.424 -0.001 -12.997 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.158 -1.644 -13.544 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -12.751 1.610 -14.393 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -11.984 -2.419 -15.712 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -13.338 2.258 -16.718 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.591 -1.774 -18.033 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.248 0.569 -18.542 1.00 0.00 H new ATOM 1414 N GLU A 89 -13.257 -3.790 -12.898 1.00 0.00 N ATOM 1415 CA GLU A 89 -13.833 -5.045 -13.408 1.00 0.00 C ATOM 1416 C GLU A 89 -15.131 -5.443 -12.696 1.00 0.00 C ATOM 1417 O GLU A 89 -16.117 -5.767 -13.366 1.00 0.00 O ATOM 1418 CB GLU A 89 -12.840 -6.206 -13.268 1.00 0.00 C ATOM 1419 CG GLU A 89 -11.764 -6.218 -14.359 1.00 0.00 C ATOM 1420 CD GLU A 89 -11.066 -7.590 -14.419 1.00 0.00 C ATOM 1421 OE1 GLU A 89 -10.786 -8.193 -13.351 1.00 0.00 O ATOM 1422 OE2 GLU A 89 -10.815 -8.086 -15.546 1.00 0.00 O ATOM 0 H GLU A 89 -12.460 -3.926 -12.276 1.00 0.00 H new ATOM 0 HA GLU A 89 -14.056 -4.854 -14.458 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.358 -6.147 -12.292 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -13.387 -7.148 -13.296 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.216 -5.991 -15.325 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.029 -5.438 -14.160 1.00 0.00 H new ATOM 1429 N ARG A 90 -15.156 -5.422 -11.352 1.00 0.00 N ATOM 1430 CA ARG A 90 -16.379 -5.712 -10.588 1.00 0.00 C ATOM 1431 C ARG A 90 -17.439 -4.606 -10.686 1.00 0.00 C ATOM 1432 O ARG A 90 -18.588 -4.846 -10.315 1.00 0.00 O ATOM 1433 CB ARG A 90 -16.045 -6.004 -9.121 1.00 0.00 C ATOM 1434 CG ARG A 90 -15.280 -7.316 -8.891 1.00 0.00 C ATOM 1435 CD ARG A 90 -13.749 -7.204 -8.849 1.00 0.00 C ATOM 1436 NE ARG A 90 -13.085 -7.784 -10.038 1.00 0.00 N ATOM 1437 CZ ARG A 90 -12.906 -9.072 -10.285 1.00 0.00 C ATOM 1438 NH1 ARG A 90 -13.414 -10.002 -9.522 1.00 0.00 N ATOM 1439 NH2 ARG A 90 -12.204 -9.475 -11.304 1.00 0.00 N ATOM 0 H ARG A 90 -14.343 -5.207 -10.774 1.00 0.00 H new ATOM 0 HA ARG A 90 -16.817 -6.600 -11.044 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -15.453 -5.179 -8.725 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -16.973 -6.034 -8.549 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -15.619 -7.751 -7.951 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -15.552 -8.015 -9.682 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.471 -6.154 -8.763 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -13.380 -7.706 -7.955 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.731 -7.128 -10.734 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.969 -9.745 -8.706 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -13.256 -10.985 -9.742 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.778 -8.793 -11.932 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -12.079 -10.473 -11.475 1.00 0.00 H new ATOM 1453 N GLU A 91 -17.074 -3.414 -11.173 1.00 0.00 N ATOM 1454 CA GLU A 91 -17.924 -2.212 -11.188 1.00 0.00 C ATOM 1455 C GLU A 91 -18.440 -1.842 -9.776 1.00 0.00 C ATOM 1456 O GLU A 91 -19.562 -1.355 -9.608 1.00 0.00 O ATOM 1457 CB GLU A 91 -19.040 -2.334 -12.249 1.00 0.00 C ATOM 1458 CG GLU A 91 -18.518 -2.716 -13.645 1.00 0.00 C ATOM 1459 CD GLU A 91 -19.591 -2.546 -14.744 1.00 0.00 C ATOM 1460 OE1 GLU A 91 -20.789 -2.840 -14.507 1.00 0.00 O ATOM 1461 OE2 GLU A 91 -19.238 -2.112 -15.868 1.00 0.00 O ATOM 0 H GLU A 91 -16.153 -3.252 -11.580 1.00 0.00 H new ATOM 0 HA GLU A 91 -17.307 -1.366 -11.491 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -19.762 -3.083 -11.922 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -19.573 -1.385 -12.316 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -17.653 -2.099 -13.888 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -18.177 -3.751 -13.631 1.00 0.00 H new ATOM 1468 N LEU A 92 -17.624 -2.117 -8.747 1.00 0.00 N ATOM 1469 CA LEU A 92 -17.938 -1.812 -7.347 1.00 0.00 C ATOM 1470 C LEU A 92 -17.902 -0.304 -7.080 1.00 0.00 C ATOM 1471 O LEU A 92 -17.021 0.417 -7.553 1.00 0.00 O ATOM 1472 CB LEU A 92 -16.958 -2.544 -6.411 1.00 0.00 C ATOM 1473 CG LEU A 92 -17.275 -4.040 -6.261 1.00 0.00 C ATOM 1474 CD1 LEU A 92 -16.098 -4.780 -5.622 1.00 0.00 C ATOM 1475 CD2 LEU A 92 -18.509 -4.284 -5.389 1.00 0.00 C ATOM 0 H LEU A 92 -16.715 -2.564 -8.868 1.00 0.00 H new ATOM 0 HA LEU A 92 -18.951 -2.161 -7.147 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -15.944 -2.430 -6.794 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -16.982 -2.073 -5.428 1.00 0.00 H new ATOM 0 HG LEU A 92 -17.466 -4.414 -7.267 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -16.343 -5.838 -5.525 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -15.214 -4.668 -6.250 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -15.898 -4.362 -4.636 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -18.694 -5.355 -5.312 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -18.339 -3.873 -4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -19.375 -3.798 -5.839 1.00 0.00 H new ATOM 1487 N ASP A 93 -18.850 0.165 -6.275 1.00 0.00 N ATOM 1488 CA ASP A 93 -18.940 1.566 -5.867 1.00 0.00 C ATOM 1489 C ASP A 93 -18.102 1.823 -4.600 1.00 0.00 C ATOM 1490 O ASP A 93 -17.999 0.959 -3.723 1.00 0.00 O ATOM 1491 CB ASP A 93 -20.412 1.922 -5.619 1.00 0.00 C ATOM 1492 CG ASP A 93 -21.337 1.490 -6.775 1.00 0.00 C ATOM 1493 OD1 ASP A 93 -21.192 2.001 -7.910 1.00 0.00 O ATOM 1494 OD2 ASP A 93 -22.232 0.643 -6.536 1.00 0.00 O ATOM 0 H ASP A 93 -19.586 -0.422 -5.882 1.00 0.00 H new ATOM 0 HA ASP A 93 -18.541 2.197 -6.662 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -20.745 1.446 -4.697 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -20.501 2.998 -5.472 1.00 0.00 H new ATOM 1499 N LEU A 94 -17.517 3.017 -4.474 1.00 0.00 N ATOM 1500 CA LEU A 94 -16.880 3.481 -3.239 1.00 0.00 C ATOM 1501 C LEU A 94 -17.918 3.982 -2.222 1.00 0.00 C ATOM 1502 O LEU A 94 -19.002 4.448 -2.584 1.00 0.00 O ATOM 1503 CB LEU A 94 -15.855 4.577 -3.565 1.00 0.00 C ATOM 1504 CG LEU A 94 -14.540 4.000 -4.120 1.00 0.00 C ATOM 1505 CD1 LEU A 94 -14.620 3.533 -5.575 1.00 0.00 C ATOM 1506 CD2 LEU A 94 -13.457 5.067 -3.989 1.00 0.00 C ATOM 0 H LEU A 94 -17.472 3.696 -5.234 1.00 0.00 H new ATOM 0 HA LEU A 94 -16.364 2.638 -2.780 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -16.283 5.266 -4.293 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -15.645 5.154 -2.665 1.00 0.00 H new ATOM 0 HG LEU A 94 -14.312 3.109 -3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -13.651 3.141 -5.885 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -15.374 2.751 -5.665 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -14.892 4.374 -6.213 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -12.515 4.679 -4.377 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -13.747 5.951 -4.557 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -13.335 5.334 -2.939 1.00 0.00 H new ATOM 1518 N MET A 95 -17.577 3.908 -0.931 1.00 0.00 N ATOM 1519 CA MET A 95 -18.395 4.495 0.135 1.00 0.00 C ATOM 1520 C MET A 95 -18.291 6.038 0.121 1.00 0.00 C ATOM 1521 O MET A 95 -17.246 6.575 -0.245 1.00 0.00 O ATOM 1522 CB MET A 95 -17.956 3.890 1.479 1.00 0.00 C ATOM 1523 CG MET A 95 -19.086 3.928 2.513 1.00 0.00 C ATOM 1524 SD MET A 95 -18.698 3.162 4.115 1.00 0.00 S ATOM 1525 CE MET A 95 -18.345 1.450 3.633 1.00 0.00 C ATOM 0 H MET A 95 -16.733 3.443 -0.598 1.00 0.00 H new ATOM 0 HA MET A 95 -19.447 4.259 -0.024 1.00 0.00 H new ATOM 0 HB2 MET A 95 -17.636 2.859 1.327 1.00 0.00 H new ATOM 0 HB3 MET A 95 -17.095 4.438 1.861 1.00 0.00 H new ATOM 0 HG2 MET A 95 -19.365 4.968 2.684 1.00 0.00 H new ATOM 0 HG3 MET A 95 -19.959 3.429 2.092 1.00 0.00 H new ATOM 0 HE1 MET A 95 -18.337 0.817 4.520 1.00 0.00 H new ATOM 0 HE2 MET A 95 -19.114 1.100 2.944 1.00 0.00 H new ATOM 0 HE3 MET A 95 -17.371 1.403 3.145 1.00 0.00 H new ATOM 1535 N ARG A 96 -19.357 6.744 0.533 1.00 0.00 N ATOM 1536 CA ARG A 96 -19.417 8.223 0.616 1.00 0.00 C ATOM 1537 C ARG A 96 -19.850 8.752 1.992 1.00 0.00 C ATOM 1538 O ARG A 96 -20.368 8.005 2.823 1.00 0.00 O ATOM 1539 CB ARG A 96 -20.272 8.814 -0.527 1.00 0.00 C ATOM 1540 CG ARG A 96 -21.703 8.277 -0.653 1.00 0.00 C ATOM 1541 CD ARG A 96 -21.795 6.968 -1.452 1.00 0.00 C ATOM 1542 NE ARG A 96 -22.004 5.783 -0.584 1.00 0.00 N ATOM 1543 CZ ARG A 96 -23.080 5.496 0.136 1.00 0.00 C ATOM 1544 NH1 ARG A 96 -24.145 6.240 0.124 1.00 0.00 N ATOM 1545 NH2 ARG A 96 -23.116 4.407 0.851 1.00 0.00 N ATOM 0 H ARG A 96 -20.225 6.296 0.826 1.00 0.00 H new ATOM 0 HA ARG A 96 -18.392 8.572 0.487 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -20.323 9.895 -0.393 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -19.755 8.634 -1.469 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -22.111 8.115 0.344 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -22.326 9.032 -1.133 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -22.615 7.040 -2.166 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -20.880 6.834 -2.029 1.00 0.00 H new ATOM 0 HE ARG A 96 -21.235 5.115 -0.536 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -24.174 7.080 -0.454 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -24.952 5.984 0.693 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -22.316 3.774 0.857 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -23.944 4.187 1.404 1.00 0.00 H new ATOM 1559 N VAL A 97 -19.674 10.066 2.191 1.00 0.00 N ATOM 1560 CA VAL A 97 -20.029 10.813 3.426 1.00 0.00 C ATOM 1561 C VAL A 97 -21.078 11.915 3.189 1.00 0.00 C ATOM 1562 O VAL A 97 -21.824 12.268 4.103 1.00 0.00 O ATOM 1563 CB VAL A 97 -18.786 11.394 4.146 1.00 0.00 C ATOM 1564 CG1 VAL A 97 -17.625 10.394 4.217 1.00 0.00 C ATOM 1565 CG2 VAL A 97 -18.266 12.700 3.528 1.00 0.00 C ATOM 0 H VAL A 97 -19.266 10.668 1.476 1.00 0.00 H new ATOM 0 HA VAL A 97 -20.483 10.071 4.083 1.00 0.00 H new ATOM 0 HB VAL A 97 -19.146 11.610 5.152 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -16.780 10.853 4.731 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -17.943 9.506 4.763 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -17.325 10.112 3.208 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -17.395 13.045 4.086 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -17.985 12.525 2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -19.048 13.459 3.570 1.00 0.00 H new ATOM 1575 N ASP A 98 -21.187 12.413 1.950 1.00 0.00 N ATOM 1576 CA ASP A 98 -22.168 13.431 1.531 1.00 0.00 C ATOM 1577 C ASP A 98 -23.500 12.814 1.053 1.00 0.00 C ATOM 1578 O ASP A 98 -24.398 13.540 0.620 1.00 0.00 O ATOM 1579 CB ASP A 98 -21.541 14.336 0.448 1.00 0.00 C ATOM 1580 CG ASP A 98 -20.692 15.500 0.999 1.00 0.00 C ATOM 1581 OD1 ASP A 98 -20.410 15.570 2.220 1.00 0.00 O ATOM 1582 OD2 ASP A 98 -20.321 16.391 0.194 1.00 0.00 O ATOM 0 H ASP A 98 -20.579 12.112 1.188 1.00 0.00 H new ATOM 0 HA ASP A 98 -22.418 14.036 2.403 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -20.916 13.723 -0.202 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -22.339 14.746 -0.171 1.00 0.00 H new ATOM 1587 N ASN A 99 -23.666 11.482 1.166 1.00 0.00 N ATOM 1588 CA ASN A 99 -24.884 10.730 0.778 1.00 0.00 C ATOM 1589 C ASN A 99 -25.155 10.797 -0.736 1.00 0.00 C ATOM 1590 O ASN A 99 -26.271 10.554 -1.208 1.00 0.00 O ATOM 1591 CB ASN A 99 -26.107 11.114 1.643 1.00 0.00 C ATOM 1592 CG ASN A 99 -25.707 11.352 3.082 1.00 0.00 C ATOM 1593 OD1 ASN A 99 -25.568 10.439 3.886 1.00 0.00 O ATOM 1594 ND2 ASN A 99 -25.384 12.584 3.398 1.00 0.00 N ATOM 0 H ASN A 99 -22.935 10.877 1.541 1.00 0.00 H new ATOM 0 HA ASN A 99 -24.692 9.679 0.992 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -26.573 12.013 1.239 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -26.852 10.320 1.597 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -25.011 12.792 4.324 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -25.506 13.334 2.717 1.00 0.00 H new ATOM 1601 N LEU A 100 -24.096 11.129 -1.480 1.00 0.00 N ATOM 1602 CA LEU A 100 -24.024 11.045 -2.947 1.00 0.00 C ATOM 1603 C LEU A 100 -24.495 9.666 -3.474 1.00 0.00 C ATOM 1604 O LEU A 100 -24.427 8.668 -2.743 1.00 0.00 O ATOM 1605 CB LEU A 100 -22.572 11.329 -3.393 1.00 0.00 C ATOM 1606 CG LEU A 100 -22.132 12.801 -3.294 1.00 0.00 C ATOM 1607 CD1 LEU A 100 -20.634 12.903 -3.579 1.00 0.00 C ATOM 1608 CD2 LEU A 100 -22.866 13.694 -4.297 1.00 0.00 C ATOM 0 H LEU A 100 -23.232 11.477 -1.065 1.00 0.00 H new ATOM 0 HA LEU A 100 -24.698 11.790 -3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -21.898 10.723 -2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -22.455 11.000 -4.426 1.00 0.00 H new ATOM 0 HG LEU A 100 -22.371 13.141 -2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -20.320 13.945 -3.509 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -20.084 12.309 -2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -20.428 12.528 -4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -22.522 14.722 -4.189 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -22.661 13.348 -5.310 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -23.938 13.649 -4.108 1.00 0.00 H new ATOM 1620 N PRO A 101 -24.937 9.573 -4.744 1.00 0.00 N ATOM 1621 CA PRO A 101 -25.337 8.303 -5.349 1.00 0.00 C ATOM 1622 C PRO A 101 -24.138 7.349 -5.450 1.00 0.00 C ATOM 1623 O PRO A 101 -23.006 7.780 -5.679 1.00 0.00 O ATOM 1624 CB PRO A 101 -25.917 8.671 -6.720 1.00 0.00 C ATOM 1625 CG PRO A 101 -25.235 9.993 -7.070 1.00 0.00 C ATOM 1626 CD PRO A 101 -25.020 10.658 -5.711 1.00 0.00 C ATOM 0 HA PRO A 101 -26.077 7.770 -4.751 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -25.702 7.903 -7.463 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -27.001 8.780 -6.678 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -24.291 9.832 -7.591 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -25.858 10.605 -7.722 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -24.108 11.254 -5.708 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -25.842 11.332 -5.472 1.00 0.00 H new ATOM 1634 N ASN A 102 -24.372 6.044 -5.284 1.00 0.00 N ATOM 1635 CA ASN A 102 -23.327 5.026 -5.432 1.00 0.00 C ATOM 1636 C ASN A 102 -22.890 4.923 -6.907 1.00 0.00 C ATOM 1637 O ASN A 102 -23.715 4.636 -7.783 1.00 0.00 O ATOM 1638 CB ASN A 102 -23.833 3.677 -4.900 1.00 0.00 C ATOM 1639 CG ASN A 102 -24.119 3.681 -3.411 1.00 0.00 C ATOM 1640 OD1 ASN A 102 -25.250 3.519 -2.976 1.00 0.00 O ATOM 1641 ND2 ASN A 102 -23.119 3.858 -2.573 1.00 0.00 N ATOM 0 H ASN A 102 -25.288 5.664 -5.044 1.00 0.00 H new ATOM 0 HA ASN A 102 -22.454 5.315 -4.846 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -24.742 3.402 -5.435 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -23.091 2.909 -5.117 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -23.290 3.859 -1.568 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -22.173 3.994 -2.929 1.00 0.00 H new ATOM 1648 N ILE A 103 -21.602 5.167 -7.169 1.00 0.00 N ATOM 1649 CA ILE A 103 -21.002 5.216 -8.512 1.00 0.00 C ATOM 1650 C ILE A 103 -19.567 4.669 -8.510 1.00 0.00 C ATOM 1651 O ILE A 103 -18.887 4.636 -7.477 1.00 0.00 O ATOM 1652 CB ILE A 103 -21.041 6.649 -9.104 1.00 0.00 C ATOM 1653 CG1 ILE A 103 -20.444 7.694 -8.135 1.00 0.00 C ATOM 1654 CG2 ILE A 103 -22.469 7.012 -9.551 1.00 0.00 C ATOM 1655 CD1 ILE A 103 -20.458 9.128 -8.668 1.00 0.00 C ATOM 0 H ILE A 103 -20.923 5.342 -6.429 1.00 0.00 H new ATOM 0 HA ILE A 103 -21.606 4.573 -9.152 1.00 0.00 H new ATOM 0 HB ILE A 103 -20.405 6.664 -9.989 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -20.999 7.662 -7.198 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -19.416 7.414 -7.906 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -22.476 8.021 -9.963 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -22.802 6.307 -10.312 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -23.141 6.966 -8.694 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -20.021 9.796 -7.926 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -19.877 9.180 -9.589 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -21.485 9.431 -8.870 1.00 0.00 H new ATOM 1667 N LYS A 104 -19.103 4.283 -9.705 1.00 0.00 N ATOM 1668 CA LYS A 104 -17.796 3.673 -9.973 1.00 0.00 C ATOM 1669 C LYS A 104 -17.041 4.404 -11.087 1.00 0.00 C ATOM 1670 O LYS A 104 -17.527 5.391 -11.642 1.00 0.00 O ATOM 1671 CB LYS A 104 -17.995 2.157 -10.211 1.00 0.00 C ATOM 1672 CG LYS A 104 -18.833 1.711 -11.428 1.00 0.00 C ATOM 1673 CD LYS A 104 -18.133 1.884 -12.787 1.00 0.00 C ATOM 1674 CE LYS A 104 -18.794 1.122 -13.947 1.00 0.00 C ATOM 1675 NZ LYS A 104 -20.202 1.539 -14.196 1.00 0.00 N ATOM 0 H LYS A 104 -19.658 4.394 -10.554 1.00 0.00 H new ATOM 0 HA LYS A 104 -17.143 3.780 -9.107 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -17.008 1.703 -10.302 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -18.458 1.738 -9.317 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -19.101 0.662 -11.303 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -19.764 2.278 -11.439 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -18.106 2.945 -13.035 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -17.099 1.552 -12.694 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -18.210 1.277 -14.854 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -18.771 0.054 -13.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -20.592 0.990 -14.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -20.771 1.367 -13.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -20.228 2.552 -14.431 1.00 0.00 H new ATOM 1689 N ILE A 105 -15.844 3.911 -11.400 1.00 0.00 N ATOM 1690 CA ILE A 105 -14.935 4.450 -12.424 1.00 0.00 C ATOM 1691 C ILE A 105 -15.632 4.505 -13.801 1.00 0.00 C ATOM 1692 O ILE A 105 -15.922 3.473 -14.410 1.00 0.00 O ATOM 1693 CB ILE A 105 -13.659 3.582 -12.500 1.00 0.00 C ATOM 1694 CG1 ILE A 105 -12.953 3.350 -11.144 1.00 0.00 C ATOM 1695 CG2 ILE A 105 -12.657 4.203 -13.489 1.00 0.00 C ATOM 1696 CD1 ILE A 105 -12.240 2.002 -11.094 1.00 0.00 C ATOM 0 H ILE A 105 -15.460 3.091 -10.931 1.00 0.00 H new ATOM 0 HA ILE A 105 -14.658 5.467 -12.145 1.00 0.00 H new ATOM 0 HB ILE A 105 -13.997 2.603 -12.840 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -12.232 4.148 -10.970 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -13.687 3.402 -10.340 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -11.761 3.584 -13.536 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -13.110 4.260 -14.479 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -12.389 5.205 -13.154 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -11.758 1.881 -10.124 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -12.965 1.201 -11.241 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.487 1.959 -11.881 1.00 0.00 H new ATOM 1708 N ALA A 106 -15.913 5.712 -14.283 1.00 0.00 N ATOM 1709 CA ALA A 106 -16.603 5.962 -15.553 1.00 0.00 C ATOM 1710 C ALA A 106 -15.710 5.663 -16.771 1.00 0.00 C ATOM 1711 O ALA A 106 -16.165 5.079 -17.759 1.00 0.00 O ATOM 1712 CB ALA A 106 -17.054 7.427 -15.572 1.00 0.00 C ATOM 0 H ALA A 106 -15.662 6.569 -13.791 1.00 0.00 H new ATOM 0 HA ALA A 106 -17.460 5.292 -15.624 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -17.570 7.637 -16.509 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -17.729 7.611 -14.736 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -16.183 8.077 -15.485 1.00 0.00 H new ATOM 1718 N THR A 107 -14.436 6.050 -16.676 1.00 0.00 N ATOM 1719 CA THR A 107 -13.405 5.919 -17.724 1.00 0.00 C ATOM 1720 C THR A 107 -12.010 5.766 -17.107 1.00 0.00 C ATOM 1721 O THR A 107 -11.798 6.083 -15.932 1.00 0.00 O ATOM 1722 CB THR A 107 -13.387 7.137 -18.680 1.00 0.00 C ATOM 1723 OG1 THR A 107 -13.574 8.355 -17.990 1.00 0.00 O ATOM 1724 CG2 THR A 107 -14.471 7.064 -19.755 1.00 0.00 C ATOM 0 H THR A 107 -14.072 6.485 -15.828 1.00 0.00 H new ATOM 0 HA THR A 107 -13.662 5.026 -18.294 1.00 0.00 H new ATOM 0 HB THR A 107 -12.402 7.105 -19.145 1.00 0.00 H new ATOM 0 HG1 THR A 107 -13.554 9.099 -18.628 1.00 0.00 H new ATOM 0 HG21 THR A 107 -14.409 7.944 -20.395 1.00 0.00 H new ATOM 0 HG22 THR A 107 -14.326 6.167 -20.357 1.00 0.00 H new ATOM 0 HG23 THR A 107 -15.452 7.028 -19.281 1.00 0.00 H new ATOM 1732 N ARG A 108 -11.048 5.281 -17.908 1.00 0.00 N ATOM 1733 CA ARG A 108 -9.643 5.092 -17.509 1.00 0.00 C ATOM 1734 C ARG A 108 -8.681 5.532 -18.615 1.00 0.00 C ATOM 1735 O ARG A 108 -8.948 5.317 -19.801 1.00 0.00 O ATOM 1736 CB ARG A 108 -9.415 3.608 -17.151 1.00 0.00 C ATOM 1737 CG ARG A 108 -8.170 3.406 -16.271 1.00 0.00 C ATOM 1738 CD ARG A 108 -8.444 3.819 -14.819 1.00 0.00 C ATOM 1739 NE ARG A 108 -8.739 2.636 -13.992 1.00 0.00 N ATOM 1740 CZ ARG A 108 -7.902 1.993 -13.203 1.00 0.00 C ATOM 1741 NH1 ARG A 108 -6.671 2.383 -13.026 1.00 0.00 N ATOM 1742 NH2 ARG A 108 -8.286 0.923 -12.577 1.00 0.00 N ATOM 0 H ARG A 108 -11.229 5.003 -18.873 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.440 5.716 -16.638 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -10.292 3.223 -16.630 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -9.308 3.028 -18.067 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.865 2.360 -16.303 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -7.341 3.992 -16.668 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.579 4.346 -14.415 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -9.284 4.513 -14.785 1.00 0.00 H new ATOM 0 HE ARG A 108 -9.693 2.276 -14.035 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -6.325 3.213 -13.507 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -6.054 1.858 -12.407 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -9.238 0.577 -12.695 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.635 0.428 -11.967 1.00 0.00 H new ATOM 1756 N LYS A 109 -7.543 6.107 -18.211 1.00 0.00 N ATOM 1757 CA LYS A 109 -6.434 6.523 -19.091 1.00 0.00 C ATOM 1758 C LYS A 109 -5.123 6.593 -18.304 1.00 0.00 C ATOM 1759 O LYS A 109 -5.066 7.244 -17.262 1.00 0.00 O ATOM 1760 CB LYS A 109 -6.810 7.883 -19.716 1.00 0.00 C ATOM 1761 CG LYS A 109 -5.789 8.396 -20.746 1.00 0.00 C ATOM 1762 CD LYS A 109 -6.400 9.481 -21.655 1.00 0.00 C ATOM 1763 CE LYS A 109 -7.371 8.918 -22.712 1.00 0.00 C ATOM 1764 NZ LYS A 109 -6.657 8.285 -23.858 1.00 0.00 N ATOM 0 H LYS A 109 -7.358 6.305 -17.228 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.277 5.795 -19.887 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -7.784 7.794 -20.197 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -6.913 8.622 -18.921 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -4.920 8.801 -20.228 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -5.437 7.564 -21.356 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -6.928 10.207 -21.037 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -5.596 10.017 -22.160 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -8.026 8.183 -22.245 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -8.007 9.722 -23.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -7.351 7.922 -24.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -6.051 8.991 -24.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -6.070 7.500 -23.510 1.00 0.00 H new ATOM 1778 N TYR A 110 -4.068 5.926 -18.774 1.00 0.00 N ATOM 1779 CA TYR A 110 -2.726 6.070 -18.193 1.00 0.00 C ATOM 1780 C TYR A 110 -2.216 7.509 -18.382 1.00 0.00 C ATOM 1781 O TYR A 110 -2.164 8.005 -19.512 1.00 0.00 O ATOM 1782 CB TYR A 110 -1.752 5.062 -18.823 1.00 0.00 C ATOM 1783 CG TYR A 110 -0.326 5.175 -18.304 1.00 0.00 C ATOM 1784 CD1 TYR A 110 -0.077 5.176 -16.918 1.00 0.00 C ATOM 1785 CD2 TYR A 110 0.749 5.315 -19.203 1.00 0.00 C ATOM 1786 CE1 TYR A 110 1.232 5.335 -16.431 1.00 0.00 C ATOM 1787 CE2 TYR A 110 2.066 5.444 -18.718 1.00 0.00 C ATOM 1788 CZ TYR A 110 2.312 5.450 -17.329 1.00 0.00 C ATOM 1789 OH TYR A 110 3.582 5.600 -16.868 1.00 0.00 O ATOM 0 H TYR A 110 -4.114 5.277 -19.559 1.00 0.00 H new ATOM 0 HA TYR A 110 -2.786 5.861 -17.125 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -2.118 4.052 -18.635 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -1.747 5.203 -19.904 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -0.896 5.054 -16.225 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.564 5.324 -20.267 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.410 5.369 -15.366 1.00 0.00 H new ATOM 0 HE2 TYR A 110 2.889 5.538 -19.411 1.00 0.00 H new ATOM 0 HH TYR A 110 4.200 5.663 -17.626 1.00 0.00 H new ATOM 1799 N LEU A 111 -1.860 8.189 -17.286 1.00 0.00 N ATOM 1800 CA LEU A 111 -1.414 9.588 -17.329 1.00 0.00 C ATOM 1801 C LEU A 111 0.100 9.696 -17.499 1.00 0.00 C ATOM 1802 O LEU A 111 0.583 10.542 -18.256 1.00 0.00 O ATOM 1803 CB LEU A 111 -1.805 10.277 -16.017 1.00 0.00 C ATOM 1804 CG LEU A 111 -3.318 10.408 -15.836 1.00 0.00 C ATOM 1805 CD1 LEU A 111 -3.603 10.725 -14.378 1.00 0.00 C ATOM 1806 CD2 LEU A 111 -3.908 11.513 -16.713 1.00 0.00 C ATOM 0 H LEU A 111 -1.872 7.788 -16.348 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.892 10.065 -18.184 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.392 9.713 -15.180 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.354 11.269 -15.986 1.00 0.00 H new ATOM 0 HG LEU A 111 -3.781 9.467 -16.134 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.679 10.822 -14.230 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.222 9.920 -13.749 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.114 11.660 -14.107 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.984 11.570 -16.552 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.451 12.468 -16.452 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.710 11.290 -17.761 1.00 0.00 H new ATOM 1818 N GLY A 112 0.838 8.857 -16.770 1.00 0.00 N ATOM 1819 CA GLY A 112 2.294 8.890 -16.719 1.00 0.00 C ATOM 1820 C GLY A 112 2.848 8.543 -15.337 1.00 0.00 C ATOM 1821 O GLY A 112 2.396 7.607 -14.677 1.00 0.00 O ATOM 0 H GLY A 112 0.430 8.124 -16.190 1.00 0.00 H new ATOM 0 HA2 GLY A 112 2.694 8.189 -17.452 1.00 0.00 H new ATOM 0 HA3 GLY A 112 2.640 9.883 -17.005 1.00 0.00 H new ATOM 1825 N LYS A 113 3.841 9.314 -14.893 1.00 0.00 N ATOM 1826 CA LYS A 113 4.677 9.010 -13.716 1.00 0.00 C ATOM 1827 C LYS A 113 4.856 10.211 -12.779 1.00 0.00 C ATOM 1828 O LYS A 113 5.860 10.926 -12.797 1.00 0.00 O ATOM 1829 CB LYS A 113 6.012 8.431 -14.192 1.00 0.00 C ATOM 1830 CG LYS A 113 6.587 7.452 -13.163 1.00 0.00 C ATOM 1831 CD LYS A 113 8.066 7.171 -13.465 1.00 0.00 C ATOM 1832 CE LYS A 113 8.683 6.153 -12.500 1.00 0.00 C ATOM 1833 NZ LYS A 113 8.253 4.757 -12.791 1.00 0.00 N ATOM 0 H LYS A 113 4.098 10.190 -15.348 1.00 0.00 H new ATOM 0 HA LYS A 113 4.162 8.265 -13.109 1.00 0.00 H new ATOM 0 HB2 LYS A 113 5.872 7.921 -15.145 1.00 0.00 H new ATOM 0 HB3 LYS A 113 6.722 9.240 -14.365 1.00 0.00 H new ATOM 0 HG2 LYS A 113 6.486 7.867 -12.160 1.00 0.00 H new ATOM 0 HG3 LYS A 113 6.021 6.520 -13.181 1.00 0.00 H new ATOM 0 HD2 LYS A 113 8.160 6.801 -14.486 1.00 0.00 H new ATOM 0 HD3 LYS A 113 8.627 8.104 -13.411 1.00 0.00 H new ATOM 0 HE2 LYS A 113 9.770 6.214 -12.558 1.00 0.00 H new ATOM 0 HE3 LYS A 113 8.404 6.410 -11.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 8.698 4.108 -12.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 7.218 4.688 -12.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 8.542 4.499 -13.756 1.00 0.00 H new ATOM 1847 N GLN A 114 3.816 10.461 -11.998 1.00 0.00 N ATOM 1848 CA GLN A 114 3.657 11.649 -11.150 1.00 0.00 C ATOM 1849 C GLN A 114 4.125 11.365 -9.721 1.00 0.00 C ATOM 1850 O GLN A 114 4.128 10.220 -9.260 1.00 0.00 O ATOM 1851 CB GLN A 114 2.194 12.123 -11.162 1.00 0.00 C ATOM 1852 CG GLN A 114 1.683 11.957 -12.592 1.00 0.00 C ATOM 1853 CD GLN A 114 0.411 12.660 -12.956 1.00 0.00 C ATOM 1854 OE1 GLN A 114 -0.376 13.160 -12.159 1.00 0.00 O ATOM 1855 NE2 GLN A 114 0.200 12.680 -14.245 1.00 0.00 N ATOM 0 H GLN A 114 3.025 9.821 -11.930 1.00 0.00 H new ATOM 0 HA GLN A 114 4.281 12.446 -11.555 1.00 0.00 H new ATOM 0 HB2 GLN A 114 1.593 11.537 -10.467 1.00 0.00 H new ATOM 0 HB3 GLN A 114 2.123 13.164 -10.845 1.00 0.00 H new ATOM 0 HG2 GLN A 114 2.464 12.301 -13.271 1.00 0.00 H new ATOM 0 HG3 GLN A 114 1.544 10.892 -12.779 1.00 0.00 H new ATOM 0 HE21 GLN A 114 0.876 12.254 -14.879 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -0.641 13.121 -14.617 1.00 0.00 H new ATOM 1864 N ASN A 115 4.480 12.417 -8.989 1.00 0.00 N ATOM 1865 CA ASN A 115 4.741 12.352 -7.571 1.00 0.00 C ATOM 1866 C ASN A 115 3.481 11.909 -6.811 1.00 0.00 C ATOM 1867 O ASN A 115 2.464 12.608 -6.830 1.00 0.00 O ATOM 1868 CB ASN A 115 5.262 13.728 -7.111 1.00 0.00 C ATOM 1869 CG ASN A 115 6.322 13.579 -6.047 1.00 0.00 C ATOM 1870 OD1 ASN A 115 7.379 14.196 -6.092 1.00 0.00 O ATOM 1871 ND2 ASN A 115 6.111 12.714 -5.084 1.00 0.00 N ATOM 0 H ASN A 115 4.594 13.352 -9.381 1.00 0.00 H new ATOM 0 HA ASN A 115 5.504 11.605 -7.353 1.00 0.00 H new ATOM 0 HB2 ASN A 115 5.672 14.269 -7.964 1.00 0.00 H new ATOM 0 HB3 ASN A 115 4.435 14.323 -6.724 1.00 0.00 H new ATOM 0 HD21 ASN A 115 6.827 12.556 -4.374 1.00 0.00 H new ATOM 0 HD22 ASN A 115 5.231 12.199 -5.045 1.00 0.00 H new ATOM 1878 N VAL A 116 3.564 10.764 -6.127 1.00 0.00 N ATOM 1879 CA VAL A 116 2.461 10.240 -5.310 1.00 0.00 C ATOM 1880 C VAL A 116 2.895 10.023 -3.856 1.00 0.00 C ATOM 1881 O VAL A 116 4.071 9.787 -3.563 1.00 0.00 O ATOM 1882 CB VAL A 116 1.828 8.987 -5.948 1.00 0.00 C ATOM 1883 CG1 VAL A 116 1.110 9.311 -7.260 1.00 0.00 C ATOM 1884 CG2 VAL A 116 2.831 7.870 -6.256 1.00 0.00 C ATOM 0 H VAL A 116 4.396 10.174 -6.123 1.00 0.00 H new ATOM 0 HA VAL A 116 1.674 10.994 -5.283 1.00 0.00 H new ATOM 0 HB VAL A 116 1.127 8.639 -5.189 1.00 0.00 H new ATOM 0 HG11 VAL A 116 0.679 8.399 -7.674 1.00 0.00 H new ATOM 0 HG12 VAL A 116 0.316 10.034 -7.072 1.00 0.00 H new ATOM 0 HG13 VAL A 116 1.822 9.731 -7.970 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.308 7.024 -6.703 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.584 8.239 -6.952 1.00 0.00 H new ATOM 0 HG23 VAL A 116 3.315 7.551 -5.333 1.00 0.00 H new ATOM 1894 N TYR A 117 1.929 10.124 -2.944 1.00 0.00 N ATOM 1895 CA TYR A 117 2.123 10.191 -1.495 1.00 0.00 C ATOM 1896 C TYR A 117 1.065 9.361 -0.747 1.00 0.00 C ATOM 1897 O TYR A 117 -0.018 9.093 -1.277 1.00 0.00 O ATOM 1898 CB TYR A 117 2.002 11.661 -1.062 1.00 0.00 C ATOM 1899 CG TYR A 117 2.699 12.685 -1.943 1.00 0.00 C ATOM 1900 CD1 TYR A 117 2.008 13.256 -3.033 1.00 0.00 C ATOM 1901 CD2 TYR A 117 4.021 13.081 -1.666 1.00 0.00 C ATOM 1902 CE1 TYR A 117 2.628 14.241 -3.824 1.00 0.00 C ATOM 1903 CE2 TYR A 117 4.642 14.072 -2.450 1.00 0.00 C ATOM 1904 CZ TYR A 117 3.937 14.670 -3.521 1.00 0.00 C ATOM 1905 OH TYR A 117 4.515 15.654 -4.261 1.00 0.00 O ATOM 0 H TYR A 117 0.944 10.163 -3.207 1.00 0.00 H new ATOM 0 HA TYR A 117 3.105 9.786 -1.252 1.00 0.00 H new ATOM 0 HB2 TYR A 117 0.944 11.917 -1.013 1.00 0.00 H new ATOM 0 HB3 TYR A 117 2.399 11.753 -0.051 1.00 0.00 H new ATOM 0 HD1 TYR A 117 1.002 12.937 -3.260 1.00 0.00 H new ATOM 0 HD2 TYR A 117 4.560 12.623 -0.850 1.00 0.00 H new ATOM 0 HE1 TYR A 117 2.101 14.669 -4.664 1.00 0.00 H new ATOM 0 HE2 TYR A 117 5.656 14.375 -2.234 1.00 0.00 H new ATOM 0 HH TYR A 117 5.417 15.832 -3.921 1.00 0.00 H new ATOM 1915 N ASP A 118 1.350 8.981 0.498 1.00 0.00 N ATOM 1916 CA ASP A 118 0.426 8.257 1.373 1.00 0.00 C ATOM 1917 C ASP A 118 0.754 8.508 2.857 1.00 0.00 C ATOM 1918 O ASP A 118 1.909 8.468 3.279 1.00 0.00 O ATOM 1919 CB ASP A 118 0.409 6.753 1.034 1.00 0.00 C ATOM 1920 CG ASP A 118 1.731 6.007 1.307 1.00 0.00 C ATOM 1921 OD1 ASP A 118 2.683 6.119 0.498 1.00 0.00 O ATOM 1922 OD2 ASP A 118 1.781 5.225 2.291 1.00 0.00 O ATOM 0 H ASP A 118 2.251 9.172 0.937 1.00 0.00 H new ATOM 0 HA ASP A 118 -0.579 8.641 1.197 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -0.385 6.276 1.608 1.00 0.00 H new ATOM 0 HB3 ASP A 118 0.155 6.636 -0.019 1.00 0.00 H new ATOM 1927 N ILE A 119 -0.275 8.786 3.662 1.00 0.00 N ATOM 1928 CA ILE A 119 -0.143 8.922 5.122 1.00 0.00 C ATOM 1929 C ILE A 119 -0.400 7.579 5.821 1.00 0.00 C ATOM 1930 O ILE A 119 -1.129 6.723 5.311 1.00 0.00 O ATOM 1931 CB ILE A 119 -1.060 10.037 5.675 1.00 0.00 C ATOM 1932 CG1 ILE A 119 -2.552 9.805 5.342 1.00 0.00 C ATOM 1933 CG2 ILE A 119 -0.560 11.401 5.162 1.00 0.00 C ATOM 1934 CD1 ILE A 119 -3.516 10.737 6.081 1.00 0.00 C ATOM 0 H ILE A 119 -1.227 8.924 3.323 1.00 0.00 H new ATOM 0 HA ILE A 119 0.883 9.219 5.338 1.00 0.00 H new ATOM 0 HB ILE A 119 -1.003 10.020 6.763 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -2.696 9.930 4.269 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -2.809 8.773 5.580 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -1.202 12.193 5.548 1.00 0.00 H new ATOM 0 HG22 ILE A 119 0.463 11.565 5.502 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -0.586 11.412 4.072 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -4.541 10.506 5.789 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -3.405 10.597 7.156 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -3.290 11.772 5.824 1.00 0.00 H new ATOM 1946 N GLY A 120 0.176 7.410 7.011 1.00 0.00 N ATOM 1947 CA GLY A 120 -0.046 6.261 7.890 1.00 0.00 C ATOM 1948 C GLY A 120 -0.962 6.613 9.066 1.00 0.00 C ATOM 1949 O GLY A 120 -1.081 7.780 9.445 1.00 0.00 O ATOM 0 H GLY A 120 0.829 8.089 7.402 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -0.487 5.445 7.317 1.00 0.00 H new ATOM 0 HA3 GLY A 120 0.911 5.903 8.269 1.00 0.00 H new ATOM 1953 N VAL A 121 -1.596 5.598 9.661 1.00 0.00 N ATOM 1954 CA VAL A 121 -2.595 5.736 10.741 1.00 0.00 C ATOM 1955 C VAL A 121 -2.515 4.531 11.695 1.00 0.00 C ATOM 1956 O VAL A 121 -2.350 3.393 11.249 1.00 0.00 O ATOM 1957 CB VAL A 121 -4.014 5.812 10.145 1.00 0.00 C ATOM 1958 CG1 VAL A 121 -5.058 6.077 11.236 1.00 0.00 C ATOM 1959 CG2 VAL A 121 -4.205 6.898 9.072 1.00 0.00 C ATOM 0 H VAL A 121 -1.428 4.626 9.401 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.382 6.652 11.292 1.00 0.00 H new ATOM 0 HB VAL A 121 -4.150 4.838 9.674 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -6.050 6.126 10.786 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.031 5.271 11.969 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -4.837 7.023 11.729 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -5.233 6.876 8.711 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -3.992 7.876 9.503 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -3.525 6.712 8.241 1.00 0.00 H new ATOM 1969 N GLU A 122 -2.648 4.760 13.008 1.00 0.00 N ATOM 1970 CA GLU A 122 -2.559 3.699 14.032 1.00 0.00 C ATOM 1971 C GLU A 122 -3.840 2.852 14.164 1.00 0.00 C ATOM 1972 O GLU A 122 -3.756 1.625 14.263 1.00 0.00 O ATOM 1973 CB GLU A 122 -2.242 4.327 15.403 1.00 0.00 C ATOM 1974 CG GLU A 122 -0.779 4.747 15.581 1.00 0.00 C ATOM 1975 CD GLU A 122 0.167 3.532 15.652 1.00 0.00 C ATOM 1976 OE1 GLU A 122 0.162 2.811 16.680 1.00 0.00 O ATOM 1977 OE2 GLU A 122 0.932 3.294 14.684 1.00 0.00 O ATOM 0 H GLU A 122 -2.821 5.687 13.396 1.00 0.00 H new ATOM 0 HA GLU A 122 -1.763 3.030 13.704 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -2.878 5.200 15.545 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -2.501 3.613 16.185 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -0.483 5.389 14.751 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -0.680 5.337 16.492 1.00 0.00 H new ATOM 1984 N ARG A 123 -5.024 3.490 14.183 1.00 0.00 N ATOM 1985 CA ARG A 123 -6.332 2.817 14.347 1.00 0.00 C ATOM 1986 C ARG A 123 -6.664 1.904 13.159 1.00 0.00 C ATOM 1987 O ARG A 123 -6.889 0.705 13.336 1.00 0.00 O ATOM 1988 CB ARG A 123 -7.453 3.862 14.515 1.00 0.00 C ATOM 1989 CG ARG A 123 -7.757 4.339 15.944 1.00 0.00 C ATOM 1990 CD ARG A 123 -6.717 5.286 16.557 1.00 0.00 C ATOM 1991 NE ARG A 123 -5.585 4.563 17.172 1.00 0.00 N ATOM 1992 CZ ARG A 123 -4.707 5.070 18.022 1.00 0.00 C ATOM 1993 NH1 ARG A 123 -4.698 6.335 18.341 1.00 0.00 N ATOM 1994 NH2 ARG A 123 -3.809 4.307 18.576 1.00 0.00 N ATOM 0 H ARG A 123 -5.104 4.502 14.084 1.00 0.00 H new ATOM 0 HA ARG A 123 -6.263 2.197 15.241 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -7.195 4.735 13.915 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -8.369 3.446 14.095 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -8.725 4.841 15.943 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -7.852 3.465 16.588 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -6.339 5.955 15.784 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -7.198 5.909 17.311 1.00 0.00 H new ATOM 0 HE ARG A 123 -5.470 3.582 16.918 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -5.384 6.969 17.931 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -4.005 6.690 19.000 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -3.779 3.312 18.356 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -3.135 4.705 19.230 1.00 0.00 H new ATOM 2008 N ASP A 124 -6.691 2.477 11.957 1.00 0.00 N ATOM 2009 CA ASP A 124 -6.982 1.798 10.688 1.00 0.00 C ATOM 2010 C ASP A 124 -6.389 2.614 9.524 1.00 0.00 C ATOM 2011 O ASP A 124 -6.605 3.822 9.423 1.00 0.00 O ATOM 2012 CB ASP A 124 -8.508 1.639 10.525 1.00 0.00 C ATOM 2013 CG ASP A 124 -8.937 0.717 9.360 1.00 0.00 C ATOM 2014 OD1 ASP A 124 -8.174 0.528 8.381 1.00 0.00 O ATOM 2015 OD2 ASP A 124 -10.046 0.135 9.446 1.00 0.00 O ATOM 0 H ASP A 124 -6.503 3.472 11.832 1.00 0.00 H new ATOM 0 HA ASP A 124 -6.529 0.806 10.685 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -8.921 1.245 11.454 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -8.949 2.624 10.373 1.00 0.00 H new ATOM 2020 N HIS A 125 -5.625 1.942 8.659 1.00 0.00 N ATOM 2021 CA HIS A 125 -5.052 2.411 7.390 1.00 0.00 C ATOM 2022 C HIS A 125 -6.067 2.873 6.309 1.00 0.00 C ATOM 2023 O HIS A 125 -5.985 2.456 5.152 1.00 0.00 O ATOM 2024 CB HIS A 125 -4.105 1.312 6.860 1.00 0.00 C ATOM 2025 CG HIS A 125 -4.665 -0.099 6.755 1.00 0.00 C ATOM 2026 ND1 HIS A 125 -5.959 -0.531 6.972 1.00 0.00 N ATOM 2027 CD2 HIS A 125 -3.934 -1.212 6.430 1.00 0.00 C ATOM 2028 CE1 HIS A 125 -6.003 -1.860 6.780 1.00 0.00 C ATOM 2029 NE2 HIS A 125 -4.785 -2.329 6.448 1.00 0.00 N ATOM 0 H HIS A 125 -5.368 0.972 8.842 1.00 0.00 H new ATOM 0 HA HIS A 125 -4.512 3.332 7.610 1.00 0.00 H new ATOM 0 HB2 HIS A 125 -3.759 1.612 5.871 1.00 0.00 H new ATOM 0 HB3 HIS A 125 -3.229 1.280 7.508 1.00 0.00 H new ATOM 0 HD1 HIS A 125 -6.748 0.060 7.234 1.00 0.00 H new ATOM 0 HD2 HIS A 125 -2.879 -1.227 6.199 1.00 0.00 H new ATOM 0 HE1 HIS A 125 -6.891 -2.467 6.878 1.00 0.00 H new ATOM 2037 N ASN A 126 -7.021 3.742 6.653 1.00 0.00 N ATOM 2038 CA ASN A 126 -8.005 4.324 5.735 1.00 0.00 C ATOM 2039 C ASN A 126 -8.393 5.773 6.104 1.00 0.00 C ATOM 2040 O ASN A 126 -8.208 6.214 7.241 1.00 0.00 O ATOM 2041 CB ASN A 126 -9.234 3.396 5.661 1.00 0.00 C ATOM 2042 CG ASN A 126 -10.180 3.517 6.850 1.00 0.00 C ATOM 2043 OD1 ASN A 126 -9.801 3.728 7.994 1.00 0.00 O ATOM 2044 ND2 ASN A 126 -11.468 3.429 6.611 1.00 0.00 N ATOM 0 H ASN A 126 -7.134 4.072 7.612 1.00 0.00 H new ATOM 0 HA ASN A 126 -7.549 4.398 4.748 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -9.787 3.615 4.747 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -8.892 2.364 5.587 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -12.137 3.536 7.374 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -11.800 3.253 5.663 1.00 0.00 H new ATOM 2051 N PHE A 127 -8.945 6.511 5.135 1.00 0.00 N ATOM 2052 CA PHE A 127 -9.384 7.907 5.298 1.00 0.00 C ATOM 2053 C PHE A 127 -10.307 8.378 4.157 1.00 0.00 C ATOM 2054 O PHE A 127 -10.260 7.857 3.040 1.00 0.00 O ATOM 2055 CB PHE A 127 -8.164 8.843 5.432 1.00 0.00 C ATOM 2056 CG PHE A 127 -7.048 8.633 4.423 1.00 0.00 C ATOM 2057 CD1 PHE A 127 -7.162 9.146 3.117 1.00 0.00 C ATOM 2058 CD2 PHE A 127 -5.884 7.926 4.792 1.00 0.00 C ATOM 2059 CE1 PHE A 127 -6.123 8.954 2.189 1.00 0.00 C ATOM 2060 CE2 PHE A 127 -4.848 7.730 3.861 1.00 0.00 C ATOM 2061 CZ PHE A 127 -4.968 8.245 2.559 1.00 0.00 C ATOM 0 H PHE A 127 -9.104 6.150 4.194 1.00 0.00 H new ATOM 0 HA PHE A 127 -9.972 7.950 6.215 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -8.511 9.873 5.351 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -7.749 8.725 6.433 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -8.050 9.688 2.827 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -5.788 7.534 5.794 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -6.213 9.353 1.189 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -3.961 7.184 4.147 1.00 0.00 H new ATOM 0 HZ PHE A 127 -4.173 8.096 1.843 1.00 0.00 H new ATOM 2071 N ALA A 128 -11.139 9.386 4.442 1.00 0.00 N ATOM 2072 CA ALA A 128 -12.145 9.930 3.530 1.00 0.00 C ATOM 2073 C ALA A 128 -11.666 11.201 2.796 1.00 0.00 C ATOM 2074 O ALA A 128 -11.067 12.106 3.384 1.00 0.00 O ATOM 2075 CB ALA A 128 -13.427 10.205 4.328 1.00 0.00 C ATOM 0 H ALA A 128 -11.128 9.860 5.345 1.00 0.00 H new ATOM 0 HA ALA A 128 -12.335 9.193 2.750 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -14.189 10.612 3.663 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -13.788 9.276 4.768 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -13.216 10.924 5.120 1.00 0.00 H new ATOM 2081 N LEU A 129 -11.962 11.272 1.498 1.00 0.00 N ATOM 2082 CA LEU A 129 -11.648 12.386 0.600 1.00 0.00 C ATOM 2083 C LEU A 129 -12.644 13.558 0.707 1.00 0.00 C ATOM 2084 O LEU A 129 -13.729 13.414 1.270 1.00 0.00 O ATOM 2085 CB LEU A 129 -11.566 11.852 -0.840 1.00 0.00 C ATOM 2086 CG LEU A 129 -10.253 11.080 -1.106 1.00 0.00 C ATOM 2087 CD1 LEU A 129 -10.345 9.571 -0.913 1.00 0.00 C ATOM 2088 CD2 LEU A 129 -9.808 11.363 -2.536 1.00 0.00 C ATOM 0 H LEU A 129 -12.452 10.516 1.019 1.00 0.00 H new ATOM 0 HA LEU A 129 -10.686 12.800 0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -12.415 11.196 -1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -11.643 12.685 -1.539 1.00 0.00 H new ATOM 0 HG LEU A 129 -9.537 11.434 -0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -9.376 9.118 -1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -10.633 9.353 0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -11.092 9.162 -1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -8.882 10.826 -2.742 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -10.581 11.033 -3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -9.642 12.433 -2.660 1.00 0.00 H new ATOM 2100 N LYS A 130 -12.298 14.712 0.106 1.00 0.00 N ATOM 2101 CA LYS A 130 -13.149 15.926 0.057 1.00 0.00 C ATOM 2102 C LYS A 130 -14.575 15.680 -0.465 1.00 0.00 C ATOM 2103 O LYS A 130 -15.523 16.313 -0.001 1.00 0.00 O ATOM 2104 CB LYS A 130 -12.452 17.053 -0.740 1.00 0.00 C ATOM 2105 CG LYS A 130 -12.352 16.817 -2.259 1.00 0.00 C ATOM 2106 CD LYS A 130 -11.717 17.991 -3.029 1.00 0.00 C ATOM 2107 CE LYS A 130 -12.700 18.846 -3.846 1.00 0.00 C ATOM 2108 NZ LYS A 130 -13.430 19.848 -3.023 1.00 0.00 N ATOM 0 H LYS A 130 -11.404 14.834 -0.369 1.00 0.00 H new ATOM 0 HA LYS A 130 -13.272 16.241 1.093 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -12.991 17.985 -0.568 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -11.446 17.189 -0.343 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -11.765 15.916 -2.440 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -13.350 16.632 -2.655 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -11.204 18.637 -2.316 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -10.958 17.594 -3.703 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -12.153 19.362 -4.635 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -13.422 18.191 -4.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -14.076 20.392 -3.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -13.977 19.359 -2.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -12.748 20.494 -2.577 1.00 0.00 H new ATOM 2122 N ASN A 131 -14.714 14.765 -1.429 1.00 0.00 N ATOM 2123 CA ASN A 131 -15.988 14.413 -2.069 1.00 0.00 C ATOM 2124 C ASN A 131 -16.803 13.390 -1.253 1.00 0.00 C ATOM 2125 O ASN A 131 -18.030 13.354 -1.343 1.00 0.00 O ATOM 2126 CB ASN A 131 -15.674 13.823 -3.455 1.00 0.00 C ATOM 2127 CG ASN A 131 -14.920 14.772 -4.374 1.00 0.00 C ATOM 2128 OD1 ASN A 131 -13.718 14.658 -4.568 1.00 0.00 O ATOM 2129 ND2 ASN A 131 -15.589 15.744 -4.949 1.00 0.00 N ATOM 0 H ASN A 131 -13.924 14.234 -1.796 1.00 0.00 H new ATOM 0 HA ASN A 131 -16.595 15.316 -2.141 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -15.086 12.914 -3.327 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -16.608 13.534 -3.936 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -15.106 16.405 -5.558 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -16.592 15.839 -4.787 1.00 0.00 H new ATOM 2136 N GLY A 132 -16.115 12.543 -0.477 1.00 0.00 N ATOM 2137 CA GLY A 132 -16.696 11.484 0.355 1.00 0.00 C ATOM 2138 C GLY A 132 -16.039 10.110 0.187 1.00 0.00 C ATOM 2139 O GLY A 132 -16.192 9.264 1.068 1.00 0.00 O ATOM 0 H GLY A 132 -15.098 12.579 -0.410 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -16.624 11.781 1.401 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -17.757 11.396 0.120 1.00 0.00 H new ATOM 2143 N PHE A 133 -15.322 9.882 -0.919 1.00 0.00 N ATOM 2144 CA PHE A 133 -14.714 8.588 -1.276 1.00 0.00 C ATOM 2145 C PHE A 133 -13.704 8.110 -0.222 1.00 0.00 C ATOM 2146 O PHE A 133 -13.163 8.937 0.509 1.00 0.00 O ATOM 2147 CB PHE A 133 -14.041 8.720 -2.650 1.00 0.00 C ATOM 2148 CG PHE A 133 -14.885 9.406 -3.712 1.00 0.00 C ATOM 2149 CD1 PHE A 133 -16.224 9.025 -3.928 1.00 0.00 C ATOM 2150 CD2 PHE A 133 -14.339 10.477 -4.447 1.00 0.00 C ATOM 2151 CE1 PHE A 133 -17.021 9.737 -4.842 1.00 0.00 C ATOM 2152 CE2 PHE A 133 -15.131 11.171 -5.379 1.00 0.00 C ATOM 2153 CZ PHE A 133 -16.477 10.816 -5.560 1.00 0.00 C ATOM 0 H PHE A 133 -15.142 10.609 -1.611 1.00 0.00 H new ATOM 0 HA PHE A 133 -15.502 7.835 -1.315 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -13.111 9.275 -2.531 1.00 0.00 H new ATOM 0 HB3 PHE A 133 -13.775 7.725 -3.005 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -16.639 8.185 -3.391 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -13.310 10.766 -4.294 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -18.052 9.454 -4.992 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -14.703 11.978 -5.956 1.00 0.00 H new ATOM 0 HZ PHE A 133 -17.094 11.372 -6.251 1.00 0.00 H new ATOM 2163 N ILE A 134 -13.381 6.810 -0.164 1.00 0.00 N ATOM 2164 CA ILE A 134 -12.428 6.276 0.823 1.00 0.00 C ATOM 2165 C ILE A 134 -11.198 5.697 0.137 1.00 0.00 C ATOM 2166 O ILE A 134 -11.289 4.805 -0.707 1.00 0.00 O ATOM 2167 CB ILE A 134 -13.042 5.186 1.715 1.00 0.00 C ATOM 2168 CG1 ILE A 134 -14.459 5.483 2.224 1.00 0.00 C ATOM 2169 CG2 ILE A 134 -12.098 4.861 2.893 1.00 0.00 C ATOM 2170 CD1 ILE A 134 -14.642 6.691 3.138 1.00 0.00 C ATOM 0 H ILE A 134 -13.767 6.105 -0.792 1.00 0.00 H new ATOM 0 HA ILE A 134 -12.150 7.122 1.452 1.00 0.00 H new ATOM 0 HB ILE A 134 -13.152 4.315 1.069 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -15.106 5.616 1.357 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -14.816 4.602 2.756 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -12.547 4.087 3.516 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -11.142 4.507 2.506 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -11.938 5.759 3.489 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -15.691 6.779 3.419 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -14.036 6.564 4.035 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -14.330 7.594 2.614 1.00 0.00 H new ATOM 2182 N ALA A 135 -10.045 6.143 0.606 1.00 0.00 N ATOM 2183 CA ALA A 135 -8.730 5.609 0.272 1.00 0.00 C ATOM 2184 C ALA A 135 -8.222 4.724 1.427 1.00 0.00 C ATOM 2185 O ALA A 135 -8.503 5.001 2.597 1.00 0.00 O ATOM 2186 CB ALA A 135 -7.816 6.813 0.021 1.00 0.00 C ATOM 0 H ALA A 135 -9.995 6.924 1.261 1.00 0.00 H new ATOM 0 HA ALA A 135 -8.756 4.979 -0.617 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -6.816 6.463 -0.234 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -8.214 7.406 -0.802 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -7.768 7.427 0.920 1.00 0.00 H new ATOM 2192 N SER A 136 -7.487 3.653 1.104 1.00 0.00 N ATOM 2193 CA SER A 136 -6.871 2.736 2.086 1.00 0.00 C ATOM 2194 C SER A 136 -5.451 2.327 1.665 1.00 0.00 C ATOM 2195 O SER A 136 -5.198 2.092 0.481 1.00 0.00 O ATOM 2196 CB SER A 136 -7.719 1.471 2.279 1.00 0.00 C ATOM 2197 OG SER A 136 -9.054 1.770 2.642 1.00 0.00 O ATOM 0 H SER A 136 -7.297 3.390 0.137 1.00 0.00 H new ATOM 0 HA SER A 136 -6.819 3.281 3.029 1.00 0.00 H new ATOM 0 HB2 SER A 136 -7.717 0.891 1.356 1.00 0.00 H new ATOM 0 HB3 SER A 136 -7.266 0.847 3.049 1.00 0.00 H new ATOM 0 HG SER A 136 -9.557 0.936 2.753 1.00 0.00 H new ATOM 2203 N ASN A 137 -4.526 2.207 2.629 1.00 0.00 N ATOM 2204 CA ASN A 137 -3.078 2.057 2.375 1.00 0.00 C ATOM 2205 C ASN A 137 -2.417 0.806 2.996 1.00 0.00 C ATOM 2206 O ASN A 137 -3.111 -0.016 3.639 1.00 0.00 O ATOM 2207 CB ASN A 137 -2.378 3.374 2.779 1.00 0.00 C ATOM 2208 CG ASN A 137 -2.446 3.691 4.268 1.00 0.00 C ATOM 2209 OD1 ASN A 137 -1.629 3.254 5.068 1.00 0.00 O ATOM 2210 ND2 ASN A 137 -3.421 4.474 4.682 1.00 0.00 N ATOM 0 H ASN A 137 -4.762 2.211 3.621 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.951 1.873 1.308 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -1.332 3.322 2.478 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -2.829 4.196 2.224 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -3.496 4.717 5.670 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -4.101 4.838 4.015 1.00 0.00 H new TER 2217 ASN A 137