USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 694 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 45 LYS NZ :NH3+ -166:sc= 1.29 (180deg=0.836) USER MOD Set 1.2: A 59 MET CE :methyl 154:sc= -0.0564 (180deg=-0.0757) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -165:sc= 2.29 (180deg=1.83) USER MOD Single : A 25 LYS NZ :NH3+ 177:sc= 1.29 (180deg=1.16) USER MOD Single : A 29 GLN : amide:sc= 0.312 X(o=0.31,f=-0.083) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -130:sc= 0.135 USER MOD Single : A 35 HIS : no HD1:sc= -0.0422 X(o=-0.042,f=-0.31) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 169:sc= 0 (180deg=-0.136) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.479 USER MOD Single : A 43 HIS : no HD1:sc= -1.02 K(o=-1,f=-3.2) USER MOD Single : A 46 LYS NZ :NH3+ 164:sc= -0.132 (180deg=-0.484) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= 2.43 (180deg=2.08) USER MOD Single : A 50 SER OG : rot 78:sc= 1.22 USER MOD Single : A 51 TYR OH : rot -140:sc= -0.932 USER MOD Single : A 52 CYS SG : rot 67:sc= -1.74! USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.574 X(o=-0.57,f=-0.17) USER MOD Single : A 61 SER OG : rot -87:sc= 1.35 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 74 ASN : amide:sc= 0.0848 K(o=0.085,f=-1.1) USER MOD Single : A 75 HIS : no HD1:sc= -0.819 K(o=-0.82,f=-5.3!) USER MOD Single : A 76 THR OG1 : rot -29:sc= 0.372 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 168:sc= 1.26 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.115 USER MOD Single : B 357 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.1) USER MOD Single : B 358 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 2.507 6.384 9.588 1.00 10.00 N ATOM 2 CA TYR A 21 2.741 5.478 8.437 1.00 10.00 C ATOM 3 C TYR A 21 1.426 4.882 7.948 1.00 10.00 C ATOM 4 O TYR A 21 0.477 4.750 8.718 1.00 10.00 O ATOM 5 CB TYR A 21 3.704 4.354 8.828 1.00 10.00 C ATOM 6 CG TYR A 21 5.140 4.622 8.434 1.00 10.00 C ATOM 7 CD1 TYR A 21 5.646 4.158 7.227 1.00 10.00 C ATOM 8 CD2 TYR A 21 5.986 5.343 9.265 1.00 10.00 C ATOM 9 CE1 TYR A 21 6.954 4.407 6.858 1.00 10.00 C ATOM 10 CE2 TYR A 21 7.295 5.595 8.904 1.00 10.00 C ATOM 11 CZ TYR A 21 7.774 5.125 7.702 1.00 10.00 C ATOM 12 OH TYR A 21 9.077 5.376 7.341 1.00 10.00 O ATOM 0 HA TYR A 21 3.185 6.062 7.631 1.00 10.00 H new ATOM 0 HB2 TYR A 21 3.654 4.203 9.906 1.00 10.00 H new ATOM 0 HB3 TYR A 21 3.375 3.426 8.361 1.00 10.00 H new ATOM 0 HD1 TYR A 21 5.006 3.593 6.565 1.00 10.00 H new ATOM 0 HD2 TYR A 21 5.615 5.713 10.209 1.00 10.00 H new ATOM 0 HE1 TYR A 21 7.332 4.041 5.914 1.00 10.00 H new ATOM 0 HE2 TYR A 21 7.940 6.158 9.562 1.00 10.00 H new ATOM 0 HH TYR A 21 9.518 5.895 8.046 1.00 10.00 H new ATOM 22 N ILE A 22 1.376 4.532 6.670 1.00 10.00 N ATOM 23 CA ILE A 22 0.182 3.946 6.068 1.00 10.00 C ATOM 24 C ILE A 22 0.467 2.508 5.651 1.00 10.00 C ATOM 25 O ILE A 22 1.307 2.258 4.791 1.00 10.00 O ATOM 26 CB ILE A 22 -0.277 4.751 4.827 1.00 10.00 C ATOM 27 CG1 ILE A 22 -0.522 6.222 5.190 1.00 10.00 C ATOM 28 CG2 ILE A 22 -1.532 4.136 4.220 1.00 10.00 C ATOM 29 CD1 ILE A 22 -1.671 6.431 6.152 1.00 10.00 C ATOM 0 H ILE A 22 2.156 4.645 6.023 1.00 10.00 H new ATOM 0 HA ILE A 22 -0.614 3.971 6.812 1.00 10.00 H new ATOM 0 HB ILE A 22 0.520 4.710 4.085 1.00 10.00 H new ATOM 0 HG12 ILE A 22 0.387 6.634 5.629 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -0.718 6.784 4.277 1.00 10.00 H new ATOM 0 HG21 ILE A 22 -1.837 4.717 3.350 1.00 10.00 H new ATOM 0 HG22 ILE A 22 -1.324 3.110 3.917 1.00 10.00 H new ATOM 0 HG23 ILE A 22 -2.333 4.141 4.959 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -1.782 7.495 6.361 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -2.591 6.050 5.708 1.00 10.00 H new ATOM 0 HD13 ILE A 22 -1.469 5.898 7.081 1.00 10.00 H new ATOM 41 N LYS A 23 -0.220 1.564 6.266 1.00 10.00 N ATOM 42 CA LYS A 23 -0.024 0.161 5.954 1.00 10.00 C ATOM 43 C LYS A 23 -1.121 -0.335 5.016 1.00 10.00 C ATOM 44 O LYS A 23 -2.270 -0.525 5.426 1.00 10.00 O ATOM 45 CB LYS A 23 -0.001 -0.664 7.240 1.00 10.00 C ATOM 46 CG LYS A 23 0.258 -2.143 7.017 1.00 10.00 C ATOM 47 CD LYS A 23 -0.352 -2.978 8.130 1.00 10.00 C ATOM 48 CE LYS A 23 -1.769 -3.421 7.794 1.00 10.00 C ATOM 49 NZ LYS A 23 -2.684 -2.276 7.538 1.00 10.00 N ATOM 0 H LYS A 23 -0.920 1.744 6.986 1.00 10.00 H new ATOM 0 HA LYS A 23 0.935 0.044 5.449 1.00 10.00 H new ATOM 0 HB2 LYS A 23 0.768 -0.266 7.902 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -0.955 -0.546 7.753 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.160 -2.448 6.058 1.00 10.00 H new ATOM 0 HG3 LYS A 23 1.332 -2.324 6.969 1.00 10.00 H new ATOM 0 HD2 LYS A 23 0.270 -3.855 8.309 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -0.362 -2.400 9.054 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -1.745 -4.065 6.915 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -2.163 -4.019 8.616 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -3.670 -2.606 7.566 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -2.542 -1.548 8.267 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -2.481 -1.872 6.601 1.00 10.00 H new ATOM 63 N LEU A 24 -0.758 -0.542 3.760 1.00 10.00 N ATOM 64 CA LEU A 24 -1.699 -1.007 2.751 1.00 10.00 C ATOM 65 C LEU A 24 -1.701 -2.529 2.679 1.00 10.00 C ATOM 66 O LEU A 24 -0.691 -3.172 2.971 1.00 10.00 O ATOM 67 CB LEU A 24 -1.335 -0.429 1.380 1.00 10.00 C ATOM 68 CG LEU A 24 -1.207 1.093 1.325 1.00 10.00 C ATOM 69 CD1 LEU A 24 -0.554 1.520 0.020 1.00 10.00 C ATOM 70 CD2 LEU A 24 -2.568 1.751 1.479 1.00 10.00 C ATOM 0 H LEU A 24 0.189 -0.394 3.412 1.00 10.00 H new ATOM 0 HA LEU A 24 -2.695 -0.666 3.032 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -0.391 -0.868 1.058 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -2.093 -0.739 0.661 1.00 10.00 H new ATOM 0 HG LEU A 24 -0.576 1.417 2.153 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -0.469 2.606 -0.006 1.00 10.00 H new ATOM 0 HD12 LEU A 24 0.439 1.077 -0.052 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -1.163 1.184 -0.819 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -2.455 2.834 1.437 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -3.224 1.423 0.673 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -3.002 1.468 2.438 1.00 10.00 H new ATOM 82 N LYS A 25 -2.836 -3.098 2.299 1.00 10.00 N ATOM 83 CA LYS A 25 -2.960 -4.543 2.175 1.00 10.00 C ATOM 84 C LYS A 25 -3.009 -4.944 0.709 1.00 10.00 C ATOM 85 O LYS A 25 -3.987 -4.666 0.011 1.00 10.00 O ATOM 86 CB LYS A 25 -4.215 -5.055 2.885 1.00 10.00 C ATOM 87 CG LYS A 25 -4.051 -5.226 4.386 1.00 10.00 C ATOM 88 CD LYS A 25 -5.134 -6.119 4.968 1.00 10.00 C ATOM 89 CE LYS A 25 -4.850 -7.592 4.708 1.00 10.00 C ATOM 90 NZ LYS A 25 -5.937 -8.468 5.222 1.00 10.00 N ATOM 0 H LYS A 25 -3.685 -2.580 2.071 1.00 10.00 H new ATOM 0 HA LYS A 25 -2.086 -4.992 2.647 1.00 10.00 H new ATOM 0 HB2 LYS A 25 -5.035 -4.362 2.696 1.00 10.00 H new ATOM 0 HB3 LYS A 25 -4.501 -6.013 2.450 1.00 10.00 H new ATOM 0 HG2 LYS A 25 -3.072 -5.654 4.599 1.00 10.00 H new ATOM 0 HG3 LYS A 25 -4.084 -4.250 4.870 1.00 10.00 H new ATOM 0 HD2 LYS A 25 -5.209 -5.947 6.042 1.00 10.00 H new ATOM 0 HD3 LYS A 25 -6.098 -5.852 4.534 1.00 10.00 H new ATOM 0 HE2 LYS A 25 -4.729 -7.754 3.637 1.00 10.00 H new ATOM 0 HE3 LYS A 25 -3.907 -7.868 5.181 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 -5.729 -9.458 4.980 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 -6.002 -8.371 6.255 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 -6.841 -8.189 4.791 1.00 10.00 H new ATOM 104 N VAL A 26 -1.947 -5.575 0.245 1.00 10.00 N ATOM 105 CA VAL A 26 -1.877 -6.026 -1.135 1.00 10.00 C ATOM 106 C VAL A 26 -2.373 -7.462 -1.221 1.00 10.00 C ATOM 107 O VAL A 26 -1.901 -8.331 -0.486 1.00 10.00 O ATOM 108 CB VAL A 26 -0.442 -5.951 -1.703 1.00 10.00 C ATOM 109 CG1 VAL A 26 -0.471 -5.913 -3.224 1.00 10.00 C ATOM 110 CG2 VAL A 26 0.305 -4.744 -1.148 1.00 10.00 C ATOM 0 H VAL A 26 -1.120 -5.788 0.802 1.00 10.00 H new ATOM 0 HA VAL A 26 -2.505 -5.363 -1.730 1.00 10.00 H new ATOM 0 HB VAL A 26 0.092 -6.848 -1.390 1.00 10.00 H new ATOM 0 HG11 VAL A 26 0.548 -5.860 -3.606 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -0.954 -6.814 -3.601 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -1.028 -5.037 -3.556 1.00 10.00 H new ATOM 0 HG21 VAL A 26 1.312 -4.716 -1.565 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -0.225 -3.831 -1.420 1.00 10.00 H new ATOM 0 HG23 VAL A 26 0.364 -4.820 -0.062 1.00 10.00 H new ATOM 120 N ILE A 27 -3.334 -7.705 -2.098 1.00 10.00 N ATOM 121 CA ILE A 27 -3.895 -9.040 -2.255 1.00 10.00 C ATOM 122 C ILE A 27 -3.204 -9.793 -3.385 1.00 10.00 C ATOM 123 O ILE A 27 -3.327 -9.431 -4.557 1.00 10.00 O ATOM 124 CB ILE A 27 -5.415 -9.000 -2.529 1.00 10.00 C ATOM 125 CG1 ILE A 27 -6.120 -8.072 -1.534 1.00 10.00 C ATOM 126 CG2 ILE A 27 -6.006 -10.402 -2.457 1.00 10.00 C ATOM 127 CD1 ILE A 27 -5.920 -8.460 -0.080 1.00 10.00 C ATOM 0 H ILE A 27 -3.742 -6.999 -2.711 1.00 10.00 H new ATOM 0 HA ILE A 27 -3.726 -9.561 -1.312 1.00 10.00 H new ATOM 0 HB ILE A 27 -5.571 -8.608 -3.534 1.00 10.00 H new ATOM 0 HG12 ILE A 27 -5.757 -7.055 -1.681 1.00 10.00 H new ATOM 0 HG13 ILE A 27 -7.188 -8.064 -1.754 1.00 10.00 H new ATOM 0 HG21 ILE A 27 -7.077 -10.356 -2.652 1.00 10.00 H new ATOM 0 HG22 ILE A 27 -5.528 -11.037 -3.203 1.00 10.00 H new ATOM 0 HG23 ILE A 27 -5.836 -10.818 -1.464 1.00 10.00 H new ATOM 0 HD11 ILE A 27 -6.450 -7.755 0.561 1.00 10.00 H new ATOM 0 HD12 ILE A 27 -6.310 -9.464 0.085 1.00 10.00 H new ATOM 0 HD13 ILE A 27 -4.857 -8.439 0.159 1.00 10.00 H new ATOM 139 N GLY A 28 -2.466 -10.831 -3.019 1.00 10.00 N ATOM 140 CA GLY A 28 -1.767 -11.635 -3.998 1.00 10.00 C ATOM 141 C GLY A 28 -2.653 -12.719 -4.581 1.00 10.00 C ATOM 142 O GLY A 28 -3.667 -13.092 -3.986 1.00 10.00 O ATOM 0 H GLY A 28 -2.339 -11.132 -2.053 1.00 10.00 H new ATOM 0 HA2 GLY A 28 -1.403 -10.994 -4.801 1.00 10.00 H new ATOM 0 HA3 GLY A 28 -0.893 -12.092 -3.534 1.00 10.00 H new ATOM 146 N GLN A 29 -2.258 -13.238 -5.736 1.00 10.00 N ATOM 147 CA GLN A 29 -3.022 -14.274 -6.422 1.00 10.00 C ATOM 148 C GLN A 29 -3.111 -15.561 -5.600 1.00 10.00 C ATOM 149 O GLN A 29 -4.127 -16.256 -5.640 1.00 10.00 O ATOM 150 CB GLN A 29 -2.398 -14.558 -7.793 1.00 10.00 C ATOM 151 CG GLN A 29 -3.176 -15.553 -8.649 1.00 10.00 C ATOM 152 CD GLN A 29 -4.603 -15.116 -8.922 1.00 10.00 C ATOM 153 OE1 GLN A 29 -4.867 -14.363 -9.863 1.00 10.00 O ATOM 154 NE2 GLN A 29 -5.534 -15.594 -8.113 1.00 10.00 N ATOM 0 H GLN A 29 -1.406 -12.956 -6.221 1.00 10.00 H new ATOM 0 HA GLN A 29 -4.039 -13.905 -6.554 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -2.310 -13.619 -8.339 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -1.387 -14.937 -7.646 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -2.657 -15.691 -9.598 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -3.188 -16.521 -8.149 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -5.274 -16.214 -7.346 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -6.512 -15.342 -8.256 1.00 10.00 H new ATOM 163 N ASP A 30 -2.068 -15.861 -4.829 1.00 10.00 N ATOM 164 CA ASP A 30 -2.044 -17.078 -4.018 1.00 10.00 C ATOM 165 C ASP A 30 -2.655 -16.843 -2.635 1.00 10.00 C ATOM 166 O ASP A 30 -2.341 -17.553 -1.678 1.00 10.00 O ATOM 167 CB ASP A 30 -0.610 -17.621 -3.892 1.00 10.00 C ATOM 168 CG ASP A 30 0.268 -16.792 -2.972 1.00 10.00 C ATOM 169 OD1 ASP A 30 0.353 -15.567 -3.177 1.00 10.00 O ATOM 170 OD2 ASP A 30 0.889 -17.375 -2.051 1.00 10.00 O ATOM 0 H ASP A 30 -1.232 -15.282 -4.748 1.00 10.00 H new ATOM 0 HA ASP A 30 -2.653 -17.825 -4.527 1.00 10.00 H new ATOM 0 HB2 ASP A 30 -0.648 -18.645 -3.521 1.00 10.00 H new ATOM 0 HB3 ASP A 30 -0.155 -17.658 -4.882 1.00 10.00 H new ATOM 175 N SER A 31 -3.545 -15.853 -2.549 1.00 10.00 N ATOM 176 CA SER A 31 -4.228 -15.508 -1.300 1.00 10.00 C ATOM 177 C SER A 31 -3.240 -14.975 -0.260 1.00 10.00 C ATOM 178 O SER A 31 -3.304 -15.324 0.921 1.00 10.00 O ATOM 179 CB SER A 31 -4.988 -16.723 -0.750 1.00 10.00 C ATOM 180 OG SER A 31 -5.764 -17.349 -1.763 1.00 10.00 O ATOM 0 H SER A 31 -3.813 -15.269 -3.341 1.00 10.00 H new ATOM 0 HA SER A 31 -4.947 -14.717 -1.516 1.00 10.00 H new ATOM 0 HB2 SER A 31 -4.280 -17.441 -0.336 1.00 10.00 H new ATOM 0 HB3 SER A 31 -5.638 -16.409 0.067 1.00 10.00 H new ATOM 0 HG SER A 31 -6.235 -18.120 -1.384 1.00 10.00 H new ATOM 186 N SER A 32 -2.329 -14.129 -0.709 1.00 10.00 N ATOM 187 CA SER A 32 -1.339 -13.541 0.170 1.00 10.00 C ATOM 188 C SER A 32 -1.729 -12.112 0.523 1.00 10.00 C ATOM 189 O SER A 32 -2.147 -11.344 -0.344 1.00 10.00 O ATOM 190 CB SER A 32 0.026 -13.559 -0.509 1.00 10.00 C ATOM 191 OG SER A 32 -0.112 -13.380 -1.909 1.00 10.00 O ATOM 0 H SER A 32 -2.256 -13.834 -1.683 1.00 10.00 H new ATOM 0 HA SER A 32 -1.289 -14.125 1.089 1.00 10.00 H new ATOM 0 HB2 SER A 32 0.654 -12.770 -0.096 1.00 10.00 H new ATOM 0 HB3 SER A 32 0.527 -14.505 -0.305 1.00 10.00 H new ATOM 0 HG SER A 32 0.391 -14.078 -2.379 1.00 10.00 H new ATOM 197 N GLU A 33 -1.612 -11.768 1.796 1.00 10.00 N ATOM 198 CA GLU A 33 -1.941 -10.432 2.256 1.00 10.00 C ATOM 199 C GLU A 33 -0.662 -9.690 2.618 1.00 10.00 C ATOM 200 O GLU A 33 -0.125 -9.839 3.718 1.00 10.00 O ATOM 201 CB GLU A 33 -2.890 -10.506 3.452 1.00 10.00 C ATOM 202 CG GLU A 33 -4.030 -11.495 3.244 1.00 10.00 C ATOM 203 CD GLU A 33 -4.700 -11.906 4.535 1.00 10.00 C ATOM 204 OE1 GLU A 33 -4.460 -13.043 5.003 1.00 10.00 O ATOM 205 OE2 GLU A 33 -5.473 -11.095 5.088 1.00 10.00 O ATOM 0 H GLU A 33 -1.290 -12.399 2.530 1.00 10.00 H new ATOM 0 HA GLU A 33 -2.446 -9.886 1.459 1.00 10.00 H new ATOM 0 HB2 GLU A 33 -2.326 -10.791 4.340 1.00 10.00 H new ATOM 0 HB3 GLU A 33 -3.305 -9.516 3.642 1.00 10.00 H new ATOM 0 HG2 GLU A 33 -4.773 -11.050 2.581 1.00 10.00 H new ATOM 0 HG3 GLU A 33 -3.646 -12.383 2.742 1.00 10.00 H new ATOM 212 N ILE A 34 -0.170 -8.900 1.675 1.00 10.00 N ATOM 213 CA ILE A 34 1.064 -8.153 1.871 1.00 10.00 C ATOM 214 C ILE A 34 0.822 -6.892 2.689 1.00 10.00 C ATOM 215 O ILE A 34 -0.078 -6.106 2.390 1.00 10.00 O ATOM 216 CB ILE A 34 1.720 -7.758 0.524 1.00 10.00 C ATOM 217 CG1 ILE A 34 1.583 -8.884 -0.514 1.00 10.00 C ATOM 218 CG2 ILE A 34 3.184 -7.401 0.735 1.00 10.00 C ATOM 219 CD1 ILE A 34 2.282 -10.176 -0.132 1.00 10.00 C ATOM 0 H ILE A 34 -0.608 -8.759 0.764 1.00 10.00 H new ATOM 0 HA ILE A 34 1.741 -8.814 2.412 1.00 10.00 H new ATOM 0 HB ILE A 34 1.197 -6.883 0.137 1.00 10.00 H new ATOM 0 HG12 ILE A 34 0.524 -9.090 -0.671 1.00 10.00 H new ATOM 0 HG13 ILE A 34 1.984 -8.535 -1.466 1.00 10.00 H new ATOM 0 HG21 ILE A 34 3.633 -7.125 -0.219 1.00 10.00 H new ATOM 0 HG22 ILE A 34 3.258 -6.562 1.426 1.00 10.00 H new ATOM 0 HG23 ILE A 34 3.712 -8.260 1.149 1.00 10.00 H new ATOM 0 HD11 ILE A 34 2.135 -10.916 -0.919 1.00 10.00 H new ATOM 0 HD12 ILE A 34 3.348 -9.989 -0.005 1.00 10.00 H new ATOM 0 HD13 ILE A 34 1.866 -10.552 0.802 1.00 10.00 H new ATOM 231 N HIS A 35 1.633 -6.714 3.720 1.00 10.00 N ATOM 232 CA HIS A 35 1.551 -5.557 4.594 1.00 10.00 C ATOM 233 C HIS A 35 2.640 -4.558 4.225 1.00 10.00 C ATOM 234 O HIS A 35 3.734 -4.586 4.794 1.00 10.00 O ATOM 235 CB HIS A 35 1.730 -5.971 6.059 1.00 10.00 C ATOM 236 CG HIS A 35 0.472 -6.388 6.754 1.00 10.00 C ATOM 237 ND1 HIS A 35 0.437 -6.537 8.120 1.00 10.00 N ATOM 238 CD2 HIS A 35 -0.753 -6.668 6.246 1.00 10.00 C ATOM 239 CE1 HIS A 35 -0.796 -6.904 8.412 1.00 10.00 C ATOM 240 NE2 HIS A 35 -1.554 -6.999 7.310 1.00 10.00 N ATOM 0 H HIS A 35 2.370 -7.372 3.974 1.00 10.00 H new ATOM 0 HA HIS A 35 0.568 -5.102 4.470 1.00 10.00 H new ATOM 0 HB2 HIS A 35 2.443 -6.794 6.104 1.00 10.00 H new ATOM 0 HB3 HIS A 35 2.171 -5.137 6.606 1.00 10.00 H new ATOM 0 HD2 HIS A 35 -1.042 -6.637 5.206 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -1.150 -7.103 9.413 1.00 10.00 H new ATOM 0 HE2 HIS A 35 -2.538 -7.266 7.270 1.00 10.00 H new ATOM 248 N PHE A 36 2.359 -3.692 3.266 1.00 10.00 N ATOM 249 CA PHE A 36 3.342 -2.707 2.851 1.00 10.00 C ATOM 250 C PHE A 36 3.140 -1.408 3.619 1.00 10.00 C ATOM 251 O PHE A 36 2.087 -0.775 3.524 1.00 10.00 O ATOM 252 CB PHE A 36 3.269 -2.453 1.345 1.00 10.00 C ATOM 253 CG PHE A 36 4.623 -2.281 0.712 1.00 10.00 C ATOM 254 CD1 PHE A 36 5.648 -1.639 1.394 1.00 10.00 C ATOM 255 CD2 PHE A 36 4.874 -2.763 -0.562 1.00 10.00 C ATOM 256 CE1 PHE A 36 6.896 -1.485 0.819 1.00 10.00 C ATOM 257 CE2 PHE A 36 6.120 -2.611 -1.143 1.00 10.00 C ATOM 258 CZ PHE A 36 7.132 -1.970 -0.454 1.00 10.00 C ATOM 0 H PHE A 36 1.471 -3.651 2.766 1.00 10.00 H new ATOM 0 HA PHE A 36 4.333 -3.101 3.076 1.00 10.00 H new ATOM 0 HB2 PHE A 36 2.753 -3.285 0.866 1.00 10.00 H new ATOM 0 HB3 PHE A 36 2.672 -1.560 1.161 1.00 10.00 H new ATOM 0 HD1 PHE A 36 5.468 -1.255 2.387 1.00 10.00 H new ATOM 0 HD2 PHE A 36 4.088 -3.263 -1.108 1.00 10.00 H new ATOM 0 HE1 PHE A 36 7.685 -0.987 1.363 1.00 10.00 H new ATOM 0 HE2 PHE A 36 6.302 -2.994 -2.136 1.00 10.00 H new ATOM 0 HZ PHE A 36 8.104 -1.848 -0.908 1.00 10.00 H new ATOM 268 N LYS A 37 4.146 -1.027 4.388 1.00 10.00 N ATOM 269 CA LYS A 37 4.082 0.186 5.181 1.00 10.00 C ATOM 270 C LYS A 37 4.684 1.357 4.411 1.00 10.00 C ATOM 271 O LYS A 37 5.903 1.466 4.281 1.00 10.00 O ATOM 272 CB LYS A 37 4.812 -0.023 6.509 1.00 10.00 C ATOM 273 CG LYS A 37 4.200 0.748 7.667 1.00 10.00 C ATOM 274 CD LYS A 37 4.519 0.093 9.002 1.00 10.00 C ATOM 275 CE LYS A 37 3.739 -1.201 9.195 1.00 10.00 C ATOM 276 NZ LYS A 37 4.171 -1.935 10.413 1.00 10.00 N ATOM 0 H LYS A 37 5.020 -1.544 4.479 1.00 10.00 H new ATOM 0 HA LYS A 37 3.038 0.420 5.390 1.00 10.00 H new ATOM 0 HB2 LYS A 37 4.812 -1.086 6.751 1.00 10.00 H new ATOM 0 HB3 LYS A 37 5.853 0.278 6.393 1.00 10.00 H new ATOM 0 HG2 LYS A 37 4.576 1.771 7.663 1.00 10.00 H new ATOM 0 HG3 LYS A 37 3.119 0.805 7.537 1.00 10.00 H new ATOM 0 HD2 LYS A 37 5.588 -0.114 9.060 1.00 10.00 H new ATOM 0 HD3 LYS A 37 4.284 0.784 9.812 1.00 10.00 H new ATOM 0 HE2 LYS A 37 2.675 -0.976 9.266 1.00 10.00 H new ATOM 0 HE3 LYS A 37 3.872 -1.839 8.321 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 3.615 -2.809 10.507 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 5.180 -2.173 10.335 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 4.020 -1.337 11.250 1.00 10.00 H new ATOM 290 N VAL A 38 3.819 2.218 3.893 1.00 10.00 N ATOM 291 CA VAL A 38 4.245 3.380 3.127 1.00 10.00 C ATOM 292 C VAL A 38 4.129 4.646 3.974 1.00 10.00 C ATOM 293 O VAL A 38 3.554 4.623 5.063 1.00 10.00 O ATOM 294 CB VAL A 38 3.410 3.545 1.831 1.00 10.00 C ATOM 295 CG1 VAL A 38 3.269 2.215 1.109 1.00 10.00 C ATOM 296 CG2 VAL A 38 2.036 4.129 2.128 1.00 10.00 C ATOM 0 H VAL A 38 2.807 2.131 3.991 1.00 10.00 H new ATOM 0 HA VAL A 38 5.286 3.223 2.846 1.00 10.00 H new ATOM 0 HB VAL A 38 3.942 4.242 1.183 1.00 10.00 H new ATOM 0 HG11 VAL A 38 2.680 2.354 0.203 1.00 10.00 H new ATOM 0 HG12 VAL A 38 4.257 1.838 0.845 1.00 10.00 H new ATOM 0 HG13 VAL A 38 2.769 1.498 1.761 1.00 10.00 H new ATOM 0 HG21 VAL A 38 1.476 4.232 1.199 1.00 10.00 H new ATOM 0 HG22 VAL A 38 1.497 3.466 2.805 1.00 10.00 H new ATOM 0 HG23 VAL A 38 2.150 5.108 2.594 1.00 10.00 H new ATOM 306 N LYS A 39 4.664 5.748 3.472 1.00 10.00 N ATOM 307 CA LYS A 39 4.619 7.013 4.188 1.00 10.00 C ATOM 308 C LYS A 39 3.947 8.082 3.331 1.00 10.00 C ATOM 309 O LYS A 39 4.222 8.193 2.133 1.00 10.00 O ATOM 310 CB LYS A 39 6.035 7.447 4.582 1.00 10.00 C ATOM 311 CG LYS A 39 6.080 8.568 5.606 1.00 10.00 C ATOM 312 CD LYS A 39 7.511 8.868 6.021 1.00 10.00 C ATOM 313 CE LYS A 39 7.626 10.201 6.745 1.00 10.00 C ATOM 314 NZ LYS A 39 9.044 10.634 6.878 1.00 10.00 N ATOM 0 H LYS A 39 5.136 5.792 2.569 1.00 10.00 H new ATOM 0 HA LYS A 39 4.032 6.883 5.097 1.00 10.00 H new ATOM 0 HB2 LYS A 39 6.570 6.585 4.980 1.00 10.00 H new ATOM 0 HB3 LYS A 39 6.568 7.767 3.686 1.00 10.00 H new ATOM 0 HG2 LYS A 39 5.623 9.465 5.189 1.00 10.00 H new ATOM 0 HG3 LYS A 39 5.494 8.289 6.482 1.00 10.00 H new ATOM 0 HD2 LYS A 39 7.875 8.071 6.669 1.00 10.00 H new ATOM 0 HD3 LYS A 39 8.150 8.878 5.138 1.00 10.00 H new ATOM 0 HE2 LYS A 39 7.063 10.960 6.202 1.00 10.00 H new ATOM 0 HE3 LYS A 39 7.176 10.118 7.734 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 9.083 11.546 7.376 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 9.575 9.921 7.418 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 9.465 10.738 5.933 1.00 10.00 H new ATOM 328 N MET A 40 3.060 8.856 3.946 1.00 10.00 N ATOM 329 CA MET A 40 2.329 9.911 3.251 1.00 10.00 C ATOM 330 C MET A 40 3.227 11.118 2.963 1.00 10.00 C ATOM 331 O MET A 40 3.156 12.140 3.649 1.00 10.00 O ATOM 332 CB MET A 40 1.113 10.342 4.081 1.00 10.00 C ATOM 333 CG MET A 40 0.236 11.382 3.399 1.00 10.00 C ATOM 334 SD MET A 40 -0.518 10.775 1.878 1.00 10.00 S ATOM 335 CE MET A 40 -1.743 9.639 2.532 1.00 10.00 C ATOM 0 H MET A 40 2.828 8.771 4.936 1.00 10.00 H new ATOM 0 HA MET A 40 1.990 9.512 2.295 1.00 10.00 H new ATOM 0 HB2 MET A 40 0.509 9.463 4.305 1.00 10.00 H new ATOM 0 HB3 MET A 40 1.460 10.742 5.034 1.00 10.00 H new ATOM 0 HG2 MET A 40 -0.549 11.696 4.087 1.00 10.00 H new ATOM 0 HG3 MET A 40 0.835 12.264 3.175 1.00 10.00 H new ATOM 0 HE1 MET A 40 -2.418 9.333 1.733 1.00 10.00 H new ATOM 0 HE2 MET A 40 -1.243 8.761 2.941 1.00 10.00 H new ATOM 0 HE3 MET A 40 -2.313 10.132 3.319 1.00 10.00 H new ATOM 345 N THR A 41 4.084 10.972 1.955 1.00 10.00 N ATOM 346 CA THR A 41 5.002 12.028 1.535 1.00 10.00 C ATOM 347 C THR A 41 6.010 11.484 0.523 1.00 10.00 C ATOM 348 O THR A 41 6.558 12.230 -0.291 1.00 10.00 O ATOM 349 CB THR A 41 5.758 12.663 2.735 1.00 10.00 C ATOM 350 OG1 THR A 41 6.439 13.858 2.325 1.00 10.00 O ATOM 351 CG2 THR A 41 6.756 11.690 3.346 1.00 10.00 C ATOM 0 H THR A 41 4.162 10.116 1.405 1.00 10.00 H new ATOM 0 HA THR A 41 4.399 12.809 1.072 1.00 10.00 H new ATOM 0 HB THR A 41 5.015 12.912 3.493 1.00 10.00 H new ATOM 0 HG1 THR A 41 6.909 14.246 3.092 1.00 10.00 H new ATOM 0 HG21 THR A 41 7.266 12.169 4.182 1.00 10.00 H new ATOM 0 HG22 THR A 41 6.230 10.804 3.701 1.00 10.00 H new ATOM 0 HG23 THR A 41 7.489 11.399 2.593 1.00 10.00 H new ATOM 359 N THR A 42 6.245 10.179 0.577 1.00 10.00 N ATOM 360 CA THR A 42 7.180 9.526 -0.323 1.00 10.00 C ATOM 361 C THR A 42 6.512 9.165 -1.644 1.00 10.00 C ATOM 362 O THR A 42 5.298 8.953 -1.704 1.00 10.00 O ATOM 363 CB THR A 42 7.732 8.250 0.327 1.00 10.00 C ATOM 364 OG1 THR A 42 7.706 8.405 1.749 1.00 10.00 O ATOM 365 CG2 THR A 42 9.157 7.969 -0.134 1.00 10.00 C ATOM 0 H THR A 42 5.795 9.549 1.242 1.00 10.00 H new ATOM 0 HA THR A 42 7.994 10.223 -0.521 1.00 10.00 H new ATOM 0 HB THR A 42 7.110 7.407 0.028 1.00 10.00 H new ATOM 0 HG1 THR A 42 8.055 7.593 2.173 1.00 10.00 H new ATOM 0 HG21 THR A 42 9.521 7.059 0.343 1.00 10.00 H new ATOM 0 HG22 THR A 42 9.171 7.842 -1.216 1.00 10.00 H new ATOM 0 HG23 THR A 42 9.800 8.805 0.141 1.00 10.00 H new ATOM 373 N HIS A 43 7.309 9.117 -2.696 1.00 10.00 N ATOM 374 CA HIS A 43 6.819 8.765 -4.020 1.00 10.00 C ATOM 375 C HIS A 43 6.538 7.267 -4.094 1.00 10.00 C ATOM 376 O HIS A 43 7.257 6.464 -3.497 1.00 10.00 O ATOM 377 CB HIS A 43 7.841 9.167 -5.100 1.00 10.00 C ATOM 378 CG HIS A 43 9.277 8.966 -4.695 1.00 10.00 C ATOM 379 ND1 HIS A 43 9.903 7.747 -4.828 1.00 10.00 N ATOM 380 CD2 HIS A 43 10.147 9.850 -4.147 1.00 10.00 C ATOM 381 CE1 HIS A 43 11.127 7.920 -4.353 1.00 10.00 C ATOM 382 NE2 HIS A 43 11.319 9.172 -3.932 1.00 10.00 N ATOM 0 H HIS A 43 8.308 9.319 -2.660 1.00 10.00 H new ATOM 0 HA HIS A 43 5.892 9.309 -4.202 1.00 10.00 H new ATOM 0 HB2 HIS A 43 7.645 8.589 -6.003 1.00 10.00 H new ATOM 0 HB3 HIS A 43 7.690 10.216 -5.355 1.00 10.00 H new ATOM 0 HD2 HIS A 43 9.954 10.889 -3.923 1.00 10.00 H new ATOM 0 HE1 HIS A 43 11.877 7.144 -4.311 1.00 10.00 H new ATOM 0 HE2 HIS A 43 12.175 9.552 -3.527 1.00 10.00 H new ATOM 390 N LEU A 44 5.497 6.887 -4.828 1.00 10.00 N ATOM 391 CA LEU A 44 5.143 5.477 -4.966 1.00 10.00 C ATOM 392 C LEU A 44 6.112 4.770 -5.906 1.00 10.00 C ATOM 393 O LEU A 44 6.044 3.555 -6.090 1.00 10.00 O ATOM 394 CB LEU A 44 3.701 5.318 -5.455 1.00 10.00 C ATOM 395 CG LEU A 44 2.625 5.622 -4.406 1.00 10.00 C ATOM 396 CD1 LEU A 44 1.238 5.499 -5.011 1.00 10.00 C ATOM 397 CD2 LEU A 44 2.765 4.691 -3.210 1.00 10.00 C ATOM 0 H LEU A 44 4.887 7.530 -5.333 1.00 10.00 H new ATOM 0 HA LEU A 44 5.217 5.012 -3.983 1.00 10.00 H new ATOM 0 HB2 LEU A 44 3.549 5.975 -6.311 1.00 10.00 H new ATOM 0 HB3 LEU A 44 3.564 4.296 -5.809 1.00 10.00 H new ATOM 0 HG LEU A 44 2.763 6.648 -4.064 1.00 10.00 H new ATOM 0 HD11 LEU A 44 0.489 5.719 -4.251 1.00 10.00 H new ATOM 0 HD12 LEU A 44 1.137 6.205 -5.835 1.00 10.00 H new ATOM 0 HD13 LEU A 44 1.092 4.485 -5.382 1.00 10.00 H new ATOM 0 HD21 LEU A 44 1.993 4.922 -2.476 1.00 10.00 H new ATOM 0 HD22 LEU A 44 2.656 3.658 -3.539 1.00 10.00 H new ATOM 0 HD23 LEU A 44 3.747 4.826 -2.757 1.00 10.00 H new ATOM 409 N LYS A 45 7.021 5.547 -6.485 1.00 10.00 N ATOM 410 CA LYS A 45 8.039 5.020 -7.382 1.00 10.00 C ATOM 411 C LYS A 45 8.866 3.969 -6.653 1.00 10.00 C ATOM 412 O LYS A 45 9.036 2.846 -7.133 1.00 10.00 O ATOM 413 CB LYS A 45 8.945 6.161 -7.864 1.00 10.00 C ATOM 414 CG LYS A 45 10.236 5.697 -8.521 1.00 10.00 C ATOM 415 CD LYS A 45 9.997 5.197 -9.933 1.00 10.00 C ATOM 416 CE LYS A 45 11.126 4.296 -10.404 1.00 10.00 C ATOM 417 NZ LYS A 45 10.922 3.838 -11.801 1.00 10.00 N ATOM 0 H LYS A 45 7.072 6.556 -6.345 1.00 10.00 H new ATOM 0 HA LYS A 45 7.559 4.560 -8.246 1.00 10.00 H new ATOM 0 HB2 LYS A 45 8.390 6.776 -8.573 1.00 10.00 H new ATOM 0 HB3 LYS A 45 9.191 6.798 -7.014 1.00 10.00 H new ATOM 0 HG2 LYS A 45 10.950 6.520 -8.542 1.00 10.00 H new ATOM 0 HG3 LYS A 45 10.683 4.902 -7.924 1.00 10.00 H new ATOM 0 HD2 LYS A 45 9.054 4.651 -9.972 1.00 10.00 H new ATOM 0 HD3 LYS A 45 9.902 6.046 -10.609 1.00 10.00 H new ATOM 0 HE2 LYS A 45 12.072 4.832 -10.332 1.00 10.00 H new ATOM 0 HE3 LYS A 45 11.199 3.431 -9.745 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 11.570 3.051 -12.007 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 9.940 3.518 -11.921 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 11.113 4.624 -12.455 1.00 10.00 H new ATOM 431 N LYS A 46 9.349 4.344 -5.475 1.00 10.00 N ATOM 432 CA LYS A 46 10.158 3.461 -4.648 1.00 10.00 C ATOM 433 C LYS A 46 9.354 2.238 -4.215 1.00 10.00 C ATOM 434 O LYS A 46 9.866 1.122 -4.191 1.00 10.00 O ATOM 435 CB LYS A 46 10.663 4.219 -3.417 1.00 10.00 C ATOM 436 CG LYS A 46 11.480 3.367 -2.456 1.00 10.00 C ATOM 437 CD LYS A 46 12.967 3.415 -2.773 1.00 10.00 C ATOM 438 CE LYS A 46 13.559 4.793 -2.514 1.00 10.00 C ATOM 439 NZ LYS A 46 13.248 5.295 -1.147 1.00 10.00 N ATOM 0 H LYS A 46 9.191 5.266 -5.068 1.00 10.00 H new ATOM 0 HA LYS A 46 11.010 3.121 -5.236 1.00 10.00 H new ATOM 0 HB2 LYS A 46 11.271 5.061 -3.746 1.00 10.00 H new ATOM 0 HB3 LYS A 46 9.808 4.633 -2.882 1.00 10.00 H new ATOM 0 HG2 LYS A 46 11.316 3.713 -1.436 1.00 10.00 H new ATOM 0 HG3 LYS A 46 11.133 2.335 -2.502 1.00 10.00 H new ATOM 0 HD2 LYS A 46 13.491 2.675 -2.168 1.00 10.00 H new ATOM 0 HD3 LYS A 46 13.125 3.143 -3.817 1.00 10.00 H new ATOM 0 HE2 LYS A 46 14.640 4.752 -2.646 1.00 10.00 H new ATOM 0 HE3 LYS A 46 13.174 5.496 -3.253 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 13.879 6.089 -0.917 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 12.260 5.616 -1.112 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 13.388 4.530 -0.456 1.00 10.00 H new ATOM 453 N LEU A 47 8.087 2.457 -3.897 1.00 10.00 N ATOM 454 CA LEU A 47 7.207 1.381 -3.449 1.00 10.00 C ATOM 455 C LEU A 47 7.028 0.316 -4.528 1.00 10.00 C ATOM 456 O LEU A 47 7.082 -0.882 -4.243 1.00 10.00 O ATOM 457 CB LEU A 47 5.837 1.940 -3.040 1.00 10.00 C ATOM 458 CG LEU A 47 5.754 2.556 -1.636 1.00 10.00 C ATOM 459 CD1 LEU A 47 6.249 1.575 -0.589 1.00 10.00 C ATOM 460 CD2 LEU A 47 6.539 3.857 -1.561 1.00 10.00 C ATOM 0 H LEU A 47 7.641 3.373 -3.940 1.00 10.00 H new ATOM 0 HA LEU A 47 7.678 0.914 -2.584 1.00 10.00 H new ATOM 0 HB2 LEU A 47 5.545 2.699 -3.766 1.00 10.00 H new ATOM 0 HB3 LEU A 47 5.104 1.136 -3.106 1.00 10.00 H new ATOM 0 HG LEU A 47 4.707 2.781 -1.431 1.00 10.00 H new ATOM 0 HD11 LEU A 47 6.182 2.032 0.398 1.00 10.00 H new ATOM 0 HD12 LEU A 47 5.635 0.675 -0.615 1.00 10.00 H new ATOM 0 HD13 LEU A 47 7.286 1.313 -0.797 1.00 10.00 H new ATOM 0 HD21 LEU A 47 6.462 4.271 -0.555 1.00 10.00 H new ATOM 0 HD22 LEU A 47 7.586 3.664 -1.795 1.00 10.00 H new ATOM 0 HD23 LEU A 47 6.132 4.569 -2.278 1.00 10.00 H new ATOM 472 N LYS A 48 6.834 0.758 -5.763 1.00 10.00 N ATOM 473 CA LYS A 48 6.630 -0.157 -6.881 1.00 10.00 C ATOM 474 C LYS A 48 7.847 -1.052 -7.121 1.00 10.00 C ATOM 475 O LYS A 48 7.704 -2.261 -7.307 1.00 10.00 O ATOM 476 CB LYS A 48 6.292 0.623 -8.154 1.00 10.00 C ATOM 477 CG LYS A 48 4.918 1.278 -8.123 1.00 10.00 C ATOM 478 CD LYS A 48 4.639 2.076 -9.390 1.00 10.00 C ATOM 479 CE LYS A 48 4.422 1.168 -10.592 1.00 10.00 C ATOM 480 NZ LYS A 48 4.082 1.939 -11.820 1.00 10.00 N ATOM 0 H LYS A 48 6.813 1.745 -6.018 1.00 10.00 H new ATOM 0 HA LYS A 48 5.792 -0.804 -6.620 1.00 10.00 H new ATOM 0 HB2 LYS A 48 7.048 1.392 -8.310 1.00 10.00 H new ATOM 0 HB3 LYS A 48 6.344 -0.052 -9.008 1.00 10.00 H new ATOM 0 HG2 LYS A 48 4.153 0.511 -8.002 1.00 10.00 H new ATOM 0 HG3 LYS A 48 4.849 1.936 -7.257 1.00 10.00 H new ATOM 0 HD2 LYS A 48 3.757 2.699 -9.241 1.00 10.00 H new ATOM 0 HD3 LYS A 48 5.474 2.748 -9.588 1.00 10.00 H new ATOM 0 HE2 LYS A 48 5.323 0.581 -10.770 1.00 10.00 H new ATOM 0 HE3 LYS A 48 3.620 0.463 -10.373 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 4.158 1.319 -12.651 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 3.109 2.300 -11.745 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 4.741 2.737 -11.922 1.00 10.00 H new ATOM 494 N GLU A 49 9.041 -0.468 -7.110 1.00 10.00 N ATOM 495 CA GLU A 49 10.259 -1.240 -7.350 1.00 10.00 C ATOM 496 C GLU A 49 10.618 -2.120 -6.149 1.00 10.00 C ATOM 497 O GLU A 49 11.087 -3.245 -6.320 1.00 10.00 O ATOM 498 CB GLU A 49 11.429 -0.320 -7.721 1.00 10.00 C ATOM 499 CG GLU A 49 11.672 0.807 -6.738 1.00 10.00 C ATOM 500 CD GLU A 49 12.840 1.678 -7.141 1.00 10.00 C ATOM 501 OE1 GLU A 49 13.995 1.228 -7.002 1.00 10.00 O ATOM 502 OE2 GLU A 49 12.612 2.809 -7.611 1.00 10.00 O ATOM 0 H GLU A 49 9.193 0.526 -6.940 1.00 10.00 H new ATOM 0 HA GLU A 49 10.063 -1.901 -8.194 1.00 10.00 H new ATOM 0 HB2 GLU A 49 12.336 -0.919 -7.800 1.00 10.00 H new ATOM 0 HB3 GLU A 49 11.242 0.107 -8.706 1.00 10.00 H new ATOM 0 HG2 GLU A 49 10.774 1.420 -6.662 1.00 10.00 H new ATOM 0 HG3 GLU A 49 11.858 0.389 -5.748 1.00 10.00 H new ATOM 509 N SER A 50 10.367 -1.626 -4.941 1.00 10.00 N ATOM 510 CA SER A 50 10.668 -2.388 -3.733 1.00 10.00 C ATOM 511 C SER A 50 9.809 -3.650 -3.659 1.00 10.00 C ATOM 512 O SER A 50 10.231 -4.673 -3.117 1.00 10.00 O ATOM 513 CB SER A 50 10.452 -1.524 -2.494 1.00 10.00 C ATOM 514 OG SER A 50 11.275 -0.370 -2.533 1.00 10.00 O ATOM 0 H SER A 50 9.958 -0.707 -4.772 1.00 10.00 H new ATOM 0 HA SER A 50 11.715 -2.690 -3.771 1.00 10.00 H new ATOM 0 HB2 SER A 50 9.405 -1.227 -2.431 1.00 10.00 H new ATOM 0 HB3 SER A 50 10.674 -2.104 -1.598 1.00 10.00 H new ATOM 0 HG SER A 50 10.882 0.291 -3.140 1.00 10.00 H new ATOM 520 N TYR A 51 8.604 -3.573 -4.216 1.00 10.00 N ATOM 521 CA TYR A 51 7.699 -4.714 -4.232 1.00 10.00 C ATOM 522 C TYR A 51 8.243 -5.791 -5.162 1.00 10.00 C ATOM 523 O TYR A 51 8.127 -6.986 -4.888 1.00 10.00 O ATOM 524 CB TYR A 51 6.301 -4.291 -4.691 1.00 10.00 C ATOM 525 CG TYR A 51 5.237 -5.335 -4.433 1.00 10.00 C ATOM 526 CD1 TYR A 51 4.516 -5.338 -3.246 1.00 10.00 C ATOM 527 CD2 TYR A 51 4.951 -6.316 -5.376 1.00 10.00 C ATOM 528 CE1 TYR A 51 3.543 -6.287 -3.004 1.00 10.00 C ATOM 529 CE2 TYR A 51 3.977 -7.268 -5.139 1.00 10.00 C ATOM 530 CZ TYR A 51 3.278 -7.249 -3.953 1.00 10.00 C ATOM 531 OH TYR A 51 2.305 -8.192 -3.715 1.00 10.00 O ATOM 0 H TYR A 51 8.234 -2.733 -4.661 1.00 10.00 H new ATOM 0 HA TYR A 51 7.625 -5.111 -3.220 1.00 10.00 H new ATOM 0 HB2 TYR A 51 6.024 -3.368 -4.181 1.00 10.00 H new ATOM 0 HB3 TYR A 51 6.330 -4.069 -5.758 1.00 10.00 H new ATOM 0 HD1 TYR A 51 4.720 -4.585 -2.499 1.00 10.00 H new ATOM 0 HD2 TYR A 51 5.498 -6.335 -6.307 1.00 10.00 H new ATOM 0 HE1 TYR A 51 2.992 -6.275 -2.075 1.00 10.00 H new ATOM 0 HE2 TYR A 51 3.765 -8.024 -5.881 1.00 10.00 H new ATOM 0 HH TYR A 51 2.608 -9.064 -4.043 1.00 10.00 H new ATOM 541 N CYS A 52 8.856 -5.351 -6.254 1.00 10.00 N ATOM 542 CA CYS A 52 9.429 -6.264 -7.231 1.00 10.00 C ATOM 543 C CYS A 52 10.559 -7.071 -6.598 1.00 10.00 C ATOM 544 O CYS A 52 10.718 -8.260 -6.875 1.00 10.00 O ATOM 545 CB CYS A 52 9.940 -5.483 -8.442 1.00 10.00 C ATOM 546 SG CYS A 52 8.701 -4.398 -9.192 1.00 10.00 S ATOM 0 H CYS A 52 8.968 -4.364 -6.484 1.00 10.00 H new ATOM 0 HA CYS A 52 8.656 -6.956 -7.565 1.00 10.00 H new ATOM 0 HB2 CYS A 52 10.798 -4.883 -8.139 1.00 10.00 H new ATOM 0 HB3 CYS A 52 10.294 -6.188 -9.194 1.00 10.00 H new ATOM 0 HG CYS A 52 8.413 -3.434 -8.369 1.00 10.00 H new ATOM 552 N GLN A 53 11.325 -6.417 -5.723 1.00 10.00 N ATOM 553 CA GLN A 53 12.432 -7.066 -5.026 1.00 10.00 C ATOM 554 C GLN A 53 11.914 -8.181 -4.131 1.00 10.00 C ATOM 555 O GLN A 53 12.559 -9.215 -3.969 1.00 10.00 O ATOM 556 CB GLN A 53 13.210 -6.051 -4.186 1.00 10.00 C ATOM 557 CG GLN A 53 13.871 -4.963 -5.010 1.00 10.00 C ATOM 558 CD GLN A 53 14.886 -4.167 -4.218 1.00 10.00 C ATOM 559 OE1 GLN A 53 14.752 -3.996 -3.009 1.00 10.00 O ATOM 560 NE2 GLN A 53 15.909 -3.675 -4.898 1.00 10.00 N ATOM 0 H GLN A 53 11.197 -5.435 -5.481 1.00 10.00 H new ATOM 0 HA GLN A 53 13.101 -7.491 -5.774 1.00 10.00 H new ATOM 0 HB2 GLN A 53 12.532 -5.590 -3.468 1.00 10.00 H new ATOM 0 HB3 GLN A 53 13.974 -6.576 -3.612 1.00 10.00 H new ATOM 0 HG2 GLN A 53 14.362 -5.414 -5.873 1.00 10.00 H new ATOM 0 HG3 GLN A 53 13.106 -4.288 -5.395 1.00 10.00 H new ATOM 0 HE21 GLN A 53 15.981 -3.841 -5.902 1.00 10.00 H new ATOM 0 HE22 GLN A 53 16.625 -3.130 -4.418 1.00 10.00 H new ATOM 569 N ARG A 54 10.736 -7.966 -3.566 1.00 10.00 N ATOM 570 CA ARG A 54 10.119 -8.944 -2.684 1.00 10.00 C ATOM 571 C ARG A 54 9.670 -10.167 -3.472 1.00 10.00 C ATOM 572 O ARG A 54 9.781 -11.298 -3.003 1.00 10.00 O ATOM 573 CB ARG A 54 8.919 -8.324 -1.971 1.00 10.00 C ATOM 574 CG ARG A 54 8.534 -9.037 -0.686 1.00 10.00 C ATOM 575 CD ARG A 54 9.574 -8.823 0.397 1.00 10.00 C ATOM 576 NE ARG A 54 9.034 -9.101 1.720 1.00 10.00 N ATOM 577 CZ ARG A 54 9.509 -8.584 2.845 1.00 10.00 C ATOM 578 NH1 ARG A 54 10.532 -7.733 2.822 1.00 10.00 N ATOM 579 NH2 ARG A 54 8.952 -8.915 3.999 1.00 10.00 N ATOM 0 H ARG A 54 10.186 -7.118 -3.704 1.00 10.00 H new ATOM 0 HA ARG A 54 10.858 -9.254 -1.945 1.00 10.00 H new ATOM 0 HB2 ARG A 54 9.142 -7.281 -1.744 1.00 10.00 H new ATOM 0 HB3 ARG A 54 8.064 -8.328 -2.648 1.00 10.00 H new ATOM 0 HG2 ARG A 54 7.567 -8.672 -0.341 1.00 10.00 H new ATOM 0 HG3 ARG A 54 8.422 -10.104 -0.879 1.00 10.00 H new ATOM 0 HD2 ARG A 54 10.432 -9.468 0.211 1.00 10.00 H new ATOM 0 HD3 ARG A 54 9.934 -7.795 0.359 1.00 10.00 H new ATOM 0 HE ARG A 54 8.238 -9.735 1.786 1.00 10.00 H new ATOM 0 HH11 ARG A 54 10.959 -7.472 1.933 1.00 10.00 H new ATOM 0 HH12 ARG A 54 10.889 -7.341 3.693 1.00 10.00 H new ATOM 0 HH21 ARG A 54 8.164 -9.563 4.018 1.00 10.00 H new ATOM 0 HH22 ARG A 54 9.310 -8.522 4.870 1.00 10.00 H new ATOM 593 N GLN A 55 9.168 -9.927 -4.674 1.00 10.00 N ATOM 594 CA GLN A 55 8.699 -11.001 -5.539 1.00 10.00 C ATOM 595 C GLN A 55 9.869 -11.679 -6.243 1.00 10.00 C ATOM 596 O GLN A 55 9.744 -12.797 -6.746 1.00 10.00 O ATOM 597 CB GLN A 55 7.715 -10.446 -6.570 1.00 10.00 C ATOM 598 CG GLN A 55 6.329 -10.177 -6.013 1.00 10.00 C ATOM 599 CD GLN A 55 5.465 -11.422 -5.986 1.00 10.00 C ATOM 600 OE1 GLN A 55 5.448 -12.158 -5.002 1.00 10.00 O ATOM 601 NE2 GLN A 55 4.749 -11.667 -7.073 1.00 10.00 N ATOM 0 H GLN A 55 9.074 -8.994 -5.075 1.00 10.00 H new ATOM 0 HA GLN A 55 8.193 -11.745 -4.924 1.00 10.00 H new ATOM 0 HB2 GLN A 55 8.117 -9.520 -6.980 1.00 10.00 H new ATOM 0 HB3 GLN A 55 7.633 -11.152 -7.397 1.00 10.00 H new ATOM 0 HG2 GLN A 55 6.418 -9.778 -5.003 1.00 10.00 H new ATOM 0 HG3 GLN A 55 5.840 -9.412 -6.616 1.00 10.00 H new ATOM 0 HE21 GLN A 55 4.793 -11.029 -7.867 1.00 10.00 H new ATOM 0 HE22 GLN A 55 4.153 -12.494 -7.116 1.00 10.00 H new ATOM 610 N GLY A 56 11.005 -10.992 -6.274 1.00 10.00 N ATOM 611 CA GLY A 56 12.184 -11.532 -6.918 1.00 10.00 C ATOM 612 C GLY A 56 12.119 -11.399 -8.424 1.00 10.00 C ATOM 613 O GLY A 56 12.766 -12.150 -9.150 1.00 10.00 O ATOM 0 H GLY A 56 11.129 -10.067 -5.862 1.00 10.00 H new ATOM 0 HA2 GLY A 56 13.069 -11.015 -6.546 1.00 10.00 H new ATOM 0 HA3 GLY A 56 12.293 -12.583 -6.651 1.00 10.00 H new ATOM 617 N VAL A 57 11.344 -10.430 -8.890 1.00 10.00 N ATOM 618 CA VAL A 57 11.177 -10.197 -10.318 1.00 10.00 C ATOM 619 C VAL A 57 11.522 -8.752 -10.671 1.00 10.00 C ATOM 620 O VAL A 57 11.468 -7.872 -9.813 1.00 10.00 O ATOM 621 CB VAL A 57 9.732 -10.499 -10.775 1.00 10.00 C ATOM 622 CG1 VAL A 57 9.436 -11.988 -10.683 1.00 10.00 C ATOM 623 CG2 VAL A 57 8.725 -9.702 -9.958 1.00 10.00 C ATOM 0 H VAL A 57 10.818 -9.789 -8.296 1.00 10.00 H new ATOM 0 HA VAL A 57 11.857 -10.873 -10.837 1.00 10.00 H new ATOM 0 HB VAL A 57 9.640 -10.195 -11.818 1.00 10.00 H new ATOM 0 HG11 VAL A 57 8.413 -12.177 -11.010 1.00 10.00 H new ATOM 0 HG12 VAL A 57 10.128 -12.537 -11.322 1.00 10.00 H new ATOM 0 HG13 VAL A 57 9.554 -12.319 -9.651 1.00 10.00 H new ATOM 0 HG21 VAL A 57 7.716 -9.932 -10.299 1.00 10.00 H new ATOM 0 HG22 VAL A 57 8.821 -9.966 -8.905 1.00 10.00 H new ATOM 0 HG23 VAL A 57 8.916 -8.636 -10.084 1.00 10.00 H new ATOM 633 N PRO A 58 11.899 -8.494 -11.933 1.00 10.00 N ATOM 634 CA PRO A 58 12.238 -7.144 -12.395 1.00 10.00 C ATOM 635 C PRO A 58 11.032 -6.207 -12.358 1.00 10.00 C ATOM 636 O PRO A 58 9.885 -6.649 -12.434 1.00 10.00 O ATOM 637 CB PRO A 58 12.707 -7.364 -13.838 1.00 10.00 C ATOM 638 CG PRO A 58 12.109 -8.662 -14.249 1.00 10.00 C ATOM 639 CD PRO A 58 12.044 -9.497 -13.005 1.00 10.00 C ATOM 0 HA PRO A 58 12.989 -6.671 -11.763 1.00 10.00 H new ATOM 0 HB2 PRO A 58 12.375 -6.554 -14.488 1.00 10.00 H new ATOM 0 HB3 PRO A 58 13.795 -7.395 -13.898 1.00 10.00 H new ATOM 0 HG2 PRO A 58 11.116 -8.517 -14.675 1.00 10.00 H new ATOM 0 HG3 PRO A 58 12.716 -9.147 -15.014 1.00 10.00 H new ATOM 0 HD2 PRO A 58 11.201 -10.187 -13.027 1.00 10.00 H new ATOM 0 HD3 PRO A 58 12.944 -10.097 -12.876 1.00 10.00 H new ATOM 647 N MET A 59 11.295 -4.912 -12.242 1.00 10.00 N ATOM 648 CA MET A 59 10.233 -3.913 -12.193 1.00 10.00 C ATOM 649 C MET A 59 9.504 -3.827 -13.535 1.00 10.00 C ATOM 650 O MET A 59 10.047 -4.230 -14.564 1.00 10.00 O ATOM 651 CB MET A 59 10.814 -2.545 -11.818 1.00 10.00 C ATOM 652 CG MET A 59 9.767 -1.527 -11.386 1.00 10.00 C ATOM 653 SD MET A 59 10.445 0.131 -11.193 1.00 10.00 S ATOM 654 CE MET A 59 9.010 1.015 -10.586 1.00 10.00 C ATOM 0 H MET A 59 12.237 -4.527 -12.180 1.00 10.00 H new ATOM 0 HA MET A 59 9.513 -4.214 -11.432 1.00 10.00 H new ATOM 0 HB2 MET A 59 11.534 -2.676 -11.010 1.00 10.00 H new ATOM 0 HB3 MET A 59 11.362 -2.148 -12.672 1.00 10.00 H new ATOM 0 HG2 MET A 59 8.964 -1.503 -12.123 1.00 10.00 H new ATOM 0 HG3 MET A 59 9.324 -1.846 -10.442 1.00 10.00 H new ATOM 0 HE1 MET A 59 9.334 1.874 -9.999 1.00 10.00 H new ATOM 0 HE2 MET A 59 8.410 1.357 -11.429 1.00 10.00 H new ATOM 0 HE3 MET A 59 8.412 0.352 -9.960 1.00 10.00 H new ATOM 664 N ASN A 60 8.266 -3.317 -13.495 1.00 10.00 N ATOM 665 CA ASN A 60 7.413 -3.140 -14.686 1.00 10.00 C ATOM 666 C ASN A 60 6.758 -4.454 -15.111 1.00 10.00 C ATOM 667 O ASN A 60 6.070 -4.516 -16.130 1.00 10.00 O ATOM 668 CB ASN A 60 8.195 -2.532 -15.860 1.00 10.00 C ATOM 669 CG ASN A 60 7.300 -1.847 -16.880 1.00 10.00 C ATOM 670 OD1 ASN A 60 6.476 -0.998 -16.533 1.00 10.00 O ATOM 671 ND2 ASN A 60 7.455 -2.212 -18.146 1.00 10.00 N ATOM 0 H ASN A 60 7.821 -3.012 -12.629 1.00 10.00 H new ATOM 0 HA ASN A 60 6.625 -2.441 -14.405 1.00 10.00 H new ATOM 0 HB2 ASN A 60 8.915 -1.810 -15.474 1.00 10.00 H new ATOM 0 HB3 ASN A 60 8.765 -3.318 -16.355 1.00 10.00 H new ATOM 0 HD21 ASN A 60 6.881 -1.786 -18.874 1.00 10.00 H new ATOM 0 HD22 ASN A 60 8.148 -2.919 -18.392 1.00 10.00 H new ATOM 678 N SER A 61 6.969 -5.504 -14.331 1.00 10.00 N ATOM 679 CA SER A 61 6.377 -6.800 -14.634 1.00 10.00 C ATOM 680 C SER A 61 5.049 -6.951 -13.900 1.00 10.00 C ATOM 681 O SER A 61 4.197 -7.753 -14.284 1.00 10.00 O ATOM 682 CB SER A 61 7.329 -7.930 -14.232 1.00 10.00 C ATOM 683 OG SER A 61 7.629 -7.871 -12.848 1.00 10.00 O ATOM 0 H SER A 61 7.542 -5.485 -13.488 1.00 10.00 H new ATOM 0 HA SER A 61 6.200 -6.859 -15.708 1.00 10.00 H new ATOM 0 HB2 SER A 61 6.877 -8.893 -14.469 1.00 10.00 H new ATOM 0 HB3 SER A 61 8.250 -7.858 -14.811 1.00 10.00 H new ATOM 0 HG SER A 61 8.393 -7.275 -12.704 1.00 10.00 H new ATOM 689 N LEU A 62 4.880 -6.157 -12.851 1.00 10.00 N ATOM 690 CA LEU A 62 3.675 -6.193 -12.041 1.00 10.00 C ATOM 691 C LEU A 62 2.935 -4.865 -12.115 1.00 10.00 C ATOM 692 O LEU A 62 3.549 -3.796 -12.071 1.00 10.00 O ATOM 693 CB LEU A 62 4.031 -6.499 -10.584 1.00 10.00 C ATOM 694 CG LEU A 62 4.735 -7.836 -10.345 1.00 10.00 C ATOM 695 CD1 LEU A 62 5.358 -7.865 -8.959 1.00 10.00 C ATOM 696 CD2 LEU A 62 3.759 -8.991 -10.517 1.00 10.00 C ATOM 0 H LEU A 62 5.572 -5.474 -12.541 1.00 10.00 H new ATOM 0 HA LEU A 62 3.027 -6.978 -12.430 1.00 10.00 H new ATOM 0 HB2 LEU A 62 4.670 -5.700 -10.209 1.00 10.00 H new ATOM 0 HB3 LEU A 62 3.116 -6.479 -9.993 1.00 10.00 H new ATOM 0 HG LEU A 62 5.529 -7.946 -11.083 1.00 10.00 H new ATOM 0 HD11 LEU A 62 5.855 -8.822 -8.804 1.00 10.00 H new ATOM 0 HD12 LEU A 62 6.087 -7.059 -8.871 1.00 10.00 H new ATOM 0 HD13 LEU A 62 4.580 -7.734 -8.207 1.00 10.00 H new ATOM 0 HD21 LEU A 62 4.277 -9.934 -10.343 1.00 10.00 H new ATOM 0 HD22 LEU A 62 2.943 -8.888 -9.801 1.00 10.00 H new ATOM 0 HD23 LEU A 62 3.356 -8.979 -11.530 1.00 10.00 H new ATOM 708 N ARG A 63 1.619 -4.938 -12.230 1.00 10.00 N ATOM 709 CA ARG A 63 0.791 -3.748 -12.292 1.00 10.00 C ATOM 710 C ARG A 63 0.023 -3.572 -10.990 1.00 10.00 C ATOM 711 O ARG A 63 -0.575 -4.520 -10.474 1.00 10.00 O ATOM 712 CB ARG A 63 -0.185 -3.812 -13.472 1.00 10.00 C ATOM 713 CG ARG A 63 -1.149 -4.988 -13.419 1.00 10.00 C ATOM 714 CD ARG A 63 -2.241 -4.860 -14.469 1.00 10.00 C ATOM 715 NE ARG A 63 -3.185 -5.976 -14.420 1.00 10.00 N ATOM 716 CZ ARG A 63 -3.193 -6.986 -15.292 1.00 10.00 C ATOM 717 NH1 ARG A 63 -2.306 -7.029 -16.281 1.00 10.00 N ATOM 718 NH2 ARG A 63 -4.094 -7.957 -15.172 1.00 10.00 N ATOM 0 H ARG A 63 1.100 -5.815 -12.282 1.00 10.00 H new ATOM 0 HA ARG A 63 1.447 -2.890 -12.440 1.00 10.00 H new ATOM 0 HB2 ARG A 63 -0.760 -2.886 -13.505 1.00 10.00 H new ATOM 0 HB3 ARG A 63 0.386 -3.866 -14.399 1.00 10.00 H new ATOM 0 HG2 ARG A 63 -0.600 -5.917 -13.574 1.00 10.00 H new ATOM 0 HG3 ARG A 63 -1.600 -5.046 -12.428 1.00 10.00 H new ATOM 0 HD2 ARG A 63 -2.779 -3.924 -14.320 1.00 10.00 H new ATOM 0 HD3 ARG A 63 -1.788 -4.813 -15.459 1.00 10.00 H new ATOM 0 HE ARG A 63 -3.880 -5.983 -13.673 1.00 10.00 H new ATOM 0 HH11 ARG A 63 -1.613 -6.287 -16.377 1.00 10.00 H new ATOM 0 HH12 ARG A 63 -2.318 -7.804 -16.944 1.00 10.00 H new ATOM 0 HH21 ARG A 63 -4.777 -7.928 -14.415 1.00 10.00 H new ATOM 0 HH22 ARG A 63 -4.102 -8.730 -15.837 1.00 10.00 H new ATOM 732 N PHE A 64 0.059 -2.366 -10.455 1.00 10.00 N ATOM 733 CA PHE A 64 -0.643 -2.058 -9.222 1.00 10.00 C ATOM 734 C PHE A 64 -1.996 -1.449 -9.547 1.00 10.00 C ATOM 735 O PHE A 64 -2.073 -0.369 -10.135 1.00 10.00 O ATOM 736 CB PHE A 64 0.178 -1.101 -8.359 1.00 10.00 C ATOM 737 CG PHE A 64 1.329 -1.761 -7.663 1.00 10.00 C ATOM 738 CD1 PHE A 64 2.565 -1.857 -8.280 1.00 10.00 C ATOM 739 CD2 PHE A 64 1.173 -2.286 -6.390 1.00 10.00 C ATOM 740 CE1 PHE A 64 3.627 -2.467 -7.640 1.00 10.00 C ATOM 741 CE2 PHE A 64 2.230 -2.896 -5.745 1.00 10.00 C ATOM 742 CZ PHE A 64 3.458 -2.988 -6.370 1.00 10.00 C ATOM 0 H PHE A 64 0.569 -1.580 -10.857 1.00 10.00 H new ATOM 0 HA PHE A 64 -0.790 -2.979 -8.659 1.00 10.00 H new ATOM 0 HB2 PHE A 64 0.557 -0.294 -8.986 1.00 10.00 H new ATOM 0 HB3 PHE A 64 -0.474 -0.646 -7.614 1.00 10.00 H new ATOM 0 HD1 PHE A 64 2.700 -1.451 -9.272 1.00 10.00 H new ATOM 0 HD2 PHE A 64 0.214 -2.217 -5.897 1.00 10.00 H new ATOM 0 HE1 PHE A 64 4.587 -2.537 -8.130 1.00 10.00 H new ATOM 0 HE2 PHE A 64 2.097 -3.301 -4.753 1.00 10.00 H new ATOM 0 HZ PHE A 64 4.286 -3.466 -5.868 1.00 10.00 H new ATOM 752 N LEU A 65 -3.055 -2.148 -9.178 1.00 10.00 N ATOM 753 CA LEU A 65 -4.404 -1.686 -9.445 1.00 10.00 C ATOM 754 C LEU A 65 -5.058 -1.170 -8.172 1.00 10.00 C ATOM 755 O LEU A 65 -5.326 -1.933 -7.239 1.00 10.00 O ATOM 756 CB LEU A 65 -5.248 -2.813 -10.051 1.00 10.00 C ATOM 757 CG LEU A 65 -4.731 -3.369 -11.378 1.00 10.00 C ATOM 758 CD1 LEU A 65 -5.641 -4.479 -11.875 1.00 10.00 C ATOM 759 CD2 LEU A 65 -4.622 -2.263 -12.419 1.00 10.00 C ATOM 0 H LEU A 65 -3.005 -3.042 -8.690 1.00 10.00 H new ATOM 0 HA LEU A 65 -4.346 -0.867 -10.162 1.00 10.00 H new ATOM 0 HB2 LEU A 65 -5.307 -3.629 -9.331 1.00 10.00 H new ATOM 0 HB3 LEU A 65 -6.263 -2.446 -10.200 1.00 10.00 H new ATOM 0 HG LEU A 65 -3.736 -3.782 -11.214 1.00 10.00 H new ATOM 0 HD11 LEU A 65 -5.261 -4.865 -12.821 1.00 10.00 H new ATOM 0 HD12 LEU A 65 -5.669 -5.283 -11.140 1.00 10.00 H new ATOM 0 HD13 LEU A 65 -6.647 -4.086 -12.022 1.00 10.00 H new ATOM 0 HD21 LEU A 65 -4.252 -2.680 -13.356 1.00 10.00 H new ATOM 0 HD22 LEU A 65 -5.604 -1.819 -12.582 1.00 10.00 H new ATOM 0 HD23 LEU A 65 -3.932 -1.497 -12.065 1.00 10.00 H new ATOM 771 N PHE A 66 -5.296 0.129 -8.137 1.00 10.00 N ATOM 772 CA PHE A 66 -5.927 0.758 -6.997 1.00 10.00 C ATOM 773 C PHE A 66 -7.244 1.376 -7.429 1.00 10.00 C ATOM 774 O PHE A 66 -7.264 2.340 -8.199 1.00 10.00 O ATOM 775 CB PHE A 66 -5.010 1.825 -6.394 1.00 10.00 C ATOM 776 CG PHE A 66 -5.488 2.353 -5.073 1.00 10.00 C ATOM 777 CD1 PHE A 66 -5.440 1.561 -3.939 1.00 10.00 C ATOM 778 CD2 PHE A 66 -5.978 3.644 -4.966 1.00 10.00 C ATOM 779 CE1 PHE A 66 -5.875 2.045 -2.722 1.00 10.00 C ATOM 780 CE2 PHE A 66 -6.416 4.133 -3.752 1.00 10.00 C ATOM 781 CZ PHE A 66 -6.364 3.333 -2.628 1.00 10.00 C ATOM 0 H PHE A 66 -5.058 0.771 -8.893 1.00 10.00 H new ATOM 0 HA PHE A 66 -6.115 0.004 -6.233 1.00 10.00 H new ATOM 0 HB2 PHE A 66 -4.012 1.405 -6.268 1.00 10.00 H new ATOM 0 HB3 PHE A 66 -4.921 2.654 -7.096 1.00 10.00 H new ATOM 0 HD1 PHE A 66 -5.058 0.553 -4.007 1.00 10.00 H new ATOM 0 HD2 PHE A 66 -6.018 4.275 -5.842 1.00 10.00 H new ATOM 0 HE1 PHE A 66 -5.833 1.417 -1.844 1.00 10.00 H new ATOM 0 HE2 PHE A 66 -6.799 5.140 -3.681 1.00 10.00 H new ATOM 0 HZ PHE A 66 -6.705 3.714 -1.677 1.00 10.00 H new ATOM 791 N GLU A 67 -8.339 0.786 -6.962 1.00 10.00 N ATOM 792 CA GLU A 67 -9.683 1.257 -7.279 1.00 10.00 C ATOM 793 C GLU A 67 -9.960 1.189 -8.782 1.00 10.00 C ATOM 794 O GLU A 67 -10.739 1.977 -9.317 1.00 10.00 O ATOM 795 CB GLU A 67 -9.893 2.682 -6.758 1.00 10.00 C ATOM 796 CG GLU A 67 -9.827 2.791 -5.244 1.00 10.00 C ATOM 797 CD GLU A 67 -10.897 1.969 -4.555 1.00 10.00 C ATOM 798 OE1 GLU A 67 -10.689 0.753 -4.358 1.00 10.00 O ATOM 799 OE2 GLU A 67 -11.950 2.539 -4.203 1.00 10.00 O ATOM 0 H GLU A 67 -8.320 -0.032 -6.353 1.00 10.00 H new ATOM 0 HA GLU A 67 -10.391 0.596 -6.780 1.00 10.00 H new ATOM 0 HB2 GLU A 67 -9.137 3.335 -7.194 1.00 10.00 H new ATOM 0 HB3 GLU A 67 -10.863 3.045 -7.098 1.00 10.00 H new ATOM 0 HG2 GLU A 67 -8.845 2.463 -4.902 1.00 10.00 H new ATOM 0 HG3 GLU A 67 -9.933 3.836 -4.953 1.00 10.00 H new ATOM 806 N GLY A 68 -9.306 0.251 -9.458 1.00 10.00 N ATOM 807 CA GLY A 68 -9.513 0.079 -10.885 1.00 10.00 C ATOM 808 C GLY A 68 -8.455 0.749 -11.743 1.00 10.00 C ATOM 809 O GLY A 68 -8.264 0.369 -12.898 1.00 10.00 O ATOM 0 H GLY A 68 -8.635 -0.395 -9.043 1.00 10.00 H new ATOM 0 HA2 GLY A 68 -9.532 -0.986 -11.114 1.00 10.00 H new ATOM 0 HA3 GLY A 68 -10.491 0.480 -11.152 1.00 10.00 H new ATOM 813 N GLN A 69 -7.759 1.733 -11.191 1.00 10.00 N ATOM 814 CA GLN A 69 -6.738 2.449 -11.947 1.00 10.00 C ATOM 815 C GLN A 69 -5.345 1.924 -11.625 1.00 10.00 C ATOM 816 O GLN A 69 -5.099 1.427 -10.527 1.00 10.00 O ATOM 817 CB GLN A 69 -6.818 3.950 -11.666 1.00 10.00 C ATOM 818 CG GLN A 69 -8.085 4.592 -12.204 1.00 10.00 C ATOM 819 CD GLN A 69 -8.059 6.106 -12.121 1.00 10.00 C ATOM 820 OE1 GLN A 69 -7.438 6.681 -11.229 1.00 10.00 O ATOM 821 NE2 GLN A 69 -8.728 6.761 -13.055 1.00 10.00 N ATOM 0 H GLN A 69 -7.880 2.053 -10.230 1.00 10.00 H new ATOM 0 HA GLN A 69 -6.926 2.280 -13.007 1.00 10.00 H new ATOM 0 HB2 GLN A 69 -6.763 4.115 -10.590 1.00 10.00 H new ATOM 0 HB3 GLN A 69 -5.952 4.443 -12.109 1.00 10.00 H new ATOM 0 HG2 GLN A 69 -8.226 4.292 -13.242 1.00 10.00 H new ATOM 0 HG3 GLN A 69 -8.942 4.217 -11.645 1.00 10.00 H new ATOM 0 HE21 GLN A 69 -9.231 6.246 -13.778 1.00 10.00 H new ATOM 0 HE22 GLN A 69 -8.741 7.781 -13.052 1.00 10.00 H new ATOM 830 N ARG A 70 -4.442 2.024 -12.595 1.00 10.00 N ATOM 831 CA ARG A 70 -3.074 1.558 -12.415 1.00 10.00 C ATOM 832 C ARG A 70 -2.210 2.656 -11.798 1.00 10.00 C ATOM 833 O ARG A 70 -2.272 3.819 -12.202 1.00 10.00 O ATOM 834 CB ARG A 70 -2.475 1.083 -13.749 1.00 10.00 C ATOM 835 CG ARG A 70 -2.439 2.147 -14.837 1.00 10.00 C ATOM 836 CD ARG A 70 -2.108 1.551 -16.200 1.00 10.00 C ATOM 837 NE ARG A 70 -0.726 1.071 -16.288 1.00 10.00 N ATOM 838 CZ ARG A 70 -0.385 -0.210 -16.495 1.00 10.00 C ATOM 839 NH1 ARG A 70 -1.314 -1.152 -16.590 1.00 10.00 N ATOM 840 NH2 ARG A 70 0.889 -0.559 -16.611 1.00 10.00 N ATOM 0 H ARG A 70 -4.634 2.424 -13.514 1.00 10.00 H new ATOM 0 HA ARG A 70 -3.093 0.709 -11.732 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -1.460 0.728 -13.571 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -3.052 0.231 -14.110 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -3.405 2.651 -14.885 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -1.697 2.904 -14.581 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -2.789 0.725 -16.406 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -2.277 2.303 -16.971 1.00 10.00 H new ATOM 0 HE ARG A 70 0.024 1.754 -16.185 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -2.300 -0.906 -16.506 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -1.042 -2.122 -16.747 1.00 10.00 H new ATOM 0 HH21 ARG A 70 1.620 0.149 -16.543 1.00 10.00 H new ATOM 0 HH22 ARG A 70 1.138 -1.536 -16.768 1.00 10.00 H new ATOM 854 N ILE A 71 -1.418 2.278 -10.806 1.00 10.00 N ATOM 855 CA ILE A 71 -0.540 3.216 -10.123 1.00 10.00 C ATOM 856 C ILE A 71 0.671 3.558 -10.985 1.00 10.00 C ATOM 857 O ILE A 71 1.399 2.669 -11.443 1.00 10.00 O ATOM 858 CB ILE A 71 -0.058 2.649 -8.770 1.00 10.00 C ATOM 859 CG1 ILE A 71 -1.251 2.373 -7.847 1.00 10.00 C ATOM 860 CG2 ILE A 71 0.927 3.601 -8.105 1.00 10.00 C ATOM 861 CD1 ILE A 71 -2.093 3.597 -7.560 1.00 10.00 C ATOM 0 H ILE A 71 -1.365 1.322 -10.454 1.00 10.00 H new ATOM 0 HA ILE A 71 -1.118 4.122 -9.941 1.00 10.00 H new ATOM 0 HB ILE A 71 0.456 1.707 -8.958 1.00 10.00 H new ATOM 0 HG12 ILE A 71 -1.881 1.608 -8.301 1.00 10.00 H new ATOM 0 HG13 ILE A 71 -0.884 1.966 -6.905 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.253 3.181 -7.153 1.00 10.00 H new ATOM 0 HG22 ILE A 71 1.791 3.743 -8.754 1.00 10.00 H new ATOM 0 HG23 ILE A 71 0.443 4.562 -7.931 1.00 10.00 H new ATOM 0 HD11 ILE A 71 -2.918 3.325 -6.901 1.00 10.00 H new ATOM 0 HD12 ILE A 71 -1.478 4.357 -7.077 1.00 10.00 H new ATOM 0 HD13 ILE A 71 -2.491 3.992 -8.495 1.00 10.00 H new ATOM 873 N ALA A 72 0.875 4.848 -11.203 1.00 10.00 N ATOM 874 CA ALA A 72 1.993 5.332 -11.996 1.00 10.00 C ATOM 875 C ALA A 72 3.237 5.470 -11.127 1.00 10.00 C ATOM 876 O ALA A 72 3.161 5.386 -9.902 1.00 10.00 O ATOM 877 CB ALA A 72 1.642 6.663 -12.645 1.00 10.00 C ATOM 0 H ALA A 72 0.273 5.585 -10.837 1.00 10.00 H new ATOM 0 HA ALA A 72 2.203 4.609 -12.784 1.00 10.00 H new ATOM 0 HB1 ALA A 72 2.488 7.014 -13.236 1.00 10.00 H new ATOM 0 HB2 ALA A 72 0.775 6.534 -13.293 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.411 7.395 -11.871 1.00 10.00 H new ATOM 883 N ASP A 73 4.380 5.680 -11.762 1.00 10.00 N ATOM 884 CA ASP A 73 5.640 5.817 -11.038 1.00 10.00 C ATOM 885 C ASP A 73 5.729 7.176 -10.356 1.00 10.00 C ATOM 886 O ASP A 73 6.414 7.333 -9.350 1.00 10.00 O ATOM 887 CB ASP A 73 6.829 5.625 -11.982 1.00 10.00 C ATOM 888 CG ASP A 73 7.117 4.163 -12.265 1.00 10.00 C ATOM 889 OD1 ASP A 73 6.154 3.399 -12.494 1.00 10.00 O ATOM 890 OD2 ASP A 73 8.303 3.776 -12.272 1.00 10.00 O ATOM 0 H ASP A 73 4.464 5.760 -12.775 1.00 10.00 H new ATOM 0 HA ASP A 73 5.672 5.042 -10.272 1.00 10.00 H new ATOM 0 HB2 ASP A 73 6.630 6.141 -12.921 1.00 10.00 H new ATOM 0 HB3 ASP A 73 7.714 6.088 -11.545 1.00 10.00 H new ATOM 895 N ASN A 74 5.019 8.151 -10.902 1.00 10.00 N ATOM 896 CA ASN A 74 5.015 9.503 -10.351 1.00 10.00 C ATOM 897 C ASN A 74 3.789 9.724 -9.468 1.00 10.00 C ATOM 898 O ASN A 74 3.389 10.861 -9.208 1.00 10.00 O ATOM 899 CB ASN A 74 5.046 10.534 -11.487 1.00 10.00 C ATOM 900 CG ASN A 74 3.782 10.513 -12.329 1.00 10.00 C ATOM 901 OD1 ASN A 74 3.544 9.573 -13.089 1.00 10.00 O ATOM 902 ND2 ASN A 74 2.974 11.553 -12.211 1.00 10.00 N ATOM 0 H ASN A 74 4.435 8.033 -11.730 1.00 10.00 H new ATOM 0 HA ASN A 74 5.906 9.628 -9.735 1.00 10.00 H new ATOM 0 HB2 ASN A 74 5.181 11.530 -11.065 1.00 10.00 H new ATOM 0 HB3 ASN A 74 5.907 10.339 -12.126 1.00 10.00 H new ATOM 0 HD21 ASN A 74 2.116 11.598 -12.761 1.00 10.00 H new ATOM 0 HD22 ASN A 74 3.208 12.311 -11.570 1.00 10.00 H new ATOM 909 N HIS A 75 3.198 8.633 -9.002 1.00 10.00 N ATOM 910 CA HIS A 75 2.019 8.709 -8.151 1.00 10.00 C ATOM 911 C HIS A 75 2.418 8.808 -6.685 1.00 10.00 C ATOM 912 O HIS A 75 3.525 8.419 -6.302 1.00 10.00 O ATOM 913 CB HIS A 75 1.123 7.483 -8.352 1.00 10.00 C ATOM 914 CG HIS A 75 0.091 7.648 -9.426 1.00 10.00 C ATOM 915 ND1 HIS A 75 -0.865 6.687 -9.653 1.00 10.00 N ATOM 916 CD2 HIS A 75 -0.092 8.664 -10.302 1.00 10.00 C ATOM 917 CE1 HIS A 75 -1.605 7.138 -10.652 1.00 10.00 C ATOM 918 NE2 HIS A 75 -1.173 8.332 -11.077 1.00 10.00 N ATOM 0 H HIS A 75 3.516 7.684 -9.199 1.00 10.00 H new ATOM 0 HA HIS A 75 1.465 9.605 -8.432 1.00 10.00 H new ATOM 0 HB2 HIS A 75 1.749 6.624 -8.594 1.00 10.00 H new ATOM 0 HB3 HIS A 75 0.620 7.256 -7.412 1.00 10.00 H new ATOM 0 HD2 HIS A 75 0.500 9.564 -10.376 1.00 10.00 H new ATOM 0 HE1 HIS A 75 -2.449 6.611 -11.071 1.00 10.00 H new ATOM 0 HE2 HIS A 75 -1.572 8.888 -11.833 1.00 10.00 H new ATOM 926 N THR A 76 1.518 9.344 -5.878 1.00 10.00 N ATOM 927 CA THR A 76 1.748 9.494 -4.452 1.00 10.00 C ATOM 928 C THR A 76 0.510 9.044 -3.677 1.00 10.00 C ATOM 929 O THR A 76 -0.594 9.074 -4.214 1.00 10.00 O ATOM 930 CB THR A 76 2.077 10.958 -4.091 1.00 10.00 C ATOM 931 OG1 THR A 76 1.223 11.855 -4.822 1.00 10.00 O ATOM 932 CG2 THR A 76 3.535 11.282 -4.387 1.00 10.00 C ATOM 0 H THR A 76 0.610 9.686 -6.192 1.00 10.00 H new ATOM 0 HA THR A 76 2.601 8.872 -4.180 1.00 10.00 H new ATOM 0 HB THR A 76 1.905 11.086 -3.022 1.00 10.00 H new ATOM 0 HG1 THR A 76 0.971 11.444 -5.675 1.00 10.00 H new ATOM 0 HG21 THR A 76 3.738 12.320 -4.123 1.00 10.00 H new ATOM 0 HG22 THR A 76 4.180 10.626 -3.802 1.00 10.00 H new ATOM 0 HG23 THR A 76 3.733 11.132 -5.448 1.00 10.00 H new ATOM 940 N PRO A 77 0.667 8.616 -2.410 1.00 10.00 N ATOM 941 CA PRO A 77 -0.466 8.171 -1.582 1.00 10.00 C ATOM 942 C PRO A 77 -1.447 9.308 -1.289 1.00 10.00 C ATOM 943 O PRO A 77 -2.577 9.077 -0.851 1.00 10.00 O ATOM 944 CB PRO A 77 0.196 7.690 -0.281 1.00 10.00 C ATOM 945 CG PRO A 77 1.636 7.505 -0.614 1.00 10.00 C ATOM 946 CD PRO A 77 1.944 8.507 -1.689 1.00 10.00 C ATOM 0 HA PRO A 77 -1.054 7.401 -2.082 1.00 10.00 H new ATOM 0 HB2 PRO A 77 0.068 8.420 0.518 1.00 10.00 H new ATOM 0 HB3 PRO A 77 -0.250 6.758 0.065 1.00 10.00 H new ATOM 0 HG2 PRO A 77 2.263 7.668 0.262 1.00 10.00 H new ATOM 0 HG3 PRO A 77 1.829 6.490 -0.960 1.00 10.00 H new ATOM 0 HD2 PRO A 77 2.256 9.465 -1.272 1.00 10.00 H new ATOM 0 HD3 PRO A 77 2.748 8.166 -2.341 1.00 10.00 H new ATOM 954 N LYS A 78 -0.996 10.533 -1.535 1.00 10.00 N ATOM 955 CA LYS A 78 -1.806 11.722 -1.309 1.00 10.00 C ATOM 956 C LYS A 78 -2.941 11.806 -2.325 1.00 10.00 C ATOM 957 O LYS A 78 -4.067 12.167 -1.982 1.00 10.00 O ATOM 958 CB LYS A 78 -0.925 12.972 -1.390 1.00 10.00 C ATOM 959 CG LYS A 78 -1.684 14.281 -1.219 1.00 10.00 C ATOM 960 CD LYS A 78 -2.325 14.394 0.156 1.00 10.00 C ATOM 961 CE LYS A 78 -1.286 14.475 1.261 1.00 10.00 C ATOM 962 NZ LYS A 78 -1.888 14.885 2.553 1.00 10.00 N ATOM 0 H LYS A 78 -0.062 10.728 -1.895 1.00 10.00 H new ATOM 0 HA LYS A 78 -2.247 11.660 -0.314 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -0.153 12.909 -0.623 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -0.416 12.983 -2.354 1.00 10.00 H new ATOM 0 HG2 LYS A 78 -1.002 15.118 -1.371 1.00 10.00 H new ATOM 0 HG3 LYS A 78 -2.455 14.355 -1.986 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -2.960 15.280 0.189 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -2.971 13.533 0.327 1.00 10.00 H new ATOM 0 HE2 LYS A 78 -0.802 13.505 1.377 1.00 10.00 H new ATOM 0 HE3 LYS A 78 -0.510 15.187 0.979 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 -1.148 14.929 3.282 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 -2.328 15.822 2.449 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 -2.611 14.192 2.835 1.00 10.00 H new ATOM 976 N GLU A 79 -2.644 11.468 -3.568 1.00 10.00 N ATOM 977 CA GLU A 79 -3.651 11.506 -4.617 1.00 10.00 C ATOM 978 C GLU A 79 -4.432 10.200 -4.630 1.00 10.00 C ATOM 979 O GLU A 79 -4.039 9.238 -3.965 1.00 10.00 O ATOM 980 CB GLU A 79 -3.009 11.777 -5.985 1.00 10.00 C ATOM 981 CG GLU A 79 -2.030 10.709 -6.440 1.00 10.00 C ATOM 982 CD GLU A 79 -1.109 11.197 -7.537 1.00 10.00 C ATOM 983 OE1 GLU A 79 -1.591 11.453 -8.661 1.00 10.00 O ATOM 984 OE2 GLU A 79 0.106 11.336 -7.277 1.00 10.00 O ATOM 0 H GLU A 79 -1.720 11.166 -3.875 1.00 10.00 H new ATOM 0 HA GLU A 79 -4.341 12.324 -4.411 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -3.798 11.871 -6.731 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -2.491 12.735 -5.946 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -1.434 10.381 -5.589 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -2.584 9.840 -6.795 1.00 10.00 H new ATOM 991 N LEU A 80 -5.545 10.183 -5.366 1.00 10.00 N ATOM 992 CA LEU A 80 -6.418 9.007 -5.473 1.00 10.00 C ATOM 993 C LEU A 80 -7.207 8.798 -4.179 1.00 10.00 C ATOM 994 O LEU A 80 -8.435 8.704 -4.203 1.00 10.00 O ATOM 995 CB LEU A 80 -5.618 7.745 -5.827 1.00 10.00 C ATOM 996 CG LEU A 80 -4.829 7.822 -7.139 1.00 10.00 C ATOM 997 CD1 LEU A 80 -3.658 6.853 -7.111 1.00 10.00 C ATOM 998 CD2 LEU A 80 -5.733 7.524 -8.323 1.00 10.00 C ATOM 0 H LEU A 80 -5.869 10.985 -5.907 1.00 10.00 H new ATOM 0 HA LEU A 80 -7.124 9.193 -6.283 1.00 10.00 H new ATOM 0 HB2 LEU A 80 -4.922 7.535 -5.015 1.00 10.00 H new ATOM 0 HB3 LEU A 80 -6.306 6.901 -5.884 1.00 10.00 H new ATOM 0 HG LEU A 80 -4.440 8.834 -7.248 1.00 10.00 H new ATOM 0 HD11 LEU A 80 -3.108 6.920 -8.050 1.00 10.00 H new ATOM 0 HD12 LEU A 80 -2.996 7.107 -6.283 1.00 10.00 H new ATOM 0 HD13 LEU A 80 -4.030 5.837 -6.980 1.00 10.00 H new ATOM 0 HD21 LEU A 80 -5.156 7.583 -9.246 1.00 10.00 H new ATOM 0 HD22 LEU A 80 -6.150 6.522 -8.219 1.00 10.00 H new ATOM 0 HD23 LEU A 80 -6.543 8.252 -8.355 1.00 10.00 H new ATOM 1010 N GLY A 81 -6.503 8.743 -3.057 1.00 10.00 N ATOM 1011 CA GLY A 81 -7.155 8.562 -1.778 1.00 10.00 C ATOM 1012 C GLY A 81 -6.754 7.267 -1.102 1.00 10.00 C ATOM 1013 O GLY A 81 -7.475 6.271 -1.179 1.00 10.00 O ATOM 0 H GLY A 81 -5.487 8.821 -3.011 1.00 10.00 H new ATOM 0 HA2 GLY A 81 -6.909 9.400 -1.126 1.00 10.00 H new ATOM 0 HA3 GLY A 81 -8.236 8.575 -1.919 1.00 10.00 H new ATOM 1017 N MET A 82 -5.603 7.276 -0.444 1.00 10.00 N ATOM 1018 CA MET A 82 -5.108 6.094 0.251 1.00 10.00 C ATOM 1019 C MET A 82 -5.193 6.293 1.755 1.00 10.00 C ATOM 1020 O MET A 82 -4.789 7.336 2.276 1.00 10.00 O ATOM 1021 CB MET A 82 -3.664 5.794 -0.157 1.00 10.00 C ATOM 1022 CG MET A 82 -3.524 5.328 -1.596 1.00 10.00 C ATOM 1023 SD MET A 82 -1.840 4.834 -2.006 1.00 10.00 S ATOM 1024 CE MET A 82 -2.058 4.252 -3.684 1.00 10.00 C ATOM 0 H MET A 82 -4.993 8.090 -0.376 1.00 10.00 H new ATOM 0 HA MET A 82 -5.732 5.245 -0.029 1.00 10.00 H new ATOM 0 HB2 MET A 82 -3.061 6.691 -0.014 1.00 10.00 H new ATOM 0 HB3 MET A 82 -3.260 5.029 0.505 1.00 10.00 H new ATOM 0 HG2 MET A 82 -4.197 4.488 -1.769 1.00 10.00 H new ATOM 0 HG3 MET A 82 -3.836 6.130 -2.265 1.00 10.00 H new ATOM 0 HE1 MET A 82 -1.101 3.911 -4.078 1.00 10.00 H new ATOM 0 HE2 MET A 82 -2.769 3.426 -3.693 1.00 10.00 H new ATOM 0 HE3 MET A 82 -2.437 5.064 -4.304 1.00 10.00 H new ATOM 1034 N GLU A 83 -5.736 5.301 2.443 1.00 10.00 N ATOM 1035 CA GLU A 83 -5.876 5.357 3.890 1.00 10.00 C ATOM 1036 C GLU A 83 -5.300 4.099 4.533 1.00 10.00 C ATOM 1037 O GLU A 83 -4.758 3.231 3.848 1.00 10.00 O ATOM 1038 CB GLU A 83 -7.349 5.518 4.269 1.00 10.00 C ATOM 1039 CG GLU A 83 -7.647 6.811 5.011 1.00 10.00 C ATOM 1040 CD GLU A 83 -6.843 6.946 6.288 1.00 10.00 C ATOM 1041 OE1 GLU A 83 -6.896 6.025 7.129 1.00 10.00 O ATOM 1042 OE2 GLU A 83 -6.156 7.973 6.458 1.00 10.00 O ATOM 0 H GLU A 83 -6.089 4.443 2.020 1.00 10.00 H new ATOM 0 HA GLU A 83 -5.320 6.218 4.260 1.00 10.00 H new ATOM 0 HB2 GLU A 83 -7.955 5.480 3.364 1.00 10.00 H new ATOM 0 HB3 GLU A 83 -7.650 4.674 4.890 1.00 10.00 H new ATOM 0 HG2 GLU A 83 -7.432 7.658 4.359 1.00 10.00 H new ATOM 0 HG3 GLU A 83 -8.710 6.853 5.249 1.00 10.00 H new ATOM 1049 N GLU A 84 -5.422 4.004 5.850 1.00 10.00 N ATOM 1050 CA GLU A 84 -4.911 2.861 6.589 1.00 10.00 C ATOM 1051 C GLU A 84 -5.813 1.646 6.383 1.00 10.00 C ATOM 1052 O GLU A 84 -7.040 1.768 6.413 1.00 10.00 O ATOM 1053 CB GLU A 84 -4.799 3.208 8.080 1.00 10.00 C ATOM 1054 CG GLU A 84 -4.258 2.082 8.949 1.00 10.00 C ATOM 1055 CD GLU A 84 -2.944 1.525 8.446 1.00 10.00 C ATOM 1056 OE1 GLU A 84 -2.031 2.320 8.150 1.00 10.00 O ATOM 1057 OE2 GLU A 84 -2.826 0.283 8.350 1.00 10.00 O ATOM 0 H GLU A 84 -5.874 4.711 6.430 1.00 10.00 H new ATOM 0 HA GLU A 84 -3.918 2.613 6.214 1.00 10.00 H new ATOM 0 HB2 GLU A 84 -4.152 4.078 8.190 1.00 10.00 H new ATOM 0 HB3 GLU A 84 -5.784 3.494 8.449 1.00 10.00 H new ATOM 0 HG2 GLU A 84 -4.125 2.448 9.967 1.00 10.00 H new ATOM 0 HG3 GLU A 84 -4.994 1.279 8.993 1.00 10.00 H new ATOM 1064 N GLU A 85 -5.189 0.483 6.175 1.00 10.00 N ATOM 1065 CA GLU A 85 -5.903 -0.776 5.952 1.00 10.00 C ATOM 1066 C GLU A 85 -6.622 -0.772 4.605 1.00 10.00 C ATOM 1067 O GLU A 85 -7.645 -1.438 4.433 1.00 10.00 O ATOM 1068 CB GLU A 85 -6.903 -1.061 7.083 1.00 10.00 C ATOM 1069 CG GLU A 85 -6.349 -1.947 8.186 1.00 10.00 C ATOM 1070 CD GLU A 85 -6.065 -3.358 7.715 1.00 10.00 C ATOM 1071 OE1 GLU A 85 -4.903 -3.642 7.363 1.00 10.00 O ATOM 1072 OE2 GLU A 85 -6.995 -4.192 7.708 1.00 10.00 O ATOM 0 H GLU A 85 -4.174 0.389 6.157 1.00 10.00 H new ATOM 0 HA GLU A 85 -5.158 -1.571 5.945 1.00 10.00 H new ATOM 0 HB2 GLU A 85 -7.224 -0.114 7.518 1.00 10.00 H new ATOM 0 HB3 GLU A 85 -7.789 -1.535 6.660 1.00 10.00 H new ATOM 0 HG2 GLU A 85 -5.431 -1.506 8.574 1.00 10.00 H new ATOM 0 HG3 GLU A 85 -7.060 -1.980 9.011 1.00 10.00 H new ATOM 1079 N ASP A 86 -6.081 -0.016 3.654 1.00 10.00 N ATOM 1080 CA ASP A 86 -6.662 0.060 2.320 1.00 10.00 C ATOM 1081 C ASP A 86 -6.275 -1.170 1.513 1.00 10.00 C ATOM 1082 O ASP A 86 -5.236 -1.782 1.766 1.00 10.00 O ATOM 1083 CB ASP A 86 -6.202 1.327 1.597 1.00 10.00 C ATOM 1084 CG ASP A 86 -7.363 2.143 1.065 1.00 10.00 C ATOM 1085 OD1 ASP A 86 -8.231 1.572 0.369 1.00 10.00 O ATOM 1086 OD2 ASP A 86 -7.418 3.359 1.340 1.00 10.00 O ATOM 0 H ASP A 86 -5.243 0.551 3.783 1.00 10.00 H new ATOM 0 HA ASP A 86 -7.747 0.097 2.420 1.00 10.00 H new ATOM 0 HB2 ASP A 86 -5.615 1.939 2.281 1.00 10.00 H new ATOM 0 HB3 ASP A 86 -5.546 1.053 0.771 1.00 10.00 H new ATOM 1091 N VAL A 87 -7.097 -1.525 0.539 1.00 10.00 N ATOM 1092 CA VAL A 87 -6.841 -2.702 -0.278 1.00 10.00 C ATOM 1093 C VAL A 87 -6.347 -2.326 -1.672 1.00 10.00 C ATOM 1094 O VAL A 87 -6.914 -1.452 -2.332 1.00 10.00 O ATOM 1095 CB VAL A 87 -8.107 -3.578 -0.406 1.00 10.00 C ATOM 1096 CG1 VAL A 87 -7.836 -4.802 -1.270 1.00 10.00 C ATOM 1097 CG2 VAL A 87 -8.608 -3.995 0.970 1.00 10.00 C ATOM 0 H VAL A 87 -7.947 -1.016 0.294 1.00 10.00 H new ATOM 0 HA VAL A 87 -6.060 -3.270 0.228 1.00 10.00 H new ATOM 0 HB VAL A 87 -8.882 -2.986 -0.892 1.00 10.00 H new ATOM 0 HG11 VAL A 87 -8.743 -5.403 -1.345 1.00 10.00 H new ATOM 0 HG12 VAL A 87 -7.529 -4.483 -2.266 1.00 10.00 H new ATOM 0 HG13 VAL A 87 -7.042 -5.398 -0.819 1.00 10.00 H new ATOM 0 HG21 VAL A 87 -9.500 -4.611 0.861 1.00 10.00 H new ATOM 0 HG22 VAL A 87 -7.833 -4.566 1.482 1.00 10.00 H new ATOM 0 HG23 VAL A 87 -8.850 -3.107 1.554 1.00 10.00 H new ATOM 1107 N ILE A 88 -5.285 -2.986 -2.106 1.00 10.00 N ATOM 1108 CA ILE A 88 -4.712 -2.755 -3.421 1.00 10.00 C ATOM 1109 C ILE A 88 -4.363 -4.101 -4.058 1.00 10.00 C ATOM 1110 O ILE A 88 -3.954 -5.034 -3.362 1.00 10.00 O ATOM 1111 CB ILE A 88 -3.465 -1.837 -3.350 1.00 10.00 C ATOM 1112 CG1 ILE A 88 -2.930 -1.549 -4.755 1.00 10.00 C ATOM 1113 CG2 ILE A 88 -2.382 -2.458 -2.478 1.00 10.00 C ATOM 1114 CD1 ILE A 88 -1.951 -0.399 -4.806 1.00 10.00 C ATOM 0 H ILE A 88 -4.798 -3.695 -1.558 1.00 10.00 H new ATOM 0 HA ILE A 88 -5.448 -2.240 -4.038 1.00 10.00 H new ATOM 0 HB ILE A 88 -3.763 -0.892 -2.895 1.00 10.00 H new ATOM 0 HG12 ILE A 88 -2.445 -2.446 -5.141 1.00 10.00 H new ATOM 0 HG13 ILE A 88 -3.769 -1.331 -5.416 1.00 10.00 H new ATOM 0 HG21 ILE A 88 -1.518 -1.795 -2.444 1.00 10.00 H new ATOM 0 HG22 ILE A 88 -2.767 -2.604 -1.469 1.00 10.00 H new ATOM 0 HG23 ILE A 88 -2.085 -3.420 -2.896 1.00 10.00 H new ATOM 0 HD11 ILE A 88 -1.614 -0.253 -5.832 1.00 10.00 H new ATOM 0 HD12 ILE A 88 -2.438 0.509 -4.451 1.00 10.00 H new ATOM 0 HD13 ILE A 88 -1.094 -0.623 -4.171 1.00 10.00 H new ATOM 1126 N GLU A 89 -4.549 -4.212 -5.364 1.00 10.00 N ATOM 1127 CA GLU A 89 -4.274 -5.458 -6.067 1.00 10.00 C ATOM 1128 C GLU A 89 -3.063 -5.328 -6.977 1.00 10.00 C ATOM 1129 O GLU A 89 -2.774 -4.249 -7.497 1.00 10.00 O ATOM 1130 CB GLU A 89 -5.491 -5.876 -6.891 1.00 10.00 C ATOM 1131 CG GLU A 89 -6.687 -6.274 -6.047 1.00 10.00 C ATOM 1132 CD GLU A 89 -7.931 -6.510 -6.877 1.00 10.00 C ATOM 1133 OE1 GLU A 89 -7.891 -7.348 -7.803 1.00 10.00 O ATOM 1134 OE2 GLU A 89 -8.962 -5.864 -6.599 1.00 10.00 O ATOM 0 H GLU A 89 -4.889 -3.456 -5.959 1.00 10.00 H new ATOM 0 HA GLU A 89 -4.058 -6.220 -5.318 1.00 10.00 H new ATOM 0 HB2 GLU A 89 -5.777 -5.053 -7.546 1.00 10.00 H new ATOM 0 HB3 GLU A 89 -5.215 -6.713 -7.533 1.00 10.00 H new ATOM 0 HG2 GLU A 89 -6.449 -7.180 -5.490 1.00 10.00 H new ATOM 0 HG3 GLU A 89 -6.886 -5.492 -5.314 1.00 10.00 H new ATOM 1141 N VAL A 90 -2.364 -6.435 -7.163 1.00 10.00 N ATOM 1142 CA VAL A 90 -1.192 -6.470 -8.019 1.00 10.00 C ATOM 1143 C VAL A 90 -1.216 -7.731 -8.879 1.00 10.00 C ATOM 1144 O VAL A 90 -1.477 -8.829 -8.385 1.00 10.00 O ATOM 1145 CB VAL A 90 0.118 -6.402 -7.196 1.00 10.00 C ATOM 1146 CG1 VAL A 90 0.273 -7.625 -6.304 1.00 10.00 C ATOM 1147 CG2 VAL A 90 1.323 -6.241 -8.112 1.00 10.00 C ATOM 0 H VAL A 90 -2.591 -7.329 -6.728 1.00 10.00 H new ATOM 0 HA VAL A 90 -1.219 -5.592 -8.665 1.00 10.00 H new ATOM 0 HB VAL A 90 0.062 -5.526 -6.550 1.00 10.00 H new ATOM 0 HG11 VAL A 90 1.202 -7.548 -5.739 1.00 10.00 H new ATOM 0 HG12 VAL A 90 -0.568 -7.680 -5.613 1.00 10.00 H new ATOM 0 HG13 VAL A 90 0.297 -8.524 -6.920 1.00 10.00 H new ATOM 0 HG21 VAL A 90 2.232 -6.195 -7.513 1.00 10.00 H new ATOM 0 HG22 VAL A 90 1.379 -7.091 -8.792 1.00 10.00 H new ATOM 0 HG23 VAL A 90 1.222 -5.321 -8.688 1.00 10.00 H new ATOM 1157 N TYR A 91 -0.980 -7.567 -10.171 1.00 10.00 N ATOM 1158 CA TYR A 91 -0.985 -8.695 -11.097 1.00 10.00 C ATOM 1159 C TYR A 91 0.152 -8.567 -12.095 1.00 10.00 C ATOM 1160 O TYR A 91 0.750 -7.499 -12.227 1.00 10.00 O ATOM 1161 CB TYR A 91 -2.323 -8.781 -11.841 1.00 10.00 C ATOM 1162 CG TYR A 91 -3.502 -9.019 -10.929 1.00 10.00 C ATOM 1163 CD1 TYR A 91 -3.843 -10.302 -10.517 1.00 10.00 C ATOM 1164 CD2 TYR A 91 -4.266 -7.957 -10.469 1.00 10.00 C ATOM 1165 CE1 TYR A 91 -4.914 -10.515 -9.672 1.00 10.00 C ATOM 1166 CE2 TYR A 91 -5.337 -8.162 -9.626 1.00 10.00 C ATOM 1167 CZ TYR A 91 -5.657 -9.442 -9.230 1.00 10.00 C ATOM 1168 OH TYR A 91 -6.724 -9.651 -8.388 1.00 10.00 O ATOM 0 H TYR A 91 -0.782 -6.665 -10.605 1.00 10.00 H new ATOM 0 HA TYR A 91 -0.848 -9.608 -10.518 1.00 10.00 H new ATOM 0 HB2 TYR A 91 -2.482 -7.856 -12.395 1.00 10.00 H new ATOM 0 HB3 TYR A 91 -2.272 -9.586 -12.574 1.00 10.00 H new ATOM 0 HD1 TYR A 91 -3.262 -11.144 -10.863 1.00 10.00 H new ATOM 0 HD2 TYR A 91 -4.018 -6.952 -10.777 1.00 10.00 H new ATOM 0 HE1 TYR A 91 -5.168 -11.517 -9.359 1.00 10.00 H new ATOM 0 HE2 TYR A 91 -5.922 -7.324 -9.278 1.00 10.00 H new ATOM 0 HH TYR A 91 -7.018 -8.794 -8.013 1.00 10.00 H new ATOM 1178 N GLN A 92 0.448 -9.654 -12.792 1.00 10.00 N ATOM 1179 CA GLN A 92 1.517 -9.654 -13.777 1.00 10.00 C ATOM 1180 C GLN A 92 1.033 -9.032 -15.079 1.00 10.00 C ATOM 1181 O GLN A 92 -0.073 -9.317 -15.537 1.00 10.00 O ATOM 1182 CB GLN A 92 2.015 -11.078 -14.032 1.00 10.00 C ATOM 1183 CG GLN A 92 3.396 -11.137 -14.668 1.00 10.00 C ATOM 1184 CD GLN A 92 3.809 -12.551 -15.014 1.00 10.00 C ATOM 1185 OE1 GLN A 92 4.344 -13.277 -14.176 1.00 10.00 O ATOM 1186 NE2 GLN A 92 3.568 -12.955 -16.252 1.00 10.00 N ATOM 0 H GLN A 92 -0.037 -10.546 -12.693 1.00 10.00 H new ATOM 0 HA GLN A 92 2.344 -9.061 -13.386 1.00 10.00 H new ATOM 0 HB2 GLN A 92 2.036 -11.621 -13.087 1.00 10.00 H new ATOM 0 HB3 GLN A 92 1.304 -11.592 -14.679 1.00 10.00 H new ATOM 0 HG2 GLN A 92 3.404 -10.527 -15.571 1.00 10.00 H new ATOM 0 HG3 GLN A 92 4.127 -10.704 -13.985 1.00 10.00 H new ATOM 0 HE21 GLN A 92 3.123 -12.323 -16.917 1.00 10.00 H new ATOM 0 HE22 GLN A 92 3.828 -13.898 -16.540 1.00 10.00 H new ATOM 1195 N GLU A 93 1.859 -8.180 -15.661 1.00 10.00 N ATOM 1196 CA GLU A 93 1.521 -7.518 -16.910 1.00 10.00 C ATOM 1197 C GLU A 93 1.725 -8.456 -18.094 1.00 10.00 C ATOM 1198 O GLU A 93 2.274 -9.550 -17.948 1.00 10.00 O ATOM 1199 CB GLU A 93 2.371 -6.259 -17.091 1.00 10.00 C ATOM 1200 CG GLU A 93 1.922 -5.091 -16.232 1.00 10.00 C ATOM 1201 CD GLU A 93 0.644 -4.451 -16.738 1.00 10.00 C ATOM 1202 OE1 GLU A 93 -0.364 -5.172 -16.914 1.00 10.00 O ATOM 1203 OE2 GLU A 93 0.638 -3.221 -16.958 1.00 10.00 O ATOM 0 H GLU A 93 2.774 -7.929 -15.286 1.00 10.00 H new ATOM 0 HA GLU A 93 0.469 -7.235 -16.869 1.00 10.00 H new ATOM 0 HB2 GLU A 93 3.409 -6.495 -16.854 1.00 10.00 H new ATOM 0 HB3 GLU A 93 2.343 -5.960 -18.139 1.00 10.00 H new ATOM 0 HG2 GLU A 93 1.771 -5.435 -15.209 1.00 10.00 H new ATOM 0 HG3 GLU A 93 2.713 -4.341 -16.203 1.00 10.00 H new ATOM 1210 N GLN A 94 1.277 -8.027 -19.265 1.00 10.00 N ATOM 1211 CA GLN A 94 1.420 -8.825 -20.474 1.00 10.00 C ATOM 1212 C GLN A 94 2.749 -8.505 -21.152 1.00 10.00 C ATOM 1213 O GLN A 94 3.132 -9.142 -22.133 1.00 10.00 O ATOM 1214 CB GLN A 94 0.251 -8.551 -21.423 1.00 10.00 C ATOM 1215 CG GLN A 94 -0.015 -9.673 -22.416 1.00 10.00 C ATOM 1216 CD GLN A 94 -1.298 -9.463 -23.193 1.00 10.00 C ATOM 1217 OE1 GLN A 94 -1.734 -8.331 -23.401 1.00 10.00 O ATOM 1218 NE2 GLN A 94 -1.912 -10.548 -23.628 1.00 10.00 N ATOM 0 H GLN A 94 0.811 -7.130 -19.404 1.00 10.00 H new ATOM 0 HA GLN A 94 1.410 -9.883 -20.210 1.00 10.00 H new ATOM 0 HB2 GLN A 94 -0.650 -8.380 -20.834 1.00 10.00 H new ATOM 0 HB3 GLN A 94 0.451 -7.632 -21.974 1.00 10.00 H new ATOM 0 HG2 GLN A 94 0.821 -9.744 -23.112 1.00 10.00 H new ATOM 0 HG3 GLN A 94 -0.068 -10.622 -21.883 1.00 10.00 H new ATOM 0 HE21 GLN A 94 -1.518 -11.469 -23.435 1.00 10.00 H new ATOM 0 HE22 GLN A 94 -2.780 -10.465 -24.157 1.00 10.00 H new ATOM 1227 N THR A 95 3.447 -7.518 -20.610 1.00 10.00 N ATOM 1228 CA THR A 95 4.728 -7.094 -21.142 1.00 10.00 C ATOM 1229 C THR A 95 5.842 -8.052 -20.724 1.00 10.00 C ATOM 1230 O THR A 95 6.410 -8.764 -21.554 1.00 10.00 O ATOM 1231 CB THR A 95 5.061 -5.670 -20.659 1.00 10.00 C ATOM 1232 OG1 THR A 95 4.693 -5.530 -19.279 1.00 10.00 O ATOM 1233 CG2 THR A 95 4.323 -4.632 -21.489 1.00 10.00 C ATOM 0 H THR A 95 3.140 -6.992 -19.792 1.00 10.00 H new ATOM 0 HA THR A 95 4.657 -7.100 -22.230 1.00 10.00 H new ATOM 0 HB THR A 95 6.133 -5.509 -20.773 1.00 10.00 H new ATOM 0 HG1 THR A 95 4.907 -4.624 -18.974 1.00 10.00 H new ATOM 0 HG21 THR A 95 4.573 -3.634 -21.130 1.00 10.00 H new ATOM 0 HG22 THR A 95 4.617 -4.726 -22.534 1.00 10.00 H new ATOM 0 HG23 THR A 95 3.248 -4.791 -21.399 1.00 10.00 H new ATOM 1241 N GLY A 96 6.145 -8.067 -19.434 1.00 10.00 N ATOM 1242 CA GLY A 96 7.186 -8.935 -18.922 1.00 10.00 C ATOM 1243 C GLY A 96 8.167 -8.186 -18.049 1.00 10.00 C ATOM 1244 O GLY A 96 8.762 -8.758 -17.134 1.00 10.00 O ATOM 0 H GLY A 96 5.686 -7.490 -18.729 1.00 10.00 H new ATOM 0 HA2 GLY A 96 6.734 -9.744 -18.348 1.00 10.00 H new ATOM 0 HA3 GLY A 96 7.718 -9.394 -19.755 1.00 10.00 H new ATOM 1248 N GLY A 97 8.330 -6.902 -18.329 1.00 10.00 N ATOM 1249 CA GLY A 97 9.235 -6.080 -17.560 1.00 10.00 C ATOM 1250 C GLY A 97 9.664 -4.857 -18.332 1.00 10.00 C ATOM 1251 O GLY A 97 10.745 -4.308 -18.033 1.00 10.00 O ATOM 0 H GLY A 97 7.846 -6.413 -19.082 1.00 10.00 H new ATOM 0 HA2 GLY A 97 8.751 -5.775 -16.632 1.00 10.00 H new ATOM 0 HA3 GLY A 97 10.113 -6.664 -17.284 1.00 10.00 H new ATOM 1256 N ASN B 357 -4.942 -16.103 5.776 1.00 10.00 N ATOM 1257 CA ASN B 357 -4.178 -15.599 6.943 1.00 10.00 C ATOM 1258 C ASN B 357 -2.683 -15.649 6.660 1.00 10.00 C ATOM 1259 O ASN B 357 -1.939 -16.360 7.325 1.00 10.00 O ATOM 1260 CB ASN B 357 -4.517 -16.424 8.202 1.00 10.00 C ATOM 1261 CG ASN B 357 -3.876 -15.881 9.474 1.00 10.00 C ATOM 1262 OD1 ASN B 357 -4.199 -14.788 9.931 1.00 10.00 O ATOM 1263 ND2 ASN B 357 -2.971 -16.653 10.052 1.00 10.00 N ATOM 0 HA ASN B 357 -4.461 -14.562 7.122 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -5.599 -16.448 8.331 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -4.192 -17.453 8.051 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -2.513 -16.347 10.910 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -2.731 -17.555 9.639 1.00 10.00 H new ATOM 1270 N ASN B 358 -2.246 -14.948 5.624 1.00 10.00 N ATOM 1271 CA ASN B 358 -0.823 -14.900 5.308 1.00 10.00 C ATOM 1272 C ASN B 358 -0.379 -13.448 5.318 1.00 10.00 C ATOM 1273 O ASN B 358 -0.897 -12.632 4.551 1.00 10.00 O ATOM 1274 CB ASN B 358 -0.562 -15.538 3.932 1.00 10.00 C ATOM 1275 CG ASN B 358 0.915 -15.605 3.564 1.00 10.00 C ATOM 1276 OD1 ASN B 358 1.789 -15.654 4.429 1.00 10.00 O ATOM 1277 ND2 ASN B 358 1.197 -15.638 2.265 1.00 10.00 N ATOM 0 H ASN B 358 -2.844 -14.412 4.996 1.00 10.00 H new ATOM 0 HA ASN B 358 -0.255 -15.462 6.049 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -0.977 -16.546 3.923 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -1.093 -14.968 3.169 1.00 10.00 H new ATOM 0 HD21 ASN B 358 2.166 -15.706 1.955 1.00 10.00 H new ATOM 0 HD22 ASN B 358 0.444 -15.595 1.578 1.00 10.00 H new ATOM 1284 N ARG B 359 0.590 -13.123 6.162 1.00 10.00 N ATOM 1285 CA ARG B 359 1.061 -11.748 6.249 1.00 10.00 C ATOM 1286 C ARG B 359 2.569 -11.625 6.066 1.00 10.00 C ATOM 1287 O ARG B 359 3.353 -12.340 6.699 1.00 10.00 O ATOM 1288 CB ARG B 359 0.639 -11.101 7.577 1.00 10.00 C ATOM 1289 CG ARG B 359 1.208 -11.789 8.810 1.00 10.00 C ATOM 1290 CD ARG B 359 1.125 -10.904 10.052 1.00 10.00 C ATOM 1291 NE ARG B 359 1.769 -11.522 11.207 1.00 10.00 N ATOM 1292 CZ ARG B 359 1.892 -10.948 12.400 1.00 10.00 C ATOM 1293 NH1 ARG B 359 1.418 -9.723 12.618 1.00 10.00 N ATOM 1294 NH2 ARG B 359 2.495 -11.605 13.380 1.00 10.00 N ATOM 0 H ARG B 359 1.059 -13.780 6.786 1.00 10.00 H new ATOM 0 HA ARG B 359 0.589 -11.215 5.424 1.00 10.00 H new ATOM 0 HB2 ARG B 359 0.955 -10.058 7.577 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -0.449 -11.105 7.641 1.00 10.00 H new ATOM 0 HG2 ARG B 359 0.665 -12.717 8.990 1.00 10.00 H new ATOM 0 HG3 ARG B 359 2.248 -12.059 8.627 1.00 10.00 H new ATOM 0 HD2 ARG B 359 1.596 -9.943 9.845 1.00 10.00 H new ATOM 0 HD3 ARG B 359 0.079 -10.702 10.285 1.00 10.00 H new ATOM 0 HE ARG B 359 2.152 -12.460 11.091 1.00 10.00 H new ATOM 0 HH11 ARG B 359 0.954 -9.214 11.865 1.00 10.00 H new ATOM 0 HH12 ARG B 359 1.519 -9.293 13.538 1.00 10.00 H new ATOM 0 HH21 ARG B 359 2.860 -12.543 13.216 1.00 10.00 H new ATOM 0 HH22 ARG B 359 2.594 -11.173 14.299 1.00 10.00 H new ATOM 1308 N ASP B 360 2.946 -10.743 5.169 1.00 10.00 N ATOM 1309 CA ASP B 360 4.342 -10.427 4.924 1.00 10.00 C ATOM 1310 C ASP B 360 4.490 -8.922 5.109 1.00 10.00 C ATOM 1311 O ASP B 360 3.721 -8.164 4.527 1.00 10.00 O ATOM 1312 CB ASP B 360 4.770 -10.870 3.520 1.00 10.00 C ATOM 1313 CG ASP B 360 6.259 -10.699 3.299 1.00 10.00 C ATOM 1314 OD1 ASP B 360 6.654 -10.159 2.250 1.00 10.00 O ATOM 1315 OD2 ASP B 360 7.042 -11.100 4.188 1.00 10.00 O ATOM 0 H ASP B 360 2.294 -10.220 4.584 1.00 10.00 H new ATOM 0 HA ASP B 360 4.991 -10.961 5.618 1.00 10.00 H new ATOM 0 HB2 ASP B 360 4.499 -11.915 3.372 1.00 10.00 H new ATOM 0 HB3 ASP B 360 4.224 -10.291 2.775 1.00 10.00 H new ATOM 1320 N PRO B 361 5.467 -8.452 5.905 1.00 10.00 N ATOM 1321 CA PRO B 361 5.636 -7.029 6.154 1.00 10.00 C ATOM 1322 C PRO B 361 6.882 -6.429 5.504 1.00 10.00 C ATOM 1323 O PRO B 361 8.004 -6.907 5.680 1.00 10.00 O ATOM 1324 CB PRO B 361 5.790 -7.051 7.678 1.00 10.00 C ATOM 1325 CG PRO B 361 6.554 -8.319 7.960 1.00 10.00 C ATOM 1326 CD PRO B 361 6.374 -9.229 6.758 1.00 10.00 C ATOM 0 HA PRO B 361 4.826 -6.421 5.751 1.00 10.00 H new ATOM 0 HB2 PRO B 361 6.330 -6.174 8.035 1.00 10.00 H new ATOM 0 HB3 PRO B 361 4.820 -7.053 8.175 1.00 10.00 H new ATOM 0 HG2 PRO B 361 7.610 -8.103 8.125 1.00 10.00 H new ATOM 0 HG3 PRO B 361 6.182 -8.799 8.865 1.00 10.00 H new ATOM 0 HD2 PRO B 361 7.321 -9.436 6.260 1.00 10.00 H new ATOM 0 HD3 PRO B 361 5.944 -10.191 7.038 1.00 10.00 H new ATOM 1334 N ILE B 362 6.658 -5.352 4.765 1.00 10.00 N ATOM 1335 CA ILE B 362 7.713 -4.644 4.061 1.00 10.00 C ATOM 1336 C ILE B 362 7.810 -3.215 4.566 1.00 10.00 C ATOM 1337 O ILE B 362 6.794 -2.537 4.744 1.00 10.00 O ATOM 1338 CB ILE B 362 7.503 -4.624 2.534 1.00 10.00 C ATOM 1339 CG1 ILE B 362 6.941 -5.959 2.055 1.00 10.00 C ATOM 1340 CG2 ILE B 362 8.817 -4.315 1.821 1.00 10.00 C ATOM 1341 CD1 ILE B 362 6.524 -5.944 0.604 1.00 10.00 C ATOM 0 H ILE B 362 5.732 -4.944 4.637 1.00 10.00 H new ATOM 0 HA ILE B 362 8.638 -5.184 4.262 1.00 10.00 H new ATOM 0 HB ILE B 362 6.784 -3.840 2.294 1.00 10.00 H new ATOM 0 HG12 ILE B 362 7.692 -6.735 2.202 1.00 10.00 H new ATOM 0 HG13 ILE B 362 6.082 -6.226 2.670 1.00 10.00 H new ATOM 0 HG21 ILE B 362 8.653 -4.304 0.744 1.00 10.00 H new ATOM 0 HG22 ILE B 362 9.184 -3.340 2.142 1.00 10.00 H new ATOM 0 HG23 ILE B 362 9.554 -5.080 2.068 1.00 10.00 H new ATOM 0 HD11 ILE B 362 6.134 -6.923 0.328 1.00 10.00 H new ATOM 0 HD12 ILE B 362 5.751 -5.190 0.455 1.00 10.00 H new ATOM 0 HD13 ILE B 362 7.386 -5.708 -0.020 1.00 10.00 H new ATOM 1353 N VAL B 363 9.030 -2.758 4.789 1.00 10.00 N ATOM 1354 CA VAL B 363 9.261 -1.414 5.297 1.00 10.00 C ATOM 1355 C VAL B 363 9.954 -0.573 4.240 1.00 10.00 C ATOM 1356 O VAL B 363 10.892 -1.025 3.581 1.00 10.00 O ATOM 1357 CB VAL B 363 10.111 -1.409 6.581 1.00 10.00 C ATOM 1358 CG1 VAL B 363 9.773 -0.202 7.444 1.00 10.00 C ATOM 1359 CG2 VAL B 363 9.917 -2.696 7.365 1.00 10.00 C ATOM 0 H VAL B 363 9.879 -3.299 4.626 1.00 10.00 H new ATOM 0 HA VAL B 363 8.285 -0.993 5.540 1.00 10.00 H new ATOM 0 HB VAL B 363 11.160 -1.343 6.291 1.00 10.00 H new ATOM 0 HG11 VAL B 363 10.384 -0.217 8.346 1.00 10.00 H new ATOM 0 HG12 VAL B 363 9.973 0.712 6.885 1.00 10.00 H new ATOM 0 HG13 VAL B 363 8.719 -0.235 7.719 1.00 10.00 H new ATOM 0 HG21 VAL B 363 10.528 -2.668 8.267 1.00 10.00 H new ATOM 0 HG22 VAL B 363 8.867 -2.800 7.640 1.00 10.00 H new ATOM 0 HG23 VAL B 363 10.216 -3.545 6.750 1.00 10.00 H new ATOM 1369 N ILE B 364 9.465 0.639 4.086 1.00 10.00 N ATOM 1370 CA ILE B 364 9.959 1.572 3.091 1.00 10.00 C ATOM 1371 C ILE B 364 10.618 2.768 3.750 1.00 10.00 C ATOM 1372 O ILE B 364 10.206 3.204 4.827 1.00 10.00 O ATOM 1373 CB ILE B 364 8.838 2.046 2.135 1.00 10.00 C ATOM 1374 CG1 ILE B 364 9.433 2.425 0.777 1.00 10.00 C ATOM 1375 CG2 ILE B 364 8.049 3.219 2.721 1.00 10.00 C ATOM 1376 CD1 ILE B 364 10.037 1.249 0.038 1.00 10.00 C ATOM 0 H ILE B 364 8.704 1.010 4.654 1.00 10.00 H new ATOM 0 HA ILE B 364 10.702 1.039 2.498 1.00 10.00 H new ATOM 0 HB ILE B 364 8.140 1.219 2.003 1.00 10.00 H new ATOM 0 HG12 ILE B 364 8.654 2.872 0.159 1.00 10.00 H new ATOM 0 HG13 ILE B 364 10.200 3.186 0.924 1.00 10.00 H new ATOM 0 HG21 ILE B 364 7.272 3.522 2.019 1.00 10.00 H new ATOM 0 HG22 ILE B 364 7.590 2.915 3.662 1.00 10.00 H new ATOM 0 HG23 ILE B 364 8.722 4.057 2.900 1.00 10.00 H new ATOM 0 HD11 ILE B 364 10.441 1.587 -0.916 1.00 10.00 H new ATOM 0 HD12 ILE B 364 10.838 0.815 0.637 1.00 10.00 H new ATOM 0 HD13 ILE B 364 9.268 0.497 -0.139 1.00 10.00 H new