USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 608 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 NoAdj-H: A 18 HIS HD1 : A 18 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HD1 : A 56 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 13 HIS : no HD1:sc= -2.4 K(o=-2.6,f=-0.97) USER MOD Set 1.2: A 46 TYR OH : rot 30:sc= -0.237 USER MOD Set 1.3: A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0488 (180deg=0) USER MOD Single : A 2 SER OG : rot 15:sc= 0.0718 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -130:sc= 0.144 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -4.23! C(o=-4.2!,f=-2.5!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -4.56! C(o=-4.6!,f=-13!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 43 LYS NZ :NH3+ -120:sc=-0.00111 (180deg=-0.139) USER MOD Single : A 44 GLN : amide:sc= -8.95! C(o=-9!,f=-12!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.804 K(o=-0.8,f=-0.17) USER MOD Single : A 52 ASN : amide:sc= -1.45! C(o=-1.4!,f=-2.8!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc=-0.00641 USER MOD Single : A 77 THR OG1 : rot -58:sc= 0.653 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= -0.0132 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.842 3.060 -8.672 1.00 0.00 N ATOM 2 CA GLY A 1 -21.493 2.635 -8.345 1.00 0.00 C ATOM 3 C GLY A 1 -20.739 2.115 -9.553 1.00 0.00 C ATOM 4 O GLY A 1 -21.346 1.665 -10.525 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.897 4.098 -8.635 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.086 2.734 -9.629 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.510 2.653 -7.986 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.946 3.473 -7.913 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.535 1.856 -7.584 1.00 0.00 H new ATOM 8 N SER A 2 -19.414 2.178 -9.493 1.00 0.00 N ATOM 9 CA SER A 2 -18.576 1.716 -10.593 1.00 0.00 C ATOM 10 C SER A 2 -17.296 1.073 -10.068 1.00 0.00 C ATOM 11 O SER A 2 -16.948 1.224 -8.897 1.00 0.00 O ATOM 12 CB SER A 2 -18.230 2.880 -11.524 1.00 0.00 C ATOM 13 OG SER A 2 -19.301 3.160 -12.409 1.00 0.00 O ATOM 0 H SER A 2 -18.897 2.545 -8.694 1.00 0.00 H new ATOM 0 HA SER A 2 -19.136 0.967 -11.153 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.001 3.767 -10.933 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.335 2.638 -12.097 1.00 0.00 H new ATOM 0 HG SER A 2 -20.114 2.714 -12.091 1.00 0.00 H new ATOM 19 N SER A 3 -16.599 0.355 -10.944 1.00 0.00 N ATOM 20 CA SER A 3 -15.359 -0.314 -10.570 1.00 0.00 C ATOM 21 C SER A 3 -14.702 -0.961 -11.785 1.00 0.00 C ATOM 22 O SER A 3 -15.383 -1.476 -12.672 1.00 0.00 O ATOM 23 CB SER A 3 -15.630 -1.373 -9.499 1.00 0.00 C ATOM 24 OG SER A 3 -14.467 -2.139 -9.233 1.00 0.00 O ATOM 0 H SER A 3 -16.873 0.222 -11.918 1.00 0.00 H new ATOM 0 HA SER A 3 -14.678 0.436 -10.167 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.968 -0.890 -8.583 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.435 -2.030 -9.828 1.00 0.00 H new ATOM 0 HG SER A 3 -14.666 -2.807 -8.544 1.00 0.00 H new ATOM 30 N GLY A 4 -13.374 -0.931 -11.818 1.00 0.00 N ATOM 31 CA GLY A 4 -12.645 -1.517 -12.929 1.00 0.00 C ATOM 32 C GLY A 4 -11.296 -2.067 -12.511 1.00 0.00 C ATOM 33 O GLY A 4 -11.034 -2.251 -11.322 1.00 0.00 O ATOM 0 H GLY A 4 -12.789 -0.511 -11.095 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.240 -2.318 -13.368 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.503 -0.764 -13.704 1.00 0.00 H new ATOM 37 N SER A 5 -10.438 -2.331 -13.492 1.00 0.00 N ATOM 38 CA SER A 5 -9.109 -2.868 -13.220 1.00 0.00 C ATOM 39 C SER A 5 -8.027 -1.960 -13.797 1.00 0.00 C ATOM 40 O SER A 5 -7.091 -1.570 -13.099 1.00 0.00 O ATOM 41 CB SER A 5 -8.976 -4.274 -13.806 1.00 0.00 C ATOM 42 OG SER A 5 -7.953 -5.005 -13.151 1.00 0.00 O ATOM 0 H SER A 5 -10.639 -2.182 -14.481 1.00 0.00 H new ATOM 0 HA SER A 5 -8.978 -2.918 -12.139 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.924 -4.803 -13.709 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.755 -4.208 -14.871 1.00 0.00 H new ATOM 0 HG SER A 5 -7.889 -5.901 -13.543 1.00 0.00 H new ATOM 48 N SER A 6 -8.164 -1.627 -15.077 1.00 0.00 N ATOM 49 CA SER A 6 -7.197 -0.767 -15.751 1.00 0.00 C ATOM 50 C SER A 6 -5.789 -1.015 -15.219 1.00 0.00 C ATOM 51 O SER A 6 -5.050 -0.074 -14.927 1.00 0.00 O ATOM 52 CB SER A 6 -7.574 0.703 -15.566 1.00 0.00 C ATOM 53 OG SER A 6 -7.478 1.087 -14.206 1.00 0.00 O ATOM 0 H SER A 6 -8.935 -1.939 -15.668 1.00 0.00 H new ATOM 0 HA SER A 6 -7.213 -1.006 -16.814 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.918 1.329 -16.171 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.590 0.869 -15.923 1.00 0.00 H new ATOM 0 HG SER A 6 -7.723 2.032 -14.115 1.00 0.00 H new ATOM 59 N GLY A 7 -5.423 -2.287 -15.096 1.00 0.00 N ATOM 60 CA GLY A 7 -4.105 -2.635 -14.600 1.00 0.00 C ATOM 61 C GLY A 7 -3.006 -1.813 -15.244 1.00 0.00 C ATOM 62 O GLY A 7 -3.240 -1.115 -16.231 1.00 0.00 O ATOM 0 H GLY A 7 -6.016 -3.083 -15.331 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.077 -2.490 -13.520 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.919 -3.693 -14.785 1.00 0.00 H new ATOM 66 N LYS A 8 -1.804 -1.893 -14.685 1.00 0.00 N ATOM 67 CA LYS A 8 -0.664 -1.151 -15.210 1.00 0.00 C ATOM 68 C LYS A 8 0.643 -1.873 -14.905 1.00 0.00 C ATOM 69 O LYS A 8 0.647 -2.919 -14.255 1.00 0.00 O ATOM 70 CB LYS A 8 -0.631 0.259 -14.616 1.00 0.00 C ATOM 71 CG LYS A 8 -0.458 0.280 -13.107 1.00 0.00 C ATOM 72 CD LYS A 8 -0.168 1.682 -12.598 1.00 0.00 C ATOM 73 CE LYS A 8 1.320 1.991 -12.637 1.00 0.00 C ATOM 74 NZ LYS A 8 2.022 1.498 -11.420 1.00 0.00 N ATOM 0 H LYS A 8 -1.594 -2.465 -13.867 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.775 -1.081 -16.292 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.185 0.818 -15.075 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.556 0.775 -14.874 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.362 -0.101 -12.631 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.357 -0.386 -12.824 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.708 2.409 -13.204 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.535 1.783 -11.577 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.763 1.533 -13.522 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.465 3.067 -12.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.603 2.262 -11.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.321 1.192 -10.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.632 0.695 -11.673 1.00 0.00 H new ATOM 88 N GLN A 9 1.750 -1.309 -15.377 1.00 0.00 N ATOM 89 CA GLN A 9 3.064 -1.901 -15.153 1.00 0.00 C ATOM 90 C GLN A 9 3.443 -1.842 -13.677 1.00 0.00 C ATOM 91 O GLN A 9 3.465 -0.769 -13.073 1.00 0.00 O ATOM 92 CB GLN A 9 4.121 -1.181 -15.992 1.00 0.00 C ATOM 93 CG GLN A 9 3.873 -1.268 -17.489 1.00 0.00 C ATOM 94 CD GLN A 9 5.087 -0.873 -18.306 1.00 0.00 C ATOM 95 OE1 GLN A 9 5.103 0.179 -18.947 1.00 0.00 O ATOM 96 NE2 GLN A 9 6.112 -1.716 -18.288 1.00 0.00 N ATOM 0 H GLN A 9 1.763 -0.443 -15.917 1.00 0.00 H new ATOM 0 HA GLN A 9 3.020 -2.947 -15.457 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.153 -0.132 -15.698 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.100 -1.605 -15.769 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.582 -2.286 -17.747 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.036 -0.621 -17.753 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.055 -2.576 -17.743 1.00 0.00 H new ATOM 0 HE22 GLN A 9 6.956 -1.504 -18.819 1.00 0.00 H new ATOM 105 N ALA A 10 3.741 -3.002 -13.101 1.00 0.00 N ATOM 106 CA ALA A 10 4.121 -3.082 -11.696 1.00 0.00 C ATOM 107 C ALA A 10 4.568 -4.493 -11.328 1.00 0.00 C ATOM 108 O ALA A 10 4.660 -5.371 -12.186 1.00 0.00 O ATOM 109 CB ALA A 10 2.964 -2.645 -10.810 1.00 0.00 C ATOM 0 H ALA A 10 3.727 -3.899 -13.586 1.00 0.00 H new ATOM 0 HA ALA A 10 4.962 -2.408 -11.534 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.262 -2.710 -9.764 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.693 -1.616 -11.047 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.107 -3.295 -10.984 1.00 0.00 H new ATOM 115 N LYS A 11 4.846 -4.705 -10.045 1.00 0.00 N ATOM 116 CA LYS A 11 5.284 -6.009 -9.562 1.00 0.00 C ATOM 117 C LYS A 11 4.717 -6.293 -8.175 1.00 0.00 C ATOM 118 O LYS A 11 4.138 -5.412 -7.538 1.00 0.00 O ATOM 119 CB LYS A 11 6.812 -6.075 -9.523 1.00 0.00 C ATOM 120 CG LYS A 11 7.426 -5.289 -8.378 1.00 0.00 C ATOM 121 CD LYS A 11 7.614 -3.826 -8.742 1.00 0.00 C ATOM 122 CE LYS A 11 8.351 -3.069 -7.648 1.00 0.00 C ATOM 123 NZ LYS A 11 8.325 -1.598 -7.877 1.00 0.00 N ATOM 0 H LYS A 11 4.775 -3.990 -9.321 1.00 0.00 H new ATOM 0 HA LYS A 11 4.912 -6.768 -10.250 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.120 -7.117 -9.443 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.208 -5.697 -10.466 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.787 -5.367 -7.499 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.389 -5.725 -8.112 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.171 -3.751 -9.676 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.641 -3.365 -8.913 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.898 -3.294 -6.682 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.385 -3.411 -7.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.838 -1.118 -7.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.780 -1.380 -8.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.339 -1.267 -7.895 1.00 0.00 H new ATOM 137 N ILE A 12 4.886 -7.527 -7.713 1.00 0.00 N ATOM 138 CA ILE A 12 4.394 -7.925 -6.400 1.00 0.00 C ATOM 139 C ILE A 12 5.513 -7.909 -5.365 1.00 0.00 C ATOM 140 O ILE A 12 6.632 -8.347 -5.637 1.00 0.00 O ATOM 141 CB ILE A 12 3.764 -9.331 -6.438 1.00 0.00 C ATOM 142 CG1 ILE A 12 2.702 -9.408 -7.536 1.00 0.00 C ATOM 143 CG2 ILE A 12 3.163 -9.677 -5.084 1.00 0.00 C ATOM 144 CD1 ILE A 12 2.269 -10.821 -7.858 1.00 0.00 C ATOM 0 H ILE A 12 5.360 -8.269 -8.228 1.00 0.00 H new ATOM 0 HA ILE A 12 3.630 -7.201 -6.116 1.00 0.00 H new ATOM 0 HB ILE A 12 4.544 -10.058 -6.664 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.830 -8.830 -7.229 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.091 -8.941 -8.441 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.722 -10.673 -5.126 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.944 -9.658 -4.324 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.392 -8.949 -4.831 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.515 -10.800 -8.645 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.130 -11.397 -8.196 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.850 -11.285 -6.965 1.00 0.00 H new ATOM 156 N HIS A 13 5.205 -7.402 -4.175 1.00 0.00 N ATOM 157 CA HIS A 13 6.184 -7.330 -3.097 1.00 0.00 C ATOM 158 C HIS A 13 5.981 -8.470 -2.102 1.00 0.00 C ATOM 159 O HIS A 13 5.022 -8.468 -1.329 1.00 0.00 O ATOM 160 CB HIS A 13 6.085 -5.985 -2.377 1.00 0.00 C ATOM 161 CG HIS A 13 6.083 -4.808 -3.304 1.00 0.00 C ATOM 162 ND1 HIS A 13 6.863 -3.690 -3.099 1.00 0.00 N ATOM 163 CD2 HIS A 13 5.394 -4.583 -4.446 1.00 0.00 C ATOM 164 CE1 HIS A 13 6.651 -2.824 -4.075 1.00 0.00 C ATOM 165 NE2 HIS A 13 5.764 -3.342 -4.906 1.00 0.00 N ATOM 0 H HIS A 13 4.285 -7.035 -3.933 1.00 0.00 H new ATOM 0 HA HIS A 13 7.177 -7.426 -3.535 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.173 -5.968 -1.780 1.00 0.00 H new ATOM 0 HB3 HIS A 13 6.922 -5.890 -1.685 1.00 0.00 H new ATOM 0 HD2 HIS A 13 4.685 -5.253 -4.910 1.00 0.00 H new ATOM 0 HE1 HIS A 13 7.123 -1.858 -4.176 1.00 0.00 H new ATOM 0 HE2 HIS A 13 5.411 -2.894 -5.752 1.00 0.00 H new ATOM 173 N TYR A 14 6.887 -9.440 -2.129 1.00 0.00 N ATOM 174 CA TYR A 14 6.805 -10.586 -1.232 1.00 0.00 C ATOM 175 C TYR A 14 7.290 -10.219 0.168 1.00 0.00 C ATOM 176 O TYR A 14 8.224 -10.826 0.693 1.00 0.00 O ATOM 177 CB TYR A 14 7.633 -11.750 -1.780 1.00 0.00 C ATOM 178 CG TYR A 14 7.307 -12.100 -3.215 1.00 0.00 C ATOM 179 CD1 TYR A 14 5.991 -12.161 -3.655 1.00 0.00 C ATOM 180 CD2 TYR A 14 8.316 -12.371 -4.131 1.00 0.00 C ATOM 181 CE1 TYR A 14 5.689 -12.481 -4.963 1.00 0.00 C ATOM 182 CE2 TYR A 14 8.024 -12.691 -5.442 1.00 0.00 C ATOM 183 CZ TYR A 14 6.709 -12.745 -5.853 1.00 0.00 C ATOM 184 OH TYR A 14 6.413 -13.065 -7.159 1.00 0.00 O ATOM 0 H TYR A 14 7.687 -9.456 -2.762 1.00 0.00 H new ATOM 0 HA TYR A 14 5.760 -10.890 -1.168 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.691 -11.499 -1.707 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.470 -12.628 -1.154 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.190 -11.954 -2.961 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.347 -12.331 -3.812 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.660 -12.524 -5.288 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.821 -12.898 -6.141 1.00 0.00 H new ATOM 0 HH TYR A 14 7.244 -13.221 -7.654 1.00 0.00 H new ATOM 194 N ILE A 15 6.647 -9.222 0.767 1.00 0.00 N ATOM 195 CA ILE A 15 7.010 -8.774 2.105 1.00 0.00 C ATOM 196 C ILE A 15 6.140 -9.444 3.163 1.00 0.00 C ATOM 197 O ILE A 15 4.932 -9.600 2.983 1.00 0.00 O ATOM 198 CB ILE A 15 6.881 -7.246 2.242 1.00 0.00 C ATOM 199 CG1 ILE A 15 8.170 -6.560 1.786 1.00 0.00 C ATOM 200 CG2 ILE A 15 6.554 -6.869 3.679 1.00 0.00 C ATOM 201 CD1 ILE A 15 8.146 -6.132 0.335 1.00 0.00 C ATOM 0 H ILE A 15 5.872 -8.709 0.346 1.00 0.00 H new ATOM 0 HA ILE A 15 8.051 -9.057 2.261 1.00 0.00 H new ATOM 0 HB ILE A 15 6.066 -6.907 1.603 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.347 -5.685 2.412 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.008 -7.239 1.942 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.466 -5.786 3.760 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.612 -7.332 3.971 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.350 -7.218 4.337 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.092 -5.653 0.081 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.000 -7.006 -0.300 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.329 -5.428 0.177 1.00 0.00 H new ATOM 213 N LYS A 16 6.761 -9.836 4.271 1.00 0.00 N ATOM 214 CA LYS A 16 6.045 -10.487 5.361 1.00 0.00 C ATOM 215 C LYS A 16 5.105 -11.563 4.829 1.00 0.00 C ATOM 216 O LYS A 16 4.099 -11.889 5.458 1.00 0.00 O ATOM 217 CB LYS A 16 5.252 -9.454 6.165 1.00 0.00 C ATOM 218 CG LYS A 16 6.115 -8.365 6.777 1.00 0.00 C ATOM 219 CD LYS A 16 6.711 -8.805 8.103 1.00 0.00 C ATOM 220 CE LYS A 16 7.911 -7.952 8.486 1.00 0.00 C ATOM 221 NZ LYS A 16 8.609 -8.486 9.689 1.00 0.00 N ATOM 0 H LYS A 16 7.760 -9.714 4.437 1.00 0.00 H new ATOM 0 HA LYS A 16 6.779 -10.961 6.013 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.508 -8.994 5.515 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.708 -9.965 6.960 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.916 -8.103 6.086 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.517 -7.466 6.926 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.953 -8.739 8.883 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.012 -9.851 8.038 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.609 -7.910 7.650 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.584 -6.930 8.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.421 -7.877 9.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.950 -8.502 10.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.944 -9.452 9.496 1.00 0.00 H new ATOM 235 N ASN A 17 5.439 -12.113 3.666 1.00 0.00 N ATOM 236 CA ASN A 17 4.624 -13.154 3.050 1.00 0.00 C ATOM 237 C ASN A 17 3.356 -12.564 2.442 1.00 0.00 C ATOM 238 O ASN A 17 2.296 -13.193 2.457 1.00 0.00 O ATOM 239 CB ASN A 17 4.260 -14.223 4.082 1.00 0.00 C ATOM 240 CG ASN A 17 5.347 -14.419 5.120 1.00 0.00 C ATOM 241 OD1 ASN A 17 6.494 -14.719 4.786 1.00 0.00 O ATOM 242 ND2 ASN A 17 4.992 -14.251 6.389 1.00 0.00 N ATOM 0 H ASN A 17 6.268 -11.855 3.131 1.00 0.00 H new ATOM 0 HA ASN A 17 5.208 -13.613 2.252 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.332 -13.942 4.580 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.074 -15.168 3.572 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.681 -14.370 7.131 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.030 -14.003 6.621 1.00 0.00 H new ATOM 249 N HIS A 18 3.471 -11.353 1.908 1.00 0.00 N ATOM 250 CA HIS A 18 2.333 -10.678 1.294 1.00 0.00 C ATOM 251 C HIS A 18 2.549 -10.503 -0.206 1.00 0.00 C ATOM 252 O HIS A 18 3.625 -10.799 -0.726 1.00 0.00 O ATOM 253 CB HIS A 18 2.107 -9.314 1.950 1.00 0.00 C ATOM 254 CG HIS A 18 1.328 -9.386 3.226 1.00 0.00 C ATOM 255 ND1 HIS A 18 -0.042 -9.242 3.281 1.00 0.00 N ATOM 256 CD2 HIS A 18 1.734 -9.589 4.502 1.00 0.00 C ATOM 257 CE1 HIS A 18 -0.445 -9.352 4.534 1.00 0.00 C ATOM 258 NE2 HIS A 18 0.614 -9.563 5.295 1.00 0.00 N ATOM 0 H HIS A 18 4.340 -10.819 1.888 1.00 0.00 H new ATOM 0 HA HIS A 18 1.450 -11.298 1.447 1.00 0.00 H new ATOM 0 HB2 HIS A 18 3.074 -8.851 2.149 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.582 -8.665 1.249 1.00 0.00 H new ATOM 0 HD2 HIS A 18 2.750 -9.743 4.834 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.466 -9.281 4.878 1.00 0.00 H new ATOM 0 HE2 HIS A 18 0.601 -9.687 6.307 1.00 0.00 H new ATOM 266 N GLU A 19 1.520 -10.023 -0.897 1.00 0.00 N ATOM 267 CA GLU A 19 1.598 -9.812 -2.337 1.00 0.00 C ATOM 268 C GLU A 19 1.301 -8.358 -2.692 1.00 0.00 C ATOM 269 O GLU A 19 0.843 -8.057 -3.794 1.00 0.00 O ATOM 270 CB GLU A 19 0.618 -10.736 -3.065 1.00 0.00 C ATOM 271 CG GLU A 19 1.187 -12.113 -3.363 1.00 0.00 C ATOM 272 CD GLU A 19 1.674 -12.826 -2.116 1.00 0.00 C ATOM 273 OE1 GLU A 19 0.980 -12.751 -1.080 1.00 0.00 O ATOM 274 OE2 GLU A 19 2.749 -13.459 -2.177 1.00 0.00 O ATOM 0 H GLU A 19 0.622 -9.773 -0.482 1.00 0.00 H new ATOM 0 HA GLU A 19 2.613 -10.046 -2.657 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.282 -10.847 -2.460 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.316 -10.266 -4.001 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.423 -12.720 -3.849 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.013 -12.016 -4.067 1.00 0.00 H new ATOM 281 N PHE A 20 1.566 -7.460 -1.749 1.00 0.00 N ATOM 282 CA PHE A 20 1.326 -6.038 -1.959 1.00 0.00 C ATOM 283 C PHE A 20 1.672 -5.634 -3.390 1.00 0.00 C ATOM 284 O PHE A 20 2.838 -5.647 -3.785 1.00 0.00 O ATOM 285 CB PHE A 20 2.147 -5.208 -0.970 1.00 0.00 C ATOM 286 CG PHE A 20 1.866 -5.539 0.468 1.00 0.00 C ATOM 287 CD1 PHE A 20 0.582 -5.438 0.977 1.00 0.00 C ATOM 288 CD2 PHE A 20 2.886 -5.951 1.310 1.00 0.00 C ATOM 289 CE1 PHE A 20 0.321 -5.740 2.300 1.00 0.00 C ATOM 290 CE2 PHE A 20 2.631 -6.256 2.634 1.00 0.00 C ATOM 291 CZ PHE A 20 1.346 -6.151 3.129 1.00 0.00 C ATOM 0 H PHE A 20 1.947 -7.692 -0.832 1.00 0.00 H new ATOM 0 HA PHE A 20 0.266 -5.845 -1.791 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.207 -5.363 -1.170 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.943 -4.151 -1.138 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.224 -5.120 0.333 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.892 -6.035 0.927 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.684 -5.655 2.685 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.435 -6.576 3.280 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.143 -6.390 4.163 1.00 0.00 H new ATOM 301 N ILE A 21 0.651 -5.275 -4.160 1.00 0.00 N ATOM 302 CA ILE A 21 0.847 -4.867 -5.545 1.00 0.00 C ATOM 303 C ILE A 21 0.690 -3.358 -5.701 1.00 0.00 C ATOM 304 O ILE A 21 -0.267 -2.768 -5.201 1.00 0.00 O ATOM 305 CB ILE A 21 -0.146 -5.575 -6.487 1.00 0.00 C ATOM 306 CG1 ILE A 21 0.348 -6.985 -6.817 1.00 0.00 C ATOM 307 CG2 ILE A 21 -0.341 -4.764 -7.758 1.00 0.00 C ATOM 308 CD1 ILE A 21 -0.543 -7.726 -7.790 1.00 0.00 C ATOM 0 H ILE A 21 -0.320 -5.258 -3.848 1.00 0.00 H new ATOM 0 HA ILE A 21 1.862 -5.155 -5.818 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.108 -5.657 -5.982 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.353 -6.921 -7.234 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.422 -7.560 -5.894 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.045 -5.277 -8.413 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.733 -3.779 -7.505 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.615 -4.653 -8.269 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.131 -8.718 -7.978 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.543 -7.822 -7.367 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.597 -7.173 -8.727 1.00 0.00 H new ATOM 320 N ALA A 22 1.635 -2.740 -6.402 1.00 0.00 N ATOM 321 CA ALA A 22 1.600 -1.300 -6.628 1.00 0.00 C ATOM 322 C ALA A 22 0.269 -0.872 -7.238 1.00 0.00 C ATOM 323 O ALA A 22 -0.108 -1.331 -8.317 1.00 0.00 O ATOM 324 CB ALA A 22 2.753 -0.878 -7.526 1.00 0.00 C ATOM 0 H ALA A 22 2.434 -3.214 -6.823 1.00 0.00 H new ATOM 0 HA ALA A 22 1.705 -0.804 -5.663 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.714 0.199 -7.686 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.699 -1.140 -7.052 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.674 -1.390 -8.485 1.00 0.00 H new ATOM 330 N THR A 23 -0.442 0.008 -6.539 1.00 0.00 N ATOM 331 CA THR A 23 -1.732 0.496 -7.010 1.00 0.00 C ATOM 332 C THR A 23 -1.964 1.939 -6.578 1.00 0.00 C ATOM 333 O THR A 23 -1.398 2.400 -5.586 1.00 0.00 O ATOM 334 CB THR A 23 -2.888 -0.378 -6.488 1.00 0.00 C ATOM 335 OG1 THR A 23 -4.040 -0.215 -7.322 1.00 0.00 O ATOM 336 CG2 THR A 23 -3.237 -0.011 -5.053 1.00 0.00 C ATOM 0 H THR A 23 -0.145 0.397 -5.644 1.00 0.00 H new ATOM 0 HA THR A 23 -1.712 0.445 -8.099 1.00 0.00 H new ATOM 0 HB THR A 23 -2.568 -1.420 -6.512 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.770 -0.775 -6.985 1.00 0.00 H new ATOM 0 HG21 THR A 23 -4.056 -0.641 -4.705 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.366 -0.164 -4.416 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.540 1.035 -5.008 1.00 0.00 H new ATOM 344 N PHE A 24 -2.802 2.648 -7.327 1.00 0.00 N ATOM 345 CA PHE A 24 -3.110 4.040 -7.021 1.00 0.00 C ATOM 346 C PHE A 24 -4.538 4.180 -6.501 1.00 0.00 C ATOM 347 O PHE A 24 -5.500 3.885 -7.211 1.00 0.00 O ATOM 348 CB PHE A 24 -2.920 4.912 -8.264 1.00 0.00 C ATOM 349 CG PHE A 24 -2.924 6.385 -7.969 1.00 0.00 C ATOM 350 CD1 PHE A 24 -1.893 6.963 -7.248 1.00 0.00 C ATOM 351 CD2 PHE A 24 -3.960 7.191 -8.415 1.00 0.00 C ATOM 352 CE1 PHE A 24 -1.893 8.318 -6.976 1.00 0.00 C ATOM 353 CE2 PHE A 24 -3.965 8.546 -8.146 1.00 0.00 C ATOM 354 CZ PHE A 24 -2.931 9.111 -7.424 1.00 0.00 C ATOM 0 H PHE A 24 -3.280 2.281 -8.150 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.424 4.375 -6.243 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.977 4.648 -8.743 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.713 4.690 -8.978 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.079 6.348 -6.894 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.772 6.755 -8.979 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.082 8.756 -6.414 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.777 9.164 -8.500 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.935 10.170 -7.211 1.00 0.00 H new ATOM 364 N PHE A 25 -4.668 4.631 -5.259 1.00 0.00 N ATOM 365 CA PHE A 25 -5.978 4.810 -4.642 1.00 0.00 C ATOM 366 C PHE A 25 -6.417 6.269 -4.709 1.00 0.00 C ATOM 367 O PHE A 25 -6.126 7.058 -3.810 1.00 0.00 O ATOM 368 CB PHE A 25 -5.947 4.340 -3.186 1.00 0.00 C ATOM 369 CG PHE A 25 -5.022 3.180 -2.949 1.00 0.00 C ATOM 370 CD1 PHE A 25 -3.691 3.394 -2.629 1.00 0.00 C ATOM 371 CD2 PHE A 25 -5.484 1.877 -3.047 1.00 0.00 C ATOM 372 CE1 PHE A 25 -2.838 2.329 -2.410 1.00 0.00 C ATOM 373 CE2 PHE A 25 -4.635 0.809 -2.828 1.00 0.00 C ATOM 374 CZ PHE A 25 -3.310 1.035 -2.510 1.00 0.00 C ATOM 0 H PHE A 25 -3.882 4.880 -4.658 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.698 4.208 -5.196 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.643 5.172 -2.551 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.955 4.058 -2.882 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.316 4.404 -2.550 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.519 1.694 -3.297 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.803 2.509 -2.161 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -5.007 -0.202 -2.905 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.645 0.202 -2.340 1.00 0.00 H new ATOM 384 N GLY A 26 -7.118 6.622 -5.782 1.00 0.00 N ATOM 385 CA GLY A 26 -7.585 7.985 -5.948 1.00 0.00 C ATOM 386 C GLY A 26 -8.375 8.477 -4.751 1.00 0.00 C ATOM 387 O GLY A 26 -8.516 9.682 -4.545 1.00 0.00 O ATOM 0 H GLY A 26 -7.371 5.987 -6.540 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.730 8.642 -6.110 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.208 8.046 -6.841 1.00 0.00 H new ATOM 391 N GLN A 27 -8.891 7.543 -3.959 1.00 0.00 N ATOM 392 CA GLN A 27 -9.672 7.888 -2.779 1.00 0.00 C ATOM 393 C GLN A 27 -8.872 7.640 -1.504 1.00 0.00 C ATOM 394 O GLN A 27 -7.973 6.800 -1.460 1.00 0.00 O ATOM 395 CB GLN A 27 -10.970 7.079 -2.745 1.00 0.00 C ATOM 396 CG GLN A 27 -11.892 7.358 -3.922 1.00 0.00 C ATOM 397 CD GLN A 27 -11.898 8.820 -4.325 1.00 0.00 C ATOM 398 OE1 GLN A 27 -10.884 9.357 -4.772 1.00 0.00 O ATOM 399 NE2 GLN A 27 -13.042 9.474 -4.168 1.00 0.00 N ATOM 0 H GLN A 27 -8.782 6.541 -4.114 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.915 8.949 -2.834 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.726 6.017 -2.729 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -11.501 7.298 -1.818 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.582 6.752 -4.773 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -12.906 7.052 -3.665 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.859 8.991 -3.794 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.105 10.460 -4.421 1.00 0.00 H new ATOM 408 N PRO A 28 -9.204 8.388 -0.441 1.00 0.00 N ATOM 409 CA PRO A 28 -8.528 8.267 0.854 1.00 0.00 C ATOM 410 C PRO A 28 -8.849 6.951 1.555 1.00 0.00 C ATOM 411 O PRO A 28 -9.825 6.855 2.300 1.00 0.00 O ATOM 412 CB PRO A 28 -9.080 9.448 1.654 1.00 0.00 C ATOM 413 CG PRO A 28 -10.407 9.735 1.039 1.00 0.00 C ATOM 414 CD PRO A 28 -10.266 9.408 -0.422 1.00 0.00 C ATOM 0 HA PRO A 28 -7.443 8.276 0.750 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.179 9.199 2.711 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -8.419 10.312 1.591 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.189 9.132 1.500 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.685 10.780 1.180 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.197 9.026 -0.840 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.990 10.286 -1.006 1.00 0.00 H new ATOM 422 N THR A 29 -8.024 5.938 1.312 1.00 0.00 N ATOM 423 CA THR A 29 -8.221 4.629 1.920 1.00 0.00 C ATOM 424 C THR A 29 -7.738 4.615 3.365 1.00 0.00 C ATOM 425 O THR A 29 -7.069 5.545 3.816 1.00 0.00 O ATOM 426 CB THR A 29 -7.484 3.528 1.133 1.00 0.00 C ATOM 427 OG1 THR A 29 -7.723 3.684 -0.269 1.00 0.00 O ATOM 428 CG2 THR A 29 -7.938 2.147 1.581 1.00 0.00 C ATOM 0 H THR A 29 -7.212 5.999 0.698 1.00 0.00 H new ATOM 0 HA THR A 29 -9.292 4.428 1.897 1.00 0.00 H new ATOM 0 HB THR A 29 -6.416 3.623 1.331 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.250 2.981 -0.762 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.404 1.386 1.012 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.726 2.021 2.643 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.009 2.043 1.410 1.00 0.00 H new ATOM 436 N PHE A 30 -8.079 3.554 4.089 1.00 0.00 N ATOM 437 CA PHE A 30 -7.681 3.419 5.484 1.00 0.00 C ATOM 438 C PHE A 30 -6.509 2.452 5.625 1.00 0.00 C ATOM 439 O PHE A 30 -6.672 1.237 5.496 1.00 0.00 O ATOM 440 CB PHE A 30 -8.860 2.934 6.330 1.00 0.00 C ATOM 441 CG PHE A 30 -8.499 2.662 7.762 1.00 0.00 C ATOM 442 CD1 PHE A 30 -8.506 3.684 8.698 1.00 0.00 C ATOM 443 CD2 PHE A 30 -8.155 1.385 8.173 1.00 0.00 C ATOM 444 CE1 PHE A 30 -8.175 3.435 10.017 1.00 0.00 C ATOM 445 CE2 PHE A 30 -7.821 1.131 9.490 1.00 0.00 C ATOM 446 CZ PHE A 30 -7.833 2.158 10.414 1.00 0.00 C ATOM 0 H PHE A 30 -8.631 2.774 3.731 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.366 4.400 5.841 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -9.651 3.683 6.299 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -9.265 2.024 5.887 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.773 4.685 8.394 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.148 0.578 7.456 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -8.184 4.240 10.737 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -7.551 0.131 9.796 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.575 1.962 11.444 1.00 0.00 H new ATOM 456 N CYS A 31 -5.327 2.998 5.888 1.00 0.00 N ATOM 457 CA CYS A 31 -4.126 2.185 6.044 1.00 0.00 C ATOM 458 C CYS A 31 -4.300 1.170 7.169 1.00 0.00 C ATOM 459 O CYS A 31 -5.194 1.299 8.005 1.00 0.00 O ATOM 460 CB CYS A 31 -2.916 3.077 6.329 1.00 0.00 C ATOM 461 SG CYS A 31 -1.329 2.183 6.375 1.00 0.00 S ATOM 0 H CYS A 31 -5.174 4.001 5.998 1.00 0.00 H new ATOM 0 HA CYS A 31 -3.959 1.644 5.113 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.862 3.853 5.565 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.066 3.580 7.284 1.00 0.00 H new ATOM 466 N SER A 32 -3.437 0.159 7.184 1.00 0.00 N ATOM 467 CA SER A 32 -3.496 -0.882 8.205 1.00 0.00 C ATOM 468 C SER A 32 -2.396 -0.687 9.244 1.00 0.00 C ATOM 469 O SER A 32 -2.572 -1.010 10.418 1.00 0.00 O ATOM 470 CB SER A 32 -3.367 -2.264 7.561 1.00 0.00 C ATOM 471 OG SER A 32 -3.784 -3.283 8.453 1.00 0.00 O ATOM 0 H SER A 32 -2.689 0.038 6.501 1.00 0.00 H new ATOM 0 HA SER A 32 -4.461 -0.811 8.707 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.968 -2.303 6.653 1.00 0.00 H new ATOM 0 HB3 SER A 32 -2.332 -2.436 7.266 1.00 0.00 H new ATOM 0 HG SER A 32 -3.693 -4.156 8.017 1.00 0.00 H new ATOM 477 N VAL A 33 -1.261 -0.156 8.802 1.00 0.00 N ATOM 478 CA VAL A 33 -0.131 0.084 9.693 1.00 0.00 C ATOM 479 C VAL A 33 -0.353 1.332 10.538 1.00 0.00 C ATOM 480 O VAL A 33 -0.551 1.249 11.751 1.00 0.00 O ATOM 481 CB VAL A 33 1.183 0.237 8.905 1.00 0.00 C ATOM 482 CG1 VAL A 33 2.304 0.701 9.821 1.00 0.00 C ATOM 483 CG2 VAL A 33 1.549 -1.071 8.219 1.00 0.00 C ATOM 0 H VAL A 33 -1.099 0.116 7.833 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.054 -0.785 10.347 1.00 0.00 H new ATOM 0 HB VAL A 33 1.039 0.995 8.135 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.225 0.803 9.246 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.041 1.664 10.259 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.452 -0.031 10.615 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.480 -0.944 7.667 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.675 -1.852 8.969 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.754 -1.355 7.529 1.00 0.00 H new ATOM 493 N CYS A 34 -0.320 2.492 9.890 1.00 0.00 N ATOM 494 CA CYS A 34 -0.518 3.761 10.581 1.00 0.00 C ATOM 495 C CYS A 34 -2.004 4.080 10.718 1.00 0.00 C ATOM 496 O CYS A 34 -2.421 4.761 11.655 1.00 0.00 O ATOM 497 CB CYS A 34 0.191 4.890 9.830 1.00 0.00 C ATOM 498 SG CYS A 34 -0.588 5.330 8.243 1.00 0.00 S ATOM 0 H CYS A 34 -0.158 2.579 8.887 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.090 3.673 11.580 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.219 5.774 10.467 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.225 4.597 9.646 1.00 0.00 H new ATOM 503 N LYS A 35 -2.800 3.582 9.777 1.00 0.00 N ATOM 504 CA LYS A 35 -4.239 3.812 9.791 1.00 0.00 C ATOM 505 C LYS A 35 -4.557 5.287 9.569 1.00 0.00 C ATOM 506 O LYS A 35 -5.260 5.907 10.368 1.00 0.00 O ATOM 507 CB LYS A 35 -4.837 3.345 11.120 1.00 0.00 C ATOM 508 CG LYS A 35 -4.557 1.885 11.434 1.00 0.00 C ATOM 509 CD LYS A 35 -4.568 1.625 12.931 1.00 0.00 C ATOM 510 CE LYS A 35 -4.790 0.152 13.239 1.00 0.00 C ATOM 511 NZ LYS A 35 -4.327 -0.204 14.609 1.00 0.00 N ATOM 0 H LYS A 35 -2.472 3.016 8.995 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.682 3.237 8.978 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.440 3.964 11.925 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.915 3.503 11.099 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.305 1.258 10.949 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.588 1.602 11.022 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.622 1.950 13.365 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.354 2.218 13.399 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.850 -0.084 13.141 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.259 -0.456 12.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.496 -1.216 14.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.310 -0.003 14.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.851 0.358 15.310 1.00 0.00 H new ATOM 525 N ASP A 36 -4.038 5.841 8.480 1.00 0.00 N ATOM 526 CA ASP A 36 -4.269 7.244 8.151 1.00 0.00 C ATOM 527 C ASP A 36 -5.194 7.373 6.945 1.00 0.00 C ATOM 528 O ASP A 36 -5.724 6.380 6.446 1.00 0.00 O ATOM 529 CB ASP A 36 -2.942 7.949 7.870 1.00 0.00 C ATOM 530 CG ASP A 36 -2.251 8.410 9.138 1.00 0.00 C ATOM 531 OD1 ASP A 36 -2.272 7.655 10.133 1.00 0.00 O ATOM 532 OD2 ASP A 36 -1.691 9.526 9.138 1.00 0.00 O ATOM 0 H ASP A 36 -3.454 5.341 7.809 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.749 7.719 9.007 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.283 7.273 7.326 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.120 8.809 7.224 1.00 0.00 H new ATOM 537 N PHE A 37 -5.384 8.605 6.482 1.00 0.00 N ATOM 538 CA PHE A 37 -6.248 8.866 5.335 1.00 0.00 C ATOM 539 C PHE A 37 -5.602 8.369 4.045 1.00 0.00 C ATOM 540 O PHE A 37 -6.283 7.868 3.150 1.00 0.00 O ATOM 541 CB PHE A 37 -6.547 10.361 5.226 1.00 0.00 C ATOM 542 CG PHE A 37 -7.114 10.953 6.485 1.00 0.00 C ATOM 543 CD1 PHE A 37 -8.463 10.833 6.777 1.00 0.00 C ATOM 544 CD2 PHE A 37 -6.297 11.631 7.375 1.00 0.00 C ATOM 545 CE1 PHE A 37 -8.987 11.375 7.935 1.00 0.00 C ATOM 546 CE2 PHE A 37 -6.815 12.176 8.536 1.00 0.00 C ATOM 547 CZ PHE A 37 -8.162 12.048 8.815 1.00 0.00 C ATOM 0 H PHE A 37 -4.952 9.437 6.883 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.183 8.326 5.484 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.629 10.889 4.967 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.250 10.524 4.409 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -9.113 10.310 6.091 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.244 11.735 7.160 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -10.040 11.273 8.152 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.168 12.701 9.223 1.00 0.00 H new ATOM 0 HZ PHE A 37 -8.569 12.474 9.720 1.00 0.00 H new ATOM 557 N VAL A 38 -4.283 8.512 3.956 1.00 0.00 N ATOM 558 CA VAL A 38 -3.544 8.078 2.777 1.00 0.00 C ATOM 559 C VAL A 38 -3.908 8.921 1.560 1.00 0.00 C ATOM 560 O VAL A 38 -4.028 8.406 0.449 1.00 0.00 O ATOM 561 CB VAL A 38 -3.814 6.595 2.460 1.00 0.00 C ATOM 562 CG1 VAL A 38 -2.832 6.085 1.417 1.00 0.00 C ATOM 563 CG2 VAL A 38 -3.743 5.758 3.727 1.00 0.00 C ATOM 0 H VAL A 38 -3.704 8.925 4.687 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.485 8.207 3.001 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.820 6.506 2.050 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.038 5.036 1.206 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.938 6.667 0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.815 6.186 1.795 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.936 4.713 3.484 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.751 5.850 4.169 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.491 6.110 4.438 1.00 0.00 H new ATOM 573 N TRP A 39 -4.081 10.221 1.777 1.00 0.00 N ATOM 574 CA TRP A 39 -4.430 11.136 0.697 1.00 0.00 C ATOM 575 C TRP A 39 -3.584 12.403 0.763 1.00 0.00 C ATOM 576 O TRP A 39 -4.080 13.504 0.529 1.00 0.00 O ATOM 577 CB TRP A 39 -5.916 11.495 0.767 1.00 0.00 C ATOM 578 CG TRP A 39 -6.217 12.589 1.746 1.00 0.00 C ATOM 579 CD1 TRP A 39 -5.587 12.821 2.936 1.00 0.00 C ATOM 580 CD2 TRP A 39 -7.225 13.598 1.620 1.00 0.00 C ATOM 581 NE1 TRP A 39 -6.143 13.914 3.557 1.00 0.00 N ATOM 582 CE2 TRP A 39 -7.149 14.409 2.770 1.00 0.00 C ATOM 583 CE3 TRP A 39 -8.183 13.897 0.648 1.00 0.00 C ATOM 584 CZ2 TRP A 39 -7.996 15.496 2.971 1.00 0.00 C ATOM 585 CZ3 TRP A 39 -9.023 14.976 0.850 1.00 0.00 C ATOM 586 CH2 TRP A 39 -8.925 15.765 2.004 1.00 0.00 C ATOM 0 H TRP A 39 -3.985 10.664 2.691 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.228 10.636 -0.250 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -6.256 11.799 -0.223 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -6.485 10.606 1.040 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.772 12.232 3.331 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -5.853 14.295 4.458 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -8.266 13.296 -0.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -7.922 16.105 3.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -9.768 15.215 0.105 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -9.596 16.602 2.132 1.00 0.00 H new ATOM 597 N GLY A 40 -2.304 12.239 1.084 1.00 0.00 N ATOM 598 CA GLY A 40 -1.410 13.379 1.173 1.00 0.00 C ATOM 599 C GLY A 40 -0.673 13.642 -0.125 1.00 0.00 C ATOM 600 O GLY A 40 -1.168 13.318 -1.205 1.00 0.00 O ATOM 0 H GLY A 40 -1.870 11.338 1.284 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.983 14.265 1.448 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.686 13.208 1.970 1.00 0.00 H new ATOM 604 N LEU A 41 0.512 14.232 -0.021 1.00 0.00 N ATOM 605 CA LEU A 41 1.319 14.541 -1.197 1.00 0.00 C ATOM 606 C LEU A 41 1.294 13.385 -2.192 1.00 0.00 C ATOM 607 O LEU A 41 1.363 12.219 -1.807 1.00 0.00 O ATOM 608 CB LEU A 41 2.761 14.843 -0.785 1.00 0.00 C ATOM 609 CG LEU A 41 3.089 16.313 -0.521 1.00 0.00 C ATOM 610 CD1 LEU A 41 3.036 17.113 -1.813 1.00 0.00 C ATOM 611 CD2 LEU A 41 2.132 16.895 0.509 1.00 0.00 C ATOM 0 H LEU A 41 0.936 14.506 0.865 1.00 0.00 H new ATOM 0 HA LEU A 41 0.894 15.421 -1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.987 14.273 0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.426 14.478 -1.568 1.00 0.00 H new ATOM 0 HG LEU A 41 4.102 16.374 -0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.272 18.157 -1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.762 16.711 -2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.036 17.046 -2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.380 17.942 0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.110 16.821 0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.220 16.339 1.443 1.00 0.00 H new ATOM 623 N ASN A 42 1.197 13.719 -3.475 1.00 0.00 N ATOM 624 CA ASN A 42 1.165 12.709 -4.527 1.00 0.00 C ATOM 625 C ASN A 42 2.162 11.592 -4.239 1.00 0.00 C ATOM 626 O ASN A 42 3.338 11.686 -4.592 1.00 0.00 O ATOM 627 CB ASN A 42 1.474 13.346 -5.884 1.00 0.00 C ATOM 628 CG ASN A 42 0.373 14.280 -6.348 1.00 0.00 C ATOM 629 OD1 ASN A 42 -0.644 14.442 -5.673 1.00 0.00 O ATOM 630 ND2 ASN A 42 0.571 14.898 -7.506 1.00 0.00 N ATOM 0 H ASN A 42 1.139 14.680 -3.811 1.00 0.00 H new ATOM 0 HA ASN A 42 0.163 12.280 -4.554 1.00 0.00 H new ATOM 0 HB2 ASN A 42 2.411 13.898 -5.818 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.618 12.561 -6.627 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.135 15.538 -7.870 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.429 14.733 -8.032 1.00 0.00 H new ATOM 637 N LYS A 43 1.685 10.532 -3.595 1.00 0.00 N ATOM 638 CA LYS A 43 2.533 9.393 -3.260 1.00 0.00 C ATOM 639 C LYS A 43 1.748 8.089 -3.339 1.00 0.00 C ATOM 640 O LYS A 43 0.938 7.787 -2.464 1.00 0.00 O ATOM 641 CB LYS A 43 3.119 9.563 -1.856 1.00 0.00 C ATOM 642 CG LYS A 43 4.311 10.503 -1.805 1.00 0.00 C ATOM 643 CD LYS A 43 5.553 9.861 -2.399 1.00 0.00 C ATOM 644 CE LYS A 43 6.720 10.836 -2.436 1.00 0.00 C ATOM 645 NZ LYS A 43 6.492 11.938 -3.412 1.00 0.00 N ATOM 0 H LYS A 43 0.715 10.438 -3.294 1.00 0.00 H new ATOM 0 HA LYS A 43 3.346 9.352 -3.985 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.342 9.938 -1.190 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.420 8.587 -1.476 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.078 11.418 -2.349 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.507 10.788 -0.771 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.828 8.985 -1.811 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.336 9.512 -3.409 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.873 11.257 -1.442 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.632 10.301 -2.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.242 11.924 -4.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.568 11.809 -3.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.507 12.851 -2.914 1.00 0.00 H new ATOM 659 N GLN A 44 1.995 7.318 -4.394 1.00 0.00 N ATOM 660 CA GLN A 44 1.312 6.044 -4.586 1.00 0.00 C ATOM 661 C GLN A 44 1.500 5.137 -3.375 1.00 0.00 C ATOM 662 O GLN A 44 2.484 5.254 -2.646 1.00 0.00 O ATOM 663 CB GLN A 44 1.830 5.348 -5.845 1.00 0.00 C ATOM 664 CG GLN A 44 1.262 3.953 -6.047 1.00 0.00 C ATOM 665 CD GLN A 44 2.108 2.878 -5.395 1.00 0.00 C ATOM 666 OE1 GLN A 44 2.758 3.115 -4.377 1.00 0.00 O ATOM 667 NE2 GLN A 44 2.105 1.686 -5.980 1.00 0.00 N ATOM 0 H GLN A 44 2.663 7.554 -5.128 1.00 0.00 H new ATOM 0 HA GLN A 44 0.247 6.246 -4.703 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.587 5.959 -6.714 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.917 5.285 -5.794 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.252 3.913 -5.638 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.182 3.749 -7.115 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.552 1.533 -6.823 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.656 0.923 -5.586 1.00 0.00 H new ATOM 676 N GLY A 45 0.549 4.232 -3.166 1.00 0.00 N ATOM 677 CA GLY A 45 0.629 3.318 -2.041 1.00 0.00 C ATOM 678 C GLY A 45 0.651 1.866 -2.475 1.00 0.00 C ATOM 679 O GLY A 45 0.768 1.567 -3.664 1.00 0.00 O ATOM 0 H GLY A 45 -0.275 4.115 -3.755 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.528 3.535 -1.463 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.222 3.484 -1.381 1.00 0.00 H new ATOM 683 N TYR A 46 0.542 0.960 -1.510 1.00 0.00 N ATOM 684 CA TYR A 46 0.555 -0.469 -1.797 1.00 0.00 C ATOM 685 C TYR A 46 -0.713 -1.142 -1.280 1.00 0.00 C ATOM 686 O TYR A 46 -1.274 -0.736 -0.262 1.00 0.00 O ATOM 687 CB TYR A 46 1.786 -1.127 -1.171 1.00 0.00 C ATOM 688 CG TYR A 46 3.094 -0.648 -1.759 1.00 0.00 C ATOM 689 CD1 TYR A 46 3.312 -0.674 -3.130 1.00 0.00 C ATOM 690 CD2 TYR A 46 4.111 -0.168 -0.943 1.00 0.00 C ATOM 691 CE1 TYR A 46 4.506 -0.238 -3.672 1.00 0.00 C ATOM 692 CE2 TYR A 46 5.307 0.272 -1.476 1.00 0.00 C ATOM 693 CZ TYR A 46 5.500 0.234 -2.841 1.00 0.00 C ATOM 694 OH TYR A 46 6.690 0.671 -3.377 1.00 0.00 O ATOM 0 H TYR A 46 0.444 1.190 -0.521 1.00 0.00 H new ATOM 0 HA TYR A 46 0.595 -0.594 -2.879 1.00 0.00 H new ATOM 0 HB2 TYR A 46 1.786 -0.931 -0.099 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.714 -2.207 -1.298 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.535 -1.041 -3.784 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.964 -0.138 0.127 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.660 -0.267 -4.741 1.00 0.00 H new ATOM 0 HE2 TYR A 46 6.087 0.644 -0.827 1.00 0.00 H new ATOM 0 HH TYR A 46 6.532 1.031 -4.275 1.00 0.00 H new ATOM 704 N LYS A 47 -1.160 -2.173 -1.989 1.00 0.00 N ATOM 705 CA LYS A 47 -2.360 -2.904 -1.602 1.00 0.00 C ATOM 706 C LYS A 47 -2.239 -4.381 -1.966 1.00 0.00 C ATOM 707 O LYS A 47 -1.874 -4.725 -3.090 1.00 0.00 O ATOM 708 CB LYS A 47 -3.592 -2.300 -2.281 1.00 0.00 C ATOM 709 CG LYS A 47 -4.822 -3.190 -2.214 1.00 0.00 C ATOM 710 CD LYS A 47 -6.097 -2.395 -2.439 1.00 0.00 C ATOM 711 CE LYS A 47 -7.317 -3.303 -2.484 1.00 0.00 C ATOM 712 NZ LYS A 47 -8.583 -2.524 -2.580 1.00 0.00 N ATOM 0 H LYS A 47 -0.709 -2.521 -2.835 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.472 -2.822 -0.521 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.821 -1.342 -1.814 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.357 -2.097 -3.326 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.745 -3.976 -2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.865 -3.681 -1.242 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.216 -1.662 -1.641 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.021 -1.839 -3.373 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.238 -3.975 -3.338 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.340 -3.925 -1.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.391 -3.178 -2.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.671 -1.901 -1.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.572 -1.949 -3.447 1.00 0.00 H new ATOM 726 N CYS A 48 -2.549 -5.249 -1.009 1.00 0.00 N ATOM 727 CA CYS A 48 -2.475 -6.688 -1.229 1.00 0.00 C ATOM 728 C CYS A 48 -3.710 -7.188 -1.975 1.00 0.00 C ATOM 729 O CYS A 48 -4.834 -7.054 -1.494 1.00 0.00 O ATOM 730 CB CYS A 48 -2.342 -7.423 0.106 1.00 0.00 C ATOM 731 SG CYS A 48 -1.715 -9.127 -0.043 1.00 0.00 S ATOM 0 H CYS A 48 -2.854 -4.981 -0.073 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.595 -6.892 -1.839 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.674 -6.857 0.755 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.316 -7.447 0.594 1.00 0.00 H new ATOM 736 N ARG A 49 -3.489 -7.765 -3.152 1.00 0.00 N ATOM 737 CA ARG A 49 -4.582 -8.284 -3.966 1.00 0.00 C ATOM 738 C ARG A 49 -5.102 -9.602 -3.399 1.00 0.00 C ATOM 739 O ARG A 49 -5.900 -10.288 -4.037 1.00 0.00 O ATOM 740 CB ARG A 49 -4.121 -8.483 -5.411 1.00 0.00 C ATOM 741 CG ARG A 49 -2.770 -9.171 -5.529 1.00 0.00 C ATOM 742 CD ARG A 49 -2.625 -9.887 -6.862 1.00 0.00 C ATOM 743 NE ARG A 49 -3.527 -11.031 -6.969 1.00 0.00 N ATOM 744 CZ ARG A 49 -3.210 -12.257 -6.567 1.00 0.00 C ATOM 745 NH1 ARG A 49 -2.020 -12.497 -6.034 1.00 0.00 N ATOM 746 NH2 ARG A 49 -4.085 -13.247 -6.697 1.00 0.00 N ATOM 0 H ARG A 49 -2.563 -7.885 -3.563 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.393 -7.556 -3.949 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.867 -9.072 -5.944 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.070 -7.512 -5.904 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.974 -8.434 -5.422 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.653 -9.887 -4.715 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.828 -9.188 -7.673 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.596 -10.224 -6.982 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.451 -10.880 -7.375 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.345 -11.739 -5.932 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.780 -13.439 -5.726 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.002 -13.067 -7.106 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.840 -14.188 -6.388 1.00 0.00 H new ATOM 760 N GLN A 50 -4.643 -9.947 -2.201 1.00 0.00 N ATOM 761 CA GLN A 50 -5.061 -11.184 -1.551 1.00 0.00 C ATOM 762 C GLN A 50 -5.944 -10.891 -0.342 1.00 0.00 C ATOM 763 O GLN A 50 -7.129 -11.225 -0.331 1.00 0.00 O ATOM 764 CB GLN A 50 -3.839 -11.997 -1.121 1.00 0.00 C ATOM 765 CG GLN A 50 -2.857 -12.262 -2.250 1.00 0.00 C ATOM 766 CD GLN A 50 -2.065 -13.539 -2.046 1.00 0.00 C ATOM 767 OE1 GLN A 50 -1.955 -14.366 -2.952 1.00 0.00 O ATOM 768 NE2 GLN A 50 -1.506 -13.706 -0.853 1.00 0.00 N ATOM 0 H GLN A 50 -3.982 -9.388 -1.661 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.640 -11.765 -2.269 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.324 -11.467 -0.320 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.173 -12.950 -0.710 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.401 -12.323 -3.193 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -2.168 -11.421 -2.333 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.623 -12.995 -0.131 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.960 -14.545 -0.659 1.00 0.00 H new ATOM 777 N CYS A 51 -5.359 -10.266 0.674 1.00 0.00 N ATOM 778 CA CYS A 51 -6.091 -9.930 1.889 1.00 0.00 C ATOM 779 C CYS A 51 -6.712 -8.540 1.782 1.00 0.00 C ATOM 780 O CYS A 51 -7.588 -8.179 2.566 1.00 0.00 O ATOM 781 CB CYS A 51 -5.162 -9.994 3.103 1.00 0.00 C ATOM 782 SG CYS A 51 -3.658 -8.980 2.943 1.00 0.00 S ATOM 0 H CYS A 51 -4.379 -9.982 0.680 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.892 -10.658 2.015 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.713 -9.670 3.986 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.872 -11.031 3.271 1.00 0.00 H new ATOM 787 N ASN A 52 -6.249 -7.765 0.805 1.00 0.00 N ATOM 788 CA ASN A 52 -6.759 -6.414 0.596 1.00 0.00 C ATOM 789 C ASN A 52 -6.277 -5.474 1.697 1.00 0.00 C ATOM 790 O ASN A 52 -7.074 -4.777 2.324 1.00 0.00 O ATOM 791 CB ASN A 52 -8.288 -6.425 0.551 1.00 0.00 C ATOM 792 CG ASN A 52 -8.839 -7.693 -0.072 1.00 0.00 C ATOM 793 OD1 ASN A 52 -8.175 -8.340 -0.881 1.00 0.00 O ATOM 794 ND2 ASN A 52 -10.061 -8.053 0.305 1.00 0.00 N ATOM 0 H ASN A 52 -5.523 -8.049 0.147 1.00 0.00 H new ATOM 0 HA ASN A 52 -6.377 -6.052 -0.359 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -8.679 -6.321 1.563 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -8.638 -5.563 -0.016 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -10.485 -8.897 -0.080 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -10.575 -7.485 0.979 1.00 0.00 H new ATOM 801 N ALA A 53 -4.967 -5.462 1.927 1.00 0.00 N ATOM 802 CA ALA A 53 -4.380 -4.606 2.950 1.00 0.00 C ATOM 803 C ALA A 53 -3.632 -3.434 2.322 1.00 0.00 C ATOM 804 O ALA A 53 -2.484 -3.572 1.902 1.00 0.00 O ATOM 805 CB ALA A 53 -3.447 -5.414 3.840 1.00 0.00 C ATOM 0 H ALA A 53 -4.294 -6.035 1.419 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.188 -4.202 3.560 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.015 -4.763 4.600 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.008 -6.214 4.323 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.649 -5.845 3.235 1.00 0.00 H new ATOM 811 N ALA A 54 -4.292 -2.283 2.260 1.00 0.00 N ATOM 812 CA ALA A 54 -3.689 -1.087 1.684 1.00 0.00 C ATOM 813 C ALA A 54 -2.844 -0.346 2.717 1.00 0.00 C ATOM 814 O ALA A 54 -3.326 -0.008 3.799 1.00 0.00 O ATOM 815 CB ALA A 54 -4.766 -0.170 1.126 1.00 0.00 C ATOM 0 H ALA A 54 -5.244 -2.153 2.601 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.033 -1.397 0.870 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.302 0.719 0.699 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.325 -0.695 0.351 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.444 0.124 1.927 1.00 0.00 H new ATOM 821 N ILE A 55 -1.585 -0.099 2.376 1.00 0.00 N ATOM 822 CA ILE A 55 -0.674 0.601 3.273 1.00 0.00 C ATOM 823 C ILE A 55 0.179 1.612 2.513 1.00 0.00 C ATOM 824 O ILE A 55 0.097 1.713 1.289 1.00 0.00 O ATOM 825 CB ILE A 55 0.251 -0.380 4.016 1.00 0.00 C ATOM 826 CG1 ILE A 55 1.307 -0.941 3.061 1.00 0.00 C ATOM 827 CG2 ILE A 55 -0.561 -1.507 4.637 1.00 0.00 C ATOM 828 CD1 ILE A 55 2.443 -1.650 3.764 1.00 0.00 C ATOM 0 H ILE A 55 -1.172 -0.373 1.485 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.292 1.126 4.002 1.00 0.00 H new ATOM 0 HB ILE A 55 0.760 0.158 4.816 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.828 -1.635 2.371 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.713 -0.126 2.463 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.107 -2.192 5.159 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.279 -1.091 5.344 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.094 -2.046 3.854 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.153 -2.021 3.025 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.947 -0.954 4.434 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.048 -2.487 4.340 1.00 0.00 H new ATOM 840 N HIS A 56 1.001 2.355 3.247 1.00 0.00 N ATOM 841 CA HIS A 56 1.873 3.355 2.642 1.00 0.00 C ATOM 842 C HIS A 56 3.163 2.718 2.137 1.00 0.00 C ATOM 843 O HIS A 56 3.576 1.662 2.618 1.00 0.00 O ATOM 844 CB HIS A 56 2.195 4.459 3.649 1.00 0.00 C ATOM 845 CG HIS A 56 1.000 5.263 4.061 1.00 0.00 C ATOM 846 ND1 HIS A 56 0.117 4.852 5.037 1.00 0.00 N ATOM 847 CD2 HIS A 56 0.546 6.460 3.624 1.00 0.00 C ATOM 848 CE1 HIS A 56 -0.831 5.761 5.181 1.00 0.00 C ATOM 849 NE2 HIS A 56 -0.593 6.748 4.336 1.00 0.00 N ATOM 0 H HIS A 56 1.081 2.283 4.261 1.00 0.00 H new ATOM 0 HA HIS A 56 1.348 3.791 1.792 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.644 4.011 4.535 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.940 5.127 3.217 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.995 7.075 2.858 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -1.659 5.706 5.872 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -1.162 7.588 4.229 1.00 0.00 H new ATOM 857 N LYS A 57 3.796 3.364 1.164 1.00 0.00 N ATOM 858 CA LYS A 57 5.041 2.862 0.594 1.00 0.00 C ATOM 859 C LYS A 57 6.108 2.704 1.672 1.00 0.00 C ATOM 860 O LYS A 57 7.034 1.904 1.531 1.00 0.00 O ATOM 861 CB LYS A 57 5.542 3.807 -0.500 1.00 0.00 C ATOM 862 CG LYS A 57 6.475 3.141 -1.498 1.00 0.00 C ATOM 863 CD LYS A 57 7.402 4.151 -2.154 1.00 0.00 C ATOM 864 CE LYS A 57 8.237 3.510 -3.252 1.00 0.00 C ATOM 865 NZ LYS A 57 9.331 2.667 -2.696 1.00 0.00 N ATOM 0 H LYS A 57 3.467 4.238 0.753 1.00 0.00 H new ATOM 0 HA LYS A 57 4.843 1.883 0.157 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.685 4.218 -1.034 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.060 4.646 -0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.066 2.378 -0.992 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.888 2.633 -2.264 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.814 4.968 -2.572 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.060 4.585 -1.401 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.595 2.899 -3.887 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.664 4.288 -3.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.877 2.248 -3.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.959 3.254 -2.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.923 1.909 -2.113 1.00 0.00 H new ATOM 879 N LYS A 58 5.974 3.469 2.749 1.00 0.00 N ATOM 880 CA LYS A 58 6.924 3.412 3.853 1.00 0.00 C ATOM 881 C LYS A 58 6.438 2.459 4.941 1.00 0.00 C ATOM 882 O LYS A 58 7.240 1.819 5.623 1.00 0.00 O ATOM 883 CB LYS A 58 7.138 4.808 4.442 1.00 0.00 C ATOM 884 CG LYS A 58 5.895 5.393 5.090 1.00 0.00 C ATOM 885 CD LYS A 58 6.114 6.833 5.520 1.00 0.00 C ATOM 886 CE LYS A 58 4.794 7.561 5.724 1.00 0.00 C ATOM 887 NZ LYS A 58 4.176 7.231 7.039 1.00 0.00 N ATOM 0 H LYS A 58 5.215 4.137 2.881 1.00 0.00 H new ATOM 0 HA LYS A 58 7.872 3.039 3.464 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.936 4.762 5.183 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.475 5.479 3.652 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.062 5.345 4.389 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.618 4.792 5.956 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.689 6.854 6.446 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.705 7.353 4.766 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.959 8.637 5.660 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.105 7.296 4.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.279 7.747 7.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.995 6.208 7.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.822 7.508 7.805 1.00 0.00 H new ATOM 901 N CYS A 59 5.122 2.369 5.097 1.00 0.00 N ATOM 902 CA CYS A 59 4.529 1.493 6.101 1.00 0.00 C ATOM 903 C CYS A 59 4.870 0.032 5.818 1.00 0.00 C ATOM 904 O CYS A 59 4.752 -0.824 6.694 1.00 0.00 O ATOM 905 CB CYS A 59 3.011 1.676 6.135 1.00 0.00 C ATOM 906 SG CYS A 59 2.455 3.083 7.149 1.00 0.00 S ATOM 0 H CYS A 59 4.445 2.892 4.541 1.00 0.00 H new ATOM 0 HA CYS A 59 4.943 1.763 7.073 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.649 1.811 5.116 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.554 0.763 6.517 1.00 0.00 H new ATOM 911 N ILE A 60 5.293 -0.243 4.588 1.00 0.00 N ATOM 912 CA ILE A 60 5.651 -1.599 4.191 1.00 0.00 C ATOM 913 C ILE A 60 6.741 -2.168 5.094 1.00 0.00 C ATOM 914 O ILE A 60 6.674 -3.323 5.512 1.00 0.00 O ATOM 915 CB ILE A 60 6.136 -1.648 2.730 1.00 0.00 C ATOM 916 CG1 ILE A 60 5.822 -3.011 2.110 1.00 0.00 C ATOM 917 CG2 ILE A 60 7.628 -1.357 2.656 1.00 0.00 C ATOM 918 CD1 ILE A 60 6.164 -3.100 0.639 1.00 0.00 C ATOM 0 H ILE A 60 5.396 0.454 3.851 1.00 0.00 H new ATOM 0 HA ILE A 60 4.749 -2.204 4.288 1.00 0.00 H new ATOM 0 HB ILE A 60 5.608 -0.882 2.162 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.372 -3.782 2.650 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.761 -3.225 2.242 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.955 -1.395 1.617 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.826 -0.365 3.062 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.173 -2.102 3.236 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.915 -4.094 0.267 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.594 -2.352 0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.230 -2.918 0.502 1.00 0.00 H new ATOM 930 N ASP A 61 7.741 -1.346 5.393 1.00 0.00 N ATOM 931 CA ASP A 61 8.845 -1.765 6.251 1.00 0.00 C ATOM 932 C ASP A 61 8.439 -1.720 7.720 1.00 0.00 C ATOM 933 O ASP A 61 9.239 -2.018 8.607 1.00 0.00 O ATOM 934 CB ASP A 61 10.066 -0.875 6.018 1.00 0.00 C ATOM 935 CG ASP A 61 10.325 -0.621 4.546 1.00 0.00 C ATOM 936 OD1 ASP A 61 10.597 -1.595 3.814 1.00 0.00 O ATOM 937 OD2 ASP A 61 10.257 0.553 4.126 1.00 0.00 O ATOM 0 H ASP A 61 7.811 -0.386 5.055 1.00 0.00 H new ATOM 0 HA ASP A 61 9.101 -2.793 5.996 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.920 0.077 6.528 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.944 -1.344 6.463 1.00 0.00 H new ATOM 942 N LYS A 62 7.189 -1.344 7.971 1.00 0.00 N ATOM 943 CA LYS A 62 6.675 -1.258 9.334 1.00 0.00 C ATOM 944 C LYS A 62 5.853 -2.495 9.683 1.00 0.00 C ATOM 945 O LYS A 62 5.935 -3.011 10.798 1.00 0.00 O ATOM 946 CB LYS A 62 5.819 -0.001 9.500 1.00 0.00 C ATOM 947 CG LYS A 62 6.581 1.291 9.253 1.00 0.00 C ATOM 948 CD LYS A 62 7.497 1.629 10.417 1.00 0.00 C ATOM 949 CE LYS A 62 8.175 2.975 10.219 1.00 0.00 C ATOM 950 NZ LYS A 62 9.313 2.887 9.261 1.00 0.00 N ATOM 0 H LYS A 62 6.513 -1.094 7.249 1.00 0.00 H new ATOM 0 HA LYS A 62 7.525 -1.203 10.014 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.975 -0.053 8.812 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.407 0.017 10.509 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.170 1.198 8.340 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.875 2.106 9.096 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.921 1.643 11.342 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.253 0.852 10.524 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.447 3.698 9.852 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.536 3.345 11.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.749 3.825 9.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.020 2.216 9.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.965 2.559 8.338 1.00 0.00 H new ATOM 964 N ILE A 63 5.064 -2.966 8.723 1.00 0.00 N ATOM 965 CA ILE A 63 4.229 -4.144 8.929 1.00 0.00 C ATOM 966 C ILE A 63 4.924 -5.156 9.836 1.00 0.00 C ATOM 967 O ILE A 63 6.151 -5.240 9.863 1.00 0.00 O ATOM 968 CB ILE A 63 3.876 -4.824 7.595 1.00 0.00 C ATOM 969 CG1 ILE A 63 3.004 -3.900 6.742 1.00 0.00 C ATOM 970 CG2 ILE A 63 3.168 -6.147 7.845 1.00 0.00 C ATOM 971 CD1 ILE A 63 2.860 -4.360 5.308 1.00 0.00 C ATOM 0 H ILE A 63 4.985 -2.550 7.795 1.00 0.00 H new ATOM 0 HA ILE A 63 3.310 -3.802 9.406 1.00 0.00 H new ATOM 0 HB ILE A 63 4.799 -5.026 7.052 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.014 -3.829 7.193 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.432 -2.898 6.752 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.925 -6.616 6.891 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.820 -6.806 8.417 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.250 -5.968 8.406 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.229 -3.658 4.762 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.843 -4.404 4.840 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.403 -5.350 5.287 1.00 0.00 H new ATOM 983 N ILE A 64 4.128 -5.923 10.573 1.00 0.00 N ATOM 984 CA ILE A 64 4.665 -6.932 11.478 1.00 0.00 C ATOM 985 C ILE A 64 3.955 -8.269 11.293 1.00 0.00 C ATOM 986 O ILE A 64 4.591 -9.322 11.261 1.00 0.00 O ATOM 987 CB ILE A 64 4.537 -6.495 12.948 1.00 0.00 C ATOM 988 CG1 ILE A 64 5.291 -5.183 13.181 1.00 0.00 C ATOM 989 CG2 ILE A 64 5.060 -7.584 13.873 1.00 0.00 C ATOM 990 CD1 ILE A 64 4.722 -4.352 14.309 1.00 0.00 C ATOM 0 H ILE A 64 3.110 -5.865 10.561 1.00 0.00 H new ATOM 0 HA ILE A 64 5.721 -7.046 11.233 1.00 0.00 H new ATOM 0 HB ILE A 64 3.483 -6.331 13.172 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.336 -5.407 13.397 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.274 -4.595 12.263 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.962 -7.259 14.909 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.483 -8.497 13.723 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.109 -7.777 13.651 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.305 -3.438 14.417 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.686 -4.097 14.086 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.764 -4.921 15.238 1.00 0.00 H new ATOM 1002 N GLY A 65 2.632 -8.219 11.169 1.00 0.00 N ATOM 1003 CA GLY A 65 1.858 -9.433 10.988 1.00 0.00 C ATOM 1004 C GLY A 65 2.145 -10.111 9.662 1.00 0.00 C ATOM 1005 O GLY A 65 2.952 -9.624 8.870 1.00 0.00 O ATOM 0 H GLY A 65 2.083 -7.360 11.191 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.077 -10.125 11.801 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.796 -9.196 11.049 1.00 0.00 H new ATOM 1009 N ARG A 66 1.485 -11.239 9.420 1.00 0.00 N ATOM 1010 CA ARG A 66 1.676 -11.986 8.183 1.00 0.00 C ATOM 1011 C ARG A 66 0.429 -11.913 7.306 1.00 0.00 C ATOM 1012 O ARG A 66 -0.604 -11.383 7.719 1.00 0.00 O ATOM 1013 CB ARG A 66 2.012 -13.445 8.491 1.00 0.00 C ATOM 1014 CG ARG A 66 3.355 -13.629 9.180 1.00 0.00 C ATOM 1015 CD ARG A 66 3.372 -14.881 10.042 1.00 0.00 C ATOM 1016 NE ARG A 66 4.655 -15.066 10.714 1.00 0.00 N ATOM 1017 CZ ARG A 66 4.812 -15.800 11.810 1.00 0.00 C ATOM 1018 NH1 ARG A 66 3.772 -16.417 12.354 1.00 0.00 N ATOM 1019 NH2 ARG A 66 6.012 -15.920 12.364 1.00 0.00 N ATOM 0 H ARG A 66 0.813 -11.656 10.065 1.00 0.00 H new ATOM 0 HA ARG A 66 2.507 -11.536 7.640 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.229 -13.864 9.123 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.009 -14.014 7.561 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.144 -13.691 8.431 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.570 -12.757 9.798 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.578 -14.819 10.787 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.159 -15.751 9.421 1.00 0.00 H new ATOM 0 HE ARG A 66 5.476 -14.606 10.320 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.848 -16.329 11.931 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.896 -16.980 13.196 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.815 -15.448 11.948 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.131 -16.484 13.206 1.00 0.00 H new ATOM 1033 N CYS A 67 0.531 -12.451 6.095 1.00 0.00 N ATOM 1034 CA CYS A 67 -0.586 -12.448 5.160 1.00 0.00 C ATOM 1035 C CYS A 67 -1.495 -13.651 5.394 1.00 0.00 C ATOM 1036 O CYS A 67 -1.023 -14.772 5.588 1.00 0.00 O ATOM 1037 CB CYS A 67 -0.073 -12.454 3.719 1.00 0.00 C ATOM 1038 SG CYS A 67 -1.367 -12.174 2.467 1.00 0.00 S ATOM 0 H CYS A 67 1.377 -12.895 5.739 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.165 -11.540 5.328 1.00 0.00 H new ATOM 0 HB2 CYS A 67 0.692 -11.684 3.614 1.00 0.00 H new ATOM 0 HB3 CYS A 67 0.409 -13.411 3.520 1.00 0.00 H new ATOM 1043 N THR A 68 -2.803 -13.411 5.373 1.00 0.00 N ATOM 1044 CA THR A 68 -3.777 -14.474 5.582 1.00 0.00 C ATOM 1045 C THR A 68 -4.107 -15.185 4.274 1.00 0.00 C ATOM 1046 O THR A 68 -4.151 -16.413 4.218 1.00 0.00 O ATOM 1047 CB THR A 68 -5.080 -13.928 6.199 1.00 0.00 C ATOM 1048 OG1 THR A 68 -5.989 -15.004 6.453 1.00 0.00 O ATOM 1049 CG2 THR A 68 -5.733 -12.913 5.273 1.00 0.00 C ATOM 0 H THR A 68 -3.211 -12.490 5.213 1.00 0.00 H new ATOM 0 HA THR A 68 -3.325 -15.185 6.274 1.00 0.00 H new ATOM 0 HB THR A 68 -4.833 -13.433 7.138 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.814 -14.650 6.846 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.651 -12.542 5.729 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.049 -12.081 5.105 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.968 -13.388 4.320 1.00 0.00 H new ATOM 1057 N GLY A 69 -4.337 -14.403 3.223 1.00 0.00 N ATOM 1058 CA GLY A 69 -4.659 -14.976 1.930 1.00 0.00 C ATOM 1059 C GLY A 69 -5.842 -14.294 1.272 1.00 0.00 C ATOM 1060 O GLY A 69 -5.766 -13.122 0.901 1.00 0.00 O ATOM 0 H GLY A 69 -4.306 -13.384 3.245 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.790 -14.901 1.276 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.876 -16.037 2.050 1.00 0.00 H new ATOM 1064 N THR A 70 -6.940 -15.029 1.122 1.00 0.00 N ATOM 1065 CA THR A 70 -8.143 -14.489 0.502 1.00 0.00 C ATOM 1066 C THR A 70 -9.218 -14.203 1.544 1.00 0.00 C ATOM 1067 O THR A 70 -9.106 -14.620 2.697 1.00 0.00 O ATOM 1068 CB THR A 70 -8.712 -15.455 -0.554 1.00 0.00 C ATOM 1069 OG1 THR A 70 -8.962 -16.734 0.037 1.00 0.00 O ATOM 1070 CG2 THR A 70 -7.749 -15.609 -1.722 1.00 0.00 C ATOM 0 H THR A 70 -7.020 -16.001 1.422 1.00 0.00 H new ATOM 0 HA THR A 70 -7.856 -13.557 0.015 1.00 0.00 H new ATOM 0 HB THR A 70 -9.648 -15.039 -0.928 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.325 -17.342 -0.640 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.173 -16.296 -2.455 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.584 -14.638 -2.188 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.799 -16.004 -1.361 1.00 0.00 H new ATOM 1078 N ALA A 71 -10.261 -13.488 1.132 1.00 0.00 N ATOM 1079 CA ALA A 71 -11.357 -13.149 2.030 1.00 0.00 C ATOM 1080 C ALA A 71 -12.669 -13.009 1.265 1.00 0.00 C ATOM 1081 O ALA A 71 -12.683 -12.583 0.111 1.00 0.00 O ATOM 1082 CB ALA A 71 -11.044 -11.865 2.784 1.00 0.00 C ATOM 0 H ALA A 71 -10.369 -13.133 0.182 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.470 -13.961 2.749 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.872 -11.624 3.451 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.134 -11.999 3.369 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -10.902 -11.051 2.073 1.00 0.00 H new ATOM 1088 N ALA A 72 -13.769 -13.370 1.916 1.00 0.00 N ATOM 1089 CA ALA A 72 -15.086 -13.284 1.298 1.00 0.00 C ATOM 1090 C ALA A 72 -16.191 -13.341 2.347 1.00 0.00 C ATOM 1091 O ALA A 72 -15.933 -13.612 3.519 1.00 0.00 O ATOM 1092 CB ALA A 72 -15.266 -14.399 0.278 1.00 0.00 C ATOM 0 H ALA A 72 -13.774 -13.725 2.872 1.00 0.00 H new ATOM 0 HA ALA A 72 -15.156 -12.324 0.786 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.254 -14.322 -0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -14.504 -14.310 -0.496 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -15.169 -15.365 0.774 1.00 0.00 H new ATOM 1098 N ASN A 73 -17.422 -13.083 1.919 1.00 0.00 N ATOM 1099 CA ASN A 73 -18.567 -13.103 2.824 1.00 0.00 C ATOM 1100 C ASN A 73 -19.378 -14.383 2.644 1.00 0.00 C ATOM 1101 O ASN A 73 -19.639 -15.104 3.607 1.00 0.00 O ATOM 1102 CB ASN A 73 -19.457 -11.883 2.581 1.00 0.00 C ATOM 1103 CG ASN A 73 -20.697 -11.890 3.453 1.00 0.00 C ATOM 1104 OD1 ASN A 73 -20.606 -11.943 4.680 1.00 0.00 O ATOM 1105 ND2 ASN A 73 -21.865 -11.835 2.823 1.00 0.00 N ATOM 0 H ASN A 73 -17.653 -12.858 0.951 1.00 0.00 H new ATOM 0 HA ASN A 73 -18.192 -13.072 3.847 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -18.885 -10.975 2.774 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -19.754 -11.856 1.532 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -22.733 -11.836 3.358 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -21.893 -11.792 1.804 1.00 0.00 H new ATOM 1112 N SER A 74 -19.773 -14.658 1.405 1.00 0.00 N ATOM 1113 CA SER A 74 -20.557 -15.849 1.100 1.00 0.00 C ATOM 1114 C SER A 74 -20.121 -17.025 1.968 1.00 0.00 C ATOM 1115 O SER A 74 -18.974 -17.091 2.412 1.00 0.00 O ATOM 1116 CB SER A 74 -20.416 -16.212 -0.380 1.00 0.00 C ATOM 1117 OG SER A 74 -21.058 -17.443 -0.666 1.00 0.00 O ATOM 0 H SER A 74 -19.563 -14.073 0.597 1.00 0.00 H new ATOM 0 HA SER A 74 -21.603 -15.630 1.316 1.00 0.00 H new ATOM 0 HB2 SER A 74 -20.847 -15.422 -0.994 1.00 0.00 H new ATOM 0 HB3 SER A 74 -19.360 -16.279 -0.642 1.00 0.00 H new ATOM 0 HG SER A 74 -20.955 -17.652 -1.618 1.00 0.00 H new ATOM 1123 N ARG A 75 -21.042 -17.951 2.205 1.00 0.00 N ATOM 1124 CA ARG A 75 -20.754 -19.125 3.021 1.00 0.00 C ATOM 1125 C ARG A 75 -19.348 -19.647 2.745 1.00 0.00 C ATOM 1126 O ARG A 75 -18.998 -19.943 1.602 1.00 0.00 O ATOM 1127 CB ARG A 75 -21.781 -20.226 2.749 1.00 0.00 C ATOM 1128 CG ARG A 75 -21.744 -20.755 1.323 1.00 0.00 C ATOM 1129 CD ARG A 75 -23.065 -21.397 0.933 1.00 0.00 C ATOM 1130 NE ARG A 75 -23.205 -22.742 1.486 1.00 0.00 N ATOM 1131 CZ ARG A 75 -22.686 -23.826 0.922 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -21.996 -23.725 -0.206 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -22.856 -25.016 1.486 1.00 0.00 N ATOM 0 H ARG A 75 -21.995 -17.912 1.844 1.00 0.00 H new ATOM 0 HA ARG A 75 -20.815 -18.832 4.069 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -21.607 -21.052 3.439 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -22.779 -19.840 2.959 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -21.518 -19.939 0.637 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -20.941 -21.485 1.225 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -23.888 -20.774 1.283 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -23.139 -21.442 -0.154 1.00 0.00 H new ATOM 0 HE ARG A 75 -23.730 -22.854 2.353 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -21.863 -22.813 -0.642 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -21.598 -24.560 -0.637 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -23.386 -25.098 2.354 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -22.457 -25.848 1.052 1.00 0.00 H new ATOM 1147 N ASP A 76 -18.546 -19.756 3.798 1.00 0.00 N ATOM 1148 CA ASP A 76 -17.177 -20.242 3.670 1.00 0.00 C ATOM 1149 C ASP A 76 -16.707 -20.891 4.968 1.00 0.00 C ATOM 1150 O ASP A 76 -17.369 -20.789 6.001 1.00 0.00 O ATOM 1151 CB ASP A 76 -16.239 -19.094 3.290 1.00 0.00 C ATOM 1152 CG ASP A 76 -16.409 -17.886 4.189 1.00 0.00 C ATOM 1153 OD1 ASP A 76 -16.049 -17.977 5.381 1.00 0.00 O ATOM 1154 OD2 ASP A 76 -16.903 -16.848 3.700 1.00 0.00 O ATOM 0 H ASP A 76 -18.820 -19.514 4.750 1.00 0.00 H new ATOM 0 HA ASP A 76 -17.157 -20.994 2.881 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -15.207 -19.440 3.342 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -16.426 -18.803 2.256 1.00 0.00 H new ATOM 1159 N THR A 77 -15.561 -21.561 4.908 1.00 0.00 N ATOM 1160 CA THR A 77 -15.003 -22.229 6.077 1.00 0.00 C ATOM 1161 C THR A 77 -14.224 -21.252 6.949 1.00 0.00 C ATOM 1162 O THR A 77 -13.145 -21.575 7.449 1.00 0.00 O ATOM 1163 CB THR A 77 -14.075 -23.390 5.672 1.00 0.00 C ATOM 1164 OG1 THR A 77 -13.661 -24.115 6.834 1.00 0.00 O ATOM 1165 CG2 THR A 77 -12.853 -22.872 4.928 1.00 0.00 C ATOM 0 H THR A 77 -15.000 -21.656 4.061 1.00 0.00 H new ATOM 0 HA THR A 77 -15.844 -22.627 6.644 1.00 0.00 H new ATOM 0 HB THR A 77 -14.629 -24.054 5.009 1.00 0.00 H new ATOM 0 HG1 THR A 77 -13.199 -23.509 7.450 1.00 0.00 H new ATOM 0 HG21 THR A 77 -12.213 -23.710 4.652 1.00 0.00 H new ATOM 0 HG22 THR A 77 -13.171 -22.347 4.027 1.00 0.00 H new ATOM 0 HG23 THR A 77 -12.299 -22.188 5.571 1.00 0.00 H new ATOM 1173 N SER A 78 -14.776 -20.056 7.128 1.00 0.00 N ATOM 1174 CA SER A 78 -14.129 -19.030 7.939 1.00 0.00 C ATOM 1175 C SER A 78 -15.165 -18.196 8.685 1.00 0.00 C ATOM 1176 O SER A 78 -16.366 -18.326 8.455 1.00 0.00 O ATOM 1177 CB SER A 78 -13.267 -18.123 7.058 1.00 0.00 C ATOM 1178 OG SER A 78 -12.252 -18.864 6.403 1.00 0.00 O ATOM 0 H SER A 78 -15.669 -19.774 6.723 1.00 0.00 H new ATOM 0 HA SER A 78 -13.492 -19.527 8.670 1.00 0.00 H new ATOM 0 HB2 SER A 78 -13.895 -17.627 6.318 1.00 0.00 H new ATOM 0 HB3 SER A 78 -12.815 -17.341 7.668 1.00 0.00 H new ATOM 0 HG SER A 78 -11.716 -18.262 5.845 1.00 0.00 H new ATOM 1184 N GLY A 79 -14.690 -17.337 9.584 1.00 0.00 N ATOM 1185 CA GLY A 79 -15.587 -16.495 10.352 1.00 0.00 C ATOM 1186 C GLY A 79 -15.047 -15.090 10.535 1.00 0.00 C ATOM 1187 O GLY A 79 -14.759 -14.652 11.649 1.00 0.00 O ATOM 0 H GLY A 79 -13.700 -17.210 9.793 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -16.554 -16.447 9.851 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -15.756 -16.946 11.330 1.00 0.00 H new ATOM 1191 N PRO A 80 -14.903 -14.358 9.421 1.00 0.00 N ATOM 1192 CA PRO A 80 -14.393 -12.983 9.436 1.00 0.00 C ATOM 1193 C PRO A 80 -15.379 -12.006 10.068 1.00 0.00 C ATOM 1194 O PRO A 80 -16.587 -12.099 9.847 1.00 0.00 O ATOM 1195 CB PRO A 80 -14.196 -12.660 7.953 1.00 0.00 C ATOM 1196 CG PRO A 80 -15.151 -13.555 7.241 1.00 0.00 C ATOM 1197 CD PRO A 80 -15.228 -14.814 8.058 1.00 0.00 C ATOM 0 HA PRO A 80 -13.483 -12.893 10.030 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -14.406 -11.611 7.745 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -13.169 -12.848 7.640 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -16.132 -13.087 7.152 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -14.806 -13.767 6.229 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -16.220 -15.264 8.011 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.521 -15.565 7.706 1.00 0.00 H new ATOM 1205 N SER A 81 -14.857 -11.072 10.854 1.00 0.00 N ATOM 1206 CA SER A 81 -15.692 -10.079 11.520 1.00 0.00 C ATOM 1207 C SER A 81 -16.273 -9.093 10.512 1.00 0.00 C ATOM 1208 O SER A 81 -15.699 -8.035 10.259 1.00 0.00 O ATOM 1209 CB SER A 81 -14.881 -9.325 12.577 1.00 0.00 C ATOM 1210 OG SER A 81 -14.894 -10.014 13.817 1.00 0.00 O ATOM 0 H SER A 81 -13.859 -10.981 11.046 1.00 0.00 H new ATOM 0 HA SER A 81 -16.515 -10.602 12.007 1.00 0.00 H new ATOM 0 HB2 SER A 81 -13.853 -9.205 12.234 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.291 -8.324 12.709 1.00 0.00 H new ATOM 0 HG SER A 81 -14.368 -9.513 14.475 1.00 0.00 H new ATOM 1216 N SER A 82 -17.419 -9.450 9.939 1.00 0.00 N ATOM 1217 CA SER A 82 -18.077 -8.599 8.954 1.00 0.00 C ATOM 1218 C SER A 82 -19.567 -8.472 9.257 1.00 0.00 C ATOM 1219 O SER A 82 -20.117 -9.228 10.058 1.00 0.00 O ATOM 1220 CB SER A 82 -17.878 -9.164 7.546 1.00 0.00 C ATOM 1221 OG SER A 82 -18.270 -8.225 6.560 1.00 0.00 O ATOM 0 H SER A 82 -17.910 -10.321 10.140 1.00 0.00 H new ATOM 0 HA SER A 82 -17.626 -7.608 9.007 1.00 0.00 H new ATOM 0 HB2 SER A 82 -16.831 -9.431 7.403 1.00 0.00 H new ATOM 0 HB3 SER A 82 -18.459 -10.079 7.432 1.00 0.00 H new ATOM 0 HG SER A 82 -18.132 -8.609 5.669 1.00 0.00 H new ATOM 1227 N GLY A 83 -20.216 -7.509 8.610 1.00 0.00 N ATOM 1228 CA GLY A 83 -21.637 -7.300 8.822 1.00 0.00 C ATOM 1229 C GLY A 83 -22.038 -5.846 8.665 1.00 0.00 C ATOM 1230 O GLY A 83 -22.148 -5.142 9.668 1.00 0.00 O ATOM 0 H GLY A 83 -19.784 -6.870 7.943 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -22.200 -7.908 8.114 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -21.907 -7.642 9.821 1.00 0.00 H new TER 1234 GLY A 83 HETATM 1235 ZN ZN A 201 -1.767 -9.827 2.237 1.00 0.00 ZN HETATM 1236 ZN ZN A 401 0.356 3.816 6.750 1.00 0.00 ZN