USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 971 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: B 219 HIS HE2 : B 219 HIS NE2 : B 300 ZNZN :(H bumps) USER MOD Set 1.1: A 22 THR OG1 : rot 180:sc= -0.963 USER MOD Set 1.2: A 25 ASN : amide:sc= -1.14 X(o=-2.1,f=-2.1!) USER MOD Set 2.1: A 7 THR OG1 : rot 120:sc= 1.26 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.06 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 1.27 (180deg=1.13) USER MOD Single : A 2 GLN : amide:sc= -1.71! X(o=-1.7!,f=-1.4) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -81:sc= 1.82 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0861) USER MOD Single : A 31 GLN : amide:sc= -1.2 X(o=-1.2,f=-0.89) USER MOD Single : A 33 LYS NZ :NH3+ -135:sc= -0.839 (180deg=-3.87!) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 41 GLN : amide:sc= -3.73 K(o=-3.7,f=-1.5) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.62 X(o=-1.6,f=-1.7) USER MOD Single : A 55 THR OG1 : rot -61:sc= 0.149 USER MOD Single : A 57 SER OG : rot 180:sc= -1.24 USER MOD Single : A 59 TYR OH : rot -155:sc= -1.86 USER MOD Single : A 60 ASN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0271 X(o=-0.027,f=-0.066) USER MOD Single : B 198 GLN : amide:sc= 0 K(o=0,f=-0.92!) USER MOD Single : B 200 THR OG1 : rot 159:sc= 1.22 USER MOD Single : B 201 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 210 ASN : amide:sc= -0.672 K(o=-0.67,f=-3.3!) USER MOD Single : B 214 SER OG : rot 180:sc= 0 USER MOD Single : B 215 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : B 217 ASN : amide:sc= -0.41 K(o=-0.41,f=-1.2) USER MOD Single : B 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 222 SER OG : rot 180:sc= 0 USER MOD Single : B 225 SER OG : rot 83:sc= 1.02 USER MOD Single : B 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 230 LYS NZ :NH3+ 161:sc= -0.0663 (180deg=-0.487) USER MOD Single : B 232 SER OG : rot 180:sc= 0 USER MOD Single : B 235 SER OG : rot 91:sc= 1.18 USER MOD Single : B 236 SER OG : rot 180:sc= 0 USER MOD Single : B 238 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : B 239 LYS NZ :NH3+ -166:sc=-0.00331 (180deg=-0.179) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 96.608 16.389 10.290 1.00 0.00 N ATOM 2 CA MET A 1 96.786 15.067 10.965 1.00 0.00 C ATOM 3 C MET A 1 98.040 14.396 10.425 1.00 0.00 C ATOM 4 O MET A 1 98.108 14.056 9.245 1.00 0.00 O ATOM 5 CB MET A 1 95.563 14.172 10.699 1.00 0.00 C ATOM 6 CG MET A 1 95.699 12.837 11.458 1.00 0.00 C ATOM 7 SD MET A 1 94.060 12.115 11.723 1.00 0.00 S ATOM 8 CE MET A 1 94.056 11.038 10.271 1.00 0.00 C ATOM 0 H1 MET A 1 95.834 16.911 10.748 1.00 0.00 H new ATOM 0 H2 MET A 1 97.488 16.938 10.365 1.00 0.00 H new ATOM 0 H3 MET A 1 96.378 16.238 9.287 1.00 0.00 H new ATOM 0 HA MET A 1 96.884 15.219 12.040 1.00 0.00 H new ATOM 0 HB2 MET A 1 94.654 14.685 11.013 1.00 0.00 H new ATOM 0 HB3 MET A 1 95.469 13.982 9.630 1.00 0.00 H new ATOM 0 HG2 MET A 1 96.323 12.147 10.890 1.00 0.00 H new ATOM 0 HG3 MET A 1 96.194 13.001 12.415 1.00 0.00 H new ATOM 0 HE1 MET A 1 93.118 10.484 10.232 1.00 0.00 H new ATOM 0 HE2 MET A 1 94.158 11.642 9.370 1.00 0.00 H new ATOM 0 HE3 MET A 1 94.889 10.338 10.335 1.00 0.00 H new ATOM 20 N GLN A 2 99.005 14.208 11.310 1.00 0.00 N ATOM 21 CA GLN A 2 100.260 13.568 10.935 1.00 0.00 C ATOM 22 C GLN A 2 100.116 12.067 11.071 1.00 0.00 C ATOM 23 O GLN A 2 99.830 11.558 12.157 1.00 0.00 O ATOM 24 CB GLN A 2 101.409 14.057 11.821 1.00 0.00 C ATOM 25 CG GLN A 2 102.739 13.456 11.344 1.00 0.00 C ATOM 26 CD GLN A 2 103.881 13.918 12.245 1.00 0.00 C ATOM 27 OE1 GLN A 2 103.898 15.063 12.697 1.00 0.00 O ATOM 28 NE2 GLN A 2 104.835 13.081 12.545 1.00 0.00 N ATOM 0 H GLN A 2 98.946 14.487 12.289 1.00 0.00 H new ATOM 0 HA GLN A 2 100.489 13.828 9.902 1.00 0.00 H new ATOM 0 HB2 GLN A 2 101.462 15.145 11.792 1.00 0.00 H new ATOM 0 HB3 GLN A 2 101.225 13.774 12.857 1.00 0.00 H new ATOM 0 HG2 GLN A 2 102.678 12.368 11.352 1.00 0.00 H new ATOM 0 HG3 GLN A 2 102.934 13.757 10.315 1.00 0.00 H new ATOM 0 HE21 GLN A 2 104.819 12.133 12.169 1.00 0.00 H new ATOM 0 HE22 GLN A 2 105.598 13.374 13.155 1.00 0.00 H new ATOM 37 N ILE A 3 100.322 11.379 9.959 1.00 0.00 N ATOM 38 CA ILE A 3 100.228 9.929 9.928 1.00 0.00 C ATOM 39 C ILE A 3 101.527 9.360 9.382 1.00 0.00 C ATOM 40 O ILE A 3 102.302 10.077 8.742 1.00 0.00 O ATOM 41 CB ILE A 3 99.035 9.477 9.064 1.00 0.00 C ATOM 42 CG1 ILE A 3 99.204 9.983 7.615 1.00 0.00 C ATOM 43 CG2 ILE A 3 97.735 10.035 9.669 1.00 0.00 C ATOM 44 CD1 ILE A 3 98.180 9.307 6.696 1.00 0.00 C ATOM 0 H ILE A 3 100.556 11.805 9.062 1.00 0.00 H new ATOM 0 HA ILE A 3 100.065 9.558 10.940 1.00 0.00 H new ATOM 0 HB ILE A 3 98.992 8.388 9.047 1.00 0.00 H new ATOM 0 HG12 ILE A 3 99.075 11.065 7.582 1.00 0.00 H new ATOM 0 HG13 ILE A 3 100.214 9.772 7.264 1.00 0.00 H new ATOM 0 HG21 ILE A 3 96.886 9.719 9.062 1.00 0.00 H new ATOM 0 HG22 ILE A 3 97.615 9.658 10.685 1.00 0.00 H new ATOM 0 HG23 ILE A 3 97.781 11.124 9.689 1.00 0.00 H new ATOM 0 HD11 ILE A 3 98.309 9.672 5.677 1.00 0.00 H new ATOM 0 HD12 ILE A 3 98.329 8.227 6.717 1.00 0.00 H new ATOM 0 HD13 ILE A 3 97.172 9.540 7.040 1.00 0.00 H new ATOM 56 N PHE A 4 101.761 8.083 9.647 1.00 0.00 N ATOM 57 CA PHE A 4 102.977 7.425 9.185 1.00 0.00 C ATOM 58 C PHE A 4 102.617 6.310 8.216 1.00 0.00 C ATOM 59 O PHE A 4 101.605 5.628 8.393 1.00 0.00 O ATOM 60 CB PHE A 4 103.743 6.830 10.377 1.00 0.00 C ATOM 61 CG PHE A 4 104.083 7.920 11.371 1.00 0.00 C ATOM 62 CD1 PHE A 4 103.208 8.194 12.429 1.00 0.00 C ATOM 63 CD2 PHE A 4 105.270 8.646 11.236 1.00 0.00 C ATOM 64 CE1 PHE A 4 103.518 9.201 13.349 1.00 0.00 C ATOM 65 CE2 PHE A 4 105.580 9.653 12.156 1.00 0.00 C ATOM 66 CZ PHE A 4 104.707 9.929 13.215 1.00 0.00 C ATOM 0 H PHE A 4 101.129 7.483 10.177 1.00 0.00 H new ATOM 0 HA PHE A 4 103.606 8.161 8.684 1.00 0.00 H new ATOM 0 HB2 PHE A 4 103.140 6.061 10.860 1.00 0.00 H new ATOM 0 HB3 PHE A 4 104.656 6.347 10.029 1.00 0.00 H new ATOM 0 HD1 PHE A 4 102.294 7.628 12.535 1.00 0.00 H new ATOM 0 HD2 PHE A 4 105.947 8.430 10.423 1.00 0.00 H new ATOM 0 HE1 PHE A 4 102.841 9.417 14.162 1.00 0.00 H new ATOM 0 HE2 PHE A 4 106.494 10.218 12.049 1.00 0.00 H new ATOM 0 HZ PHE A 4 104.950 10.703 13.928 1.00 0.00 H new ATOM 76 N VAL A 5 103.456 6.123 7.202 1.00 0.00 N ATOM 77 CA VAL A 5 103.237 5.070 6.216 1.00 0.00 C ATOM 78 C VAL A 5 104.481 4.190 6.174 1.00 0.00 C ATOM 79 O VAL A 5 105.607 4.695 6.157 1.00 0.00 O ATOM 80 CB VAL A 5 102.924 5.669 4.828 1.00 0.00 C ATOM 81 CG1 VAL A 5 102.695 4.546 3.805 1.00 0.00 C ATOM 82 CG2 VAL A 5 101.657 6.533 4.911 1.00 0.00 C ATOM 0 H VAL A 5 104.292 6.685 7.042 1.00 0.00 H new ATOM 0 HA VAL A 5 102.374 4.468 6.500 1.00 0.00 H new ATOM 0 HB VAL A 5 103.770 6.279 4.513 1.00 0.00 H new ATOM 0 HG11 VAL A 5 102.475 4.981 2.830 1.00 0.00 H new ATOM 0 HG12 VAL A 5 103.592 3.930 3.734 1.00 0.00 H new ATOM 0 HG13 VAL A 5 101.855 3.929 4.124 1.00 0.00 H new ATOM 0 HG21 VAL A 5 101.439 6.954 3.930 1.00 0.00 H new ATOM 0 HG22 VAL A 5 100.818 5.918 5.237 1.00 0.00 H new ATOM 0 HG23 VAL A 5 101.814 7.341 5.626 1.00 0.00 H new ATOM 92 N LYS A 6 104.263 2.876 6.173 1.00 0.00 N ATOM 93 CA LYS A 6 105.366 1.923 6.147 1.00 0.00 C ATOM 94 C LYS A 6 105.199 0.944 4.993 1.00 0.00 C ATOM 95 O LYS A 6 104.200 0.225 4.911 1.00 0.00 O ATOM 96 CB LYS A 6 105.419 1.152 7.468 1.00 0.00 C ATOM 97 CG LYS A 6 106.675 0.277 7.502 1.00 0.00 C ATOM 98 CD LYS A 6 106.761 -0.442 8.843 1.00 0.00 C ATOM 99 CE LYS A 6 108.027 -1.294 8.876 1.00 0.00 C ATOM 100 NZ LYS A 6 108.127 -1.981 10.192 1.00 0.00 N ATOM 0 H LYS A 6 103.336 2.451 6.190 1.00 0.00 H new ATOM 0 HA LYS A 6 106.296 2.474 6.009 1.00 0.00 H new ATOM 0 HB2 LYS A 6 105.426 1.848 8.307 1.00 0.00 H new ATOM 0 HB3 LYS A 6 104.529 0.532 7.575 1.00 0.00 H new ATOM 0 HG2 LYS A 6 106.647 -0.449 6.690 1.00 0.00 H new ATOM 0 HG3 LYS A 6 107.563 0.891 7.350 1.00 0.00 H new ATOM 0 HD2 LYS A 6 106.775 0.282 9.657 1.00 0.00 H new ATOM 0 HD3 LYS A 6 105.882 -1.070 8.990 1.00 0.00 H new ATOM 0 HE2 LYS A 6 108.005 -2.028 8.071 1.00 0.00 H new ATOM 0 HE3 LYS A 6 108.904 -0.668 8.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 108.989 -2.562 10.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 108.166 -1.272 10.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 107.295 -2.590 10.330 1.00 0.00 H new ATOM 114 N THR A 7 106.188 0.939 4.107 1.00 0.00 N ATOM 115 CA THR A 7 106.161 0.064 2.942 1.00 0.00 C ATOM 116 C THR A 7 106.577 -1.346 3.342 1.00 0.00 C ATOM 117 O THR A 7 107.097 -1.560 4.440 1.00 0.00 O ATOM 118 CB THR A 7 107.119 0.588 1.861 1.00 0.00 C ATOM 119 OG1 THR A 7 108.447 0.578 2.370 1.00 0.00 O ATOM 120 CG2 THR A 7 106.738 2.019 1.459 1.00 0.00 C ATOM 0 H THR A 7 107.017 1.530 4.173 1.00 0.00 H new ATOM 0 HA THR A 7 105.146 0.046 2.544 1.00 0.00 H new ATOM 0 HB THR A 7 107.051 -0.054 0.983 1.00 0.00 H new ATOM 0 HG1 THR A 7 109.007 0.001 1.811 1.00 0.00 H new ATOM 0 HG21 THR A 7 107.425 2.377 0.693 1.00 0.00 H new ATOM 0 HG22 THR A 7 105.721 2.028 1.067 1.00 0.00 H new ATOM 0 HG23 THR A 7 106.797 2.670 2.331 1.00 0.00 H new ATOM 128 N LEU A 8 106.328 -2.297 2.449 1.00 0.00 N ATOM 129 CA LEU A 8 106.662 -3.697 2.700 1.00 0.00 C ATOM 130 C LEU A 8 108.174 -3.899 2.816 1.00 0.00 C ATOM 131 O LEU A 8 108.630 -4.866 3.431 1.00 0.00 O ATOM 132 CB LEU A 8 106.130 -4.570 1.561 1.00 0.00 C ATOM 133 CG LEU A 8 104.595 -4.512 1.529 1.00 0.00 C ATOM 134 CD1 LEU A 8 104.088 -5.153 0.233 1.00 0.00 C ATOM 135 CD2 LEU A 8 104.020 -5.272 2.729 1.00 0.00 C ATOM 0 H LEU A 8 105.895 -2.125 1.542 1.00 0.00 H new ATOM 0 HA LEU A 8 106.199 -3.984 3.644 1.00 0.00 H new ATOM 0 HB2 LEU A 8 106.535 -4.227 0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 8 106.461 -5.600 1.696 1.00 0.00 H new ATOM 0 HG LEU A 8 104.275 -3.471 1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 8 102.999 -5.113 0.209 1.00 0.00 H new ATOM 0 HD12 LEU A 8 104.490 -4.611 -0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 8 104.414 -6.192 0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 8 102.931 -5.227 2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 8 104.341 -6.313 2.688 1.00 0.00 H new ATOM 0 HD23 LEU A 8 104.378 -4.818 3.653 1.00 0.00 H new ATOM 147 N THR A 9 108.936 -2.978 2.226 1.00 0.00 N ATOM 148 CA THR A 9 110.394 -3.046 2.258 1.00 0.00 C ATOM 149 C THR A 9 110.947 -2.636 3.630 1.00 0.00 C ATOM 150 O THR A 9 112.090 -2.959 3.958 1.00 0.00 O ATOM 151 CB THR A 9 110.971 -2.140 1.164 1.00 0.00 C ATOM 152 OG1 THR A 9 110.464 -0.823 1.330 1.00 0.00 O ATOM 153 CG2 THR A 9 110.569 -2.677 -0.218 1.00 0.00 C ATOM 0 H THR A 9 108.565 -2.174 1.719 1.00 0.00 H new ATOM 0 HA THR A 9 110.693 -4.078 2.077 1.00 0.00 H new ATOM 0 HB THR A 9 112.058 -2.125 1.240 1.00 0.00 H new ATOM 0 HG1 THR A 9 110.832 -0.241 0.633 1.00 0.00 H new ATOM 0 HG21 THR A 9 110.981 -2.031 -0.993 1.00 0.00 H new ATOM 0 HG22 THR A 9 110.958 -3.687 -0.343 1.00 0.00 H new ATOM 0 HG23 THR A 9 109.482 -2.694 -0.300 1.00 0.00 H new ATOM 161 N GLY A 10 110.126 -1.938 4.427 1.00 0.00 N ATOM 162 CA GLY A 10 110.538 -1.501 5.763 1.00 0.00 C ATOM 163 C GLY A 10 110.738 0.015 5.846 1.00 0.00 C ATOM 164 O GLY A 10 110.881 0.558 6.945 1.00 0.00 O ATOM 0 H GLY A 10 109.177 -1.666 4.169 1.00 0.00 H new ATOM 0 HA2 GLY A 10 109.785 -1.806 6.490 1.00 0.00 H new ATOM 0 HA3 GLY A 10 111.466 -2.003 6.036 1.00 0.00 H new ATOM 168 N LYS A 11 110.745 0.694 4.691 1.00 0.00 N ATOM 169 CA LYS A 11 110.924 2.143 4.665 1.00 0.00 C ATOM 170 C LYS A 11 109.807 2.818 5.453 1.00 0.00 C ATOM 171 O LYS A 11 108.693 2.291 5.541 1.00 0.00 O ATOM 172 CB LYS A 11 110.927 2.655 3.222 1.00 0.00 C ATOM 173 CG LYS A 11 111.334 4.132 3.201 1.00 0.00 C ATOM 174 CD LYS A 11 111.380 4.625 1.760 1.00 0.00 C ATOM 175 CE LYS A 11 111.810 6.092 1.732 1.00 0.00 C ATOM 176 NZ LYS A 11 111.818 6.578 0.324 1.00 0.00 N ATOM 0 H LYS A 11 110.630 0.264 3.773 1.00 0.00 H new ATOM 0 HA LYS A 11 111.883 2.385 5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 11 111.620 2.068 2.619 1.00 0.00 H new ATOM 0 HB3 LYS A 11 109.938 2.534 2.780 1.00 0.00 H new ATOM 0 HG2 LYS A 11 110.623 4.724 3.777 1.00 0.00 H new ATOM 0 HG3 LYS A 11 112.309 4.258 3.671 1.00 0.00 H new ATOM 0 HD2 LYS A 11 112.077 4.020 1.180 1.00 0.00 H new ATOM 0 HD3 LYS A 11 110.400 4.514 1.296 1.00 0.00 H new ATOM 0 HE2 LYS A 11 111.128 6.694 2.332 1.00 0.00 H new ATOM 0 HE3 LYS A 11 112.802 6.200 2.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 112.110 7.576 0.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 112.485 6.010 -0.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 110.864 6.488 -0.080 1.00 0.00 H new ATOM 190 N THR A 12 110.119 3.981 6.023 1.00 0.00 N ATOM 191 CA THR A 12 109.143 4.733 6.811 1.00 0.00 C ATOM 192 C THR A 12 109.088 6.189 6.354 1.00 0.00 C ATOM 193 O THR A 12 110.116 6.860 6.252 1.00 0.00 O ATOM 194 CB THR A 12 109.503 4.675 8.298 1.00 0.00 C ATOM 195 OG1 THR A 12 109.734 3.324 8.672 1.00 0.00 O ATOM 196 CG2 THR A 12 108.343 5.233 9.129 1.00 0.00 C ATOM 0 H THR A 12 111.036 4.422 5.955 1.00 0.00 H new ATOM 0 HA THR A 12 108.163 4.279 6.660 1.00 0.00 H new ATOM 0 HB THR A 12 110.400 5.268 8.477 1.00 0.00 H new ATOM 0 HG1 THR A 12 109.966 3.283 9.623 1.00 0.00 H new ATOM 0 HG21 THR A 12 108.600 5.191 10.187 1.00 0.00 H new ATOM 0 HG22 THR A 12 108.154 6.268 8.842 1.00 0.00 H new ATOM 0 HG23 THR A 12 107.448 4.638 8.950 1.00 0.00 H new ATOM 204 N ILE A 13 107.873 6.657 6.091 1.00 0.00 N ATOM 205 CA ILE A 13 107.642 8.031 5.651 1.00 0.00 C ATOM 206 C ILE A 13 106.501 8.648 6.458 1.00 0.00 C ATOM 207 O ILE A 13 105.450 8.027 6.633 1.00 0.00 O ATOM 208 CB ILE A 13 107.303 8.053 4.141 1.00 0.00 C ATOM 209 CG1 ILE A 13 107.021 9.507 3.676 1.00 0.00 C ATOM 210 CG2 ILE A 13 106.074 7.166 3.862 1.00 0.00 C ATOM 211 CD1 ILE A 13 106.872 9.561 2.151 1.00 0.00 C ATOM 0 H ILE A 13 107.023 6.099 6.176 1.00 0.00 H new ATOM 0 HA ILE A 13 108.547 8.616 5.815 1.00 0.00 H new ATOM 0 HB ILE A 13 108.156 7.664 3.585 1.00 0.00 H new ATOM 0 HG12 ILE A 13 106.112 9.877 4.150 1.00 0.00 H new ATOM 0 HG13 ILE A 13 107.834 10.161 3.992 1.00 0.00 H new ATOM 0 HG21 ILE A 13 105.844 7.188 2.797 1.00 0.00 H new ATOM 0 HG22 ILE A 13 106.288 6.141 4.166 1.00 0.00 H new ATOM 0 HG23 ILE A 13 105.220 7.540 4.426 1.00 0.00 H new ATOM 0 HD11 ILE A 13 106.675 10.587 1.841 1.00 0.00 H new ATOM 0 HD12 ILE A 13 107.792 9.211 1.683 1.00 0.00 H new ATOM 0 HD13 ILE A 13 106.043 8.923 1.844 1.00 0.00 H new ATOM 223 N THR A 14 106.705 9.885 6.906 1.00 0.00 N ATOM 224 CA THR A 14 105.674 10.594 7.653 1.00 0.00 C ATOM 225 C THR A 14 104.937 11.507 6.692 1.00 0.00 C ATOM 226 O THR A 14 105.553 12.313 5.992 1.00 0.00 O ATOM 227 CB THR A 14 106.272 11.416 8.794 1.00 0.00 C ATOM 228 OG1 THR A 14 107.087 10.582 9.606 1.00 0.00 O ATOM 229 CG2 THR A 14 105.143 12.013 9.644 1.00 0.00 C ATOM 0 H THR A 14 107.567 10.411 6.765 1.00 0.00 H new ATOM 0 HA THR A 14 104.993 9.868 8.097 1.00 0.00 H new ATOM 0 HB THR A 14 106.878 12.221 8.379 1.00 0.00 H new ATOM 0 HG1 THR A 14 106.521 10.074 10.225 1.00 0.00 H new ATOM 0 HG21 THR A 14 105.571 12.599 10.457 1.00 0.00 H new ATOM 0 HG22 THR A 14 104.520 12.656 9.022 1.00 0.00 H new ATOM 0 HG23 THR A 14 104.534 11.209 10.057 1.00 0.00 H new ATOM 237 N LEU A 15 103.623 11.325 6.629 1.00 0.00 N ATOM 238 CA LEU A 15 102.790 12.085 5.707 1.00 0.00 C ATOM 239 C LEU A 15 101.785 12.944 6.455 1.00 0.00 C ATOM 240 O LEU A 15 101.108 12.471 7.374 1.00 0.00 O ATOM 241 CB LEU A 15 102.066 11.101 4.784 1.00 0.00 C ATOM 242 CG LEU A 15 101.358 11.838 3.645 1.00 0.00 C ATOM 243 CD1 LEU A 15 102.386 12.467 2.690 1.00 0.00 C ATOM 244 CD2 LEU A 15 100.500 10.835 2.878 1.00 0.00 C ATOM 0 H LEU A 15 103.112 10.657 7.206 1.00 0.00 H new ATOM 0 HA LEU A 15 103.420 12.755 5.122 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.782 10.389 4.372 1.00 0.00 H new ATOM 0 HB3 LEU A 15 101.339 10.526 5.358 1.00 0.00 H new ATOM 0 HG LEU A 15 100.738 12.633 4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.865 12.987 1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 15 103.006 13.176 3.239 1.00 0.00 H new ATOM 0 HD13 LEU A 15 103.016 11.685 2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 15 99.988 11.344 2.062 1.00 0.00 H new ATOM 0 HD22 LEU A 15 101.135 10.048 2.473 1.00 0.00 H new ATOM 0 HD23 LEU A 15 99.763 10.396 3.551 1.00 0.00 H new ATOM 256 N GLU A 16 101.696 14.205 6.040 1.00 0.00 N ATOM 257 CA GLU A 16 100.779 15.148 6.660 1.00 0.00 C ATOM 258 C GLU A 16 99.495 15.241 5.857 1.00 0.00 C ATOM 259 O GLU A 16 99.500 15.723 4.723 1.00 0.00 O ATOM 260 CB GLU A 16 101.426 16.532 6.738 1.00 0.00 C ATOM 261 CG GLU A 16 102.605 16.503 7.726 1.00 0.00 C ATOM 262 CD GLU A 16 103.335 17.857 7.762 1.00 0.00 C ATOM 263 OE1 GLU A 16 104.276 17.983 8.534 1.00 0.00 O ATOM 264 OE2 GLU A 16 102.952 18.749 7.021 1.00 0.00 O ATOM 0 H GLU A 16 102.249 14.594 5.277 1.00 0.00 H new ATOM 0 HA GLU A 16 100.549 14.795 7.665 1.00 0.00 H new ATOM 0 HB2 GLU A 16 101.774 16.836 5.751 1.00 0.00 H new ATOM 0 HB3 GLU A 16 100.690 17.270 7.058 1.00 0.00 H new ATOM 0 HG2 GLU A 16 102.241 16.257 8.723 1.00 0.00 H new ATOM 0 HG3 GLU A 16 103.304 15.718 7.439 1.00 0.00 H new ATOM 271 N VAL A 17 98.404 14.764 6.447 1.00 0.00 N ATOM 272 CA VAL A 17 97.104 14.785 5.780 1.00 0.00 C ATOM 273 C VAL A 17 96.009 15.141 6.773 1.00 0.00 C ATOM 274 O VAL A 17 96.270 15.247 7.969 1.00 0.00 O ATOM 275 CB VAL A 17 96.806 13.430 5.127 1.00 0.00 C ATOM 276 CG1 VAL A 17 97.841 13.159 4.033 1.00 0.00 C ATOM 277 CG2 VAL A 17 96.867 12.308 6.177 1.00 0.00 C ATOM 0 H VAL A 17 98.392 14.359 7.383 1.00 0.00 H new ATOM 0 HA VAL A 17 97.132 15.544 4.998 1.00 0.00 H new ATOM 0 HB VAL A 17 95.806 13.455 4.694 1.00 0.00 H new ATOM 0 HG11 VAL A 17 97.633 12.196 3.566 1.00 0.00 H new ATOM 0 HG12 VAL A 17 97.790 13.946 3.281 1.00 0.00 H new ATOM 0 HG13 VAL A 17 98.838 13.141 4.472 1.00 0.00 H new ATOM 0 HG21 VAL A 17 96.654 11.351 5.700 1.00 0.00 H new ATOM 0 HG22 VAL A 17 97.862 12.278 6.620 1.00 0.00 H new ATOM 0 HG23 VAL A 17 96.128 12.498 6.956 1.00 0.00 H new ATOM 287 N GLU A 18 94.787 15.321 6.273 1.00 0.00 N ATOM 288 CA GLU A 18 93.659 15.655 7.141 1.00 0.00 C ATOM 289 C GLU A 18 92.523 14.631 6.968 1.00 0.00 C ATOM 290 O GLU A 18 92.393 14.045 5.894 1.00 0.00 O ATOM 291 CB GLU A 18 93.130 17.057 6.832 1.00 0.00 C ATOM 292 CG GLU A 18 94.135 18.102 7.321 1.00 0.00 C ATOM 293 CD GLU A 18 93.709 19.490 6.861 1.00 0.00 C ATOM 294 OE1 GLU A 18 94.169 19.913 5.813 1.00 0.00 O ATOM 295 OE2 GLU A 18 92.926 20.110 7.562 1.00 0.00 O ATOM 0 H GLU A 18 94.554 15.242 5.283 1.00 0.00 H new ATOM 0 HA GLU A 18 94.013 15.629 8.171 1.00 0.00 H new ATOM 0 HB2 GLU A 18 92.967 17.168 5.760 1.00 0.00 H new ATOM 0 HB3 GLU A 18 92.166 17.209 7.318 1.00 0.00 H new ATOM 0 HG2 GLU A 18 94.200 18.075 8.409 1.00 0.00 H new ATOM 0 HG3 GLU A 18 95.128 17.871 6.936 1.00 0.00 H new ATOM 302 N PRO A 19 91.701 14.398 7.992 1.00 0.00 N ATOM 303 CA PRO A 19 90.568 13.414 7.906 1.00 0.00 C ATOM 304 C PRO A 19 89.642 13.715 6.724 1.00 0.00 C ATOM 305 O PRO A 19 89.109 12.802 6.088 1.00 0.00 O ATOM 306 CB PRO A 19 89.833 13.581 9.240 1.00 0.00 C ATOM 307 CG PRO A 19 90.846 14.143 10.177 1.00 0.00 C ATOM 308 CD PRO A 19 91.745 15.030 9.335 1.00 0.00 C ATOM 0 HA PRO A 19 90.919 12.395 7.740 1.00 0.00 H new ATOM 0 HB2 PRO A 19 88.978 14.249 9.137 1.00 0.00 H new ATOM 0 HB3 PRO A 19 89.450 12.626 9.601 1.00 0.00 H new ATOM 0 HG2 PRO A 19 90.368 14.715 10.972 1.00 0.00 H new ATOM 0 HG3 PRO A 19 91.419 13.348 10.655 1.00 0.00 H new ATOM 0 HD2 PRO A 19 91.382 16.057 9.307 1.00 0.00 H new ATOM 0 HD3 PRO A 19 92.760 15.062 9.730 1.00 0.00 H new ATOM 316 N SER A 20 89.469 15.006 6.444 1.00 0.00 N ATOM 317 CA SER A 20 88.623 15.454 5.332 1.00 0.00 C ATOM 318 C SER A 20 89.249 15.111 3.976 1.00 0.00 C ATOM 319 O SER A 20 88.546 15.056 2.963 1.00 0.00 O ATOM 320 CB SER A 20 88.405 16.965 5.420 1.00 0.00 C ATOM 321 OG SER A 20 89.664 17.623 5.386 1.00 0.00 O ATOM 0 H SER A 20 89.903 15.764 6.971 1.00 0.00 H new ATOM 0 HA SER A 20 87.668 14.934 5.411 1.00 0.00 H new ATOM 0 HB2 SER A 20 87.782 17.303 4.592 1.00 0.00 H new ATOM 0 HB3 SER A 20 87.876 17.215 6.339 1.00 0.00 H new ATOM 0 HG SER A 20 89.528 18.592 5.440 1.00 0.00 H new ATOM 327 N ASP A 21 90.570 14.889 3.962 1.00 0.00 N ATOM 328 CA ASP A 21 91.282 14.557 2.729 1.00 0.00 C ATOM 329 C ASP A 21 90.928 13.148 2.282 1.00 0.00 C ATOM 330 O ASP A 21 90.836 12.230 3.104 1.00 0.00 O ATOM 331 CB ASP A 21 92.796 14.667 2.942 1.00 0.00 C ATOM 332 CG ASP A 21 93.536 14.627 1.600 1.00 0.00 C ATOM 333 OD1 ASP A 21 94.346 13.730 1.415 1.00 0.00 O ATOM 334 OD2 ASP A 21 93.290 15.499 0.785 1.00 0.00 O ATOM 0 H ASP A 21 91.163 14.934 4.791 1.00 0.00 H new ATOM 0 HA ASP A 21 90.981 15.263 1.955 1.00 0.00 H new ATOM 0 HB2 ASP A 21 93.028 15.595 3.464 1.00 0.00 H new ATOM 0 HB3 ASP A 21 93.139 13.850 3.577 1.00 0.00 H new ATOM 339 N THR A 22 90.729 12.991 0.975 1.00 0.00 N ATOM 340 CA THR A 22 90.384 11.696 0.410 1.00 0.00 C ATOM 341 C THR A 22 91.641 10.868 0.172 1.00 0.00 C ATOM 342 O THR A 22 92.743 11.409 0.082 1.00 0.00 O ATOM 343 CB THR A 22 89.637 11.888 -0.911 1.00 0.00 C ATOM 344 OG1 THR A 22 90.330 12.833 -1.714 1.00 0.00 O ATOM 345 CG2 THR A 22 88.220 12.399 -0.633 1.00 0.00 C ATOM 0 H THR A 22 90.801 13.745 0.292 1.00 0.00 H new ATOM 0 HA THR A 22 89.743 11.168 1.116 1.00 0.00 H new ATOM 0 HB THR A 22 89.581 10.934 -1.435 1.00 0.00 H new ATOM 0 HG1 THR A 22 89.852 12.955 -2.561 1.00 0.00 H new ATOM 0 HG21 THR A 22 87.691 12.535 -1.576 1.00 0.00 H new ATOM 0 HG22 THR A 22 87.686 11.674 -0.018 1.00 0.00 H new ATOM 0 HG23 THR A 22 88.274 13.352 -0.107 1.00 0.00 H new ATOM 353 N ILE A 23 91.463 9.553 0.096 1.00 0.00 N ATOM 354 CA ILE A 23 92.589 8.645 -0.108 1.00 0.00 C ATOM 355 C ILE A 23 93.291 8.988 -1.427 1.00 0.00 C ATOM 356 O ILE A 23 94.525 9.003 -1.485 1.00 0.00 O ATOM 357 CB ILE A 23 92.102 7.177 -0.104 1.00 0.00 C ATOM 358 CG1 ILE A 23 91.550 6.795 1.300 1.00 0.00 C ATOM 359 CG2 ILE A 23 93.250 6.226 -0.508 1.00 0.00 C ATOM 360 CD1 ILE A 23 92.629 6.891 2.402 1.00 0.00 C ATOM 0 H ILE A 23 90.556 9.093 0.172 1.00 0.00 H new ATOM 0 HA ILE A 23 93.302 8.763 0.708 1.00 0.00 H new ATOM 0 HB ILE A 23 91.298 7.076 -0.833 1.00 0.00 H new ATOM 0 HG12 ILE A 23 90.718 7.452 1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 23 91.156 5.779 1.269 1.00 0.00 H new ATOM 0 HG21 ILE A 23 92.890 5.197 -0.500 1.00 0.00 H new ATOM 0 HG22 ILE A 23 93.598 6.481 -1.509 1.00 0.00 H new ATOM 0 HG23 ILE A 23 94.073 6.328 0.199 1.00 0.00 H new ATOM 0 HD11 ILE A 23 92.194 6.615 3.362 1.00 0.00 H new ATOM 0 HD12 ILE A 23 93.450 6.214 2.167 1.00 0.00 H new ATOM 0 HD13 ILE A 23 93.005 7.913 2.455 1.00 0.00 H new ATOM 372 N GLU A 24 92.504 9.268 -2.464 1.00 0.00 N ATOM 373 CA GLU A 24 93.068 9.624 -3.766 1.00 0.00 C ATOM 374 C GLU A 24 93.976 10.853 -3.633 1.00 0.00 C ATOM 375 O GLU A 24 95.003 10.956 -4.310 1.00 0.00 O ATOM 376 CB GLU A 24 91.932 9.934 -4.746 1.00 0.00 C ATOM 377 CG GLU A 24 92.505 10.146 -6.158 1.00 0.00 C ATOM 378 CD GLU A 24 93.066 8.833 -6.728 1.00 0.00 C ATOM 379 OE1 GLU A 24 93.662 8.882 -7.796 1.00 0.00 O ATOM 380 OE2 GLU A 24 92.899 7.801 -6.098 1.00 0.00 O ATOM 0 H GLU A 24 91.485 9.256 -2.430 1.00 0.00 H new ATOM 0 HA GLU A 24 93.658 8.786 -4.138 1.00 0.00 H new ATOM 0 HB2 GLU A 24 91.213 9.115 -4.755 1.00 0.00 H new ATOM 0 HB3 GLU A 24 91.395 10.826 -4.424 1.00 0.00 H new ATOM 0 HG2 GLU A 24 91.726 10.529 -6.817 1.00 0.00 H new ATOM 0 HG3 GLU A 24 93.293 10.898 -6.125 1.00 0.00 H new ATOM 387 N ASN A 25 93.593 11.761 -2.734 1.00 0.00 N ATOM 388 CA ASN A 25 94.377 12.969 -2.477 1.00 0.00 C ATOM 389 C ASN A 25 95.687 12.616 -1.774 1.00 0.00 C ATOM 390 O ASN A 25 96.736 13.194 -2.067 1.00 0.00 O ATOM 391 CB ASN A 25 93.577 13.965 -1.625 1.00 0.00 C ATOM 392 CG ASN A 25 92.570 14.731 -2.488 1.00 0.00 C ATOM 393 OD1 ASN A 25 92.776 14.906 -3.692 1.00 0.00 O ATOM 394 ND2 ASN A 25 91.488 15.206 -1.939 1.00 0.00 N ATOM 0 H ASN A 25 92.745 11.683 -2.172 1.00 0.00 H new ATOM 0 HA ASN A 25 94.605 13.435 -3.436 1.00 0.00 H new ATOM 0 HB2 ASN A 25 93.052 13.433 -0.832 1.00 0.00 H new ATOM 0 HB3 ASN A 25 94.257 14.667 -1.142 1.00 0.00 H new ATOM 0 HD21 ASN A 25 90.813 15.721 -2.504 1.00 0.00 H new ATOM 0 HD22 ASN A 25 91.316 15.062 -0.944 1.00 0.00 H new ATOM 401 N VAL A 26 95.605 11.666 -0.835 1.00 0.00 N ATOM 402 CA VAL A 26 96.775 11.231 -0.068 1.00 0.00 C ATOM 403 C VAL A 26 97.841 10.645 -0.998 1.00 0.00 C ATOM 404 O VAL A 26 99.027 10.955 -0.856 1.00 0.00 O ATOM 405 CB VAL A 26 96.355 10.177 0.983 1.00 0.00 C ATOM 406 CG1 VAL A 26 97.576 9.689 1.784 1.00 0.00 C ATOM 407 CG2 VAL A 26 95.337 10.791 1.954 1.00 0.00 C ATOM 0 H VAL A 26 94.740 11.185 -0.589 1.00 0.00 H new ATOM 0 HA VAL A 26 97.197 12.097 0.441 1.00 0.00 H new ATOM 0 HB VAL A 26 95.911 9.331 0.459 1.00 0.00 H new ATOM 0 HG11 VAL A 26 97.258 8.948 2.517 1.00 0.00 H new ATOM 0 HG12 VAL A 26 98.300 9.239 1.105 1.00 0.00 H new ATOM 0 HG13 VAL A 26 98.036 10.534 2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 26 95.043 10.045 2.693 1.00 0.00 H new ATOM 0 HG22 VAL A 26 95.786 11.646 2.460 1.00 0.00 H new ATOM 0 HG23 VAL A 26 94.457 11.118 1.400 1.00 0.00 H new ATOM 417 N LYS A 27 97.415 9.777 -1.920 1.00 0.00 N ATOM 418 CA LYS A 27 98.359 9.132 -2.835 1.00 0.00 C ATOM 419 C LYS A 27 99.157 10.189 -3.592 1.00 0.00 C ATOM 420 O LYS A 27 100.380 10.084 -3.698 1.00 0.00 O ATOM 421 CB LYS A 27 97.618 8.226 -3.817 1.00 0.00 C ATOM 422 CG LYS A 27 97.019 7.040 -3.058 1.00 0.00 C ATOM 423 CD LYS A 27 96.257 6.142 -4.035 1.00 0.00 C ATOM 424 CE LYS A 27 95.686 4.942 -3.281 1.00 0.00 C ATOM 425 NZ LYS A 27 94.922 4.081 -4.227 1.00 0.00 N ATOM 0 H LYS A 27 96.440 9.508 -2.051 1.00 0.00 H new ATOM 0 HA LYS A 27 99.047 8.519 -2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 27 96.830 8.785 -4.322 1.00 0.00 H new ATOM 0 HB3 LYS A 27 98.301 7.871 -4.589 1.00 0.00 H new ATOM 0 HG2 LYS A 27 97.809 6.473 -2.566 1.00 0.00 H new ATOM 0 HG3 LYS A 27 96.348 7.396 -2.276 1.00 0.00 H new ATOM 0 HD2 LYS A 27 95.453 6.703 -4.510 1.00 0.00 H new ATOM 0 HD3 LYS A 27 96.922 5.803 -4.829 1.00 0.00 H new ATOM 0 HE2 LYS A 27 96.492 4.370 -2.822 1.00 0.00 H new ATOM 0 HE3 LYS A 27 95.036 5.281 -2.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 94.533 3.264 -3.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 94.144 4.630 -4.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 95.555 3.747 -4.982 1.00 0.00 H new ATOM 439 N ALA A 28 98.459 11.196 -4.121 1.00 0.00 N ATOM 440 CA ALA A 28 99.117 12.269 -4.871 1.00 0.00 C ATOM 441 C ALA A 28 100.242 12.892 -4.044 1.00 0.00 C ATOM 442 O ALA A 28 101.327 13.156 -4.570 1.00 0.00 O ATOM 443 CB ALA A 28 98.099 13.345 -5.251 1.00 0.00 C ATOM 0 H ALA A 28 97.446 11.291 -4.045 1.00 0.00 H new ATOM 0 HA ALA A 28 99.544 11.842 -5.778 1.00 0.00 H new ATOM 0 HB1 ALA A 28 98.598 14.138 -5.808 1.00 0.00 H new ATOM 0 HB2 ALA A 28 97.317 12.904 -5.869 1.00 0.00 H new ATOM 0 HB3 ALA A 28 97.655 13.761 -4.347 1.00 0.00 H new ATOM 449 N LYS A 29 99.983 13.108 -2.750 1.00 0.00 N ATOM 450 CA LYS A 29 100.994 13.685 -1.859 1.00 0.00 C ATOM 451 C LYS A 29 102.200 12.752 -1.772 1.00 0.00 C ATOM 452 O LYS A 29 103.352 13.198 -1.813 1.00 0.00 O ATOM 453 CB LYS A 29 100.412 13.888 -0.457 1.00 0.00 C ATOM 454 CG LYS A 29 99.338 14.978 -0.491 1.00 0.00 C ATOM 455 CD LYS A 29 98.762 15.168 0.915 1.00 0.00 C ATOM 456 CE LYS A 29 97.703 16.272 0.892 1.00 0.00 C ATOM 457 NZ LYS A 29 97.150 16.459 2.264 1.00 0.00 N ATOM 0 H LYS A 29 99.093 12.895 -2.301 1.00 0.00 H new ATOM 0 HA LYS A 29 101.304 14.649 -2.262 1.00 0.00 H new ATOM 0 HB2 LYS A 29 99.983 12.954 -0.093 1.00 0.00 H new ATOM 0 HB3 LYS A 29 101.204 14.167 0.238 1.00 0.00 H new ATOM 0 HG2 LYS A 29 99.765 15.914 -0.850 1.00 0.00 H new ATOM 0 HG3 LYS A 29 98.545 14.702 -1.186 1.00 0.00 H new ATOM 0 HD2 LYS A 29 98.322 14.235 1.267 1.00 0.00 H new ATOM 0 HD3 LYS A 29 99.558 15.428 1.613 1.00 0.00 H new ATOM 0 HE2 LYS A 29 98.141 17.204 0.535 1.00 0.00 H new ATOM 0 HE3 LYS A 29 96.904 16.010 0.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 96.506 17.275 2.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 96.629 15.605 2.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 97.929 16.628 2.932 1.00 0.00 H new ATOM 471 N ILE A 30 101.916 11.451 -1.663 1.00 0.00 N ATOM 472 CA ILE A 30 102.964 10.439 -1.577 1.00 0.00 C ATOM 473 C ILE A 30 103.790 10.453 -2.862 1.00 0.00 C ATOM 474 O ILE A 30 105.015 10.354 -2.815 1.00 0.00 O ATOM 475 CB ILE A 30 102.340 9.046 -1.351 1.00 0.00 C ATOM 476 CG1 ILE A 30 101.662 9.021 0.028 1.00 0.00 C ATOM 477 CG2 ILE A 30 103.436 7.958 -1.391 1.00 0.00 C ATOM 478 CD1 ILE A 30 100.776 7.774 0.156 1.00 0.00 C ATOM 0 H ILE A 30 100.967 11.077 -1.633 1.00 0.00 H new ATOM 0 HA ILE A 30 103.616 10.663 -0.733 1.00 0.00 H new ATOM 0 HB ILE A 30 101.611 8.848 -2.137 1.00 0.00 H new ATOM 0 HG12 ILE A 30 102.418 9.022 0.814 1.00 0.00 H new ATOM 0 HG13 ILE A 30 101.060 9.920 0.163 1.00 0.00 H new ATOM 0 HG21 ILE A 30 102.983 6.980 -1.230 1.00 0.00 H new ATOM 0 HG22 ILE A 30 103.930 7.974 -2.363 1.00 0.00 H new ATOM 0 HG23 ILE A 30 104.169 8.151 -0.608 1.00 0.00 H new ATOM 0 HD11 ILE A 30 100.300 7.765 1.136 1.00 0.00 H new ATOM 0 HD12 ILE A 30 100.010 7.791 -0.619 1.00 0.00 H new ATOM 0 HD13 ILE A 30 101.388 6.879 0.042 1.00 0.00 H new ATOM 490 N GLN A 31 103.109 10.558 -4.005 1.00 0.00 N ATOM 491 CA GLN A 31 103.786 10.569 -5.305 1.00 0.00 C ATOM 492 C GLN A 31 104.936 11.580 -5.302 1.00 0.00 C ATOM 493 O GLN A 31 105.998 11.316 -5.861 1.00 0.00 O ATOM 494 CB GLN A 31 102.778 10.926 -6.411 1.00 0.00 C ATOM 495 CG GLN A 31 103.462 10.881 -7.788 1.00 0.00 C ATOM 496 CD GLN A 31 102.474 11.270 -8.886 1.00 0.00 C ATOM 497 OE1 GLN A 31 101.691 12.207 -8.724 1.00 0.00 O ATOM 498 NE2 GLN A 31 102.473 10.606 -10.005 1.00 0.00 N ATOM 0 H GLN A 31 102.093 10.636 -4.058 1.00 0.00 H new ATOM 0 HA GLN A 31 104.196 9.577 -5.495 1.00 0.00 H new ATOM 0 HB2 GLN A 31 101.941 10.228 -6.390 1.00 0.00 H new ATOM 0 HB3 GLN A 31 102.368 11.920 -6.233 1.00 0.00 H new ATOM 0 HG2 GLN A 31 104.315 11.560 -7.800 1.00 0.00 H new ATOM 0 HG3 GLN A 31 103.849 9.880 -7.976 1.00 0.00 H new ATOM 0 HE21 GLN A 31 103.122 9.830 -10.138 1.00 0.00 H new ATOM 0 HE22 GLN A 31 101.824 10.861 -10.749 1.00 0.00 H new ATOM 507 N ASP A 32 104.696 12.737 -4.697 1.00 0.00 N ATOM 508 CA ASP A 32 105.709 13.789 -4.636 1.00 0.00 C ATOM 509 C ASP A 32 106.914 13.388 -3.775 1.00 0.00 C ATOM 510 O ASP A 32 108.047 13.761 -4.086 1.00 0.00 O ATOM 511 CB ASP A 32 105.087 15.071 -4.080 1.00 0.00 C ATOM 512 CG ASP A 32 104.419 15.853 -5.207 1.00 0.00 C ATOM 513 OD1 ASP A 32 105.089 16.130 -6.188 1.00 0.00 O ATOM 514 OD2 ASP A 32 103.246 16.159 -5.073 1.00 0.00 O ATOM 0 H ASP A 32 103.813 12.972 -4.243 1.00 0.00 H new ATOM 0 HA ASP A 32 106.070 13.953 -5.651 1.00 0.00 H new ATOM 0 HB2 ASP A 32 104.354 14.827 -3.311 1.00 0.00 H new ATOM 0 HB3 ASP A 32 105.855 15.683 -3.606 1.00 0.00 H new ATOM 519 N LYS A 33 106.662 12.661 -2.681 1.00 0.00 N ATOM 520 CA LYS A 33 107.742 12.254 -1.768 1.00 0.00 C ATOM 521 C LYS A 33 108.507 11.013 -2.231 1.00 0.00 C ATOM 522 O LYS A 33 109.731 10.953 -2.078 1.00 0.00 O ATOM 523 CB LYS A 33 107.180 11.991 -0.369 1.00 0.00 C ATOM 524 CG LYS A 33 106.748 13.312 0.269 1.00 0.00 C ATOM 525 CD LYS A 33 106.178 13.053 1.662 1.00 0.00 C ATOM 526 CE LYS A 33 105.741 14.377 2.286 1.00 0.00 C ATOM 527 NZ LYS A 33 105.200 14.126 3.652 1.00 0.00 N ATOM 0 H LYS A 33 105.732 12.344 -2.406 1.00 0.00 H new ATOM 0 HA LYS A 33 108.448 13.084 -1.757 1.00 0.00 H new ATOM 0 HB2 LYS A 33 106.331 11.310 -0.430 1.00 0.00 H new ATOM 0 HB3 LYS A 33 107.934 11.506 0.251 1.00 0.00 H new ATOM 0 HG2 LYS A 33 107.599 13.990 0.335 1.00 0.00 H new ATOM 0 HG3 LYS A 33 105.999 13.800 -0.355 1.00 0.00 H new ATOM 0 HD2 LYS A 33 105.330 12.371 1.599 1.00 0.00 H new ATOM 0 HD3 LYS A 33 106.928 12.572 2.290 1.00 0.00 H new ATOM 0 HE2 LYS A 33 106.586 15.064 2.338 1.00 0.00 H new ATOM 0 HE3 LYS A 33 104.982 14.852 1.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 104.318 14.662 3.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 105.008 13.110 3.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 105.896 14.430 4.362 1.00 0.00 H new ATOM 541 N GLU A 34 107.789 10.022 -2.759 1.00 0.00 N ATOM 542 CA GLU A 34 108.416 8.775 -3.201 1.00 0.00 C ATOM 543 C GLU A 34 108.602 8.722 -4.717 1.00 0.00 C ATOM 544 O GLU A 34 109.253 7.805 -5.227 1.00 0.00 O ATOM 545 CB GLU A 34 107.554 7.591 -2.754 1.00 0.00 C ATOM 546 CG GLU A 34 107.581 7.469 -1.224 1.00 0.00 C ATOM 547 CD GLU A 34 106.674 6.322 -0.747 1.00 0.00 C ATOM 548 OE1 GLU A 34 106.103 5.627 -1.580 1.00 0.00 O ATOM 549 OE2 GLU A 34 106.563 6.153 0.457 1.00 0.00 O ATOM 0 H GLU A 34 106.778 10.057 -2.891 1.00 0.00 H new ATOM 0 HA GLU A 34 109.406 8.725 -2.748 1.00 0.00 H new ATOM 0 HB2 GLU A 34 106.529 7.727 -3.098 1.00 0.00 H new ATOM 0 HB3 GLU A 34 107.923 6.671 -3.207 1.00 0.00 H new ATOM 0 HG2 GLU A 34 108.603 7.294 -0.887 1.00 0.00 H new ATOM 0 HG3 GLU A 34 107.254 8.407 -0.775 1.00 0.00 H new ATOM 556 N GLY A 35 108.043 9.701 -5.431 1.00 0.00 N ATOM 557 CA GLY A 35 108.166 9.752 -6.882 1.00 0.00 C ATOM 558 C GLY A 35 107.461 8.576 -7.553 1.00 0.00 C ATOM 559 O GLY A 35 107.801 8.221 -8.685 1.00 0.00 O ATOM 0 H GLY A 35 107.503 10.466 -5.026 1.00 0.00 H new ATOM 0 HA2 GLY A 35 107.743 10.687 -7.250 1.00 0.00 H new ATOM 0 HA3 GLY A 35 109.221 9.749 -7.158 1.00 0.00 H new ATOM 563 N ILE A 36 106.489 7.963 -6.856 1.00 0.00 N ATOM 564 CA ILE A 36 105.768 6.814 -7.419 1.00 0.00 C ATOM 565 C ILE A 36 104.314 7.194 -7.775 1.00 0.00 C ATOM 566 O ILE A 36 103.621 7.788 -6.945 1.00 0.00 O ATOM 567 CB ILE A 36 105.777 5.620 -6.446 1.00 0.00 C ATOM 568 CG1 ILE A 36 107.232 5.240 -6.119 1.00 0.00 C ATOM 569 CG2 ILE A 36 105.078 4.412 -7.099 1.00 0.00 C ATOM 570 CD1 ILE A 36 107.271 4.358 -4.869 1.00 0.00 C ATOM 0 H ILE A 36 106.190 8.238 -5.920 1.00 0.00 H new ATOM 0 HA ILE A 36 106.285 6.519 -8.332 1.00 0.00 H new ATOM 0 HB ILE A 36 105.251 5.897 -5.533 1.00 0.00 H new ATOM 0 HG12 ILE A 36 107.677 4.711 -6.962 1.00 0.00 H new ATOM 0 HG13 ILE A 36 107.825 6.140 -5.958 1.00 0.00 H new ATOM 0 HG21 ILE A 36 105.086 3.569 -6.408 1.00 0.00 H new ATOM 0 HG22 ILE A 36 104.048 4.674 -7.339 1.00 0.00 H new ATOM 0 HG23 ILE A 36 105.605 4.137 -8.013 1.00 0.00 H new ATOM 0 HD11 ILE A 36 108.304 4.093 -4.643 1.00 0.00 H new ATOM 0 HD12 ILE A 36 106.843 4.902 -4.027 1.00 0.00 H new ATOM 0 HD13 ILE A 36 106.694 3.451 -5.046 1.00 0.00 H new ATOM 582 N PRO A 37 103.834 6.855 -8.976 1.00 0.00 N ATOM 583 CA PRO A 37 102.439 7.180 -9.395 1.00 0.00 C ATOM 584 C PRO A 37 101.378 6.541 -8.474 1.00 0.00 C ATOM 585 O PRO A 37 101.582 5.426 -7.988 1.00 0.00 O ATOM 586 CB PRO A 37 102.329 6.629 -10.821 1.00 0.00 C ATOM 587 CG PRO A 37 103.432 5.639 -10.956 1.00 0.00 C ATOM 588 CD PRO A 37 104.549 6.141 -10.061 1.00 0.00 C ATOM 0 HA PRO A 37 102.249 8.252 -9.338 1.00 0.00 H new ATOM 0 HB2 PRO A 37 101.359 6.160 -10.986 1.00 0.00 H new ATOM 0 HB3 PRO A 37 102.426 7.427 -11.558 1.00 0.00 H new ATOM 0 HG2 PRO A 37 103.104 4.645 -10.652 1.00 0.00 H new ATOM 0 HG3 PRO A 37 103.765 5.563 -11.991 1.00 0.00 H new ATOM 0 HD2 PRO A 37 105.150 5.319 -9.672 1.00 0.00 H new ATOM 0 HD3 PRO A 37 105.226 6.805 -10.599 1.00 0.00 H new ATOM 596 N PRO A 38 100.255 7.217 -8.223 1.00 0.00 N ATOM 597 CA PRO A 38 99.177 6.678 -7.334 1.00 0.00 C ATOM 598 C PRO A 38 98.694 5.298 -7.776 1.00 0.00 C ATOM 599 O PRO A 38 98.387 4.443 -6.940 1.00 0.00 O ATOM 600 CB PRO A 38 98.044 7.713 -7.445 1.00 0.00 C ATOM 601 CG PRO A 38 98.689 8.973 -7.911 1.00 0.00 C ATOM 602 CD PRO A 38 99.884 8.554 -8.754 1.00 0.00 C ATOM 0 HA PRO A 38 99.533 6.540 -6.313 1.00 0.00 H new ATOM 0 HB2 PRO A 38 97.280 7.382 -8.148 1.00 0.00 H new ATOM 0 HB3 PRO A 38 97.552 7.858 -6.484 1.00 0.00 H new ATOM 0 HG2 PRO A 38 97.992 9.573 -8.496 1.00 0.00 H new ATOM 0 HG3 PRO A 38 99.005 9.584 -7.065 1.00 0.00 H new ATOM 0 HD2 PRO A 38 99.627 8.505 -9.812 1.00 0.00 H new ATOM 0 HD3 PRO A 38 100.707 9.263 -8.658 1.00 0.00 H new ATOM 610 N ASP A 39 98.623 5.092 -9.092 1.00 0.00 N ATOM 611 CA ASP A 39 98.160 3.821 -9.649 1.00 0.00 C ATOM 612 C ASP A 39 98.997 2.645 -9.152 1.00 0.00 C ATOM 613 O ASP A 39 98.449 1.599 -8.796 1.00 0.00 O ATOM 614 CB ASP A 39 98.224 3.872 -11.181 1.00 0.00 C ATOM 615 CG ASP A 39 96.957 4.514 -11.738 1.00 0.00 C ATOM 616 OD1 ASP A 39 97.079 5.362 -12.607 1.00 0.00 O ATOM 617 OD2 ASP A 39 95.882 4.146 -11.291 1.00 0.00 O ATOM 0 H ASP A 39 98.880 5.789 -9.791 1.00 0.00 H new ATOM 0 HA ASP A 39 97.132 3.672 -9.318 1.00 0.00 H new ATOM 0 HB2 ASP A 39 99.098 4.441 -11.497 1.00 0.00 H new ATOM 0 HB3 ASP A 39 98.337 2.865 -11.582 1.00 0.00 H new ATOM 622 N GLN A 40 100.321 2.820 -9.139 1.00 0.00 N ATOM 623 CA GLN A 40 101.227 1.756 -8.694 1.00 0.00 C ATOM 624 C GLN A 40 101.274 1.632 -7.170 1.00 0.00 C ATOM 625 O GLN A 40 101.833 0.668 -6.646 1.00 0.00 O ATOM 626 CB GLN A 40 102.638 2.017 -9.235 1.00 0.00 C ATOM 627 CG GLN A 40 102.811 1.331 -10.600 1.00 0.00 C ATOM 628 CD GLN A 40 104.102 1.777 -11.277 1.00 0.00 C ATOM 629 OE1 GLN A 40 104.888 2.539 -10.708 1.00 0.00 O ATOM 630 NE2 GLN A 40 104.369 1.344 -12.477 1.00 0.00 N ATOM 0 H GLN A 40 100.787 3.680 -9.429 1.00 0.00 H new ATOM 0 HA GLN A 40 100.842 0.815 -9.087 1.00 0.00 H new ATOM 0 HB2 GLN A 40 102.806 3.089 -9.333 1.00 0.00 H new ATOM 0 HB3 GLN A 40 103.382 1.641 -8.532 1.00 0.00 H new ATOM 0 HG2 GLN A 40 102.820 0.249 -10.468 1.00 0.00 H new ATOM 0 HG3 GLN A 40 101.961 1.567 -11.240 1.00 0.00 H new ATOM 0 HE21 GLN A 40 103.720 0.714 -12.948 1.00 0.00 H new ATOM 0 HE22 GLN A 40 105.227 1.635 -12.945 1.00 0.00 H new ATOM 639 N GLN A 41 100.698 2.605 -6.458 1.00 0.00 N ATOM 640 CA GLN A 41 100.696 2.582 -5.000 1.00 0.00 C ATOM 641 C GLN A 41 99.302 2.292 -4.457 1.00 0.00 C ATOM 642 O GLN A 41 98.335 2.981 -4.790 1.00 0.00 O ATOM 643 CB GLN A 41 101.176 3.923 -4.452 1.00 0.00 C ATOM 644 CG GLN A 41 102.648 4.116 -4.810 1.00 0.00 C ATOM 645 CD GLN A 41 103.156 5.428 -4.227 1.00 0.00 C ATOM 646 OE1 GLN A 41 102.648 6.498 -4.563 1.00 0.00 O ATOM 647 NE2 GLN A 41 104.143 5.411 -3.374 1.00 0.00 N ATOM 0 H GLN A 41 100.230 3.413 -6.869 1.00 0.00 H new ATOM 0 HA GLN A 41 101.371 1.788 -4.679 1.00 0.00 H new ATOM 0 HB2 GLN A 41 100.579 4.734 -4.869 1.00 0.00 H new ATOM 0 HB3 GLN A 41 101.046 3.955 -3.370 1.00 0.00 H new ATOM 0 HG2 GLN A 41 103.237 3.284 -4.424 1.00 0.00 H new ATOM 0 HG3 GLN A 41 102.771 4.118 -5.893 1.00 0.00 H new ATOM 0 HE21 GLN A 41 104.562 4.523 -3.097 1.00 0.00 H new ATOM 0 HE22 GLN A 41 104.495 6.285 -2.984 1.00 0.00 H new ATOM 656 N ARG A 42 99.227 1.275 -3.603 1.00 0.00 N ATOM 657 CA ARG A 42 97.971 0.879 -2.978 1.00 0.00 C ATOM 658 C ARG A 42 98.151 0.864 -1.470 1.00 0.00 C ATOM 659 O ARG A 42 99.128 0.305 -0.968 1.00 0.00 O ATOM 660 CB ARG A 42 97.555 -0.513 -3.454 1.00 0.00 C ATOM 661 CG ARG A 42 97.188 -0.456 -4.934 1.00 0.00 C ATOM 662 CD ARG A 42 96.708 -1.830 -5.392 1.00 0.00 C ATOM 663 NE ARG A 42 96.285 -1.762 -6.795 1.00 0.00 N ATOM 664 CZ ARG A 42 95.501 -2.691 -7.370 1.00 0.00 C ATOM 665 NH1 ARG A 42 95.050 -3.726 -6.698 1.00 0.00 N ATOM 666 NH2 ARG A 42 95.177 -2.558 -8.624 1.00 0.00 N ATOM 0 H ARG A 42 100.028 0.707 -3.327 1.00 0.00 H new ATOM 0 HA ARG A 42 97.194 1.591 -3.255 1.00 0.00 H new ATOM 0 HB2 ARG A 42 98.369 -1.221 -3.297 1.00 0.00 H new ATOM 0 HB3 ARG A 42 96.706 -0.870 -2.871 1.00 0.00 H new ATOM 0 HG2 ARG A 42 96.407 0.287 -5.098 1.00 0.00 H new ATOM 0 HG3 ARG A 42 98.052 -0.146 -5.522 1.00 0.00 H new ATOM 0 HD2 ARG A 42 97.507 -2.562 -5.278 1.00 0.00 H new ATOM 0 HD3 ARG A 42 95.879 -2.163 -4.768 1.00 0.00 H new ATOM 0 HE ARG A 42 96.600 -0.974 -7.360 1.00 0.00 H new ATOM 0 HH11 ARG A 42 95.293 -3.840 -5.714 1.00 0.00 H new ATOM 0 HH12 ARG A 42 94.457 -4.415 -7.160 1.00 0.00 H new ATOM 0 HH21 ARG A 42 95.517 -1.757 -9.156 1.00 0.00 H new ATOM 0 HH22 ARG A 42 94.583 -3.255 -9.074 1.00 0.00 H new ATOM 680 N LEU A 43 97.222 1.497 -0.755 1.00 0.00 N ATOM 681 CA LEU A 43 97.299 1.568 0.702 1.00 0.00 C ATOM 682 C LEU A 43 96.279 0.647 1.354 1.00 0.00 C ATOM 683 O LEU A 43 95.098 0.654 0.996 1.00 0.00 O ATOM 684 CB LEU A 43 97.040 3.009 1.156 1.00 0.00 C ATOM 685 CG LEU A 43 98.286 3.874 0.905 1.00 0.00 C ATOM 686 CD1 LEU A 43 97.899 5.355 0.958 1.00 0.00 C ATOM 687 CD2 LEU A 43 99.332 3.591 1.988 1.00 0.00 C ATOM 0 H LEU A 43 96.411 1.966 -1.159 1.00 0.00 H new ATOM 0 HA LEU A 43 98.296 1.249 1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 43 96.187 3.421 0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 43 96.784 3.024 2.216 1.00 0.00 H new ATOM 0 HG LEU A 43 98.698 3.636 -0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 43 98.782 5.968 0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 43 97.152 5.564 0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 43 97.487 5.588 1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 43 100.215 4.204 1.810 1.00 0.00 H new ATOM 0 HD22 LEU A 43 98.916 3.830 2.967 1.00 0.00 H new ATOM 0 HD23 LEU A 43 99.610 2.537 1.959 1.00 0.00 H new ATOM 699 N ILE A 44 96.749 -0.127 2.333 1.00 0.00 N ATOM 700 CA ILE A 44 95.889 -1.040 3.077 1.00 0.00 C ATOM 701 C ILE A 44 95.946 -0.691 4.554 1.00 0.00 C ATOM 702 O ILE A 44 97.009 -0.392 5.103 1.00 0.00 O ATOM 703 CB ILE A 44 96.288 -2.512 2.850 1.00 0.00 C ATOM 704 CG1 ILE A 44 96.092 -2.848 1.360 1.00 0.00 C ATOM 705 CG2 ILE A 44 95.402 -3.442 3.716 1.00 0.00 C ATOM 706 CD1 ILE A 44 96.551 -4.281 1.064 1.00 0.00 C ATOM 0 H ILE A 44 97.725 -0.138 2.628 1.00 0.00 H new ATOM 0 HA ILE A 44 94.868 -0.926 2.714 1.00 0.00 H new ATOM 0 HB ILE A 44 97.330 -2.660 3.134 1.00 0.00 H new ATOM 0 HG12 ILE A 44 95.042 -2.734 1.091 1.00 0.00 H new ATOM 0 HG13 ILE A 44 96.656 -2.146 0.746 1.00 0.00 H new ATOM 0 HG21 ILE A 44 95.691 -4.479 3.549 1.00 0.00 H new ATOM 0 HG22 ILE A 44 95.534 -3.194 4.769 1.00 0.00 H new ATOM 0 HG23 ILE A 44 94.356 -3.308 3.440 1.00 0.00 H new ATOM 0 HD11 ILE A 44 96.404 -4.499 0.006 1.00 0.00 H new ATOM 0 HD12 ILE A 44 97.607 -4.383 1.312 1.00 0.00 H new ATOM 0 HD13 ILE A 44 95.968 -4.981 1.663 1.00 0.00 H new ATOM 718 N PHE A 45 94.780 -0.747 5.174 1.00 0.00 N ATOM 719 CA PHE A 45 94.646 -0.449 6.591 1.00 0.00 C ATOM 720 C PHE A 45 93.758 -1.488 7.262 1.00 0.00 C ATOM 721 O PHE A 45 92.834 -2.001 6.657 1.00 0.00 O ATOM 722 CB PHE A 45 94.054 0.958 6.769 1.00 0.00 C ATOM 723 CG PHE A 45 93.982 1.324 8.242 1.00 0.00 C ATOM 724 CD1 PHE A 45 92.737 1.498 8.863 1.00 0.00 C ATOM 725 CD2 PHE A 45 95.158 1.482 8.985 1.00 0.00 C ATOM 726 CE1 PHE A 45 92.671 1.833 10.218 1.00 0.00 C ATOM 727 CE2 PHE A 45 95.093 1.817 10.341 1.00 0.00 C ATOM 728 CZ PHE A 45 93.848 1.991 10.959 1.00 0.00 C ATOM 0 H PHE A 45 93.905 -0.998 4.714 1.00 0.00 H new ATOM 0 HA PHE A 45 95.629 -0.481 7.060 1.00 0.00 H new ATOM 0 HB2 PHE A 45 94.666 1.686 6.237 1.00 0.00 H new ATOM 0 HB3 PHE A 45 93.057 0.998 6.329 1.00 0.00 H new ATOM 0 HD1 PHE A 45 91.828 1.373 8.293 1.00 0.00 H new ATOM 0 HD2 PHE A 45 96.118 1.345 8.510 1.00 0.00 H new ATOM 0 HE1 PHE A 45 91.711 1.970 10.694 1.00 0.00 H new ATOM 0 HE2 PHE A 45 96.002 1.941 10.911 1.00 0.00 H new ATOM 0 HZ PHE A 45 93.796 2.247 12.007 1.00 0.00 H new ATOM 738 N ALA A 46 94.057 -1.758 8.528 1.00 0.00 N ATOM 739 CA ALA A 46 93.298 -2.727 9.326 1.00 0.00 C ATOM 740 C ALA A 46 93.005 -4.014 8.537 1.00 0.00 C ATOM 741 O ALA A 46 92.042 -4.725 8.832 1.00 0.00 O ATOM 742 CB ALA A 46 91.975 -2.104 9.805 1.00 0.00 C ATOM 0 H ALA A 46 94.827 -1.317 9.032 1.00 0.00 H new ATOM 0 HA ALA A 46 93.913 -2.991 10.187 1.00 0.00 H new ATOM 0 HB1 ALA A 46 91.422 -2.834 10.396 1.00 0.00 H new ATOM 0 HB2 ALA A 46 92.186 -1.227 10.417 1.00 0.00 H new ATOM 0 HB3 ALA A 46 91.378 -1.809 8.942 1.00 0.00 H new ATOM 748 N GLY A 47 93.855 -4.316 7.547 1.00 0.00 N ATOM 749 CA GLY A 47 93.699 -5.530 6.743 1.00 0.00 C ATOM 750 C GLY A 47 92.656 -5.383 5.625 1.00 0.00 C ATOM 751 O GLY A 47 92.053 -6.376 5.214 1.00 0.00 O ATOM 0 H GLY A 47 94.654 -3.738 7.286 1.00 0.00 H new ATOM 0 HA2 GLY A 47 94.661 -5.793 6.302 1.00 0.00 H new ATOM 0 HA3 GLY A 47 93.411 -6.355 7.394 1.00 0.00 H new ATOM 755 N LYS A 48 92.456 -4.155 5.139 1.00 0.00 N ATOM 756 CA LYS A 48 91.488 -3.901 4.062 1.00 0.00 C ATOM 757 C LYS A 48 91.985 -2.787 3.144 1.00 0.00 C ATOM 758 O LYS A 48 92.739 -1.912 3.577 1.00 0.00 O ATOM 759 CB LYS A 48 90.113 -3.531 4.633 1.00 0.00 C ATOM 760 CG LYS A 48 90.237 -2.333 5.584 1.00 0.00 C ATOM 761 CD LYS A 48 88.848 -1.807 5.941 1.00 0.00 C ATOM 762 CE LYS A 48 88.984 -0.598 6.869 1.00 0.00 C ATOM 763 NZ LYS A 48 87.633 -0.063 7.199 1.00 0.00 N ATOM 0 H LYS A 48 92.947 -3.324 5.470 1.00 0.00 H new ATOM 0 HA LYS A 48 91.387 -4.819 3.483 1.00 0.00 H new ATOM 0 HB2 LYS A 48 89.427 -3.290 3.821 1.00 0.00 H new ATOM 0 HB3 LYS A 48 89.691 -4.384 5.164 1.00 0.00 H new ATOM 0 HG2 LYS A 48 90.767 -2.629 6.489 1.00 0.00 H new ATOM 0 HG3 LYS A 48 90.825 -1.544 5.115 1.00 0.00 H new ATOM 0 HD2 LYS A 48 88.310 -1.525 5.036 1.00 0.00 H new ATOM 0 HD3 LYS A 48 88.265 -2.589 6.428 1.00 0.00 H new ATOM 0 HE2 LYS A 48 89.505 -0.885 7.782 1.00 0.00 H new ATOM 0 HE3 LYS A 48 89.585 0.175 6.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 87.729 0.758 7.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 87.151 0.227 6.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 87.074 -0.800 7.674 1.00 0.00 H new ATOM 777 N GLN A 49 91.543 -2.813 1.886 1.00 0.00 N ATOM 778 CA GLN A 49 91.942 -1.796 0.919 1.00 0.00 C ATOM 779 C GLN A 49 91.190 -0.492 1.156 1.00 0.00 C ATOM 780 O GLN A 49 90.006 -0.499 1.497 1.00 0.00 O ATOM 781 CB GLN A 49 91.667 -2.286 -0.503 1.00 0.00 C ATOM 782 CG GLN A 49 92.347 -1.351 -1.507 1.00 0.00 C ATOM 783 CD GLN A 49 93.864 -1.480 -1.391 1.00 0.00 C ATOM 784 OE1 GLN A 49 94.385 -2.590 -1.287 1.00 0.00 O ATOM 785 NE2 GLN A 49 94.602 -0.405 -1.392 1.00 0.00 N ATOM 0 H GLN A 49 90.912 -3.524 1.517 1.00 0.00 H new ATOM 0 HA GLN A 49 93.009 -1.614 1.045 1.00 0.00 H new ATOM 0 HB2 GLN A 49 92.040 -3.303 -0.627 1.00 0.00 H new ATOM 0 HB3 GLN A 49 90.593 -2.316 -0.687 1.00 0.00 H new ATOM 0 HG2 GLN A 49 92.029 -1.597 -2.520 1.00 0.00 H new ATOM 0 HG3 GLN A 49 92.045 -0.320 -1.320 1.00 0.00 H new ATOM 0 HE21 GLN A 49 94.166 0.513 -1.478 1.00 0.00 H new ATOM 0 HE22 GLN A 49 95.615 -0.482 -1.306 1.00 0.00 H new ATOM 794 N LEU A 50 91.899 0.618 0.955 1.00 0.00 N ATOM 795 CA LEU A 50 91.314 1.940 1.133 1.00 0.00 C ATOM 796 C LEU A 50 90.776 2.456 -0.195 1.00 0.00 C ATOM 797 O LEU A 50 91.533 2.671 -1.143 1.00 0.00 O ATOM 798 CB LEU A 50 92.370 2.903 1.680 1.00 0.00 C ATOM 799 CG LEU A 50 92.751 2.499 3.111 1.00 0.00 C ATOM 800 CD1 LEU A 50 94.025 3.235 3.522 1.00 0.00 C ATOM 801 CD2 LEU A 50 91.621 2.877 4.078 1.00 0.00 C ATOM 0 H LEU A 50 92.878 0.625 0.669 1.00 0.00 H new ATOM 0 HA LEU A 50 90.490 1.872 1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 50 93.253 2.890 1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 50 91.985 3.923 1.671 1.00 0.00 H new ATOM 0 HG LEU A 50 92.915 1.422 3.147 1.00 0.00 H new ATOM 0 HD11 LEU A 50 94.298 2.950 4.538 1.00 0.00 H new ATOM 0 HD12 LEU A 50 94.834 2.970 2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 50 93.853 4.311 3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 50 91.898 2.588 5.092 1.00 0.00 H new ATOM 0 HD22 LEU A 50 91.455 3.954 4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 50 90.707 2.359 3.789 1.00 0.00 H new ATOM 813 N GLU A 51 89.459 2.638 -0.247 1.00 0.00 N ATOM 814 CA GLU A 51 88.797 3.114 -1.456 1.00 0.00 C ATOM 815 C GLU A 51 89.176 4.564 -1.739 1.00 0.00 C ATOM 816 O GLU A 51 89.017 5.435 -0.881 1.00 0.00 O ATOM 817 CB GLU A 51 87.279 3.008 -1.295 1.00 0.00 C ATOM 818 CG GLU A 51 86.601 3.124 -2.669 1.00 0.00 C ATOM 819 CD GLU A 51 86.844 1.857 -3.504 1.00 0.00 C ATOM 820 OE1 GLU A 51 86.496 1.865 -4.676 1.00 0.00 O ATOM 821 OE2 GLU A 51 87.362 0.891 -2.963 1.00 0.00 O ATOM 0 H GLU A 51 88.829 2.462 0.536 1.00 0.00 H new ATOM 0 HA GLU A 51 89.120 2.494 -2.292 1.00 0.00 H new ATOM 0 HB2 GLU A 51 87.019 2.057 -0.830 1.00 0.00 H new ATOM 0 HB3 GLU A 51 86.918 3.796 -0.633 1.00 0.00 H new ATOM 0 HG2 GLU A 51 85.530 3.280 -2.539 1.00 0.00 H new ATOM 0 HG3 GLU A 51 86.988 3.994 -3.199 1.00 0.00 H new ATOM 828 N ASP A 52 89.692 4.799 -2.940 1.00 0.00 N ATOM 829 CA ASP A 52 90.120 6.135 -3.351 1.00 0.00 C ATOM 830 C ASP A 52 88.961 7.134 -3.314 1.00 0.00 C ATOM 831 O ASP A 52 89.182 8.333 -3.111 1.00 0.00 O ATOM 832 CB ASP A 52 90.702 6.084 -4.767 1.00 0.00 C ATOM 833 CG ASP A 52 89.720 5.417 -5.730 1.00 0.00 C ATOM 834 OD1 ASP A 52 89.371 4.271 -5.496 1.00 0.00 O ATOM 835 OD2 ASP A 52 89.326 6.066 -6.685 1.00 0.00 O ATOM 0 H ASP A 52 89.825 4.079 -3.650 1.00 0.00 H new ATOM 0 HA ASP A 52 90.882 6.470 -2.647 1.00 0.00 H new ATOM 0 HB2 ASP A 52 90.926 7.094 -5.110 1.00 0.00 H new ATOM 0 HB3 ASP A 52 91.643 5.533 -4.759 1.00 0.00 H new ATOM 840 N GLY A 53 87.739 6.633 -3.515 1.00 0.00 N ATOM 841 CA GLY A 53 86.545 7.483 -3.521 1.00 0.00 C ATOM 842 C GLY A 53 85.990 7.744 -2.115 1.00 0.00 C ATOM 843 O GLY A 53 84.933 8.367 -1.976 1.00 0.00 O ATOM 0 H GLY A 53 87.550 5.644 -3.676 1.00 0.00 H new ATOM 0 HA2 GLY A 53 86.786 8.435 -3.993 1.00 0.00 H new ATOM 0 HA3 GLY A 53 85.773 7.012 -4.129 1.00 0.00 H new ATOM 847 N ARG A 54 86.704 7.276 -1.084 1.00 0.00 N ATOM 848 CA ARG A 54 86.278 7.473 0.299 1.00 0.00 C ATOM 849 C ARG A 54 87.270 8.341 1.055 1.00 0.00 C ATOM 850 O ARG A 54 88.436 8.440 0.666 1.00 0.00 O ATOM 851 CB ARG A 54 86.123 6.128 1.008 1.00 0.00 C ATOM 852 CG ARG A 54 84.821 5.455 0.551 1.00 0.00 C ATOM 853 CD ARG A 54 84.327 4.500 1.635 1.00 0.00 C ATOM 854 NE ARG A 54 85.189 3.318 1.699 1.00 0.00 N ATOM 855 CZ ARG A 54 84.993 2.237 0.926 1.00 0.00 C ATOM 856 NH1 ARG A 54 84.008 2.180 0.056 1.00 0.00 N ATOM 857 NH2 ARG A 54 85.799 1.219 1.040 1.00 0.00 N ATOM 0 H ARG A 54 87.578 6.759 -1.185 1.00 0.00 H new ATOM 0 HA ARG A 54 85.314 7.981 0.282 1.00 0.00 H new ATOM 0 HB2 ARG A 54 86.975 5.486 0.783 1.00 0.00 H new ATOM 0 HB3 ARG A 54 86.110 6.274 2.088 1.00 0.00 H new ATOM 0 HG2 ARG A 54 84.063 6.210 0.345 1.00 0.00 H new ATOM 0 HG3 ARG A 54 84.989 4.910 -0.378 1.00 0.00 H new ATOM 0 HD2 ARG A 54 84.320 5.006 2.600 1.00 0.00 H new ATOM 0 HD3 ARG A 54 83.301 4.200 1.425 1.00 0.00 H new ATOM 0 HE ARG A 54 85.969 3.315 2.356 1.00 0.00 H new ATOM 0 HH11 ARG A 54 83.370 2.969 -0.044 1.00 0.00 H new ATOM 0 HH12 ARG A 54 83.882 1.346 -0.518 1.00 0.00 H new ATOM 0 HH21 ARG A 54 86.567 1.249 1.710 1.00 0.00 H new ATOM 0 HH22 ARG A 54 85.661 0.392 0.459 1.00 0.00 H new ATOM 871 N THR A 55 86.789 8.968 2.130 1.00 0.00 N ATOM 872 CA THR A 55 87.632 9.845 2.939 1.00 0.00 C ATOM 873 C THR A 55 88.207 9.101 4.138 1.00 0.00 C ATOM 874 O THR A 55 87.719 8.033 4.514 1.00 0.00 O ATOM 875 CB THR A 55 86.832 11.060 3.419 1.00 0.00 C ATOM 876 OG1 THR A 55 85.637 10.621 4.046 1.00 0.00 O ATOM 877 CG2 THR A 55 86.483 11.960 2.226 1.00 0.00 C ATOM 0 H THR A 55 85.827 8.885 2.458 1.00 0.00 H new ATOM 0 HA THR A 55 88.458 10.183 2.314 1.00 0.00 H new ATOM 0 HB THR A 55 87.432 11.626 4.131 1.00 0.00 H new ATOM 0 HG1 THR A 55 85.095 10.120 3.402 1.00 0.00 H new ATOM 0 HG21 THR A 55 85.914 12.822 2.575 1.00 0.00 H new ATOM 0 HG22 THR A 55 87.401 12.301 1.747 1.00 0.00 H new ATOM 0 HG23 THR A 55 85.886 11.397 1.508 1.00 0.00 H new ATOM 885 N LEU A 56 89.261 9.675 4.713 1.00 0.00 N ATOM 886 CA LEU A 56 89.937 9.076 5.859 1.00 0.00 C ATOM 887 C LEU A 56 88.998 8.968 7.058 1.00 0.00 C ATOM 888 O LEU A 56 88.997 7.950 7.757 1.00 0.00 O ATOM 889 CB LEU A 56 91.161 9.919 6.240 1.00 0.00 C ATOM 890 CG LEU A 56 92.227 9.826 5.136 1.00 0.00 C ATOM 891 CD1 LEU A 56 93.282 10.912 5.351 1.00 0.00 C ATOM 892 CD2 LEU A 56 92.912 8.452 5.184 1.00 0.00 C ATOM 0 H LEU A 56 89.666 10.558 4.402 1.00 0.00 H new ATOM 0 HA LEU A 56 90.254 8.071 5.579 1.00 0.00 H new ATOM 0 HB2 LEU A 56 90.866 10.958 6.386 1.00 0.00 H new ATOM 0 HB3 LEU A 56 91.574 9.569 7.186 1.00 0.00 H new ATOM 0 HG LEU A 56 91.745 9.961 4.167 1.00 0.00 H new ATOM 0 HD11 LEU A 56 94.037 10.846 4.568 1.00 0.00 H new ATOM 0 HD12 LEU A 56 92.807 11.893 5.315 1.00 0.00 H new ATOM 0 HD13 LEU A 56 93.754 10.773 6.324 1.00 0.00 H new ATOM 0 HD21 LEU A 56 93.666 8.394 4.399 1.00 0.00 H new ATOM 0 HD22 LEU A 56 93.388 8.317 6.155 1.00 0.00 H new ATOM 0 HD23 LEU A 56 92.169 7.669 5.032 1.00 0.00 H new ATOM 904 N SER A 57 88.202 10.013 7.290 1.00 0.00 N ATOM 905 CA SER A 57 87.261 10.016 8.412 1.00 0.00 C ATOM 906 C SER A 57 86.302 8.828 8.321 1.00 0.00 C ATOM 907 O SER A 57 85.878 8.284 9.344 1.00 0.00 O ATOM 908 CB SER A 57 86.457 11.317 8.425 1.00 0.00 C ATOM 909 OG SER A 57 87.299 12.385 8.837 1.00 0.00 O ATOM 0 H SER A 57 88.189 10.860 6.722 1.00 0.00 H new ATOM 0 HA SER A 57 87.837 9.935 9.334 1.00 0.00 H new ATOM 0 HB2 SER A 57 86.054 11.519 7.433 1.00 0.00 H new ATOM 0 HB3 SER A 57 85.608 11.226 9.102 1.00 0.00 H new ATOM 0 HG SER A 57 86.787 13.221 8.845 1.00 0.00 H new ATOM 915 N ASP A 58 85.974 8.435 7.088 1.00 0.00 N ATOM 916 CA ASP A 58 85.066 7.312 6.853 1.00 0.00 C ATOM 917 C ASP A 58 85.705 5.971 7.230 1.00 0.00 C ATOM 918 O ASP A 58 85.017 4.948 7.269 1.00 0.00 O ATOM 919 CB ASP A 58 84.651 7.283 5.380 1.00 0.00 C ATOM 920 CG ASP A 58 83.784 8.501 5.036 1.00 0.00 C ATOM 921 OD1 ASP A 58 83.122 9.022 5.925 1.00 0.00 O ATOM 922 OD2 ASP A 58 83.793 8.895 3.882 1.00 0.00 O ATOM 0 H ASP A 58 86.324 8.878 6.238 1.00 0.00 H new ATOM 0 HA ASP A 58 84.191 7.456 7.487 1.00 0.00 H new ATOM 0 HB2 ASP A 58 85.539 7.272 4.747 1.00 0.00 H new ATOM 0 HB3 ASP A 58 84.099 6.367 5.171 1.00 0.00 H new ATOM 927 N TYR A 59 87.015 5.982 7.502 1.00 0.00 N ATOM 928 CA TYR A 59 87.731 4.760 7.867 1.00 0.00 C ATOM 929 C TYR A 59 88.055 4.702 9.359 1.00 0.00 C ATOM 930 O TYR A 59 88.775 3.798 9.792 1.00 0.00 O ATOM 931 CB TYR A 59 89.034 4.654 7.062 1.00 0.00 C ATOM 932 CG TYR A 59 88.727 4.387 5.606 1.00 0.00 C ATOM 933 CD1 TYR A 59 88.367 3.100 5.196 1.00 0.00 C ATOM 934 CD2 TYR A 59 88.805 5.424 4.666 1.00 0.00 C ATOM 935 CE1 TYR A 59 88.088 2.848 3.851 1.00 0.00 C ATOM 936 CE2 TYR A 59 88.527 5.171 3.319 1.00 0.00 C ATOM 937 CZ TYR A 59 88.166 3.883 2.913 1.00 0.00 C ATOM 938 OH TYR A 59 87.890 3.631 1.586 1.00 0.00 O ATOM 0 H TYR A 59 87.596 6.820 7.476 1.00 0.00 H new ATOM 0 HA TYR A 59 87.074 3.922 7.634 1.00 0.00 H new ATOM 0 HB2 TYR A 59 89.605 5.577 7.157 1.00 0.00 H new ATOM 0 HB3 TYR A 59 89.654 3.853 7.464 1.00 0.00 H new ATOM 0 HD1 TYR A 59 88.305 2.301 5.919 1.00 0.00 H new ATOM 0 HD2 TYR A 59 89.080 6.419 4.982 1.00 0.00 H new ATOM 0 HE1 TYR A 59 87.812 1.853 3.535 1.00 0.00 H new ATOM 0 HE2 TYR A 59 88.591 5.969 2.594 1.00 0.00 H new ATOM 0 HH TYR A 59 88.352 4.288 1.025 1.00 0.00 H new ATOM 948 N ASN A 60 87.527 5.647 10.150 1.00 0.00 N ATOM 949 CA ASN A 60 87.778 5.657 11.590 1.00 0.00 C ATOM 950 C ASN A 60 89.282 5.703 11.877 1.00 0.00 C ATOM 951 O ASN A 60 89.778 5.044 12.799 1.00 0.00 O ATOM 952 CB ASN A 60 87.141 4.416 12.235 1.00 0.00 C ATOM 953 CG ASN A 60 85.625 4.454 12.067 1.00 0.00 C ATOM 954 OD1 ASN A 60 85.028 3.492 11.580 1.00 0.00 O ATOM 955 ND2 ASN A 60 84.962 5.514 12.443 1.00 0.00 N ATOM 0 H ASN A 60 86.930 6.405 9.818 1.00 0.00 H new ATOM 0 HA ASN A 60 87.327 6.551 12.021 1.00 0.00 H new ATOM 0 HB2 ASN A 60 87.542 3.512 11.776 1.00 0.00 H new ATOM 0 HB3 ASN A 60 87.396 4.376 13.294 1.00 0.00 H new ATOM 0 HD21 ASN A 60 83.948 5.547 12.334 1.00 0.00 H new ATOM 0 HD22 ASN A 60 85.458 6.309 12.846 1.00 0.00 H new ATOM 962 N ILE A 61 89.999 6.497 11.080 1.00 0.00 N ATOM 963 CA ILE A 61 91.445 6.644 11.246 1.00 0.00 C ATOM 964 C ILE A 61 91.718 7.856 12.132 1.00 0.00 C ATOM 965 O ILE A 61 91.275 8.966 11.828 1.00 0.00 O ATOM 966 CB ILE A 61 92.129 6.823 9.873 1.00 0.00 C ATOM 967 CG1 ILE A 61 91.830 5.604 8.979 1.00 0.00 C ATOM 968 CG2 ILE A 61 93.652 6.948 10.061 1.00 0.00 C ATOM 969 CD1 ILE A 61 92.198 5.918 7.523 1.00 0.00 C ATOM 0 H ILE A 61 89.604 7.046 10.316 1.00 0.00 H new ATOM 0 HA ILE A 61 91.851 5.747 11.713 1.00 0.00 H new ATOM 0 HB ILE A 61 91.743 7.727 9.401 1.00 0.00 H new ATOM 0 HG12 ILE A 61 92.396 4.740 9.327 1.00 0.00 H new ATOM 0 HG13 ILE A 61 90.774 5.343 9.048 1.00 0.00 H new ATOM 0 HG21 ILE A 61 94.129 7.074 9.089 1.00 0.00 H new ATOM 0 HG22 ILE A 61 93.871 7.812 10.688 1.00 0.00 H new ATOM 0 HG23 ILE A 61 94.035 6.046 10.539 1.00 0.00 H new ATOM 0 HD11 ILE A 61 91.983 5.051 6.898 1.00 0.00 H new ATOM 0 HD12 ILE A 61 91.613 6.769 7.175 1.00 0.00 H new ATOM 0 HD13 ILE A 61 93.260 6.157 7.459 1.00 0.00 H new ATOM 981 N GLN A 62 92.437 7.626 13.227 1.00 0.00 N ATOM 982 CA GLN A 62 92.760 8.694 14.168 1.00 0.00 C ATOM 983 C GLN A 62 94.139 9.287 13.872 1.00 0.00 C ATOM 984 O GLN A 62 94.809 8.887 12.916 1.00 0.00 O ATOM 985 CB GLN A 62 92.713 8.144 15.601 1.00 0.00 C ATOM 986 CG GLN A 62 91.267 7.791 15.965 1.00 0.00 C ATOM 987 CD GLN A 62 91.211 7.113 17.332 1.00 0.00 C ATOM 988 OE1 GLN A 62 91.812 7.593 18.293 1.00 0.00 O ATOM 989 NE2 GLN A 62 90.517 6.015 17.475 1.00 0.00 N ATOM 0 H GLN A 62 92.807 6.711 13.484 1.00 0.00 H new ATOM 0 HA GLN A 62 92.024 9.490 14.060 1.00 0.00 H new ATOM 0 HB2 GLN A 62 93.346 7.261 15.684 1.00 0.00 H new ATOM 0 HB3 GLN A 62 93.105 8.884 16.299 1.00 0.00 H new ATOM 0 HG2 GLN A 62 90.657 8.694 15.975 1.00 0.00 H new ATOM 0 HG3 GLN A 62 90.846 7.131 15.207 1.00 0.00 H new ATOM 0 HE21 GLN A 62 90.020 5.619 16.678 1.00 0.00 H new ATOM 0 HE22 GLN A 62 90.473 5.554 18.384 1.00 0.00 H new ATOM 998 N LYS A 63 94.545 10.238 14.711 1.00 0.00 N ATOM 999 CA LYS A 63 95.836 10.903 14.574 1.00 0.00 C ATOM 1000 C LYS A 63 96.983 9.917 14.741 1.00 0.00 C ATOM 1001 O LYS A 63 96.937 9.039 15.606 1.00 0.00 O ATOM 1002 CB LYS A 63 95.952 11.996 15.634 1.00 0.00 C ATOM 1003 CG LYS A 63 94.981 13.128 15.299 1.00 0.00 C ATOM 1004 CD LYS A 63 95.118 14.246 16.333 1.00 0.00 C ATOM 1005 CE LYS A 63 94.175 15.395 15.966 1.00 0.00 C ATOM 1006 NZ LYS A 63 94.307 16.490 16.972 1.00 0.00 N ATOM 0 H LYS A 63 93.990 10.567 15.501 1.00 0.00 H new ATOM 0 HA LYS A 63 95.898 11.335 13.575 1.00 0.00 H new ATOM 0 HB2 LYS A 63 95.727 11.588 16.620 1.00 0.00 H new ATOM 0 HB3 LYS A 63 96.973 12.376 15.671 1.00 0.00 H new ATOM 0 HG2 LYS A 63 95.188 13.515 14.301 1.00 0.00 H new ATOM 0 HG3 LYS A 63 93.958 12.752 15.289 1.00 0.00 H new ATOM 0 HD2 LYS A 63 94.879 13.868 17.327 1.00 0.00 H new ATOM 0 HD3 LYS A 63 96.148 14.602 16.366 1.00 0.00 H new ATOM 0 HE2 LYS A 63 94.413 15.771 14.971 1.00 0.00 H new ATOM 0 HE3 LYS A 63 93.145 15.038 15.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 93.666 17.270 16.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 94.059 16.127 17.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 95.287 16.837 16.981 1.00 0.00 H new ATOM 1020 N GLU A 64 98.008 10.073 13.902 1.00 0.00 N ATOM 1021 CA GLU A 64 99.179 9.200 13.943 1.00 0.00 C ATOM 1022 C GLU A 64 98.773 7.735 13.794 1.00 0.00 C ATOM 1023 O GLU A 64 98.461 7.055 14.776 1.00 0.00 O ATOM 1024 CB GLU A 64 99.943 9.411 15.249 1.00 0.00 C ATOM 1025 CG GLU A 64 100.626 10.794 15.246 1.00 0.00 C ATOM 1026 CD GLU A 64 101.335 11.058 16.588 1.00 0.00 C ATOM 1027 OE1 GLU A 64 101.892 12.135 16.745 1.00 0.00 O ATOM 1028 OE2 GLU A 64 101.316 10.183 17.441 1.00 0.00 O ATOM 0 H GLU A 64 98.050 10.797 13.185 1.00 0.00 H new ATOM 0 HA GLU A 64 99.829 9.456 13.107 1.00 0.00 H new ATOM 0 HB2 GLU A 64 99.260 9.336 16.095 1.00 0.00 H new ATOM 0 HB3 GLU A 64 100.691 8.628 15.373 1.00 0.00 H new ATOM 0 HG2 GLU A 64 101.349 10.846 14.432 1.00 0.00 H new ATOM 0 HG3 GLU A 64 99.883 11.571 15.063 1.00 0.00 H new ATOM 1035 N SER A 65 98.789 7.264 12.550 1.00 0.00 N ATOM 1036 CA SER A 65 98.432 5.883 12.243 1.00 0.00 C ATOM 1037 C SER A 65 99.439 5.297 11.263 1.00 0.00 C ATOM 1038 O SER A 65 100.016 6.029 10.454 1.00 0.00 O ATOM 1039 CB SER A 65 97.026 5.823 11.644 1.00 0.00 C ATOM 1040 OG SER A 65 96.662 4.464 11.439 1.00 0.00 O ATOM 0 H SER A 65 99.047 7.821 11.736 1.00 0.00 H new ATOM 0 HA SER A 65 98.447 5.300 13.164 1.00 0.00 H new ATOM 0 HB2 SER A 65 96.313 6.306 12.312 1.00 0.00 H new ATOM 0 HB3 SER A 65 96.997 6.366 10.699 1.00 0.00 H new ATOM 0 HG SER A 65 95.761 4.421 11.057 1.00 0.00 H new ATOM 1046 N THR A 66 99.652 3.982 11.346 1.00 0.00 N ATOM 1047 CA THR A 66 100.602 3.315 10.459 1.00 0.00 C ATOM 1048 C THR A 66 99.871 2.588 9.334 1.00 0.00 C ATOM 1049 O THR A 66 99.176 1.598 9.568 1.00 0.00 O ATOM 1050 CB THR A 66 101.445 2.315 11.256 1.00 0.00 C ATOM 1051 OG1 THR A 66 101.955 2.955 12.418 1.00 0.00 O ATOM 1052 CG2 THR A 66 102.611 1.825 10.394 1.00 0.00 C ATOM 0 H THR A 66 99.185 3.366 12.011 1.00 0.00 H new ATOM 0 HA THR A 66 101.253 4.071 10.020 1.00 0.00 H new ATOM 0 HB THR A 66 100.826 1.465 11.545 1.00 0.00 H new ATOM 0 HG1 THR A 66 102.494 2.318 12.932 1.00 0.00 H new ATOM 0 HG21 THR A 66 103.210 1.114 10.963 1.00 0.00 H new ATOM 0 HG22 THR A 66 102.223 1.339 9.499 1.00 0.00 H new ATOM 0 HG23 THR A 66 103.232 2.673 10.106 1.00 0.00 H new ATOM 1060 N LEU A 67 100.046 3.097 8.116 1.00 0.00 N ATOM 1061 CA LEU A 67 99.414 2.512 6.937 1.00 0.00 C ATOM 1062 C LEU A 67 100.394 1.609 6.202 1.00 0.00 C ATOM 1063 O LEU A 67 101.602 1.850 6.219 1.00 0.00 O ATOM 1064 CB LEU A 67 98.942 3.622 5.995 1.00 0.00 C ATOM 1065 CG LEU A 67 97.800 4.415 6.642 1.00 0.00 C ATOM 1066 CD1 LEU A 67 97.586 5.724 5.877 1.00 0.00 C ATOM 1067 CD2 LEU A 67 96.505 3.597 6.594 1.00 0.00 C ATOM 0 H LEU A 67 100.622 3.916 7.920 1.00 0.00 H new ATOM 0 HA LEU A 67 98.559 1.919 7.261 1.00 0.00 H new ATOM 0 HB2 LEU A 67 99.772 4.289 5.763 1.00 0.00 H new ATOM 0 HB3 LEU A 67 98.606 3.191 5.052 1.00 0.00 H new ATOM 0 HG LEU A 67 98.061 4.628 7.679 1.00 0.00 H new ATOM 0 HD11 LEU A 67 96.774 6.286 6.338 1.00 0.00 H new ATOM 0 HD12 LEU A 67 98.500 6.317 5.907 1.00 0.00 H new ATOM 0 HD13 LEU A 67 97.331 5.502 4.841 1.00 0.00 H new ATOM 0 HD21 LEU A 67 95.698 4.166 7.055 1.00 0.00 H new ATOM 0 HD22 LEU A 67 96.250 3.381 5.557 1.00 0.00 H new ATOM 0 HD23 LEU A 67 96.645 2.662 7.136 1.00 0.00 H new ATOM 1079 N HIS A 68 99.860 0.579 5.549 1.00 0.00 N ATOM 1080 CA HIS A 68 100.686 -0.357 4.794 1.00 0.00 C ATOM 1081 C HIS A 68 100.645 -0.012 3.313 1.00 0.00 C ATOM 1082 O HIS A 68 99.569 0.063 2.716 1.00 0.00 O ATOM 1083 CB HIS A 68 100.190 -1.789 4.998 1.00 0.00 C ATOM 1084 CG HIS A 68 100.450 -2.207 6.418 1.00 0.00 C ATOM 1085 ND1 HIS A 68 101.733 -2.362 6.916 1.00 0.00 N ATOM 1086 CD2 HIS A 68 99.605 -2.507 7.457 1.00 0.00 C ATOM 1087 CE1 HIS A 68 101.627 -2.740 8.202 1.00 0.00 C ATOM 1088 NE2 HIS A 68 100.351 -2.844 8.584 1.00 0.00 N ATOM 0 H HIS A 68 98.861 0.373 5.528 1.00 0.00 H new ATOM 0 HA HIS A 68 101.712 -0.281 5.155 1.00 0.00 H new ATOM 0 HB2 HIS A 68 99.124 -1.852 4.778 1.00 0.00 H new ATOM 0 HB3 HIS A 68 100.698 -2.464 4.309 1.00 0.00 H new ATOM 0 HD2 HIS A 68 98.526 -2.485 7.408 1.00 0.00 H new ATOM 0 HE1 HIS A 68 102.471 -2.936 8.847 1.00 0.00 H new ATOM 0 HE2 HIS A 68 99.999 -3.112 9.503 1.00 0.00 H new ATOM 1096 N LEU A 69 101.824 0.200 2.732 1.00 0.00 N ATOM 1097 CA LEU A 69 101.927 0.544 1.319 1.00 0.00 C ATOM 1098 C LEU A 69 102.468 -0.637 0.529 1.00 0.00 C ATOM 1099 O LEU A 69 103.452 -1.264 0.929 1.00 0.00 O ATOM 1100 CB LEU A 69 102.861 1.744 1.122 1.00 0.00 C ATOM 1101 CG LEU A 69 102.717 2.279 -0.313 1.00 0.00 C ATOM 1102 CD1 LEU A 69 101.430 3.098 -0.427 1.00 0.00 C ATOM 1103 CD2 LEU A 69 103.916 3.167 -0.661 1.00 0.00 C ATOM 0 H LEU A 69 102.719 0.139 3.218 1.00 0.00 H new ATOM 0 HA LEU A 69 100.930 0.801 0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 69 102.619 2.528 1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 69 103.893 1.449 1.309 1.00 0.00 H new ATOM 0 HG LEU A 69 102.679 1.438 -1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 69 101.329 3.477 -1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 69 100.574 2.466 -0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 69 101.469 3.935 0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 69 103.808 3.542 -1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 69 103.960 4.007 0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 69 104.834 2.585 -0.585 1.00 0.00 H new ATOM 1115 N VAL A 70 101.823 -0.921 -0.598 1.00 0.00 N ATOM 1116 CA VAL A 70 102.235 -2.014 -1.472 1.00 0.00 C ATOM 1117 C VAL A 70 102.409 -1.442 -2.875 1.00 0.00 C ATOM 1118 O VAL A 70 101.712 -0.491 -3.240 1.00 0.00 O ATOM 1119 CB VAL A 70 101.168 -3.128 -1.484 1.00 0.00 C ATOM 1120 CG1 VAL A 70 101.671 -4.322 -2.307 1.00 0.00 C ATOM 1121 CG2 VAL A 70 100.870 -3.594 -0.049 1.00 0.00 C ATOM 0 H VAL A 70 101.008 -0.405 -0.929 1.00 0.00 H new ATOM 0 HA VAL A 70 103.168 -2.450 -1.115 1.00 0.00 H new ATOM 0 HB VAL A 70 100.256 -2.732 -1.931 1.00 0.00 H new ATOM 0 HG11 VAL A 70 100.913 -5.106 -2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 70 101.868 -4.002 -3.330 1.00 0.00 H new ATOM 0 HG13 VAL A 70 102.589 -4.708 -1.864 1.00 0.00 H new ATOM 0 HG21 VAL A 70 100.115 -4.380 -0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 70 101.783 -3.980 0.405 1.00 0.00 H new ATOM 0 HG23 VAL A 70 100.500 -2.753 0.537 1.00 0.00 H new ATOM 1131 N LEU A 71 103.330 -2.009 -3.654 1.00 0.00 N ATOM 1132 CA LEU A 71 103.569 -1.525 -5.014 1.00 0.00 C ATOM 1133 C LEU A 71 103.041 -2.525 -6.029 1.00 0.00 C ATOM 1134 O LEU A 71 103.356 -3.717 -5.960 1.00 0.00 O ATOM 1135 CB LEU A 71 105.068 -1.299 -5.247 1.00 0.00 C ATOM 1136 CG LEU A 71 105.278 -0.532 -6.566 1.00 0.00 C ATOM 1137 CD1 LEU A 71 104.978 0.956 -6.353 1.00 0.00 C ATOM 1138 CD2 LEU A 71 106.728 -0.691 -7.030 1.00 0.00 C ATOM 0 H LEU A 71 103.916 -2.794 -3.372 1.00 0.00 H new ATOM 0 HA LEU A 71 103.044 -0.578 -5.137 1.00 0.00 H new ATOM 0 HB2 LEU A 71 105.494 -0.737 -4.416 1.00 0.00 H new ATOM 0 HB3 LEU A 71 105.588 -2.256 -5.285 1.00 0.00 H new ATOM 0 HG LEU A 71 104.605 -0.935 -7.323 1.00 0.00 H new ATOM 0 HD11 LEU A 71 105.128 1.495 -7.289 1.00 0.00 H new ATOM 0 HD12 LEU A 71 103.945 1.076 -6.027 1.00 0.00 H new ATOM 0 HD13 LEU A 71 105.648 1.357 -5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 71 106.873 -0.147 -7.963 1.00 0.00 H new ATOM 0 HD22 LEU A 71 107.399 -0.292 -6.269 1.00 0.00 H new ATOM 0 HD23 LEU A 71 106.946 -1.747 -7.188 1.00 0.00 H new ATOM 1150 N ARG A 72 102.242 -2.032 -6.978 1.00 0.00 N ATOM 1151 CA ARG A 72 101.677 -2.878 -8.014 1.00 0.00 C ATOM 1152 C ARG A 72 102.451 -2.691 -9.320 1.00 0.00 C ATOM 1153 O ARG A 72 102.079 -1.877 -10.174 1.00 0.00 O ATOM 1154 CB ARG A 72 100.202 -2.529 -8.225 1.00 0.00 C ATOM 1155 CG ARG A 72 99.565 -3.556 -9.165 1.00 0.00 C ATOM 1156 CD ARG A 72 98.197 -3.060 -9.605 1.00 0.00 C ATOM 1157 NE ARG A 72 98.345 -1.945 -10.548 1.00 0.00 N ATOM 1158 CZ ARG A 72 97.343 -1.532 -11.348 1.00 0.00 C ATOM 1159 NH1 ARG A 72 96.164 -2.108 -11.328 1.00 0.00 N ATOM 1160 NH2 ARG A 72 97.552 -0.538 -12.167 1.00 0.00 N ATOM 0 H ARG A 72 101.976 -1.050 -7.044 1.00 0.00 H new ATOM 0 HA ARG A 72 101.754 -3.920 -7.703 1.00 0.00 H new ATOM 0 HB2 ARG A 72 99.679 -2.521 -7.269 1.00 0.00 H new ATOM 0 HB3 ARG A 72 100.111 -1.528 -8.647 1.00 0.00 H new ATOM 0 HG2 ARG A 72 100.203 -3.714 -10.034 1.00 0.00 H new ATOM 0 HG3 ARG A 72 99.470 -4.517 -8.660 1.00 0.00 H new ATOM 0 HD2 ARG A 72 97.641 -3.872 -10.074 1.00 0.00 H new ATOM 0 HD3 ARG A 72 97.621 -2.739 -8.737 1.00 0.00 H new ATOM 0 HE ARG A 72 99.243 -1.463 -10.600 1.00 0.00 H new ATOM 0 HH11 ARG A 72 95.989 -2.889 -10.696 1.00 0.00 H new ATOM 0 HH12 ARG A 72 95.423 -1.775 -11.945 1.00 0.00 H new ATOM 0 HH21 ARG A 72 98.465 -0.084 -12.196 1.00 0.00 H new ATOM 0 HH22 ARG A 72 96.802 -0.215 -12.779 1.00 0.00 H new ATOM 1174 N LEU A 73 103.525 -3.459 -9.474 1.00 0.00 N ATOM 1175 CA LEU A 73 104.352 -3.392 -10.667 1.00 0.00 C ATOM 1176 C LEU A 73 104.393 -4.748 -11.361 1.00 0.00 C ATOM 1177 O LEU A 73 104.608 -5.778 -10.718 1.00 0.00 O ATOM 1178 CB LEU A 73 105.778 -2.960 -10.299 1.00 0.00 C ATOM 1179 CG LEU A 73 106.593 -2.698 -11.572 1.00 0.00 C ATOM 1180 CD1 LEU A 73 106.152 -1.374 -12.202 1.00 0.00 C ATOM 1181 CD2 LEU A 73 108.082 -2.623 -11.231 1.00 0.00 C ATOM 0 H LEU A 73 103.842 -4.138 -8.781 1.00 0.00 H new ATOM 0 HA LEU A 73 103.918 -2.658 -11.346 1.00 0.00 H new ATOM 0 HB2 LEU A 73 105.747 -2.059 -9.686 1.00 0.00 H new ATOM 0 HB3 LEU A 73 106.259 -3.735 -9.703 1.00 0.00 H new ATOM 0 HG LEU A 73 106.424 -3.513 -12.276 1.00 0.00 H new ATOM 0 HD11 LEU A 73 106.732 -1.190 -13.106 1.00 0.00 H new ATOM 0 HD12 LEU A 73 105.093 -1.426 -12.455 1.00 0.00 H new ATOM 0 HD13 LEU A 73 106.316 -0.562 -11.494 1.00 0.00 H new ATOM 0 HD21 LEU A 73 108.654 -2.437 -12.140 1.00 0.00 H new ATOM 0 HD22 LEU A 73 108.253 -1.813 -10.522 1.00 0.00 H new ATOM 0 HD23 LEU A 73 108.402 -3.566 -10.788 1.00 0.00 H new ATOM 1193 N ARG A 74 104.196 -4.733 -12.678 1.00 0.00 N ATOM 1194 CA ARG A 74 104.220 -5.958 -13.467 1.00 0.00 C ATOM 1195 C ARG A 74 105.602 -6.170 -14.071 1.00 0.00 C ATOM 1196 O ARG A 74 106.308 -5.205 -14.372 1.00 0.00 O ATOM 1197 CB ARG A 74 103.169 -5.885 -14.582 1.00 0.00 C ATOM 1198 CG ARG A 74 101.767 -5.793 -13.969 1.00 0.00 C ATOM 1199 CD ARG A 74 101.350 -7.159 -13.422 1.00 0.00 C ATOM 1200 NE ARG A 74 99.994 -7.084 -12.873 1.00 0.00 N ATOM 1201 CZ ARG A 74 99.742 -6.821 -11.577 1.00 0.00 C ATOM 1202 NH1 ARG A 74 100.709 -6.615 -10.713 1.00 0.00 N ATOM 1203 NH2 ARG A 74 98.505 -6.762 -11.171 1.00 0.00 N ATOM 0 H ARG A 74 104.018 -3.886 -13.218 1.00 0.00 H new ATOM 0 HA ARG A 74 103.989 -6.799 -12.813 1.00 0.00 H new ATOM 0 HB2 ARG A 74 103.357 -5.018 -15.215 1.00 0.00 H new ATOM 0 HB3 ARG A 74 103.240 -6.766 -15.220 1.00 0.00 H new ATOM 0 HG2 ARG A 74 101.758 -5.053 -13.169 1.00 0.00 H new ATOM 0 HG3 ARG A 74 101.052 -5.459 -14.721 1.00 0.00 H new ATOM 0 HD2 ARG A 74 101.390 -7.905 -14.215 1.00 0.00 H new ATOM 0 HD3 ARG A 74 102.048 -7.479 -12.648 1.00 0.00 H new ATOM 0 HE ARG A 74 99.205 -7.238 -13.501 1.00 0.00 H new ATOM 0 HH11 ARG A 74 101.682 -6.652 -11.018 1.00 0.00 H new ATOM 0 HH12 ARG A 74 100.487 -6.418 -9.737 1.00 0.00 H new ATOM 0 HH21 ARG A 74 97.743 -6.914 -11.832 1.00 0.00 H new ATOM 0 HH22 ARG A 74 98.298 -6.564 -10.192 1.00 0.00 H new ATOM 1217 N GLY A 75 105.976 -7.440 -14.239 1.00 0.00 N ATOM 1218 CA GLY A 75 107.280 -7.785 -14.804 1.00 0.00 C ATOM 1219 C GLY A 75 107.686 -9.199 -14.409 1.00 0.00 C ATOM 1220 O GLY A 75 106.867 -10.121 -14.446 1.00 0.00 O ATOM 0 H GLY A 75 105.397 -8.243 -13.993 1.00 0.00 H new ATOM 0 HA2 GLY A 75 107.244 -7.703 -15.890 1.00 0.00 H new ATOM 0 HA3 GLY A 75 108.031 -7.076 -14.456 1.00 0.00 H new ATOM 1224 N GLY A 76 108.958 -9.360 -14.034 1.00 0.00 N ATOM 1225 CA GLY A 76 109.480 -10.664 -13.631 1.00 0.00 C ATOM 1226 C GLY A 76 110.518 -11.165 -14.626 1.00 0.00 C ATOM 1227 O GLY A 76 111.572 -10.556 -14.712 1.00 0.00 O ATOM 1228 OXT GLY A 76 110.245 -12.153 -15.289 1.00 0.00 O ATOM 0 H GLY A 76 109.642 -8.604 -14.002 1.00 0.00 H new ATOM 0 HA2 GLY A 76 109.927 -10.591 -12.639 1.00 0.00 H new ATOM 0 HA3 GLY A 76 108.662 -11.381 -13.560 1.00 0.00 H new TER 1232 GLY A 76 ATOM 1233 N GLN B 198 117.090 -13.594 -5.719 1.00 0.00 N ATOM 1234 CA GLN B 198 116.627 -13.099 -7.045 1.00 0.00 C ATOM 1235 C GLN B 198 115.168 -12.657 -6.938 1.00 0.00 C ATOM 1236 O GLN B 198 114.749 -11.700 -7.595 1.00 0.00 O ATOM 1237 CB GLN B 198 116.765 -14.218 -8.080 1.00 0.00 C ATOM 1238 CG GLN B 198 118.249 -14.535 -8.318 1.00 0.00 C ATOM 1239 CD GLN B 198 118.401 -15.719 -9.278 1.00 0.00 C ATOM 1240 OE1 GLN B 198 117.412 -16.267 -9.774 1.00 0.00 O ATOM 1241 NE2 GLN B 198 119.598 -16.150 -9.577 1.00 0.00 N ATOM 0 HA GLN B 198 117.234 -12.249 -7.357 1.00 0.00 H new ATOM 0 HB2 GLN B 198 116.245 -15.111 -7.733 1.00 0.00 H new ATOM 0 HB3 GLN B 198 116.294 -13.918 -9.016 1.00 0.00 H new ATOM 0 HG2 GLN B 198 118.752 -13.660 -8.729 1.00 0.00 H new ATOM 0 HG3 GLN B 198 118.734 -14.765 -7.369 1.00 0.00 H new ATOM 0 HE21 GLN B 198 120.418 -15.701 -9.170 1.00 0.00 H new ATOM 0 HE22 GLN B 198 119.712 -16.936 -10.217 1.00 0.00 H new ATOM 1250 N VAL B 199 114.409 -13.364 -6.099 1.00 0.00 N ATOM 1251 CA VAL B 199 112.994 -13.052 -5.894 1.00 0.00 C ATOM 1252 C VAL B 199 112.786 -12.526 -4.475 1.00 0.00 C ATOM 1253 O VAL B 199 113.183 -13.169 -3.500 1.00 0.00 O ATOM 1254 CB VAL B 199 112.127 -14.309 -6.123 1.00 0.00 C ATOM 1255 CG1 VAL B 199 110.640 -13.962 -5.980 1.00 0.00 C ATOM 1256 CG2 VAL B 199 112.371 -14.865 -7.531 1.00 0.00 C ATOM 0 H VAL B 199 114.750 -14.155 -5.552 1.00 0.00 H new ATOM 0 HA VAL B 199 112.693 -12.288 -6.611 1.00 0.00 H new ATOM 0 HB VAL B 199 112.401 -15.056 -5.378 1.00 0.00 H new ATOM 0 HG11 VAL B 199 110.040 -14.857 -6.144 1.00 0.00 H new ATOM 0 HG12 VAL B 199 110.451 -13.577 -4.978 1.00 0.00 H new ATOM 0 HG13 VAL B 199 110.371 -13.205 -6.716 1.00 0.00 H new ATOM 0 HG21 VAL B 199 111.755 -15.751 -7.684 1.00 0.00 H new ATOM 0 HG22 VAL B 199 112.109 -14.109 -8.271 1.00 0.00 H new ATOM 0 HG23 VAL B 199 113.423 -15.130 -7.640 1.00 0.00 H new ATOM 1266 N THR B 200 112.160 -11.354 -4.380 1.00 0.00 N ATOM 1267 CA THR B 200 111.891 -10.732 -3.089 1.00 0.00 C ATOM 1268 C THR B 200 110.579 -11.255 -2.516 1.00 0.00 C ATOM 1269 O THR B 200 109.754 -11.819 -3.240 1.00 0.00 O ATOM 1270 CB THR B 200 111.814 -9.209 -3.250 1.00 0.00 C ATOM 1271 OG1 THR B 200 110.983 -8.894 -4.358 1.00 0.00 O ATOM 1272 CG2 THR B 200 113.218 -8.639 -3.485 1.00 0.00 C ATOM 0 H THR B 200 111.830 -10.818 -5.183 1.00 0.00 H new ATOM 0 HA THR B 200 112.701 -10.981 -2.404 1.00 0.00 H new ATOM 0 HB THR B 200 111.397 -8.771 -2.343 1.00 0.00 H new ATOM 0 HG1 THR B 200 110.659 -7.973 -4.273 1.00 0.00 H new ATOM 0 HG21 THR B 200 113.157 -7.557 -3.599 1.00 0.00 H new ATOM 0 HG22 THR B 200 113.855 -8.879 -2.634 1.00 0.00 H new ATOM 0 HG23 THR B 200 113.641 -9.076 -4.390 1.00 0.00 H new ATOM 1280 N LYS B 201 110.396 -11.054 -1.212 1.00 0.00 N ATOM 1281 CA LYS B 201 109.183 -11.490 -0.531 1.00 0.00 C ATOM 1282 C LYS B 201 108.672 -10.398 0.400 1.00 0.00 C ATOM 1283 O LYS B 201 109.453 -9.612 0.939 1.00 0.00 O ATOM 1284 CB LYS B 201 109.455 -12.774 0.255 1.00 0.00 C ATOM 1285 CG LYS B 201 109.669 -13.932 -0.725 1.00 0.00 C ATOM 1286 CD LYS B 201 109.997 -15.206 0.050 1.00 0.00 C ATOM 1287 CE LYS B 201 110.213 -16.359 -0.933 1.00 0.00 C ATOM 1288 NZ LYS B 201 110.567 -17.593 -0.176 1.00 0.00 N ATOM 0 H LYS B 201 111.075 -10.591 -0.607 1.00 0.00 H new ATOM 0 HA LYS B 201 108.416 -11.691 -1.279 1.00 0.00 H new ATOM 0 HB2 LYS B 201 110.335 -12.649 0.885 1.00 0.00 H new ATOM 0 HB3 LYS B 201 108.617 -12.993 0.917 1.00 0.00 H new ATOM 0 HG2 LYS B 201 108.773 -14.082 -1.328 1.00 0.00 H new ATOM 0 HG3 LYS B 201 110.480 -13.694 -1.413 1.00 0.00 H new ATOM 0 HD2 LYS B 201 110.892 -15.057 0.654 1.00 0.00 H new ATOM 0 HD3 LYS B 201 109.185 -15.446 0.736 1.00 0.00 H new ATOM 0 HE2 LYS B 201 109.310 -16.525 -1.520 1.00 0.00 H new ATOM 0 HE3 LYS B 201 111.008 -16.109 -1.635 1.00 0.00 H new ATOM 0 HZ1 LYS B 201 110.714 -18.378 -0.842 1.00 0.00 H new ATOM 0 HZ2 LYS B 201 111.440 -17.430 0.366 1.00 0.00 H new ATOM 0 HZ3 LYS B 201 109.794 -17.833 0.477 1.00 0.00 H new ATOM 1302 N VAL B 202 107.355 -10.369 0.578 1.00 0.00 N ATOM 1303 CA VAL B 202 106.712 -9.382 1.447 1.00 0.00 C ATOM 1304 C VAL B 202 105.552 -10.020 2.200 1.00 0.00 C ATOM 1305 O VAL B 202 104.805 -10.824 1.640 1.00 0.00 O ATOM 1306 CB VAL B 202 106.216 -8.179 0.632 1.00 0.00 C ATOM 1307 CG1 VAL B 202 107.417 -7.426 0.045 1.00 0.00 C ATOM 1308 CG2 VAL B 202 105.301 -8.649 -0.509 1.00 0.00 C ATOM 0 H VAL B 202 106.708 -11.019 0.132 1.00 0.00 H new ATOM 0 HA VAL B 202 107.450 -9.028 2.167 1.00 0.00 H new ATOM 0 HB VAL B 202 105.652 -7.517 1.289 1.00 0.00 H new ATOM 0 HG11 VAL B 202 107.064 -6.572 -0.533 1.00 0.00 H new ATOM 0 HG12 VAL B 202 108.058 -7.076 0.854 1.00 0.00 H new ATOM 0 HG13 VAL B 202 107.984 -8.094 -0.604 1.00 0.00 H new ATOM 0 HG21 VAL B 202 104.957 -7.786 -1.078 1.00 0.00 H new ATOM 0 HG22 VAL B 202 105.854 -9.320 -1.166 1.00 0.00 H new ATOM 0 HG23 VAL B 202 104.442 -9.175 -0.093 1.00 0.00 H new ATOM 1318 N ASP B 203 105.426 -9.666 3.479 1.00 0.00 N ATOM 1319 CA ASP B 203 104.370 -10.211 4.327 1.00 0.00 C ATOM 1320 C ASP B 203 103.025 -9.571 4.001 1.00 0.00 C ATOM 1321 O ASP B 203 102.978 -8.430 3.534 1.00 0.00 O ATOM 1322 CB ASP B 203 104.713 -9.960 5.797 1.00 0.00 C ATOM 1323 CG ASP B 203 104.850 -8.462 6.055 1.00 0.00 C ATOM 1324 OD1 ASP B 203 104.180 -7.972 6.950 1.00 0.00 O ATOM 1325 OD2 ASP B 203 105.627 -7.827 5.359 1.00 0.00 O ATOM 0 H ASP B 203 106.043 -9.004 3.949 1.00 0.00 H new ATOM 0 HA ASP B 203 104.297 -11.283 4.141 1.00 0.00 H new ATOM 0 HB2 ASP B 203 103.935 -10.377 6.436 1.00 0.00 H new ATOM 0 HB3 ASP B 203 105.643 -10.468 6.053 1.00 0.00 H new ATOM 1330 N CYS B 204 101.935 -10.304 4.264 1.00 0.00 N ATOM 1331 CA CYS B 204 100.594 -9.770 3.999 1.00 0.00 C ATOM 1332 C CYS B 204 100.051 -9.044 5.250 1.00 0.00 C ATOM 1333 O CYS B 204 99.937 -9.660 6.303 1.00 0.00 O ATOM 1334 CB CYS B 204 99.619 -10.879 3.596 1.00 0.00 C ATOM 1335 SG CYS B 204 98.026 -10.163 3.098 1.00 0.00 S ATOM 0 H CYS B 204 101.953 -11.247 4.651 1.00 0.00 H new ATOM 0 HA CYS B 204 100.679 -9.066 3.171 1.00 0.00 H new ATOM 0 HB2 CYS B 204 100.037 -11.460 2.774 1.00 0.00 H new ATOM 0 HB3 CYS B 204 99.473 -11.565 4.430 1.00 0.00 H new ATOM 1340 N PRO B 205 99.708 -7.756 5.177 1.00 0.00 N ATOM 1341 CA PRO B 205 99.173 -7.006 6.370 1.00 0.00 C ATOM 1342 C PRO B 205 97.751 -7.454 6.763 1.00 0.00 C ATOM 1343 O PRO B 205 97.247 -7.091 7.829 1.00 0.00 O ATOM 1344 CB PRO B 205 99.171 -5.541 5.910 1.00 0.00 C ATOM 1345 CG PRO B 205 99.113 -5.579 4.418 1.00 0.00 C ATOM 1346 CD PRO B 205 99.782 -6.879 3.984 1.00 0.00 C ATOM 0 HA PRO B 205 99.778 -7.183 7.259 1.00 0.00 H new ATOM 0 HB2 PRO B 205 98.316 -5.004 6.320 1.00 0.00 H new ATOM 0 HB3 PRO B 205 100.067 -5.023 6.253 1.00 0.00 H new ATOM 0 HG2 PRO B 205 98.081 -5.541 4.070 1.00 0.00 H new ATOM 0 HG3 PRO B 205 99.626 -4.718 3.989 1.00 0.00 H new ATOM 0 HD2 PRO B 205 99.267 -7.324 3.133 1.00 0.00 H new ATOM 0 HD3 PRO B 205 100.815 -6.711 3.680 1.00 0.00 H new ATOM 1354 N VAL B 206 97.120 -8.221 5.875 1.00 0.00 N ATOM 1355 CA VAL B 206 95.751 -8.714 6.069 1.00 0.00 C ATOM 1356 C VAL B 206 95.731 -10.033 6.814 1.00 0.00 C ATOM 1357 O VAL B 206 94.948 -10.226 7.749 1.00 0.00 O ATOM 1358 CB VAL B 206 95.110 -8.992 4.691 1.00 0.00 C ATOM 1359 CG1 VAL B 206 93.629 -9.393 4.845 1.00 0.00 C ATOM 1360 CG2 VAL B 206 95.228 -7.780 3.767 1.00 0.00 C ATOM 0 H VAL B 206 97.543 -8.521 4.996 1.00 0.00 H new ATOM 0 HA VAL B 206 95.214 -7.953 6.636 1.00 0.00 H new ATOM 0 HB VAL B 206 95.655 -9.821 4.240 1.00 0.00 H new ATOM 0 HG11 VAL B 206 93.199 -9.584 3.861 1.00 0.00 H new ATOM 0 HG12 VAL B 206 93.558 -10.295 5.453 1.00 0.00 H new ATOM 0 HG13 VAL B 206 93.082 -8.584 5.329 1.00 0.00 H new ATOM 0 HG21 VAL B 206 94.767 -8.009 2.806 1.00 0.00 H new ATOM 0 HG22 VAL B 206 94.721 -6.927 4.219 1.00 0.00 H new ATOM 0 HG23 VAL B 206 96.280 -7.538 3.617 1.00 0.00 H new ATOM 1370 N CYS B 207 96.528 -10.962 6.308 1.00 0.00 N ATOM 1371 CA CYS B 207 96.556 -12.310 6.834 1.00 0.00 C ATOM 1372 C CYS B 207 97.941 -12.725 7.319 1.00 0.00 C ATOM 1373 O CYS B 207 98.073 -13.707 8.051 1.00 0.00 O ATOM 1374 CB CYS B 207 96.046 -13.228 5.715 1.00 0.00 C ATOM 1375 SG CYS B 207 97.339 -13.545 4.478 1.00 0.00 S ATOM 0 H CYS B 207 97.166 -10.801 5.529 1.00 0.00 H new ATOM 0 HA CYS B 207 95.921 -12.380 7.717 1.00 0.00 H new ATOM 0 HB2 CYS B 207 95.709 -14.173 6.142 1.00 0.00 H new ATOM 0 HB3 CYS B 207 95.182 -12.771 5.232 1.00 0.00 H new ATOM 1380 N GLY B 208 98.963 -11.979 6.908 1.00 0.00 N ATOM 1381 CA GLY B 208 100.326 -12.282 7.308 1.00 0.00 C ATOM 1382 C GLY B 208 100.770 -13.622 6.750 1.00 0.00 C ATOM 1383 O GLY B 208 100.872 -14.605 7.488 1.00 0.00 O ATOM 0 H GLY B 208 98.870 -11.165 6.301 1.00 0.00 H new ATOM 0 HA2 GLY B 208 100.995 -11.497 6.956 1.00 0.00 H new ATOM 0 HA3 GLY B 208 100.395 -12.296 8.396 1.00 0.00 H new ATOM 1387 N VAL B 209 101.032 -13.647 5.446 1.00 0.00 N ATOM 1388 CA VAL B 209 101.485 -14.855 4.769 1.00 0.00 C ATOM 1389 C VAL B 209 102.693 -14.516 3.896 1.00 0.00 C ATOM 1390 O VAL B 209 102.688 -13.512 3.177 1.00 0.00 O ATOM 1391 CB VAL B 209 100.340 -15.455 3.930 1.00 0.00 C ATOM 1392 CG1 VAL B 209 100.855 -16.587 3.027 1.00 0.00 C ATOM 1393 CG2 VAL B 209 99.278 -16.024 4.872 1.00 0.00 C ATOM 0 H VAL B 209 100.937 -12.836 4.834 1.00 0.00 H new ATOM 0 HA VAL B 209 101.783 -15.602 5.504 1.00 0.00 H new ATOM 0 HB VAL B 209 99.920 -14.668 3.303 1.00 0.00 H new ATOM 0 HG11 VAL B 209 100.028 -16.994 2.445 1.00 0.00 H new ATOM 0 HG12 VAL B 209 101.616 -16.196 2.351 1.00 0.00 H new ATOM 0 HG13 VAL B 209 101.287 -17.376 3.643 1.00 0.00 H new ATOM 0 HG21 VAL B 209 98.464 -16.451 4.287 1.00 0.00 H new ATOM 0 HG22 VAL B 209 99.723 -16.800 5.495 1.00 0.00 H new ATOM 0 HG23 VAL B 209 98.890 -15.227 5.507 1.00 0.00 H new ATOM 1403 N ASN B 210 103.708 -15.376 3.956 1.00 0.00 N ATOM 1404 CA ASN B 210 104.912 -15.178 3.166 1.00 0.00 C ATOM 1405 C ASN B 210 104.572 -15.367 1.701 1.00 0.00 C ATOM 1406 O ASN B 210 104.079 -16.427 1.305 1.00 0.00 O ATOM 1407 CB ASN B 210 105.987 -16.176 3.587 1.00 0.00 C ATOM 1408 CG ASN B 210 107.307 -15.830 2.912 1.00 0.00 C ATOM 1409 OD1 ASN B 210 107.898 -16.668 2.231 1.00 0.00 O ATOM 1410 ND2 ASN B 210 107.805 -14.634 3.061 1.00 0.00 N ATOM 0 H ASN B 210 103.717 -16.211 4.542 1.00 0.00 H new ATOM 0 HA ASN B 210 105.295 -14.171 3.328 1.00 0.00 H new ATOM 0 HB2 ASN B 210 106.107 -16.159 4.670 1.00 0.00 H new ATOM 0 HB3 ASN B 210 105.684 -17.187 3.315 1.00 0.00 H new ATOM 0 HD21 ASN B 210 108.688 -14.390 2.612 1.00 0.00 H new ATOM 0 HD22 ASN B 210 107.312 -13.943 3.626 1.00 0.00 H new ATOM 1417 N ILE B 211 104.817 -14.325 0.903 1.00 0.00 N ATOM 1418 CA ILE B 211 104.510 -14.388 -0.523 1.00 0.00 C ATOM 1419 C ILE B 211 105.491 -13.517 -1.332 1.00 0.00 C ATOM 1420 O ILE B 211 105.807 -12.404 -0.900 1.00 0.00 O ATOM 1421 CB ILE B 211 103.058 -13.923 -0.802 1.00 0.00 C ATOM 1422 CG1 ILE B 211 102.068 -14.725 0.070 1.00 0.00 C ATOM 1423 CG2 ILE B 211 102.715 -14.152 -2.288 1.00 0.00 C ATOM 1424 CD1 ILE B 211 100.666 -14.130 -0.030 1.00 0.00 C ATOM 0 H ILE B 211 105.221 -13.442 1.216 1.00 0.00 H new ATOM 0 HA ILE B 211 104.613 -15.428 -0.834 1.00 0.00 H new ATOM 0 HB ILE B 211 102.978 -12.863 -0.562 1.00 0.00 H new ATOM 0 HG12 ILE B 211 102.052 -15.766 -0.252 1.00 0.00 H new ATOM 0 HG13 ILE B 211 102.400 -14.717 1.108 1.00 0.00 H new ATOM 0 HG21 ILE B 211 101.693 -13.824 -2.480 1.00 0.00 H new ATOM 0 HG22 ILE B 211 103.403 -13.582 -2.912 1.00 0.00 H new ATOM 0 HG23 ILE B 211 102.806 -15.212 -2.523 1.00 0.00 H new ATOM 0 HD11 ILE B 211 99.981 -14.707 0.591 1.00 0.00 H new ATOM 0 HD12 ILE B 211 100.684 -13.096 0.314 1.00 0.00 H new ATOM 0 HD13 ILE B 211 100.331 -14.161 -1.067 1.00 0.00 H new ATOM 1436 N PRO B 212 105.955 -13.972 -2.502 1.00 0.00 N ATOM 1437 CA PRO B 212 106.879 -13.165 -3.350 1.00 0.00 C ATOM 1438 C PRO B 212 106.291 -11.788 -3.643 1.00 0.00 C ATOM 1439 O PRO B 212 105.074 -11.599 -3.556 1.00 0.00 O ATOM 1440 CB PRO B 212 107.033 -13.989 -4.635 1.00 0.00 C ATOM 1441 CG PRO B 212 106.674 -15.386 -4.263 1.00 0.00 C ATOM 1442 CD PRO B 212 105.669 -15.285 -3.133 1.00 0.00 C ATOM 0 HA PRO B 212 107.836 -12.979 -2.862 1.00 0.00 H new ATOM 0 HB2 PRO B 212 106.379 -13.613 -5.422 1.00 0.00 H new ATOM 0 HB3 PRO B 212 108.053 -13.935 -5.015 1.00 0.00 H new ATOM 0 HG2 PRO B 212 106.248 -15.917 -5.114 1.00 0.00 H new ATOM 0 HG3 PRO B 212 107.557 -15.943 -3.949 1.00 0.00 H new ATOM 0 HD2 PRO B 212 104.646 -15.332 -3.506 1.00 0.00 H new ATOM 0 HD3 PRO B 212 105.787 -16.102 -2.421 1.00 0.00 H new ATOM 1450 N GLU B 213 107.159 -10.837 -3.989 1.00 0.00 N ATOM 1451 CA GLU B 213 106.715 -9.475 -4.296 1.00 0.00 C ATOM 1452 C GLU B 213 105.864 -9.446 -5.573 1.00 0.00 C ATOM 1453 O GLU B 213 105.162 -8.465 -5.825 1.00 0.00 O ATOM 1454 CB GLU B 213 107.923 -8.553 -4.457 1.00 0.00 C ATOM 1455 CG GLU B 213 107.455 -7.087 -4.527 1.00 0.00 C ATOM 1456 CD GLU B 213 108.655 -6.127 -4.576 1.00 0.00 C ATOM 1457 OE1 GLU B 213 108.459 -4.948 -4.313 1.00 0.00 O ATOM 1458 OE2 GLU B 213 109.747 -6.573 -4.889 1.00 0.00 O ATOM 0 H GLU B 213 108.166 -10.981 -4.064 1.00 0.00 H new ATOM 0 HA GLU B 213 106.101 -9.125 -3.467 1.00 0.00 H new ATOM 0 HB2 GLU B 213 108.608 -8.686 -3.619 1.00 0.00 H new ATOM 0 HB3 GLU B 213 108.472 -8.813 -5.362 1.00 0.00 H new ATOM 0 HG2 GLU B 213 106.833 -6.942 -5.410 1.00 0.00 H new ATOM 0 HG3 GLU B 213 106.836 -6.857 -3.660 1.00 0.00 H new ATOM 1465 N SER B 214 105.940 -10.518 -6.364 1.00 0.00 N ATOM 1466 CA SER B 214 105.178 -10.612 -7.605 1.00 0.00 C ATOM 1467 C SER B 214 103.779 -11.182 -7.351 1.00 0.00 C ATOM 1468 O SER B 214 102.788 -10.673 -7.881 1.00 0.00 O ATOM 1469 CB SER B 214 105.922 -11.510 -8.594 1.00 0.00 C ATOM 1470 OG SER B 214 107.109 -10.856 -9.023 1.00 0.00 O ATOM 0 H SER B 214 106.522 -11.332 -6.165 1.00 0.00 H new ATOM 0 HA SER B 214 105.071 -9.609 -8.019 1.00 0.00 H new ATOM 0 HB2 SER B 214 106.168 -12.462 -8.124 1.00 0.00 H new ATOM 0 HB3 SER B 214 105.286 -11.732 -9.451 1.00 0.00 H new ATOM 0 HG SER B 214 107.589 -11.430 -9.656 1.00 0.00 H new ATOM 1476 N HIS B 215 103.713 -12.240 -6.541 1.00 0.00 N ATOM 1477 CA HIS B 215 102.438 -12.892 -6.219 1.00 0.00 C ATOM 1478 C HIS B 215 101.640 -12.115 -5.171 1.00 0.00 C ATOM 1479 O HIS B 215 100.489 -12.461 -4.897 1.00 0.00 O ATOM 1480 CB HIS B 215 102.708 -14.306 -5.690 1.00 0.00 C ATOM 1481 CG HIS B 215 103.070 -15.221 -6.828 1.00 0.00 C ATOM 1482 ND1 HIS B 215 104.319 -15.207 -7.424 1.00 0.00 N ATOM 1483 CD2 HIS B 215 102.343 -16.175 -7.493 1.00 0.00 C ATOM 1484 CE1 HIS B 215 104.309 -16.126 -8.405 1.00 0.00 C ATOM 1485 NE2 HIS B 215 103.128 -16.746 -8.490 1.00 0.00 N ATOM 0 H HIS B 215 104.526 -12.665 -6.095 1.00 0.00 H new ATOM 0 HA HIS B 215 101.848 -12.926 -7.135 1.00 0.00 H new ATOM 0 HB2 HIS B 215 103.518 -14.282 -4.960 1.00 0.00 H new ATOM 0 HB3 HIS B 215 101.826 -14.685 -5.174 1.00 0.00 H new ATOM 0 HD2 HIS B 215 101.319 -16.442 -7.276 1.00 0.00 H new ATOM 0 HE1 HIS B 215 105.152 -16.337 -9.046 1.00 0.00 H new ATOM 0 HE2 HIS B 215 102.860 -17.480 -9.145 1.00 0.00 H new ATOM 1493 N ILE B 216 102.257 -11.085 -4.583 1.00 0.00 N ATOM 1494 CA ILE B 216 101.600 -10.286 -3.559 1.00 0.00 C ATOM 1495 C ILE B 216 100.411 -9.514 -4.136 1.00 0.00 C ATOM 1496 O ILE B 216 99.373 -9.392 -3.483 1.00 0.00 O ATOM 1497 CB ILE B 216 102.616 -9.318 -2.914 1.00 0.00 C ATOM 1498 CG1 ILE B 216 101.978 -8.642 -1.687 1.00 0.00 C ATOM 1499 CG2 ILE B 216 103.065 -8.245 -3.926 1.00 0.00 C ATOM 1500 CD1 ILE B 216 101.856 -9.646 -0.534 1.00 0.00 C ATOM 0 H ILE B 216 103.209 -10.790 -4.802 1.00 0.00 H new ATOM 0 HA ILE B 216 101.216 -10.959 -2.793 1.00 0.00 H new ATOM 0 HB ILE B 216 103.492 -9.888 -2.604 1.00 0.00 H new ATOM 0 HG12 ILE B 216 102.584 -7.791 -1.375 1.00 0.00 H new ATOM 0 HG13 ILE B 216 100.993 -8.254 -1.947 1.00 0.00 H new ATOM 0 HG21 ILE B 216 103.780 -7.574 -3.451 1.00 0.00 H new ATOM 0 HG22 ILE B 216 103.534 -8.727 -4.784 1.00 0.00 H new ATOM 0 HG23 ILE B 216 102.198 -7.674 -4.260 1.00 0.00 H new ATOM 0 HD11 ILE B 216 101.403 -9.156 0.328 1.00 0.00 H new ATOM 0 HD12 ILE B 216 101.231 -10.483 -0.845 1.00 0.00 H new ATOM 0 HD13 ILE B 216 102.846 -10.013 -0.265 1.00 0.00 H new ATOM 1512 N ASN B 217 100.585 -8.982 -5.349 1.00 0.00 N ATOM 1513 CA ASN B 217 99.530 -8.204 -5.993 1.00 0.00 C ATOM 1514 C ASN B 217 98.300 -9.072 -6.221 1.00 0.00 C ATOM 1515 O ASN B 217 97.178 -8.670 -5.899 1.00 0.00 O ATOM 1516 CB ASN B 217 100.034 -7.651 -7.330 1.00 0.00 C ATOM 1517 CG ASN B 217 101.097 -6.577 -7.093 1.00 0.00 C ATOM 1518 OD1 ASN B 217 101.018 -5.818 -6.125 1.00 0.00 O ATOM 1519 ND2 ASN B 217 102.096 -6.467 -7.927 1.00 0.00 N ATOM 0 H ASN B 217 101.439 -9.076 -5.898 1.00 0.00 H new ATOM 0 HA ASN B 217 99.257 -7.373 -5.342 1.00 0.00 H new ATOM 0 HB2 ASN B 217 100.451 -8.459 -7.931 1.00 0.00 H new ATOM 0 HB3 ASN B 217 99.202 -7.230 -7.894 1.00 0.00 H new ATOM 0 HD21 ASN B 217 102.810 -5.754 -7.777 1.00 0.00 H new ATOM 0 HD22 ASN B 217 102.163 -7.094 -8.728 1.00 0.00 H new ATOM 1526 N LYS B 218 98.521 -10.273 -6.759 1.00 0.00 N ATOM 1527 CA LYS B 218 97.426 -11.209 -7.004 1.00 0.00 C ATOM 1528 C LYS B 218 96.834 -11.672 -5.679 1.00 0.00 C ATOM 1529 O LYS B 218 95.611 -11.726 -5.522 1.00 0.00 O ATOM 1530 CB LYS B 218 97.919 -12.420 -7.796 1.00 0.00 C ATOM 1531 CG LYS B 218 98.344 -11.974 -9.198 1.00 0.00 C ATOM 1532 CD LYS B 218 98.817 -13.189 -10.001 1.00 0.00 C ATOM 1533 CE LYS B 218 99.225 -12.741 -11.402 1.00 0.00 C ATOM 1534 NZ LYS B 218 99.696 -13.922 -12.178 1.00 0.00 N ATOM 0 H LYS B 218 99.442 -10.617 -7.031 1.00 0.00 H new ATOM 0 HA LYS B 218 96.660 -10.698 -7.587 1.00 0.00 H new ATOM 0 HB2 LYS B 218 98.758 -12.887 -7.281 1.00 0.00 H new ATOM 0 HB3 LYS B 218 97.130 -13.169 -7.864 1.00 0.00 H new ATOM 0 HG2 LYS B 218 97.509 -11.492 -9.706 1.00 0.00 H new ATOM 0 HG3 LYS B 218 99.144 -11.237 -9.129 1.00 0.00 H new ATOM 0 HD2 LYS B 218 99.659 -13.665 -9.499 1.00 0.00 H new ATOM 0 HD3 LYS B 218 98.021 -13.931 -10.062 1.00 0.00 H new ATOM 0 HE2 LYS B 218 98.380 -12.273 -11.907 1.00 0.00 H new ATOM 0 HE3 LYS B 218 100.015 -11.992 -11.341 1.00 0.00 H new ATOM 0 HZ1 LYS B 218 99.975 -13.621 -13.134 1.00 0.00 H new ATOM 0 HZ2 LYS B 218 100.513 -14.350 -11.697 1.00 0.00 H new ATOM 0 HZ3 LYS B 218 98.929 -14.621 -12.246 1.00 0.00 H new ATOM 1548 N HIS B 219 97.715 -12.017 -4.737 1.00 0.00 N ATOM 1549 CA HIS B 219 97.274 -12.484 -3.427 1.00 0.00 C ATOM 1550 C HIS B 219 96.380 -11.436 -2.755 1.00 0.00 C ATOM 1551 O HIS B 219 95.465 -11.802 -2.017 1.00 0.00 O ATOM 1552 CB HIS B 219 98.476 -12.823 -2.519 1.00 0.00 C ATOM 1553 CG HIS B 219 97.978 -13.066 -1.112 1.00 0.00 C ATOM 1554 ND1 HIS B 219 97.301 -14.218 -0.746 1.00 0.00 N ATOM 1555 CD2 HIS B 219 97.980 -12.261 -0.006 1.00 0.00 C ATOM 1556 CE1 HIS B 219 96.918 -14.068 0.536 1.00 0.00 C ATOM 1557 NE2 HIS B 219 97.311 -12.891 1.035 1.00 0.00 N ATOM 0 H HIS B 219 98.727 -11.981 -4.858 1.00 0.00 H new ATOM 0 HA HIS B 219 96.696 -13.396 -3.577 1.00 0.00 H new ATOM 0 HB2 HIS B 219 98.993 -13.707 -2.893 1.00 0.00 H new ATOM 0 HB3 HIS B 219 99.196 -12.005 -2.527 1.00 0.00 H new ATOM 0 HD1 HIS B 219 97.125 -15.030 -1.338 1.00 0.00 H new ATOM 0 HD2 HIS B 219 98.434 -11.282 0.049 1.00 0.00 H new ATOM 0 HE1 HIS B 219 96.362 -14.807 1.093 1.00 0.00 H new ATOM 1564 N LEU B 220 96.662 -10.156 -2.987 1.00 0.00 N ATOM 1565 CA LEU B 220 95.873 -9.097 -2.368 1.00 0.00 C ATOM 1566 C LEU B 220 94.417 -9.204 -2.795 1.00 0.00 C ATOM 1567 O LEU B 220 93.512 -9.002 -1.982 1.00 0.00 O ATOM 1568 CB LEU B 220 96.428 -7.722 -2.753 1.00 0.00 C ATOM 1569 CG LEU B 220 97.642 -7.381 -1.874 1.00 0.00 C ATOM 1570 CD1 LEU B 220 98.400 -6.207 -2.492 1.00 0.00 C ATOM 1571 CD2 LEU B 220 97.167 -6.989 -0.464 1.00 0.00 C ATOM 0 H LEU B 220 97.419 -9.832 -3.589 1.00 0.00 H new ATOM 0 HA LEU B 220 95.934 -9.211 -1.286 1.00 0.00 H new ATOM 0 HB2 LEU B 220 96.717 -7.718 -3.804 1.00 0.00 H new ATOM 0 HB3 LEU B 220 95.656 -6.962 -2.632 1.00 0.00 H new ATOM 0 HG LEU B 220 98.296 -8.251 -1.809 1.00 0.00 H new ATOM 0 HD11 LEU B 220 99.262 -5.963 -1.871 1.00 0.00 H new ATOM 0 HD12 LEU B 220 98.739 -6.478 -3.492 1.00 0.00 H new ATOM 0 HD13 LEU B 220 97.741 -5.341 -2.555 1.00 0.00 H new ATOM 0 HD21 LEU B 220 98.030 -6.748 0.157 1.00 0.00 H new ATOM 0 HD22 LEU B 220 96.513 -6.120 -0.529 1.00 0.00 H new ATOM 0 HD23 LEU B 220 96.621 -7.821 -0.019 1.00 0.00 H new ATOM 1583 N ASP B 221 94.200 -9.541 -4.063 1.00 0.00 N ATOM 1584 CA ASP B 221 92.852 -9.698 -4.595 1.00 0.00 C ATOM 1585 C ASP B 221 92.129 -10.865 -3.912 1.00 0.00 C ATOM 1586 O ASP B 221 90.920 -10.799 -3.677 1.00 0.00 O ATOM 1587 CB ASP B 221 92.921 -9.951 -6.101 1.00 0.00 C ATOM 1588 CG ASP B 221 91.546 -9.751 -6.728 1.00 0.00 C ATOM 1589 OD1 ASP B 221 91.487 -9.182 -7.806 1.00 0.00 O ATOM 1590 OD2 ASP B 221 90.570 -10.175 -6.128 1.00 0.00 O ATOM 0 H ASP B 221 94.942 -9.711 -4.742 1.00 0.00 H new ATOM 0 HA ASP B 221 92.295 -8.782 -4.399 1.00 0.00 H new ATOM 0 HB2 ASP B 221 93.641 -9.273 -6.559 1.00 0.00 H new ATOM 0 HB3 ASP B 221 93.273 -10.965 -6.292 1.00 0.00 H new ATOM 1595 N SER B 222 92.879 -11.926 -3.597 1.00 0.00 N ATOM 1596 CA SER B 222 92.315 -13.108 -2.934 1.00 0.00 C ATOM 1597 C SER B 222 92.036 -12.837 -1.453 1.00 0.00 C ATOM 1598 O SER B 222 91.001 -13.245 -0.921 1.00 0.00 O ATOM 1599 CB SER B 222 93.286 -14.283 -3.058 1.00 0.00 C ATOM 1600 OG SER B 222 93.424 -14.639 -4.429 1.00 0.00 O ATOM 0 H SER B 222 93.878 -11.991 -3.790 1.00 0.00 H new ATOM 0 HA SER B 222 91.372 -13.349 -3.424 1.00 0.00 H new ATOM 0 HB2 SER B 222 94.256 -14.013 -2.642 1.00 0.00 H new ATOM 0 HB3 SER B 222 92.919 -15.134 -2.485 1.00 0.00 H new ATOM 0 HG SER B 222 94.047 -15.391 -4.511 1.00 0.00 H new ATOM 1606 N CYS B 223 92.978 -12.153 -0.801 1.00 0.00 N ATOM 1607 CA CYS B 223 92.867 -11.820 0.624 1.00 0.00 C ATOM 1608 C CYS B 223 91.711 -10.852 0.863 1.00 0.00 C ATOM 1609 O CYS B 223 90.948 -11.003 1.822 1.00 0.00 O ATOM 1610 CB CYS B 223 94.184 -11.188 1.091 1.00 0.00 C ATOM 1611 SG CYS B 223 94.524 -11.666 2.805 1.00 0.00 S ATOM 0 H CYS B 223 93.834 -11.815 -1.240 1.00 0.00 H new ATOM 0 HA CYS B 223 92.670 -12.730 1.190 1.00 0.00 H new ATOM 0 HB2 CYS B 223 95.001 -11.510 0.446 1.00 0.00 H new ATOM 0 HB3 CYS B 223 94.125 -10.102 1.012 1.00 0.00 H new ATOM 1616 N LEU B 224 91.600 -9.861 -0.017 1.00 0.00 N ATOM 1617 CA LEU B 224 90.541 -8.862 0.079 1.00 0.00 C ATOM 1618 C LEU B 224 89.172 -9.515 -0.103 1.00 0.00 C ATOM 1619 O LEU B 224 88.218 -9.168 0.590 1.00 0.00 O ATOM 1620 CB LEU B 224 90.759 -7.773 -0.976 1.00 0.00 C ATOM 1621 CG LEU B 224 91.993 -6.939 -0.603 1.00 0.00 C ATOM 1622 CD1 LEU B 224 92.425 -6.098 -1.803 1.00 0.00 C ATOM 1623 CD2 LEU B 224 91.660 -6.005 0.571 1.00 0.00 C ATOM 0 H LEU B 224 92.232 -9.729 -0.806 1.00 0.00 H new ATOM 0 HA LEU B 224 90.573 -8.407 1.069 1.00 0.00 H new ATOM 0 HB2 LEU B 224 90.896 -8.225 -1.958 1.00 0.00 H new ATOM 0 HB3 LEU B 224 89.880 -7.132 -1.040 1.00 0.00 H new ATOM 0 HG LEU B 224 92.800 -7.612 -0.314 1.00 0.00 H new ATOM 0 HD11 LEU B 224 93.301 -5.507 -1.536 1.00 0.00 H new ATOM 0 HD12 LEU B 224 92.671 -6.754 -2.638 1.00 0.00 H new ATOM 0 HD13 LEU B 224 91.612 -5.432 -2.092 1.00 0.00 H new ATOM 0 HD21 LEU B 224 92.541 -5.417 0.829 1.00 0.00 H new ATOM 0 HD22 LEU B 224 90.848 -5.336 0.285 1.00 0.00 H new ATOM 0 HD23 LEU B 224 91.354 -6.598 1.433 1.00 0.00 H new ATOM 1635 N SER B 225 89.087 -10.465 -1.041 1.00 0.00 N ATOM 1636 CA SER B 225 87.833 -11.171 -1.306 1.00 0.00 C ATOM 1637 C SER B 225 87.356 -11.906 -0.055 1.00 0.00 C ATOM 1638 O SER B 225 86.153 -11.946 0.224 1.00 0.00 O ATOM 1639 CB SER B 225 88.027 -12.176 -2.445 1.00 0.00 C ATOM 1640 OG SER B 225 88.189 -11.479 -3.673 1.00 0.00 O ATOM 0 H SER B 225 89.869 -10.760 -1.626 1.00 0.00 H new ATOM 0 HA SER B 225 87.080 -10.437 -1.593 1.00 0.00 H new ATOM 0 HB2 SER B 225 88.901 -12.798 -2.250 1.00 0.00 H new ATOM 0 HB3 SER B 225 87.168 -12.844 -2.505 1.00 0.00 H new ATOM 0 HG SER B 225 89.122 -11.195 -3.767 1.00 0.00 H new ATOM 1646 N ARG B 226 88.303 -12.489 0.689 1.00 0.00 N ATOM 1647 CA ARG B 226 87.970 -13.229 1.906 1.00 0.00 C ATOM 1648 C ARG B 226 87.262 -12.316 2.888 1.00 0.00 C ATOM 1649 O ARG B 226 86.227 -12.677 3.450 1.00 0.00 O ATOM 1650 CB ARG B 226 89.245 -13.783 2.546 1.00 0.00 C ATOM 1651 CG ARG B 226 89.799 -14.934 1.698 1.00 0.00 C ATOM 1652 CD ARG B 226 91.124 -15.422 2.288 1.00 0.00 C ATOM 1653 NE ARG B 226 90.898 -15.995 3.618 1.00 0.00 N ATOM 1654 CZ ARG B 226 91.900 -16.428 4.405 1.00 0.00 C ATOM 1655 NH1 ARG B 226 93.155 -16.366 4.021 1.00 0.00 N ATOM 1656 NH2 ARG B 226 91.619 -16.920 5.578 1.00 0.00 N ATOM 0 H ARG B 226 89.299 -12.462 0.470 1.00 0.00 H new ATOM 0 HA ARG B 226 87.311 -14.057 1.646 1.00 0.00 H new ATOM 0 HB2 ARG B 226 89.991 -12.993 2.634 1.00 0.00 H new ATOM 0 HB3 ARG B 226 89.032 -14.134 3.556 1.00 0.00 H new ATOM 0 HG2 ARG B 226 89.081 -15.753 1.667 1.00 0.00 H new ATOM 0 HG3 ARG B 226 89.948 -14.602 0.671 1.00 0.00 H new ATOM 0 HD2 ARG B 226 91.571 -16.169 1.632 1.00 0.00 H new ATOM 0 HD3 ARG B 226 91.829 -14.594 2.355 1.00 0.00 H new ATOM 0 HE ARG B 226 89.940 -16.069 3.962 1.00 0.00 H new ATOM 0 HH11 ARG B 226 93.390 -15.982 3.106 1.00 0.00 H new ATOM 0 HH12 ARG B 226 93.894 -16.702 4.638 1.00 0.00 H new ATOM 0 HH21 ARG B 226 90.649 -16.973 5.890 1.00 0.00 H new ATOM 0 HH22 ARG B 226 92.369 -17.252 6.185 1.00 0.00 H new ATOM 1670 N GLU B 227 87.835 -11.128 3.087 1.00 0.00 N ATOM 1671 CA GLU B 227 87.265 -10.139 4.000 1.00 0.00 C ATOM 1672 C GLU B 227 85.753 -10.040 3.824 1.00 0.00 C ATOM 1673 O GLU B 227 85.024 -9.838 4.794 1.00 0.00 O ATOM 1674 CB GLU B 227 87.907 -8.776 3.743 1.00 0.00 C ATOM 1675 CG GLU B 227 89.403 -8.840 4.097 1.00 0.00 C ATOM 1676 CD GLU B 227 89.597 -9.091 5.603 1.00 0.00 C ATOM 1677 OE1 GLU B 227 90.661 -9.562 5.975 1.00 0.00 O ATOM 1678 OE2 GLU B 227 88.689 -8.792 6.363 1.00 0.00 O ATOM 0 H GLU B 227 88.695 -10.828 2.627 1.00 0.00 H new ATOM 0 HA GLU B 227 87.469 -10.455 5.023 1.00 0.00 H new ATOM 0 HB2 GLU B 227 87.781 -8.494 2.698 1.00 0.00 H new ATOM 0 HB3 GLU B 227 87.413 -8.011 4.341 1.00 0.00 H new ATOM 0 HG2 GLU B 227 89.883 -9.635 3.526 1.00 0.00 H new ATOM 0 HG3 GLU B 227 89.889 -7.906 3.814 1.00 0.00 H new ATOM 1685 N GLU B 228 85.298 -10.206 2.579 1.00 0.00 N ATOM 1686 CA GLU B 228 83.869 -10.157 2.275 1.00 0.00 C ATOM 1687 C GLU B 228 83.273 -11.568 2.169 1.00 0.00 C ATOM 1688 O GLU B 228 82.074 -11.747 2.390 1.00 0.00 O ATOM 1689 CB GLU B 228 83.639 -9.406 0.960 1.00 0.00 C ATOM 1690 CG GLU B 228 82.137 -9.134 0.768 1.00 0.00 C ATOM 1691 CD GLU B 228 81.627 -8.158 1.841 1.00 0.00 C ATOM 1692 OE1 GLU B 228 80.445 -8.198 2.141 1.00 0.00 O ATOM 1693 OE2 GLU B 228 82.427 -7.381 2.341 1.00 0.00 O ATOM 0 H GLU B 228 85.897 -10.375 1.770 1.00 0.00 H new ATOM 0 HA GLU B 228 83.371 -9.633 3.091 1.00 0.00 H new ATOM 0 HB2 GLU B 228 84.190 -8.465 0.967 1.00 0.00 H new ATOM 0 HB3 GLU B 228 84.021 -9.993 0.124 1.00 0.00 H new ATOM 0 HG2 GLU B 228 81.960 -8.718 -0.224 1.00 0.00 H new ATOM 0 HG3 GLU B 228 81.581 -10.070 0.825 1.00 0.00 H new ATOM 1700 N LYS B 229 84.118 -12.556 1.849 1.00 0.00 N ATOM 1701 CA LYS B 229 83.673 -13.942 1.734 1.00 0.00 C ATOM 1702 C LYS B 229 83.273 -14.497 3.102 1.00 0.00 C ATOM 1703 O LYS B 229 82.370 -15.331 3.200 1.00 0.00 O ATOM 1704 CB LYS B 229 84.781 -14.803 1.128 1.00 0.00 C ATOM 1705 CG LYS B 229 84.181 -16.101 0.591 1.00 0.00 C ATOM 1706 CD LYS B 229 85.262 -16.907 -0.128 1.00 0.00 C ATOM 1707 CE LYS B 229 84.657 -18.213 -0.643 1.00 0.00 C ATOM 1708 NZ LYS B 229 85.696 -18.982 -1.380 1.00 0.00 N ATOM 0 H LYS B 229 85.112 -12.417 1.666 1.00 0.00 H new ATOM 0 HA LYS B 229 82.802 -13.968 1.080 1.00 0.00 H new ATOM 0 HB2 LYS B 229 85.279 -14.261 0.325 1.00 0.00 H new ATOM 0 HB3 LYS B 229 85.538 -15.024 1.881 1.00 0.00 H new ATOM 0 HG2 LYS B 229 83.762 -16.686 1.410 1.00 0.00 H new ATOM 0 HG3 LYS B 229 83.363 -15.879 -0.094 1.00 0.00 H new ATOM 0 HD2 LYS B 229 85.671 -16.330 -0.957 1.00 0.00 H new ATOM 0 HD3 LYS B 229 86.088 -17.118 0.552 1.00 0.00 H new ATOM 0 HE2 LYS B 229 84.275 -18.803 0.190 1.00 0.00 H new ATOM 0 HE3 LYS B 229 83.812 -18.002 -1.298 1.00 0.00 H new ATOM 0 HZ1 LYS B 229 85.286 -19.871 -1.731 1.00 0.00 H new ATOM 0 HZ2 LYS B 229 86.040 -18.418 -2.183 1.00 0.00 H new ATOM 0 HZ3 LYS B 229 86.489 -19.195 -0.741 1.00 0.00 H new ATOM 1722 N LYS B 230 83.968 -14.043 4.152 1.00 0.00 N ATOM 1723 CA LYS B 230 83.698 -14.514 5.512 1.00 0.00 C ATOM 1724 C LYS B 230 82.215 -14.357 5.857 1.00 0.00 C ATOM 1725 O LYS B 230 81.603 -15.279 6.397 1.00 0.00 O ATOM 1726 CB LYS B 230 84.547 -13.728 6.512 1.00 0.00 C ATOM 1727 CG LYS B 230 84.477 -14.408 7.880 1.00 0.00 C ATOM 1728 CD LYS B 230 85.431 -13.710 8.849 1.00 0.00 C ATOM 1729 CE LYS B 230 85.347 -14.382 10.220 1.00 0.00 C ATOM 1730 NZ LYS B 230 85.828 -15.791 10.115 1.00 0.00 N ATOM 0 H LYS B 230 84.717 -13.354 4.085 1.00 0.00 H new ATOM 0 HA LYS B 230 83.956 -15.571 5.568 1.00 0.00 H new ATOM 0 HB2 LYS B 230 85.581 -13.680 6.170 1.00 0.00 H new ATOM 0 HB3 LYS B 230 84.187 -12.702 6.585 1.00 0.00 H new ATOM 0 HG2 LYS B 230 83.458 -14.369 8.265 1.00 0.00 H new ATOM 0 HG3 LYS B 230 84.742 -15.461 7.788 1.00 0.00 H new ATOM 0 HD2 LYS B 230 86.452 -13.759 8.470 1.00 0.00 H new ATOM 0 HD3 LYS B 230 85.173 -12.654 8.933 1.00 0.00 H new ATOM 0 HE2 LYS B 230 85.951 -13.834 10.943 1.00 0.00 H new ATOM 0 HE3 LYS B 230 84.320 -14.364 10.583 1.00 0.00 H new ATOM 0 HZ1 LYS B 230 86.077 -16.144 11.061 1.00 0.00 H new ATOM 0 HZ2 LYS B 230 85.076 -16.385 9.710 1.00 0.00 H new ATOM 0 HZ3 LYS B 230 86.666 -15.827 9.500 1.00 0.00 H new ATOM 1744 N GLU B 231 81.648 -13.191 5.547 1.00 0.00 N ATOM 1745 CA GLU B 231 80.238 -12.925 5.819 1.00 0.00 C ATOM 1746 C GLU B 231 79.342 -13.908 5.067 1.00 0.00 C ATOM 1747 O GLU B 231 78.255 -14.245 5.530 1.00 0.00 O ATOM 1748 CB GLU B 231 79.889 -11.493 5.383 1.00 0.00 C ATOM 1749 CG GLU B 231 80.547 -10.488 6.336 1.00 0.00 C ATOM 1750 CD GLU B 231 79.925 -10.591 7.731 1.00 0.00 C ATOM 1751 OE1 GLU B 231 80.664 -10.469 8.695 1.00 0.00 O ATOM 1752 OE2 GLU B 231 78.723 -10.783 7.814 1.00 0.00 O ATOM 0 H GLU B 231 82.145 -12.416 5.107 1.00 0.00 H new ATOM 0 HA GLU B 231 80.069 -13.043 6.889 1.00 0.00 H new ATOM 0 HB2 GLU B 231 80.232 -11.319 4.363 1.00 0.00 H new ATOM 0 HB3 GLU B 231 78.808 -11.356 5.384 1.00 0.00 H new ATOM 0 HG2 GLU B 231 81.619 -10.679 6.393 1.00 0.00 H new ATOM 0 HG3 GLU B 231 80.424 -9.476 5.950 1.00 0.00 H new ATOM 1759 N SER B 232 79.812 -14.351 3.903 1.00 0.00 N ATOM 1760 CA SER B 232 79.059 -15.291 3.072 1.00 0.00 C ATOM 1761 C SER B 232 79.022 -16.685 3.709 1.00 0.00 C ATOM 1762 O SER B 232 78.040 -17.418 3.548 1.00 0.00 O ATOM 1763 CB SER B 232 79.701 -15.384 1.684 1.00 0.00 C ATOM 1764 OG SER B 232 79.865 -14.074 1.158 1.00 0.00 O ATOM 0 H SER B 232 80.713 -14.074 3.512 1.00 0.00 H new ATOM 0 HA SER B 232 78.037 -14.923 2.985 1.00 0.00 H new ATOM 0 HB2 SER B 232 80.666 -15.886 1.749 1.00 0.00 H new ATOM 0 HB3 SER B 232 79.075 -15.980 1.020 1.00 0.00 H new ATOM 0 HG SER B 232 80.277 -14.127 0.270 1.00 0.00 H new ATOM 1770 N LEU B 233 80.094 -17.030 4.431 1.00 0.00 N ATOM 1771 CA LEU B 233 80.188 -18.329 5.080 1.00 0.00 C ATOM 1772 C LEU B 233 78.948 -18.585 5.928 1.00 0.00 C ATOM 1773 O LEU B 233 78.175 -19.499 5.645 1.00 0.00 O ATOM 1774 CB LEU B 233 81.435 -18.380 5.961 1.00 0.00 C ATOM 1775 CG LEU B 233 82.702 -18.380 5.086 1.00 0.00 C ATOM 1776 CD1 LEU B 233 83.929 -18.115 5.963 1.00 0.00 C ATOM 1777 CD2 LEU B 233 82.860 -19.743 4.394 1.00 0.00 C ATOM 0 H LEU B 233 80.903 -16.426 4.576 1.00 0.00 H new ATOM 0 HA LEU B 233 80.257 -19.101 4.313 1.00 0.00 H new ATOM 0 HB2 LEU B 233 81.449 -17.523 6.635 1.00 0.00 H new ATOM 0 HB3 LEU B 233 81.414 -19.275 6.583 1.00 0.00 H new ATOM 0 HG LEU B 233 82.613 -17.599 4.331 1.00 0.00 H new ATOM 0 HD11 LEU B 233 84.826 -18.115 5.344 1.00 0.00 H new ATOM 0 HD12 LEU B 233 83.825 -17.146 6.451 1.00 0.00 H new ATOM 0 HD13 LEU B 233 84.011 -18.895 6.720 1.00 0.00 H new ATOM 0 HD21 LEU B 233 83.758 -19.736 3.777 1.00 0.00 H new ATOM 0 HD22 LEU B 233 82.944 -20.526 5.148 1.00 0.00 H new ATOM 0 HD23 LEU B 233 81.990 -19.935 3.766 1.00 0.00 H new ATOM 1789 N ARG B 234 78.772 -17.763 6.960 1.00 0.00 N ATOM 1790 CA ARG B 234 77.630 -17.896 7.856 1.00 0.00 C ATOM 1791 C ARG B 234 76.626 -16.772 7.633 1.00 0.00 C ATOM 1792 O ARG B 234 76.925 -15.793 6.952 1.00 0.00 O ATOM 1793 CB ARG B 234 78.109 -17.883 9.315 1.00 0.00 C ATOM 1794 CG ARG B 234 78.823 -16.558 9.618 1.00 0.00 C ATOM 1795 CD ARG B 234 79.279 -16.539 11.074 1.00 0.00 C ATOM 1796 NE ARG B 234 79.907 -15.251 11.389 1.00 0.00 N ATOM 1797 CZ ARG B 234 81.226 -15.025 11.237 1.00 0.00 C ATOM 1798 NH1 ARG B 234 82.040 -15.956 10.789 1.00 0.00 N ATOM 1799 NH2 ARG B 234 81.708 -13.852 11.538 1.00 0.00 N ATOM 0 H ARG B 234 79.406 -16.999 7.195 1.00 0.00 H new ATOM 0 HA ARG B 234 77.136 -18.844 7.642 1.00 0.00 H new ATOM 0 HB2 ARG B 234 77.260 -18.011 9.987 1.00 0.00 H new ATOM 0 HB3 ARG B 234 78.785 -18.719 9.493 1.00 0.00 H new ATOM 0 HG2 ARG B 234 79.681 -16.437 8.957 1.00 0.00 H new ATOM 0 HG3 ARG B 234 78.152 -15.720 9.426 1.00 0.00 H new ATOM 0 HD2 ARG B 234 78.427 -16.707 11.732 1.00 0.00 H new ATOM 0 HD3 ARG B 234 79.985 -17.350 11.253 1.00 0.00 H new ATOM 0 HE ARG B 234 79.319 -14.494 11.738 1.00 0.00 H new ATOM 0 HH11 ARG B 234 81.676 -16.878 10.547 1.00 0.00 H new ATOM 0 HH12 ARG B 234 83.035 -15.756 10.684 1.00 0.00 H new ATOM 0 HH21 ARG B 234 81.088 -13.119 11.884 1.00 0.00 H new ATOM 0 HH22 ARG B 234 82.705 -13.667 11.428 1.00 0.00 H new ATOM 1813 N SER B 235 75.447 -16.930 8.224 1.00 0.00 N ATOM 1814 CA SER B 235 74.392 -15.933 8.103 1.00 0.00 C ATOM 1815 C SER B 235 73.508 -15.952 9.340 1.00 0.00 C ATOM 1816 O SER B 235 73.619 -16.855 10.173 1.00 0.00 O ATOM 1817 CB SER B 235 73.549 -16.212 6.858 1.00 0.00 C ATOM 1818 OG SER B 235 73.143 -17.575 6.862 1.00 0.00 O ATOM 0 H SER B 235 75.198 -17.740 8.792 1.00 0.00 H new ATOM 0 HA SER B 235 74.849 -14.948 8.011 1.00 0.00 H new ATOM 0 HB2 SER B 235 72.675 -15.560 6.843 1.00 0.00 H new ATOM 0 HB3 SER B 235 74.125 -15.995 5.958 1.00 0.00 H new ATOM 0 HG SER B 235 72.279 -17.658 7.317 1.00 0.00 H new ATOM 1824 N SER B 236 72.634 -14.953 9.449 1.00 0.00 N ATOM 1825 CA SER B 236 71.727 -14.859 10.591 1.00 0.00 C ATOM 1826 C SER B 236 70.891 -16.128 10.707 1.00 0.00 C ATOM 1827 O SER B 236 70.621 -16.603 11.812 1.00 0.00 O ATOM 1828 CB SER B 236 70.804 -13.652 10.425 1.00 0.00 C ATOM 1829 OG SER B 236 71.587 -12.470 10.360 1.00 0.00 O ATOM 0 H SER B 236 72.535 -14.202 8.766 1.00 0.00 H new ATOM 0 HA SER B 236 72.320 -14.739 11.498 1.00 0.00 H new ATOM 0 HB2 SER B 236 70.207 -13.757 9.519 1.00 0.00 H new ATOM 0 HB3 SER B 236 70.107 -13.595 11.261 1.00 0.00 H new ATOM 0 HG SER B 236 70.999 -11.694 10.252 1.00 0.00 H new ATOM 1835 N VAL B 237 70.490 -16.668 9.555 1.00 0.00 N ATOM 1836 CA VAL B 237 69.682 -17.887 9.520 1.00 0.00 C ATOM 1837 C VAL B 237 70.475 -19.017 8.864 1.00 0.00 C ATOM 1838 O VAL B 237 71.015 -18.855 7.769 1.00 0.00 O ATOM 1839 CB VAL B 237 68.376 -17.637 8.736 1.00 0.00 C ATOM 1840 CG1 VAL B 237 67.486 -18.887 8.772 1.00 0.00 C ATOM 1841 CG2 VAL B 237 67.606 -16.461 9.354 1.00 0.00 C ATOM 0 H VAL B 237 70.711 -16.282 8.637 1.00 0.00 H new ATOM 0 HA VAL B 237 69.430 -18.173 10.541 1.00 0.00 H new ATOM 0 HB VAL B 237 68.636 -17.404 7.703 1.00 0.00 H new ATOM 0 HG11 VAL B 237 66.568 -18.697 8.215 1.00 0.00 H new ATOM 0 HG12 VAL B 237 68.017 -19.725 8.320 1.00 0.00 H new ATOM 0 HG13 VAL B 237 67.239 -19.128 9.806 1.00 0.00 H new ATOM 0 HG21 VAL B 237 66.686 -16.293 8.793 1.00 0.00 H new ATOM 0 HG22 VAL B 237 67.362 -16.691 10.391 1.00 0.00 H new ATOM 0 HG23 VAL B 237 68.222 -15.563 9.317 1.00 0.00 H new ATOM 1851 N HIS B 238 70.519 -20.160 9.546 1.00 0.00 N ATOM 1852 CA HIS B 238 71.228 -21.332 9.038 1.00 0.00 C ATOM 1853 C HIS B 238 70.495 -21.918 7.830 1.00 0.00 C ATOM 1854 O HIS B 238 71.126 -22.356 6.865 1.00 0.00 O ATOM 1855 CB HIS B 238 71.348 -22.393 10.137 1.00 0.00 C ATOM 1856 CG HIS B 238 72.344 -21.938 11.171 1.00 0.00 C ATOM 1857 ND1 HIS B 238 73.708 -21.930 10.929 1.00 0.00 N ATOM 1858 CD2 HIS B 238 72.188 -21.467 12.451 1.00 0.00 C ATOM 1859 CE1 HIS B 238 74.315 -21.467 12.037 1.00 0.00 C ATOM 1860 NE2 HIS B 238 73.433 -21.169 12.996 1.00 0.00 N ATOM 0 H HIS B 238 70.072 -20.299 10.452 1.00 0.00 H new ATOM 0 HA HIS B 238 72.227 -21.024 8.728 1.00 0.00 H new ATOM 0 HB2 HIS B 238 70.377 -22.561 10.602 1.00 0.00 H new ATOM 0 HB3 HIS B 238 71.664 -23.343 9.706 1.00 0.00 H new ATOM 0 HD2 HIS B 238 71.242 -21.346 12.958 1.00 0.00 H new ATOM 0 HE1 HIS B 238 75.384 -21.350 12.139 1.00 0.00 H new ATOM 0 HE2 HIS B 238 73.630 -20.802 13.927 1.00 0.00 H new ATOM 1868 N LYS B 239 69.161 -21.922 7.898 1.00 0.00 N ATOM 1869 CA LYS B 239 68.338 -22.458 6.815 1.00 0.00 C ATOM 1870 C LYS B 239 68.574 -21.684 5.525 1.00 0.00 C ATOM 1871 O LYS B 239 68.650 -22.275 4.442 1.00 0.00 O ATOM 1872 CB LYS B 239 66.857 -22.374 7.195 1.00 0.00 C ATOM 1873 CG LYS B 239 66.571 -23.325 8.357 1.00 0.00 C ATOM 1874 CD LYS B 239 65.094 -23.233 8.747 1.00 0.00 C ATOM 1875 CE LYS B 239 64.826 -24.124 9.960 1.00 0.00 C ATOM 1876 NZ LYS B 239 64.942 -25.556 9.560 1.00 0.00 N ATOM 0 H LYS B 239 68.630 -21.560 8.691 1.00 0.00 H new ATOM 0 HA LYS B 239 68.617 -23.500 6.656 1.00 0.00 H new ATOM 0 HB2 LYS B 239 66.601 -21.353 7.476 1.00 0.00 H new ATOM 0 HB3 LYS B 239 66.236 -22.634 6.338 1.00 0.00 H new ATOM 0 HG2 LYS B 239 66.819 -24.348 8.072 1.00 0.00 H new ATOM 0 HG3 LYS B 239 67.199 -23.071 9.211 1.00 0.00 H new ATOM 0 HD2 LYS B 239 64.832 -22.200 8.977 1.00 0.00 H new ATOM 0 HD3 LYS B 239 64.467 -23.542 7.911 1.00 0.00 H new ATOM 0 HE2 LYS B 239 65.537 -23.898 10.755 1.00 0.00 H new ATOM 0 HE3 LYS B 239 63.831 -23.926 10.357 1.00 0.00 H new ATOM 0 HZ1 LYS B 239 64.535 -26.158 10.304 1.00 0.00 H new ATOM 0 HZ2 LYS B 239 64.428 -25.710 8.669 1.00 0.00 H new ATOM 0 HZ3 LYS B 239 65.944 -25.799 9.428 1.00 0.00 H new ATOM 1890 N ARG B 240 68.689 -20.358 5.649 1.00 0.00 N ATOM 1891 CA ARG B 240 68.917 -19.496 4.488 1.00 0.00 C ATOM 1892 C ARG B 240 67.800 -19.685 3.460 1.00 0.00 C ATOM 1893 O ARG B 240 66.850 -20.394 3.763 1.00 0.00 O ATOM 1894 CB ARG B 240 70.272 -19.827 3.850 1.00 0.00 C ATOM 1895 CG ARG B 240 71.409 -19.422 4.793 1.00 0.00 C ATOM 1896 CD ARG B 240 72.745 -19.861 4.190 1.00 0.00 C ATOM 1897 NE ARG B 240 72.841 -21.329 4.183 1.00 0.00 N ATOM 1898 CZ ARG B 240 73.870 -21.987 3.617 1.00 0.00 C ATOM 1899 NH1 ARG B 240 74.856 -21.348 3.030 1.00 0.00 N ATOM 1900 NH2 ARG B 240 73.887 -23.291 3.653 1.00 0.00 N ATOM 1901 OXT ARG B 240 67.905 -19.116 2.386 1.00 0.00 O ATOM 0 H ARG B 240 68.628 -19.861 6.538 1.00 0.00 H new ATOM 0 HA ARG B 240 68.920 -18.457 4.818 1.00 0.00 H new ATOM 0 HB2 ARG B 240 70.330 -20.894 3.634 1.00 0.00 H new ATOM 0 HB3 ARG B 240 70.373 -19.303 2.899 1.00 0.00 H new ATOM 0 HG2 ARG B 240 71.403 -18.343 4.946 1.00 0.00 H new ATOM 0 HG3 ARG B 240 71.269 -19.884 5.770 1.00 0.00 H new ATOM 0 HD2 ARG B 240 72.837 -19.478 3.173 1.00 0.00 H new ATOM 0 HD3 ARG B 240 73.569 -19.438 4.765 1.00 0.00 H new ATOM 0 HE ARG B 240 72.098 -21.870 4.625 1.00 0.00 H new ATOM 0 HH11 ARG B 240 74.854 -20.329 2.995 1.00 0.00 H new ATOM 0 HH12 ARG B 240 75.624 -21.871 2.609 1.00 0.00 H new ATOM 0 HH21 ARG B 240 73.127 -23.799 4.106 1.00 0.00 H new ATOM 0 HH22 ARG B 240 74.660 -23.803 3.228 1.00 0.00 H new TER 1915 ARG B 240 HETATM 1916 ZN ZN B 300 96.800 -12.084 2.788 1.00 0.00 ZN