USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 824 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 175:sc= -0.143 (180deg=-0.17) USER MOD Single : A 3 LYS NZ :NH3+ 167:sc= -0.0139 (180deg=-0.176) USER MOD Single : A 5 GLN : amide:sc= -0.0174 X(o=-0.017,f=-0.11) USER MOD Single : A 12 HIS : no HD1:sc= -0.334 X(o=-0.33,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -178:sc= -2.2! (180deg=-2.3!) USER MOD Single : A 24 MET CE :methyl -172:sc=-0.00445 (180deg=-0.0551) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 161:sc= -0.164 (180deg=-1.04) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.368 F(o=-2.8!,f=-0.37) USER MOD Single : A 31 TYR OH : rot -146:sc= 0.959 USER MOD Single : A 38 SER OG : rot 180:sc= -0.0275 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -108:sc= -0.265 (180deg=-0.74) USER MOD Single : A 52 HIS : no HE2:sc= -0.253 K(o=-0.25,f=-2.2!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -165:sc= 0.942 (180deg=0.538) USER MOD Single : A 65 ASN : amide:sc= -1.58! X(o=-1.6!,f=-1.1) USER MOD Single : A 70 SER OG : rot 180:sc= -0.203 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.376 K(o=-0.38,f=-2.6) USER MOD Single : A 77 CYS SG : rot 2:sc= -4.27! USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -120:sc= -1.36 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 167:sc=-0.00445 (180deg=-0.116) USER MOD Single : A 94 LYS NZ :NH3+ -170:sc= -0.047 (180deg=-0.24) USER MOD Single : A 95 CYS SG : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -0.182 X(o=-0.18,f=-0.26) USER MOD Single : A 100 HIS : no HE2:sc= 0.0391 K(o=0.039,f=-1.5) USER MOD Single : A 101 HIS : no HD1:sc= -0.0424 X(o=-0.042,f=0) USER MOD Single : A 102 HIS : no HD1:sc= -0.0331 X(o=-0.033,f=-0.041) USER MOD Single : A 103 HIS : no HD1:sc= -0.0228 X(o=-0.023,f=-0.023) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.241 2.403 1.204 1.00 75.12 N ATOM 2 CA MET A 1 4.055 2.722 0.357 1.00 53.11 C ATOM 3 C MET A 1 3.382 1.454 -0.202 1.00 1.34 C ATOM 4 O MET A 1 2.360 1.539 -0.881 1.00 52.13 O ATOM 5 CB MET A 1 4.460 3.645 -0.804 1.00 23.31 C ATOM 6 CG MET A 1 5.449 3.017 -1.778 1.00 44.44 C ATOM 7 SD MET A 1 5.860 4.115 -3.148 1.00 22.24 S ATOM 8 CE MET A 1 6.979 3.081 -4.094 1.00 72.23 C ATOM 0 H1 MET A 1 5.712 3.286 1.489 1.00 75.12 H new ATOM 0 H2 MET A 1 4.933 1.886 2.052 1.00 75.12 H new ATOM 0 H3 MET A 1 5.906 1.815 0.662 1.00 75.12 H new ATOM 0 HA MET A 1 3.333 3.229 0.996 1.00 53.11 H new ATOM 0 HB2 MET A 1 3.564 3.939 -1.351 1.00 23.31 H new ATOM 0 HB3 MET A 1 4.897 4.556 -0.395 1.00 23.31 H new ATOM 0 HG2 MET A 1 6.361 2.751 -1.244 1.00 44.44 H new ATOM 0 HG3 MET A 1 5.029 2.092 -2.172 1.00 44.44 H new ATOM 0 HE1 MET A 1 7.319 3.625 -4.975 1.00 72.23 H new ATOM 0 HE2 MET A 1 7.838 2.815 -3.478 1.00 72.23 H new ATOM 0 HE3 MET A 1 6.461 2.174 -4.405 1.00 72.23 H new ATOM 20 N ALA A 2 3.953 0.284 0.078 1.00 30.54 N ATOM 21 CA ALA A 2 3.418 -0.980 -0.449 1.00 71.10 C ATOM 22 C ALA A 2 2.212 -1.486 0.364 1.00 74.01 C ATOM 23 O ALA A 2 1.824 -0.887 1.370 1.00 11.44 O ATOM 24 CB ALA A 2 4.519 -2.035 -0.474 1.00 21.12 C ATOM 0 H ALA A 2 4.782 0.180 0.663 1.00 30.54 H new ATOM 0 HA ALA A 2 3.065 -0.793 -1.463 1.00 71.10 H new ATOM 0 HB1 ALA A 2 4.118 -2.970 -0.865 1.00 21.12 H new ATOM 0 HB2 ALA A 2 5.335 -1.695 -1.112 1.00 21.12 H new ATOM 0 HB3 ALA A 2 4.892 -2.195 0.537 1.00 21.12 H new ATOM 30 N LYS A 3 1.616 -2.590 -0.086 1.00 51.33 N ATOM 31 CA LYS A 3 0.501 -3.225 0.632 1.00 10.23 C ATOM 32 C LYS A 3 1.020 -4.197 1.704 1.00 54.11 C ATOM 33 O LYS A 3 0.270 -4.641 2.574 1.00 23.31 O ATOM 34 CB LYS A 3 -0.403 -3.989 -0.349 1.00 13.34 C ATOM 35 CG LYS A 3 -1.009 -3.124 -1.450 1.00 61.13 C ATOM 36 CD LYS A 3 -1.936 -3.937 -2.351 1.00 61.12 C ATOM 37 CE LYS A 3 -2.503 -3.105 -3.493 1.00 22.13 C ATOM 38 NZ LYS A 3 -1.437 -2.585 -4.390 1.00 60.21 N ATOM 0 H LYS A 3 1.885 -3.067 -0.946 1.00 51.33 H new ATOM 0 HA LYS A 3 -0.074 -2.436 1.117 1.00 10.23 H new ATOM 0 HB2 LYS A 3 0.176 -4.790 -0.810 1.00 13.34 H new ATOM 0 HB3 LYS A 3 -1.210 -4.461 0.211 1.00 13.34 H new ATOM 0 HG2 LYS A 3 -1.565 -2.300 -1.003 1.00 61.13 H new ATOM 0 HG3 LYS A 3 -0.212 -2.683 -2.049 1.00 61.13 H new ATOM 0 HD2 LYS A 3 -1.389 -4.787 -2.760 1.00 61.12 H new ATOM 0 HD3 LYS A 3 -2.755 -4.341 -1.756 1.00 61.12 H new ATOM 0 HE2 LYS A 3 -3.199 -3.712 -4.072 1.00 22.13 H new ATOM 0 HE3 LYS A 3 -3.072 -2.270 -3.085 1.00 22.13 H new ATOM 0 HZ1 LYS A 3 -1.867 -2.217 -5.263 1.00 60.21 H new ATOM 0 HZ2 LYS A 3 -0.921 -1.820 -3.909 1.00 60.21 H new ATOM 0 HZ3 LYS A 3 -0.777 -3.353 -4.626 1.00 60.21 H new ATOM 52 N ALA A 4 2.309 -4.533 1.626 1.00 31.21 N ATOM 53 CA ALA A 4 2.923 -5.478 2.562 1.00 13.03 C ATOM 54 C ALA A 4 2.996 -4.905 3.989 1.00 74.03 C ATOM 55 O ALA A 4 4.009 -4.327 4.392 1.00 2.54 O ATOM 56 CB ALA A 4 4.310 -5.889 2.069 1.00 40.22 C ATOM 0 H ALA A 4 2.949 -4.164 0.923 1.00 31.21 H new ATOM 0 HA ALA A 4 2.289 -6.364 2.603 1.00 13.03 H new ATOM 0 HB1 ALA A 4 4.754 -6.591 2.775 1.00 40.22 H new ATOM 0 HB2 ALA A 4 4.223 -6.363 1.091 1.00 40.22 H new ATOM 0 HB3 ALA A 4 4.944 -5.006 1.989 1.00 40.22 H new ATOM 62 N GLN A 5 1.902 -5.044 4.733 1.00 65.53 N ATOM 63 CA GLN A 5 1.840 -4.598 6.128 1.00 32.04 C ATOM 64 C GLN A 5 2.389 -5.673 7.082 1.00 20.22 C ATOM 65 O GLN A 5 2.027 -6.848 6.980 1.00 15.31 O ATOM 66 CB GLN A 5 0.391 -4.255 6.508 1.00 12.04 C ATOM 67 CG GLN A 5 -0.179 -3.064 5.743 1.00 63.11 C ATOM 68 CD GLN A 5 0.510 -1.757 6.100 1.00 43.33 C ATOM 69 OE1 GLN A 5 1.507 -1.378 5.498 1.00 62.21 O ATOM 70 NE2 GLN A 5 -0.022 -1.053 7.079 1.00 54.14 N ATOM 0 H GLN A 5 1.038 -5.465 4.392 1.00 65.53 H new ATOM 0 HA GLN A 5 2.461 -3.707 6.224 1.00 32.04 H new ATOM 0 HB2 GLN A 5 -0.238 -5.126 6.327 1.00 12.04 H new ATOM 0 HB3 GLN A 5 0.345 -4.045 7.577 1.00 12.04 H new ATOM 0 HG2 GLN A 5 -0.079 -3.243 4.672 1.00 63.11 H new ATOM 0 HG3 GLN A 5 -1.245 -2.978 5.953 1.00 63.11 H new ATOM 0 HE21 GLN A 5 -0.853 -1.396 7.561 1.00 54.14 H new ATOM 0 HE22 GLN A 5 0.397 -0.165 7.355 1.00 54.14 H new ATOM 79 N PRO A 6 3.272 -5.285 8.025 1.00 3.45 N ATOM 80 CA PRO A 6 3.828 -6.219 9.019 1.00 32.41 C ATOM 81 C PRO A 6 2.752 -6.775 9.969 1.00 24.13 C ATOM 82 O PRO A 6 1.638 -6.246 10.052 1.00 74.51 O ATOM 83 CB PRO A 6 4.849 -5.359 9.788 1.00 53.11 C ATOM 84 CG PRO A 6 4.393 -3.954 9.579 1.00 30.02 C ATOM 85 CD PRO A 6 3.799 -3.917 8.198 1.00 23.12 C ATOM 0 HA PRO A 6 4.267 -7.100 8.551 1.00 32.41 H new ATOM 0 HB2 PRO A 6 4.866 -5.617 10.847 1.00 53.11 H new ATOM 0 HB3 PRO A 6 5.859 -5.508 9.407 1.00 53.11 H new ATOM 0 HG2 PRO A 6 3.656 -3.666 10.329 1.00 30.02 H new ATOM 0 HG3 PRO A 6 5.226 -3.256 9.665 1.00 30.02 H new ATOM 0 HD2 PRO A 6 3.011 -3.168 8.118 1.00 23.12 H new ATOM 0 HD3 PRO A 6 4.547 -3.675 7.443 1.00 23.12 H new ATOM 93 N ILE A 7 3.088 -7.842 10.690 1.00 3.14 N ATOM 94 CA ILE A 7 2.140 -8.478 11.611 1.00 52.53 C ATOM 95 C ILE A 7 2.026 -7.671 12.917 1.00 14.44 C ATOM 96 O ILE A 7 2.855 -7.804 13.816 1.00 71.42 O ATOM 97 CB ILE A 7 2.538 -9.953 11.932 1.00 70.43 C ATOM 98 CG1 ILE A 7 2.453 -10.843 10.670 1.00 74.12 C ATOM 99 CG2 ILE A 7 1.651 -10.525 13.043 1.00 23.14 C ATOM 100 CD1 ILE A 7 3.470 -10.516 9.592 1.00 11.35 C ATOM 0 H ILE A 7 4.006 -8.286 10.657 1.00 3.14 H new ATOM 0 HA ILE A 7 1.171 -8.493 11.112 1.00 52.53 H new ATOM 0 HB ILE A 7 3.572 -9.948 12.277 1.00 70.43 H new ATOM 0 HG12 ILE A 7 2.581 -11.884 10.967 1.00 74.12 H new ATOM 0 HG13 ILE A 7 1.453 -10.753 10.246 1.00 74.12 H new ATOM 0 HG21 ILE A 7 1.946 -11.554 13.251 1.00 23.14 H new ATOM 0 HG22 ILE A 7 1.766 -9.925 13.946 1.00 23.14 H new ATOM 0 HG23 ILE A 7 0.609 -10.504 12.724 1.00 23.14 H new ATOM 0 HD11 ILE A 7 3.334 -11.191 8.747 1.00 11.35 H new ATOM 0 HD12 ILE A 7 3.331 -9.487 9.261 1.00 11.35 H new ATOM 0 HD13 ILE A 7 4.476 -10.635 9.993 1.00 11.35 H new ATOM 112 N GLU A 8 1.015 -6.810 13.001 1.00 62.31 N ATOM 113 CA GLU A 8 0.808 -5.976 14.190 1.00 23.00 C ATOM 114 C GLU A 8 -0.148 -6.647 15.188 1.00 62.10 C ATOM 115 O GLU A 8 -1.299 -6.943 14.859 1.00 74.20 O ATOM 116 CB GLU A 8 0.245 -4.606 13.793 1.00 24.31 C ATOM 117 CG GLU A 8 0.122 -3.640 14.970 1.00 73.42 C ATOM 118 CD GLU A 8 -0.722 -2.413 14.655 1.00 23.33 C ATOM 119 OE1 GLU A 8 -0.166 -1.400 14.180 1.00 60.04 O ATOM 120 OE2 GLU A 8 -1.948 -2.455 14.900 1.00 75.42 O ATOM 0 H GLU A 8 0.325 -6.669 12.263 1.00 62.31 H new ATOM 0 HA GLU A 8 1.778 -5.848 14.670 1.00 23.00 H new ATOM 0 HB2 GLU A 8 0.889 -4.162 13.033 1.00 24.31 H new ATOM 0 HB3 GLU A 8 -0.737 -4.742 13.339 1.00 24.31 H new ATOM 0 HG2 GLU A 8 -0.316 -4.166 15.819 1.00 73.42 H new ATOM 0 HG3 GLU A 8 1.118 -3.319 15.274 1.00 73.42 H new ATOM 127 N ILE A 9 0.336 -6.890 16.405 1.00 35.35 N ATOM 128 CA ILE A 9 -0.491 -7.454 17.477 1.00 23.20 C ATOM 129 C ILE A 9 -0.305 -6.669 18.788 1.00 44.33 C ATOM 130 O ILE A 9 0.792 -6.642 19.351 1.00 22.14 O ATOM 131 CB ILE A 9 -0.153 -8.946 17.732 1.00 5.14 C ATOM 132 CG1 ILE A 9 -0.292 -9.767 16.437 1.00 24.42 C ATOM 133 CG2 ILE A 9 -1.051 -9.515 18.833 1.00 2.21 C ATOM 134 CD1 ILE A 9 0.099 -11.225 16.587 1.00 65.13 C ATOM 0 H ILE A 9 1.302 -6.705 16.677 1.00 35.35 H new ATOM 0 HA ILE A 9 -1.528 -7.376 17.149 1.00 23.20 H new ATOM 0 HB ILE A 9 0.883 -9.012 18.063 1.00 5.14 H new ATOM 0 HG12 ILE A 9 -1.325 -9.712 16.093 1.00 24.42 H new ATOM 0 HG13 ILE A 9 0.327 -9.313 15.663 1.00 24.42 H new ATOM 0 HG21 ILE A 9 -0.802 -10.563 19.000 1.00 2.21 H new ATOM 0 HG22 ILE A 9 -0.897 -8.954 19.755 1.00 2.21 H new ATOM 0 HG23 ILE A 9 -2.095 -9.434 18.529 1.00 2.21 H new ATOM 0 HD11 ILE A 9 -0.026 -11.735 15.632 1.00 65.13 H new ATOM 0 HD12 ILE A 9 1.141 -11.292 16.900 1.00 65.13 H new ATOM 0 HD13 ILE A 9 -0.536 -11.697 17.337 1.00 65.13 H new ATOM 146 N ALA A 10 -1.372 -6.011 19.250 1.00 15.03 N ATOM 147 CA ALA A 10 -1.363 -5.290 20.537 1.00 52.45 C ATOM 148 C ALA A 10 -0.310 -4.168 20.577 1.00 11.40 C ATOM 149 O ALA A 10 0.230 -3.845 21.636 1.00 4.53 O ATOM 150 CB ALA A 10 -1.139 -6.273 21.687 1.00 70.05 C ATOM 0 H ALA A 10 -2.261 -5.960 18.752 1.00 15.03 H new ATOM 0 HA ALA A 10 -2.337 -4.814 20.649 1.00 52.45 H new ATOM 0 HB1 ALA A 10 -1.134 -5.731 22.633 1.00 70.05 H new ATOM 0 HB2 ALA A 10 -1.941 -7.011 21.696 1.00 70.05 H new ATOM 0 HB3 ALA A 10 -0.182 -6.778 21.553 1.00 70.05 H new ATOM 156 N GLY A 11 -0.036 -3.562 19.427 1.00 31.34 N ATOM 157 CA GLY A 11 0.976 -2.508 19.352 1.00 3.01 C ATOM 158 C GLY A 11 2.389 -3.049 19.149 1.00 3.33 C ATOM 159 O GLY A 11 3.370 -2.309 19.235 1.00 51.23 O ATOM 0 H GLY A 11 -0.493 -3.777 18.541 1.00 31.34 H new ATOM 0 HA2 GLY A 11 0.730 -1.834 18.532 1.00 3.01 H new ATOM 0 HA3 GLY A 11 0.947 -1.919 20.268 1.00 3.01 H new ATOM 163 N HIS A 12 2.494 -4.353 18.903 1.00 64.42 N ATOM 164 CA HIS A 12 3.780 -4.986 18.597 1.00 34.04 C ATOM 165 C HIS A 12 3.842 -5.352 17.107 1.00 71.34 C ATOM 166 O HIS A 12 3.178 -6.289 16.664 1.00 3.13 O ATOM 167 CB HIS A 12 3.977 -6.247 19.453 1.00 13.32 C ATOM 168 CG HIS A 12 3.836 -6.013 20.931 1.00 20.54 C ATOM 169 ND1 HIS A 12 4.897 -5.693 21.753 1.00 34.01 N ATOM 170 CD2 HIS A 12 2.749 -6.070 21.740 1.00 24.34 C ATOM 171 CE1 HIS A 12 4.472 -5.569 22.995 1.00 30.15 C ATOM 172 NE2 HIS A 12 3.176 -5.790 23.012 1.00 43.13 N ATOM 0 H HIS A 12 1.702 -4.996 18.909 1.00 64.42 H new ATOM 0 HA HIS A 12 4.578 -4.280 18.827 1.00 34.04 H new ATOM 0 HB2 HIS A 12 3.252 -7.000 19.144 1.00 13.32 H new ATOM 0 HB3 HIS A 12 4.967 -6.658 19.254 1.00 13.32 H new ATOM 0 HD2 HIS A 12 1.736 -6.294 21.438 1.00 24.34 H new ATOM 0 HE1 HIS A 12 5.084 -5.327 23.852 1.00 30.15 H new ATOM 0 HE2 HIS A 12 2.582 -5.758 23.841 1.00 43.13 H new ATOM 181 N GLU A 13 4.617 -4.596 16.336 1.00 54.43 N ATOM 182 CA GLU A 13 4.739 -4.837 14.895 1.00 34.01 C ATOM 183 C GLU A 13 5.884 -5.820 14.584 1.00 41.14 C ATOM 184 O GLU A 13 7.060 -5.532 14.819 1.00 5.25 O ATOM 185 CB GLU A 13 4.928 -3.513 14.117 1.00 13.25 C ATOM 186 CG GLU A 13 6.188 -2.711 14.466 1.00 24.03 C ATOM 187 CD GLU A 13 6.082 -1.941 15.776 1.00 44.52 C ATOM 188 OE1 GLU A 13 6.426 -2.501 16.835 1.00 33.44 O ATOM 189 OE2 GLU A 13 5.660 -0.764 15.750 1.00 50.01 O ATOM 0 H GLU A 13 5.171 -3.812 16.680 1.00 54.43 H new ATOM 0 HA GLU A 13 3.806 -5.293 14.563 1.00 34.01 H new ATOM 0 HB2 GLU A 13 4.947 -3.739 13.051 1.00 13.25 H new ATOM 0 HB3 GLU A 13 4.057 -2.882 14.294 1.00 13.25 H new ATOM 0 HG2 GLU A 13 7.037 -3.392 14.523 1.00 24.03 H new ATOM 0 HG3 GLU A 13 6.396 -2.009 13.658 1.00 24.03 H new ATOM 196 N PHE A 14 5.528 -6.990 14.065 1.00 22.05 N ATOM 197 CA PHE A 14 6.510 -8.019 13.708 1.00 63.43 C ATOM 198 C PHE A 14 6.865 -7.957 12.215 1.00 51.32 C ATOM 199 O PHE A 14 5.980 -7.914 11.357 1.00 73.44 O ATOM 200 CB PHE A 14 5.966 -9.405 14.067 1.00 42.15 C ATOM 201 CG PHE A 14 5.642 -9.554 15.532 1.00 70.02 C ATOM 202 CD1 PHE A 14 6.643 -9.831 16.451 1.00 61.13 C ATOM 203 CD2 PHE A 14 4.340 -9.412 15.992 1.00 55.03 C ATOM 204 CE1 PHE A 14 6.353 -9.965 17.795 1.00 14.44 C ATOM 205 CE2 PHE A 14 4.046 -9.545 17.335 1.00 60.03 C ATOM 206 CZ PHE A 14 5.054 -9.822 18.238 1.00 1.52 C ATOM 0 H PHE A 14 4.561 -7.255 13.879 1.00 22.05 H new ATOM 0 HA PHE A 14 7.422 -7.832 14.276 1.00 63.43 H new ATOM 0 HB2 PHE A 14 5.067 -9.599 13.481 1.00 42.15 H new ATOM 0 HB3 PHE A 14 6.699 -10.160 13.785 1.00 42.15 H new ATOM 0 HD1 PHE A 14 7.662 -9.943 16.112 1.00 61.13 H new ATOM 0 HD2 PHE A 14 3.547 -9.195 15.291 1.00 55.03 H new ATOM 0 HE1 PHE A 14 7.143 -10.182 18.499 1.00 14.44 H new ATOM 0 HE2 PHE A 14 3.028 -9.432 17.679 1.00 60.03 H new ATOM 0 HZ PHE A 14 4.826 -9.926 19.288 1.00 1.52 H new ATOM 216 N ALA A 15 8.164 -7.975 11.915 1.00 11.11 N ATOM 217 CA ALA A 15 8.657 -7.835 10.536 1.00 61.42 C ATOM 218 C ALA A 15 8.286 -9.030 9.640 1.00 62.32 C ATOM 219 O ALA A 15 8.450 -8.974 8.419 1.00 25.32 O ATOM 220 CB ALA A 15 10.167 -7.640 10.543 1.00 73.24 C ATOM 0 H ALA A 15 8.902 -8.086 12.611 1.00 11.11 H new ATOM 0 HA ALA A 15 8.167 -6.958 10.112 1.00 61.42 H new ATOM 0 HB1 ALA A 15 10.525 -7.537 9.519 1.00 73.24 H new ATOM 0 HB2 ALA A 15 10.415 -6.740 11.106 1.00 73.24 H new ATOM 0 HB3 ALA A 15 10.643 -8.503 11.009 1.00 73.24 H new ATOM 226 N ARG A 16 7.803 -10.107 10.247 1.00 71.21 N ATOM 227 CA ARG A 16 7.401 -11.312 9.509 1.00 64.31 C ATOM 228 C ARG A 16 6.558 -12.231 10.402 1.00 14.12 C ATOM 229 O ARG A 16 6.595 -12.118 11.629 1.00 72.53 O ATOM 230 CB ARG A 16 8.642 -12.059 8.985 1.00 12.43 C ATOM 231 CG ARG A 16 9.636 -12.453 10.076 1.00 30.43 C ATOM 232 CD ARG A 16 10.936 -13.013 9.506 1.00 63.53 C ATOM 233 NE ARG A 16 11.902 -13.324 10.560 1.00 51.53 N ATOM 234 CZ ARG A 16 12.962 -12.606 10.831 1.00 70.10 C ATOM 235 NH1 ARG A 16 13.264 -11.574 10.107 1.00 33.01 N ATOM 236 NH2 ARG A 16 13.736 -12.943 11.811 1.00 43.44 N ATOM 0 H ARG A 16 7.677 -10.176 11.257 1.00 71.21 H new ATOM 0 HA ARG A 16 6.794 -11.010 8.656 1.00 64.31 H new ATOM 0 HB2 ARG A 16 8.318 -12.958 8.461 1.00 12.43 H new ATOM 0 HB3 ARG A 16 9.150 -11.430 8.254 1.00 12.43 H new ATOM 0 HG2 ARG A 16 9.859 -11.582 10.692 1.00 30.43 H new ATOM 0 HG3 ARG A 16 9.179 -13.197 10.729 1.00 30.43 H new ATOM 0 HD2 ARG A 16 10.722 -13.914 8.931 1.00 63.53 H new ATOM 0 HD3 ARG A 16 11.371 -12.290 8.816 1.00 63.53 H new ATOM 0 HE ARG A 16 11.738 -14.159 11.123 1.00 51.53 H new ATOM 0 HH11 ARG A 16 12.673 -11.315 9.317 1.00 33.01 H new ATOM 0 HH12 ARG A 16 14.093 -11.021 10.327 1.00 33.01 H new ATOM 0 HH21 ARG A 16 13.520 -13.767 12.371 1.00 43.44 H new ATOM 0 HH22 ARG A 16 14.563 -12.384 12.023 1.00 43.44 H new ATOM 250 N LYS A 17 5.798 -13.136 9.794 1.00 45.34 N ATOM 251 CA LYS A 17 4.943 -14.054 10.556 1.00 23.13 C ATOM 252 C LYS A 17 5.781 -14.905 11.526 1.00 20.04 C ATOM 253 O LYS A 17 5.400 -15.104 12.681 1.00 52.35 O ATOM 254 CB LYS A 17 4.136 -14.956 9.599 1.00 23.43 C ATOM 255 CG LYS A 17 2.669 -15.124 9.990 1.00 65.45 C ATOM 256 CD LYS A 17 2.499 -15.874 11.309 1.00 62.11 C ATOM 257 CE LYS A 17 1.031 -15.960 11.714 1.00 51.54 C ATOM 258 NZ LYS A 17 0.811 -16.884 12.860 1.00 34.41 N ATOM 0 H LYS A 17 5.753 -13.257 8.782 1.00 45.34 H new ATOM 0 HA LYS A 17 4.244 -13.461 11.145 1.00 23.13 H new ATOM 0 HB2 LYS A 17 4.187 -14.539 8.593 1.00 23.43 H new ATOM 0 HB3 LYS A 17 4.606 -15.939 9.561 1.00 23.43 H new ATOM 0 HG2 LYS A 17 2.203 -14.142 10.071 1.00 65.45 H new ATOM 0 HG3 LYS A 17 2.145 -15.661 9.200 1.00 65.45 H new ATOM 0 HD2 LYS A 17 2.911 -16.878 11.214 1.00 62.11 H new ATOM 0 HD3 LYS A 17 3.065 -15.370 12.092 1.00 62.11 H new ATOM 0 HE2 LYS A 17 0.671 -14.966 11.978 1.00 51.54 H new ATOM 0 HE3 LYS A 17 0.441 -16.296 10.861 1.00 51.54 H new ATOM 0 HZ1 LYS A 17 -0.205 -16.934 13.075 1.00 34.41 H new ATOM 0 HZ2 LYS A 17 1.160 -17.832 12.613 1.00 34.41 H new ATOM 0 HZ3 LYS A 17 1.324 -16.532 13.693 1.00 34.41 H new ATOM 272 N ALA A 18 6.932 -15.381 11.049 1.00 1.51 N ATOM 273 CA ALA A 18 7.862 -16.161 11.876 1.00 65.31 C ATOM 274 C ALA A 18 8.394 -15.341 13.065 1.00 63.54 C ATOM 275 O ALA A 18 8.785 -15.896 14.092 1.00 53.24 O ATOM 276 CB ALA A 18 9.019 -16.673 11.024 1.00 33.50 C ATOM 0 H ALA A 18 7.246 -15.240 10.089 1.00 1.51 H new ATOM 0 HA ALA A 18 7.313 -17.010 12.283 1.00 65.31 H new ATOM 0 HB1 ALA A 18 9.702 -17.250 11.647 1.00 33.50 H new ATOM 0 HB2 ALA A 18 8.631 -17.308 10.227 1.00 33.50 H new ATOM 0 HB3 ALA A 18 9.552 -15.828 10.588 1.00 33.50 H new ATOM 282 N ASP A 19 8.397 -14.018 12.922 1.00 21.20 N ATOM 283 CA ASP A 19 8.819 -13.118 14.000 1.00 1.20 C ATOM 284 C ASP A 19 7.764 -13.110 15.122 1.00 63.31 C ATOM 285 O ASP A 19 8.093 -13.176 16.309 1.00 53.13 O ATOM 286 CB ASP A 19 9.037 -11.707 13.431 1.00 45.44 C ATOM 287 CG ASP A 19 9.663 -10.743 14.421 1.00 33.12 C ATOM 288 OD1 ASP A 19 10.405 -11.197 15.314 1.00 13.24 O ATOM 289 OD2 ASP A 19 9.428 -9.523 14.297 1.00 34.23 O ATOM 0 H ASP A 19 8.111 -13.541 12.067 1.00 21.20 H new ATOM 0 HA ASP A 19 9.759 -13.468 14.426 1.00 1.20 H new ATOM 0 HB2 ASP A 19 9.675 -11.774 12.549 1.00 45.44 H new ATOM 0 HB3 ASP A 19 8.079 -11.305 13.102 1.00 45.44 H new ATOM 294 N ALA A 20 6.490 -13.053 14.728 1.00 23.44 N ATOM 295 CA ALA A 20 5.374 -13.168 15.676 1.00 61.21 C ATOM 296 C ALA A 20 5.362 -14.549 16.349 1.00 22.13 C ATOM 297 O ALA A 20 5.126 -14.669 17.554 1.00 54.34 O ATOM 298 CB ALA A 20 4.048 -12.915 14.964 1.00 54.21 C ATOM 0 H ALA A 20 6.203 -12.928 13.757 1.00 23.44 H new ATOM 0 HA ALA A 20 5.509 -12.414 16.452 1.00 61.21 H new ATOM 0 HB1 ALA A 20 3.229 -13.003 15.678 1.00 54.21 H new ATOM 0 HB2 ALA A 20 4.050 -11.912 14.536 1.00 54.21 H new ATOM 0 HB3 ALA A 20 3.916 -13.648 14.168 1.00 54.21 H new ATOM 304 N LEU A 21 5.624 -15.590 15.558 1.00 73.45 N ATOM 305 CA LEU A 21 5.690 -16.960 16.076 1.00 0.11 C ATOM 306 C LEU A 21 6.848 -17.116 17.074 1.00 5.32 C ATOM 307 O LEU A 21 6.712 -17.790 18.094 1.00 34.04 O ATOM 308 CB LEU A 21 5.846 -17.963 14.920 1.00 5.12 C ATOM 309 CG LEU A 21 4.735 -17.917 13.854 1.00 62.33 C ATOM 310 CD1 LEU A 21 4.964 -18.973 12.776 1.00 32.10 C ATOM 311 CD2 LEU A 21 3.364 -18.091 14.497 1.00 22.10 C ATOM 0 H LEU A 21 5.794 -15.512 14.555 1.00 73.45 H new ATOM 0 HA LEU A 21 4.757 -17.168 16.600 1.00 0.11 H new ATOM 0 HB2 LEU A 21 6.803 -17.783 14.431 1.00 5.12 H new ATOM 0 HB3 LEU A 21 5.885 -18.969 15.337 1.00 5.12 H new ATOM 0 HG LEU A 21 4.768 -16.938 13.376 1.00 62.33 H new ATOM 0 HD11 LEU A 21 4.165 -18.918 12.037 1.00 32.10 H new ATOM 0 HD12 LEU A 21 5.922 -18.793 12.289 1.00 32.10 H new ATOM 0 HD13 LEU A 21 4.969 -19.963 13.232 1.00 32.10 H new ATOM 0 HD21 LEU A 21 2.594 -18.055 13.727 1.00 22.10 H new ATOM 0 HD22 LEU A 21 3.321 -19.053 15.009 1.00 22.10 H new ATOM 0 HD23 LEU A 21 3.195 -17.290 15.216 1.00 22.10 H new ATOM 323 N ALA A 22 7.984 -16.481 16.771 1.00 14.02 N ATOM 324 CA ALA A 22 9.147 -16.493 17.667 1.00 75.45 C ATOM 325 C ALA A 22 8.806 -15.877 19.032 1.00 75.52 C ATOM 326 O ALA A 22 9.151 -16.428 20.078 1.00 61.34 O ATOM 327 CB ALA A 22 10.318 -15.753 17.027 1.00 22.21 C ATOM 0 H ALA A 22 8.124 -15.951 15.911 1.00 14.02 H new ATOM 0 HA ALA A 22 9.434 -17.532 17.831 1.00 75.45 H new ATOM 0 HB1 ALA A 22 11.173 -15.770 17.703 1.00 22.21 H new ATOM 0 HB2 ALA A 22 10.587 -16.239 16.089 1.00 22.21 H new ATOM 0 HB3 ALA A 22 10.032 -14.720 16.831 1.00 22.21 H new ATOM 333 N PHE A 23 8.117 -14.734 19.010 1.00 21.31 N ATOM 334 CA PHE A 23 7.680 -14.057 20.238 1.00 34.42 C ATOM 335 C PHE A 23 6.787 -14.976 21.089 1.00 32.34 C ATOM 336 O PHE A 23 7.115 -15.291 22.236 1.00 54.40 O ATOM 337 CB PHE A 23 6.929 -12.766 19.878 1.00 51.32 C ATOM 338 CG PHE A 23 6.508 -11.938 21.072 1.00 20.44 C ATOM 339 CD1 PHE A 23 7.385 -11.029 21.648 1.00 52.13 C ATOM 340 CD2 PHE A 23 5.233 -12.062 21.611 1.00 41.13 C ATOM 341 CE1 PHE A 23 6.999 -10.264 22.734 1.00 0.45 C ATOM 342 CE2 PHE A 23 4.846 -11.300 22.698 1.00 63.03 C ATOM 343 CZ PHE A 23 5.730 -10.400 23.259 1.00 32.52 C ATOM 0 H PHE A 23 7.847 -14.254 18.151 1.00 21.31 H new ATOM 0 HA PHE A 23 8.562 -13.808 20.829 1.00 34.42 H new ATOM 0 HB2 PHE A 23 7.564 -12.157 19.234 1.00 51.32 H new ATOM 0 HB3 PHE A 23 6.042 -13.025 19.299 1.00 51.32 H new ATOM 0 HD1 PHE A 23 8.380 -10.918 21.244 1.00 52.13 H new ATOM 0 HD2 PHE A 23 4.536 -12.762 21.175 1.00 41.13 H new ATOM 0 HE1 PHE A 23 7.691 -9.560 23.171 1.00 0.45 H new ATOM 0 HE2 PHE A 23 3.853 -11.409 23.108 1.00 63.03 H new ATOM 0 HZ PHE A 23 5.429 -9.803 24.107 1.00 32.52 H new ATOM 353 N MET A 24 5.662 -15.408 20.515 1.00 45.41 N ATOM 354 CA MET A 24 4.755 -16.341 21.190 1.00 62.13 C ATOM 355 C MET A 24 5.469 -17.636 21.618 1.00 44.53 C ATOM 356 O MET A 24 5.094 -18.255 22.610 1.00 61.35 O ATOM 357 CB MET A 24 3.545 -16.652 20.295 1.00 61.22 C ATOM 358 CG MET A 24 2.509 -15.534 20.276 1.00 12.34 C ATOM 359 SD MET A 24 1.132 -15.864 19.157 1.00 71.45 S ATOM 360 CE MET A 24 1.894 -15.561 17.564 1.00 45.23 C ATOM 0 H MET A 24 5.356 -15.127 19.583 1.00 45.41 H new ATOM 0 HA MET A 24 4.403 -15.856 22.101 1.00 62.13 H new ATOM 0 HB2 MET A 24 3.891 -16.835 19.278 1.00 61.22 H new ATOM 0 HB3 MET A 24 3.072 -17.571 20.641 1.00 61.22 H new ATOM 0 HG2 MET A 24 2.123 -15.388 21.285 1.00 12.34 H new ATOM 0 HG3 MET A 24 2.993 -14.603 19.982 1.00 12.34 H new ATOM 0 HE1 MET A 24 1.132 -15.586 16.785 1.00 45.23 H new ATOM 0 HE2 MET A 24 2.374 -14.582 17.571 1.00 45.23 H new ATOM 0 HE3 MET A 24 2.641 -16.330 17.366 1.00 45.23 H new ATOM 370 N LYS A 25 6.504 -18.030 20.882 1.00 32.43 N ATOM 371 CA LYS A 25 7.319 -19.190 21.258 1.00 2.02 C ATOM 372 C LYS A 25 8.093 -18.929 22.565 1.00 61.42 C ATOM 373 O LYS A 25 8.080 -19.759 23.471 1.00 62.23 O ATOM 374 CB LYS A 25 8.280 -19.556 20.112 1.00 53.01 C ATOM 375 CG LYS A 25 9.235 -20.717 20.416 1.00 12.54 C ATOM 376 CD LYS A 25 10.606 -20.236 20.903 1.00 32.42 C ATOM 377 CE LYS A 25 11.298 -19.368 19.856 1.00 44.41 C ATOM 378 NZ LYS A 25 12.706 -19.051 20.221 1.00 44.22 N ATOM 0 H LYS A 25 6.801 -17.567 20.023 1.00 32.43 H new ATOM 0 HA LYS A 25 6.653 -20.034 21.436 1.00 2.02 H new ATOM 0 HB2 LYS A 25 7.691 -19.810 19.231 1.00 53.01 H new ATOM 0 HB3 LYS A 25 8.871 -18.676 19.858 1.00 53.01 H new ATOM 0 HG2 LYS A 25 8.789 -21.361 21.174 1.00 12.54 H new ATOM 0 HG3 LYS A 25 9.363 -21.322 19.519 1.00 12.54 H new ATOM 0 HD2 LYS A 25 10.487 -19.669 21.826 1.00 32.42 H new ATOM 0 HD3 LYS A 25 11.233 -21.097 21.136 1.00 32.42 H new ATOM 0 HE2 LYS A 25 11.282 -19.881 18.894 1.00 44.41 H new ATOM 0 HE3 LYS A 25 10.740 -18.440 19.731 1.00 44.41 H new ATOM 0 HZ1 LYS A 25 13.132 -18.460 19.479 1.00 44.22 H new ATOM 0 HZ2 LYS A 25 12.723 -18.537 21.125 1.00 44.22 H new ATOM 0 HZ3 LYS A 25 13.248 -19.934 20.314 1.00 44.22 H new ATOM 392 N VAL A 26 8.747 -17.767 22.661 1.00 15.41 N ATOM 393 CA VAL A 26 9.516 -17.405 23.863 1.00 65.42 C ATOM 394 C VAL A 26 8.636 -17.446 25.126 1.00 43.01 C ATOM 395 O VAL A 26 8.955 -18.132 26.101 1.00 23.33 O ATOM 396 CB VAL A 26 10.151 -15.995 23.722 1.00 41.41 C ATOM 397 CG1 VAL A 26 10.891 -15.594 25.000 1.00 44.24 C ATOM 398 CG2 VAL A 26 11.086 -15.945 22.513 1.00 20.31 C ATOM 0 H VAL A 26 8.761 -17.061 21.925 1.00 15.41 H new ATOM 0 HA VAL A 26 10.312 -18.143 23.964 1.00 65.42 H new ATOM 0 HB VAL A 26 9.347 -15.276 23.563 1.00 41.41 H new ATOM 0 HG11 VAL A 26 11.326 -14.603 24.873 1.00 44.24 H new ATOM 0 HG12 VAL A 26 10.192 -15.579 25.836 1.00 44.24 H new ATOM 0 HG13 VAL A 26 11.684 -16.314 25.203 1.00 44.24 H new ATOM 0 HG21 VAL A 26 11.521 -14.949 22.431 1.00 20.31 H new ATOM 0 HG22 VAL A 26 11.882 -16.680 22.638 1.00 20.31 H new ATOM 0 HG23 VAL A 26 10.522 -16.171 21.608 1.00 20.31 H new ATOM 408 N MET A 27 7.528 -16.709 25.095 1.00 22.22 N ATOM 409 CA MET A 27 6.561 -16.711 26.203 1.00 61.11 C ATOM 410 C MET A 27 5.968 -18.114 26.440 1.00 62.33 C ATOM 411 O MET A 27 5.748 -18.516 27.581 1.00 72.23 O ATOM 412 CB MET A 27 5.445 -15.685 25.937 1.00 73.30 C ATOM 413 CG MET A 27 4.880 -15.748 24.526 1.00 51.35 C ATOM 414 SD MET A 27 3.701 -14.431 24.168 1.00 14.13 S ATOM 415 CE MET A 27 2.231 -15.048 24.976 1.00 52.04 C ATOM 0 H MET A 27 7.273 -16.101 24.317 1.00 22.22 H new ATOM 0 HA MET A 27 7.093 -16.426 27.111 1.00 61.11 H new ATOM 0 HB2 MET A 27 4.637 -15.847 26.650 1.00 73.30 H new ATOM 0 HB3 MET A 27 5.834 -14.683 26.119 1.00 73.30 H new ATOM 0 HG2 MET A 27 5.701 -15.695 23.811 1.00 51.35 H new ATOM 0 HG3 MET A 27 4.392 -16.712 24.380 1.00 51.35 H new ATOM 0 HE1 MET A 27 1.533 -14.227 25.138 1.00 52.04 H new ATOM 0 HE2 MET A 27 1.761 -15.805 24.348 1.00 52.04 H new ATOM 0 HE3 MET A 27 2.501 -15.489 25.935 1.00 52.04 H new ATOM 425 N LEU A 28 5.730 -18.860 25.359 1.00 4.34 N ATOM 426 CA LEU A 28 5.216 -20.236 25.457 1.00 61.31 C ATOM 427 C LEU A 28 6.198 -21.152 26.207 1.00 24.11 C ATOM 428 O LEU A 28 5.793 -21.996 27.004 1.00 22.12 O ATOM 429 CB LEU A 28 4.951 -20.804 24.055 1.00 72.01 C ATOM 430 CG LEU A 28 4.321 -22.206 24.011 1.00 64.00 C ATOM 431 CD1 LEU A 28 2.912 -22.187 24.601 1.00 41.24 C ATOM 432 CD2 LEU A 28 4.305 -22.741 22.581 1.00 33.21 C ATOM 0 H LEU A 28 5.884 -18.538 24.403 1.00 4.34 H new ATOM 0 HA LEU A 28 4.283 -20.201 26.020 1.00 61.31 H new ATOM 0 HB2 LEU A 28 4.296 -20.115 23.522 1.00 72.01 H new ATOM 0 HB3 LEU A 28 5.895 -20.833 23.510 1.00 72.01 H new ATOM 0 HG LEU A 28 4.931 -22.875 24.619 1.00 64.00 H new ATOM 0 HD11 LEU A 28 2.486 -23.190 24.559 1.00 41.24 H new ATOM 0 HD12 LEU A 28 2.956 -21.855 25.638 1.00 41.24 H new ATOM 0 HD13 LEU A 28 2.286 -21.503 24.027 1.00 41.24 H new ATOM 0 HD21 LEU A 28 3.856 -23.734 22.569 1.00 33.21 H new ATOM 0 HD22 LEU A 28 3.722 -22.071 21.949 1.00 33.21 H new ATOM 0 HD23 LEU A 28 5.326 -22.800 22.203 1.00 33.21 H new ATOM 444 N ASN A 29 7.496 -20.983 25.943 1.00 43.42 N ATOM 445 CA ASN A 29 8.533 -21.788 26.604 1.00 61.52 C ATOM 446 C ASN A 29 8.611 -21.477 28.108 1.00 35.33 C ATOM 447 O ASN A 29 8.936 -22.349 28.919 1.00 74.43 O ATOM 448 CB ASN A 29 9.904 -21.555 25.949 1.00 34.31 C ATOM 449 CG ASN A 29 10.036 -22.194 24.570 1.00 32.34 C ATOM 450 OD1 ASN A 29 8.970 -22.206 23.793 1.00 44.24 O flip ATOM 451 ND2 ASN A 29 11.106 -22.656 24.193 1.00 33.31 N flip ATOM 0 H ASN A 29 7.856 -20.298 25.278 1.00 43.42 H new ATOM 0 HA ASN A 29 8.257 -22.836 26.485 1.00 61.52 H new ATOM 0 HB2 ASN A 29 10.079 -20.483 25.862 1.00 34.31 H new ATOM 0 HB3 ASN A 29 10.682 -21.953 26.601 1.00 34.31 H new ATOM 0 HD21 ASN A 29 11.917 -22.635 24.812 1.00 33.31 H new ATOM 0 HD22 ASN A 29 11.186 -23.061 23.260 1.00 33.31 H new ATOM 458 N ARG A 30 8.304 -20.230 28.464 1.00 21.10 N ATOM 459 CA ARG A 30 8.328 -19.778 29.861 1.00 53.53 C ATOM 460 C ARG A 30 7.297 -20.522 30.729 1.00 61.21 C ATOM 461 O ARG A 30 7.521 -20.761 31.919 1.00 64.14 O ATOM 462 CB ARG A 30 8.059 -18.265 29.918 1.00 4.52 C ATOM 463 CG ARG A 30 7.891 -17.711 31.332 1.00 20.40 C ATOM 464 CD ARG A 30 7.669 -16.203 31.331 1.00 40.41 C ATOM 465 NE ARG A 30 8.841 -15.476 30.848 1.00 61.22 N ATOM 466 CZ ARG A 30 8.886 -14.183 30.670 1.00 20.41 C ATOM 467 NH1 ARG A 30 7.850 -13.446 30.905 1.00 71.42 N ATOM 468 NH2 ARG A 30 9.978 -13.633 30.253 1.00 74.41 N ATOM 0 H ARG A 30 8.033 -19.506 27.799 1.00 21.10 H new ATOM 0 HA ARG A 30 9.317 -19.999 30.263 1.00 53.53 H new ATOM 0 HB2 ARG A 30 8.882 -17.742 29.431 1.00 4.52 H new ATOM 0 HB3 ARG A 30 7.158 -18.046 29.345 1.00 4.52 H new ATOM 0 HG2 ARG A 30 7.046 -18.202 31.816 1.00 20.40 H new ATOM 0 HG3 ARG A 30 8.777 -17.947 31.922 1.00 20.40 H new ATOM 0 HD2 ARG A 30 6.810 -15.964 30.704 1.00 40.41 H new ATOM 0 HD3 ARG A 30 7.428 -15.872 32.341 1.00 40.41 H new ATOM 0 HE ARG A 30 9.681 -16.015 30.636 1.00 61.22 H new ATOM 0 HH11 ARG A 30 6.984 -13.873 31.234 1.00 71.42 H new ATOM 0 HH12 ARG A 30 7.899 -12.437 30.762 1.00 71.42 H new ATOM 0 HH21 ARG A 30 10.799 -14.208 30.065 1.00 74.41 H new ATOM 0 HH22 ARG A 30 10.019 -12.624 30.112 1.00 74.41 H new ATOM 482 N TYR A 31 6.162 -20.875 30.139 1.00 31.32 N ATOM 483 CA TYR A 31 5.084 -21.538 30.880 1.00 34.03 C ATOM 484 C TYR A 31 5.063 -23.057 30.646 1.00 11.13 C ATOM 485 O TYR A 31 5.301 -23.537 29.538 1.00 75.33 O ATOM 486 CB TYR A 31 3.728 -20.933 30.503 1.00 72.41 C ATOM 487 CG TYR A 31 3.616 -19.449 30.804 1.00 1.44 C ATOM 488 CD1 TYR A 31 3.497 -18.992 32.113 1.00 60.41 C ATOM 489 CD2 TYR A 31 3.626 -18.507 29.781 1.00 14.40 C ATOM 490 CE1 TYR A 31 3.394 -17.643 32.391 1.00 43.41 C ATOM 491 CE2 TYR A 31 3.524 -17.158 30.052 1.00 74.43 C ATOM 492 CZ TYR A 31 3.408 -16.732 31.358 1.00 31.42 C ATOM 493 OH TYR A 31 3.308 -15.389 31.628 1.00 54.53 O ATOM 0 H TYR A 31 5.959 -20.716 29.152 1.00 31.32 H new ATOM 0 HA TYR A 31 5.276 -21.372 31.940 1.00 34.03 H new ATOM 0 HB2 TYR A 31 3.552 -21.093 29.439 1.00 72.41 H new ATOM 0 HB3 TYR A 31 2.942 -21.464 31.040 1.00 72.41 H new ATOM 0 HD1 TYR A 31 3.485 -19.704 32.925 1.00 60.41 H new ATOM 0 HD2 TYR A 31 3.715 -18.837 28.757 1.00 14.40 H new ATOM 0 HE1 TYR A 31 3.303 -17.304 33.413 1.00 43.41 H new ATOM 0 HE2 TYR A 31 3.535 -16.440 29.246 1.00 74.43 H new ATOM 0 HH TYR A 31 2.807 -14.948 30.911 1.00 54.53 H new ATOM 503 N ARG A 32 4.772 -23.800 31.708 1.00 0.22 N ATOM 504 CA ARG A 32 4.642 -25.260 31.644 1.00 53.22 C ATOM 505 C ARG A 32 3.213 -25.656 31.241 1.00 54.41 C ATOM 506 O ARG A 32 2.312 -24.817 31.262 1.00 63.33 O ATOM 507 CB ARG A 32 4.965 -25.868 33.016 1.00 32.34 C ATOM 508 CG ARG A 32 6.339 -25.500 33.561 1.00 21.44 C ATOM 509 CD ARG A 32 6.409 -25.748 35.062 1.00 63.40 C ATOM 510 NE ARG A 32 5.352 -25.016 35.760 1.00 42.01 N ATOM 511 CZ ARG A 32 4.790 -25.393 36.874 1.00 73.04 C ATOM 512 NH1 ARG A 32 5.194 -26.455 37.493 1.00 31.20 N ATOM 513 NH2 ARG A 32 3.817 -24.697 37.365 1.00 35.00 N ATOM 0 H ARG A 32 4.619 -23.412 32.639 1.00 0.22 H new ATOM 0 HA ARG A 32 5.340 -25.638 30.897 1.00 53.22 H new ATOM 0 HB2 ARG A 32 4.207 -25.546 33.730 1.00 32.34 H new ATOM 0 HB3 ARG A 32 4.895 -26.953 32.944 1.00 32.34 H new ATOM 0 HG2 ARG A 32 7.105 -26.087 33.055 1.00 21.44 H new ATOM 0 HG3 ARG A 32 6.550 -24.451 33.351 1.00 21.44 H new ATOM 0 HD2 ARG A 32 6.313 -26.815 35.264 1.00 63.40 H new ATOM 0 HD3 ARG A 32 7.383 -25.439 35.441 1.00 63.40 H new ATOM 0 HE ARG A 32 5.030 -24.143 35.343 1.00 42.01 H new ATOM 0 HH11 ARG A 32 5.961 -27.008 37.110 1.00 31.20 H new ATOM 0 HH12 ARG A 32 4.746 -26.739 38.364 1.00 31.20 H new ATOM 0 HH21 ARG A 32 3.494 -23.859 36.881 1.00 35.00 H new ATOM 0 HH22 ARG A 32 3.372 -24.986 38.236 1.00 35.00 H new ATOM 527 N PRO A 33 2.983 -26.935 30.864 1.00 12.45 N ATOM 528 CA PRO A 33 1.628 -27.452 30.601 1.00 62.21 C ATOM 529 C PRO A 33 0.731 -27.400 31.846 1.00 40.11 C ATOM 530 O PRO A 33 0.432 -28.420 32.473 1.00 61.31 O ATOM 531 CB PRO A 33 1.859 -28.903 30.161 1.00 13.34 C ATOM 532 CG PRO A 33 3.298 -28.975 29.789 1.00 40.01 C ATOM 533 CD PRO A 33 4.012 -27.963 30.638 1.00 1.04 C ATOM 0 HA PRO A 33 1.110 -26.853 29.852 1.00 62.21 H new ATOM 0 HB2 PRO A 33 1.625 -29.600 30.966 1.00 13.34 H new ATOM 0 HB3 PRO A 33 1.221 -29.165 29.317 1.00 13.34 H new ATOM 0 HG2 PRO A 33 3.694 -29.976 29.964 1.00 40.01 H new ATOM 0 HG3 PRO A 33 3.436 -28.758 28.730 1.00 40.01 H new ATOM 0 HD2 PRO A 33 4.362 -28.397 31.575 1.00 1.04 H new ATOM 0 HD3 PRO A 33 4.886 -27.555 30.130 1.00 1.04 H new ATOM 541 N GLY A 34 0.324 -26.195 32.200 1.00 44.41 N ATOM 542 CA GLY A 34 -0.512 -25.983 33.378 1.00 65.33 C ATOM 543 C GLY A 34 -0.460 -24.550 33.908 1.00 42.45 C ATOM 544 O GLY A 34 -1.305 -24.149 34.716 1.00 3.24 O ATOM 0 H GLY A 34 0.557 -25.343 31.690 1.00 44.41 H new ATOM 0 HA2 GLY A 34 -1.544 -26.235 33.133 1.00 65.33 H new ATOM 0 HA3 GLY A 34 -0.196 -26.666 34.167 1.00 65.33 H new ATOM 548 N ASP A 35 0.533 -23.774 33.467 1.00 22.12 N ATOM 549 CA ASP A 35 0.669 -22.378 33.898 1.00 23.10 C ATOM 550 C ASP A 35 -0.294 -21.447 33.146 1.00 71.20 C ATOM 551 O ASP A 35 -0.567 -21.627 31.957 1.00 22.15 O ATOM 552 CB ASP A 35 2.111 -21.881 33.713 1.00 33.14 C ATOM 553 CG ASP A 35 3.074 -22.440 34.746 1.00 32.12 C ATOM 554 OD1 ASP A 35 2.722 -22.468 35.945 1.00 21.31 O ATOM 555 OD2 ASP A 35 4.201 -22.818 34.370 1.00 45.32 O ATOM 0 H ASP A 35 1.252 -24.086 32.815 1.00 22.12 H new ATOM 0 HA ASP A 35 0.412 -22.352 34.957 1.00 23.10 H new ATOM 0 HB2 ASP A 35 2.458 -22.155 32.717 1.00 33.14 H new ATOM 0 HB3 ASP A 35 2.123 -20.792 33.766 1.00 33.14 H new ATOM 560 N ILE A 36 -0.799 -20.446 33.858 1.00 61.11 N ATOM 561 CA ILE A 36 -1.688 -19.441 33.273 1.00 73.10 C ATOM 562 C ILE A 36 -0.886 -18.261 32.699 1.00 12.34 C ATOM 563 O ILE A 36 0.090 -17.809 33.301 1.00 71.13 O ATOM 564 CB ILE A 36 -2.697 -18.912 34.328 1.00 60.50 C ATOM 565 CG1 ILE A 36 -3.539 -20.070 34.898 1.00 22.25 C ATOM 566 CG2 ILE A 36 -3.600 -17.831 33.727 1.00 45.12 C ATOM 567 CD1 ILE A 36 -4.381 -20.789 33.861 1.00 73.31 C ATOM 0 H ILE A 36 -0.608 -20.306 34.850 1.00 61.11 H new ATOM 0 HA ILE A 36 -2.237 -19.924 32.464 1.00 73.10 H new ATOM 0 HB ILE A 36 -2.132 -18.463 35.144 1.00 60.50 H new ATOM 0 HG12 ILE A 36 -2.873 -20.790 35.373 1.00 22.25 H new ATOM 0 HG13 ILE A 36 -4.195 -19.680 35.677 1.00 22.25 H new ATOM 0 HG21 ILE A 36 -4.298 -17.477 34.486 1.00 45.12 H new ATOM 0 HG22 ILE A 36 -2.989 -16.998 33.379 1.00 45.12 H new ATOM 0 HG23 ILE A 36 -4.157 -18.248 32.888 1.00 45.12 H new ATOM 0 HD11 ILE A 36 -4.944 -21.590 34.341 1.00 73.31 H new ATOM 0 HD12 ILE A 36 -5.074 -20.084 33.402 1.00 73.31 H new ATOM 0 HD13 ILE A 36 -3.732 -21.211 33.094 1.00 73.31 H new ATOM 579 N VAL A 37 -1.297 -17.786 31.525 1.00 51.44 N ATOM 580 CA VAL A 37 -0.688 -16.606 30.898 1.00 70.42 C ATOM 581 C VAL A 37 -0.987 -15.337 31.721 1.00 54.43 C ATOM 582 O VAL A 37 -2.084 -15.188 32.263 1.00 41.20 O ATOM 583 CB VAL A 37 -1.207 -16.434 29.445 1.00 35.32 C ATOM 584 CG1 VAL A 37 -0.579 -15.223 28.768 1.00 61.21 C ATOM 585 CG2 VAL A 37 -0.951 -17.704 28.629 1.00 11.52 C ATOM 0 H VAL A 37 -2.054 -18.201 30.982 1.00 51.44 H new ATOM 0 HA VAL A 37 0.391 -16.755 30.870 1.00 70.42 H new ATOM 0 HB VAL A 37 -2.282 -16.263 29.494 1.00 35.32 H new ATOM 0 HG11 VAL A 37 -0.965 -15.133 27.753 1.00 61.21 H new ATOM 0 HG12 VAL A 37 -0.826 -14.323 29.331 1.00 61.21 H new ATOM 0 HG13 VAL A 37 0.504 -15.345 28.735 1.00 61.21 H new ATOM 0 HG21 VAL A 37 -1.321 -17.565 27.613 1.00 11.52 H new ATOM 0 HG22 VAL A 37 0.119 -17.908 28.600 1.00 11.52 H new ATOM 0 HG23 VAL A 37 -1.468 -18.544 29.092 1.00 11.52 H new ATOM 595 N SER A 38 -0.018 -14.424 31.809 1.00 41.24 N ATOM 596 CA SER A 38 -0.151 -13.245 32.682 1.00 4.20 C ATOM 597 C SER A 38 -1.074 -12.179 32.076 1.00 3.43 C ATOM 598 O SER A 38 -1.564 -12.321 30.953 1.00 25.23 O ATOM 599 CB SER A 38 1.223 -12.628 32.981 1.00 43.55 C ATOM 600 OG SER A 38 1.746 -11.936 31.856 1.00 53.44 O ATOM 0 H SER A 38 0.861 -14.472 31.294 1.00 41.24 H new ATOM 0 HA SER A 38 -0.601 -13.592 33.612 1.00 4.20 H new ATOM 0 HB2 SER A 38 1.138 -11.941 33.823 1.00 43.55 H new ATOM 0 HB3 SER A 38 1.917 -13.414 33.280 1.00 43.55 H new ATOM 0 HG SER A 38 2.620 -11.556 32.083 1.00 53.44 H new ATOM 606 N THR A 39 -1.300 -11.102 32.828 1.00 34.44 N ATOM 607 CA THR A 39 -2.189 -10.012 32.391 1.00 44.12 C ATOM 608 C THR A 39 -1.619 -9.283 31.163 1.00 42.31 C ATOM 609 O THR A 39 -2.367 -8.736 30.345 1.00 12.45 O ATOM 610 CB THR A 39 -2.416 -8.982 33.530 1.00 31.40 C ATOM 611 OG1 THR A 39 -2.845 -9.654 34.725 1.00 34.44 O ATOM 612 CG2 THR A 39 -3.459 -7.937 33.140 1.00 2.11 C ATOM 0 H THR A 39 -0.881 -10.956 33.746 1.00 34.44 H new ATOM 0 HA THR A 39 -3.142 -10.469 32.124 1.00 44.12 H new ATOM 0 HB THR A 39 -1.468 -8.475 33.708 1.00 31.40 H new ATOM 0 HG1 THR A 39 -2.984 -8.996 35.438 1.00 34.44 H new ATOM 0 HG21 THR A 39 -3.593 -7.232 33.961 1.00 2.11 H new ATOM 0 HG22 THR A 39 -3.123 -7.401 32.253 1.00 2.11 H new ATOM 0 HG23 THR A 39 -4.407 -8.431 32.928 1.00 2.11 H new ATOM 620 N VAL A 40 -0.293 -9.274 31.043 1.00 3.14 N ATOM 621 CA VAL A 40 0.382 -8.645 29.900 1.00 64.42 C ATOM 622 C VAL A 40 0.221 -9.487 28.620 1.00 33.23 C ATOM 623 O VAL A 40 -0.487 -9.089 27.691 1.00 20.40 O ATOM 624 CB VAL A 40 1.890 -8.423 30.192 1.00 34.44 C ATOM 625 CG1 VAL A 40 2.593 -7.776 28.998 1.00 33.34 C ATOM 626 CG2 VAL A 40 2.073 -7.578 31.454 1.00 35.42 C ATOM 0 H VAL A 40 0.340 -9.695 31.723 1.00 3.14 H new ATOM 0 HA VAL A 40 -0.093 -7.677 29.742 1.00 64.42 H new ATOM 0 HB VAL A 40 2.349 -9.397 30.360 1.00 34.44 H new ATOM 0 HG11 VAL A 40 3.648 -7.632 29.231 1.00 33.34 H new ATOM 0 HG12 VAL A 40 2.499 -8.423 28.126 1.00 33.34 H new ATOM 0 HG13 VAL A 40 2.134 -6.811 28.785 1.00 33.34 H new ATOM 0 HG21 VAL A 40 3.137 -7.432 31.643 1.00 35.42 H new ATOM 0 HG22 VAL A 40 1.593 -6.609 31.316 1.00 35.42 H new ATOM 0 HG23 VAL A 40 1.620 -8.089 32.303 1.00 35.42 H new ATOM 636 N ASP A 41 0.855 -10.662 28.589 1.00 53.23 N ATOM 637 CA ASP A 41 0.786 -11.549 27.414 1.00 31.41 C ATOM 638 C ASP A 41 -0.668 -11.936 27.084 1.00 64.25 C ATOM 639 O ASP A 41 -1.003 -12.203 25.927 1.00 24.12 O ATOM 640 CB ASP A 41 1.643 -12.821 27.606 1.00 4.01 C ATOM 641 CG ASP A 41 2.347 -12.888 28.950 1.00 32.13 C ATOM 642 OD1 ASP A 41 3.276 -12.089 29.186 1.00 1.02 O ATOM 643 OD2 ASP A 41 1.969 -13.730 29.787 1.00 64.31 O ATOM 0 H ASP A 41 1.420 -11.024 29.357 1.00 53.23 H new ATOM 0 HA ASP A 41 1.193 -10.988 26.573 1.00 31.41 H new ATOM 0 HB2 ASP A 41 1.005 -13.698 27.496 1.00 4.01 H new ATOM 0 HB3 ASP A 41 2.389 -12.869 26.813 1.00 4.01 H new ATOM 648 N GLY A 42 -1.524 -11.970 28.107 1.00 41.22 N ATOM 649 CA GLY A 42 -2.942 -12.242 27.896 1.00 54.50 C ATOM 650 C GLY A 42 -3.589 -11.275 26.906 1.00 52.22 C ATOM 651 O GLY A 42 -4.292 -11.695 25.985 1.00 3.52 O ATOM 0 H GLY A 42 -1.261 -11.814 29.080 1.00 41.22 H new ATOM 0 HA2 GLY A 42 -3.061 -13.262 27.531 1.00 54.50 H new ATOM 0 HA3 GLY A 42 -3.465 -12.182 28.850 1.00 54.50 H new ATOM 655 N ALA A 43 -3.333 -9.978 27.086 1.00 22.53 N ATOM 656 CA ALA A 43 -3.876 -8.942 26.197 1.00 64.14 C ATOM 657 C ALA A 43 -3.364 -9.121 24.762 1.00 11.21 C ATOM 658 O ALA A 43 -4.118 -8.978 23.796 1.00 43.23 O ATOM 659 CB ALA A 43 -3.514 -7.558 26.721 1.00 14.33 C ATOM 0 H ALA A 43 -2.751 -9.616 27.842 1.00 22.53 H new ATOM 0 HA ALA A 43 -4.961 -9.042 26.181 1.00 64.14 H new ATOM 0 HB1 ALA A 43 -3.922 -6.798 26.054 1.00 14.33 H new ATOM 0 HB2 ALA A 43 -3.931 -7.426 27.719 1.00 14.33 H new ATOM 0 HB3 ALA A 43 -2.430 -7.458 26.765 1.00 14.33 H new ATOM 665 N PHE A 44 -2.075 -9.437 24.640 1.00 4.03 N ATOM 666 CA PHE A 44 -1.456 -9.735 23.344 1.00 43.12 C ATOM 667 C PHE A 44 -2.217 -10.856 22.613 1.00 33.32 C ATOM 668 O PHE A 44 -2.558 -10.728 21.435 1.00 3.22 O ATOM 669 CB PHE A 44 0.014 -10.137 23.557 1.00 1.33 C ATOM 670 CG PHE A 44 0.768 -10.448 22.287 1.00 15.34 C ATOM 671 CD1 PHE A 44 0.785 -11.737 21.765 1.00 13.35 C ATOM 672 CD2 PHE A 44 1.469 -9.453 21.620 1.00 1.32 C ATOM 673 CE1 PHE A 44 1.482 -12.022 20.607 1.00 21.04 C ATOM 674 CE2 PHE A 44 2.166 -9.735 20.462 1.00 14.12 C ATOM 675 CZ PHE A 44 2.173 -11.021 19.955 1.00 13.24 C ATOM 0 H PHE A 44 -1.432 -9.494 25.430 1.00 4.03 H new ATOM 0 HA PHE A 44 -1.500 -8.841 22.722 1.00 43.12 H new ATOM 0 HB2 PHE A 44 0.526 -9.330 24.080 1.00 1.33 H new ATOM 0 HB3 PHE A 44 0.048 -11.011 24.208 1.00 1.33 H new ATOM 0 HD1 PHE A 44 0.247 -12.525 22.271 1.00 13.35 H new ATOM 0 HD2 PHE A 44 1.469 -8.446 22.011 1.00 1.32 H new ATOM 0 HE1 PHE A 44 1.486 -13.027 20.212 1.00 21.04 H new ATOM 0 HE2 PHE A 44 2.706 -8.951 19.952 1.00 14.12 H new ATOM 0 HZ PHE A 44 2.719 -11.242 19.050 1.00 13.24 H new ATOM 685 N LEU A 45 -2.480 -11.948 23.327 1.00 23.41 N ATOM 686 CA LEU A 45 -3.229 -13.083 22.774 1.00 12.13 C ATOM 687 C LEU A 45 -4.656 -12.684 22.358 1.00 65.42 C ATOM 688 O LEU A 45 -5.161 -13.145 21.332 1.00 12.00 O ATOM 689 CB LEU A 45 -3.278 -14.226 23.797 1.00 2.41 C ATOM 690 CG LEU A 45 -1.925 -14.897 24.090 1.00 31.55 C ATOM 691 CD1 LEU A 45 -2.049 -15.884 25.247 1.00 1.21 C ATOM 692 CD2 LEU A 45 -1.392 -15.598 22.842 1.00 72.32 C ATOM 0 H LEU A 45 -2.185 -12.075 24.295 1.00 23.41 H new ATOM 0 HA LEU A 45 -2.708 -13.417 21.877 1.00 12.13 H new ATOM 0 HB2 LEU A 45 -3.684 -13.839 24.732 1.00 2.41 H new ATOM 0 HB3 LEU A 45 -3.972 -14.985 23.437 1.00 2.41 H new ATOM 0 HG LEU A 45 -1.216 -14.121 24.379 1.00 31.55 H new ATOM 0 HD11 LEU A 45 -1.080 -16.346 25.436 1.00 1.21 H new ATOM 0 HD12 LEU A 45 -2.380 -15.356 26.141 1.00 1.21 H new ATOM 0 HD13 LEU A 45 -2.775 -16.655 24.991 1.00 1.21 H new ATOM 0 HD21 LEU A 45 -0.434 -16.067 23.069 1.00 72.32 H new ATOM 0 HD22 LEU A 45 -2.102 -16.360 22.522 1.00 72.32 H new ATOM 0 HD23 LEU A 45 -1.259 -14.868 22.044 1.00 72.32 H new ATOM 704 N VAL A 46 -5.303 -11.832 23.156 1.00 51.33 N ATOM 705 CA VAL A 46 -6.649 -11.340 22.827 1.00 2.11 C ATOM 706 C VAL A 46 -6.657 -10.581 21.486 1.00 32.21 C ATOM 707 O VAL A 46 -7.516 -10.817 20.634 1.00 34.21 O ATOM 708 CB VAL A 46 -7.215 -10.422 23.943 1.00 55.43 C ATOM 709 CG1 VAL A 46 -8.589 -9.871 23.559 1.00 1.15 C ATOM 710 CG2 VAL A 46 -7.291 -11.171 25.273 1.00 14.23 C ATOM 0 H VAL A 46 -4.923 -11.468 24.030 1.00 51.33 H new ATOM 0 HA VAL A 46 -7.288 -12.219 22.742 1.00 2.11 H new ATOM 0 HB VAL A 46 -6.533 -9.579 24.060 1.00 55.43 H new ATOM 0 HG11 VAL A 46 -8.961 -9.231 24.359 1.00 1.15 H new ATOM 0 HG12 VAL A 46 -8.504 -9.291 22.640 1.00 1.15 H new ATOM 0 HG13 VAL A 46 -9.282 -10.698 23.403 1.00 1.15 H new ATOM 0 HG21 VAL A 46 -7.690 -10.509 26.041 1.00 14.23 H new ATOM 0 HG22 VAL A 46 -7.943 -12.038 25.166 1.00 14.23 H new ATOM 0 HG23 VAL A 46 -6.293 -11.502 25.562 1.00 14.23 H new ATOM 720 N GLU A 47 -5.694 -9.675 21.307 1.00 43.31 N ATOM 721 CA GLU A 47 -5.560 -8.915 20.055 1.00 71.01 C ATOM 722 C GLU A 47 -5.243 -9.842 18.872 1.00 35.14 C ATOM 723 O GLU A 47 -5.837 -9.722 17.796 1.00 31.13 O ATOM 724 CB GLU A 47 -4.465 -7.848 20.189 1.00 72.21 C ATOM 725 CG GLU A 47 -4.747 -6.798 21.259 1.00 10.31 C ATOM 726 CD GLU A 47 -6.004 -5.987 20.980 1.00 31.53 C ATOM 727 OE1 GLU A 47 -5.955 -5.081 20.117 1.00 14.44 O ATOM 728 OE2 GLU A 47 -7.044 -6.246 21.623 1.00 43.54 O ATOM 0 H GLU A 47 -4.993 -9.447 22.012 1.00 43.31 H new ATOM 0 HA GLU A 47 -6.514 -8.426 19.861 1.00 71.01 H new ATOM 0 HB2 GLU A 47 -3.519 -8.340 20.418 1.00 72.21 H new ATOM 0 HB3 GLU A 47 -4.340 -7.348 19.228 1.00 72.21 H new ATOM 0 HG2 GLU A 47 -4.846 -7.291 22.226 1.00 10.31 H new ATOM 0 HG3 GLU A 47 -3.894 -6.123 21.331 1.00 10.31 H new ATOM 735 N ALA A 48 -4.307 -10.770 19.080 1.00 62.11 N ATOM 736 CA ALA A 48 -3.948 -11.754 18.052 1.00 45.23 C ATOM 737 C ALA A 48 -5.176 -12.564 17.612 1.00 5.30 C ATOM 738 O ALA A 48 -5.389 -12.804 16.423 1.00 70.50 O ATOM 739 CB ALA A 48 -2.852 -12.688 18.563 1.00 1.31 C ATOM 0 H ALA A 48 -3.783 -10.862 19.950 1.00 62.11 H new ATOM 0 HA ALA A 48 -3.569 -11.212 17.186 1.00 45.23 H new ATOM 0 HB1 ALA A 48 -2.599 -13.411 17.787 1.00 1.31 H new ATOM 0 HB2 ALA A 48 -1.967 -12.105 18.819 1.00 1.31 H new ATOM 0 HB3 ALA A 48 -3.207 -13.215 19.448 1.00 1.31 H new ATOM 745 N LEU A 49 -5.985 -12.970 18.585 1.00 32.41 N ATOM 746 CA LEU A 49 -7.215 -13.719 18.316 1.00 22.34 C ATOM 747 C LEU A 49 -8.248 -12.858 17.565 1.00 40.34 C ATOM 748 O LEU A 49 -8.626 -13.174 16.432 1.00 71.15 O ATOM 749 CB LEU A 49 -7.817 -14.230 19.638 1.00 33.41 C ATOM 750 CG LEU A 49 -9.130 -15.026 19.508 1.00 11.13 C ATOM 751 CD1 LEU A 49 -8.928 -16.280 18.661 1.00 42.42 C ATOM 752 CD2 LEU A 49 -9.686 -15.386 20.886 1.00 33.32 C ATOM 0 H LEU A 49 -5.812 -12.793 19.575 1.00 32.41 H new ATOM 0 HA LEU A 49 -6.960 -14.566 17.680 1.00 22.34 H new ATOM 0 HB2 LEU A 49 -7.078 -14.860 20.133 1.00 33.41 H new ATOM 0 HB3 LEU A 49 -7.995 -13.375 20.290 1.00 33.41 H new ATOM 0 HG LEU A 49 -9.858 -14.392 19.002 1.00 11.13 H new ATOM 0 HD11 LEU A 49 -9.870 -16.823 18.585 1.00 42.42 H new ATOM 0 HD12 LEU A 49 -8.592 -15.995 17.664 1.00 42.42 H new ATOM 0 HD13 LEU A 49 -8.178 -16.918 19.128 1.00 42.42 H new ATOM 0 HD21 LEU A 49 -10.613 -15.947 20.769 1.00 33.32 H new ATOM 0 HD22 LEU A 49 -8.959 -15.994 21.424 1.00 33.32 H new ATOM 0 HD23 LEU A 49 -9.883 -14.473 21.449 1.00 33.32 H new ATOM 764 N LYS A 50 -8.667 -11.756 18.195 1.00 15.22 N ATOM 765 CA LYS A 50 -9.762 -10.908 17.689 1.00 61.45 C ATOM 766 C LYS A 50 -9.597 -10.478 16.221 1.00 51.33 C ATOM 767 O LYS A 50 -10.590 -10.326 15.511 1.00 11.30 O ATOM 768 CB LYS A 50 -9.926 -9.655 18.562 1.00 24.10 C ATOM 769 CG LYS A 50 -10.669 -9.904 19.873 1.00 42.20 C ATOM 770 CD LYS A 50 -10.881 -8.607 20.653 1.00 11.30 C ATOM 771 CE LYS A 50 -11.814 -8.802 21.844 1.00 73.55 C ATOM 772 NZ LYS A 50 -13.203 -9.138 21.422 1.00 23.30 N ATOM 0 H LYS A 50 -8.260 -11.423 19.069 1.00 15.22 H new ATOM 0 HA LYS A 50 -10.654 -11.532 17.740 1.00 61.45 H new ATOM 0 HB2 LYS A 50 -8.939 -9.250 18.787 1.00 24.10 H new ATOM 0 HB3 LYS A 50 -10.461 -8.895 17.992 1.00 24.10 H new ATOM 0 HG2 LYS A 50 -11.634 -10.365 19.663 1.00 42.20 H new ATOM 0 HG3 LYS A 50 -10.105 -10.609 20.484 1.00 42.20 H new ATOM 0 HD2 LYS A 50 -9.919 -8.234 21.004 1.00 11.30 H new ATOM 0 HD3 LYS A 50 -11.295 -7.848 19.989 1.00 11.30 H new ATOM 0 HE2 LYS A 50 -11.427 -9.598 22.480 1.00 73.55 H new ATOM 0 HE3 LYS A 50 -11.829 -7.893 22.445 1.00 73.55 H new ATOM 0 HZ1 LYS A 50 -13.825 -8.323 21.595 1.00 23.30 H new ATOM 0 HZ2 LYS A 50 -13.211 -9.371 20.408 1.00 23.30 H new ATOM 0 HZ3 LYS A 50 -13.543 -9.955 21.968 1.00 23.30 H new ATOM 786 N ARG A 51 -8.362 -10.284 15.756 1.00 11.01 N ATOM 787 CA ARG A 51 -8.139 -9.788 14.387 1.00 30.22 C ATOM 788 C ARG A 51 -8.405 -10.875 13.317 1.00 24.24 C ATOM 789 O ARG A 51 -8.006 -10.737 12.158 1.00 71.31 O ATOM 790 CB ARG A 51 -6.720 -9.208 14.238 1.00 24.53 C ATOM 791 CG ARG A 51 -5.608 -10.244 14.096 1.00 30.51 C ATOM 792 CD ARG A 51 -4.244 -9.571 13.932 1.00 42.30 C ATOM 793 NE ARG A 51 -3.307 -10.393 13.165 1.00 41.43 N ATOM 794 CZ ARG A 51 -2.324 -9.905 12.451 1.00 5.41 C ATOM 795 NH1 ARG A 51 -2.102 -8.631 12.413 1.00 23.04 N ATOM 796 NH2 ARG A 51 -1.571 -10.697 11.760 1.00 10.42 N ATOM 0 H ARG A 51 -7.512 -10.457 16.292 1.00 11.01 H new ATOM 0 HA ARG A 51 -8.861 -8.989 14.216 1.00 30.22 H new ATOM 0 HB2 ARG A 51 -6.701 -8.556 13.365 1.00 24.53 H new ATOM 0 HB3 ARG A 51 -6.506 -8.585 15.106 1.00 24.53 H new ATOM 0 HG2 ARG A 51 -5.595 -10.890 14.974 1.00 30.51 H new ATOM 0 HG3 ARG A 51 -5.808 -10.881 13.234 1.00 30.51 H new ATOM 0 HD2 ARG A 51 -4.373 -8.610 13.434 1.00 42.30 H new ATOM 0 HD3 ARG A 51 -3.822 -9.365 14.916 1.00 42.30 H new ATOM 0 HE ARG A 51 -3.427 -11.406 13.188 1.00 41.43 H new ATOM 0 HH11 ARG A 51 -2.696 -7.994 12.943 1.00 23.04 H new ATOM 0 HH12 ARG A 51 -1.333 -8.264 11.853 1.00 23.04 H new ATOM 0 HH21 ARG A 51 -1.743 -11.702 11.771 1.00 10.42 H new ATOM 0 HH22 ARG A 51 -0.805 -10.316 11.204 1.00 10.42 H new ATOM 810 N HIS A 52 -9.082 -11.955 13.717 1.00 4.12 N ATOM 811 CA HIS A 52 -9.547 -12.991 12.783 1.00 32.51 C ATOM 812 C HIS A 52 -11.086 -12.996 12.711 1.00 21.10 C ATOM 813 O HIS A 52 -11.756 -12.890 13.738 1.00 60.33 O ATOM 814 CB HIS A 52 -9.044 -14.374 13.224 1.00 0.53 C ATOM 815 CG HIS A 52 -7.551 -14.495 13.247 1.00 3.33 C ATOM 816 ND1 HIS A 52 -6.791 -14.237 14.365 1.00 71.52 N ATOM 817 CD2 HIS A 52 -6.674 -14.853 12.279 1.00 74.43 C ATOM 818 CE1 HIS A 52 -5.518 -14.429 14.084 1.00 72.32 C ATOM 819 NE2 HIS A 52 -5.415 -14.801 12.827 1.00 2.42 N ATOM 0 H HIS A 52 -9.323 -12.138 14.691 1.00 4.12 H new ATOM 0 HA HIS A 52 -9.146 -12.767 11.795 1.00 32.51 H new ATOM 0 HB2 HIS A 52 -9.432 -14.591 14.219 1.00 0.53 H new ATOM 0 HB3 HIS A 52 -9.450 -15.130 12.551 1.00 0.53 H new ATOM 0 HD1 HIS A 52 -7.156 -13.943 15.271 1.00 71.52 H new ATOM 0 HD2 HIS A 52 -6.919 -15.128 11.264 1.00 74.43 H new ATOM 0 HE1 HIS A 52 -4.695 -14.302 14.772 1.00 72.32 H new ATOM 828 N PRO A 53 -11.671 -13.134 11.503 1.00 3.03 N ATOM 829 CA PRO A 53 -13.139 -13.107 11.319 1.00 50.43 C ATOM 830 C PRO A 53 -13.876 -14.184 12.144 1.00 0.43 C ATOM 831 O PRO A 53 -14.986 -13.959 12.634 1.00 74.31 O ATOM 832 CB PRO A 53 -13.319 -13.358 9.809 1.00 11.31 C ATOM 833 CG PRO A 53 -12.022 -13.941 9.351 1.00 43.12 C ATOM 834 CD PRO A 53 -10.966 -13.320 10.222 1.00 1.30 C ATOM 0 HA PRO A 53 -13.566 -12.165 11.663 1.00 50.43 H new ATOM 0 HB2 PRO A 53 -14.147 -14.042 9.619 1.00 11.31 H new ATOM 0 HB3 PRO A 53 -13.543 -12.432 9.280 1.00 11.31 H new ATOM 0 HG2 PRO A 53 -12.024 -15.026 9.451 1.00 43.12 H new ATOM 0 HG3 PRO A 53 -11.843 -13.718 8.299 1.00 43.12 H new ATOM 0 HD2 PRO A 53 -10.096 -13.968 10.329 1.00 1.30 H new ATOM 0 HD3 PRO A 53 -10.610 -12.374 9.815 1.00 1.30 H new ATOM 842 N ASP A 54 -13.246 -15.346 12.306 1.00 13.23 N ATOM 843 CA ASP A 54 -13.841 -16.466 13.050 1.00 55.44 C ATOM 844 C ASP A 54 -13.611 -16.350 14.571 1.00 40.15 C ATOM 845 O ASP A 54 -14.151 -17.141 15.349 1.00 44.51 O ATOM 846 CB ASP A 54 -13.257 -17.786 12.536 1.00 14.22 C ATOM 847 CG ASP A 54 -13.440 -17.948 11.038 1.00 33.52 C ATOM 848 OD1 ASP A 54 -12.572 -17.479 10.273 1.00 31.12 O ATOM 849 OD2 ASP A 54 -14.460 -18.534 10.617 1.00 33.31 O ATOM 0 H ASP A 54 -12.318 -15.542 11.931 1.00 13.23 H new ATOM 0 HA ASP A 54 -14.918 -16.438 12.884 1.00 55.44 H new ATOM 0 HB2 ASP A 54 -12.195 -17.830 12.778 1.00 14.22 H new ATOM 0 HB3 ASP A 54 -13.736 -18.619 13.051 1.00 14.22 H new ATOM 854 N ALA A 55 -12.825 -15.356 14.991 1.00 0.34 N ATOM 855 CA ALA A 55 -12.451 -15.197 16.407 1.00 52.53 C ATOM 856 C ALA A 55 -13.669 -15.160 17.343 1.00 5.14 C ATOM 857 O ALA A 55 -13.676 -15.809 18.389 1.00 52.31 O ATOM 858 CB ALA A 55 -11.617 -13.938 16.593 1.00 61.31 C ATOM 0 H ALA A 55 -12.432 -14.646 14.373 1.00 0.34 H new ATOM 0 HA ALA A 55 -11.863 -16.074 16.678 1.00 52.53 H new ATOM 0 HB1 ALA A 55 -11.347 -13.832 17.644 1.00 61.31 H new ATOM 0 HB2 ALA A 55 -10.711 -14.010 15.991 1.00 61.31 H new ATOM 0 HB3 ALA A 55 -12.195 -13.069 16.277 1.00 61.31 H new ATOM 864 N THR A 56 -14.689 -14.393 16.960 1.00 62.41 N ATOM 865 CA THR A 56 -15.924 -14.264 17.756 1.00 3.02 C ATOM 866 C THR A 56 -16.519 -15.627 18.152 1.00 41.41 C ATOM 867 O THR A 56 -17.046 -15.787 19.257 1.00 4.43 O ATOM 868 CB THR A 56 -16.999 -13.447 16.995 1.00 40.33 C ATOM 869 OG1 THR A 56 -18.204 -13.358 17.772 1.00 31.10 O ATOM 870 CG2 THR A 56 -17.310 -14.072 15.635 1.00 73.35 C ATOM 0 H THR A 56 -14.691 -13.846 16.099 1.00 62.41 H new ATOM 0 HA THR A 56 -15.638 -13.739 18.667 1.00 3.02 H new ATOM 0 HB THR A 56 -16.600 -12.446 16.832 1.00 40.33 H new ATOM 0 HG1 THR A 56 -18.873 -12.838 17.280 1.00 31.10 H new ATOM 0 HG21 THR A 56 -18.067 -13.476 15.125 1.00 73.35 H new ATOM 0 HG22 THR A 56 -16.403 -14.099 15.031 1.00 73.35 H new ATOM 0 HG23 THR A 56 -17.682 -15.087 15.777 1.00 73.35 H new ATOM 878 N SER A 57 -16.405 -16.615 17.258 1.00 63.24 N ATOM 879 CA SER A 57 -16.947 -17.965 17.502 1.00 53.45 C ATOM 880 C SER A 57 -16.254 -18.652 18.687 1.00 10.14 C ATOM 881 O SER A 57 -16.798 -19.579 19.289 1.00 0.21 O ATOM 882 CB SER A 57 -16.803 -18.840 16.245 1.00 11.11 C ATOM 883 OG SER A 57 -17.257 -20.170 16.476 1.00 22.42 O ATOM 0 H SER A 57 -15.942 -16.509 16.355 1.00 63.24 H new ATOM 0 HA SER A 57 -18.003 -17.848 17.746 1.00 53.45 H new ATOM 0 HB2 SER A 57 -17.371 -18.398 15.427 1.00 11.11 H new ATOM 0 HB3 SER A 57 -15.759 -18.861 15.933 1.00 11.11 H new ATOM 0 HG SER A 57 -17.153 -20.698 15.657 1.00 22.42 H new ATOM 889 N LYS A 58 -15.044 -18.202 19.015 1.00 60.44 N ATOM 890 CA LYS A 58 -14.291 -18.762 20.144 1.00 23.30 C ATOM 891 C LYS A 58 -14.121 -17.730 21.269 1.00 23.34 C ATOM 892 O LYS A 58 -13.302 -17.896 22.172 1.00 54.11 O ATOM 893 CB LYS A 58 -12.932 -19.289 19.660 1.00 31.43 C ATOM 894 CG LYS A 58 -13.065 -20.272 18.501 1.00 51.24 C ATOM 895 CD LYS A 58 -11.841 -21.163 18.337 1.00 64.44 C ATOM 896 CE LYS A 58 -12.082 -22.232 17.275 1.00 5.41 C ATOM 897 NZ LYS A 58 -13.337 -22.993 17.533 1.00 14.14 N ATOM 0 H LYS A 58 -14.562 -17.453 18.518 1.00 60.44 H new ATOM 0 HA LYS A 58 -14.858 -19.596 20.557 1.00 23.30 H new ATOM 0 HB2 LYS A 58 -12.310 -18.449 19.350 1.00 31.43 H new ATOM 0 HB3 LYS A 58 -12.419 -19.777 20.489 1.00 31.43 H new ATOM 0 HG2 LYS A 58 -13.944 -20.896 18.660 1.00 51.24 H new ATOM 0 HG3 LYS A 58 -13.231 -19.717 17.578 1.00 51.24 H new ATOM 0 HD2 LYS A 58 -10.980 -20.556 18.058 1.00 64.44 H new ATOM 0 HD3 LYS A 58 -11.602 -21.638 19.289 1.00 64.44 H new ATOM 0 HE2 LYS A 58 -12.136 -21.763 16.293 1.00 5.41 H new ATOM 0 HE3 LYS A 58 -11.237 -22.920 17.253 1.00 5.41 H new ATOM 0 HZ1 LYS A 58 -13.342 -23.859 16.958 1.00 14.14 H new ATOM 0 HZ2 LYS A 58 -13.389 -23.246 18.540 1.00 14.14 H new ATOM 0 HZ3 LYS A 58 -14.157 -22.405 17.281 1.00 14.14 H new ATOM 911 N ILE A 59 -14.906 -16.659 21.205 1.00 22.13 N ATOM 912 CA ILE A 59 -14.983 -15.680 22.292 1.00 14.12 C ATOM 913 C ILE A 59 -16.294 -15.861 23.070 1.00 10.21 C ATOM 914 O ILE A 59 -16.290 -15.960 24.300 1.00 22.23 O ATOM 915 CB ILE A 59 -14.877 -14.225 21.759 1.00 13.14 C ATOM 916 CG1 ILE A 59 -13.525 -14.019 21.049 1.00 15.32 C ATOM 917 CG2 ILE A 59 -15.055 -13.214 22.896 1.00 24.10 C ATOM 918 CD1 ILE A 59 -13.351 -12.644 20.435 1.00 21.13 C ATOM 0 H ILE A 59 -15.503 -16.443 20.407 1.00 22.13 H new ATOM 0 HA ILE A 59 -14.138 -15.854 22.959 1.00 14.12 H new ATOM 0 HB ILE A 59 -15.677 -14.060 21.038 1.00 13.14 H new ATOM 0 HG12 ILE A 59 -12.721 -14.190 21.765 1.00 15.32 H new ATOM 0 HG13 ILE A 59 -13.420 -14.770 20.266 1.00 15.32 H new ATOM 0 HG21 ILE A 59 -14.977 -12.202 22.499 1.00 24.10 H new ATOM 0 HG22 ILE A 59 -16.035 -13.350 23.353 1.00 24.10 H new ATOM 0 HG23 ILE A 59 -14.280 -13.370 23.646 1.00 24.10 H new ATOM 0 HD11 ILE A 59 -12.374 -12.581 19.955 1.00 21.13 H new ATOM 0 HD12 ILE A 59 -14.131 -12.475 19.693 1.00 21.13 H new ATOM 0 HD13 ILE A 59 -13.422 -11.886 21.215 1.00 21.13 H new ATOM 930 N GLY A 60 -17.410 -15.917 22.336 1.00 72.44 N ATOM 931 CA GLY A 60 -18.715 -16.174 22.943 1.00 12.22 C ATOM 932 C GLY A 60 -19.125 -15.132 23.985 1.00 45.22 C ATOM 933 O GLY A 60 -19.416 -13.986 23.635 1.00 65.14 O ATOM 0 H GLY A 60 -17.434 -15.788 21.324 1.00 72.44 H new ATOM 0 HA2 GLY A 60 -19.471 -16.207 22.158 1.00 12.22 H new ATOM 0 HA3 GLY A 60 -18.700 -17.158 23.412 1.00 12.22 H new ATOM 937 N PRO A 61 -19.184 -15.510 25.280 1.00 31.21 N ATOM 938 CA PRO A 61 -19.515 -14.571 26.363 1.00 14.12 C ATOM 939 C PRO A 61 -18.355 -13.614 26.706 1.00 43.11 C ATOM 940 O PRO A 61 -18.581 -12.465 27.092 1.00 34.02 O ATOM 941 CB PRO A 61 -19.827 -15.501 27.543 1.00 1.15 C ATOM 942 CG PRO A 61 -19.011 -16.725 27.284 1.00 42.30 C ATOM 943 CD PRO A 61 -18.957 -16.882 25.786 1.00 10.42 C ATOM 0 HA PRO A 61 -20.337 -13.908 26.092 1.00 14.12 H new ATOM 0 HB2 PRO A 61 -19.559 -15.039 28.493 1.00 1.15 H new ATOM 0 HB3 PRO A 61 -20.890 -15.736 27.592 1.00 1.15 H new ATOM 0 HG2 PRO A 61 -18.009 -16.621 27.701 1.00 42.30 H new ATOM 0 HG3 PRO A 61 -19.462 -17.600 27.752 1.00 42.30 H new ATOM 0 HD2 PRO A 61 -17.994 -17.275 25.459 1.00 10.42 H new ATOM 0 HD3 PRO A 61 -19.721 -17.572 25.428 1.00 10.42 H new ATOM 951 N GLY A 62 -17.114 -14.084 26.551 1.00 23.40 N ATOM 952 CA GLY A 62 -15.957 -13.251 26.869 1.00 12.21 C ATOM 953 C GLY A 62 -14.697 -14.041 27.226 1.00 63.21 C ATOM 954 O GLY A 62 -14.748 -15.249 27.485 1.00 71.51 O ATOM 0 H GLY A 62 -16.889 -15.020 26.213 1.00 23.40 H new ATOM 0 HA2 GLY A 62 -15.740 -12.608 26.016 1.00 12.21 H new ATOM 0 HA3 GLY A 62 -16.212 -12.598 27.704 1.00 12.21 H new ATOM 958 N VAL A 63 -13.558 -13.348 27.238 1.00 3.21 N ATOM 959 CA VAL A 63 -12.268 -13.952 27.590 1.00 4.10 C ATOM 960 C VAL A 63 -12.020 -13.896 29.107 1.00 73.23 C ATOM 961 O VAL A 63 -11.991 -12.816 29.698 1.00 23.03 O ATOM 962 CB VAL A 63 -11.101 -13.226 26.868 1.00 12.23 C ATOM 963 CG1 VAL A 63 -9.752 -13.842 27.240 1.00 45.52 C ATOM 964 CG2 VAL A 63 -11.308 -13.238 25.352 1.00 65.14 C ATOM 0 H VAL A 63 -13.501 -12.356 27.005 1.00 3.21 H new ATOM 0 HA VAL A 63 -12.306 -14.993 27.270 1.00 4.10 H new ATOM 0 HB VAL A 63 -11.095 -12.188 27.202 1.00 12.23 H new ATOM 0 HG11 VAL A 63 -8.954 -13.313 26.719 1.00 45.52 H new ATOM 0 HG12 VAL A 63 -9.599 -13.760 28.316 1.00 45.52 H new ATOM 0 HG13 VAL A 63 -9.740 -14.893 26.950 1.00 45.52 H new ATOM 0 HG21 VAL A 63 -10.478 -12.724 24.867 1.00 65.14 H new ATOM 0 HG22 VAL A 63 -11.352 -14.268 24.999 1.00 65.14 H new ATOM 0 HG23 VAL A 63 -12.241 -12.731 25.108 1.00 65.14 H new ATOM 974 N ARG A 64 -11.844 -15.059 29.734 1.00 1.43 N ATOM 975 CA ARG A 64 -11.533 -15.119 31.169 1.00 42.14 C ATOM 976 C ARG A 64 -10.011 -15.101 31.396 1.00 62.20 C ATOM 977 O ARG A 64 -9.505 -14.367 32.245 1.00 41.42 O ATOM 978 CB ARG A 64 -12.156 -16.375 31.802 1.00 55.31 C ATOM 979 CG ARG A 64 -12.090 -16.387 33.327 1.00 62.02 C ATOM 980 CD ARG A 64 -12.728 -17.636 33.926 1.00 23.42 C ATOM 981 NE ARG A 64 -12.707 -17.607 35.388 1.00 71.03 N ATOM 982 CZ ARG A 64 -13.021 -18.619 36.153 1.00 1.12 C ATOM 983 NH1 ARG A 64 -13.403 -19.745 35.640 1.00 13.21 N ATOM 984 NH2 ARG A 64 -12.965 -18.491 37.437 1.00 32.40 N ATOM 0 H ARG A 64 -11.910 -15.969 29.278 1.00 1.43 H new ATOM 0 HA ARG A 64 -11.962 -14.240 31.650 1.00 42.14 H new ATOM 0 HB2 ARG A 64 -13.198 -16.450 31.491 1.00 55.31 H new ATOM 0 HB3 ARG A 64 -11.645 -17.257 31.417 1.00 55.31 H new ATOM 0 HG2 ARG A 64 -11.049 -16.327 33.644 1.00 62.02 H new ATOM 0 HG3 ARG A 64 -12.593 -15.502 33.717 1.00 62.02 H new ATOM 0 HD2 ARG A 64 -13.758 -17.721 33.579 1.00 23.42 H new ATOM 0 HD3 ARG A 64 -12.198 -18.520 33.572 1.00 23.42 H new ATOM 0 HE ARG A 64 -12.428 -16.737 35.842 1.00 71.03 H new ATOM 0 HH11 ARG A 64 -13.462 -19.850 34.627 1.00 13.21 H new ATOM 0 HH12 ARG A 64 -13.645 -20.527 36.249 1.00 13.21 H new ATOM 0 HH21 ARG A 64 -12.677 -17.603 37.849 1.00 32.40 H new ATOM 0 HH22 ARG A 64 -13.209 -19.277 38.039 1.00 32.40 H new ATOM 998 N ASN A 65 -9.296 -15.930 30.631 1.00 62.12 N ATOM 999 CA ASN A 65 -7.824 -15.969 30.649 1.00 71.11 C ATOM 1000 C ASN A 65 -7.288 -16.925 29.568 1.00 11.14 C ATOM 1001 O ASN A 65 -8.034 -17.367 28.688 1.00 3.42 O ATOM 1002 CB ASN A 65 -7.297 -16.384 32.037 1.00 21.44 C ATOM 1003 CG ASN A 65 -7.897 -17.683 32.541 1.00 21.42 C ATOM 1004 OD1 ASN A 65 -7.414 -18.768 32.242 1.00 41.20 O ATOM 1005 ND2 ASN A 65 -8.943 -17.582 33.336 1.00 62.04 N ATOM 0 H ASN A 65 -9.717 -16.594 29.981 1.00 62.12 H new ATOM 0 HA ASN A 65 -7.464 -14.963 30.433 1.00 71.11 H new ATOM 0 HB2 ASN A 65 -6.213 -16.486 31.991 1.00 21.44 H new ATOM 0 HB3 ASN A 65 -7.512 -15.590 32.752 1.00 21.44 H new ATOM 0 HD21 ASN A 65 -9.374 -18.422 33.721 1.00 62.04 H new ATOM 0 HD22 ASN A 65 -9.322 -16.663 33.566 1.00 62.04 H new ATOM 1012 N PHE A 66 -5.988 -17.211 29.619 1.00 75.31 N ATOM 1013 CA PHE A 66 -5.358 -18.193 28.721 1.00 12.43 C ATOM 1014 C PHE A 66 -4.448 -19.147 29.513 1.00 45.40 C ATOM 1015 O PHE A 66 -3.740 -18.722 30.425 1.00 15.22 O ATOM 1016 CB PHE A 66 -4.529 -17.489 27.634 1.00 2.11 C ATOM 1017 CG PHE A 66 -5.342 -16.736 26.607 1.00 12.35 C ATOM 1018 CD1 PHE A 66 -5.782 -15.443 26.855 1.00 24.03 C ATOM 1019 CD2 PHE A 66 -5.654 -17.322 25.387 1.00 12.12 C ATOM 1020 CE1 PHE A 66 -6.515 -14.753 25.908 1.00 41.23 C ATOM 1021 CE2 PHE A 66 -6.386 -16.634 24.437 1.00 51.52 C ATOM 1022 CZ PHE A 66 -6.817 -15.348 24.697 1.00 0.24 C ATOM 0 H PHE A 66 -5.341 -16.775 30.277 1.00 75.31 H new ATOM 0 HA PHE A 66 -6.155 -18.765 28.247 1.00 12.43 H new ATOM 0 HB2 PHE A 66 -3.842 -16.793 28.115 1.00 2.11 H new ATOM 0 HB3 PHE A 66 -3.921 -18.234 27.121 1.00 2.11 H new ATOM 0 HD1 PHE A 66 -5.549 -14.971 27.798 1.00 24.03 H new ATOM 0 HD2 PHE A 66 -5.321 -18.328 25.178 1.00 12.12 H new ATOM 0 HE1 PHE A 66 -6.852 -13.748 26.114 1.00 41.23 H new ATOM 0 HE2 PHE A 66 -6.621 -17.102 23.492 1.00 51.52 H new ATOM 0 HZ PHE A 66 -7.389 -14.808 23.956 1.00 0.24 H new ATOM 1032 N GLU A 67 -4.465 -20.432 29.162 1.00 41.04 N ATOM 1033 CA GLU A 67 -3.583 -21.420 29.805 1.00 10.42 C ATOM 1034 C GLU A 67 -2.614 -22.037 28.787 1.00 44.32 C ATOM 1035 O GLU A 67 -2.917 -22.127 27.599 1.00 44.31 O ATOM 1036 CB GLU A 67 -4.398 -22.542 30.466 1.00 40.42 C ATOM 1037 CG GLU A 67 -3.541 -23.526 31.265 1.00 70.41 C ATOM 1038 CD GLU A 67 -4.312 -24.749 31.735 1.00 73.43 C ATOM 1039 OE1 GLU A 67 -5.217 -24.598 32.584 1.00 45.02 O ATOM 1040 OE2 GLU A 67 -4.018 -25.866 31.260 1.00 25.55 O ATOM 0 H GLU A 67 -5.074 -20.817 28.440 1.00 41.04 H new ATOM 0 HA GLU A 67 -3.013 -20.893 30.570 1.00 10.42 H new ATOM 0 HB2 GLU A 67 -5.142 -22.099 31.128 1.00 40.42 H new ATOM 0 HB3 GLU A 67 -4.942 -23.088 29.695 1.00 40.42 H new ATOM 0 HG2 GLU A 67 -2.701 -23.849 30.650 1.00 70.41 H new ATOM 0 HG3 GLU A 67 -3.123 -23.013 32.131 1.00 70.41 H new ATOM 1047 N VAL A 68 -1.449 -22.458 29.261 1.00 74.30 N ATOM 1048 CA VAL A 68 -0.465 -23.142 28.421 1.00 62.41 C ATOM 1049 C VAL A 68 -0.471 -24.656 28.698 1.00 13.42 C ATOM 1050 O VAL A 68 -0.164 -25.089 29.806 1.00 30.43 O ATOM 1051 CB VAL A 68 0.948 -22.562 28.671 1.00 12.21 C ATOM 1052 CG1 VAL A 68 2.014 -23.339 27.906 1.00 44.22 C ATOM 1053 CG2 VAL A 68 0.986 -21.080 28.297 1.00 1.24 C ATOM 0 H VAL A 68 -1.157 -22.338 30.231 1.00 74.30 H new ATOM 0 HA VAL A 68 -0.735 -22.981 27.377 1.00 62.41 H new ATOM 0 HB VAL A 68 1.169 -22.662 29.734 1.00 12.21 H new ATOM 0 HG11 VAL A 68 2.994 -22.905 28.105 1.00 44.22 H new ATOM 0 HG12 VAL A 68 2.007 -24.380 28.228 1.00 44.22 H new ATOM 0 HG13 VAL A 68 1.805 -23.288 26.838 1.00 44.22 H new ATOM 0 HG21 VAL A 68 1.986 -20.685 28.478 1.00 1.24 H new ATOM 0 HG22 VAL A 68 0.735 -20.964 27.243 1.00 1.24 H new ATOM 0 HG23 VAL A 68 0.264 -20.533 28.904 1.00 1.24 H new ATOM 1063 N ARG A 69 -0.829 -25.457 27.691 1.00 12.24 N ATOM 1064 CA ARG A 69 -0.942 -26.918 27.861 1.00 30.22 C ATOM 1065 C ARG A 69 -0.231 -27.677 26.721 1.00 34.34 C ATOM 1066 O ARG A 69 -0.105 -27.161 25.614 1.00 32.24 O ATOM 1067 CB ARG A 69 -2.426 -27.307 27.945 1.00 62.24 C ATOM 1068 CG ARG A 69 -2.690 -28.760 28.327 1.00 3.44 C ATOM 1069 CD ARG A 69 -4.178 -29.007 28.580 1.00 62.11 C ATOM 1070 NE ARG A 69 -4.720 -28.101 29.595 1.00 53.04 N ATOM 1071 CZ ARG A 69 -5.971 -28.067 29.976 1.00 4.03 C ATOM 1072 NH1 ARG A 69 -6.841 -28.900 29.494 1.00 44.13 N ATOM 1073 NH2 ARG A 69 -6.341 -27.207 30.867 1.00 51.33 N ATOM 0 H ARG A 69 -1.046 -25.126 26.751 1.00 12.24 H new ATOM 0 HA ARG A 69 -0.445 -27.203 28.788 1.00 30.22 H new ATOM 0 HB2 ARG A 69 -2.915 -26.661 28.674 1.00 62.24 H new ATOM 0 HB3 ARG A 69 -2.893 -27.110 26.980 1.00 62.24 H new ATOM 0 HG2 ARG A 69 -2.341 -29.417 27.530 1.00 3.44 H new ATOM 0 HG3 ARG A 69 -2.120 -29.012 29.221 1.00 3.44 H new ATOM 0 HD2 ARG A 69 -4.730 -28.880 27.649 1.00 62.11 H new ATOM 0 HD3 ARG A 69 -4.325 -30.039 28.899 1.00 62.11 H new ATOM 0 HE ARG A 69 -4.074 -27.448 30.038 1.00 53.04 H new ATOM 0 HH11 ARG A 69 -6.554 -29.596 28.806 1.00 44.13 H new ATOM 0 HH12 ARG A 69 -7.812 -28.859 29.803 1.00 44.13 H new ATOM 0 HH21 ARG A 69 -5.660 -26.562 31.267 1.00 51.33 H new ATOM 0 HH22 ARG A 69 -7.314 -27.173 31.170 1.00 51.33 H new ATOM 1087 N SER A 70 0.213 -28.905 27.007 1.00 10.23 N ATOM 1088 CA SER A 70 1.072 -29.697 26.092 1.00 61.53 C ATOM 1089 C SER A 70 0.542 -29.804 24.649 1.00 42.52 C ATOM 1090 O SER A 70 -0.667 -29.795 24.405 1.00 45.11 O ATOM 1091 CB SER A 70 1.265 -31.111 26.653 1.00 0.51 C ATOM 1092 OG SER A 70 1.823 -31.071 27.953 1.00 10.11 O ATOM 0 H SER A 70 -0.008 -29.387 27.878 1.00 10.23 H new ATOM 0 HA SER A 70 2.016 -29.155 26.038 1.00 61.53 H new ATOM 0 HB2 SER A 70 0.306 -31.629 26.681 1.00 0.51 H new ATOM 0 HB3 SER A 70 1.916 -31.682 25.992 1.00 0.51 H new ATOM 0 HG SER A 70 1.935 -31.985 28.289 1.00 10.11 H new ATOM 1098 N ALA A 71 1.480 -29.916 23.701 1.00 74.21 N ATOM 1099 CA ALA A 71 1.164 -30.145 22.285 1.00 21.35 C ATOM 1100 C ALA A 71 1.991 -31.312 21.713 1.00 12.45 C ATOM 1101 O ALA A 71 3.015 -31.700 22.280 1.00 32.15 O ATOM 1102 CB ALA A 71 1.418 -28.875 21.480 1.00 0.32 C ATOM 0 H ALA A 71 2.480 -29.851 23.893 1.00 74.21 H new ATOM 0 HA ALA A 71 0.109 -30.410 22.211 1.00 21.35 H new ATOM 0 HB1 ALA A 71 1.181 -29.055 20.432 1.00 0.32 H new ATOM 0 HB2 ALA A 71 0.789 -28.071 21.861 1.00 0.32 H new ATOM 0 HB3 ALA A 71 2.466 -28.590 21.571 1.00 0.32 H new ATOM 1108 N ASP A 72 1.553 -31.857 20.577 1.00 32.01 N ATOM 1109 CA ASP A 72 2.212 -33.021 19.961 1.00 23.21 C ATOM 1110 C ASP A 72 3.556 -32.667 19.297 1.00 74.15 C ATOM 1111 O ASP A 72 4.286 -33.551 18.843 1.00 44.05 O ATOM 1112 CB ASP A 72 1.284 -33.655 18.926 1.00 31.13 C ATOM 1113 CG ASP A 72 -0.032 -34.100 19.531 1.00 42.55 C ATOM 1114 OD1 ASP A 72 -0.059 -35.170 20.177 1.00 21.44 O ATOM 1115 OD2 ASP A 72 -1.044 -33.384 19.369 1.00 23.35 O ATOM 0 H ASP A 72 0.743 -31.514 20.060 1.00 32.01 H new ATOM 0 HA ASP A 72 2.424 -33.726 20.765 1.00 23.21 H new ATOM 0 HB2 ASP A 72 1.091 -32.939 18.127 1.00 31.13 H new ATOM 0 HB3 ASP A 72 1.781 -34.512 18.472 1.00 31.13 H new ATOM 1120 N TYR A 73 3.884 -31.381 19.237 1.00 44.42 N ATOM 1121 CA TYR A 73 5.131 -30.934 18.601 1.00 22.11 C ATOM 1122 C TYR A 73 6.241 -30.681 19.635 1.00 5.40 C ATOM 1123 O TYR A 73 7.176 -29.924 19.379 1.00 30.33 O ATOM 1124 CB TYR A 73 4.870 -29.664 17.778 1.00 54.11 C ATOM 1125 CG TYR A 73 3.944 -29.889 16.593 1.00 13.24 C ATOM 1126 CD1 TYR A 73 4.451 -30.269 15.352 1.00 2.13 C ATOM 1127 CD2 TYR A 73 2.567 -29.726 16.714 1.00 14.14 C ATOM 1128 CE1 TYR A 73 3.613 -30.479 14.271 1.00 15.30 C ATOM 1129 CE2 TYR A 73 1.725 -29.934 15.636 1.00 40.21 C ATOM 1130 CZ TYR A 73 2.253 -30.311 14.419 1.00 74.11 C ATOM 1131 OH TYR A 73 1.418 -30.519 13.345 1.00 71.24 O ATOM 0 H TYR A 73 3.311 -30.628 19.617 1.00 44.42 H new ATOM 0 HA TYR A 73 5.475 -31.731 17.941 1.00 22.11 H new ATOM 0 HB2 TYR A 73 4.438 -28.902 18.427 1.00 54.11 H new ATOM 0 HB3 TYR A 73 5.821 -29.273 17.417 1.00 54.11 H new ATOM 0 HD1 TYR A 73 5.516 -30.402 15.232 1.00 2.13 H new ATOM 0 HD2 TYR A 73 2.149 -29.432 17.665 1.00 14.14 H new ATOM 0 HE1 TYR A 73 4.023 -30.773 13.316 1.00 15.30 H new ATOM 0 HE2 TYR A 73 0.659 -29.802 15.747 1.00 40.21 H new ATOM 0 HH TYR A 73 0.490 -30.360 13.617 1.00 71.24 H new ATOM 1141 N GLY A 74 6.145 -31.331 20.796 1.00 12.10 N ATOM 1142 CA GLY A 74 7.145 -31.146 21.848 1.00 23.24 C ATOM 1143 C GLY A 74 6.896 -29.894 22.686 1.00 5.42 C ATOM 1144 O GLY A 74 7.076 -29.900 23.905 1.00 74.34 O ATOM 0 H GLY A 74 5.395 -31.982 21.030 1.00 12.10 H new ATOM 0 HA2 GLY A 74 7.146 -32.020 22.500 1.00 23.24 H new ATOM 0 HA3 GLY A 74 8.135 -31.084 21.396 1.00 23.24 H new ATOM 1148 N THR A 75 6.496 -28.812 22.024 1.00 24.45 N ATOM 1149 CA THR A 75 6.129 -27.566 22.704 1.00 51.32 C ATOM 1150 C THR A 75 4.704 -27.641 23.275 1.00 21.33 C ATOM 1151 O THR A 75 4.071 -28.702 23.276 1.00 13.34 O ATOM 1152 CB THR A 75 6.212 -26.357 21.737 1.00 34.34 C ATOM 1153 OG1 THR A 75 5.266 -26.516 20.667 1.00 61.44 O ATOM 1154 CG2 THR A 75 7.616 -26.212 21.159 1.00 15.31 C ATOM 0 H THR A 75 6.416 -28.770 21.008 1.00 24.45 H new ATOM 0 HA THR A 75 6.839 -27.431 23.520 1.00 51.32 H new ATOM 0 HB THR A 75 5.976 -25.456 22.303 1.00 34.34 H new ATOM 0 HG1 THR A 75 5.324 -25.747 20.062 1.00 61.44 H new ATOM 0 HG21 THR A 75 7.645 -25.356 20.484 1.00 15.31 H new ATOM 0 HG22 THR A 75 8.329 -26.060 21.969 1.00 15.31 H new ATOM 0 HG23 THR A 75 7.879 -27.116 20.610 1.00 15.31 H new ATOM 1162 N GLN A 76 4.209 -26.514 23.779 1.00 62.43 N ATOM 1163 CA GLN A 76 2.839 -26.428 24.286 1.00 30.25 C ATOM 1164 C GLN A 76 1.947 -25.624 23.320 1.00 33.23 C ATOM 1165 O GLN A 76 2.372 -25.256 22.224 1.00 13.21 O ATOM 1166 CB GLN A 76 2.817 -25.770 25.679 1.00 2.21 C ATOM 1167 CG GLN A 76 3.673 -26.466 26.740 1.00 51.33 C ATOM 1168 CD GLN A 76 5.155 -26.133 26.632 1.00 10.43 C ATOM 1169 OE1 GLN A 76 5.917 -26.814 25.957 1.00 65.21 O ATOM 1170 NE2 GLN A 76 5.581 -25.078 27.296 1.00 25.01 N ATOM 0 H GLN A 76 4.737 -25.644 23.848 1.00 62.43 H new ATOM 0 HA GLN A 76 2.448 -27.442 24.365 1.00 30.25 H new ATOM 0 HB2 GLN A 76 3.155 -24.738 25.582 1.00 2.21 H new ATOM 0 HB3 GLN A 76 1.786 -25.736 26.031 1.00 2.21 H new ATOM 0 HG2 GLN A 76 3.315 -26.182 27.729 1.00 51.33 H new ATOM 0 HG3 GLN A 76 3.543 -27.545 26.652 1.00 51.33 H new ATOM 0 HE21 GLN A 76 4.927 -24.527 27.851 1.00 25.01 H new ATOM 0 HE22 GLN A 76 6.565 -24.813 27.255 1.00 25.01 H new ATOM 1179 N CYS A 77 0.713 -25.360 23.738 1.00 52.31 N ATOM 1180 CA CYS A 77 -0.228 -24.540 22.962 1.00 50.10 C ATOM 1181 C CYS A 77 -0.979 -23.568 23.877 1.00 41.42 C ATOM 1182 O CYS A 77 -1.148 -23.830 25.070 1.00 51.31 O ATOM 1183 CB CYS A 77 -1.246 -25.421 22.224 1.00 32.13 C ATOM 1184 SG CYS A 77 -0.542 -26.470 20.933 1.00 11.12 S ATOM 0 H CYS A 77 0.333 -25.704 24.620 1.00 52.31 H new ATOM 0 HA CYS A 77 0.353 -23.977 22.232 1.00 50.10 H new ATOM 0 HB2 CYS A 77 -1.752 -26.055 22.952 1.00 32.13 H new ATOM 0 HB3 CYS A 77 -2.005 -24.779 21.777 1.00 32.13 H new ATOM 0 HG CYS A 77 0.747 -26.303 20.893 1.00 11.12 H new ATOM 1190 N PHE A 78 -1.426 -22.449 23.315 1.00 53.45 N ATOM 1191 CA PHE A 78 -2.240 -21.482 24.054 1.00 54.42 C ATOM 1192 C PHE A 78 -3.724 -21.881 24.013 1.00 33.12 C ATOM 1193 O PHE A 78 -4.335 -21.955 22.943 1.00 41.22 O ATOM 1194 CB PHE A 78 -2.049 -20.072 23.477 1.00 44.51 C ATOM 1195 CG PHE A 78 -0.642 -19.546 23.619 1.00 23.11 C ATOM 1196 CD1 PHE A 78 -0.202 -19.032 24.830 1.00 74.21 C ATOM 1197 CD2 PHE A 78 0.239 -19.567 22.545 1.00 4.20 C ATOM 1198 CE1 PHE A 78 1.085 -18.550 24.967 1.00 63.31 C ATOM 1199 CE2 PHE A 78 1.526 -19.086 22.679 1.00 52.35 C ATOM 1200 CZ PHE A 78 1.949 -18.577 23.890 1.00 72.31 C ATOM 0 H PHE A 78 -1.239 -22.186 22.347 1.00 53.45 H new ATOM 0 HA PHE A 78 -1.913 -21.480 25.094 1.00 54.42 H new ATOM 0 HB2 PHE A 78 -2.320 -20.081 22.421 1.00 44.51 H new ATOM 0 HB3 PHE A 78 -2.736 -19.388 23.976 1.00 44.51 H new ATOM 0 HD1 PHE A 78 -0.874 -19.008 25.675 1.00 74.21 H new ATOM 0 HD2 PHE A 78 -0.087 -19.964 21.595 1.00 4.20 H new ATOM 0 HE1 PHE A 78 1.415 -18.152 25.915 1.00 63.31 H new ATOM 0 HE2 PHE A 78 2.201 -19.108 21.837 1.00 52.35 H new ATOM 0 HZ PHE A 78 2.956 -18.200 23.995 1.00 72.31 H new ATOM 1210 N TRP A 79 -4.293 -22.155 25.183 1.00 11.44 N ATOM 1211 CA TRP A 79 -5.678 -22.616 25.285 1.00 21.11 C ATOM 1212 C TRP A 79 -6.662 -21.473 25.564 1.00 73.21 C ATOM 1213 O TRP A 79 -6.418 -20.590 26.391 1.00 54.43 O ATOM 1214 CB TRP A 79 -5.793 -23.711 26.353 1.00 12.51 C ATOM 1215 CG TRP A 79 -5.259 -25.036 25.884 1.00 44.21 C ATOM 1216 CD1 TRP A 79 -3.958 -25.353 25.611 1.00 54.44 C ATOM 1217 CD2 TRP A 79 -6.021 -26.218 25.617 1.00 31.45 C ATOM 1218 NE1 TRP A 79 -3.869 -26.660 25.194 1.00 24.32 N ATOM 1219 CE2 TRP A 79 -5.121 -27.212 25.193 1.00 71.24 C ATOM 1220 CE3 TRP A 79 -7.380 -26.530 25.702 1.00 50.12 C ATOM 1221 CZ2 TRP A 79 -5.538 -28.495 24.850 1.00 20.14 C ATOM 1222 CZ3 TRP A 79 -7.796 -27.801 25.361 1.00 61.41 C ATOM 1223 CH2 TRP A 79 -6.876 -28.774 24.942 1.00 54.12 C ATOM 0 H TRP A 79 -3.815 -22.066 26.080 1.00 11.44 H new ATOM 0 HA TRP A 79 -5.954 -23.031 24.316 1.00 21.11 H new ATOM 0 HB2 TRP A 79 -5.250 -23.401 27.246 1.00 12.51 H new ATOM 0 HB3 TRP A 79 -6.839 -23.826 26.639 1.00 12.51 H new ATOM 0 HD1 TRP A 79 -3.122 -24.676 25.709 1.00 54.44 H new ATOM 0 HE1 TRP A 79 -3.009 -27.140 24.928 1.00 24.32 H new ATOM 0 HE3 TRP A 79 -8.094 -25.788 26.029 1.00 50.12 H new ATOM 0 HZ2 TRP A 79 -4.832 -29.244 24.523 1.00 20.14 H new ATOM 0 HZ3 TRP A 79 -8.845 -28.050 25.418 1.00 61.41 H new ATOM 0 HH2 TRP A 79 -7.230 -29.762 24.687 1.00 54.12 H new ATOM 1234 N ILE A 80 -7.781 -21.524 24.857 1.00 70.42 N ATOM 1235 CA ILE A 80 -8.826 -20.508 24.926 1.00 22.32 C ATOM 1236 C ILE A 80 -9.757 -20.722 26.137 1.00 33.40 C ATOM 1237 O ILE A 80 -10.749 -21.447 26.051 1.00 22.14 O ATOM 1238 CB ILE A 80 -9.660 -20.528 23.614 1.00 15.32 C ATOM 1239 CG1 ILE A 80 -8.745 -20.323 22.395 1.00 62.04 C ATOM 1240 CG2 ILE A 80 -10.761 -19.473 23.639 1.00 52.04 C ATOM 1241 CD1 ILE A 80 -9.468 -20.404 21.066 1.00 22.05 C ATOM 0 H ILE A 80 -7.994 -22.283 24.209 1.00 70.42 H new ATOM 0 HA ILE A 80 -8.342 -19.539 25.047 1.00 22.32 H new ATOM 0 HB ILE A 80 -10.137 -21.505 23.535 1.00 15.32 H new ATOM 0 HG12 ILE A 80 -8.261 -19.350 22.476 1.00 62.04 H new ATOM 0 HG13 ILE A 80 -7.956 -21.074 22.415 1.00 62.04 H new ATOM 0 HG21 ILE A 80 -11.325 -19.514 22.707 1.00 52.04 H new ATOM 0 HG22 ILE A 80 -11.431 -19.666 24.477 1.00 52.04 H new ATOM 0 HG23 ILE A 80 -10.315 -18.485 23.750 1.00 52.04 H new ATOM 0 HD11 ILE A 80 -8.757 -20.249 20.255 1.00 22.05 H new ATOM 0 HD12 ILE A 80 -9.929 -21.386 20.962 1.00 22.05 H new ATOM 0 HD13 ILE A 80 -10.239 -19.635 21.024 1.00 22.05 H new ATOM 1253 N LEU A 81 -9.421 -20.103 27.271 1.00 34.24 N ATOM 1254 CA LEU A 81 -10.275 -20.156 28.469 1.00 63.23 C ATOM 1255 C LEU A 81 -11.412 -19.127 28.377 1.00 75.22 C ATOM 1256 O LEU A 81 -11.174 -17.913 28.310 1.00 43.41 O ATOM 1257 CB LEU A 81 -9.445 -19.915 29.746 1.00 23.00 C ATOM 1258 CG LEU A 81 -8.686 -21.138 30.296 1.00 4.22 C ATOM 1259 CD1 LEU A 81 -9.668 -22.200 30.779 1.00 24.11 C ATOM 1260 CD2 LEU A 81 -7.735 -21.716 29.251 1.00 62.23 C ATOM 0 H LEU A 81 -8.566 -19.559 27.389 1.00 34.24 H new ATOM 0 HA LEU A 81 -10.712 -21.153 28.522 1.00 63.23 H new ATOM 0 HB2 LEU A 81 -8.723 -19.125 29.543 1.00 23.00 H new ATOM 0 HB3 LEU A 81 -10.112 -19.545 30.525 1.00 23.00 H new ATOM 0 HG LEU A 81 -8.085 -20.809 31.144 1.00 4.22 H new ATOM 0 HD11 LEU A 81 -9.116 -23.057 31.164 1.00 24.11 H new ATOM 0 HD12 LEU A 81 -10.293 -21.785 31.570 1.00 24.11 H new ATOM 0 HD13 LEU A 81 -10.298 -22.518 29.948 1.00 24.11 H new ATOM 0 HD21 LEU A 81 -7.215 -22.577 29.670 1.00 62.23 H new ATOM 0 HD22 LEU A 81 -8.303 -22.026 28.374 1.00 62.23 H new ATOM 0 HD23 LEU A 81 -7.007 -20.958 28.962 1.00 62.23 H new ATOM 1272 N ARG A 82 -12.650 -19.613 28.354 1.00 34.52 N ATOM 1273 CA ARG A 82 -13.825 -18.743 28.237 1.00 51.43 C ATOM 1274 C ARG A 82 -14.530 -18.548 29.583 1.00 11.24 C ATOM 1275 O ARG A 82 -14.515 -19.432 30.440 1.00 71.01 O ATOM 1276 CB ARG A 82 -14.809 -19.326 27.214 1.00 11.42 C ATOM 1277 CG ARG A 82 -14.253 -19.445 25.793 1.00 11.51 C ATOM 1278 CD ARG A 82 -13.830 -18.095 25.208 1.00 0.45 C ATOM 1279 NE ARG A 82 -12.567 -17.602 25.769 1.00 41.31 N ATOM 1280 CZ ARG A 82 -11.730 -16.824 25.140 1.00 63.43 C ATOM 1281 NH1 ARG A 82 -11.969 -16.443 23.923 1.00 23.43 N ATOM 1282 NH2 ARG A 82 -10.631 -16.463 25.720 1.00 55.24 N ATOM 0 H ARG A 82 -12.870 -20.607 28.415 1.00 34.52 H new ATOM 0 HA ARG A 82 -13.478 -17.766 27.900 1.00 51.43 H new ATOM 0 HB2 ARG A 82 -15.121 -20.314 27.552 1.00 11.42 H new ATOM 0 HB3 ARG A 82 -15.701 -18.700 27.190 1.00 11.42 H new ATOM 0 HG2 ARG A 82 -13.396 -20.119 25.798 1.00 11.51 H new ATOM 0 HG3 ARG A 82 -15.008 -19.895 25.148 1.00 11.51 H new ATOM 0 HD2 ARG A 82 -13.730 -18.188 24.127 1.00 0.45 H new ATOM 0 HD3 ARG A 82 -14.615 -17.362 25.393 1.00 0.45 H new ATOM 0 HE ARG A 82 -12.326 -17.888 26.718 1.00 41.31 H new ATOM 0 HH11 ARG A 82 -12.818 -16.752 23.449 1.00 23.43 H new ATOM 0 HH12 ARG A 82 -11.308 -15.835 23.440 1.00 23.43 H new ATOM 0 HH21 ARG A 82 -10.423 -16.787 26.665 1.00 55.24 H new ATOM 0 HH22 ARG A 82 -9.973 -15.855 25.233 1.00 55.24 H new ATOM 1296 N THR A 83 -15.162 -17.385 29.757 1.00 71.12 N ATOM 1297 CA THR A 83 -15.964 -17.108 30.959 1.00 62.22 C ATOM 1298 C THR A 83 -17.123 -18.106 31.085 1.00 12.34 C ATOM 1299 O THR A 83 -17.695 -18.284 32.157 1.00 64.42 O ATOM 1300 CB THR A 83 -16.537 -15.674 30.940 1.00 74.41 C ATOM 1301 OG1 THR A 83 -17.308 -15.477 29.749 1.00 51.15 O ATOM 1302 CG2 THR A 83 -15.423 -14.635 31.008 1.00 73.23 C ATOM 0 H THR A 83 -15.136 -16.619 29.084 1.00 71.12 H new ATOM 0 HA THR A 83 -15.298 -17.211 31.816 1.00 62.22 H new ATOM 0 HB THR A 83 -17.174 -15.550 31.816 1.00 74.41 H new ATOM 0 HG1 THR A 83 -17.671 -14.567 29.741 1.00 51.15 H new ATOM 0 HG21 THR A 83 -15.857 -13.635 30.993 1.00 73.23 H new ATOM 0 HG22 THR A 83 -14.855 -14.770 31.928 1.00 73.23 H new ATOM 0 HG23 THR A 83 -14.760 -14.756 30.151 1.00 73.23 H new ATOM 1310 N ASP A 84 -17.458 -18.743 29.965 1.00 71.11 N ATOM 1311 CA ASP A 84 -18.422 -19.846 29.932 1.00 32.13 C ATOM 1312 C ASP A 84 -18.070 -20.931 30.964 1.00 63.52 C ATOM 1313 O ASP A 84 -18.913 -21.343 31.764 1.00 75.03 O ATOM 1314 CB ASP A 84 -18.432 -20.448 28.521 1.00 12.34 C ATOM 1315 CG ASP A 84 -19.336 -21.663 28.397 1.00 31.10 C ATOM 1316 OD1 ASP A 84 -18.863 -22.791 28.651 1.00 30.34 O ATOM 1317 OD2 ASP A 84 -20.517 -21.498 28.033 1.00 63.32 O ATOM 0 H ASP A 84 -17.069 -18.510 29.051 1.00 71.11 H new ATOM 0 HA ASP A 84 -19.409 -19.459 30.186 1.00 32.13 H new ATOM 0 HB2 ASP A 84 -18.756 -19.688 27.810 1.00 12.34 H new ATOM 0 HB3 ASP A 84 -17.416 -20.729 28.245 1.00 12.34 H new ATOM 1322 N GLY A 85 -16.813 -21.372 30.943 1.00 75.05 N ATOM 1323 CA GLY A 85 -16.368 -22.453 31.819 1.00 71.11 C ATOM 1324 C GLY A 85 -15.486 -23.468 31.096 1.00 72.25 C ATOM 1325 O GLY A 85 -14.572 -24.049 31.689 1.00 12.43 O ATOM 0 H GLY A 85 -16.088 -20.998 30.331 1.00 75.05 H new ATOM 0 HA2 GLY A 85 -15.817 -22.031 32.659 1.00 71.11 H new ATOM 0 HA3 GLY A 85 -17.238 -22.963 32.232 1.00 71.11 H new ATOM 1329 N SER A 86 -15.760 -23.680 29.811 1.00 72.22 N ATOM 1330 CA SER A 86 -14.985 -24.627 28.993 1.00 52.22 C ATOM 1331 C SER A 86 -13.738 -23.962 28.392 1.00 63.02 C ATOM 1332 O SER A 86 -13.578 -22.737 28.450 1.00 32.23 O ATOM 1333 CB SER A 86 -15.856 -25.187 27.860 1.00 12.21 C ATOM 1334 OG SER A 86 -16.234 -24.164 26.949 1.00 75.22 O ATOM 0 H SER A 86 -16.513 -23.211 29.307 1.00 72.22 H new ATOM 0 HA SER A 86 -14.664 -25.438 29.647 1.00 52.22 H new ATOM 0 HB2 SER A 86 -15.310 -25.967 27.329 1.00 12.21 H new ATOM 0 HB3 SER A 86 -16.748 -25.652 28.279 1.00 12.21 H new ATOM 0 HG SER A 86 -16.787 -24.548 26.237 1.00 75.22 H new ATOM 1340 N GLU A 87 -12.854 -24.774 27.813 1.00 22.40 N ATOM 1341 CA GLU A 87 -11.645 -24.260 27.163 1.00 44.43 C ATOM 1342 C GLU A 87 -11.416 -24.900 25.784 1.00 62.12 C ATOM 1343 O GLU A 87 -11.611 -26.104 25.596 1.00 23.33 O ATOM 1344 CB GLU A 87 -10.402 -24.476 28.048 1.00 72.45 C ATOM 1345 CG GLU A 87 -10.074 -25.937 28.365 1.00 41.13 C ATOM 1346 CD GLU A 87 -11.050 -26.580 29.340 1.00 22.44 C ATOM 1347 OE1 GLU A 87 -10.964 -26.293 30.554 1.00 31.12 O ATOM 1348 OE2 GLU A 87 -11.900 -27.384 28.902 1.00 12.44 O ATOM 0 H GLU A 87 -12.950 -25.789 27.780 1.00 22.40 H new ATOM 0 HA GLU A 87 -11.799 -23.190 27.021 1.00 44.43 H new ATOM 0 HB2 GLU A 87 -9.541 -24.026 27.554 1.00 72.45 H new ATOM 0 HB3 GLU A 87 -10.546 -23.941 28.987 1.00 72.45 H new ATOM 0 HG2 GLU A 87 -10.069 -26.510 27.438 1.00 41.13 H new ATOM 0 HG3 GLU A 87 -9.068 -25.994 28.780 1.00 41.13 H new ATOM 1355 N GLU A 88 -11.025 -24.080 24.817 1.00 32.41 N ATOM 1356 CA GLU A 88 -10.628 -24.571 23.494 1.00 72.13 C ATOM 1357 C GLU A 88 -9.117 -24.393 23.289 1.00 64.11 C ATOM 1358 O GLU A 88 -8.396 -24.045 24.220 1.00 64.33 O ATOM 1359 CB GLU A 88 -11.408 -23.843 22.387 1.00 52.32 C ATOM 1360 CG GLU A 88 -12.909 -24.122 22.403 1.00 71.30 C ATOM 1361 CD GLU A 88 -13.617 -23.610 21.157 1.00 22.41 C ATOM 1362 OE1 GLU A 88 -13.416 -24.203 20.070 1.00 11.10 O ATOM 1363 OE2 GLU A 88 -14.369 -22.619 21.247 1.00 33.21 O ATOM 0 H GLU A 88 -10.973 -23.067 24.920 1.00 32.41 H new ATOM 0 HA GLU A 88 -10.865 -25.633 23.438 1.00 72.13 H new ATOM 0 HB2 GLU A 88 -11.247 -22.770 22.488 1.00 52.32 H new ATOM 0 HB3 GLU A 88 -11.004 -24.136 21.418 1.00 52.32 H new ATOM 0 HG2 GLU A 88 -13.073 -25.196 22.493 1.00 71.30 H new ATOM 0 HG3 GLU A 88 -13.351 -23.656 23.284 1.00 71.30 H new ATOM 1370 N ARG A 89 -8.634 -24.636 22.075 1.00 51.11 N ATOM 1371 CA ARG A 89 -7.204 -24.478 21.777 1.00 22.31 C ATOM 1372 C ARG A 89 -6.981 -23.891 20.375 1.00 73.32 C ATOM 1373 O ARG A 89 -7.666 -24.265 19.419 1.00 22.41 O ATOM 1374 CB ARG A 89 -6.495 -25.835 21.892 1.00 65.22 C ATOM 1375 CG ARG A 89 -6.961 -26.857 20.860 1.00 12.31 C ATOM 1376 CD ARG A 89 -6.263 -28.204 21.016 1.00 34.14 C ATOM 1377 NE ARG A 89 -6.522 -29.082 19.875 1.00 1.43 N ATOM 1378 CZ ARG A 89 -7.236 -30.175 19.926 1.00 21.04 C ATOM 1379 NH1 ARG A 89 -7.840 -30.525 21.018 1.00 14.11 N ATOM 1380 NH2 ARG A 89 -7.364 -30.902 18.866 1.00 41.22 N ATOM 0 H ARG A 89 -9.201 -24.941 21.284 1.00 51.11 H new ATOM 0 HA ARG A 89 -6.785 -23.781 22.503 1.00 22.31 H new ATOM 0 HB2 ARG A 89 -5.421 -25.685 21.783 1.00 65.22 H new ATOM 0 HB3 ARG A 89 -6.660 -26.238 22.891 1.00 65.22 H new ATOM 0 HG2 ARG A 89 -8.038 -26.997 20.952 1.00 12.31 H new ATOM 0 HG3 ARG A 89 -6.775 -26.469 19.859 1.00 12.31 H new ATOM 0 HD2 ARG A 89 -5.189 -28.048 21.119 1.00 34.14 H new ATOM 0 HD3 ARG A 89 -6.604 -28.687 21.932 1.00 34.14 H new ATOM 0 HE ARG A 89 -6.116 -28.823 18.976 1.00 1.43 H new ATOM 0 HH11 ARG A 89 -7.761 -29.944 21.853 1.00 14.11 H new ATOM 0 HH12 ARG A 89 -8.394 -31.381 21.043 1.00 14.11 H new ATOM 0 HH21 ARG A 89 -6.909 -30.621 17.997 1.00 41.22 H new ATOM 0 HH22 ARG A 89 -7.920 -31.757 18.898 1.00 41.22 H new ATOM 1394 N PHE A 90 -6.022 -22.974 20.251 1.00 3.13 N ATOM 1395 CA PHE A 90 -5.640 -22.436 18.940 1.00 13.23 C ATOM 1396 C PHE A 90 -4.114 -22.458 18.766 1.00 25.25 C ATOM 1397 O PHE A 90 -3.364 -21.992 19.626 1.00 41.13 O ATOM 1398 CB PHE A 90 -6.194 -21.012 18.734 1.00 41.25 C ATOM 1399 CG PHE A 90 -5.500 -19.925 19.526 1.00 73.12 C ATOM 1400 CD1 PHE A 90 -5.671 -19.819 20.899 1.00 4.21 C ATOM 1401 CD2 PHE A 90 -4.691 -18.993 18.885 1.00 62.34 C ATOM 1402 CE1 PHE A 90 -5.052 -18.811 21.614 1.00 11.31 C ATOM 1403 CE2 PHE A 90 -4.068 -17.987 19.596 1.00 72.32 C ATOM 1404 CZ PHE A 90 -4.249 -17.895 20.961 1.00 72.23 C ATOM 0 H PHE A 90 -5.496 -22.588 21.035 1.00 3.13 H new ATOM 0 HA PHE A 90 -6.081 -23.077 18.177 1.00 13.23 H new ATOM 0 HB2 PHE A 90 -6.128 -20.764 17.675 1.00 41.25 H new ATOM 0 HB3 PHE A 90 -7.252 -21.010 18.997 1.00 41.25 H new ATOM 0 HD1 PHE A 90 -6.296 -20.533 21.415 1.00 4.21 H new ATOM 0 HD2 PHE A 90 -4.548 -19.057 17.816 1.00 62.34 H new ATOM 0 HE1 PHE A 90 -5.196 -18.739 22.682 1.00 11.31 H new ATOM 0 HE2 PHE A 90 -3.440 -17.273 19.085 1.00 72.32 H new ATOM 0 HZ PHE A 90 -3.764 -17.108 21.519 1.00 72.23 H new ATOM 1414 N SER A 91 -3.657 -23.021 17.656 1.00 61.54 N ATOM 1415 CA SER A 91 -2.224 -23.123 17.374 1.00 13.13 C ATOM 1416 C SER A 91 -1.744 -21.942 16.515 1.00 3.21 C ATOM 1417 O SER A 91 -2.008 -21.873 15.313 1.00 61.01 O ATOM 1418 CB SER A 91 -1.917 -24.461 16.684 1.00 11.01 C ATOM 1419 OG SER A 91 -2.709 -24.629 15.524 1.00 73.10 O ATOM 0 H SER A 91 -4.256 -23.416 16.932 1.00 61.54 H new ATOM 0 HA SER A 91 -1.683 -23.085 18.319 1.00 13.13 H new ATOM 0 HB2 SER A 91 -0.861 -24.502 16.416 1.00 11.01 H new ATOM 0 HB3 SER A 91 -2.102 -25.282 17.377 1.00 11.01 H new ATOM 0 HG SER A 91 -3.259 -25.435 15.617 1.00 73.10 H new ATOM 1425 N TYR A 92 -1.032 -21.012 17.153 1.00 13.34 N ATOM 1426 CA TYR A 92 -0.564 -19.777 16.502 1.00 12.14 C ATOM 1427 C TYR A 92 0.253 -20.036 15.216 1.00 23.24 C ATOM 1428 O TYR A 92 0.339 -19.162 14.345 1.00 42.53 O ATOM 1429 CB TYR A 92 0.256 -18.942 17.503 1.00 33.31 C ATOM 1430 CG TYR A 92 1.478 -19.653 18.069 1.00 43.44 C ATOM 1431 CD1 TYR A 92 1.347 -20.631 19.051 1.00 43.50 C ATOM 1432 CD2 TYR A 92 2.758 -19.340 17.627 1.00 32.40 C ATOM 1433 CE1 TYR A 92 2.456 -21.275 19.570 1.00 72.22 C ATOM 1434 CE2 TYR A 92 3.869 -19.980 18.141 1.00 11.54 C ATOM 1435 CZ TYR A 92 3.714 -20.946 19.111 1.00 23.41 C ATOM 1436 OH TYR A 92 4.820 -21.583 19.624 1.00 72.14 O ATOM 0 H TYR A 92 -0.761 -21.089 18.133 1.00 13.34 H new ATOM 0 HA TYR A 92 -1.450 -19.224 16.192 1.00 12.14 H new ATOM 0 HB2 TYR A 92 0.581 -18.025 17.011 1.00 33.31 H new ATOM 0 HB3 TYR A 92 -0.392 -18.649 18.329 1.00 33.31 H new ATOM 0 HD1 TYR A 92 0.364 -20.891 19.414 1.00 43.50 H new ATOM 0 HD2 TYR A 92 2.886 -18.583 16.868 1.00 32.40 H new ATOM 0 HE1 TYR A 92 2.337 -22.032 20.331 1.00 72.22 H new ATOM 0 HE2 TYR A 92 4.856 -19.724 17.784 1.00 11.54 H new ATOM 0 HH TYR A 92 5.628 -21.235 19.192 1.00 72.14 H new ATOM 1446 N LYS A 93 0.845 -21.228 15.091 1.00 52.34 N ATOM 1447 CA LYS A 93 1.636 -21.574 13.897 1.00 21.34 C ATOM 1448 C LYS A 93 0.730 -21.968 12.713 1.00 34.11 C ATOM 1449 O LYS A 93 1.129 -21.872 11.555 1.00 2.54 O ATOM 1450 CB LYS A 93 2.622 -22.714 14.208 1.00 41.11 C ATOM 1451 CG LYS A 93 2.005 -24.113 14.171 1.00 71.55 C ATOM 1452 CD LYS A 93 3.028 -25.193 14.524 1.00 73.31 C ATOM 1453 CE LYS A 93 2.514 -26.593 14.195 1.00 23.13 C ATOM 1454 NZ LYS A 93 2.440 -26.833 12.723 1.00 23.13 N ATOM 0 H LYS A 93 0.795 -21.966 15.793 1.00 52.34 H new ATOM 0 HA LYS A 93 2.200 -20.686 13.612 1.00 21.34 H new ATOM 0 HB2 LYS A 93 3.443 -22.673 13.492 1.00 41.11 H new ATOM 0 HB3 LYS A 93 3.052 -22.546 15.195 1.00 41.11 H new ATOM 0 HG2 LYS A 93 1.170 -24.161 14.870 1.00 71.55 H new ATOM 0 HG3 LYS A 93 1.601 -24.306 13.177 1.00 71.55 H new ATOM 0 HD2 LYS A 93 3.954 -25.009 13.979 1.00 73.31 H new ATOM 0 HD3 LYS A 93 3.267 -25.134 15.586 1.00 73.31 H new ATOM 0 HE2 LYS A 93 3.169 -27.336 14.650 1.00 23.13 H new ATOM 0 HE3 LYS A 93 1.526 -26.728 14.634 1.00 23.13 H new ATOM 0 HZ1 LYS A 93 2.302 -27.848 12.543 1.00 23.13 H new ATOM 0 HZ2 LYS A 93 1.642 -26.299 12.324 1.00 23.13 H new ATOM 0 HZ3 LYS A 93 3.325 -26.519 12.275 1.00 23.13 H new ATOM 1468 N LYS A 94 -0.486 -22.420 13.015 1.00 70.23 N ATOM 1469 CA LYS A 94 -1.463 -22.789 11.979 1.00 44.11 C ATOM 1470 C LYS A 94 -2.191 -21.555 11.431 1.00 44.33 C ATOM 1471 O LYS A 94 -2.710 -21.565 10.314 1.00 1.23 O ATOM 1472 CB LYS A 94 -2.486 -23.772 12.554 1.00 73.44 C ATOM 1473 CG LYS A 94 -1.943 -25.181 12.789 1.00 31.15 C ATOM 1474 CD LYS A 94 -1.901 -26.002 11.506 1.00 74.14 C ATOM 1475 CE LYS A 94 -3.295 -26.172 10.902 1.00 41.24 C ATOM 1476 NZ LYS A 94 -4.281 -26.709 11.883 1.00 74.42 N ATOM 0 H LYS A 94 -0.824 -22.542 13.970 1.00 70.23 H new ATOM 0 HA LYS A 94 -0.920 -23.258 11.159 1.00 44.11 H new ATOM 0 HB2 LYS A 94 -2.860 -23.377 13.499 1.00 73.44 H new ATOM 0 HB3 LYS A 94 -3.336 -23.832 11.875 1.00 73.44 H new ATOM 0 HG2 LYS A 94 -0.940 -25.117 13.210 1.00 31.15 H new ATOM 0 HG3 LYS A 94 -2.565 -25.691 13.524 1.00 31.15 H new ATOM 0 HD2 LYS A 94 -1.247 -25.515 10.783 1.00 74.14 H new ATOM 0 HD3 LYS A 94 -1.472 -26.982 11.714 1.00 74.14 H new ATOM 0 HE2 LYS A 94 -3.646 -25.210 10.529 1.00 41.24 H new ATOM 0 HE3 LYS A 94 -3.237 -26.844 10.046 1.00 41.24 H new ATOM 0 HZ1 LYS A 94 -5.159 -26.965 11.388 1.00 74.42 H new ATOM 0 HZ2 LYS A 94 -3.886 -27.552 12.346 1.00 74.42 H new ATOM 0 HZ3 LYS A 94 -4.487 -25.985 12.600 1.00 74.42 H new ATOM 1490 N CYS A 95 -2.226 -20.491 12.229 1.00 10.03 N ATOM 1491 CA CYS A 95 -2.888 -19.246 11.835 1.00 41.03 C ATOM 1492 C CYS A 95 -1.975 -18.414 10.929 1.00 74.13 C ATOM 1493 O CYS A 95 -1.570 -17.304 11.283 1.00 73.11 O ATOM 1494 CB CYS A 95 -3.284 -18.432 13.078 1.00 21.11 C ATOM 1495 SG CYS A 95 -4.413 -19.286 14.205 1.00 24.31 S ATOM 0 H CYS A 95 -1.802 -20.464 13.157 1.00 10.03 H new ATOM 0 HA CYS A 95 -3.791 -19.500 11.280 1.00 41.03 H new ATOM 0 HB2 CYS A 95 -2.380 -18.163 13.624 1.00 21.11 H new ATOM 0 HB3 CYS A 95 -3.749 -17.501 12.754 1.00 21.11 H new ATOM 0 HG CYS A 95 -4.681 -18.516 15.217 1.00 24.31 H new ATOM 1501 N VAL A 96 -1.623 -18.981 9.775 1.00 75.31 N ATOM 1502 CA VAL A 96 -0.751 -18.311 8.802 1.00 0.30 C ATOM 1503 C VAL A 96 -1.384 -18.322 7.399 1.00 72.54 C ATOM 1504 O VAL A 96 -1.958 -17.328 6.948 1.00 53.10 O ATOM 1505 CB VAL A 96 0.648 -18.986 8.724 1.00 73.03 C ATOM 1506 CG1 VAL A 96 1.582 -18.201 7.803 1.00 53.53 C ATOM 1507 CG2 VAL A 96 1.262 -19.144 10.112 1.00 53.11 C ATOM 0 H VAL A 96 -1.930 -19.910 9.487 1.00 75.31 H new ATOM 0 HA VAL A 96 -0.630 -17.283 9.144 1.00 0.30 H new ATOM 0 HB VAL A 96 0.514 -19.982 8.302 1.00 73.03 H new ATOM 0 HG11 VAL A 96 2.554 -18.693 7.765 1.00 53.53 H new ATOM 0 HG12 VAL A 96 1.156 -18.162 6.801 1.00 53.53 H new ATOM 0 HG13 VAL A 96 1.703 -17.188 8.186 1.00 53.53 H new ATOM 0 HG21 VAL A 96 2.239 -19.619 10.026 1.00 53.11 H new ATOM 0 HG22 VAL A 96 1.375 -18.163 10.574 1.00 53.11 H new ATOM 0 HG23 VAL A 96 0.611 -19.763 10.729 1.00 53.11 H new ATOM 1517 N LEU A 97 -1.286 -19.471 6.727 1.00 72.21 N ATOM 1518 CA LEU A 97 -1.809 -19.640 5.367 1.00 32.40 C ATOM 1519 C LEU A 97 -2.051 -21.131 5.082 1.00 1.11 C ATOM 1520 O LEU A 97 -3.182 -21.556 4.845 1.00 23.11 O ATOM 1521 CB LEU A 97 -0.821 -19.030 4.345 1.00 64.42 C ATOM 1522 CG LEU A 97 -1.339 -18.844 2.898 1.00 0.11 C ATOM 1523 CD1 LEU A 97 -0.417 -17.903 2.123 1.00 0.43 C ATOM 1524 CD2 LEU A 97 -1.458 -20.182 2.163 1.00 53.14 C ATOM 0 H LEU A 97 -0.844 -20.308 7.107 1.00 72.21 H new ATOM 0 HA LEU A 97 -2.761 -19.117 5.275 1.00 32.40 H new ATOM 0 HB2 LEU A 97 -0.503 -18.057 4.719 1.00 64.42 H new ATOM 0 HB3 LEU A 97 0.065 -19.664 4.310 1.00 64.42 H new ATOM 0 HG LEU A 97 -2.335 -18.406 2.959 1.00 0.11 H new ATOM 0 HD11 LEU A 97 -0.793 -17.781 1.107 1.00 0.43 H new ATOM 0 HD12 LEU A 97 -0.388 -16.933 2.618 1.00 0.43 H new ATOM 0 HD13 LEU A 97 0.588 -18.324 2.090 1.00 0.43 H new ATOM 0 HD21 LEU A 97 -1.825 -20.010 1.151 1.00 53.14 H new ATOM 0 HD22 LEU A 97 -0.480 -20.661 2.118 1.00 53.14 H new ATOM 0 HD23 LEU A 97 -2.155 -20.829 2.696 1.00 53.14 H new ATOM 1536 N GLU A 98 -0.978 -21.921 5.116 1.00 3.02 N ATOM 1537 CA GLU A 98 -1.068 -23.365 4.882 1.00 63.14 C ATOM 1538 C GLU A 98 -1.370 -24.131 6.186 1.00 13.22 C ATOM 1539 O GLU A 98 -0.685 -23.958 7.196 1.00 22.20 O ATOM 1540 CB GLU A 98 0.236 -23.883 4.237 1.00 43.10 C ATOM 1541 CG GLU A 98 1.499 -23.633 5.064 1.00 52.11 C ATOM 1542 CD GLU A 98 2.776 -24.041 4.333 1.00 41.34 C ATOM 1543 OE1 GLU A 98 3.304 -23.222 3.549 1.00 4.02 O ATOM 1544 OE2 GLU A 98 3.259 -25.178 4.539 1.00 51.22 O ATOM 0 H GLU A 98 -0.033 -21.586 5.304 1.00 3.02 H new ATOM 0 HA GLU A 98 -1.896 -23.544 4.196 1.00 63.14 H new ATOM 0 HB2 GLU A 98 0.138 -24.954 4.062 1.00 43.10 H new ATOM 0 HB3 GLU A 98 0.356 -23.410 3.262 1.00 43.10 H new ATOM 0 HG2 GLU A 98 1.556 -22.575 5.322 1.00 52.11 H new ATOM 0 HG3 GLU A 98 1.430 -24.186 6.001 1.00 52.11 H new ATOM 1551 N HIS A 99 -2.403 -24.979 6.160 1.00 0.52 N ATOM 1552 CA HIS A 99 -2.756 -25.818 7.320 1.00 12.13 C ATOM 1553 C HIS A 99 -1.833 -27.050 7.409 1.00 4.32 C ATOM 1554 O HIS A 99 -2.274 -28.168 7.693 1.00 54.34 O ATOM 1555 CB HIS A 99 -4.234 -26.246 7.236 1.00 13.13 C ATOM 1556 CG HIS A 99 -4.618 -26.912 5.947 1.00 45.41 C ATOM 1557 ND1 HIS A 99 -5.304 -26.262 4.948 1.00 3.14 N ATOM 1558 CD2 HIS A 99 -4.437 -28.182 5.505 1.00 4.24 C ATOM 1559 CE1 HIS A 99 -5.529 -27.093 3.952 1.00 22.30 C ATOM 1560 NE2 HIS A 99 -5.014 -28.264 4.263 1.00 14.23 N ATOM 0 H HIS A 99 -3.012 -25.106 5.351 1.00 0.52 H new ATOM 0 HA HIS A 99 -2.616 -25.230 8.227 1.00 12.13 H new ATOM 0 HB2 HIS A 99 -4.449 -26.927 8.060 1.00 13.13 H new ATOM 0 HB3 HIS A 99 -4.862 -25.366 7.377 1.00 13.13 H new ATOM 0 HD2 HIS A 99 -3.933 -28.979 6.032 1.00 4.24 H new ATOM 0 HE1 HIS A 99 -6.048 -26.855 3.035 1.00 22.30 H new ATOM 0 HE2 HIS A 99 -5.040 -29.097 3.676 1.00 14.23 H new ATOM 1569 N HIS A 100 -0.540 -26.804 7.229 1.00 30.41 N ATOM 1570 CA HIS A 100 0.458 -27.860 7.035 1.00 33.22 C ATOM 1571 C HIS A 100 1.073 -28.335 8.368 1.00 31.24 C ATOM 1572 O HIS A 100 1.453 -27.526 9.216 1.00 4.24 O ATOM 1573 CB HIS A 100 1.544 -27.313 6.100 1.00 50.11 C ATOM 1574 CG HIS A 100 2.512 -28.326 5.576 1.00 61.44 C ATOM 1575 ND1 HIS A 100 3.720 -27.974 5.017 1.00 60.32 N ATOM 1576 CD2 HIS A 100 2.443 -29.674 5.492 1.00 64.44 C ATOM 1577 CE1 HIS A 100 4.350 -29.057 4.615 1.00 34.44 C ATOM 1578 NE2 HIS A 100 3.597 -30.100 4.892 1.00 41.43 N ATOM 0 H HIS A 100 -0.148 -25.862 7.213 1.00 30.41 H new ATOM 0 HA HIS A 100 -0.025 -28.733 6.596 1.00 33.22 H new ATOM 0 HB2 HIS A 100 1.059 -26.827 5.253 1.00 50.11 H new ATOM 0 HB3 HIS A 100 2.103 -26.543 6.632 1.00 50.11 H new ATOM 0 HD1 HIS A 100 4.072 -27.021 4.928 1.00 60.32 H new ATOM 0 HD2 HIS A 100 1.630 -30.297 5.834 1.00 64.44 H new ATOM 0 HE1 HIS A 100 5.319 -29.085 4.139 1.00 34.44 H new ATOM 1587 N HIS A 101 1.179 -29.658 8.535 1.00 51.04 N ATOM 1588 CA HIS A 101 1.762 -30.250 9.752 1.00 35.40 C ATOM 1589 C HIS A 101 3.300 -30.203 9.712 1.00 65.44 C ATOM 1590 O HIS A 101 3.941 -29.501 10.496 1.00 2.34 O ATOM 1591 CB HIS A 101 1.307 -31.711 9.914 1.00 51.21 C ATOM 1592 CG HIS A 101 -0.178 -31.903 9.897 1.00 64.43 C ATOM 1593 ND1 HIS A 101 -0.918 -32.171 11.026 1.00 61.45 N ATOM 1594 CD2 HIS A 101 -1.063 -31.885 8.871 1.00 60.32 C ATOM 1595 CE1 HIS A 101 -2.184 -32.310 10.699 1.00 63.44 C ATOM 1596 NE2 HIS A 101 -2.301 -32.142 9.399 1.00 54.02 N ATOM 0 H HIS A 101 0.870 -30.342 7.845 1.00 51.04 H new ATOM 0 HA HIS A 101 1.412 -29.662 10.601 1.00 35.40 H new ATOM 0 HB2 HIS A 101 1.747 -32.306 9.114 1.00 51.21 H new ATOM 0 HB3 HIS A 101 1.700 -32.099 10.854 1.00 51.21 H new ATOM 0 HD2 HIS A 101 -0.835 -31.702 7.831 1.00 60.32 H new ATOM 0 HE1 HIS A 101 -2.992 -32.526 11.382 1.00 63.44 H new ATOM 0 HE2 HIS A 101 -3.172 -32.195 8.870 1.00 54.02 H new ATOM 1605 N HIS A 102 3.874 -30.965 8.785 1.00 63.40 N ATOM 1606 CA HIS A 102 5.328 -31.053 8.614 1.00 65.41 C ATOM 1607 C HIS A 102 5.871 -29.796 7.907 1.00 32.52 C ATOM 1608 O HIS A 102 6.207 -29.828 6.728 1.00 54.15 O ATOM 1609 CB HIS A 102 5.654 -32.334 7.818 1.00 72.23 C ATOM 1610 CG HIS A 102 7.113 -32.619 7.598 1.00 4.10 C ATOM 1611 ND1 HIS A 102 8.115 -32.213 8.451 1.00 53.54 N ATOM 1612 CD2 HIS A 102 7.731 -33.309 6.608 1.00 32.33 C ATOM 1613 CE1 HIS A 102 9.278 -32.640 7.998 1.00 64.02 C ATOM 1614 NE2 HIS A 102 9.074 -33.305 6.884 1.00 62.32 N ATOM 0 H HIS A 102 3.347 -31.541 8.129 1.00 63.40 H new ATOM 0 HA HIS A 102 5.814 -31.105 9.588 1.00 65.41 H new ATOM 0 HB2 HIS A 102 5.213 -33.184 8.339 1.00 72.23 H new ATOM 0 HB3 HIS A 102 5.166 -32.268 6.845 1.00 72.23 H new ATOM 0 HD2 HIS A 102 7.254 -33.776 5.759 1.00 32.33 H new ATOM 0 HE1 HIS A 102 10.237 -32.471 8.465 1.00 64.02 H new ATOM 0 HE2 HIS A 102 9.797 -33.747 6.316 1.00 62.32 H new ATOM 1623 N HIS A 103 5.915 -28.678 8.636 1.00 44.20 N ATOM 1624 CA HIS A 103 6.372 -27.394 8.075 1.00 31.43 C ATOM 1625 C HIS A 103 7.908 -27.282 8.079 1.00 42.44 C ATOM 1626 O HIS A 103 8.481 -26.405 7.432 1.00 14.44 O ATOM 1627 CB HIS A 103 5.751 -26.234 8.871 1.00 74.53 C ATOM 1628 CG HIS A 103 6.002 -24.873 8.283 1.00 51.11 C ATOM 1629 ND1 HIS A 103 6.947 -23.999 8.775 1.00 33.25 N ATOM 1630 CD2 HIS A 103 5.405 -24.229 7.248 1.00 60.24 C ATOM 1631 CE1 HIS A 103 6.920 -22.881 8.077 1.00 11.33 C ATOM 1632 NE2 HIS A 103 5.994 -22.994 7.145 1.00 41.33 N ATOM 0 H HIS A 103 5.640 -28.631 9.617 1.00 44.20 H new ATOM 0 HA HIS A 103 6.045 -27.343 7.036 1.00 31.43 H new ATOM 0 HB2 HIS A 103 4.675 -26.393 8.942 1.00 74.53 H new ATOM 0 HB3 HIS A 103 6.144 -26.255 9.887 1.00 74.53 H new ATOM 0 HD2 HIS A 103 4.614 -24.616 6.623 1.00 60.24 H new ATOM 0 HE1 HIS A 103 7.549 -22.019 8.241 1.00 11.33 H new ATOM 0 HE2 HIS A 103 5.754 -22.279 6.458 1.00 41.33 H new ATOM 1641 N HIS A 104 8.565 -28.173 8.814 1.00 32.24 N ATOM 1642 CA HIS A 104 10.033 -28.194 8.890 1.00 44.31 C ATOM 1643 C HIS A 104 10.569 -29.634 8.773 1.00 24.31 C ATOM 1644 O HIS A 104 11.063 -30.006 7.684 1.00 37.59 O ATOM 1645 CB HIS A 104 10.505 -27.541 10.207 1.00 31.12 C ATOM 1646 CG HIS A 104 11.406 -26.361 10.001 1.00 52.51 C ATOM 1647 ND1 HIS A 104 12.740 -26.361 10.340 1.00 54.43 N ATOM 1648 CD2 HIS A 104 11.156 -25.137 9.483 1.00 4.12 C ATOM 1649 CE1 HIS A 104 13.269 -25.194 10.040 1.00 22.42 C ATOM 1650 NE2 HIS A 104 12.333 -24.431 9.518 1.00 3.43 N ATOM 1651 OXT HIS A 104 10.458 -30.391 9.762 1.00 37.59 O ATOM 0 H HIS A 104 8.108 -28.896 9.370 1.00 32.24 H new ATOM 0 HA HIS A 104 10.431 -27.620 8.053 1.00 44.31 H new ATOM 0 HB2 HIS A 104 9.633 -27.226 10.780 1.00 31.12 H new ATOM 0 HB3 HIS A 104 11.028 -28.287 10.806 1.00 31.12 H new ATOM 0 HD2 HIS A 104 10.207 -24.781 9.111 1.00 4.12 H new ATOM 0 HE1 HIS A 104 14.299 -24.910 10.196 1.00 22.42 H new ATOM 0 HE2 HIS A 104 12.461 -23.473 9.193 1.00 3.43 H new TER 1660 HIS A 104