USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 741 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 28 HIS HD1 : A 28 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0505 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -81:sc= 0.116 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0677 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 49:sc= -0.976 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.879 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -167:sc= -1.17 (180deg=-1.42) USER MOD Single : A 23 ASN : amide:sc= -1.37 K(o=-1.4,f=-4.7!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -74:sc= -0.92 USER MOD Single : A 38 MET CE :methyl 156:sc= -1.65 (180deg=-3.38!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.237 USER MOD Single : A 53 GLN : amide:sc= -0.567 K(o=-0.57,f=-1.7!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= -1.36 K(o=-1.4,f=-4.4!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 78 ASN : amide:sc= -0.0172 X(o=-0.017,f=-0.23) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.625 K(o=-0.63,f=-1.8!) USER MOD Single : A 81 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000551) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc= -0.0577 X(o=-0.058,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.359 12.735 26.342 1.00 0.00 N ATOM 2 CA GLY A 1 -3.704 12.761 25.797 1.00 0.00 C ATOM 3 C GLY A 1 -3.908 13.896 24.813 1.00 0.00 C ATOM 4 O GLY A 1 -3.172 14.882 24.831 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.871 11.875 26.021 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.836 13.573 26.016 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.405 12.739 27.381 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.910 11.813 25.301 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.421 12.857 26.612 1.00 0.00 H new ATOM 8 N SER A 2 -4.910 13.756 23.951 1.00 0.00 N ATOM 9 CA SER A 2 -5.206 14.776 22.951 1.00 0.00 C ATOM 10 C SER A 2 -4.000 15.018 22.049 1.00 0.00 C ATOM 11 O SER A 2 -3.424 16.105 22.043 1.00 0.00 O ATOM 12 CB SER A 2 -5.619 16.083 23.632 1.00 0.00 C ATOM 13 OG SER A 2 -6.466 16.849 22.793 1.00 0.00 O ATOM 0 H SER A 2 -5.530 12.947 23.925 1.00 0.00 H new ATOM 0 HA SER A 2 -6.032 14.418 22.336 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.132 15.863 24.568 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.731 16.662 23.884 1.00 0.00 H new ATOM 0 HG SER A 2 -6.717 17.678 23.251 1.00 0.00 H new ATOM 19 N SER A 3 -3.625 13.995 21.287 1.00 0.00 N ATOM 20 CA SER A 3 -2.485 14.094 20.382 1.00 0.00 C ATOM 21 C SER A 3 -2.886 13.714 18.960 1.00 0.00 C ATOM 22 O SER A 3 -3.596 12.733 18.744 1.00 0.00 O ATOM 23 CB SER A 3 -1.347 13.191 20.862 1.00 0.00 C ATOM 24 OG SER A 3 -0.363 13.033 19.854 1.00 0.00 O ATOM 0 H SER A 3 -4.093 13.089 21.278 1.00 0.00 H new ATOM 0 HA SER A 3 -2.142 15.129 20.380 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.892 13.618 21.756 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.745 12.216 21.142 1.00 0.00 H new ATOM 0 HG SER A 3 0.354 12.453 20.185 1.00 0.00 H new ATOM 30 N GLY A 4 -2.425 14.501 17.992 1.00 0.00 N ATOM 31 CA GLY A 4 -2.745 14.232 16.602 1.00 0.00 C ATOM 32 C GLY A 4 -1.641 13.478 15.888 1.00 0.00 C ATOM 33 O GLY A 4 -0.497 13.932 15.845 1.00 0.00 O ATOM 0 H GLY A 4 -1.836 15.319 18.146 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.668 13.654 16.550 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.930 15.174 16.086 1.00 0.00 H new ATOM 37 N SER A 5 -1.982 12.322 15.328 1.00 0.00 N ATOM 38 CA SER A 5 -1.009 11.500 14.617 1.00 0.00 C ATOM 39 C SER A 5 -0.333 12.298 13.507 1.00 0.00 C ATOM 40 O SER A 5 -0.942 13.178 12.900 1.00 0.00 O ATOM 41 CB SER A 5 -1.689 10.261 14.030 1.00 0.00 C ATOM 42 OG SER A 5 -3.094 10.322 14.199 1.00 0.00 O ATOM 0 H SER A 5 -2.925 11.933 15.353 1.00 0.00 H new ATOM 0 HA SER A 5 -0.247 11.184 15.329 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.450 10.180 12.970 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.300 9.365 14.514 1.00 0.00 H new ATOM 0 HG SER A 5 -3.327 10.038 15.108 1.00 0.00 H new ATOM 48 N SER A 6 0.932 11.982 13.246 1.00 0.00 N ATOM 49 CA SER A 6 1.694 12.671 12.212 1.00 0.00 C ATOM 50 C SER A 6 1.607 11.924 10.884 1.00 0.00 C ATOM 51 O SER A 6 2.299 10.929 10.672 1.00 0.00 O ATOM 52 CB SER A 6 3.158 12.812 12.635 1.00 0.00 C ATOM 53 OG SER A 6 3.544 11.753 13.493 1.00 0.00 O ATOM 0 H SER A 6 1.450 11.253 13.737 1.00 0.00 H new ATOM 0 HA SER A 6 1.264 13.664 12.080 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.796 12.820 11.751 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.303 13.766 13.141 1.00 0.00 H new ATOM 0 HG SER A 6 4.484 11.865 13.748 1.00 0.00 H new ATOM 59 N GLY A 7 0.749 12.412 9.993 1.00 0.00 N ATOM 60 CA GLY A 7 0.586 11.779 8.697 1.00 0.00 C ATOM 61 C GLY A 7 -0.151 10.457 8.786 1.00 0.00 C ATOM 62 O GLY A 7 -1.289 10.403 9.251 1.00 0.00 O ATOM 0 H GLY A 7 0.164 13.234 10.145 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.041 12.451 8.034 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.567 11.615 8.250 1.00 0.00 H new ATOM 66 N PHE A 8 0.499 9.388 8.337 1.00 0.00 N ATOM 67 CA PHE A 8 -0.103 8.060 8.366 1.00 0.00 C ATOM 68 C PHE A 8 0.924 7.006 8.769 1.00 0.00 C ATOM 69 O PHE A 8 1.905 6.775 8.061 1.00 0.00 O ATOM 70 CB PHE A 8 -0.695 7.716 6.998 1.00 0.00 C ATOM 71 CG PHE A 8 -2.004 8.399 6.721 1.00 0.00 C ATOM 72 CD1 PHE A 8 -3.193 7.861 7.185 1.00 0.00 C ATOM 73 CD2 PHE A 8 -2.045 9.579 5.996 1.00 0.00 C ATOM 74 CE1 PHE A 8 -4.399 8.487 6.933 1.00 0.00 C ATOM 75 CE2 PHE A 8 -3.247 10.209 5.740 1.00 0.00 C ATOM 76 CZ PHE A 8 -4.426 9.662 6.209 1.00 0.00 C ATOM 0 H PHE A 8 1.442 9.415 7.949 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.901 8.066 9.108 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.020 7.991 6.222 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -0.837 6.637 6.933 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.177 6.941 7.751 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.127 10.011 5.627 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -5.319 8.058 7.302 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -3.265 11.128 5.174 1.00 0.00 H new ATOM 0 HZ PHE A 8 -5.367 10.153 6.009 1.00 0.00 H new ATOM 86 N THR A 9 0.692 6.369 9.912 1.00 0.00 N ATOM 87 CA THR A 9 1.596 5.341 10.412 1.00 0.00 C ATOM 88 C THR A 9 0.883 4.001 10.551 1.00 0.00 C ATOM 89 O THR A 9 -0.271 3.943 10.977 1.00 0.00 O ATOM 90 CB THR A 9 2.196 5.734 11.775 1.00 0.00 C ATOM 91 OG1 THR A 9 1.428 6.791 12.361 1.00 0.00 O ATOM 92 CG2 THR A 9 3.643 6.177 11.621 1.00 0.00 C ATOM 0 H THR A 9 -0.115 6.547 10.510 1.00 0.00 H new ATOM 0 HA THR A 9 2.401 5.247 9.683 1.00 0.00 H new ATOM 0 HB THR A 9 2.167 4.860 12.426 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.814 7.034 13.228 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.046 6.450 12.596 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.231 5.361 11.201 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.691 7.039 10.955 1.00 0.00 H new ATOM 100 N CYS A 10 1.575 2.927 10.190 1.00 0.00 N ATOM 101 CA CYS A 10 1.007 1.586 10.275 1.00 0.00 C ATOM 102 C CYS A 10 1.192 1.005 11.673 1.00 0.00 C ATOM 103 O CYS A 10 2.287 1.011 12.234 1.00 0.00 O ATOM 104 CB CYS A 10 1.655 0.668 9.237 1.00 0.00 C ATOM 105 SG CYS A 10 0.670 -0.791 8.825 1.00 0.00 S ATOM 0 H CYS A 10 2.531 2.958 9.835 1.00 0.00 H new ATOM 0 HA CYS A 10 -0.061 1.657 10.069 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.838 1.239 8.327 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.626 0.344 9.610 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.552 -0.431 8.566 1.00 0.00 H new ATOM 111 N PRO A 11 0.095 0.492 12.250 1.00 0.00 N ATOM 112 CA PRO A 11 0.111 -0.102 13.590 1.00 0.00 C ATOM 113 C PRO A 11 0.870 -1.424 13.630 1.00 0.00 C ATOM 114 O PRO A 11 1.114 -1.978 14.702 1.00 0.00 O ATOM 115 CB PRO A 11 -1.372 -0.328 13.895 1.00 0.00 C ATOM 116 CG PRO A 11 -2.019 -0.450 12.559 1.00 0.00 C ATOM 117 CD PRO A 11 -1.244 0.451 11.639 1.00 0.00 C ATOM 0 HA PRO A 11 0.617 0.538 14.313 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.521 -1.229 14.491 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.790 0.503 14.463 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.995 -1.481 12.207 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.067 -0.153 12.604 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.210 0.056 10.624 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.689 1.444 11.580 1.00 0.00 H new ATOM 125 N ILE A 12 1.242 -1.923 12.456 1.00 0.00 N ATOM 126 CA ILE A 12 1.975 -3.179 12.358 1.00 0.00 C ATOM 127 C ILE A 12 3.467 -2.931 12.171 1.00 0.00 C ATOM 128 O ILE A 12 4.279 -3.281 13.029 1.00 0.00 O ATOM 129 CB ILE A 12 1.459 -4.042 11.191 1.00 0.00 C ATOM 130 CG1 ILE A 12 -0.031 -4.341 11.368 1.00 0.00 C ATOM 131 CG2 ILE A 12 2.256 -5.334 11.095 1.00 0.00 C ATOM 132 CD1 ILE A 12 -0.712 -4.795 10.096 1.00 0.00 C ATOM 0 H ILE A 12 1.048 -1.477 11.560 1.00 0.00 H new ATOM 0 HA ILE A 12 1.813 -3.713 13.294 1.00 0.00 H new ATOM 0 HB ILE A 12 1.591 -3.487 10.262 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.151 -5.112 12.129 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.531 -3.446 11.739 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.880 -5.933 10.266 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.307 -5.101 10.927 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.153 -5.895 12.024 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.766 -4.989 10.297 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.624 -4.016 9.338 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.238 -5.708 9.735 1.00 0.00 H new ATOM 144 N THR A 13 3.825 -2.323 11.044 1.00 0.00 N ATOM 145 CA THR A 13 5.220 -2.027 10.744 1.00 0.00 C ATOM 146 C THR A 13 5.735 -0.877 11.602 1.00 0.00 C ATOM 147 O THR A 13 6.941 -0.721 11.792 1.00 0.00 O ATOM 148 CB THR A 13 5.412 -1.669 9.258 1.00 0.00 C ATOM 149 OG1 THR A 13 4.636 -0.511 8.929 1.00 0.00 O ATOM 150 CG2 THR A 13 5.003 -2.831 8.365 1.00 0.00 C ATOM 0 H THR A 13 3.167 -2.026 10.324 1.00 0.00 H new ATOM 0 HA THR A 13 5.789 -2.929 10.969 1.00 0.00 H new ATOM 0 HB THR A 13 6.468 -1.457 9.091 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.765 -0.289 7.983 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.147 -2.555 7.320 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.615 -3.702 8.598 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.953 -3.069 8.536 1.00 0.00 H new ATOM 158 N LYS A 14 4.812 -0.073 12.121 1.00 0.00 N ATOM 159 CA LYS A 14 5.172 1.062 12.962 1.00 0.00 C ATOM 160 C LYS A 14 5.990 2.083 12.177 1.00 0.00 C ATOM 161 O LYS A 14 6.976 2.620 12.680 1.00 0.00 O ATOM 162 CB LYS A 14 5.964 0.589 14.183 1.00 0.00 C ATOM 163 CG LYS A 14 5.317 -0.575 14.914 1.00 0.00 C ATOM 164 CD LYS A 14 3.966 -0.189 15.491 1.00 0.00 C ATOM 165 CE LYS A 14 3.843 -0.606 16.949 1.00 0.00 C ATOM 166 NZ LYS A 14 2.648 -0.001 17.600 1.00 0.00 N ATOM 0 H LYS A 14 3.809 -0.187 11.974 1.00 0.00 H new ATOM 0 HA LYS A 14 4.251 1.540 13.297 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.965 0.297 13.865 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.080 1.423 14.876 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.195 -1.414 14.228 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.973 -0.912 15.716 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.828 0.889 15.407 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.173 -0.659 14.909 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.780 -1.692 17.012 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.741 -0.307 17.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.600 -0.309 18.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.720 1.036 17.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.789 -0.306 17.100 1.00 0.00 H new ATOM 180 N GLU A 15 5.571 2.348 10.943 1.00 0.00 N ATOM 181 CA GLU A 15 6.265 3.305 10.090 1.00 0.00 C ATOM 182 C GLU A 15 5.311 3.914 9.067 1.00 0.00 C ATOM 183 O GLU A 15 4.166 3.482 8.938 1.00 0.00 O ATOM 184 CB GLU A 15 7.436 2.629 9.374 1.00 0.00 C ATOM 185 CG GLU A 15 7.013 1.503 8.445 1.00 0.00 C ATOM 186 CD GLU A 15 7.597 1.645 7.053 1.00 0.00 C ATOM 187 OE1 GLU A 15 8.770 2.058 6.940 1.00 0.00 O ATOM 188 OE2 GLU A 15 6.880 1.342 6.076 1.00 0.00 O ATOM 0 H GLU A 15 4.755 1.913 10.512 1.00 0.00 H new ATOM 0 HA GLU A 15 6.649 4.105 10.723 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.981 3.378 8.799 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.127 2.234 10.119 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.325 0.549 8.870 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.925 1.481 8.378 1.00 0.00 H new ATOM 195 N GLU A 16 5.793 4.919 8.342 1.00 0.00 N ATOM 196 CA GLU A 16 4.982 5.587 7.331 1.00 0.00 C ATOM 197 C GLU A 16 4.427 4.581 6.326 1.00 0.00 C ATOM 198 O GLU A 16 5.091 3.605 5.978 1.00 0.00 O ATOM 199 CB GLU A 16 5.809 6.649 6.602 1.00 0.00 C ATOM 200 CG GLU A 16 4.981 7.805 6.068 1.00 0.00 C ATOM 201 CD GLU A 16 5.628 9.153 6.323 1.00 0.00 C ATOM 202 OE1 GLU A 16 6.741 9.383 5.805 1.00 0.00 O ATOM 203 OE2 GLU A 16 5.022 9.977 7.040 1.00 0.00 O ATOM 0 H GLU A 16 6.739 5.288 8.436 1.00 0.00 H new ATOM 0 HA GLU A 16 4.145 6.070 7.835 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.565 7.039 7.283 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.339 6.179 5.773 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.831 7.675 4.996 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.995 7.786 6.532 1.00 0.00 H new ATOM 210 N MET A 17 3.206 4.828 5.865 1.00 0.00 N ATOM 211 CA MET A 17 2.561 3.944 4.900 1.00 0.00 C ATOM 212 C MET A 17 2.640 4.527 3.492 1.00 0.00 C ATOM 213 O MET A 17 2.538 5.739 3.304 1.00 0.00 O ATOM 214 CB MET A 17 1.099 3.711 5.287 1.00 0.00 C ATOM 215 CG MET A 17 0.911 3.327 6.746 1.00 0.00 C ATOM 216 SD MET A 17 -0.542 2.292 7.009 1.00 0.00 S ATOM 217 CE MET A 17 -1.856 3.487 6.777 1.00 0.00 C ATOM 0 H MET A 17 2.643 5.632 6.143 1.00 0.00 H new ATOM 0 HA MET A 17 3.088 2.990 4.910 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.528 4.617 5.082 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.686 2.924 4.656 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.797 2.798 7.096 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.822 4.232 7.347 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.821 2.997 6.908 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.753 4.288 7.509 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.795 3.905 5.772 1.00 0.00 H new ATOM 227 N LYS A 18 2.822 3.656 2.506 1.00 0.00 N ATOM 228 CA LYS A 18 2.914 4.083 1.115 1.00 0.00 C ATOM 229 C LYS A 18 1.689 3.633 0.325 1.00 0.00 C ATOM 230 O LYS A 18 1.227 4.332 -0.576 1.00 0.00 O ATOM 231 CB LYS A 18 4.184 3.522 0.470 1.00 0.00 C ATOM 232 CG LYS A 18 5.462 3.949 1.171 1.00 0.00 C ATOM 233 CD LYS A 18 5.739 5.429 0.971 1.00 0.00 C ATOM 234 CE LYS A 18 7.201 5.681 0.634 1.00 0.00 C ATOM 235 NZ LYS A 18 7.995 6.042 1.841 1.00 0.00 N ATOM 0 H LYS A 18 2.909 2.649 2.644 1.00 0.00 H new ATOM 0 HA LYS A 18 2.956 5.172 1.098 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.129 2.433 0.465 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.225 3.844 -0.571 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.383 3.733 2.237 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.300 3.366 0.789 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.108 5.813 0.170 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.473 5.976 1.876 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.626 4.789 0.173 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.271 6.484 -0.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.985 6.206 1.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.605 6.907 2.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.949 5.266 2.531 1.00 0.00 H new ATOM 249 N LYS A 19 1.166 2.461 0.671 1.00 0.00 N ATOM 250 CA LYS A 19 -0.007 1.918 -0.003 1.00 0.00 C ATOM 251 C LYS A 19 -1.125 1.633 0.995 1.00 0.00 C ATOM 252 O LYS A 19 -1.307 0.506 1.455 1.00 0.00 O ATOM 253 CB LYS A 19 0.358 0.636 -0.754 1.00 0.00 C ATOM 254 CG LYS A 19 1.133 0.883 -2.037 1.00 0.00 C ATOM 255 CD LYS A 19 2.632 0.782 -1.812 1.00 0.00 C ATOM 256 CE LYS A 19 3.233 -0.390 -2.572 1.00 0.00 C ATOM 257 NZ LYS A 19 4.637 -0.660 -2.156 1.00 0.00 N ATOM 0 H LYS A 19 1.537 1.869 1.415 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.361 2.662 -0.717 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.950 -0.003 -0.099 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.556 0.091 -0.990 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.828 0.159 -2.792 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.888 1.871 -2.426 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.112 1.708 -2.130 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.834 0.668 -0.747 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.627 -1.280 -2.404 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.205 -0.182 -3.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.011 -1.466 -2.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.221 0.181 -2.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.661 -0.884 -1.141 1.00 0.00 H new ATOM 271 N PRO A 20 -1.893 2.678 1.339 1.00 0.00 N ATOM 272 CA PRO A 20 -3.007 2.564 2.285 1.00 0.00 C ATOM 273 C PRO A 20 -4.175 1.769 1.712 1.00 0.00 C ATOM 274 O PRO A 20 -4.640 2.040 0.604 1.00 0.00 O ATOM 275 CB PRO A 20 -3.417 4.019 2.526 1.00 0.00 C ATOM 276 CG PRO A 20 -2.982 4.744 1.300 1.00 0.00 C ATOM 277 CD PRO A 20 -1.732 4.051 0.831 1.00 0.00 C ATOM 0 HA PRO A 20 -2.719 2.032 3.192 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.493 4.107 2.677 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -2.936 4.423 3.417 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.756 4.714 0.533 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.788 5.795 1.516 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.645 4.070 -0.255 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.836 4.525 1.231 1.00 0.00 H new ATOM 285 N VAL A 21 -4.646 0.787 2.473 1.00 0.00 N ATOM 286 CA VAL A 21 -5.762 -0.047 2.041 1.00 0.00 C ATOM 287 C VAL A 21 -6.861 -0.085 3.097 1.00 0.00 C ATOM 288 O VAL A 21 -6.599 -0.341 4.272 1.00 0.00 O ATOM 289 CB VAL A 21 -5.304 -1.486 1.740 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.296 -1.499 0.601 1.00 0.00 C ATOM 291 CG2 VAL A 21 -4.718 -2.130 2.989 1.00 0.00 C ATOM 0 H VAL A 21 -4.273 0.549 3.392 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.155 0.399 1.128 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.172 -2.068 1.431 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.984 -2.524 0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.754 -1.079 -0.295 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.427 -0.902 0.878 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.399 -3.147 2.759 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.861 -1.549 3.330 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.474 -2.156 3.774 1.00 0.00 H new ATOM 301 N LYS A 22 -8.093 0.172 2.670 1.00 0.00 N ATOM 302 CA LYS A 22 -9.234 0.165 3.578 1.00 0.00 C ATOM 303 C LYS A 22 -9.962 -1.174 3.527 1.00 0.00 C ATOM 304 O LYS A 22 -9.980 -1.842 2.494 1.00 0.00 O ATOM 305 CB LYS A 22 -10.201 1.298 3.223 1.00 0.00 C ATOM 306 CG LYS A 22 -11.216 1.594 4.312 1.00 0.00 C ATOM 307 CD LYS A 22 -12.384 2.407 3.779 1.00 0.00 C ATOM 308 CE LYS A 22 -13.225 1.601 2.801 1.00 0.00 C ATOM 309 NZ LYS A 22 -13.327 2.269 1.475 1.00 0.00 N ATOM 0 H LYS A 22 -8.327 0.388 1.701 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.862 0.317 4.591 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.628 2.202 3.016 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.730 1.039 2.306 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.584 0.658 4.732 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.733 2.138 5.123 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.007 2.738 4.610 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.009 3.303 3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.787 0.611 2.676 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.224 1.458 3.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.075 1.814 0.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.558 3.274 1.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.419 2.187 0.974 1.00 0.00 H new ATOM 323 N ASN A 23 -10.563 -1.558 4.648 1.00 0.00 N ATOM 324 CA ASN A 23 -11.294 -2.818 4.730 1.00 0.00 C ATOM 325 C ASN A 23 -12.785 -2.598 4.493 1.00 0.00 C ATOM 326 O ASN A 23 -13.292 -1.486 4.645 1.00 0.00 O ATOM 327 CB ASN A 23 -11.075 -3.471 6.097 1.00 0.00 C ATOM 328 CG ASN A 23 -10.982 -4.982 6.007 1.00 0.00 C ATOM 329 OD1 ASN A 23 -10.456 -5.526 5.036 1.00 0.00 O ATOM 330 ND2 ASN A 23 -11.494 -5.667 7.023 1.00 0.00 N ATOM 0 H ASN A 23 -10.559 -1.016 5.512 1.00 0.00 H new ATOM 0 HA ASN A 23 -10.914 -3.481 3.953 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.160 -3.079 6.542 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.895 -3.199 6.762 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.461 -6.686 7.019 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.920 -5.174 7.807 1.00 0.00 H new ATOM 337 N LYS A 24 -13.483 -3.665 4.120 1.00 0.00 N ATOM 338 CA LYS A 24 -14.916 -3.592 3.863 1.00 0.00 C ATOM 339 C LYS A 24 -15.712 -4.030 5.089 1.00 0.00 C ATOM 340 O LYS A 24 -16.880 -3.673 5.243 1.00 0.00 O ATOM 341 CB LYS A 24 -15.286 -4.466 2.663 1.00 0.00 C ATOM 342 CG LYS A 24 -14.348 -4.302 1.479 1.00 0.00 C ATOM 343 CD LYS A 24 -15.116 -4.115 0.181 1.00 0.00 C ATOM 344 CE LYS A 24 -15.871 -5.378 -0.206 1.00 0.00 C ATOM 345 NZ LYS A 24 -17.342 -5.152 -0.254 1.00 0.00 N ATOM 0 H LYS A 24 -13.079 -4.592 3.989 1.00 0.00 H new ATOM 0 HA LYS A 24 -15.167 -2.555 3.640 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.288 -5.511 2.972 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -16.301 -4.225 2.348 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.698 -3.443 1.645 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.705 -5.178 1.399 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.818 -3.288 0.288 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.424 -3.844 -0.617 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.525 -5.724 -1.180 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.648 -6.168 0.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.820 -6.036 -0.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.677 -4.846 0.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.557 -4.416 -0.956 1.00 0.00 H new ATOM 359 N VAL A 25 -15.071 -4.804 5.959 1.00 0.00 N ATOM 360 CA VAL A 25 -15.719 -5.288 7.172 1.00 0.00 C ATOM 361 C VAL A 25 -15.738 -4.212 8.252 1.00 0.00 C ATOM 362 O VAL A 25 -16.799 -3.719 8.635 1.00 0.00 O ATOM 363 CB VAL A 25 -15.013 -6.541 7.724 1.00 0.00 C ATOM 364 CG1 VAL A 25 -15.812 -7.144 8.868 1.00 0.00 C ATOM 365 CG2 VAL A 25 -14.798 -7.561 6.616 1.00 0.00 C ATOM 0 H VAL A 25 -14.104 -5.109 5.846 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.743 -5.546 6.902 1.00 0.00 H new ATOM 0 HB VAL A 25 -14.037 -6.247 8.111 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -15.298 -8.028 9.245 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -15.909 -6.412 9.669 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -16.803 -7.425 8.511 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -14.298 -8.440 7.023 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.761 -7.852 6.198 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.180 -7.122 5.833 1.00 0.00 H new ATOM 375 N CYS A 26 -14.556 -3.850 8.740 1.00 0.00 N ATOM 376 CA CYS A 26 -14.434 -2.832 9.776 1.00 0.00 C ATOM 377 C CYS A 26 -14.395 -1.435 9.164 1.00 0.00 C ATOM 378 O CYS A 26 -15.140 -0.545 9.572 1.00 0.00 O ATOM 379 CB CYS A 26 -13.175 -3.071 10.611 1.00 0.00 C ATOM 380 SG CYS A 26 -12.817 -1.750 11.813 1.00 0.00 S ATOM 0 H CYS A 26 -13.668 -4.248 8.434 1.00 0.00 H new ATOM 0 HA CYS A 26 -15.308 -2.902 10.423 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.281 -4.015 11.146 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.322 -3.178 9.940 1.00 0.00 H new ATOM 385 N GLY A 27 -13.519 -1.250 8.181 1.00 0.00 N ATOM 386 CA GLY A 27 -13.397 0.040 7.528 1.00 0.00 C ATOM 387 C GLY A 27 -12.063 0.705 7.802 1.00 0.00 C ATOM 388 O GLY A 27 -11.715 1.701 7.165 1.00 0.00 O ATOM 0 H GLY A 27 -12.891 -1.971 7.825 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.522 -0.087 6.453 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.201 0.693 7.867 1.00 0.00 H new ATOM 392 N HIS A 28 -11.313 0.156 8.752 1.00 0.00 N ATOM 393 CA HIS A 28 -10.010 0.704 9.109 1.00 0.00 C ATOM 394 C HIS A 28 -9.088 0.750 7.894 1.00 0.00 C ATOM 395 O HIS A 28 -9.471 0.347 6.795 1.00 0.00 O ATOM 396 CB HIS A 28 -9.369 -0.132 10.218 1.00 0.00 C ATOM 397 CG HIS A 28 -9.561 0.443 11.588 1.00 0.00 C ATOM 398 ND1 HIS A 28 -9.727 -0.336 12.714 1.00 0.00 N ATOM 399 CD2 HIS A 28 -9.612 1.728 12.010 1.00 0.00 C ATOM 400 CE1 HIS A 28 -9.873 0.446 13.769 1.00 0.00 C ATOM 401 NE2 HIS A 28 -9.806 1.703 13.369 1.00 0.00 N ATOM 0 H HIS A 28 -11.585 -0.668 9.288 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.158 1.722 9.470 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.789 -1.138 10.193 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.302 -0.227 10.019 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.518 2.609 11.393 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.022 0.114 14.786 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.885 2.522 13.972 1.00 0.00 H new ATOM 409 N THR A 29 -7.871 1.245 8.099 1.00 0.00 N ATOM 410 CA THR A 29 -6.896 1.346 7.020 1.00 0.00 C ATOM 411 C THR A 29 -5.526 0.852 7.469 1.00 0.00 C ATOM 412 O THR A 29 -5.108 1.096 8.601 1.00 0.00 O ATOM 413 CB THR A 29 -6.767 2.795 6.514 1.00 0.00 C ATOM 414 OG1 THR A 29 -7.589 3.664 7.301 1.00 0.00 O ATOM 415 CG2 THR A 29 -7.169 2.896 5.051 1.00 0.00 C ATOM 0 H THR A 29 -7.537 1.582 9.002 1.00 0.00 H new ATOM 0 HA THR A 29 -7.257 0.716 6.207 1.00 0.00 H new ATOM 0 HB THR A 29 -5.724 3.097 6.609 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.500 4.583 6.974 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.069 3.929 4.717 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.522 2.256 4.451 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.204 2.575 4.935 1.00 0.00 H new ATOM 423 N TYR A 30 -4.831 0.157 6.576 1.00 0.00 N ATOM 424 CA TYR A 30 -3.508 -0.373 6.882 1.00 0.00 C ATOM 425 C TYR A 30 -2.601 -0.314 5.656 1.00 0.00 C ATOM 426 O TYR A 30 -3.026 0.093 4.576 1.00 0.00 O ATOM 427 CB TYR A 30 -3.615 -1.814 7.381 1.00 0.00 C ATOM 428 CG TYR A 30 -4.853 -2.077 8.209 1.00 0.00 C ATOM 429 CD1 TYR A 30 -4.920 -1.684 9.540 1.00 0.00 C ATOM 430 CD2 TYR A 30 -5.957 -2.718 7.659 1.00 0.00 C ATOM 431 CE1 TYR A 30 -6.049 -1.923 10.300 1.00 0.00 C ATOM 432 CE2 TYR A 30 -7.090 -2.960 8.411 1.00 0.00 C ATOM 433 CZ TYR A 30 -7.131 -2.561 9.731 1.00 0.00 C ATOM 434 OH TYR A 30 -8.258 -2.799 10.484 1.00 0.00 O ATOM 0 H TYR A 30 -5.162 -0.053 5.634 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.070 0.244 7.666 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.611 -2.488 6.524 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.733 -2.050 7.976 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.075 -1.183 9.988 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.928 -3.032 6.626 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.084 -1.612 11.334 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -7.939 -3.459 7.968 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.083 -3.531 11.112 1.00 0.00 H new ATOM 444 N GLU A 31 -1.349 -0.725 5.834 1.00 0.00 N ATOM 445 CA GLU A 31 -0.382 -0.720 4.743 1.00 0.00 C ATOM 446 C GLU A 31 -0.454 -2.018 3.944 1.00 0.00 C ATOM 447 O GLU A 31 -0.735 -3.082 4.495 1.00 0.00 O ATOM 448 CB GLU A 31 1.034 -0.522 5.288 1.00 0.00 C ATOM 449 CG GLU A 31 2.122 -0.748 4.252 1.00 0.00 C ATOM 450 CD GLU A 31 3.391 0.023 4.561 1.00 0.00 C ATOM 451 OE1 GLU A 31 3.752 0.119 5.753 1.00 0.00 O ATOM 452 OE2 GLU A 31 4.023 0.531 3.611 1.00 0.00 O ATOM 0 H GLU A 31 -0.981 -1.065 6.723 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.628 0.109 4.079 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.124 0.490 5.682 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.192 -1.205 6.123 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.352 -1.812 4.198 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.751 -0.452 3.271 1.00 0.00 H new ATOM 459 N GLU A 32 -0.200 -1.921 2.643 1.00 0.00 N ATOM 460 CA GLU A 32 -0.238 -3.088 1.769 1.00 0.00 C ATOM 461 C GLU A 32 0.676 -4.191 2.294 1.00 0.00 C ATOM 462 O GLU A 32 0.209 -5.243 2.732 1.00 0.00 O ATOM 463 CB GLU A 32 0.177 -2.701 0.348 1.00 0.00 C ATOM 464 CG GLU A 32 -0.279 -3.692 -0.710 1.00 0.00 C ATOM 465 CD GLU A 32 0.063 -3.242 -2.117 1.00 0.00 C ATOM 466 OE1 GLU A 32 1.228 -3.416 -2.530 1.00 0.00 O ATOM 467 OE2 GLU A 32 -0.837 -2.717 -2.806 1.00 0.00 O ATOM 0 H GLU A 32 0.034 -1.048 2.171 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.261 -3.465 1.752 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.232 -1.718 0.114 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.263 -2.612 0.307 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.184 -4.660 -0.519 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.357 -3.833 -0.630 1.00 0.00 H new ATOM 474 N ASP A 33 1.980 -3.944 2.247 1.00 0.00 N ATOM 475 CA ASP A 33 2.960 -4.915 2.718 1.00 0.00 C ATOM 476 C ASP A 33 2.611 -5.402 4.121 1.00 0.00 C ATOM 477 O ASP A 33 2.914 -6.537 4.488 1.00 0.00 O ATOM 478 CB ASP A 33 4.362 -4.302 2.712 1.00 0.00 C ATOM 479 CG ASP A 33 4.989 -4.305 1.332 1.00 0.00 C ATOM 480 OD1 ASP A 33 4.462 -5.006 0.442 1.00 0.00 O ATOM 481 OD2 ASP A 33 6.005 -3.606 1.141 1.00 0.00 O ATOM 0 H ASP A 33 2.383 -3.079 1.887 1.00 0.00 H new ATOM 0 HA ASP A 33 2.943 -5.769 2.041 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.309 -3.278 3.082 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.001 -4.857 3.399 1.00 0.00 H new ATOM 486 N ALA A 34 1.974 -4.536 4.902 1.00 0.00 N ATOM 487 CA ALA A 34 1.583 -4.878 6.264 1.00 0.00 C ATOM 488 C ALA A 34 0.475 -5.925 6.270 1.00 0.00 C ATOM 489 O ALA A 34 0.657 -7.032 6.779 1.00 0.00 O ATOM 490 CB ALA A 34 1.138 -3.631 7.014 1.00 0.00 C ATOM 0 H ALA A 34 1.718 -3.592 4.615 1.00 0.00 H new ATOM 0 HA ALA A 34 2.451 -5.302 6.769 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.849 -3.901 8.030 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.959 -2.915 7.049 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.287 -3.183 6.502 1.00 0.00 H new ATOM 496 N ILE A 35 -0.672 -5.570 5.702 1.00 0.00 N ATOM 497 CA ILE A 35 -1.809 -6.480 5.642 1.00 0.00 C ATOM 498 C ILE A 35 -1.482 -7.714 4.809 1.00 0.00 C ATOM 499 O ILE A 35 -2.133 -8.751 4.934 1.00 0.00 O ATOM 500 CB ILE A 35 -3.052 -5.790 5.051 1.00 0.00 C ATOM 501 CG1 ILE A 35 -4.292 -6.663 5.254 1.00 0.00 C ATOM 502 CG2 ILE A 35 -2.842 -5.495 3.573 1.00 0.00 C ATOM 503 CD1 ILE A 35 -4.634 -6.899 6.709 1.00 0.00 C ATOM 0 H ILE A 35 -0.839 -4.658 5.276 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.025 -6.783 6.667 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.207 -4.845 5.572 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.143 -6.192 4.761 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.133 -7.625 4.766 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.729 -5.007 3.170 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.980 -4.838 3.452 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.666 -6.428 3.037 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.523 -7.525 6.777 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.800 -7.398 7.202 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.825 -5.943 7.197 1.00 0.00 H new ATOM 515 N VAL A 36 -0.467 -7.595 3.959 1.00 0.00 N ATOM 516 CA VAL A 36 -0.050 -8.702 3.106 1.00 0.00 C ATOM 517 C VAL A 36 0.912 -9.629 3.840 1.00 0.00 C ATOM 518 O VAL A 36 0.847 -10.850 3.693 1.00 0.00 O ATOM 519 CB VAL A 36 0.625 -8.195 1.818 1.00 0.00 C ATOM 520 CG1 VAL A 36 1.234 -9.353 1.043 1.00 0.00 C ATOM 521 CG2 VAL A 36 -0.373 -7.434 0.958 1.00 0.00 C ATOM 0 H VAL A 36 0.082 -6.743 3.843 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.952 -9.254 2.841 1.00 0.00 H new ATOM 0 HB VAL A 36 1.428 -7.512 2.094 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.706 -8.975 0.136 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.981 -9.851 1.661 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.452 -10.063 0.776 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.121 -7.083 0.052 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.199 -8.093 0.689 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.757 -6.580 1.516 1.00 0.00 H new ATOM 531 N ARG A 37 1.804 -9.042 4.630 1.00 0.00 N ATOM 532 CA ARG A 37 2.781 -9.815 5.387 1.00 0.00 C ATOM 533 C ARG A 37 2.159 -10.381 6.660 1.00 0.00 C ATOM 534 O ARG A 37 2.614 -11.395 7.188 1.00 0.00 O ATOM 535 CB ARG A 37 3.989 -8.945 5.740 1.00 0.00 C ATOM 536 CG ARG A 37 3.737 -7.995 6.899 1.00 0.00 C ATOM 537 CD ARG A 37 4.968 -7.160 7.213 1.00 0.00 C ATOM 538 NE ARG A 37 5.019 -5.937 6.416 1.00 0.00 N ATOM 539 CZ ARG A 37 6.117 -5.206 6.261 1.00 0.00 C ATOM 540 NH1 ARG A 37 7.250 -5.573 6.845 1.00 0.00 N ATOM 541 NH2 ARG A 37 6.084 -4.106 5.521 1.00 0.00 N ATOM 0 H ARG A 37 1.871 -8.033 4.763 1.00 0.00 H new ATOM 0 HA ARG A 37 3.110 -10.646 4.764 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.831 -9.591 5.987 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.278 -8.366 4.863 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.902 -7.337 6.657 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.448 -8.565 7.782 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.971 -6.903 8.272 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.864 -7.752 7.027 1.00 0.00 H new ATOM 0 HE ARG A 37 4.164 -5.627 5.953 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.279 -6.418 7.415 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.092 -5.010 6.724 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.215 -3.821 5.070 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.928 -3.545 5.403 1.00 0.00 H new ATOM 555 N MET A 38 1.115 -9.718 7.147 1.00 0.00 N ATOM 556 CA MET A 38 0.430 -10.155 8.358 1.00 0.00 C ATOM 557 C MET A 38 -0.418 -11.394 8.085 1.00 0.00 C ATOM 558 O MET A 38 -0.216 -12.442 8.700 1.00 0.00 O ATOM 559 CB MET A 38 -0.451 -9.031 8.905 1.00 0.00 C ATOM 560 CG MET A 38 -1.361 -9.470 10.041 1.00 0.00 C ATOM 561 SD MET A 38 -1.499 -8.228 11.340 1.00 0.00 S ATOM 562 CE MET A 38 -3.080 -7.489 10.936 1.00 0.00 C ATOM 0 H MET A 38 0.725 -8.877 6.722 1.00 0.00 H new ATOM 0 HA MET A 38 1.185 -10.409 9.102 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.186 -8.218 9.254 1.00 0.00 H new ATOM 0 HB3 MET A 38 -1.061 -8.632 8.095 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.353 -9.686 9.644 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.980 -10.397 10.469 1.00 0.00 H new ATOM 0 HE1 MET A 38 -3.507 -7.033 11.829 1.00 0.00 H new ATOM 0 HE2 MET A 38 -2.940 -6.726 10.170 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.756 -8.258 10.562 1.00 0.00 H new ATOM 572 N ILE A 39 -1.364 -11.266 7.162 1.00 0.00 N ATOM 573 CA ILE A 39 -2.241 -12.376 6.809 1.00 0.00 C ATOM 574 C ILE A 39 -1.436 -13.628 6.475 1.00 0.00 C ATOM 575 O ILE A 39 -1.873 -14.747 6.740 1.00 0.00 O ATOM 576 CB ILE A 39 -3.140 -12.024 5.609 1.00 0.00 C ATOM 577 CG1 ILE A 39 -3.993 -10.793 5.927 1.00 0.00 C ATOM 578 CG2 ILE A 39 -4.024 -13.207 5.244 1.00 0.00 C ATOM 579 CD1 ILE A 39 -4.647 -10.180 4.709 1.00 0.00 C ATOM 0 H ILE A 39 -1.543 -10.405 6.645 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.869 -12.571 7.679 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.505 -11.793 4.754 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.766 -11.072 6.643 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.367 -10.042 6.410 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.653 -12.942 4.394 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.399 -14.061 4.981 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.654 -13.467 6.095 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.235 -9.313 5.009 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.879 -9.870 4.001 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.299 -10.915 4.238 1.00 0.00 H new ATOM 591 N GLU A 40 -0.257 -13.429 5.895 1.00 0.00 N ATOM 592 CA GLU A 40 0.610 -14.543 5.526 1.00 0.00 C ATOM 593 C GLU A 40 1.369 -15.067 6.742 1.00 0.00 C ATOM 594 O GLU A 40 1.611 -16.267 6.866 1.00 0.00 O ATOM 595 CB GLU A 40 1.598 -14.111 4.441 1.00 0.00 C ATOM 596 CG GLU A 40 0.972 -13.982 3.063 1.00 0.00 C ATOM 597 CD GLU A 40 1.652 -14.857 2.028 1.00 0.00 C ATOM 598 OE1 GLU A 40 1.868 -16.054 2.314 1.00 0.00 O ATOM 599 OE2 GLU A 40 1.969 -14.346 0.934 1.00 0.00 O ATOM 0 H GLU A 40 0.120 -12.508 5.670 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.017 -15.345 5.137 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.037 -13.154 4.722 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.412 -14.834 4.394 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.083 -14.248 3.121 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.021 -12.941 2.742 1.00 0.00 H new ATOM 606 N SER A 41 1.742 -14.157 7.637 1.00 0.00 N ATOM 607 CA SER A 41 2.477 -14.526 8.841 1.00 0.00 C ATOM 608 C SER A 41 1.561 -15.216 9.847 1.00 0.00 C ATOM 609 O SER A 41 2.018 -15.984 10.694 1.00 0.00 O ATOM 610 CB SER A 41 3.110 -13.286 9.477 1.00 0.00 C ATOM 611 OG SER A 41 3.574 -13.566 10.786 1.00 0.00 O ATOM 0 H SER A 41 1.547 -13.159 7.551 1.00 0.00 H new ATOM 0 HA SER A 41 3.265 -15.223 8.557 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.939 -12.940 8.860 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.379 -12.478 9.512 1.00 0.00 H new ATOM 0 HG SER A 41 3.975 -12.759 11.170 1.00 0.00 H new ATOM 617 N ARG A 42 0.265 -14.938 9.746 1.00 0.00 N ATOM 618 CA ARG A 42 -0.716 -15.530 10.647 1.00 0.00 C ATOM 619 C ARG A 42 -1.146 -16.908 10.151 1.00 0.00 C ATOM 620 O ARG A 42 -1.067 -17.893 10.884 1.00 0.00 O ATOM 621 CB ARG A 42 -1.937 -14.618 10.776 1.00 0.00 C ATOM 622 CG ARG A 42 -1.602 -13.217 11.261 1.00 0.00 C ATOM 623 CD ARG A 42 -1.616 -13.135 12.779 1.00 0.00 C ATOM 624 NE ARG A 42 -0.354 -12.627 13.312 1.00 0.00 N ATOM 625 CZ ARG A 42 -0.128 -12.431 14.606 1.00 0.00 C ATOM 626 NH1 ARG A 42 -1.073 -12.700 15.495 1.00 0.00 N ATOM 627 NH2 ARG A 42 1.046 -11.966 15.012 1.00 0.00 N ATOM 0 H ARG A 42 -0.130 -14.306 9.049 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.252 -15.644 11.627 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.433 -14.549 9.808 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.648 -15.072 11.466 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.619 -12.927 10.889 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.320 -12.507 10.851 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.432 -12.487 13.099 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.813 -14.124 13.194 1.00 0.00 H new ATOM 0 HE ARG A 42 0.395 -12.411 12.654 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.977 -13.059 15.186 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.897 -12.549 16.488 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.776 -11.759 14.330 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.219 -11.816 16.006 1.00 0.00 H new ATOM 641 N GLN A 43 -1.602 -16.966 8.904 1.00 0.00 N ATOM 642 CA GLN A 43 -2.046 -18.223 8.312 1.00 0.00 C ATOM 643 C GLN A 43 -0.980 -19.303 8.463 1.00 0.00 C ATOM 644 O GLN A 43 -1.275 -20.429 8.863 1.00 0.00 O ATOM 645 CB GLN A 43 -2.381 -18.023 6.833 1.00 0.00 C ATOM 646 CG GLN A 43 -3.874 -18.006 6.544 1.00 0.00 C ATOM 647 CD GLN A 43 -4.294 -19.098 5.580 1.00 0.00 C ATOM 648 OE1 GLN A 43 -3.952 -20.267 5.761 1.00 0.00 O ATOM 649 NE2 GLN A 43 -5.042 -18.722 4.549 1.00 0.00 N ATOM 0 H GLN A 43 -1.674 -16.159 8.285 1.00 0.00 H new ATOM 0 HA GLN A 43 -2.942 -18.548 8.840 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.943 -17.084 6.494 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.916 -18.820 6.253 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -4.423 -18.121 7.479 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.149 -17.036 6.130 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -5.302 -17.742 4.438 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -5.357 -19.413 3.868 1.00 0.00 H new ATOM 658 N LYS A 44 0.260 -18.952 8.140 1.00 0.00 N ATOM 659 CA LYS A 44 1.372 -19.890 8.241 1.00 0.00 C ATOM 660 C LYS A 44 1.477 -20.460 9.652 1.00 0.00 C ATOM 661 O LYS A 44 1.993 -21.560 9.850 1.00 0.00 O ATOM 662 CB LYS A 44 2.684 -19.201 7.858 1.00 0.00 C ATOM 663 CG LYS A 44 3.097 -18.103 8.823 1.00 0.00 C ATOM 664 CD LYS A 44 4.377 -18.462 9.560 1.00 0.00 C ATOM 665 CE LYS A 44 5.609 -18.106 8.743 1.00 0.00 C ATOM 666 NZ LYS A 44 6.836 -18.050 9.586 1.00 0.00 N ATOM 0 H LYS A 44 0.520 -18.024 7.806 1.00 0.00 H new ATOM 0 HA LYS A 44 1.185 -20.712 7.550 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.476 -19.948 7.809 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.584 -18.777 6.859 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.240 -17.171 8.276 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.297 -17.930 9.543 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.408 -17.937 10.515 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.383 -19.529 9.783 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.745 -18.843 7.952 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.457 -17.142 8.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.654 -17.804 8.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.716 -17.329 10.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.996 -18.977 10.029 1.00 0.00 H new ATOM 680 N ARG A 45 0.983 -19.706 10.628 1.00 0.00 N ATOM 681 CA ARG A 45 1.021 -20.137 12.020 1.00 0.00 C ATOM 682 C ARG A 45 -0.369 -20.541 12.503 1.00 0.00 C ATOM 683 O ARG A 45 -0.660 -20.496 13.698 1.00 0.00 O ATOM 684 CB ARG A 45 1.576 -19.020 12.907 1.00 0.00 C ATOM 685 CG ARG A 45 3.063 -18.769 12.711 1.00 0.00 C ATOM 686 CD ARG A 45 3.775 -18.578 14.041 1.00 0.00 C ATOM 687 NE ARG A 45 5.156 -18.138 13.864 1.00 0.00 N ATOM 688 CZ ARG A 45 5.492 -16.918 13.461 1.00 0.00 C ATOM 689 NH1 ARG A 45 4.552 -16.021 13.195 1.00 0.00 N ATOM 690 NH2 ARG A 45 6.771 -16.592 13.324 1.00 0.00 N ATOM 0 H ARG A 45 0.552 -18.794 10.481 1.00 0.00 H new ATOM 0 HA ARG A 45 1.677 -21.005 12.087 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.030 -18.099 12.701 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.393 -19.272 13.952 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.508 -19.608 12.176 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.205 -17.884 12.090 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.235 -17.844 14.639 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.762 -19.515 14.597 1.00 0.00 H new ATOM 0 HE ARG A 45 5.903 -18.804 14.061 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.568 -16.267 13.300 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.813 -15.085 12.886 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.497 -17.279 13.528 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.028 -15.655 13.014 1.00 0.00 H new ATOM 704 N LYS A 46 -1.223 -20.935 11.565 1.00 0.00 N ATOM 705 CA LYS A 46 -2.583 -21.348 11.893 1.00 0.00 C ATOM 706 C LYS A 46 -3.282 -20.292 12.743 1.00 0.00 C ATOM 707 O LYS A 46 -4.018 -20.617 13.675 1.00 0.00 O ATOM 708 CB LYS A 46 -2.566 -22.686 12.636 1.00 0.00 C ATOM 709 CG LYS A 46 -1.946 -23.819 11.836 1.00 0.00 C ATOM 710 CD LYS A 46 -2.732 -25.110 11.996 1.00 0.00 C ATOM 711 CE LYS A 46 -3.684 -25.331 10.831 1.00 0.00 C ATOM 712 NZ LYS A 46 -3.929 -26.778 10.581 1.00 0.00 N ATOM 0 H LYS A 46 -0.998 -20.977 10.571 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.136 -21.463 10.961 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.015 -22.567 13.569 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.588 -22.957 12.902 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.908 -23.543 10.782 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.918 -23.975 12.162 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.042 -25.951 12.068 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.297 -25.080 12.928 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.631 -24.833 11.037 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.271 -24.872 9.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.583 -26.886 9.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.029 -27.249 10.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.347 -27.211 11.429 1.00 0.00 H new ATOM 726 N LYS A 47 -3.049 -19.026 12.415 1.00 0.00 N ATOM 727 CA LYS A 47 -3.658 -17.921 13.145 1.00 0.00 C ATOM 728 C LYS A 47 -4.681 -17.194 12.278 1.00 0.00 C ATOM 729 O LYS A 47 -4.964 -17.608 11.153 1.00 0.00 O ATOM 730 CB LYS A 47 -2.583 -16.939 13.616 1.00 0.00 C ATOM 731 CG LYS A 47 -2.439 -16.872 15.126 1.00 0.00 C ATOM 732 CD LYS A 47 -1.478 -15.773 15.547 1.00 0.00 C ATOM 733 CE LYS A 47 -0.481 -16.270 16.582 1.00 0.00 C ATOM 734 NZ LYS A 47 -0.254 -15.269 17.660 1.00 0.00 N ATOM 0 H LYS A 47 -2.442 -18.740 11.647 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.171 -18.332 14.014 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.626 -17.225 13.181 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.820 -15.945 13.238 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.415 -16.696 15.578 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.083 -17.831 15.501 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.942 -15.402 14.673 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.040 -14.934 15.956 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.846 -17.199 17.020 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.466 -16.498 16.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.432 -15.646 18.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.118 -14.391 17.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.153 -15.070 18.144 1.00 0.00 H new ATOM 748 N LYS A 48 -5.234 -16.108 12.807 1.00 0.00 N ATOM 749 CA LYS A 48 -6.223 -15.321 12.082 1.00 0.00 C ATOM 750 C LYS A 48 -5.831 -13.847 12.051 1.00 0.00 C ATOM 751 O LYS A 48 -5.093 -13.373 12.915 1.00 0.00 O ATOM 752 CB LYS A 48 -7.603 -15.479 12.726 1.00 0.00 C ATOM 753 CG LYS A 48 -7.757 -14.713 14.028 1.00 0.00 C ATOM 754 CD LYS A 48 -8.507 -15.528 15.069 1.00 0.00 C ATOM 755 CE LYS A 48 -7.624 -16.611 15.671 1.00 0.00 C ATOM 756 NZ LYS A 48 -8.409 -17.820 16.046 1.00 0.00 N ATOM 0 H LYS A 48 -5.013 -15.753 13.737 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.262 -15.690 11.057 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.364 -15.141 12.023 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.789 -16.537 12.912 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.773 -14.447 14.413 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.290 -13.780 13.842 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.866 -14.869 15.859 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.385 -15.985 14.612 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.850 -16.888 14.956 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.118 -16.219 16.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.772 -18.535 16.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.132 -17.561 16.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.872 -18.210 15.200 1.00 0.00 H new ATOM 770 N ALA A 49 -6.329 -13.128 11.051 1.00 0.00 N ATOM 771 CA ALA A 49 -6.033 -11.707 10.910 1.00 0.00 C ATOM 772 C ALA A 49 -7.066 -10.856 11.640 1.00 0.00 C ATOM 773 O ALA A 49 -8.242 -10.840 11.274 1.00 0.00 O ATOM 774 CB ALA A 49 -5.974 -11.323 9.439 1.00 0.00 C ATOM 0 H ALA A 49 -6.939 -13.506 10.326 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.060 -11.518 11.363 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.752 -10.260 9.349 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.193 -11.900 8.943 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.934 -11.534 8.969 1.00 0.00 H new ATOM 780 N TYR A 50 -6.621 -10.151 12.674 1.00 0.00 N ATOM 781 CA TYR A 50 -7.508 -9.299 13.458 1.00 0.00 C ATOM 782 C TYR A 50 -7.119 -7.831 13.317 1.00 0.00 C ATOM 783 O TYR A 50 -5.976 -7.508 12.990 1.00 0.00 O ATOM 784 CB TYR A 50 -7.473 -9.709 14.931 1.00 0.00 C ATOM 785 CG TYR A 50 -6.076 -9.943 15.461 1.00 0.00 C ATOM 786 CD1 TYR A 50 -5.480 -11.195 15.376 1.00 0.00 C ATOM 787 CD2 TYR A 50 -5.352 -8.911 16.046 1.00 0.00 C ATOM 788 CE1 TYR A 50 -4.204 -11.413 15.859 1.00 0.00 C ATOM 789 CE2 TYR A 50 -4.076 -9.120 16.531 1.00 0.00 C ATOM 790 CZ TYR A 50 -3.506 -10.372 16.436 1.00 0.00 C ATOM 791 OH TYR A 50 -2.235 -10.585 16.918 1.00 0.00 O ATOM 0 H TYR A 50 -5.651 -10.153 12.989 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.521 -9.425 13.077 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -7.954 -8.933 15.527 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.059 -10.619 15.060 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.023 -12.012 14.925 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.795 -7.929 16.123 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.755 -12.393 15.785 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.527 -8.307 16.983 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.883 -9.750 17.291 1.00 0.00 H new ATOM 801 N CYS A 51 -8.077 -6.945 13.567 1.00 0.00 N ATOM 802 CA CYS A 51 -7.837 -5.511 13.469 1.00 0.00 C ATOM 803 C CYS A 51 -6.597 -5.111 14.264 1.00 0.00 C ATOM 804 O CYS A 51 -6.617 -5.024 15.492 1.00 0.00 O ATOM 805 CB CYS A 51 -9.053 -4.733 13.977 1.00 0.00 C ATOM 806 SG CYS A 51 -10.086 -4.022 12.655 1.00 0.00 S ATOM 0 H CYS A 51 -9.028 -7.196 13.839 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.670 -5.267 12.420 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -9.667 -5.396 14.586 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -8.710 -3.929 14.628 1.00 0.00 H new ATOM 811 N PRO A 52 -5.491 -4.861 13.547 1.00 0.00 N ATOM 812 CA PRO A 52 -4.221 -4.466 14.164 1.00 0.00 C ATOM 813 C PRO A 52 -4.275 -3.061 14.753 1.00 0.00 C ATOM 814 O PRO A 52 -3.351 -2.632 15.444 1.00 0.00 O ATOM 815 CB PRO A 52 -3.229 -4.520 12.999 1.00 0.00 C ATOM 816 CG PRO A 52 -4.063 -4.314 11.782 1.00 0.00 C ATOM 817 CD PRO A 52 -5.395 -4.945 12.080 1.00 0.00 C ATOM 0 HA PRO A 52 -3.955 -5.114 14.999 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.467 -3.747 13.092 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.709 -5.478 12.965 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.175 -3.253 11.561 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.600 -4.774 10.909 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.211 -4.411 11.593 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.437 -5.977 11.733 1.00 0.00 H new ATOM 825 N GLN A 53 -5.363 -2.349 14.475 1.00 0.00 N ATOM 826 CA GLN A 53 -5.536 -0.991 14.977 1.00 0.00 C ATOM 827 C GLN A 53 -5.792 -0.996 16.481 1.00 0.00 C ATOM 828 O GLN A 53 -6.876 -1.364 16.934 1.00 0.00 O ATOM 829 CB GLN A 53 -6.692 -0.300 14.253 1.00 0.00 C ATOM 830 CG GLN A 53 -6.410 1.152 13.904 1.00 0.00 C ATOM 831 CD GLN A 53 -5.324 1.300 12.857 1.00 0.00 C ATOM 832 OE1 GLN A 53 -5.324 0.603 11.842 1.00 0.00 O ATOM 833 NE2 GLN A 53 -4.389 2.212 13.099 1.00 0.00 N ATOM 0 H GLN A 53 -6.137 -2.690 13.905 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.616 -0.439 14.785 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.916 -0.848 13.338 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.583 -0.348 14.879 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.326 1.619 13.541 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.115 1.688 14.806 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.428 2.768 13.953 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.632 2.356 12.430 1.00 0.00 H new ATOM 842 N ILE A 54 -4.788 -0.586 17.248 1.00 0.00 N ATOM 843 CA ILE A 54 -4.906 -0.542 18.701 1.00 0.00 C ATOM 844 C ILE A 54 -6.161 0.210 19.128 1.00 0.00 C ATOM 845 O ILE A 54 -6.326 1.390 18.821 1.00 0.00 O ATOM 846 CB ILE A 54 -3.677 0.125 19.345 1.00 0.00 C ATOM 847 CG1 ILE A 54 -2.400 -0.623 18.956 1.00 0.00 C ATOM 848 CG2 ILE A 54 -3.831 0.170 20.858 1.00 0.00 C ATOM 849 CD1 ILE A 54 -2.417 -2.086 19.339 1.00 0.00 C ATOM 0 H ILE A 54 -3.884 -0.280 16.888 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.970 -1.575 19.044 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.602 1.148 18.976 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.253 -0.539 17.879 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.547 -0.141 19.433 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.954 0.644 21.299 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.722 0.743 21.116 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.927 -0.845 21.244 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.481 -2.553 19.033 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.532 -2.178 20.419 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.250 -2.583 18.841 1.00 0.00 H new ATOM 861 N GLY A 55 -7.045 -0.482 19.841 1.00 0.00 N ATOM 862 CA GLY A 55 -8.275 0.137 20.301 1.00 0.00 C ATOM 863 C GLY A 55 -9.509 -0.534 19.733 1.00 0.00 C ATOM 864 O GLY A 55 -10.583 -0.487 20.334 1.00 0.00 O ATOM 0 H GLY A 55 -6.931 -1.460 20.108 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.313 0.098 21.390 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.276 1.190 20.019 1.00 0.00 H new ATOM 868 N CYS A 56 -9.359 -1.159 18.570 1.00 0.00 N ATOM 869 CA CYS A 56 -10.471 -1.841 17.918 1.00 0.00 C ATOM 870 C CYS A 56 -10.778 -3.165 18.611 1.00 0.00 C ATOM 871 O CYS A 56 -9.911 -3.757 19.255 1.00 0.00 O ATOM 872 CB CYS A 56 -10.151 -2.086 16.443 1.00 0.00 C ATOM 873 SG CYS A 56 -11.615 -2.109 15.358 1.00 0.00 S ATOM 0 H CYS A 56 -8.477 -1.207 18.059 1.00 0.00 H new ATOM 0 HA CYS A 56 -11.351 -1.201 17.990 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -9.468 -1.311 16.097 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -9.627 -3.037 16.349 1.00 0.00 H new ATOM 878 N SER A 57 -12.017 -3.625 18.473 1.00 0.00 N ATOM 879 CA SER A 57 -12.441 -4.878 19.088 1.00 0.00 C ATOM 880 C SER A 57 -12.582 -5.977 18.039 1.00 0.00 C ATOM 881 O SER A 57 -12.472 -7.164 18.349 1.00 0.00 O ATOM 882 CB SER A 57 -13.768 -4.686 19.824 1.00 0.00 C ATOM 883 OG SER A 57 -13.861 -5.553 20.941 1.00 0.00 O ATOM 0 H SER A 57 -12.745 -3.149 17.941 1.00 0.00 H new ATOM 0 HA SER A 57 -11.677 -5.180 19.805 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.858 -3.651 20.154 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.597 -4.876 19.142 1.00 0.00 H new ATOM 0 HG SER A 57 -14.717 -5.410 21.396 1.00 0.00 H new ATOM 889 N HIS A 58 -12.827 -5.573 16.797 1.00 0.00 N ATOM 890 CA HIS A 58 -12.983 -6.523 15.701 1.00 0.00 C ATOM 891 C HIS A 58 -11.757 -7.424 15.584 1.00 0.00 C ATOM 892 O HIS A 58 -10.650 -7.036 15.960 1.00 0.00 O ATOM 893 CB HIS A 58 -13.213 -5.781 14.384 1.00 0.00 C ATOM 894 CG HIS A 58 -13.820 -6.635 13.314 1.00 0.00 C ATOM 895 ND1 HIS A 58 -15.046 -7.253 13.449 1.00 0.00 N ATOM 896 CD2 HIS A 58 -13.364 -6.972 12.084 1.00 0.00 C ATOM 897 CE1 HIS A 58 -15.317 -7.933 12.349 1.00 0.00 C ATOM 898 NE2 HIS A 58 -14.312 -7.779 11.505 1.00 0.00 N ATOM 0 H HIS A 58 -12.922 -4.595 16.524 1.00 0.00 H new ATOM 0 HA HIS A 58 -13.851 -7.147 15.914 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -13.863 -4.926 14.567 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -12.261 -5.387 14.027 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -15.649 -7.194 14.270 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -12.429 -6.663 11.641 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -16.209 -8.516 12.170 1.00 0.00 H new ATOM 906 N THR A 59 -11.961 -8.629 15.060 1.00 0.00 N ATOM 907 CA THR A 59 -10.873 -9.585 14.896 1.00 0.00 C ATOM 908 C THR A 59 -11.136 -10.519 13.720 1.00 0.00 C ATOM 909 O THR A 59 -10.793 -11.700 13.765 1.00 0.00 O ATOM 910 CB THR A 59 -10.667 -10.426 16.169 1.00 0.00 C ATOM 911 OG1 THR A 59 -11.890 -11.081 16.527 1.00 0.00 O ATOM 912 CG2 THR A 59 -10.197 -9.555 17.324 1.00 0.00 C ATOM 0 H THR A 59 -12.870 -8.966 14.742 1.00 0.00 H new ATOM 0 HA THR A 59 -9.970 -9.006 14.703 1.00 0.00 H new ATOM 0 HB THR A 59 -9.901 -11.173 15.963 1.00 0.00 H new ATOM 0 HG1 THR A 59 -11.750 -11.615 17.337 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.059 -10.172 18.212 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.252 -9.081 17.061 1.00 0.00 H new ATOM 0 HG23 THR A 59 -10.944 -8.788 17.528 1.00 0.00 H new ATOM 920 N ASP A 60 -11.745 -9.982 12.669 1.00 0.00 N ATOM 921 CA ASP A 60 -12.052 -10.768 11.479 1.00 0.00 C ATOM 922 C ASP A 60 -11.761 -9.971 10.211 1.00 0.00 C ATOM 923 O ASP A 60 -12.565 -9.136 9.793 1.00 0.00 O ATOM 924 CB ASP A 60 -13.517 -11.206 11.496 1.00 0.00 C ATOM 925 CG ASP A 60 -13.673 -12.711 11.389 1.00 0.00 C ATOM 926 OD1 ASP A 60 -12.804 -13.353 10.764 1.00 0.00 O ATOM 927 OD2 ASP A 60 -14.663 -13.245 11.930 1.00 0.00 O ATOM 0 H ASP A 60 -12.036 -9.006 12.616 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.416 -11.653 11.484 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.986 -10.860 12.417 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.045 -10.729 10.670 1.00 0.00 H new ATOM 932 N ILE A 61 -10.608 -10.233 9.606 1.00 0.00 N ATOM 933 CA ILE A 61 -10.212 -9.540 8.386 1.00 0.00 C ATOM 934 C ILE A 61 -9.849 -10.530 7.284 1.00 0.00 C ATOM 935 O ILE A 61 -9.131 -11.502 7.521 1.00 0.00 O ATOM 936 CB ILE A 61 -9.014 -8.604 8.634 1.00 0.00 C ATOM 937 CG1 ILE A 61 -9.340 -7.607 9.748 1.00 0.00 C ATOM 938 CG2 ILE A 61 -8.640 -7.872 7.354 1.00 0.00 C ATOM 939 CD1 ILE A 61 -8.143 -6.808 10.214 1.00 0.00 C ATOM 0 H ILE A 61 -9.932 -10.920 9.940 1.00 0.00 H new ATOM 0 HA ILE A 61 -11.069 -8.945 8.069 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.161 -9.205 8.948 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -10.110 -6.921 9.396 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.759 -8.147 10.597 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.792 -7.215 7.545 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.371 -8.597 6.586 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.489 -7.279 7.013 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.449 -6.122 11.004 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.380 -7.486 10.597 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.737 -6.240 9.377 1.00 0.00 H new ATOM 951 N ARG A 62 -10.349 -10.275 6.080 1.00 0.00 N ATOM 952 CA ARG A 62 -10.078 -11.144 4.941 1.00 0.00 C ATOM 953 C ARG A 62 -9.459 -10.355 3.791 1.00 0.00 C ATOM 954 O ARG A 62 -9.877 -9.235 3.495 1.00 0.00 O ATOM 955 CB ARG A 62 -11.366 -11.824 4.472 1.00 0.00 C ATOM 956 CG ARG A 62 -11.435 -13.302 4.820 1.00 0.00 C ATOM 957 CD ARG A 62 -12.584 -13.990 4.099 1.00 0.00 C ATOM 958 NE ARG A 62 -13.104 -15.125 4.857 1.00 0.00 N ATOM 959 CZ ARG A 62 -14.279 -15.695 4.614 1.00 0.00 C ATOM 960 NH1 ARG A 62 -15.052 -15.237 3.639 1.00 0.00 N ATOM 961 NH2 ARG A 62 -14.683 -16.724 5.347 1.00 0.00 N ATOM 0 H ARG A 62 -10.944 -9.474 5.868 1.00 0.00 H new ATOM 0 HA ARG A 62 -9.368 -11.907 5.259 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -12.220 -11.314 4.918 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -11.455 -11.709 3.392 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.495 -13.784 4.552 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -11.558 -13.418 5.897 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -13.385 -13.272 3.926 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -12.246 -14.332 3.121 1.00 0.00 H new ATOM 0 HE ARG A 62 -12.534 -15.501 5.615 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -14.745 -14.445 3.074 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -15.954 -15.676 3.454 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -14.091 -17.079 6.098 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -15.585 -17.161 5.159 1.00 0.00 H new ATOM 975 N LYS A 63 -8.459 -10.946 3.145 1.00 0.00 N ATOM 976 CA LYS A 63 -7.782 -10.300 2.026 1.00 0.00 C ATOM 977 C LYS A 63 -8.778 -9.912 0.938 1.00 0.00 C ATOM 978 O LYS A 63 -8.537 -8.986 0.165 1.00 0.00 O ATOM 979 CB LYS A 63 -6.713 -11.228 1.446 1.00 0.00 C ATOM 980 CG LYS A 63 -5.558 -10.491 0.791 1.00 0.00 C ATOM 981 CD LYS A 63 -4.947 -11.303 -0.339 1.00 0.00 C ATOM 982 CE LYS A 63 -3.879 -12.256 0.174 1.00 0.00 C ATOM 983 NZ LYS A 63 -4.326 -13.676 0.111 1.00 0.00 N ATOM 0 H LYS A 63 -8.099 -11.872 3.377 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.305 -9.393 2.397 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.323 -11.862 2.242 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.176 -11.887 0.711 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.908 -9.534 0.404 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.794 -10.273 1.538 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.729 -11.869 -0.845 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.511 -10.630 -1.078 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.970 -12.135 -0.416 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.628 -12.000 1.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.570 -14.294 0.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.179 -13.798 0.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.542 -13.929 -0.875 1.00 0.00 H new ATOM 997 N SER A 64 -9.899 -10.626 0.886 1.00 0.00 N ATOM 998 CA SER A 64 -10.930 -10.357 -0.109 1.00 0.00 C ATOM 999 C SER A 64 -11.649 -9.046 0.194 1.00 0.00 C ATOM 1000 O SER A 64 -12.206 -8.409 -0.700 1.00 0.00 O ATOM 1001 CB SER A 64 -11.938 -11.507 -0.153 1.00 0.00 C ATOM 1002 OG SER A 64 -11.588 -12.455 -1.146 1.00 0.00 O ATOM 0 H SER A 64 -10.116 -11.394 1.521 1.00 0.00 H new ATOM 0 HA SER A 64 -10.447 -10.269 -1.082 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.980 -11.995 0.821 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.934 -11.114 -0.356 1.00 0.00 H new ATOM 0 HG SER A 64 -12.247 -13.180 -1.152 1.00 0.00 H new ATOM 1008 N ASP A 65 -11.633 -8.650 1.462 1.00 0.00 N ATOM 1009 CA ASP A 65 -12.283 -7.415 1.885 1.00 0.00 C ATOM 1010 C ASP A 65 -11.282 -6.264 1.933 1.00 0.00 C ATOM 1011 O ASP A 65 -11.478 -5.287 2.657 1.00 0.00 O ATOM 1012 CB ASP A 65 -12.932 -7.599 3.257 1.00 0.00 C ATOM 1013 CG ASP A 65 -14.320 -8.202 3.165 1.00 0.00 C ATOM 1014 OD1 ASP A 65 -15.124 -7.718 2.340 1.00 0.00 O ATOM 1015 OD2 ASP A 65 -14.602 -9.159 3.916 1.00 0.00 O ATOM 0 H ASP A 65 -11.177 -9.166 2.215 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.056 -7.172 1.156 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.300 -8.241 3.871 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.991 -6.634 3.760 1.00 0.00 H new ATOM 1020 N LEU A 66 -10.211 -6.386 1.157 1.00 0.00 N ATOM 1021 CA LEU A 66 -9.178 -5.356 1.111 1.00 0.00 C ATOM 1022 C LEU A 66 -9.283 -4.537 -0.172 1.00 0.00 C ATOM 1023 O LEU A 66 -9.253 -5.086 -1.274 1.00 0.00 O ATOM 1024 CB LEU A 66 -7.791 -5.992 1.212 1.00 0.00 C ATOM 1025 CG LEU A 66 -7.422 -6.586 2.572 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -6.013 -7.156 2.541 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -7.551 -5.536 3.665 1.00 0.00 C ATOM 0 H LEU A 66 -10.035 -7.187 0.551 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.327 -4.688 1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.719 -6.780 0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.048 -5.238 0.954 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.115 -7.398 2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.768 -7.574 3.517 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.954 -7.939 1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.305 -6.364 2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.285 -5.976 4.626 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.882 -4.703 3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.579 -5.175 3.704 1.00 0.00 H new ATOM 1039 N ILE A 67 -9.403 -3.223 -0.020 1.00 0.00 N ATOM 1040 CA ILE A 67 -9.508 -2.329 -1.167 1.00 0.00 C ATOM 1041 C ILE A 67 -8.497 -1.191 -1.071 1.00 0.00 C ATOM 1042 O ILE A 67 -7.985 -0.892 0.008 1.00 0.00 O ATOM 1043 CB ILE A 67 -10.924 -1.734 -1.288 1.00 0.00 C ATOM 1044 CG1 ILE A 67 -11.364 -1.131 0.047 1.00 0.00 C ATOM 1045 CG2 ILE A 67 -11.909 -2.800 -1.745 1.00 0.00 C ATOM 1046 CD1 ILE A 67 -12.661 -0.358 -0.037 1.00 0.00 C ATOM 0 H ILE A 67 -9.430 -2.754 0.885 1.00 0.00 H new ATOM 0 HA ILE A 67 -9.296 -2.926 -2.054 1.00 0.00 H new ATOM 0 HB ILE A 67 -10.906 -0.940 -2.034 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.474 -1.931 0.779 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -10.579 -0.469 0.414 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -12.905 -2.364 -1.826 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -11.602 -3.186 -2.717 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -11.927 -3.614 -1.020 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -12.911 0.041 0.946 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -12.550 0.464 -0.744 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -13.458 -1.021 -0.373 1.00 0.00 H new ATOM 1058 N GLN A 68 -8.216 -0.560 -2.206 1.00 0.00 N ATOM 1059 CA GLN A 68 -7.267 0.546 -2.250 1.00 0.00 C ATOM 1060 C GLN A 68 -7.985 1.885 -2.116 1.00 0.00 C ATOM 1061 O GLN A 68 -8.883 2.200 -2.898 1.00 0.00 O ATOM 1062 CB GLN A 68 -6.469 0.510 -3.554 1.00 0.00 C ATOM 1063 CG GLN A 68 -5.851 -0.847 -3.851 1.00 0.00 C ATOM 1064 CD GLN A 68 -5.060 -0.857 -5.145 1.00 0.00 C ATOM 1065 OE1 GLN A 68 -4.989 0.150 -5.850 1.00 0.00 O ATOM 1066 NE2 GLN A 68 -4.461 -1.998 -5.463 1.00 0.00 N ATOM 0 H GLN A 68 -8.632 -0.795 -3.107 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.581 0.436 -1.410 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.124 0.790 -4.379 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -5.678 1.258 -3.507 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.197 -1.132 -3.027 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.640 -1.597 -3.906 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.547 -2.808 -4.849 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.915 -2.065 -6.322 1.00 0.00 H new ATOM 1075 N ASP A 69 -7.585 2.669 -1.122 1.00 0.00 N ATOM 1076 CA ASP A 69 -8.189 3.975 -0.886 1.00 0.00 C ATOM 1077 C ASP A 69 -7.428 5.069 -1.628 1.00 0.00 C ATOM 1078 O ASP A 69 -6.213 5.200 -1.483 1.00 0.00 O ATOM 1079 CB ASP A 69 -8.220 4.284 0.612 1.00 0.00 C ATOM 1080 CG ASP A 69 -9.180 5.407 0.952 1.00 0.00 C ATOM 1081 OD1 ASP A 69 -9.186 6.423 0.226 1.00 0.00 O ATOM 1082 OD2 ASP A 69 -9.926 5.270 1.944 1.00 0.00 O ATOM 0 H ASP A 69 -6.844 2.423 -0.466 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.211 3.948 -1.265 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.507 3.386 1.159 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.218 4.553 0.945 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.150 5.850 -2.425 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.541 6.931 -3.191 1.00 0.00 C ATOM 1089 C GLU A 70 -7.558 8.235 -2.400 1.00 0.00 C ATOM 1090 O GLU A 70 -6.591 8.996 -2.417 1.00 0.00 O ATOM 1091 CB GLU A 70 -8.274 7.119 -4.521 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.894 8.396 -5.250 1.00 0.00 C ATOM 1093 CD GLU A 70 -7.626 8.169 -6.725 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -8.591 7.887 -7.467 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -6.452 8.272 -7.138 1.00 0.00 O ATOM 0 H GLU A 70 -9.157 5.754 -2.557 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.504 6.661 -3.391 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.063 6.266 -5.166 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.348 7.122 -4.337 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.696 9.126 -5.139 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.006 8.825 -4.785 1.00 0.00 H new ATOM 1102 N ALA A 71 -8.665 8.487 -1.709 1.00 0.00 N ATOM 1103 CA ALA A 71 -8.808 9.698 -0.910 1.00 0.00 C ATOM 1104 C ALA A 71 -7.695 9.807 0.127 1.00 0.00 C ATOM 1105 O ALA A 71 -7.347 10.903 0.566 1.00 0.00 O ATOM 1106 CB ALA A 71 -10.169 9.725 -0.231 1.00 0.00 C ATOM 0 H ALA A 71 -9.476 7.869 -1.686 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.731 10.555 -1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.262 10.635 0.362 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.953 9.703 -0.987 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -10.268 8.856 0.420 1.00 0.00 H new ATOM 1112 N LEU A 72 -7.141 8.663 0.515 1.00 0.00 N ATOM 1113 CA LEU A 72 -6.067 8.630 1.502 1.00 0.00 C ATOM 1114 C LEU A 72 -4.702 8.701 0.824 1.00 0.00 C ATOM 1115 O LEU A 72 -3.813 9.425 1.272 1.00 0.00 O ATOM 1116 CB LEU A 72 -6.164 7.358 2.346 1.00 0.00 C ATOM 1117 CG LEU A 72 -5.574 7.441 3.754 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -5.991 6.235 4.581 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -4.057 7.547 3.691 1.00 0.00 C ATOM 0 H LEU A 72 -7.418 7.747 0.162 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.175 9.499 2.151 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.215 7.081 2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.663 6.551 1.811 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.962 8.338 4.237 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.561 6.312 5.580 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.078 6.203 4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.633 5.324 4.102 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.654 7.605 4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.651 6.669 3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.778 8.443 3.137 1.00 0.00 H new ATOM 1131 N ARG A 73 -4.545 7.947 -0.259 1.00 0.00 N ATOM 1132 CA ARG A 73 -3.289 7.926 -0.999 1.00 0.00 C ATOM 1133 C ARG A 73 -2.883 9.335 -1.421 1.00 0.00 C ATOM 1134 O ARG A 73 -1.762 9.772 -1.163 1.00 0.00 O ATOM 1135 CB ARG A 73 -3.414 7.029 -2.232 1.00 0.00 C ATOM 1136 CG ARG A 73 -2.563 5.772 -2.159 1.00 0.00 C ATOM 1137 CD ARG A 73 -1.952 5.434 -3.510 1.00 0.00 C ATOM 1138 NE ARG A 73 -2.950 5.434 -4.577 1.00 0.00 N ATOM 1139 CZ ARG A 73 -3.814 4.445 -4.774 1.00 0.00 C ATOM 1140 NH1 ARG A 73 -3.804 3.382 -3.981 1.00 0.00 N ATOM 1141 NH2 ARG A 73 -4.692 4.517 -5.767 1.00 0.00 N ATOM 0 H ARG A 73 -5.271 7.343 -0.643 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.516 7.525 -0.343 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.458 6.744 -2.359 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.130 7.599 -3.116 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.770 5.910 -1.424 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.174 4.937 -1.816 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.170 6.156 -3.745 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.477 4.455 -3.458 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.985 6.237 -5.205 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.131 3.322 -3.217 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.469 2.624 -4.135 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.703 5.333 -6.380 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.355 3.757 -5.917 1.00 0.00 H new ATOM 1155 N ARG A 74 -3.802 10.040 -2.073 1.00 0.00 N ATOM 1156 CA ARG A 74 -3.539 11.399 -2.532 1.00 0.00 C ATOM 1157 C ARG A 74 -3.037 12.272 -1.387 1.00 0.00 C ATOM 1158 O ARG A 74 -2.136 13.090 -1.566 1.00 0.00 O ATOM 1159 CB ARG A 74 -4.805 12.009 -3.137 1.00 0.00 C ATOM 1160 CG ARG A 74 -5.153 11.455 -4.509 1.00 0.00 C ATOM 1161 CD ARG A 74 -6.500 11.971 -4.992 1.00 0.00 C ATOM 1162 NE ARG A 74 -6.638 11.864 -6.442 1.00 0.00 N ATOM 1163 CZ ARG A 74 -7.719 12.255 -7.108 1.00 0.00 C ATOM 1164 NH1 ARG A 74 -8.750 12.776 -6.458 1.00 0.00 N ATOM 1165 NH2 ARG A 74 -7.770 12.125 -8.428 1.00 0.00 N ATOM 0 H ARG A 74 -4.735 9.693 -2.295 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.764 11.354 -3.297 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.642 11.833 -2.461 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.677 13.089 -3.212 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.378 11.734 -5.223 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.172 10.366 -4.469 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.299 11.408 -4.509 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.618 13.012 -4.692 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.862 11.467 -6.972 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.715 12.878 -5.444 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.579 13.075 -6.972 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.979 11.725 -8.932 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.600 12.425 -8.938 1.00 0.00 H new ATOM 1179 N ALA A 75 -3.628 12.093 -0.210 1.00 0.00 N ATOM 1180 CA ALA A 75 -3.240 12.864 0.965 1.00 0.00 C ATOM 1181 C ALA A 75 -1.766 12.655 1.296 1.00 0.00 C ATOM 1182 O ALA A 75 -1.021 13.617 1.487 1.00 0.00 O ATOM 1183 CB ALA A 75 -4.109 12.485 2.155 1.00 0.00 C ATOM 0 H ALA A 75 -4.377 11.421 -0.045 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.389 13.920 0.742 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.808 13.068 3.025 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.154 12.692 1.923 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.988 11.423 2.370 1.00 0.00 H new ATOM 1189 N ILE A 76 -1.352 11.394 1.363 1.00 0.00 N ATOM 1190 CA ILE A 76 0.033 11.061 1.670 1.00 0.00 C ATOM 1191 C ILE A 76 0.988 11.692 0.663 1.00 0.00 C ATOM 1192 O ILE A 76 2.090 12.110 1.015 1.00 0.00 O ATOM 1193 CB ILE A 76 0.255 9.537 1.685 1.00 0.00 C ATOM 1194 CG1 ILE A 76 -0.698 8.870 2.680 1.00 0.00 C ATOM 1195 CG2 ILE A 76 1.701 9.216 2.032 1.00 0.00 C ATOM 1196 CD1 ILE A 76 -0.613 7.360 2.678 1.00 0.00 C ATOM 0 H ILE A 76 -1.956 10.587 1.209 1.00 0.00 H new ATOM 0 HA ILE A 76 0.240 11.461 2.663 1.00 0.00 H new ATOM 0 HB ILE A 76 0.044 9.144 0.690 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.479 9.237 3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.720 9.169 2.448 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.842 8.135 2.039 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.361 9.664 1.289 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.937 9.619 3.017 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.315 6.955 3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.862 6.983 1.686 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.399 7.052 2.940 1.00 0.00 H new ATOM 1208 N GLU A 77 0.555 11.760 -0.593 1.00 0.00 N ATOM 1209 CA GLU A 77 1.371 12.342 -1.651 1.00 0.00 C ATOM 1210 C GLU A 77 1.429 13.861 -1.520 1.00 0.00 C ATOM 1211 O GLU A 77 2.429 14.487 -1.869 1.00 0.00 O ATOM 1212 CB GLU A 77 0.815 11.959 -3.024 1.00 0.00 C ATOM 1213 CG GLU A 77 1.549 10.799 -3.676 1.00 0.00 C ATOM 1214 CD GLU A 77 1.277 10.699 -5.164 1.00 0.00 C ATOM 1215 OE1 GLU A 77 0.535 11.554 -5.691 1.00 0.00 O ATOM 1216 OE2 GLU A 77 1.807 9.765 -5.802 1.00 0.00 O ATOM 0 H GLU A 77 -0.356 11.419 -0.901 1.00 0.00 H new ATOM 0 HA GLU A 77 2.382 11.947 -1.553 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.238 11.699 -2.920 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.866 12.826 -3.682 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.621 10.915 -3.513 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.252 9.868 -3.193 1.00 0.00 H new ATOM 1223 N ASN A 78 0.349 14.448 -1.015 1.00 0.00 N ATOM 1224 CA ASN A 78 0.275 15.894 -0.839 1.00 0.00 C ATOM 1225 C ASN A 78 1.189 16.350 0.294 1.00 0.00 C ATOM 1226 O ASN A 78 1.651 17.492 0.312 1.00 0.00 O ATOM 1227 CB ASN A 78 -1.165 16.321 -0.551 1.00 0.00 C ATOM 1228 CG ASN A 78 -1.440 17.751 -0.975 1.00 0.00 C ATOM 1229 OD1 ASN A 78 -1.144 18.143 -2.104 1.00 0.00 O ATOM 1230 ND2 ASN A 78 -2.008 18.538 -0.069 1.00 0.00 N ATOM 0 H ASN A 78 -0.488 13.944 -0.720 1.00 0.00 H new ATOM 0 HA ASN A 78 0.608 16.366 -1.764 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.850 15.652 -1.072 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.366 16.216 0.515 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -2.216 19.510 -0.297 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -2.236 18.170 0.855 1.00 0.00 H new ATOM 1237 N HIS A 79 1.448 15.451 1.238 1.00 0.00 N ATOM 1238 CA HIS A 79 2.308 15.761 2.374 1.00 0.00 C ATOM 1239 C HIS A 79 3.749 15.347 2.094 1.00 0.00 C ATOM 1240 O HIS A 79 4.687 15.911 2.656 1.00 0.00 O ATOM 1241 CB HIS A 79 1.799 15.057 3.633 1.00 0.00 C ATOM 1242 CG HIS A 79 2.582 15.392 4.865 1.00 0.00 C ATOM 1243 ND1 HIS A 79 2.427 16.575 5.556 1.00 0.00 N ATOM 1244 CD2 HIS A 79 3.530 14.691 5.529 1.00 0.00 C ATOM 1245 CE1 HIS A 79 3.246 16.587 6.592 1.00 0.00 C ATOM 1246 NE2 HIS A 79 3.927 15.455 6.599 1.00 0.00 N ATOM 0 H HIS A 79 1.074 14.502 1.239 1.00 0.00 H new ATOM 0 HA HIS A 79 2.283 16.839 2.533 1.00 0.00 H new ATOM 0 HB2 HIS A 79 0.755 15.325 3.792 1.00 0.00 H new ATOM 0 HB3 HIS A 79 1.831 13.979 3.474 1.00 0.00 H new ATOM 0 HD2 HIS A 79 3.905 13.713 5.266 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.343 17.387 7.311 1.00 0.00 H new ATOM 0 HE2 HIS A 79 4.633 15.191 7.287 1.00 0.00 H new ATOM 1254 N ASN A 80 3.917 14.359 1.220 1.00 0.00 N ATOM 1255 CA ASN A 80 5.244 13.870 0.866 1.00 0.00 C ATOM 1256 C ASN A 80 5.943 14.834 -0.088 1.00 0.00 C ATOM 1257 O ASN A 80 7.170 14.934 -0.099 1.00 0.00 O ATOM 1258 CB ASN A 80 5.145 12.484 0.226 1.00 0.00 C ATOM 1259 CG ASN A 80 5.402 11.368 1.221 1.00 0.00 C ATOM 1260 OD1 ASN A 80 6.146 11.541 2.186 1.00 0.00 O ATOM 1261 ND2 ASN A 80 4.784 10.215 0.989 1.00 0.00 N ATOM 0 H ASN A 80 3.151 13.882 0.745 1.00 0.00 H new ATOM 0 HA ASN A 80 5.834 13.800 1.780 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.154 12.358 -0.209 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.863 12.412 -0.591 1.00 0.00 H new ATOM 0 HD21 ASN A 80 4.918 9.428 1.624 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.176 10.117 0.176 1.00 0.00 H new ATOM 1268 N LYS A 81 5.153 15.542 -0.888 1.00 0.00 N ATOM 1269 CA LYS A 81 5.694 16.500 -1.845 1.00 0.00 C ATOM 1270 C LYS A 81 6.577 17.528 -1.145 1.00 0.00 C ATOM 1271 O LYS A 81 7.523 18.053 -1.734 1.00 0.00 O ATOM 1272 CB LYS A 81 4.557 17.208 -2.586 1.00 0.00 C ATOM 1273 CG LYS A 81 3.810 18.217 -1.733 1.00 0.00 C ATOM 1274 CD LYS A 81 4.314 19.631 -1.970 1.00 0.00 C ATOM 1275 CE LYS A 81 4.217 20.477 -0.710 1.00 0.00 C ATOM 1276 NZ LYS A 81 2.802 20.706 -0.304 1.00 0.00 N ATOM 0 H LYS A 81 4.136 15.470 -0.893 1.00 0.00 H new ATOM 0 HA LYS A 81 6.304 15.953 -2.564 1.00 0.00 H new ATOM 0 HB2 LYS A 81 4.965 17.715 -3.460 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.852 16.461 -2.951 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.745 18.167 -1.958 1.00 0.00 H new ATOM 0 HG3 LYS A 81 3.925 17.961 -0.680 1.00 0.00 H new ATOM 0 HD2 LYS A 81 5.350 19.597 -2.308 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.734 20.096 -2.767 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.752 19.983 0.101 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.707 21.436 -0.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.777 21.301 0.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.293 21.184 -1.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.347 19.793 -0.103 1.00 0.00 H new ATOM 1290 N LYS A 82 6.263 17.812 0.114 1.00 0.00 N ATOM 1291 CA LYS A 82 7.029 18.775 0.896 1.00 0.00 C ATOM 1292 C LYS A 82 8.464 18.298 1.092 1.00 0.00 C ATOM 1293 O LYS A 82 9.394 19.103 1.149 1.00 0.00 O ATOM 1294 CB LYS A 82 6.365 19.003 2.256 1.00 0.00 C ATOM 1295 CG LYS A 82 6.057 20.461 2.546 1.00 0.00 C ATOM 1296 CD LYS A 82 6.360 20.818 3.992 1.00 0.00 C ATOM 1297 CE LYS A 82 5.145 20.607 4.884 1.00 0.00 C ATOM 1298 NZ LYS A 82 5.507 19.942 6.166 1.00 0.00 N ATOM 0 H LYS A 82 5.482 17.388 0.615 1.00 0.00 H new ATOM 0 HA LYS A 82 7.050 19.716 0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.439 18.429 2.300 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.017 18.616 3.039 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.644 21.097 1.883 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.007 20.661 2.333 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.188 20.208 4.353 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.681 21.858 4.052 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.677 21.569 5.093 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.408 20.002 4.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.652 19.816 6.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.931 19.013 5.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.191 20.532 6.682 1.00 0.00 H new ATOM 1312 N ARG A 83 8.638 16.984 1.195 1.00 0.00 N ATOM 1313 CA ARG A 83 9.960 16.400 1.385 1.00 0.00 C ATOM 1314 C ARG A 83 10.255 15.360 0.308 1.00 0.00 C ATOM 1315 O ARG A 83 9.783 14.225 0.381 1.00 0.00 O ATOM 1316 CB ARG A 83 10.064 15.760 2.770 1.00 0.00 C ATOM 1317 CG ARG A 83 10.875 16.579 3.761 1.00 0.00 C ATOM 1318 CD ARG A 83 11.145 15.800 5.038 1.00 0.00 C ATOM 1319 NE ARG A 83 9.916 15.507 5.771 1.00 0.00 N ATOM 1320 CZ ARG A 83 9.295 16.390 6.546 1.00 0.00 C ATOM 1321 NH1 ARG A 83 9.785 17.614 6.687 1.00 0.00 N ATOM 1322 NH2 ARG A 83 8.181 16.049 7.181 1.00 0.00 N ATOM 0 H ARG A 83 7.879 16.304 1.150 1.00 0.00 H new ATOM 0 HA ARG A 83 10.697 17.199 1.306 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.060 15.613 3.169 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.516 14.773 2.672 1.00 0.00 H new ATOM 0 HG2 ARG A 83 11.821 16.871 3.305 1.00 0.00 H new ATOM 0 HG3 ARG A 83 10.339 17.498 4.000 1.00 0.00 H new ATOM 0 HD2 ARG A 83 11.652 14.867 4.793 1.00 0.00 H new ATOM 0 HD3 ARG A 83 11.820 16.371 5.675 1.00 0.00 H new ATOM 0 HE ARG A 83 9.513 14.574 5.683 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.641 17.880 6.200 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.306 18.290 7.283 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.801 15.109 7.074 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.705 16.727 7.776 1.00 0.00 H new ATOM 1336 N HIS A 84 11.037 15.756 -0.692 1.00 0.00 N ATOM 1337 CA HIS A 84 11.395 14.858 -1.784 1.00 0.00 C ATOM 1338 C HIS A 84 12.889 14.932 -2.081 1.00 0.00 C ATOM 1339 O HIS A 84 13.312 14.795 -3.229 1.00 0.00 O ATOM 1340 CB HIS A 84 10.596 15.205 -3.040 1.00 0.00 C ATOM 1341 CG HIS A 84 10.144 14.005 -3.814 1.00 0.00 C ATOM 1342 ND1 HIS A 84 8.900 13.431 -3.652 1.00 0.00 N ATOM 1343 CD2 HIS A 84 10.776 13.271 -4.759 1.00 0.00 C ATOM 1344 CE1 HIS A 84 8.788 12.394 -4.464 1.00 0.00 C ATOM 1345 NE2 HIS A 84 9.913 12.276 -5.147 1.00 0.00 N ATOM 0 H HIS A 84 11.434 16.692 -0.768 1.00 0.00 H new ATOM 0 HA HIS A 84 11.153 13.840 -1.478 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.723 15.793 -2.755 1.00 0.00 H new ATOM 0 HB3 HIS A 84 11.207 15.835 -3.687 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.774 13.437 -5.138 1.00 0.00 H new ATOM 0 HE1 HIS A 84 7.924 11.752 -4.554 1.00 0.00 H new ATOM 0 HE2 HIS A 84 10.109 11.562 -5.848 1.00 0.00 H new ATOM 1353 N ARG A 85 13.685 15.150 -1.038 1.00 0.00 N ATOM 1354 CA ARG A 85 15.132 15.244 -1.188 1.00 0.00 C ATOM 1355 C ARG A 85 15.505 16.318 -2.205 1.00 0.00 C ATOM 1356 O ARG A 85 16.078 16.022 -3.254 1.00 0.00 O ATOM 1357 CB ARG A 85 15.710 13.895 -1.619 1.00 0.00 C ATOM 1358 CG ARG A 85 15.889 12.914 -0.472 1.00 0.00 C ATOM 1359 CD ARG A 85 17.268 13.037 0.157 1.00 0.00 C ATOM 1360 NE ARG A 85 17.194 13.235 1.602 1.00 0.00 N ATOM 1361 CZ ARG A 85 18.258 13.436 2.371 1.00 0.00 C ATOM 1362 NH1 ARG A 85 19.471 13.468 1.836 1.00 0.00 N ATOM 1363 NH2 ARG A 85 18.111 13.608 3.679 1.00 0.00 N ATOM 0 H ARG A 85 13.352 15.265 -0.081 1.00 0.00 H new ATOM 0 HA ARG A 85 15.555 15.521 -0.222 1.00 0.00 H new ATOM 0 HB2 ARG A 85 15.053 13.450 -2.367 1.00 0.00 H new ATOM 0 HB3 ARG A 85 16.675 14.059 -2.099 1.00 0.00 H new ATOM 0 HG2 ARG A 85 15.125 13.094 0.285 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.743 11.897 -0.836 1.00 0.00 H new ATOM 0 HD2 ARG A 85 17.846 12.138 -0.057 1.00 0.00 H new ATOM 0 HD3 ARG A 85 17.800 13.873 -0.297 1.00 0.00 H new ATOM 0 HE ARG A 85 16.275 13.218 2.045 1.00 0.00 H new ATOM 0 HH11 ARG A 85 19.589 13.338 0.831 1.00 0.00 H new ATOM 0 HH12 ARG A 85 20.286 13.623 2.429 1.00 0.00 H new ATOM 0 HH21 ARG A 85 17.180 13.586 4.095 1.00 0.00 H new ATOM 0 HH22 ARG A 85 18.929 13.762 4.268 1.00 0.00 H new ATOM 1377 N HIS A 86 15.174 17.566 -1.889 1.00 0.00 N ATOM 1378 CA HIS A 86 15.474 18.684 -2.775 1.00 0.00 C ATOM 1379 C HIS A 86 16.668 19.482 -2.259 1.00 0.00 C ATOM 1380 O HIS A 86 16.653 19.984 -1.136 1.00 0.00 O ATOM 1381 CB HIS A 86 14.256 19.598 -2.909 1.00 0.00 C ATOM 1382 CG HIS A 86 14.121 20.223 -4.263 1.00 0.00 C ATOM 1383 ND1 HIS A 86 13.545 19.576 -5.336 1.00 0.00 N ATOM 1384 CD2 HIS A 86 14.489 21.444 -4.715 1.00 0.00 C ATOM 1385 CE1 HIS A 86 13.567 20.372 -6.391 1.00 0.00 C ATOM 1386 NE2 HIS A 86 14.134 21.512 -6.040 1.00 0.00 N ATOM 0 H HIS A 86 14.698 17.828 -1.026 1.00 0.00 H new ATOM 0 HA HIS A 86 15.725 18.280 -3.756 1.00 0.00 H new ATOM 0 HB2 HIS A 86 13.356 19.023 -2.692 1.00 0.00 H new ATOM 0 HB3 HIS A 86 14.320 20.386 -2.159 1.00 0.00 H new ATOM 0 HD2 HIS A 86 14.972 22.221 -4.141 1.00 0.00 H new ATOM 0 HE1 HIS A 86 13.186 20.131 -7.373 1.00 0.00 H new ATOM 0 HE2 HIS A 86 14.284 22.313 -6.653 1.00 0.00 H new ATOM 1394 N SER A 87 17.702 19.593 -3.088 1.00 0.00 N ATOM 1395 CA SER A 87 18.906 20.325 -2.713 1.00 0.00 C ATOM 1396 C SER A 87 19.081 21.565 -3.585 1.00 0.00 C ATOM 1397 O SER A 87 19.311 22.663 -3.080 1.00 0.00 O ATOM 1398 CB SER A 87 20.136 19.423 -2.837 1.00 0.00 C ATOM 1399 OG SER A 87 21.285 20.050 -2.294 1.00 0.00 O ATOM 0 H SER A 87 17.730 19.186 -4.023 1.00 0.00 H new ATOM 0 HA SER A 87 18.800 20.643 -1.676 1.00 0.00 H new ATOM 0 HB2 SER A 87 19.954 18.481 -2.320 1.00 0.00 H new ATOM 0 HB3 SER A 87 20.310 19.183 -3.886 1.00 0.00 H new ATOM 0 HG SER A 87 22.057 19.453 -2.384 1.00 0.00 H new ATOM 1405 N GLU A 88 18.971 21.379 -4.896 1.00 0.00 N ATOM 1406 CA GLU A 88 19.118 22.482 -5.839 1.00 0.00 C ATOM 1407 C GLU A 88 18.016 23.519 -5.639 1.00 0.00 C ATOM 1408 O GLU A 88 16.839 23.175 -5.525 1.00 0.00 O ATOM 1409 CB GLU A 88 19.089 21.961 -7.277 1.00 0.00 C ATOM 1410 CG GLU A 88 20.411 21.369 -7.736 1.00 0.00 C ATOM 1411 CD GLU A 88 20.240 20.355 -8.850 1.00 0.00 C ATOM 1412 OE1 GLU A 88 19.142 20.306 -9.444 1.00 0.00 O ATOM 1413 OE2 GLU A 88 21.203 19.610 -9.128 1.00 0.00 O ATOM 0 H GLU A 88 18.781 20.476 -5.330 1.00 0.00 H new ATOM 0 HA GLU A 88 20.080 22.959 -5.653 1.00 0.00 H new ATOM 0 HB2 GLU A 88 18.311 21.203 -7.364 1.00 0.00 H new ATOM 0 HB3 GLU A 88 18.815 22.777 -7.945 1.00 0.00 H new ATOM 0 HG2 GLU A 88 21.065 22.171 -8.077 1.00 0.00 H new ATOM 0 HG3 GLU A 88 20.905 20.893 -6.889 1.00 0.00 H new ATOM 1420 N SER A 89 18.406 24.789 -5.598 1.00 0.00 N ATOM 1421 CA SER A 89 17.452 25.875 -5.408 1.00 0.00 C ATOM 1422 C SER A 89 17.096 26.525 -6.742 1.00 0.00 C ATOM 1423 O SER A 89 17.947 26.683 -7.616 1.00 0.00 O ATOM 1424 CB SER A 89 18.026 26.925 -4.455 1.00 0.00 C ATOM 1425 OG SER A 89 19.111 26.399 -3.710 1.00 0.00 O ATOM 0 H SER A 89 19.376 25.091 -5.694 1.00 0.00 H new ATOM 0 HA SER A 89 16.544 25.456 -4.973 1.00 0.00 H new ATOM 0 HB2 SER A 89 18.358 27.794 -5.023 1.00 0.00 H new ATOM 0 HB3 SER A 89 17.246 27.268 -3.775 1.00 0.00 H new ATOM 0 HG SER A 89 19.461 27.090 -3.110 1.00 0.00 H new ATOM 1431 N GLY A 90 15.829 26.899 -6.891 1.00 0.00 N ATOM 1432 CA GLY A 90 15.380 27.527 -8.120 1.00 0.00 C ATOM 1433 C GLY A 90 13.872 27.666 -8.183 1.00 0.00 C ATOM 1434 O GLY A 90 13.208 27.081 -9.039 1.00 0.00 O ATOM 0 H GLY A 90 15.105 26.778 -6.182 1.00 0.00 H new ATOM 0 HA2 GLY A 90 15.837 28.513 -8.208 1.00 0.00 H new ATOM 0 HA3 GLY A 90 15.723 26.939 -8.971 1.00 0.00 H new ATOM 1438 N PRO A 91 13.308 28.457 -7.258 1.00 0.00 N ATOM 1439 CA PRO A 91 11.862 28.689 -7.191 1.00 0.00 C ATOM 1440 C PRO A 91 11.354 29.528 -8.359 1.00 0.00 C ATOM 1441 O PRO A 91 10.330 29.210 -8.964 1.00 0.00 O ATOM 1442 CB PRO A 91 11.686 29.447 -5.873 1.00 0.00 C ATOM 1443 CG PRO A 91 12.998 30.112 -5.639 1.00 0.00 C ATOM 1444 CD PRO A 91 14.038 29.187 -6.208 1.00 0.00 C ATOM 0 HA PRO A 91 11.297 27.758 -7.243 1.00 0.00 H new ATOM 0 HB2 PRO A 91 10.879 30.177 -5.941 1.00 0.00 H new ATOM 0 HB3 PRO A 91 11.435 28.769 -5.057 1.00 0.00 H new ATOM 0 HG2 PRO A 91 13.034 31.086 -6.126 1.00 0.00 H new ATOM 0 HG3 PRO A 91 13.166 30.281 -4.575 1.00 0.00 H new ATOM 0 HD2 PRO A 91 14.885 29.738 -6.617 1.00 0.00 H new ATOM 0 HD3 PRO A 91 14.433 28.511 -5.449 1.00 0.00 H new ATOM 1452 N SER A 92 12.077 30.599 -8.671 1.00 0.00 N ATOM 1453 CA SER A 92 11.697 31.484 -9.766 1.00 0.00 C ATOM 1454 C SER A 92 10.350 32.145 -9.487 1.00 0.00 C ATOM 1455 O SER A 92 9.296 31.567 -9.752 1.00 0.00 O ATOM 1456 CB SER A 92 11.634 30.706 -11.081 1.00 0.00 C ATOM 1457 OG SER A 92 11.595 31.585 -12.192 1.00 0.00 O ATOM 0 H SER A 92 12.928 30.875 -8.181 1.00 0.00 H new ATOM 0 HA SER A 92 12.454 32.263 -9.850 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.502 30.051 -11.162 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.751 30.067 -11.087 1.00 0.00 H new ATOM 0 HG SER A 92 11.557 31.063 -13.021 1.00 0.00 H new ATOM 1463 N SER A 93 10.394 33.361 -8.952 1.00 0.00 N ATOM 1464 CA SER A 93 9.178 34.100 -8.634 1.00 0.00 C ATOM 1465 C SER A 93 9.509 35.513 -8.163 1.00 0.00 C ATOM 1466 O SER A 93 10.677 35.881 -8.039 1.00 0.00 O ATOM 1467 CB SER A 93 8.377 33.366 -7.557 1.00 0.00 C ATOM 1468 OG SER A 93 6.983 33.497 -7.781 1.00 0.00 O ATOM 0 H SER A 93 11.258 33.855 -8.730 1.00 0.00 H new ATOM 0 HA SER A 93 8.576 34.169 -9.540 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.650 32.311 -7.552 1.00 0.00 H new ATOM 0 HB3 SER A 93 8.630 33.766 -6.575 1.00 0.00 H new ATOM 0 HG SER A 93 6.493 33.018 -7.081 1.00 0.00 H new ATOM 1474 N GLY A 94 8.471 36.302 -7.901 1.00 0.00 N ATOM 1475 CA GLY A 94 8.671 37.665 -7.447 1.00 0.00 C ATOM 1476 C GLY A 94 8.761 38.652 -8.595 1.00 0.00 C ATOM 1477 O GLY A 94 9.107 38.249 -9.704 1.00 0.00 O ATOM 0 H GLY A 94 7.495 36.021 -7.995 1.00 0.00 H new ATOM 0 HA2 GLY A 94 7.849 37.950 -6.790 1.00 0.00 H new ATOM 0 HA3 GLY A 94 9.585 37.717 -6.855 1.00 0.00 H new TER 1481 GLY A 94 HETATM 1482 ZN ZN A 201 -10.978 -1.918 13.104 1.00 0.00 ZN