USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=25 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+ 180:sc= 0 (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 180:sc= -0.179 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 52:sc= -0.98 USER MOD Single : A 13 THR OG1 : rot -163:sc= -0.598 USER MOD Single : A 14 LYS NZ :NH3+ 154:sc= 1.02 (180deg=0.579) USER MOD Single : A 17 MET CE :methyl 178:sc= -0.226 (180deg=-0.249) 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+ -108:sc= -0.22 (180deg=-2.17!) USER MOD Single : A 23 ASN : amide:sc= -4.37! C(o=-4.4!,f=-5.8!) 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 -39:sc= 0.149 USER MOD Single : A 38 MET CE :methyl 155:sc= -0.0765 (180deg=-1.03) 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) 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+ -168:sc= 0 (180deg=-0.0406) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.546 X(o=-0.55,f=-0.23) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= -1.66 K(o=-1.7,f=-5.5!) 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 X(o=0,f=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.76 K(o=-0.76,f=-0.065) USER MOD Single : A 80 ASN : amide:sc= 0.426 X(o=0.43,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -150:sc= -0.119 (180deg=-0.592) USER MOD Single : A 84 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.07) USER MOD Single : A 86 HIS : no HD1:sc=-0.00553 X(o=-0.0055,f=-0.011) 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= -0.0231 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.271 6.127 17.634 1.00 0.00 N ATOM 2 CA GLY A 1 0.015 5.533 17.949 1.00 0.00 C ATOM 3 C GLY A 1 0.161 5.214 19.424 1.00 0.00 C ATOM 4 O GLY A 1 -0.198 4.124 19.869 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.321 6.326 16.614 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.031 5.468 17.896 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.383 7.014 18.166 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.141 4.619 17.369 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.810 6.215 17.647 1.00 0.00 H new ATOM 8 N SER A 2 0.690 6.167 20.184 1.00 0.00 N ATOM 9 CA SER A 2 0.888 5.981 21.617 1.00 0.00 C ATOM 10 C SER A 2 1.437 7.251 22.259 1.00 0.00 C ATOM 11 O SER A 2 0.974 7.674 23.318 1.00 0.00 O ATOM 12 CB SER A 2 1.841 4.812 21.874 1.00 0.00 C ATOM 13 OG SER A 2 2.242 4.770 23.232 1.00 0.00 O ATOM 0 H SER A 2 0.989 7.076 19.832 1.00 0.00 H new ATOM 0 HA SER A 2 -0.079 5.757 22.067 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.352 3.875 21.607 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.719 4.907 21.235 1.00 0.00 H new ATOM 0 HG SER A 2 2.849 4.013 23.371 1.00 0.00 H new ATOM 19 N SER A 3 2.428 7.854 21.610 1.00 0.00 N ATOM 20 CA SER A 3 3.044 9.074 22.119 1.00 0.00 C ATOM 21 C SER A 3 3.485 9.979 20.972 1.00 0.00 C ATOM 22 O SER A 3 4.586 10.528 20.989 1.00 0.00 O ATOM 23 CB SER A 3 4.243 8.733 23.005 1.00 0.00 C ATOM 24 OG SER A 3 5.138 7.860 22.339 1.00 0.00 O ATOM 0 H SER A 3 2.821 7.518 20.731 1.00 0.00 H new ATOM 0 HA SER A 3 2.302 9.606 22.714 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.764 9.649 23.285 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.896 8.268 23.928 1.00 0.00 H new ATOM 0 HG SER A 3 5.896 7.659 22.926 1.00 0.00 H new ATOM 30 N GLY A 4 2.617 10.128 19.977 1.00 0.00 N ATOM 31 CA GLY A 4 2.934 10.966 18.835 1.00 0.00 C ATOM 32 C GLY A 4 2.503 10.345 17.522 1.00 0.00 C ATOM 33 O GLY A 4 2.457 9.122 17.391 1.00 0.00 O ATOM 0 H GLY A 4 1.700 9.684 19.941 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.447 11.934 18.952 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.008 11.150 18.811 1.00 0.00 H new ATOM 37 N SER A 5 2.184 11.189 16.546 1.00 0.00 N ATOM 38 CA SER A 5 1.749 10.715 15.237 1.00 0.00 C ATOM 39 C SER A 5 2.026 11.761 14.161 1.00 0.00 C ATOM 40 O SER A 5 2.124 12.953 14.449 1.00 0.00 O ATOM 41 CB SER A 5 0.257 10.378 15.264 1.00 0.00 C ATOM 42 OG SER A 5 -0.029 9.407 16.256 1.00 0.00 O ATOM 0 H SER A 5 2.219 12.204 16.637 1.00 0.00 H new ATOM 0 HA SER A 5 2.314 9.814 14.998 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.320 11.282 15.459 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.053 10.007 14.287 1.00 0.00 H new ATOM 0 HG SER A 5 -0.989 9.210 16.254 1.00 0.00 H new ATOM 48 N SER A 6 2.152 11.304 12.919 1.00 0.00 N ATOM 49 CA SER A 6 2.422 12.198 11.799 1.00 0.00 C ATOM 50 C SER A 6 2.022 11.549 10.478 1.00 0.00 C ATOM 51 O SER A 6 2.436 10.431 10.172 1.00 0.00 O ATOM 52 CB SER A 6 3.904 12.576 11.767 1.00 0.00 C ATOM 53 OG SER A 6 4.084 13.956 12.037 1.00 0.00 O ATOM 0 H SER A 6 2.071 10.320 12.663 1.00 0.00 H new ATOM 0 HA SER A 6 1.827 13.101 11.935 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.450 11.984 12.502 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.323 12.336 10.790 1.00 0.00 H new ATOM 0 HG SER A 6 5.040 14.172 12.013 1.00 0.00 H new ATOM 59 N GLY A 7 1.214 12.259 9.697 1.00 0.00 N ATOM 60 CA GLY A 7 0.771 11.738 8.417 1.00 0.00 C ATOM 61 C GLY A 7 0.010 10.434 8.555 1.00 0.00 C ATOM 62 O GLY A 7 -1.073 10.398 9.140 1.00 0.00 O ATOM 0 H GLY A 7 0.858 13.187 9.928 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.136 12.476 7.928 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.636 11.584 7.772 1.00 0.00 H new ATOM 66 N PHE A 8 0.575 9.361 8.013 1.00 0.00 N ATOM 67 CA PHE A 8 -0.059 8.049 8.075 1.00 0.00 C ATOM 68 C PHE A 8 0.942 6.981 8.506 1.00 0.00 C ATOM 69 O PHE A 8 1.917 6.708 7.804 1.00 0.00 O ATOM 70 CB PHE A 8 -0.660 7.684 6.716 1.00 0.00 C ATOM 71 CG PHE A 8 -1.979 8.348 6.446 1.00 0.00 C ATOM 72 CD1 PHE A 8 -3.157 7.799 6.924 1.00 0.00 C ATOM 73 CD2 PHE A 8 -2.041 9.523 5.713 1.00 0.00 C ATOM 74 CE1 PHE A 8 -4.373 8.408 6.675 1.00 0.00 C ATOM 75 CE2 PHE A 8 -3.253 10.137 5.462 1.00 0.00 C ATOM 76 CZ PHE A 8 -4.421 9.579 5.945 1.00 0.00 C ATOM 0 H PHE A 8 1.471 9.374 7.526 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.857 8.093 8.816 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.044 7.960 5.931 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -0.789 6.603 6.663 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.126 6.885 7.498 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.131 9.964 5.334 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -5.285 7.968 7.051 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -3.287 11.052 4.889 1.00 0.00 H new ATOM 0 HZ PHE A 8 -5.370 10.058 5.752 1.00 0.00 H new ATOM 86 N THR A 9 0.694 6.378 9.665 1.00 0.00 N ATOM 87 CA THR A 9 1.573 5.342 10.190 1.00 0.00 C ATOM 88 C THR A 9 0.812 4.042 10.425 1.00 0.00 C ATOM 89 O THR A 9 -0.289 4.047 10.978 1.00 0.00 O ATOM 90 CB THR A 9 2.234 5.782 11.510 1.00 0.00 C ATOM 91 OG1 THR A 9 1.522 6.892 12.069 1.00 0.00 O ATOM 92 CG2 THR A 9 3.688 6.167 11.286 1.00 0.00 C ATOM 0 H THR A 9 -0.109 6.590 10.257 1.00 0.00 H new ATOM 0 HA THR A 9 2.348 5.176 9.442 1.00 0.00 H new ATOM 0 HB THR A 9 2.200 4.942 12.204 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.948 7.164 12.909 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.133 6.474 12.232 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.234 5.311 10.889 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.741 6.992 10.576 1.00 0.00 H new ATOM 100 N CYS A 10 1.404 2.931 10.002 1.00 0.00 N ATOM 101 CA CYS A 10 0.781 1.622 10.167 1.00 0.00 C ATOM 102 C CYS A 10 1.016 1.081 11.573 1.00 0.00 C ATOM 103 O CYS A 10 2.139 1.060 12.077 1.00 0.00 O ATOM 104 CB CYS A 10 1.328 0.640 9.131 1.00 0.00 C ATOM 105 SG CYS A 10 0.351 -0.872 8.958 1.00 0.00 S ATOM 0 H CYS A 10 2.314 2.910 9.542 1.00 0.00 H new ATOM 0 HA CYS A 10 -0.293 1.736 10.017 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.378 1.140 8.164 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.348 0.371 9.404 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.896 -0.563 8.763 1.00 0.00 H new ATOM 111 N PRO A 11 -0.068 0.633 12.224 1.00 0.00 N ATOM 112 CA PRO A 11 -0.006 0.085 13.582 1.00 0.00 C ATOM 113 C PRO A 11 0.701 -1.266 13.630 1.00 0.00 C ATOM 114 O PRO A 11 1.001 -1.782 14.707 1.00 0.00 O ATOM 115 CB PRO A 11 -1.478 -0.069 13.970 1.00 0.00 C ATOM 116 CG PRO A 11 -2.199 -0.210 12.674 1.00 0.00 C ATOM 117 CD PRO A 11 -1.438 0.628 11.684 1.00 0.00 C ATOM 0 HA PRO A 11 0.562 0.728 14.255 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.631 -0.942 14.605 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.833 0.797 14.528 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.233 -1.253 12.358 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.231 0.131 12.762 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.474 0.199 10.683 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.846 1.636 11.613 1.00 0.00 H new ATOM 125 N ILE A 12 0.965 -1.832 12.457 1.00 0.00 N ATOM 126 CA ILE A 12 1.639 -3.121 12.366 1.00 0.00 C ATOM 127 C ILE A 12 3.135 -2.945 12.133 1.00 0.00 C ATOM 128 O ILE A 12 3.954 -3.302 12.981 1.00 0.00 O ATOM 129 CB ILE A 12 1.052 -3.984 11.233 1.00 0.00 C ATOM 130 CG1 ILE A 12 -0.458 -4.149 11.417 1.00 0.00 C ATOM 131 CG2 ILE A 12 1.738 -5.342 11.192 1.00 0.00 C ATOM 132 CD1 ILE A 12 -1.136 -4.844 10.257 1.00 0.00 C ATOM 0 H ILE A 12 0.722 -1.418 11.557 1.00 0.00 H new ATOM 0 HA ILE A 12 1.480 -3.628 13.318 1.00 0.00 H new ATOM 0 HB ILE A 12 1.230 -3.480 10.283 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.645 -4.716 12.329 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.909 -3.166 11.555 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.312 -5.940 10.386 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.805 -5.205 11.018 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.588 -5.854 12.142 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.204 -4.926 10.456 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.980 -4.267 9.346 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.712 -5.841 10.132 1.00 0.00 H new ATOM 144 N THR A 13 3.487 -2.390 10.977 1.00 0.00 N ATOM 145 CA THR A 13 4.885 -2.165 10.632 1.00 0.00 C ATOM 146 C THR A 13 5.473 -1.014 11.442 1.00 0.00 C ATOM 147 O THR A 13 6.690 -0.907 11.595 1.00 0.00 O ATOM 148 CB THR A 13 5.051 -1.859 9.132 1.00 0.00 C ATOM 149 OG1 THR A 13 4.304 -0.688 8.785 1.00 0.00 O ATOM 150 CG2 THR A 13 4.584 -3.034 8.285 1.00 0.00 C ATOM 0 H THR A 13 2.823 -2.088 10.264 1.00 0.00 H new ATOM 0 HA THR A 13 5.421 -3.084 10.869 1.00 0.00 H new ATOM 0 HB THR A 13 6.109 -1.686 8.934 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.185 -0.652 7.813 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.711 -2.795 7.229 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.174 -3.917 8.530 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.532 -3.233 8.488 1.00 0.00 H new ATOM 158 N LYS A 14 4.601 -0.155 11.959 1.00 0.00 N ATOM 159 CA LYS A 14 5.033 0.987 12.755 1.00 0.00 C ATOM 160 C LYS A 14 5.872 1.948 11.919 1.00 0.00 C ATOM 161 O LYS A 14 6.895 2.454 12.379 1.00 0.00 O ATOM 162 CB LYS A 14 5.838 0.515 13.968 1.00 0.00 C ATOM 163 CG LYS A 14 5.199 -0.650 14.706 1.00 0.00 C ATOM 164 CD LYS A 14 3.863 -0.259 15.314 1.00 0.00 C ATOM 165 CE LYS A 14 3.727 -0.776 16.739 1.00 0.00 C ATOM 166 NZ LYS A 14 2.302 -0.953 17.131 1.00 0.00 N ATOM 0 H LYS A 14 3.591 -0.228 11.841 1.00 0.00 H new ATOM 0 HA LYS A 14 4.143 1.514 13.099 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.836 0.223 13.640 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.961 1.349 14.659 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.057 -1.484 14.018 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.870 -0.996 15.492 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.763 0.826 15.308 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.053 -0.657 14.702 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.250 -1.728 16.831 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.209 -0.080 17.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.234 -1.679 17.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.927 -0.053 17.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.749 -1.251 16.303 1.00 0.00 H new ATOM 180 N GLU A 15 5.431 2.195 10.689 1.00 0.00 N ATOM 181 CA GLU A 15 6.142 3.095 9.790 1.00 0.00 C ATOM 182 C GLU A 15 5.187 3.714 8.773 1.00 0.00 C ATOM 183 O GLU A 15 4.031 3.309 8.666 1.00 0.00 O ATOM 184 CB GLU A 15 7.263 2.348 9.064 1.00 0.00 C ATOM 185 CG GLU A 15 6.764 1.236 8.157 1.00 0.00 C ATOM 186 CD GLU A 15 7.498 1.192 6.831 1.00 0.00 C ATOM 187 OE1 GLU A 15 7.183 2.020 5.950 1.00 0.00 O ATOM 188 OE2 GLU A 15 8.388 0.329 6.673 1.00 0.00 O ATOM 0 H GLU A 15 4.585 1.784 10.293 1.00 0.00 H new ATOM 0 HA GLU A 15 6.577 3.895 10.389 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.838 3.059 8.471 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.944 1.925 9.802 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.880 0.278 8.664 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.698 1.372 7.974 1.00 0.00 H new ATOM 195 N GLU A 16 5.681 4.699 8.029 1.00 0.00 N ATOM 196 CA GLU A 16 4.872 5.375 7.022 1.00 0.00 C ATOM 197 C GLU A 16 4.220 4.366 6.080 1.00 0.00 C ATOM 198 O GLU A 16 4.791 3.315 5.789 1.00 0.00 O ATOM 199 CB GLU A 16 5.730 6.356 6.220 1.00 0.00 C ATOM 200 CG GLU A 16 4.948 7.534 5.663 1.00 0.00 C ATOM 201 CD GLU A 16 5.120 7.693 4.165 1.00 0.00 C ATOM 202 OE1 GLU A 16 5.100 6.666 3.454 1.00 0.00 O ATOM 203 OE2 GLU A 16 5.275 8.843 3.704 1.00 0.00 O ATOM 0 H GLU A 16 6.637 5.046 8.105 1.00 0.00 H new ATOM 0 HA GLU A 16 4.086 5.927 7.536 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.530 6.731 6.858 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.203 5.822 5.396 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.890 7.404 5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.271 8.448 6.161 1.00 0.00 H new ATOM 210 N MET A 17 3.021 4.693 5.610 1.00 0.00 N ATOM 211 CA MET A 17 2.292 3.816 4.701 1.00 0.00 C ATOM 212 C MET A 17 2.297 4.377 3.283 1.00 0.00 C ATOM 213 O MET A 17 1.883 5.513 3.052 1.00 0.00 O ATOM 214 CB MET A 17 0.852 3.629 5.184 1.00 0.00 C ATOM 215 CG MET A 17 0.742 3.357 6.675 1.00 0.00 C ATOM 216 SD MET A 17 -0.810 2.555 7.122 1.00 0.00 S ATOM 217 CE MET A 17 -1.995 3.779 6.567 1.00 0.00 C ATOM 0 H MET A 17 2.534 5.558 5.843 1.00 0.00 H new ATOM 0 HA MET A 17 2.792 2.848 4.691 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.277 4.523 4.943 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.399 2.802 4.638 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.575 2.728 6.988 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.831 4.297 7.219 1.00 0.00 H new ATOM 0 HE1 MET A 17 -3.006 3.412 6.742 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.845 4.707 7.119 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.856 3.964 5.502 1.00 0.00 H new ATOM 227 N LYS A 18 2.768 3.574 2.335 1.00 0.00 N ATOM 228 CA LYS A 18 2.825 3.989 0.939 1.00 0.00 C ATOM 229 C LYS A 18 1.569 3.556 0.190 1.00 0.00 C ATOM 230 O LYS A 18 1.094 4.256 -0.705 1.00 0.00 O ATOM 231 CB LYS A 18 4.065 3.400 0.261 1.00 0.00 C ATOM 232 CG LYS A 18 5.372 3.828 0.906 1.00 0.00 C ATOM 233 CD LYS A 18 5.714 5.270 0.569 1.00 0.00 C ATOM 234 CE LYS A 18 6.338 5.387 -0.813 1.00 0.00 C ATOM 235 NZ LYS A 18 5.438 6.087 -1.771 1.00 0.00 N ATOM 0 H LYS A 18 3.116 2.631 2.509 1.00 0.00 H new ATOM 0 HA LYS A 18 2.885 5.077 0.912 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.998 2.312 0.282 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.072 3.699 -0.787 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.300 3.713 1.988 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.176 3.174 0.569 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.811 5.879 0.614 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.403 5.665 1.315 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.282 5.927 -0.741 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.569 4.392 -1.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.900 6.146 -2.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.547 5.558 -1.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.238 7.046 -1.422 1.00 0.00 H new ATOM 249 N LYS A 19 1.034 2.398 0.561 1.00 0.00 N ATOM 250 CA LYS A 19 -0.169 1.871 -0.073 1.00 0.00 C ATOM 251 C LYS A 19 -1.256 1.601 0.962 1.00 0.00 C ATOM 252 O LYS A 19 -1.432 0.477 1.433 1.00 0.00 O ATOM 253 CB LYS A 19 0.154 0.585 -0.837 1.00 0.00 C ATOM 254 CG LYS A 19 0.735 0.829 -2.219 1.00 0.00 C ATOM 255 CD LYS A 19 2.166 0.329 -2.319 1.00 0.00 C ATOM 256 CE LYS A 19 2.563 0.058 -3.762 1.00 0.00 C ATOM 257 NZ LYS A 19 3.122 1.271 -4.420 1.00 0.00 N ATOM 0 H LYS A 19 1.415 1.806 1.299 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.538 2.620 -0.774 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.860 -0.006 -0.254 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.755 -0.008 -0.934 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.120 0.328 -2.967 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.705 1.895 -2.444 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.841 1.068 -1.887 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.275 -0.584 -1.733 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.301 -0.744 -3.791 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.693 -0.289 -4.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.380 1.045 -5.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.409 2.028 -4.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.967 1.588 -3.904 1.00 0.00 H new ATOM 271 N PRO A 20 -2.003 2.654 1.326 1.00 0.00 N ATOM 272 CA PRO A 20 -3.087 2.554 2.307 1.00 0.00 C ATOM 273 C PRO A 20 -4.280 1.766 1.776 1.00 0.00 C ATOM 274 O PRO A 20 -4.737 1.992 0.656 1.00 0.00 O ATOM 275 CB PRO A 20 -3.478 4.013 2.554 1.00 0.00 C ATOM 276 CG PRO A 20 -3.076 4.728 1.311 1.00 0.00 C ATOM 277 CD PRO A 20 -1.848 4.022 0.805 1.00 0.00 C ATOM 0 HA PRO A 20 -2.774 2.024 3.206 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.548 4.110 2.738 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -2.966 4.418 3.427 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.875 4.701 0.570 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.866 5.778 1.515 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.797 4.034 -0.284 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.935 4.491 1.172 1.00 0.00 H new ATOM 285 N VAL A 21 -4.780 0.839 2.587 1.00 0.00 N ATOM 286 CA VAL A 21 -5.921 0.018 2.199 1.00 0.00 C ATOM 287 C VAL A 21 -6.955 -0.049 3.317 1.00 0.00 C ATOM 288 O VAL A 21 -6.619 -0.293 4.476 1.00 0.00 O ATOM 289 CB VAL A 21 -5.484 -1.413 1.833 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.524 -1.392 0.653 1.00 0.00 C ATOM 291 CG2 VAL A 21 -4.852 -2.100 3.033 1.00 0.00 C ATOM 0 H VAL A 21 -4.413 0.638 3.517 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.367 0.489 1.323 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.367 -1.981 1.542 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.226 -2.411 0.408 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.016 -0.941 -0.209 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.641 -0.808 0.913 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.549 -3.110 2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.978 -1.535 3.357 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.575 -2.148 3.847 1.00 0.00 H new ATOM 301 N LYS A 22 -8.217 0.170 2.962 1.00 0.00 N ATOM 302 CA LYS A 22 -9.303 0.133 3.934 1.00 0.00 C ATOM 303 C LYS A 22 -9.973 -1.237 3.949 1.00 0.00 C ATOM 304 O LYS A 22 -10.014 -1.930 2.933 1.00 0.00 O ATOM 305 CB LYS A 22 -10.337 1.215 3.615 1.00 0.00 C ATOM 306 CG LYS A 22 -11.488 1.267 4.605 1.00 0.00 C ATOM 307 CD LYS A 22 -12.752 0.655 4.024 1.00 0.00 C ATOM 308 CE LYS A 22 -13.680 1.721 3.462 1.00 0.00 C ATOM 309 NZ LYS A 22 -14.572 1.178 2.401 1.00 0.00 N ATOM 0 H LYS A 22 -8.513 0.375 2.008 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.881 0.322 4.921 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.841 2.185 3.596 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.736 1.041 2.616 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.210 0.735 5.515 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.680 2.302 4.887 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.487 -0.050 3.236 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -13.272 0.089 4.797 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.285 2.136 4.268 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.087 2.540 3.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.269 1.539 1.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.520 0.139 2.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -15.551 1.476 2.585 1.00 0.00 H new ATOM 323 N ASN A 23 -10.499 -1.621 5.108 1.00 0.00 N ATOM 324 CA ASN A 23 -11.168 -2.909 5.254 1.00 0.00 C ATOM 325 C ASN A 23 -12.674 -2.764 5.054 1.00 0.00 C ATOM 326 O ASN A 23 -13.331 -1.983 5.743 1.00 0.00 O ATOM 327 CB ASN A 23 -10.880 -3.503 6.635 1.00 0.00 C ATOM 328 CG ASN A 23 -10.394 -4.937 6.557 1.00 0.00 C ATOM 329 OD1 ASN A 23 -9.394 -5.230 5.901 1.00 0.00 O ATOM 330 ND2 ASN A 23 -11.100 -5.839 7.228 1.00 0.00 N ATOM 0 H ASN A 23 -10.475 -1.059 5.959 1.00 0.00 H new ATOM 0 HA ASN A 23 -10.780 -3.582 4.489 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.129 -2.895 7.140 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.785 -3.461 7.241 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.820 -6.820 7.213 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.922 -5.551 7.759 1.00 0.00 H new ATOM 337 N LYS A 24 -13.215 -3.524 4.108 1.00 0.00 N ATOM 338 CA LYS A 24 -14.643 -3.484 3.817 1.00 0.00 C ATOM 339 C LYS A 24 -15.452 -4.038 4.985 1.00 0.00 C ATOM 340 O LYS A 24 -16.636 -3.736 5.132 1.00 0.00 O ATOM 341 CB LYS A 24 -14.949 -4.282 2.547 1.00 0.00 C ATOM 342 CG LYS A 24 -13.981 -4.008 1.409 1.00 0.00 C ATOM 343 CD LYS A 24 -14.713 -3.783 0.097 1.00 0.00 C ATOM 344 CE LYS A 24 -15.522 -5.007 -0.306 1.00 0.00 C ATOM 345 NZ LYS A 24 -15.805 -5.027 -1.768 1.00 0.00 N ATOM 0 H LYS A 24 -12.685 -4.176 3.529 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.927 -2.443 3.662 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.928 -5.346 2.783 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -15.961 -4.049 2.216 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.379 -3.131 1.646 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.294 -4.848 1.304 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.375 -2.922 0.191 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.993 -3.547 -0.687 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.978 -5.910 -0.029 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -16.462 -5.019 0.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.358 -5.876 -2.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.346 -4.178 -2.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.909 -5.041 -2.295 1.00 0.00 H new ATOM 359 N VAL A 25 -14.805 -4.849 5.815 1.00 0.00 N ATOM 360 CA VAL A 25 -15.463 -5.443 6.973 1.00 0.00 C ATOM 361 C VAL A 25 -15.601 -4.432 8.105 1.00 0.00 C ATOM 362 O VAL A 25 -16.710 -4.035 8.466 1.00 0.00 O ATOM 363 CB VAL A 25 -14.692 -6.673 7.488 1.00 0.00 C ATOM 364 CG1 VAL A 25 -15.505 -7.411 8.540 1.00 0.00 C ATOM 365 CG2 VAL A 25 -14.331 -7.597 6.335 1.00 0.00 C ATOM 0 H VAL A 25 -13.825 -5.110 5.707 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.455 -5.756 6.647 1.00 0.00 H new ATOM 0 HB VAL A 25 -13.767 -6.332 7.952 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -14.944 -8.277 8.892 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -15.706 -6.744 9.378 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -16.448 -7.742 8.105 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.787 -8.461 6.717 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.242 -7.933 5.839 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -13.705 -7.061 5.621 1.00 0.00 H new ATOM 375 N CYS A 26 -14.469 -4.019 8.664 1.00 0.00 N ATOM 376 CA CYS A 26 -14.462 -3.054 9.756 1.00 0.00 C ATOM 377 C CYS A 26 -14.533 -1.626 9.221 1.00 0.00 C ATOM 378 O CYS A 26 -15.471 -0.887 9.516 1.00 0.00 O ATOM 379 CB CYS A 26 -13.204 -3.228 10.610 1.00 0.00 C ATOM 380 SG CYS A 26 -13.065 -2.035 11.980 1.00 0.00 S ATOM 0 H CYS A 26 -13.543 -4.338 8.378 1.00 0.00 H new ATOM 0 HA CYS A 26 -15.341 -3.236 10.374 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.192 -4.238 11.019 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.327 -3.134 9.970 1.00 0.00 H new ATOM 385 N GLY A 27 -13.532 -1.245 8.432 1.00 0.00 N ATOM 386 CA GLY A 27 -13.500 0.092 7.868 1.00 0.00 C ATOM 387 C GLY A 27 -12.177 0.791 8.109 1.00 0.00 C ATOM 388 O GLY A 27 -11.852 1.770 7.436 1.00 0.00 O ATOM 0 H GLY A 27 -12.743 -1.838 8.174 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.687 0.035 6.796 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.305 0.685 8.301 1.00 0.00 H new ATOM 392 N HIS A 28 -11.412 0.290 9.074 1.00 0.00 N ATOM 393 CA HIS A 28 -10.116 0.874 9.403 1.00 0.00 C ATOM 394 C HIS A 28 -9.203 0.893 8.181 1.00 0.00 C ATOM 395 O HIS A 28 -9.587 0.451 7.098 1.00 0.00 O ATOM 396 CB HIS A 28 -9.454 0.092 10.538 1.00 0.00 C ATOM 397 CG HIS A 28 -9.781 0.621 11.900 1.00 0.00 C ATOM 398 ND1 HIS A 28 -10.255 -0.173 12.922 1.00 0.00 N ATOM 399 CD2 HIS A 28 -9.697 1.874 12.407 1.00 0.00 C ATOM 400 CE1 HIS A 28 -10.451 0.568 13.999 1.00 0.00 C ATOM 401 NE2 HIS A 28 -10.119 1.814 13.712 1.00 0.00 N ATOM 0 H HIS A 28 -11.667 -0.518 9.641 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.280 1.902 9.728 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.764 -0.951 10.478 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.373 0.112 10.399 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.361 2.756 11.882 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.820 0.215 14.951 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.168 2.604 14.356 1.00 0.00 H new ATOM 409 N THR A 29 -7.990 1.408 8.363 1.00 0.00 N ATOM 410 CA THR A 29 -7.023 1.487 7.276 1.00 0.00 C ATOM 411 C THR A 29 -5.685 0.882 7.686 1.00 0.00 C ATOM 412 O THR A 29 -5.247 1.035 8.826 1.00 0.00 O ATOM 413 CB THR A 29 -6.799 2.943 6.827 1.00 0.00 C ATOM 414 OG1 THR A 29 -7.526 3.835 7.678 1.00 0.00 O ATOM 415 CG2 THR A 29 -7.240 3.138 5.384 1.00 0.00 C ATOM 0 H THR A 29 -7.655 1.776 9.253 1.00 0.00 H new ATOM 0 HA THR A 29 -7.437 0.918 6.443 1.00 0.00 H new ATOM 0 HB THR A 29 -5.734 3.162 6.897 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.377 4.759 7.387 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.072 4.174 5.089 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.664 2.478 4.735 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.300 2.902 5.292 1.00 0.00 H new ATOM 423 N TYR A 30 -5.040 0.194 6.750 1.00 0.00 N ATOM 424 CA TYR A 30 -3.752 -0.435 7.015 1.00 0.00 C ATOM 425 C TYR A 30 -2.831 -0.322 5.804 1.00 0.00 C ATOM 426 O TYR A 30 -3.226 0.187 4.756 1.00 0.00 O ATOM 427 CB TYR A 30 -3.947 -1.907 7.385 1.00 0.00 C ATOM 428 CG TYR A 30 -5.270 -2.191 8.059 1.00 0.00 C ATOM 429 CD1 TYR A 30 -5.501 -1.801 9.373 1.00 0.00 C ATOM 430 CD2 TYR A 30 -6.289 -2.850 7.383 1.00 0.00 C ATOM 431 CE1 TYR A 30 -6.708 -2.060 9.993 1.00 0.00 C ATOM 432 CE2 TYR A 30 -7.500 -3.112 7.994 1.00 0.00 C ATOM 433 CZ TYR A 30 -7.704 -2.715 9.299 1.00 0.00 C ATOM 434 OH TYR A 30 -8.908 -2.974 9.913 1.00 0.00 O ATOM 0 H TYR A 30 -5.388 0.058 5.801 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.287 0.086 7.852 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.871 -2.513 6.482 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -3.138 -2.217 8.046 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.724 -1.287 9.919 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -6.132 -3.163 6.361 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.871 -1.751 11.015 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -8.282 -3.624 7.453 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.751 -3.239 10.843 1.00 0.00 H new ATOM 444 N GLU A 31 -1.600 -0.800 5.959 1.00 0.00 N ATOM 445 CA GLU A 31 -0.622 -0.752 4.878 1.00 0.00 C ATOM 446 C GLU A 31 -0.648 -2.041 4.063 1.00 0.00 C ATOM 447 O GLU A 31 -0.871 -3.124 4.603 1.00 0.00 O ATOM 448 CB GLU A 31 0.782 -0.521 5.442 1.00 0.00 C ATOM 449 CG GLU A 31 1.887 -0.698 4.414 1.00 0.00 C ATOM 450 CD GLU A 31 3.062 0.230 4.655 1.00 0.00 C ATOM 451 OE1 GLU A 31 3.431 0.427 5.832 1.00 0.00 O ATOM 452 OE2 GLU A 31 3.612 0.760 3.667 1.00 0.00 O ATOM 0 H GLU A 31 -1.257 -1.224 6.821 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.884 0.078 4.222 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.838 0.487 5.853 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.951 -1.212 6.268 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.235 -1.731 4.434 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.484 -0.516 3.418 1.00 0.00 H new ATOM 459 N GLU A 32 -0.419 -1.915 2.759 1.00 0.00 N ATOM 460 CA GLU A 32 -0.418 -3.070 1.869 1.00 0.00 C ATOM 461 C GLU A 32 0.536 -4.147 2.377 1.00 0.00 C ATOM 462 O GLU A 32 0.108 -5.221 2.801 1.00 0.00 O ATOM 463 CB GLU A 32 -0.022 -2.649 0.452 1.00 0.00 C ATOM 464 CG GLU A 32 -0.432 -3.649 -0.616 1.00 0.00 C ATOM 465 CD GLU A 32 -0.049 -3.199 -2.013 1.00 0.00 C ATOM 466 OE1 GLU A 32 1.146 -3.294 -2.361 1.00 0.00 O ATOM 467 OE2 GLU A 32 -0.946 -2.753 -2.759 1.00 0.00 O ATOM 0 H GLU A 32 -0.232 -1.025 2.296 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.427 -3.483 1.849 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.477 -1.684 0.228 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.058 -2.509 0.412 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.036 -4.611 -0.407 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.510 -3.802 -0.570 1.00 0.00 H new ATOM 474 N ASP A 33 1.831 -3.853 2.330 1.00 0.00 N ATOM 475 CA ASP A 33 2.847 -4.795 2.785 1.00 0.00 C ATOM 476 C ASP A 33 2.514 -5.322 4.177 1.00 0.00 C ATOM 477 O ASP A 33 2.843 -6.458 4.517 1.00 0.00 O ATOM 478 CB ASP A 33 4.223 -4.129 2.794 1.00 0.00 C ATOM 479 CG ASP A 33 4.696 -3.758 1.402 1.00 0.00 C ATOM 480 OD1 ASP A 33 3.972 -3.013 0.708 1.00 0.00 O ATOM 481 OD2 ASP A 33 5.790 -4.211 1.007 1.00 0.00 O ATOM 0 H ASP A 33 2.202 -2.969 1.981 1.00 0.00 H new ATOM 0 HA ASP A 33 2.864 -5.636 2.092 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.185 -3.232 3.413 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.947 -4.803 3.253 1.00 0.00 H new ATOM 486 N ALA A 34 1.860 -4.488 4.979 1.00 0.00 N ATOM 487 CA ALA A 34 1.482 -4.871 6.334 1.00 0.00 C ATOM 488 C ALA A 34 0.405 -5.951 6.320 1.00 0.00 C ATOM 489 O ALA A 34 0.621 -7.061 6.805 1.00 0.00 O ATOM 490 CB ALA A 34 1.001 -3.654 7.111 1.00 0.00 C ATOM 0 H ALA A 34 1.581 -3.543 4.714 1.00 0.00 H new ATOM 0 HA ALA A 34 2.363 -5.280 6.828 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.722 -3.954 8.121 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.800 -2.914 7.160 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.136 -3.221 6.609 1.00 0.00 H new ATOM 496 N ILE A 35 -0.753 -5.617 5.761 1.00 0.00 N ATOM 497 CA ILE A 35 -1.863 -6.560 5.684 1.00 0.00 C ATOM 498 C ILE A 35 -1.495 -7.773 4.837 1.00 0.00 C ATOM 499 O ILE A 35 -2.117 -8.830 4.944 1.00 0.00 O ATOM 500 CB ILE A 35 -3.123 -5.899 5.094 1.00 0.00 C ATOM 501 CG1 ILE A 35 -4.340 -6.804 5.292 1.00 0.00 C ATOM 502 CG2 ILE A 35 -2.919 -5.591 3.618 1.00 0.00 C ATOM 503 CD1 ILE A 35 -4.684 -7.046 6.745 1.00 0.00 C ATOM 0 H ILE A 35 -0.947 -4.702 5.355 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.075 -6.882 6.703 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.302 -4.961 5.619 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.200 -6.357 4.793 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.153 -7.762 4.807 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.818 -5.124 3.216 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.075 -4.912 3.501 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.718 -6.516 3.078 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.557 -7.696 6.809 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.840 -7.522 7.244 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.903 -6.095 7.230 1.00 0.00 H new ATOM 515 N VAL A 36 -0.479 -7.614 3.994 1.00 0.00 N ATOM 516 CA VAL A 36 -0.026 -8.697 3.130 1.00 0.00 C ATOM 517 C VAL A 36 0.959 -9.605 3.858 1.00 0.00 C ATOM 518 O VAL A 36 0.935 -10.825 3.691 1.00 0.00 O ATOM 519 CB VAL A 36 0.640 -8.155 1.852 1.00 0.00 C ATOM 520 CG1 VAL A 36 1.287 -9.285 1.065 1.00 0.00 C ATOM 521 CG2 VAL A 36 -0.375 -7.411 0.997 1.00 0.00 C ATOM 0 H VAL A 36 0.046 -6.745 3.891 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.910 -9.272 2.854 1.00 0.00 H new ATOM 0 HB VAL A 36 1.422 -7.453 2.141 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.752 -8.882 0.165 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.046 -9.769 1.680 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.527 -10.015 0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.113 -7.035 0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.181 -8.089 0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.785 -6.575 1.564 1.00 0.00 H new ATOM 531 N ARG A 37 1.826 -9.002 4.665 1.00 0.00 N ATOM 532 CA ARG A 37 2.821 -9.756 5.418 1.00 0.00 C ATOM 533 C ARG A 37 2.209 -10.349 6.684 1.00 0.00 C ATOM 534 O ARG A 37 2.705 -11.341 7.218 1.00 0.00 O ATOM 535 CB ARG A 37 4.004 -8.857 5.783 1.00 0.00 C ATOM 536 CG ARG A 37 3.717 -7.912 6.939 1.00 0.00 C ATOM 537 CD ARG A 37 4.930 -7.060 7.276 1.00 0.00 C ATOM 538 NE ARG A 37 4.968 -6.697 8.690 1.00 0.00 N ATOM 539 CZ ARG A 37 5.218 -7.564 9.665 1.00 0.00 C ATOM 540 NH1 ARG A 37 5.450 -8.838 9.380 1.00 0.00 N ATOM 541 NH2 ARG A 37 5.235 -7.157 10.928 1.00 0.00 N ATOM 0 H ARG A 37 1.859 -7.994 4.814 1.00 0.00 H new ATOM 0 HA ARG A 37 3.175 -10.573 4.789 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.859 -9.482 6.040 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.288 -8.272 4.908 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.877 -7.266 6.683 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.420 -8.488 7.816 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.838 -7.604 7.017 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.917 -6.154 6.669 1.00 0.00 H new ATOM 0 HE ARG A 37 4.793 -5.724 8.943 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.437 -9.154 8.410 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.642 -9.502 10.130 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.056 -6.178 11.151 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.427 -7.823 11.676 1.00 0.00 H new ATOM 555 N MET A 38 1.130 -9.735 7.158 1.00 0.00 N ATOM 556 CA MET A 38 0.451 -10.203 8.361 1.00 0.00 C ATOM 557 C MET A 38 -0.359 -11.463 8.072 1.00 0.00 C ATOM 558 O MET A 38 -0.153 -12.502 8.699 1.00 0.00 O ATOM 559 CB MET A 38 -0.464 -9.109 8.914 1.00 0.00 C ATOM 560 CG MET A 38 -1.366 -9.585 10.041 1.00 0.00 C ATOM 561 SD MET A 38 -1.395 -8.443 11.436 1.00 0.00 S ATOM 562 CE MET A 38 -3.116 -7.946 11.433 1.00 0.00 C ATOM 0 H MET A 38 0.707 -8.913 6.728 1.00 0.00 H new ATOM 0 HA MET A 38 1.209 -10.443 9.107 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.148 -8.282 9.274 1.00 0.00 H new ATOM 0 HB3 MET A 38 -1.082 -8.720 8.105 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.379 -9.714 9.661 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.028 -10.563 10.384 1.00 0.00 H new ATOM 0 HE1 MET A 38 -3.403 -7.623 12.434 1.00 0.00 H new ATOM 0 HE2 MET A 38 -3.256 -7.123 10.732 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.738 -8.789 11.131 1.00 0.00 H new ATOM 572 N ILE A 39 -1.281 -11.363 7.120 1.00 0.00 N ATOM 573 CA ILE A 39 -2.121 -12.495 6.749 1.00 0.00 C ATOM 574 C ILE A 39 -1.276 -13.715 6.400 1.00 0.00 C ATOM 575 O ILE A 39 -1.648 -14.847 6.707 1.00 0.00 O ATOM 576 CB ILE A 39 -3.029 -12.153 5.552 1.00 0.00 C ATOM 577 CG1 ILE A 39 -3.918 -10.953 5.884 1.00 0.00 C ATOM 578 CG2 ILE A 39 -3.877 -13.357 5.170 1.00 0.00 C ATOM 579 CD1 ILE A 39 -4.580 -10.337 4.671 1.00 0.00 C ATOM 0 H ILE A 39 -1.465 -10.510 6.592 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.744 -12.723 7.614 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.400 -11.891 4.701 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.689 -11.266 6.589 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.317 -10.194 6.385 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.513 -13.100 4.323 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.227 -14.188 4.896 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.500 -13.647 6.016 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.195 -9.492 4.982 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.815 -9.993 3.975 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.208 -11.082 4.182 1.00 0.00 H new ATOM 591 N GLU A 40 -0.137 -13.476 5.757 1.00 0.00 N ATOM 592 CA GLU A 40 0.761 -14.556 5.368 1.00 0.00 C ATOM 593 C GLU A 40 1.536 -15.081 6.573 1.00 0.00 C ATOM 594 O GLU A 40 1.959 -16.237 6.597 1.00 0.00 O ATOM 595 CB GLU A 40 1.736 -14.076 4.291 1.00 0.00 C ATOM 596 CG GLU A 40 1.112 -13.967 2.910 1.00 0.00 C ATOM 597 CD GLU A 40 1.756 -14.902 1.904 1.00 0.00 C ATOM 598 OE1 GLU A 40 2.810 -14.534 1.343 1.00 0.00 O ATOM 599 OE2 GLU A 40 1.206 -16.000 1.678 1.00 0.00 O ATOM 0 H GLU A 40 0.185 -12.544 5.495 1.00 0.00 H new ATOM 0 HA GLU A 40 0.156 -15.368 4.965 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.132 -13.102 4.579 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.581 -14.763 4.245 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.047 -14.190 2.978 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.201 -12.940 2.555 1.00 0.00 H new ATOM 606 N SER A 41 1.717 -14.223 7.572 1.00 0.00 N ATOM 607 CA SER A 41 2.444 -14.597 8.779 1.00 0.00 C ATOM 608 C SER A 41 1.527 -15.312 9.767 1.00 0.00 C ATOM 609 O SER A 41 1.985 -16.081 10.612 1.00 0.00 O ATOM 610 CB SER A 41 3.055 -13.359 9.437 1.00 0.00 C ATOM 611 OG SER A 41 3.696 -13.692 10.656 1.00 0.00 O ATOM 0 H SER A 41 1.370 -13.264 7.569 1.00 0.00 H new ATOM 0 HA SER A 41 3.244 -15.280 8.493 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.774 -12.900 8.758 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.275 -12.620 9.623 1.00 0.00 H new ATOM 0 HG SER A 41 4.079 -12.883 11.056 1.00 0.00 H new ATOM 617 N ARG A 42 0.228 -15.051 9.653 1.00 0.00 N ATOM 618 CA ARG A 42 -0.755 -15.667 10.536 1.00 0.00 C ATOM 619 C ARG A 42 -1.194 -17.025 9.997 1.00 0.00 C ATOM 620 O ARG A 42 -1.184 -18.022 10.718 1.00 0.00 O ATOM 621 CB ARG A 42 -1.971 -14.753 10.697 1.00 0.00 C ATOM 622 CG ARG A 42 -1.632 -13.382 11.261 1.00 0.00 C ATOM 623 CD ARG A 42 -1.638 -13.388 12.782 1.00 0.00 C ATOM 624 NE ARG A 42 -0.531 -12.614 13.337 1.00 0.00 N ATOM 625 CZ ARG A 42 -0.279 -12.522 14.638 1.00 0.00 C ATOM 626 NH1 ARG A 42 -1.051 -13.152 15.513 1.00 0.00 N ATOM 627 NH2 ARG A 42 0.747 -11.798 15.066 1.00 0.00 N ATOM 0 H ARG A 42 -0.167 -14.418 8.958 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.289 -15.815 11.510 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.452 -14.629 9.727 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.695 -15.237 11.352 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.651 -13.072 10.901 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.352 -12.649 10.896 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.582 -12.980 13.142 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.578 -14.416 13.141 1.00 0.00 H new ATOM 0 HE ARG A 42 0.082 -12.117 12.691 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.841 -13.709 15.188 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.855 -13.079 16.511 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.343 -11.312 14.396 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.940 -11.728 16.065 1.00 0.00 H new ATOM 641 N GLN A 43 -1.580 -17.054 8.725 1.00 0.00 N ATOM 642 CA GLN A 43 -2.024 -18.290 8.090 1.00 0.00 C ATOM 643 C GLN A 43 -0.994 -19.399 8.277 1.00 0.00 C ATOM 644 O GLN A 43 -1.340 -20.535 8.599 1.00 0.00 O ATOM 645 CB GLN A 43 -2.279 -18.059 6.600 1.00 0.00 C ATOM 646 CG GLN A 43 -3.754 -18.032 6.232 1.00 0.00 C ATOM 647 CD GLN A 43 -4.118 -19.087 5.206 1.00 0.00 C ATOM 648 OE1 GLN A 43 -4.851 -20.032 5.503 1.00 0.00 O ATOM 649 NE2 GLN A 43 -3.608 -18.933 3.990 1.00 0.00 N ATOM 0 H GLN A 43 -1.594 -16.237 8.115 1.00 0.00 H new ATOM 0 HA GLN A 43 -2.954 -18.600 8.566 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.822 -17.115 6.304 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.785 -18.845 6.029 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -4.352 -18.183 7.131 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.009 -17.047 5.841 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -3.005 -18.136 3.787 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.819 -19.612 3.259 1.00 0.00 H new ATOM 658 N LYS A 44 0.275 -19.061 8.071 1.00 0.00 N ATOM 659 CA LYS A 44 1.357 -20.027 8.217 1.00 0.00 C ATOM 660 C LYS A 44 1.337 -20.662 9.604 1.00 0.00 C ATOM 661 O LYS A 44 1.816 -21.780 9.792 1.00 0.00 O ATOM 662 CB LYS A 44 2.708 -19.351 7.974 1.00 0.00 C ATOM 663 CG LYS A 44 3.035 -18.264 8.984 1.00 0.00 C ATOM 664 CD LYS A 44 4.298 -18.589 9.764 1.00 0.00 C ATOM 665 CE LYS A 44 5.530 -17.992 9.103 1.00 0.00 C ATOM 666 NZ LYS A 44 6.751 -18.177 9.935 1.00 0.00 N ATOM 0 H LYS A 44 0.579 -18.125 7.802 1.00 0.00 H new ATOM 0 HA LYS A 44 1.211 -20.812 7.475 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.493 -20.107 8.000 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.714 -18.919 6.973 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.160 -17.312 8.468 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.200 -18.145 9.675 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.208 -18.206 10.781 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.412 -19.670 9.839 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.681 -18.457 8.129 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.368 -16.929 8.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.569 -17.756 9.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.618 -17.712 10.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.920 -19.193 10.082 1.00 0.00 H new ATOM 680 N ARG A 45 0.778 -19.942 10.571 1.00 0.00 N ATOM 681 CA ARG A 45 0.695 -20.435 11.940 1.00 0.00 C ATOM 682 C ARG A 45 -0.747 -20.769 12.312 1.00 0.00 C ATOM 683 O ARG A 45 -1.114 -20.763 13.487 1.00 0.00 O ATOM 684 CB ARG A 45 1.257 -19.398 12.914 1.00 0.00 C ATOM 685 CG ARG A 45 2.759 -19.199 12.793 1.00 0.00 C ATOM 686 CD ARG A 45 3.468 -19.499 14.104 1.00 0.00 C ATOM 687 NE ARG A 45 4.754 -20.158 13.893 1.00 0.00 N ATOM 688 CZ ARG A 45 4.877 -21.400 13.438 1.00 0.00 C ATOM 689 NH1 ARG A 45 3.798 -22.114 13.148 1.00 0.00 N ATOM 690 NH2 ARG A 45 6.082 -21.930 13.272 1.00 0.00 N ATOM 0 H ARG A 45 0.376 -19.015 10.431 1.00 0.00 H new ATOM 0 HA ARG A 45 1.290 -21.346 12.007 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.758 -18.444 12.744 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.021 -19.704 13.933 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.151 -19.847 12.009 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.968 -18.173 12.492 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.623 -18.570 14.653 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.833 -20.133 14.723 1.00 0.00 H new ATOM 0 HE ARG A 45 5.604 -19.636 14.107 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.870 -21.710 13.274 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.896 -23.067 12.799 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.914 -21.384 13.494 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.176 -22.884 12.923 1.00 0.00 H new ATOM 704 N LYS A 46 -1.560 -21.060 11.302 1.00 0.00 N ATOM 705 CA LYS A 46 -2.962 -21.397 11.521 1.00 0.00 C ATOM 706 C LYS A 46 -3.648 -20.339 12.378 1.00 0.00 C ATOM 707 O LYS A 46 -4.584 -20.638 13.120 1.00 0.00 O ATOM 708 CB LYS A 46 -3.079 -22.768 12.192 1.00 0.00 C ATOM 709 CG LYS A 46 -4.040 -23.709 11.487 1.00 0.00 C ATOM 710 CD LYS A 46 -4.007 -25.100 12.099 1.00 0.00 C ATOM 711 CE LYS A 46 -5.064 -25.257 13.181 1.00 0.00 C ATOM 712 NZ LYS A 46 -5.251 -26.682 13.571 1.00 0.00 N ATOM 0 H LYS A 46 -1.272 -21.069 10.324 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.458 -21.431 10.551 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.093 -23.230 12.230 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.407 -22.632 13.223 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.052 -23.308 11.546 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.782 -23.769 10.430 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.168 -25.845 11.320 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.020 -25.289 12.522 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.776 -24.676 14.057 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.011 -24.850 12.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.979 -26.747 14.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.550 -27.233 12.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.354 -27.063 13.934 1.00 0.00 H new ATOM 726 N LYS A 47 -3.179 -19.101 12.270 1.00 0.00 N ATOM 727 CA LYS A 47 -3.749 -17.997 13.033 1.00 0.00 C ATOM 728 C LYS A 47 -4.776 -17.234 12.202 1.00 0.00 C ATOM 729 O LYS A 47 -5.085 -17.617 11.074 1.00 0.00 O ATOM 730 CB LYS A 47 -2.643 -17.045 13.496 1.00 0.00 C ATOM 731 CG LYS A 47 -2.445 -17.028 15.002 1.00 0.00 C ATOM 732 CD LYS A 47 -1.203 -16.246 15.392 1.00 0.00 C ATOM 733 CE LYS A 47 -0.060 -17.172 15.778 1.00 0.00 C ATOM 734 NZ LYS A 47 -0.291 -17.817 17.100 1.00 0.00 N ATOM 0 H LYS A 47 -2.405 -18.837 11.661 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.251 -18.413 13.906 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.706 -17.331 13.018 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.879 -16.036 13.158 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.319 -16.586 15.480 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.363 -18.050 15.371 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.894 -15.613 14.560 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.435 -15.585 16.227 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.058 -17.941 15.014 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.871 -16.606 15.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.586 -18.275 17.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.579 -17.096 17.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.042 -18.531 17.011 1.00 0.00 H new ATOM 748 N LYS A 48 -5.301 -16.152 12.767 1.00 0.00 N ATOM 749 CA LYS A 48 -6.292 -15.333 12.078 1.00 0.00 C ATOM 750 C LYS A 48 -5.869 -13.868 12.061 1.00 0.00 C ATOM 751 O LYS A 48 -5.105 -13.422 12.917 1.00 0.00 O ATOM 752 CB LYS A 48 -7.658 -15.473 12.753 1.00 0.00 C ATOM 753 CG LYS A 48 -7.765 -14.726 14.071 1.00 0.00 C ATOM 754 CD LYS A 48 -8.503 -15.544 15.117 1.00 0.00 C ATOM 755 CE LYS A 48 -7.614 -16.627 15.709 1.00 0.00 C ATOM 756 NZ LYS A 48 -8.405 -17.790 16.196 1.00 0.00 N ATOM 0 H LYS A 48 -5.057 -15.822 13.701 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.365 -15.684 11.049 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.428 -15.107 12.074 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.862 -16.530 12.926 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.767 -14.484 14.435 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.285 -13.781 13.914 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.855 -14.887 15.912 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.384 -16.001 14.667 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.901 -16.963 14.956 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.035 -16.211 16.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.762 -18.506 16.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.068 -17.475 16.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.938 -18.203 15.404 1.00 0.00 H new ATOM 770 N ALA A 49 -6.373 -13.123 11.082 1.00 0.00 N ATOM 771 CA ALA A 49 -6.050 -11.707 10.957 1.00 0.00 C ATOM 772 C ALA A 49 -7.083 -10.843 11.672 1.00 0.00 C ATOM 773 O ALA A 49 -8.238 -10.763 11.252 1.00 0.00 O ATOM 774 CB ALA A 49 -5.956 -11.315 9.490 1.00 0.00 C ATOM 0 H ALA A 49 -7.006 -13.476 10.365 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.083 -11.537 11.430 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.714 -10.255 9.411 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.176 -11.902 9.006 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.911 -11.507 9.000 1.00 0.00 H new ATOM 780 N TYR A 50 -6.661 -10.197 12.753 1.00 0.00 N ATOM 781 CA TYR A 50 -7.552 -9.341 13.529 1.00 0.00 C ATOM 782 C TYR A 50 -7.163 -7.874 13.378 1.00 0.00 C ATOM 783 O TYR A 50 -6.019 -7.551 13.058 1.00 0.00 O ATOM 784 CB TYR A 50 -7.519 -9.741 15.005 1.00 0.00 C ATOM 785 CG TYR A 50 -6.124 -9.975 15.538 1.00 0.00 C ATOM 786 CD1 TYR A 50 -5.525 -11.225 15.445 1.00 0.00 C ATOM 787 CD2 TYR A 50 -5.406 -8.948 16.137 1.00 0.00 C ATOM 788 CE1 TYR A 50 -4.251 -11.445 15.931 1.00 0.00 C ATOM 789 CE2 TYR A 50 -4.131 -9.157 16.625 1.00 0.00 C ATOM 790 CZ TYR A 50 -3.558 -10.408 16.520 1.00 0.00 C ATOM 791 OH TYR A 50 -2.288 -10.621 17.006 1.00 0.00 O ATOM 0 H TYR A 50 -5.708 -10.249 13.112 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.565 -9.471 13.148 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -7.998 -8.960 15.595 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.107 -10.649 15.140 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.065 -12.039 14.985 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.853 -7.968 16.223 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.800 -12.423 15.850 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.586 -8.347 17.086 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.940 -9.788 17.388 1.00 0.00 H new ATOM 801 N CYS A 51 -8.125 -6.987 13.613 1.00 0.00 N ATOM 802 CA CYS A 51 -7.887 -5.553 13.505 1.00 0.00 C ATOM 803 C CYS A 51 -6.656 -5.144 14.309 1.00 0.00 C ATOM 804 O CYS A 51 -6.690 -5.046 15.536 1.00 0.00 O ATOM 805 CB CYS A 51 -9.110 -4.774 13.991 1.00 0.00 C ATOM 806 SG CYS A 51 -9.979 -3.858 12.678 1.00 0.00 S ATOM 0 H CYS A 51 -9.077 -7.237 13.880 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.708 -5.317 12.456 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -9.808 -5.469 14.457 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -8.796 -4.071 14.763 1.00 0.00 H new ATOM 811 N PRO A 52 -5.543 -4.898 13.602 1.00 0.00 N ATOM 812 CA PRO A 52 -4.281 -4.495 14.229 1.00 0.00 C ATOM 813 C PRO A 52 -4.344 -3.084 14.805 1.00 0.00 C ATOM 814 O PRO A 52 -3.429 -2.648 15.502 1.00 0.00 O ATOM 815 CB PRO A 52 -3.276 -4.556 13.076 1.00 0.00 C ATOM 816 CG PRO A 52 -4.097 -4.363 11.848 1.00 0.00 C ATOM 817 CD PRO A 52 -5.431 -4.994 12.137 1.00 0.00 C ATOM 0 HA PRO A 52 -4.023 -5.136 15.072 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.517 -3.780 13.171 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.753 -5.512 13.057 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.209 -3.304 11.616 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.623 -4.830 10.985 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.242 -4.466 11.636 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.468 -6.029 11.798 1.00 0.00 H new ATOM 825 N GLN A 53 -5.430 -2.377 14.509 1.00 0.00 N ATOM 826 CA GLN A 53 -5.612 -1.016 14.998 1.00 0.00 C ATOM 827 C GLN A 53 -5.857 -1.006 16.503 1.00 0.00 C ATOM 828 O GLN A 53 -6.955 -1.319 16.965 1.00 0.00 O ATOM 829 CB GLN A 53 -6.780 -0.343 14.275 1.00 0.00 C ATOM 830 CG GLN A 53 -6.945 1.127 14.623 1.00 0.00 C ATOM 831 CD GLN A 53 -5.623 1.866 14.680 1.00 0.00 C ATOM 832 OE1 GLN A 53 -5.256 2.428 15.712 1.00 0.00 O ATOM 833 NE2 GLN A 53 -4.898 1.869 13.567 1.00 0.00 N ATOM 0 H GLN A 53 -6.197 -2.724 13.933 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.698 -0.459 14.793 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.634 -0.439 13.199 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.701 -0.871 14.520 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.590 1.601 13.883 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.447 1.214 15.587 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.240 1.390 12.734 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.999 2.350 13.545 1.00 0.00 H new ATOM 842 N ILE A 54 -4.828 -0.646 17.263 1.00 0.00 N ATOM 843 CA ILE A 54 -4.933 -0.595 18.716 1.00 0.00 C ATOM 844 C ILE A 54 -6.142 0.225 19.152 1.00 0.00 C ATOM 845 O ILE A 54 -6.160 1.447 19.012 1.00 0.00 O ATOM 846 CB ILE A 54 -3.664 0.005 19.351 1.00 0.00 C ATOM 847 CG1 ILE A 54 -2.420 -0.728 18.847 1.00 0.00 C ATOM 848 CG2 ILE A 54 -3.748 -0.064 20.869 1.00 0.00 C ATOM 849 CD1 ILE A 54 -1.639 0.049 17.810 1.00 0.00 C ATOM 0 H ILE A 54 -3.912 -0.385 16.897 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.051 -1.623 19.060 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.589 1.052 19.058 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.768 -0.945 19.693 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.720 -1.686 18.422 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.844 0.364 21.303 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.616 0.499 21.211 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.844 -1.104 21.181 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.771 -0.531 17.498 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.275 0.243 16.946 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.308 0.996 18.237 1.00 0.00 H new ATOM 861 N GLY A 55 -7.153 -0.457 19.683 1.00 0.00 N ATOM 862 CA GLY A 55 -8.352 0.225 20.133 1.00 0.00 C ATOM 863 C GLY A 55 -9.617 -0.404 19.583 1.00 0.00 C ATOM 864 O GLY A 55 -10.708 -0.186 20.111 1.00 0.00 O ATOM 0 H GLY A 55 -7.163 -1.469 19.809 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.387 0.211 21.222 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.308 1.271 19.829 1.00 0.00 H new ATOM 868 N CYS A 56 -9.473 -1.185 18.518 1.00 0.00 N ATOM 869 CA CYS A 56 -10.612 -1.845 17.893 1.00 0.00 C ATOM 870 C CYS A 56 -10.901 -3.184 18.567 1.00 0.00 C ATOM 871 O CYS A 56 -10.033 -3.763 19.219 1.00 0.00 O ATOM 872 CB CYS A 56 -10.350 -2.059 16.401 1.00 0.00 C ATOM 873 SG CYS A 56 -11.855 -2.340 15.414 1.00 0.00 S ATOM 0 H CYS A 56 -8.577 -1.376 18.069 1.00 0.00 H new ATOM 0 HA CYS A 56 -11.483 -1.201 18.013 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -9.827 -1.188 16.006 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -9.684 -2.913 16.279 1.00 0.00 H new ATOM 878 N SER A 57 -12.128 -3.669 18.404 1.00 0.00 N ATOM 879 CA SER A 57 -12.533 -4.938 18.998 1.00 0.00 C ATOM 880 C SER A 57 -12.646 -6.025 17.934 1.00 0.00 C ATOM 881 O SER A 57 -12.504 -7.213 18.227 1.00 0.00 O ATOM 882 CB SER A 57 -13.870 -4.780 19.726 1.00 0.00 C ATOM 883 OG SER A 57 -13.861 -5.470 20.964 1.00 0.00 O ATOM 0 H SER A 57 -12.858 -3.203 17.866 1.00 0.00 H new ATOM 0 HA SER A 57 -11.769 -5.235 19.716 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.072 -3.723 19.897 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.676 -5.161 19.099 1.00 0.00 H new ATOM 0 HG SER A 57 -14.725 -5.352 21.410 1.00 0.00 H new ATOM 889 N HIS A 58 -12.902 -5.610 16.698 1.00 0.00 N ATOM 890 CA HIS A 58 -13.034 -6.548 15.589 1.00 0.00 C ATOM 891 C HIS A 58 -11.797 -7.435 15.477 1.00 0.00 C ATOM 892 O HIS A 58 -10.700 -7.041 15.873 1.00 0.00 O ATOM 893 CB HIS A 58 -13.254 -5.793 14.278 1.00 0.00 C ATOM 894 CG HIS A 58 -13.813 -6.646 13.181 1.00 0.00 C ATOM 895 ND1 HIS A 58 -15.022 -7.303 13.281 1.00 0.00 N ATOM 896 CD2 HIS A 58 -13.324 -6.947 11.956 1.00 0.00 C ATOM 897 CE1 HIS A 58 -15.250 -7.973 12.165 1.00 0.00 C ATOM 898 NE2 HIS A 58 -14.235 -7.773 11.344 1.00 0.00 N ATOM 0 H HIS A 58 -13.022 -4.631 16.439 1.00 0.00 H new ATOM 0 HA HIS A 58 -13.898 -7.183 15.784 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -13.931 -4.958 14.459 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -12.305 -5.369 13.949 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -15.643 -7.276 14.090 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -12.390 -6.602 11.537 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -16.119 -8.581 11.959 1.00 0.00 H new ATOM 906 N THR A 59 -11.982 -8.635 14.936 1.00 0.00 N ATOM 907 CA THR A 59 -10.883 -9.578 14.774 1.00 0.00 C ATOM 908 C THR A 59 -11.122 -10.503 13.586 1.00 0.00 C ATOM 909 O THR A 59 -10.785 -11.686 13.631 1.00 0.00 O ATOM 910 CB THR A 59 -10.683 -10.431 16.042 1.00 0.00 C ATOM 911 OG1 THR A 59 -11.908 -11.083 16.392 1.00 0.00 O ATOM 912 CG2 THR A 59 -10.210 -9.570 17.204 1.00 0.00 C ATOM 0 H THR A 59 -12.883 -8.977 14.602 1.00 0.00 H new ATOM 0 HA THR A 59 -9.984 -8.988 14.596 1.00 0.00 H new ATOM 0 HB THR A 59 -9.920 -11.181 15.832 1.00 0.00 H new ATOM 0 HG1 THR A 59 -11.772 -11.624 17.198 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.076 -10.194 18.088 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.262 -9.098 16.945 1.00 0.00 H new ATOM 0 HG23 THR A 59 -10.953 -8.800 17.413 1.00 0.00 H new ATOM 920 N ASP A 60 -11.703 -9.956 12.525 1.00 0.00 N ATOM 921 CA ASP A 60 -11.986 -10.732 11.323 1.00 0.00 C ATOM 922 C ASP A 60 -11.661 -9.927 10.068 1.00 0.00 C ATOM 923 O ASP A 60 -12.450 -9.085 9.637 1.00 0.00 O ATOM 924 CB ASP A 60 -13.453 -11.163 11.302 1.00 0.00 C ATOM 925 CG ASP A 60 -13.762 -12.215 12.349 1.00 0.00 C ATOM 926 OD1 ASP A 60 -13.435 -13.398 12.116 1.00 0.00 O ATOM 927 OD2 ASP A 60 -14.330 -11.856 13.401 1.00 0.00 O ATOM 0 H ASP A 60 -11.988 -8.978 12.472 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.355 -11.621 11.337 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.087 -10.292 11.468 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.700 -11.553 10.315 1.00 0.00 H new ATOM 932 N ILE A 61 -10.496 -10.192 9.487 1.00 0.00 N ATOM 933 CA ILE A 61 -10.068 -9.493 8.282 1.00 0.00 C ATOM 934 C ILE A 61 -9.688 -10.477 7.180 1.00 0.00 C ATOM 935 O ILE A 61 -8.954 -11.436 7.417 1.00 0.00 O ATOM 936 CB ILE A 61 -8.869 -8.568 8.563 1.00 0.00 C ATOM 937 CG1 ILE A 61 -9.207 -7.586 9.687 1.00 0.00 C ATOM 938 CG2 ILE A 61 -8.469 -7.819 7.301 1.00 0.00 C ATOM 939 CD1 ILE A 61 -8.009 -6.818 10.199 1.00 0.00 C ATOM 0 H ILE A 61 -9.832 -10.885 9.831 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.913 -8.889 7.952 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.025 -9.180 8.881 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -9.955 -6.879 9.328 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.657 -8.134 10.514 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.620 -7.170 7.517 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.191 -8.534 6.526 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.308 -7.216 6.954 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.323 -6.141 10.994 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.268 -7.516 10.589 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.571 -6.242 9.384 1.00 0.00 H new ATOM 951 N ARG A 62 -10.192 -10.231 5.975 1.00 0.00 N ATOM 952 CA ARG A 62 -9.906 -11.095 4.837 1.00 0.00 C ATOM 953 C ARG A 62 -9.300 -10.296 3.687 1.00 0.00 C ATOM 954 O ARG A 62 -9.688 -9.155 3.437 1.00 0.00 O ATOM 955 CB ARG A 62 -11.182 -11.797 4.368 1.00 0.00 C ATOM 956 CG ARG A 62 -11.865 -12.610 5.456 1.00 0.00 C ATOM 957 CD ARG A 62 -12.088 -14.049 5.018 1.00 0.00 C ATOM 958 NE ARG A 62 -10.829 -14.769 4.842 1.00 0.00 N ATOM 959 CZ ARG A 62 -10.091 -15.218 5.851 1.00 0.00 C ATOM 960 NH1 ARG A 62 -10.484 -15.023 7.102 1.00 0.00 N ATOM 961 NH2 ARG A 62 -8.958 -15.864 5.609 1.00 0.00 N ATOM 0 H ARG A 62 -10.800 -9.440 5.762 1.00 0.00 H new ATOM 0 HA ARG A 62 -9.183 -11.846 5.156 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -11.881 -11.050 3.992 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -10.939 -12.455 3.533 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -11.257 -12.594 6.360 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -12.822 -12.152 5.707 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -12.699 -14.563 5.760 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -12.646 -14.061 4.082 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.498 -14.936 3.892 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -11.355 -14.527 7.292 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.915 -15.369 7.875 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.653 -16.016 4.648 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.392 -16.209 6.384 1.00 0.00 H new ATOM 975 N LYS A 63 -8.346 -10.904 2.989 1.00 0.00 N ATOM 976 CA LYS A 63 -7.687 -10.251 1.865 1.00 0.00 C ATOM 977 C LYS A 63 -8.705 -9.800 0.823 1.00 0.00 C ATOM 978 O LYS A 63 -8.458 -8.864 0.063 1.00 0.00 O ATOM 979 CB LYS A 63 -6.670 -11.198 1.223 1.00 0.00 C ATOM 980 CG LYS A 63 -5.450 -10.490 0.660 1.00 0.00 C ATOM 981 CD LYS A 63 -4.724 -11.354 -0.358 1.00 0.00 C ATOM 982 CE LYS A 63 -3.712 -12.271 0.311 1.00 0.00 C ATOM 983 NZ LYS A 63 -2.779 -12.882 -0.677 1.00 0.00 N ATOM 0 H LYS A 63 -8.012 -11.848 3.183 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.167 -9.371 2.243 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.346 -11.927 1.966 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.159 -11.754 0.423 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.755 -9.554 0.192 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.770 -10.234 1.472 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.448 -11.952 -0.912 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.216 -10.717 -1.082 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.141 -11.706 1.048 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.237 -13.059 0.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.105 -13.500 -0.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.321 -13.442 -1.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.259 -12.131 -1.174 1.00 0.00 H new ATOM 997 N SER A 64 -9.852 -10.472 0.794 1.00 0.00 N ATOM 998 CA SER A 64 -10.908 -10.141 -0.156 1.00 0.00 C ATOM 999 C SER A 64 -11.569 -8.814 0.205 1.00 0.00 C ATOM 1000 O SER A 64 -12.140 -8.139 -0.651 1.00 0.00 O ATOM 1001 CB SER A 64 -11.958 -11.254 -0.192 1.00 0.00 C ATOM 1002 OG SER A 64 -13.064 -10.886 -0.997 1.00 0.00 O ATOM 0 H SER A 64 -10.073 -11.249 1.417 1.00 0.00 H new ATOM 0 HA SER A 64 -10.457 -10.045 -1.143 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.510 -12.169 -0.580 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.298 -11.471 0.821 1.00 0.00 H new ATOM 0 HG SER A 64 -13.720 -11.614 -1.005 1.00 0.00 H new ATOM 1008 N ASP A 65 -11.487 -8.448 1.480 1.00 0.00 N ATOM 1009 CA ASP A 65 -12.075 -7.202 1.956 1.00 0.00 C ATOM 1010 C ASP A 65 -11.034 -6.087 1.989 1.00 0.00 C ATOM 1011 O ASP A 65 -11.158 -5.130 2.755 1.00 0.00 O ATOM 1012 CB ASP A 65 -12.676 -7.396 3.349 1.00 0.00 C ATOM 1013 CG ASP A 65 -13.983 -8.164 3.313 1.00 0.00 C ATOM 1014 OD1 ASP A 65 -14.927 -7.700 2.640 1.00 0.00 O ATOM 1015 OD2 ASP A 65 -14.061 -9.231 3.958 1.00 0.00 O ATOM 0 H ASP A 65 -11.019 -8.997 2.202 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.867 -6.915 1.264 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -11.963 -7.928 3.979 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.843 -6.422 3.809 1.00 0.00 H new ATOM 1020 N LEU A 66 -10.009 -6.217 1.154 1.00 0.00 N ATOM 1021 CA LEU A 66 -8.945 -5.221 1.088 1.00 0.00 C ATOM 1022 C LEU A 66 -9.067 -4.378 -0.178 1.00 0.00 C ATOM 1023 O LEU A 66 -9.002 -4.900 -1.291 1.00 0.00 O ATOM 1024 CB LEU A 66 -7.577 -5.904 1.130 1.00 0.00 C ATOM 1025 CG LEU A 66 -7.238 -6.647 2.423 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -5.810 -7.170 2.379 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -7.438 -5.740 3.628 1.00 0.00 C ATOM 0 H LEU A 66 -9.892 -7.002 0.513 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.042 -4.563 1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.521 -6.611 0.302 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -6.810 -5.149 0.957 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.913 -7.498 2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.586 -7.696 3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.699 -7.855 1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.120 -6.335 2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.192 -6.286 4.539 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.788 -4.869 3.540 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.477 -5.414 3.670 1.00 0.00 H new ATOM 1039 N ILE A 67 -9.240 -3.073 0.001 1.00 0.00 N ATOM 1040 CA ILE A 67 -9.367 -2.158 -1.126 1.00 0.00 C ATOM 1041 C ILE A 67 -8.292 -1.077 -1.080 1.00 0.00 C ATOM 1042 O ILE A 67 -7.653 -0.867 -0.050 1.00 0.00 O ATOM 1043 CB ILE A 67 -10.753 -1.487 -1.153 1.00 0.00 C ATOM 1044 CG1 ILE A 67 -11.086 -0.899 0.219 1.00 0.00 C ATOM 1045 CG2 ILE A 67 -11.817 -2.487 -1.580 1.00 0.00 C ATOM 1046 CD1 ILE A 67 -12.244 0.074 0.195 1.00 0.00 C ATOM 0 H ILE A 67 -9.295 -2.626 0.916 1.00 0.00 H new ATOM 0 HA ILE A 67 -9.243 -2.753 -2.031 1.00 0.00 H new ATOM 0 HB ILE A 67 -10.733 -0.675 -1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.319 -1.712 0.907 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -10.204 -0.392 0.612 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -12.791 -1.998 -1.594 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -11.585 -2.862 -2.577 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -11.839 -3.318 -0.875 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -12.424 0.451 1.202 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -12.006 0.907 -0.467 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -13.138 -0.433 -0.167 1.00 0.00 H new ATOM 1058 N GLN A 68 -8.099 -0.394 -2.204 1.00 0.00 N ATOM 1059 CA GLN A 68 -7.102 0.666 -2.292 1.00 0.00 C ATOM 1060 C GLN A 68 -7.760 2.040 -2.213 1.00 0.00 C ATOM 1061 O GLN A 68 -8.362 2.507 -3.180 1.00 0.00 O ATOM 1062 CB GLN A 68 -6.307 0.542 -3.593 1.00 0.00 C ATOM 1063 CG GLN A 68 -5.718 -0.842 -3.816 1.00 0.00 C ATOM 1064 CD GLN A 68 -4.945 -0.944 -5.115 1.00 0.00 C ATOM 1065 OE1 GLN A 68 -5.530 -0.995 -6.198 1.00 0.00 O ATOM 1066 NE2 GLN A 68 -3.621 -0.974 -5.016 1.00 0.00 N ATOM 0 H GLN A 68 -8.620 -0.556 -3.066 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.421 0.560 -1.448 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.957 0.791 -4.432 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -5.500 1.275 -3.587 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.058 -1.090 -2.985 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.521 -1.579 -3.817 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.177 -0.929 -4.099 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.048 -1.042 -5.857 1.00 0.00 H new ATOM 1075 N ASP A 69 -7.642 2.681 -1.056 1.00 0.00 N ATOM 1076 CA ASP A 69 -8.224 4.003 -0.851 1.00 0.00 C ATOM 1077 C ASP A 69 -7.443 5.066 -1.618 1.00 0.00 C ATOM 1078 O ASP A 69 -6.256 5.275 -1.371 1.00 0.00 O ATOM 1079 CB ASP A 69 -8.251 4.346 0.639 1.00 0.00 C ATOM 1080 CG ASP A 69 -9.213 5.475 0.956 1.00 0.00 C ATOM 1081 OD1 ASP A 69 -9.632 6.179 0.014 1.00 0.00 O ATOM 1082 OD2 ASP A 69 -9.547 5.652 2.145 1.00 0.00 O ATOM 0 H ASP A 69 -7.149 2.307 -0.245 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.246 3.986 -1.230 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.535 3.460 1.208 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.248 4.625 0.963 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.118 5.733 -2.549 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.486 6.772 -3.352 1.00 0.00 C ATOM 1089 C GLU A 70 -7.494 8.109 -2.615 1.00 0.00 C ATOM 1090 O GLU A 70 -6.496 8.829 -2.604 1.00 0.00 O ATOM 1091 CB GLU A 70 -8.202 6.915 -4.697 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.258 7.107 -5.871 1.00 0.00 C ATOM 1093 CD GLU A 70 -7.963 7.632 -7.107 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.060 8.211 -6.964 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -7.417 7.462 -8.218 1.00 0.00 O ATOM 0 H GLU A 70 -9.102 5.572 -2.765 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.451 6.480 -3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.810 6.027 -4.872 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.884 7.764 -4.648 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.467 7.801 -5.586 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.779 6.157 -6.107 1.00 0.00 H new ATOM 1102 N ALA A 71 -8.627 8.433 -2.002 1.00 0.00 N ATOM 1103 CA ALA A 71 -8.765 9.682 -1.262 1.00 0.00 C ATOM 1104 C ALA A 71 -7.675 9.816 -0.204 1.00 0.00 C ATOM 1105 O ALA A 71 -7.229 10.922 0.106 1.00 0.00 O ATOM 1106 CB ALA A 71 -10.141 9.765 -0.619 1.00 0.00 C ATOM 0 H ALA A 71 -9.463 7.848 -2.003 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.655 10.507 -1.966 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.230 10.702 -0.070 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.907 9.724 -1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -10.273 8.929 0.067 1.00 0.00 H new ATOM 1112 N LEU A 72 -7.250 8.685 0.347 1.00 0.00 N ATOM 1113 CA LEU A 72 -6.212 8.676 1.372 1.00 0.00 C ATOM 1114 C LEU A 72 -4.824 8.671 0.741 1.00 0.00 C ATOM 1115 O LEU A 72 -3.906 9.331 1.229 1.00 0.00 O ATOM 1116 CB LEU A 72 -6.376 7.458 2.282 1.00 0.00 C ATOM 1117 CG LEU A 72 -5.794 7.588 3.690 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -6.536 6.681 4.660 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -4.307 7.264 3.685 1.00 0.00 C ATOM 0 H LEU A 72 -7.608 7.762 0.101 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.317 9.583 1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.439 7.236 2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.910 6.601 1.796 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.919 8.619 4.020 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.108 6.787 5.657 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.589 6.960 4.686 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.443 5.645 4.333 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.910 7.362 4.695 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.158 6.243 3.334 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.786 7.955 3.022 1.00 0.00 H new ATOM 1131 N ARG A 73 -4.677 7.924 -0.348 1.00 0.00 N ATOM 1132 CA ARG A 73 -3.401 7.833 -1.047 1.00 0.00 C ATOM 1133 C ARG A 73 -2.928 9.213 -1.496 1.00 0.00 C ATOM 1134 O ARG A 73 -1.802 9.618 -1.209 1.00 0.00 O ATOM 1135 CB ARG A 73 -3.523 6.905 -2.258 1.00 0.00 C ATOM 1136 CG ARG A 73 -2.892 5.539 -2.043 1.00 0.00 C ATOM 1137 CD ARG A 73 -2.498 4.894 -3.363 1.00 0.00 C ATOM 1138 NE ARG A 73 -3.648 4.694 -4.240 1.00 0.00 N ATOM 1139 CZ ARG A 73 -3.569 4.128 -5.439 1.00 0.00 C ATOM 1140 NH1 ARG A 73 -2.399 3.708 -5.901 1.00 0.00 N ATOM 1141 NH2 ARG A 73 -4.661 3.981 -6.178 1.00 0.00 N ATOM 0 H ARG A 73 -5.427 7.373 -0.766 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.665 7.422 -0.356 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.578 6.775 -2.501 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.054 7.381 -3.119 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.011 5.639 -1.409 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.593 4.892 -1.515 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.762 5.521 -3.867 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.019 3.934 -3.169 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.563 5.006 -3.914 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.558 3.819 -5.335 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.341 3.274 -6.822 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.562 4.303 -5.826 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.599 3.546 -7.099 1.00 0.00 H new ATOM 1155 N ARG A 74 -3.797 9.930 -2.202 1.00 0.00 N ATOM 1156 CA ARG A 74 -3.467 11.263 -2.692 1.00 0.00 C ATOM 1157 C ARG A 74 -2.967 12.151 -1.557 1.00 0.00 C ATOM 1158 O ARG A 74 -2.076 12.978 -1.750 1.00 0.00 O ATOM 1159 CB ARG A 74 -4.689 11.902 -3.354 1.00 0.00 C ATOM 1160 CG ARG A 74 -5.075 11.256 -4.675 1.00 0.00 C ATOM 1161 CD ARG A 74 -6.580 11.282 -4.889 1.00 0.00 C ATOM 1162 NE ARG A 74 -6.935 11.769 -6.219 1.00 0.00 N ATOM 1163 CZ ARG A 74 -6.777 13.030 -6.607 1.00 0.00 C ATOM 1164 NH1 ARG A 74 -6.273 13.926 -5.770 1.00 0.00 N ATOM 1165 NH2 ARG A 74 -7.124 13.397 -7.834 1.00 0.00 N ATOM 0 H ARG A 74 -4.734 9.610 -2.447 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.671 11.165 -3.431 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.535 11.842 -2.669 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.489 12.960 -3.522 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.581 11.778 -5.495 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.721 10.225 -4.694 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.983 10.279 -4.751 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.043 11.918 -4.135 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.326 11.105 -6.887 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -6.005 13.648 -4.826 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.153 14.893 -6.070 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.513 12.711 -8.481 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -7.002 14.365 -8.130 1.00 0.00 H new ATOM 1179 N ALA A 75 -3.547 11.974 -0.375 1.00 0.00 N ATOM 1180 CA ALA A 75 -3.159 12.758 0.791 1.00 0.00 C ATOM 1181 C ALA A 75 -1.685 12.556 1.123 1.00 0.00 C ATOM 1182 O ALA A 75 -0.936 13.521 1.276 1.00 0.00 O ATOM 1183 CB ALA A 75 -4.026 12.391 1.987 1.00 0.00 C ATOM 0 H ALA A 75 -4.287 11.295 -0.199 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.311 13.811 0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.725 12.984 2.850 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.071 12.594 1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.903 11.332 2.214 1.00 0.00 H new ATOM 1189 N ILE A 76 -1.275 11.297 1.233 1.00 0.00 N ATOM 1190 CA ILE A 76 0.111 10.970 1.546 1.00 0.00 C ATOM 1191 C ILE A 76 1.055 11.489 0.467 1.00 0.00 C ATOM 1192 O ILE A 76 2.194 11.859 0.752 1.00 0.00 O ATOM 1193 CB ILE A 76 0.309 9.450 1.699 1.00 0.00 C ATOM 1194 CG1 ILE A 76 -0.606 8.902 2.796 1.00 0.00 C ATOM 1195 CG2 ILE A 76 1.765 9.135 2.010 1.00 0.00 C ATOM 1196 CD1 ILE A 76 -0.780 7.401 2.742 1.00 0.00 C ATOM 0 H ILE A 76 -1.882 10.487 1.110 1.00 0.00 H new ATOM 0 HA ILE A 76 0.345 11.456 2.493 1.00 0.00 H new ATOM 0 HB ILE A 76 0.045 8.967 0.758 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.199 9.178 3.769 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.584 9.376 2.713 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.890 8.057 2.115 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.397 9.496 1.198 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.053 9.626 2.939 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.440 7.082 3.548 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.216 7.119 1.783 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.190 6.918 2.855 1.00 0.00 H new ATOM 1208 N GLU A 77 0.574 11.514 -0.772 1.00 0.00 N ATOM 1209 CA GLU A 77 1.376 11.989 -1.893 1.00 0.00 C ATOM 1210 C GLU A 77 1.532 13.506 -1.846 1.00 0.00 C ATOM 1211 O GLU A 77 2.603 14.040 -2.133 1.00 0.00 O ATOM 1212 CB GLU A 77 0.736 11.572 -3.219 1.00 0.00 C ATOM 1213 CG GLU A 77 1.255 10.248 -3.755 1.00 0.00 C ATOM 1214 CD GLU A 77 2.145 10.419 -4.970 1.00 0.00 C ATOM 1215 OE1 GLU A 77 1.604 10.590 -6.083 1.00 0.00 O ATOM 1216 OE2 GLU A 77 3.383 10.382 -4.810 1.00 0.00 O ATOM 0 H GLU A 77 -0.367 11.211 -1.025 1.00 0.00 H new ATOM 0 HA GLU A 77 2.365 11.537 -1.817 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.344 11.502 -3.086 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.916 12.350 -3.960 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.812 9.736 -2.970 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.411 9.609 -4.015 1.00 0.00 H new ATOM 1223 N ASN A 78 0.455 14.195 -1.483 1.00 0.00 N ATOM 1224 CA ASN A 78 0.471 15.651 -1.400 1.00 0.00 C ATOM 1225 C ASN A 78 1.325 16.119 -0.225 1.00 0.00 C ATOM 1226 O ASN A 78 1.879 17.219 -0.246 1.00 0.00 O ATOM 1227 CB ASN A 78 -0.954 16.190 -1.255 1.00 0.00 C ATOM 1228 CG ASN A 78 -1.265 17.279 -2.263 1.00 0.00 C ATOM 1229 OD1 ASN A 78 -1.426 18.446 -1.904 1.00 0.00 O ATOM 1230 ND2 ASN A 78 -1.351 16.902 -3.534 1.00 0.00 N ATOM 0 H ASN A 78 -0.440 13.769 -1.242 1.00 0.00 H new ATOM 0 HA ASN A 78 0.907 16.038 -2.321 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.663 15.372 -1.378 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.091 16.582 -0.247 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -1.558 17.591 -4.257 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.210 15.924 -3.786 1.00 0.00 H new ATOM 1237 N HIS A 79 1.428 15.276 0.798 1.00 0.00 N ATOM 1238 CA HIS A 79 2.216 15.603 1.981 1.00 0.00 C ATOM 1239 C HIS A 79 3.697 15.321 1.742 1.00 0.00 C ATOM 1240 O HIS A 79 4.563 15.950 2.348 1.00 0.00 O ATOM 1241 CB HIS A 79 1.720 14.804 3.186 1.00 0.00 C ATOM 1242 CG HIS A 79 2.539 15.016 4.423 1.00 0.00 C ATOM 1243 ND1 HIS A 79 2.133 15.822 5.465 1.00 0.00 N ATOM 1244 CD2 HIS A 79 3.746 14.519 4.781 1.00 0.00 C ATOM 1245 CE1 HIS A 79 3.055 15.814 6.410 1.00 0.00 C ATOM 1246 NE2 HIS A 79 4.044 15.030 6.020 1.00 0.00 N ATOM 0 H HIS A 79 0.976 14.362 0.831 1.00 0.00 H new ATOM 0 HA HIS A 79 2.096 16.667 2.186 1.00 0.00 H new ATOM 0 HB2 HIS A 79 0.686 15.079 3.393 1.00 0.00 H new ATOM 0 HB3 HIS A 79 1.724 13.743 2.935 1.00 0.00 H new ATOM 0 HD2 HIS A 79 4.360 13.846 4.201 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.009 16.356 7.343 1.00 0.00 H new ATOM 0 HE2 HIS A 79 4.892 14.836 6.553 1.00 0.00 H new ATOM 1254 N ASN A 80 3.978 14.370 0.857 1.00 0.00 N ATOM 1255 CA ASN A 80 5.353 14.004 0.540 1.00 0.00 C ATOM 1256 C ASN A 80 5.932 14.932 -0.525 1.00 0.00 C ATOM 1257 O ASN A 80 7.106 15.298 -0.474 1.00 0.00 O ATOM 1258 CB ASN A 80 5.418 12.553 0.058 1.00 0.00 C ATOM 1259 CG ASN A 80 5.932 11.611 1.130 1.00 0.00 C ATOM 1260 OD1 ASN A 80 7.066 11.137 1.064 1.00 0.00 O ATOM 1261 ND2 ASN A 80 5.096 11.334 2.124 1.00 0.00 N ATOM 0 H ASN A 80 3.272 13.839 0.347 1.00 0.00 H new ATOM 0 HA ASN A 80 5.948 14.106 1.447 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.425 12.233 -0.258 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.066 12.492 -0.817 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.385 10.705 2.873 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.165 11.750 2.138 1.00 0.00 H new ATOM 1268 N LYS A 81 5.098 15.309 -1.489 1.00 0.00 N ATOM 1269 CA LYS A 81 5.524 16.195 -2.565 1.00 0.00 C ATOM 1270 C LYS A 81 5.797 17.600 -2.038 1.00 0.00 C ATOM 1271 O LYS A 81 6.592 18.346 -2.610 1.00 0.00 O ATOM 1272 CB LYS A 81 4.458 16.249 -3.662 1.00 0.00 C ATOM 1273 CG LYS A 81 3.221 17.038 -3.269 1.00 0.00 C ATOM 1274 CD LYS A 81 3.237 18.434 -3.868 1.00 0.00 C ATOM 1275 CE LYS A 81 2.403 18.506 -5.138 1.00 0.00 C ATOM 1276 NZ LYS A 81 2.429 19.866 -5.743 1.00 0.00 N ATOM 0 H LYS A 81 4.123 15.014 -1.546 1.00 0.00 H new ATOM 0 HA LYS A 81 6.448 15.797 -2.984 1.00 0.00 H new ATOM 0 HB2 LYS A 81 4.892 16.693 -4.558 1.00 0.00 H new ATOM 0 HB3 LYS A 81 4.163 15.232 -3.921 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.329 16.508 -3.603 1.00 0.00 H new ATOM 0 HG3 LYS A 81 3.163 17.108 -2.183 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.854 19.148 -3.139 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.264 18.724 -4.089 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.778 17.780 -5.860 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.373 18.229 -4.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.849 19.873 -6.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.048 20.555 -5.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.409 20.121 -5.982 1.00 0.00 H new ATOM 1290 N LYS A 82 5.134 17.955 -0.942 1.00 0.00 N ATOM 1291 CA LYS A 82 5.307 19.269 -0.335 1.00 0.00 C ATOM 1292 C LYS A 82 6.712 19.424 0.237 1.00 0.00 C ATOM 1293 O LYS A 82 7.370 20.443 0.026 1.00 0.00 O ATOM 1294 CB LYS A 82 4.269 19.483 0.769 1.00 0.00 C ATOM 1295 CG LYS A 82 3.411 20.720 0.566 1.00 0.00 C ATOM 1296 CD LYS A 82 2.990 21.331 1.892 1.00 0.00 C ATOM 1297 CE LYS A 82 3.067 22.850 1.856 1.00 0.00 C ATOM 1298 NZ LYS A 82 4.459 23.329 1.631 1.00 0.00 N ATOM 0 H LYS A 82 4.472 17.350 -0.456 1.00 0.00 H new ATOM 0 HA LYS A 82 5.165 20.022 -1.111 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.622 18.607 0.823 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.781 19.560 1.728 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.965 21.457 -0.015 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.525 20.458 -0.013 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.972 21.023 2.129 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.631 20.952 2.688 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.420 23.228 1.064 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.691 23.255 2.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.587 24.252 2.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.131 22.644 2.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.632 23.425 0.610 1.00 0.00 H new ATOM 1312 N ARG A 83 7.168 18.406 0.960 1.00 0.00 N ATOM 1313 CA ARG A 83 8.495 18.430 1.562 1.00 0.00 C ATOM 1314 C ARG A 83 8.608 19.554 2.587 1.00 0.00 C ATOM 1315 O ARG A 83 7.710 20.388 2.711 1.00 0.00 O ATOM 1316 CB ARG A 83 9.565 18.601 0.482 1.00 0.00 C ATOM 1317 CG ARG A 83 10.808 17.759 0.716 1.00 0.00 C ATOM 1318 CD ARG A 83 11.285 17.099 -0.568 1.00 0.00 C ATOM 1319 NE ARG A 83 12.656 16.608 -0.455 1.00 0.00 N ATOM 1320 CZ ARG A 83 13.723 17.398 -0.462 1.00 0.00 C ATOM 1321 NH1 ARG A 83 13.579 18.711 -0.577 1.00 0.00 N ATOM 1322 NH2 ARG A 83 14.938 16.876 -0.355 1.00 0.00 N ATOM 0 H ARG A 83 6.637 17.554 1.143 1.00 0.00 H new ATOM 0 HA ARG A 83 8.652 17.480 2.072 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.137 18.340 -0.486 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.852 19.651 0.431 1.00 0.00 H new ATOM 0 HG2 ARG A 83 11.602 18.386 1.121 1.00 0.00 H new ATOM 0 HG3 ARG A 83 10.595 16.994 1.462 1.00 0.00 H new ATOM 0 HD2 ARG A 83 10.623 16.270 -0.817 1.00 0.00 H new ATOM 0 HD3 ARG A 83 11.223 17.814 -1.388 1.00 0.00 H new ATOM 0 HE ARG A 83 12.802 15.602 -0.366 1.00 0.00 H new ATOM 0 HH11 ARG A 83 12.647 19.116 -0.660 1.00 0.00 H new ATOM 0 HH12 ARG A 83 14.400 19.316 -0.582 1.00 0.00 H new ATOM 0 HH21 ARG A 83 15.053 15.866 -0.267 1.00 0.00 H new ATOM 0 HH22 ARG A 83 15.757 17.484 -0.361 1.00 0.00 H new ATOM 1336 N HIS A 84 9.716 19.570 3.321 1.00 0.00 N ATOM 1337 CA HIS A 84 9.946 20.592 4.336 1.00 0.00 C ATOM 1338 C HIS A 84 10.896 21.668 3.818 1.00 0.00 C ATOM 1339 O HIS A 84 11.928 21.363 3.220 1.00 0.00 O ATOM 1340 CB HIS A 84 10.517 19.961 5.606 1.00 0.00 C ATOM 1341 CG HIS A 84 9.469 19.408 6.522 1.00 0.00 C ATOM 1342 ND1 HIS A 84 9.764 18.608 7.607 1.00 0.00 N ATOM 1343 CD2 HIS A 84 8.123 19.545 6.513 1.00 0.00 C ATOM 1344 CE1 HIS A 84 8.644 18.276 8.223 1.00 0.00 C ATOM 1345 NE2 HIS A 84 7.633 18.832 7.579 1.00 0.00 N ATOM 0 H HIS A 84 10.468 18.887 3.232 1.00 0.00 H new ATOM 0 HA HIS A 84 8.989 21.058 4.570 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.204 19.161 5.328 1.00 0.00 H new ATOM 0 HB3 HIS A 84 11.100 20.709 6.143 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.542 20.110 5.800 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.567 17.655 9.104 1.00 0.00 H new ATOM 0 HE2 HIS A 84 6.649 18.746 7.833 1.00 0.00 H new ATOM 1353 N ARG A 85 10.539 22.927 4.051 1.00 0.00 N ATOM 1354 CA ARG A 85 11.359 24.048 3.606 1.00 0.00 C ATOM 1355 C ARG A 85 11.487 24.058 2.085 1.00 0.00 C ATOM 1356 O ARG A 85 12.566 23.819 1.542 1.00 0.00 O ATOM 1357 CB ARG A 85 12.747 23.978 4.245 1.00 0.00 C ATOM 1358 CG ARG A 85 13.508 25.292 4.193 1.00 0.00 C ATOM 1359 CD ARG A 85 13.258 26.132 5.436 1.00 0.00 C ATOM 1360 NE ARG A 85 12.228 27.143 5.215 1.00 0.00 N ATOM 1361 CZ ARG A 85 11.737 27.915 6.179 1.00 0.00 C ATOM 1362 NH1 ARG A 85 12.181 27.791 7.422 1.00 0.00 N ATOM 1363 NH2 ARG A 85 10.801 28.812 5.899 1.00 0.00 N ATOM 0 H ARG A 85 9.688 23.196 4.545 1.00 0.00 H new ATOM 0 HA ARG A 85 10.869 24.970 3.918 1.00 0.00 H new ATOM 0 HB2 ARG A 85 12.644 23.669 5.285 1.00 0.00 H new ATOM 0 HB3 ARG A 85 13.332 23.209 3.740 1.00 0.00 H new ATOM 0 HG2 ARG A 85 14.575 25.092 4.097 1.00 0.00 H new ATOM 0 HG3 ARG A 85 13.208 25.852 3.308 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.958 25.482 6.258 1.00 0.00 H new ATOM 0 HD3 ARG A 85 14.185 26.619 5.737 1.00 0.00 H new ATOM 0 HE ARG A 85 11.866 27.263 4.269 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.901 27.102 7.640 1.00 0.00 H new ATOM 0 HH12 ARG A 85 11.803 28.385 8.160 1.00 0.00 H new ATOM 0 HH21 ARG A 85 10.458 28.910 4.943 1.00 0.00 H new ATOM 0 HH22 ARG A 85 10.424 29.404 6.639 1.00 0.00 H new ATOM 1377 N HIS A 86 10.380 24.335 1.405 1.00 0.00 N ATOM 1378 CA HIS A 86 10.369 24.375 -0.053 1.00 0.00 C ATOM 1379 C HIS A 86 11.132 25.591 -0.569 1.00 0.00 C ATOM 1380 O HIS A 86 10.629 26.714 -0.530 1.00 0.00 O ATOM 1381 CB HIS A 86 8.931 24.403 -0.573 1.00 0.00 C ATOM 1382 CG HIS A 86 8.798 23.948 -1.994 1.00 0.00 C ATOM 1383 ND1 HIS A 86 8.256 24.735 -2.988 1.00 0.00 N ATOM 1384 CD2 HIS A 86 9.143 22.781 -2.585 1.00 0.00 C ATOM 1385 CE1 HIS A 86 8.272 24.070 -4.130 1.00 0.00 C ATOM 1386 NE2 HIS A 86 8.805 22.881 -3.912 1.00 0.00 N ATOM 0 H HIS A 86 9.479 24.535 1.839 1.00 0.00 H new ATOM 0 HA HIS A 86 10.863 23.475 -0.420 1.00 0.00 H new ATOM 0 HB2 HIS A 86 8.312 23.770 0.062 1.00 0.00 H new ATOM 0 HB3 HIS A 86 8.542 25.418 -0.487 1.00 0.00 H new ATOM 0 HD2 HIS A 86 9.599 21.929 -2.103 1.00 0.00 H new ATOM 0 HE1 HIS A 86 7.911 24.436 -5.080 1.00 0.00 H new ATOM 0 HE2 HIS A 86 8.943 22.155 -4.615 1.00 0.00 H new ATOM 1394 N SER A 87 12.349 25.360 -1.051 1.00 0.00 N ATOM 1395 CA SER A 87 13.184 26.437 -1.570 1.00 0.00 C ATOM 1396 C SER A 87 13.456 26.244 -3.058 1.00 0.00 C ATOM 1397 O SER A 87 13.095 25.220 -3.638 1.00 0.00 O ATOM 1398 CB SER A 87 14.505 26.502 -0.802 1.00 0.00 C ATOM 1399 OG SER A 87 15.126 25.229 -0.747 1.00 0.00 O ATOM 0 H SER A 87 12.779 24.436 -1.093 1.00 0.00 H new ATOM 0 HA SER A 87 12.648 27.376 -1.436 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.174 27.216 -1.283 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.324 26.866 0.209 1.00 0.00 H new ATOM 0 HG SER A 87 15.969 25.297 -0.252 1.00 0.00 H new ATOM 1405 N GLU A 88 14.095 27.236 -3.670 1.00 0.00 N ATOM 1406 CA GLU A 88 14.415 27.176 -5.092 1.00 0.00 C ATOM 1407 C GLU A 88 13.160 26.926 -5.922 1.00 0.00 C ATOM 1408 O GLU A 88 12.840 25.785 -6.255 1.00 0.00 O ATOM 1409 CB GLU A 88 15.444 26.076 -5.359 1.00 0.00 C ATOM 1410 CG GLU A 88 15.772 25.895 -6.832 1.00 0.00 C ATOM 1411 CD GLU A 88 17.241 25.604 -7.071 1.00 0.00 C ATOM 1412 OE1 GLU A 88 17.817 24.795 -6.315 1.00 0.00 O ATOM 1413 OE2 GLU A 88 17.815 26.187 -8.015 1.00 0.00 O ATOM 0 H GLU A 88 14.401 28.090 -3.204 1.00 0.00 H new ATOM 0 HA GLU A 88 14.837 28.137 -5.384 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.361 26.308 -4.817 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.068 25.134 -4.960 1.00 0.00 H new ATOM 0 HG2 GLU A 88 15.173 25.079 -7.236 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.491 26.796 -7.376 1.00 0.00 H new ATOM 1420 N SER A 89 12.451 28.002 -6.252 1.00 0.00 N ATOM 1421 CA SER A 89 11.228 27.900 -7.039 1.00 0.00 C ATOM 1422 C SER A 89 11.111 29.067 -8.015 1.00 0.00 C ATOM 1423 O SER A 89 11.549 30.180 -7.724 1.00 0.00 O ATOM 1424 CB SER A 89 10.006 27.865 -6.119 1.00 0.00 C ATOM 1425 OG SER A 89 8.810 27.727 -6.866 1.00 0.00 O ATOM 0 H SER A 89 12.703 28.954 -5.986 1.00 0.00 H new ATOM 0 HA SER A 89 11.270 26.973 -7.611 1.00 0.00 H new ATOM 0 HB2 SER A 89 10.098 27.036 -5.418 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.966 28.780 -5.527 1.00 0.00 H new ATOM 0 HG SER A 89 8.044 27.705 -6.256 1.00 0.00 H new ATOM 1431 N GLY A 90 10.517 28.803 -9.174 1.00 0.00 N ATOM 1432 CA GLY A 90 10.353 29.841 -10.176 1.00 0.00 C ATOM 1433 C GLY A 90 9.352 29.458 -11.248 1.00 0.00 C ATOM 1434 O GLY A 90 8.620 28.476 -11.122 1.00 0.00 O ATOM 0 H GLY A 90 10.146 27.890 -9.438 1.00 0.00 H new ATOM 0 HA2 GLY A 90 10.028 30.762 -9.691 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.317 30.049 -10.641 1.00 0.00 H new ATOM 1438 N PRO A 91 9.309 30.247 -12.332 1.00 0.00 N ATOM 1439 CA PRO A 91 8.393 30.005 -13.451 1.00 0.00 C ATOM 1440 C PRO A 91 8.768 28.762 -14.250 1.00 0.00 C ATOM 1441 O PRO A 91 9.939 28.391 -14.326 1.00 0.00 O ATOM 1442 CB PRO A 91 8.548 31.261 -14.313 1.00 0.00 C ATOM 1443 CG PRO A 91 9.909 31.774 -13.994 1.00 0.00 C ATOM 1444 CD PRO A 91 10.152 31.434 -12.550 1.00 0.00 C ATOM 0 HA PRO A 91 7.373 29.827 -13.111 1.00 0.00 H new ATOM 0 HB2 PRO A 91 8.451 31.028 -15.373 1.00 0.00 H new ATOM 0 HB3 PRO A 91 7.781 31.999 -14.078 1.00 0.00 H new ATOM 0 HG2 PRO A 91 10.660 31.313 -14.635 1.00 0.00 H new ATOM 0 HG3 PRO A 91 9.968 32.850 -14.157 1.00 0.00 H new ATOM 0 HD2 PRO A 91 11.204 31.220 -12.359 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.869 32.255 -11.891 1.00 0.00 H new ATOM 1452 N SER A 92 7.766 28.121 -14.844 1.00 0.00 N ATOM 1453 CA SER A 92 7.991 26.917 -15.634 1.00 0.00 C ATOM 1454 C SER A 92 6.786 26.616 -16.520 1.00 0.00 C ATOM 1455 O SER A 92 5.668 26.451 -16.032 1.00 0.00 O ATOM 1456 CB SER A 92 8.274 25.725 -14.718 1.00 0.00 C ATOM 1457 OG SER A 92 7.897 26.008 -13.382 1.00 0.00 O ATOM 0 H SER A 92 6.791 28.416 -14.793 1.00 0.00 H new ATOM 0 HA SER A 92 8.857 27.089 -16.273 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.730 24.851 -15.075 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.335 25.478 -14.755 1.00 0.00 H new ATOM 0 HG SER A 92 8.086 25.230 -12.817 1.00 0.00 H new ATOM 1463 N SER A 93 7.022 26.546 -17.826 1.00 0.00 N ATOM 1464 CA SER A 93 5.957 26.269 -18.782 1.00 0.00 C ATOM 1465 C SER A 93 6.408 25.240 -19.815 1.00 0.00 C ATOM 1466 O SER A 93 7.381 25.454 -20.536 1.00 0.00 O ATOM 1467 CB SER A 93 5.525 27.557 -19.484 1.00 0.00 C ATOM 1468 OG SER A 93 4.547 27.295 -20.476 1.00 0.00 O ATOM 0 H SER A 93 7.942 26.677 -18.246 1.00 0.00 H new ATOM 0 HA SER A 93 5.108 25.860 -18.234 1.00 0.00 H new ATOM 0 HB2 SER A 93 5.125 28.258 -18.751 1.00 0.00 H new ATOM 0 HB3 SER A 93 6.392 28.034 -19.941 1.00 0.00 H new ATOM 0 HG SER A 93 4.287 28.135 -20.909 1.00 0.00 H new ATOM 1474 N GLY A 94 5.691 24.122 -19.880 1.00 0.00 N ATOM 1475 CA GLY A 94 6.031 23.076 -20.827 1.00 0.00 C ATOM 1476 C GLY A 94 5.924 21.690 -20.223 1.00 0.00 C ATOM 1477 O GLY A 94 6.406 21.483 -19.110 1.00 0.00 O ATOM 0 H GLY A 94 4.881 23.922 -19.294 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.371 23.144 -21.692 1.00 0.00 H new ATOM 0 HA3 GLY A 94 7.047 23.234 -21.189 1.00 0.00 H new TER 1481 GLY A 94 HETATM 1482 ZN ZN A 201 -11.149 -1.999 13.210 1.00 0.00 ZN