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+ 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 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= -0.842 USER MOD Single : A 13 THR OG1 : rot -163:sc= -0.871 USER MOD Single : A 14 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00348) USER MOD Single : A 17 MET CE :methyl -172:sc= 0 (180deg=-0.0409) USER MOD Single : A 18 LYS NZ :NH3+ -162:sc= -0.492 (180deg=-0.566) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -1.29 K(o=-1.3,f=-5.2!) 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 -132:sc= -0.683 USER MOD Single : A 38 MET CE :methyl 143:sc= -0.0104 (180deg=-0.149) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.02) 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 USER MOD Single : A 53 GLN : amide:sc= -0.377 K(o=-0.38,f=-0.96) 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=-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=-0.54) USER MOD Single : A 78 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.033) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -2.4! C(o=-2.4!,f=-7.2!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.135 X(o=-0.14,f=0) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,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 -12.133 8.296 14.876 1.00 0.00 N ATOM 2 CA GLY A 1 -10.764 7.814 14.879 1.00 0.00 C ATOM 3 C GLY A 1 -9.769 8.892 14.497 1.00 0.00 C ATOM 4 O GLY A 1 -9.898 9.521 13.447 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.774 7.522 15.143 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.228 9.076 15.558 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.379 8.636 13.925 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.519 7.432 15.870 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.675 6.979 14.184 1.00 0.00 H new ATOM 8 N SER A 2 -8.773 9.106 15.351 1.00 0.00 N ATOM 9 CA SER A 2 -7.755 10.119 15.099 1.00 0.00 C ATOM 10 C SER A 2 -6.447 9.760 15.799 1.00 0.00 C ATOM 11 O SER A 2 -6.432 9.460 16.993 1.00 0.00 O ATOM 12 CB SER A 2 -8.241 11.490 15.573 1.00 0.00 C ATOM 13 OG SER A 2 -9.324 11.362 16.478 1.00 0.00 O ATOM 0 H SER A 2 -8.649 8.592 16.223 1.00 0.00 H new ATOM 0 HA SER A 2 -7.574 10.158 14.025 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.421 12.023 16.055 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.549 12.087 14.715 1.00 0.00 H new ATOM 0 HG SER A 2 -9.615 12.252 16.768 1.00 0.00 H new ATOM 19 N SER A 3 -5.352 9.794 15.047 1.00 0.00 N ATOM 20 CA SER A 3 -4.040 9.469 15.593 1.00 0.00 C ATOM 21 C SER A 3 -3.064 10.624 15.386 1.00 0.00 C ATOM 22 O SER A 3 -2.423 11.086 16.328 1.00 0.00 O ATOM 23 CB SER A 3 -3.491 8.200 14.938 1.00 0.00 C ATOM 24 OG SER A 3 -4.524 7.256 14.712 1.00 0.00 O ATOM 0 H SER A 3 -5.347 10.043 14.058 1.00 0.00 H new ATOM 0 HA SER A 3 -4.152 9.298 16.664 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.012 8.453 13.992 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.725 7.760 15.576 1.00 0.00 H new ATOM 0 HG SER A 3 -4.148 6.455 14.291 1.00 0.00 H new ATOM 30 N GLY A 4 -2.958 11.086 14.143 1.00 0.00 N ATOM 31 CA GLY A 4 -2.060 12.182 13.833 1.00 0.00 C ATOM 32 C GLY A 4 -2.688 13.202 12.904 1.00 0.00 C ATOM 33 O GLY A 4 -3.317 12.841 11.909 1.00 0.00 O ATOM 0 H GLY A 4 -3.479 10.720 13.346 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.760 12.674 14.758 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.154 11.786 13.374 1.00 0.00 H new ATOM 37 N SER A 5 -2.519 14.480 13.229 1.00 0.00 N ATOM 38 CA SER A 5 -3.079 15.555 12.418 1.00 0.00 C ATOM 39 C SER A 5 -2.417 15.601 11.045 1.00 0.00 C ATOM 40 O SER A 5 -3.056 15.932 10.046 1.00 0.00 O ATOM 41 CB SER A 5 -2.905 16.900 13.127 1.00 0.00 C ATOM 42 OG SER A 5 -1.533 17.217 13.288 1.00 0.00 O ATOM 0 H SER A 5 -1.999 14.796 14.048 1.00 0.00 H new ATOM 0 HA SER A 5 -4.143 15.359 12.282 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.398 17.684 12.552 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.391 16.866 14.102 1.00 0.00 H new ATOM 0 HG SER A 5 -1.448 18.081 13.742 1.00 0.00 H new ATOM 48 N SER A 6 -1.131 15.267 11.003 1.00 0.00 N ATOM 49 CA SER A 6 -0.380 15.274 9.753 1.00 0.00 C ATOM 50 C SER A 6 0.621 14.123 9.714 1.00 0.00 C ATOM 51 O SER A 6 1.718 14.221 10.262 1.00 0.00 O ATOM 52 CB SER A 6 0.352 16.607 9.581 1.00 0.00 C ATOM 53 OG SER A 6 0.011 17.220 8.349 1.00 0.00 O ATOM 0 H SER A 6 -0.588 14.988 11.820 1.00 0.00 H new ATOM 0 HA SER A 6 -1.086 15.146 8.933 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.099 17.274 10.405 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.429 16.443 9.623 1.00 0.00 H new ATOM 0 HG SER A 6 0.490 18.071 8.263 1.00 0.00 H new ATOM 59 N GLY A 7 0.232 13.031 9.062 1.00 0.00 N ATOM 60 CA GLY A 7 1.105 11.876 8.963 1.00 0.00 C ATOM 61 C GLY A 7 0.347 10.567 9.060 1.00 0.00 C ATOM 62 O GLY A 7 -0.761 10.520 9.594 1.00 0.00 O ATOM 0 H GLY A 7 -0.672 12.926 8.601 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.643 11.911 8.016 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.852 11.920 9.756 1.00 0.00 H new ATOM 66 N PHE A 8 0.945 9.500 8.540 1.00 0.00 N ATOM 67 CA PHE A 8 0.318 8.183 8.567 1.00 0.00 C ATOM 68 C PHE A 8 1.335 7.104 8.925 1.00 0.00 C ATOM 69 O PHE A 8 2.301 6.877 8.195 1.00 0.00 O ATOM 70 CB PHE A 8 -0.320 7.871 7.212 1.00 0.00 C ATOM 71 CG PHE A 8 -1.609 8.603 6.972 1.00 0.00 C ATOM 72 CD1 PHE A 8 -2.751 8.272 7.683 1.00 0.00 C ATOM 73 CD2 PHE A 8 -1.677 9.624 6.037 1.00 0.00 C ATOM 74 CE1 PHE A 8 -3.939 8.944 7.463 1.00 0.00 C ATOM 75 CE2 PHE A 8 -2.862 10.300 5.814 1.00 0.00 C ATOM 76 CZ PHE A 8 -3.994 9.960 6.529 1.00 0.00 C ATOM 0 H PHE A 8 1.863 9.521 8.095 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.458 8.193 9.332 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.385 8.125 6.421 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -0.503 6.799 7.144 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.713 7.481 8.417 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.794 9.894 5.476 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.824 8.675 8.021 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.903 11.093 5.082 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.921 10.488 6.358 1.00 0.00 H new ATOM 86 N THR A 9 1.112 6.439 10.054 1.00 0.00 N ATOM 87 CA THR A 9 2.009 5.385 10.511 1.00 0.00 C ATOM 88 C THR A 9 1.262 4.068 10.690 1.00 0.00 C ATOM 89 O THR A 9 0.178 4.032 11.272 1.00 0.00 O ATOM 90 CB THR A 9 2.688 5.762 11.841 1.00 0.00 C ATOM 91 OG1 THR A 9 1.984 6.844 12.461 1.00 0.00 O ATOM 92 CG2 THR A 9 4.139 6.157 11.615 1.00 0.00 C ATOM 0 H THR A 9 0.317 6.612 10.669 1.00 0.00 H new ATOM 0 HA THR A 9 2.773 5.265 9.743 1.00 0.00 H new ATOM 0 HB THR A 9 2.663 4.891 12.496 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.421 7.077 13.307 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.598 6.419 12.569 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.679 5.321 11.170 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.182 7.015 10.944 1.00 0.00 H new ATOM 100 N CYS A 10 1.849 2.988 10.186 1.00 0.00 N ATOM 101 CA CYS A 10 1.239 1.667 10.290 1.00 0.00 C ATOM 102 C CYS A 10 1.444 1.082 11.683 1.00 0.00 C ATOM 103 O CYS A 10 2.554 1.056 12.216 1.00 0.00 O ATOM 104 CB CYS A 10 1.827 0.727 9.237 1.00 0.00 C ATOM 105 SG CYS A 10 0.874 -0.790 8.988 1.00 0.00 S ATOM 0 H CYS A 10 2.746 3.001 9.701 1.00 0.00 H new ATOM 0 HA CYS A 10 0.168 1.773 10.114 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.897 1.259 8.288 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.843 0.461 9.529 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.372 -0.489 8.769 1.00 0.00 H new ATOM 111 N PRO A 11 0.349 0.601 12.291 1.00 0.00 N ATOM 112 CA PRO A 11 0.382 0.009 13.631 1.00 0.00 C ATOM 113 C PRO A 11 1.104 -1.335 13.653 1.00 0.00 C ATOM 114 O PRO A 11 1.363 -1.893 14.719 1.00 0.00 O ATOM 115 CB PRO A 11 -1.098 -0.174 13.975 1.00 0.00 C ATOM 116 CG PRO A 11 -1.783 -0.279 12.657 1.00 0.00 C ATOM 117 CD PRO A 11 -1.007 0.599 11.715 1.00 0.00 C ATOM 0 HA PRO A 11 0.924 0.635 14.340 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.257 -1.069 14.576 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.477 0.669 14.552 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.797 -1.311 12.306 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.820 0.048 12.729 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.012 0.202 10.700 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.425 1.605 11.666 1.00 0.00 H new ATOM 125 N ILE A 12 1.426 -1.847 12.470 1.00 0.00 N ATOM 126 CA ILE A 12 2.119 -3.125 12.355 1.00 0.00 C ATOM 127 C ILE A 12 3.609 -2.921 12.100 1.00 0.00 C ATOM 128 O ILE A 12 4.444 -3.241 12.946 1.00 0.00 O ATOM 129 CB ILE A 12 1.529 -3.985 11.221 1.00 0.00 C ATOM 130 CG1 ILE A 12 0.033 -4.212 11.449 1.00 0.00 C ATOM 131 CG2 ILE A 12 2.264 -5.314 11.128 1.00 0.00 C ATOM 132 CD1 ILE A 12 -0.692 -4.730 10.228 1.00 0.00 C ATOM 0 H ILE A 12 1.219 -1.397 11.578 1.00 0.00 H new ATOM 0 HA ILE A 12 1.982 -3.645 13.303 1.00 0.00 H new ATOM 0 HB ILE A 12 1.657 -3.454 10.278 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.098 -4.920 12.267 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.425 -3.274 11.763 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.836 -5.911 10.323 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.319 -5.133 10.924 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.164 -5.852 12.071 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.748 -4.868 10.463 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.592 -4.012 9.414 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.260 -5.684 9.926 1.00 0.00 H new ATOM 144 N THR A 13 3.935 -2.383 10.929 1.00 0.00 N ATOM 145 CA THR A 13 5.324 -2.135 10.563 1.00 0.00 C ATOM 146 C THR A 13 5.920 -1.008 11.398 1.00 0.00 C ATOM 147 O THR A 13 7.139 -0.903 11.539 1.00 0.00 O ATOM 148 CB THR A 13 5.456 -1.778 9.070 1.00 0.00 C ATOM 149 OG1 THR A 13 4.756 -0.559 8.795 1.00 0.00 O ATOM 150 CG2 THR A 13 4.906 -2.894 8.196 1.00 0.00 C ATOM 0 H THR A 13 3.256 -2.111 10.218 1.00 0.00 H new ATOM 0 HA THR A 13 5.872 -3.057 10.759 1.00 0.00 H new ATOM 0 HB THR A 13 6.514 -1.648 8.842 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.610 -0.476 7.830 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.010 -2.619 7.146 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.461 -3.813 8.387 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.852 -3.051 8.427 1.00 0.00 H new ATOM 158 N LYS A 14 5.054 -0.167 11.953 1.00 0.00 N ATOM 159 CA LYS A 14 5.494 0.952 12.777 1.00 0.00 C ATOM 160 C LYS A 14 6.321 1.939 11.958 1.00 0.00 C ATOM 161 O LYS A 14 7.349 2.432 12.420 1.00 0.00 O ATOM 162 CB LYS A 14 6.315 0.446 13.965 1.00 0.00 C ATOM 163 CG LYS A 14 5.649 -0.690 14.724 1.00 0.00 C ATOM 164 CD LYS A 14 4.306 -0.268 15.295 1.00 0.00 C ATOM 165 CE LYS A 14 4.326 -0.254 16.815 1.00 0.00 C ATOM 166 NZ LYS A 14 5.280 0.758 17.349 1.00 0.00 N ATOM 0 H LYS A 14 4.042 -0.240 11.847 1.00 0.00 H new ATOM 0 HA LYS A 14 4.608 1.467 13.148 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.289 0.111 13.607 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.495 1.274 14.651 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.511 -1.542 14.058 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.301 -1.020 15.532 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.047 0.724 14.924 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.531 -0.950 14.947 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.325 -0.042 17.189 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.601 -1.242 17.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.202 0.795 18.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.250 0.494 17.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.054 1.692 16.951 1.00 0.00 H new ATOM 180 N GLU A 15 5.863 2.222 10.743 1.00 0.00 N ATOM 181 CA GLU A 15 6.562 3.150 9.862 1.00 0.00 C ATOM 182 C GLU A 15 5.585 3.839 8.913 1.00 0.00 C ATOM 183 O GLU A 15 4.422 3.450 8.814 1.00 0.00 O ATOM 184 CB GLU A 15 7.637 2.415 9.059 1.00 0.00 C ATOM 185 CG GLU A 15 7.080 1.356 8.123 1.00 0.00 C ATOM 186 CD GLU A 15 7.962 1.126 6.911 1.00 0.00 C ATOM 187 OE1 GLU A 15 8.411 2.122 6.306 1.00 0.00 O ATOM 188 OE2 GLU A 15 8.203 -0.050 6.568 1.00 0.00 O ATOM 0 H GLU A 15 5.012 1.823 10.347 1.00 0.00 H new ATOM 0 HA GLU A 15 7.038 3.910 10.481 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.203 3.141 8.476 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.337 1.945 9.750 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.966 0.419 8.668 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.086 1.656 7.792 1.00 0.00 H new ATOM 195 N GLU A 16 6.067 4.864 8.217 1.00 0.00 N ATOM 196 CA GLU A 16 5.237 5.608 7.278 1.00 0.00 C ATOM 197 C GLU A 16 4.550 4.664 6.294 1.00 0.00 C ATOM 198 O GLU A 16 5.101 3.628 5.924 1.00 0.00 O ATOM 199 CB GLU A 16 6.081 6.631 6.515 1.00 0.00 C ATOM 200 CG GLU A 16 5.289 7.834 6.032 1.00 0.00 C ATOM 201 CD GLU A 16 6.056 9.134 6.181 1.00 0.00 C ATOM 202 OE1 GLU A 16 6.830 9.476 5.263 1.00 0.00 O ATOM 203 OE2 GLU A 16 5.880 9.810 7.216 1.00 0.00 O ATOM 0 H GLU A 16 7.028 5.198 8.286 1.00 0.00 H new ATOM 0 HA GLU A 16 4.471 6.133 7.848 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.891 6.974 7.159 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.542 6.142 5.657 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.022 7.692 4.985 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.357 7.900 6.593 1.00 0.00 H new ATOM 210 N MET A 17 3.343 5.031 5.876 1.00 0.00 N ATOM 211 CA MET A 17 2.580 4.218 4.936 1.00 0.00 C ATOM 212 C MET A 17 2.554 4.865 3.555 1.00 0.00 C ATOM 213 O MET A 17 2.463 6.087 3.431 1.00 0.00 O ATOM 214 CB MET A 17 1.151 4.017 5.444 1.00 0.00 C ATOM 215 CG MET A 17 1.081 3.377 6.821 1.00 0.00 C ATOM 216 SD MET A 17 -0.429 2.422 7.067 1.00 0.00 S ATOM 217 CE MET A 17 -1.670 3.701 6.895 1.00 0.00 C ATOM 0 H MET A 17 2.872 5.886 6.173 1.00 0.00 H new ATOM 0 HA MET A 17 3.069 3.247 4.855 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.646 4.982 5.475 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.606 3.394 4.735 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.944 2.726 6.959 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.143 4.155 7.582 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.647 3.298 7.161 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.429 4.533 7.556 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.691 4.052 5.863 1.00 0.00 H new ATOM 227 N LYS A 18 2.636 4.039 2.517 1.00 0.00 N ATOM 228 CA LYS A 18 2.621 4.529 1.144 1.00 0.00 C ATOM 229 C LYS A 18 1.412 3.991 0.387 1.00 0.00 C ATOM 230 O LYS A 18 0.896 4.640 -0.523 1.00 0.00 O ATOM 231 CB LYS A 18 3.909 4.126 0.423 1.00 0.00 C ATOM 232 CG LYS A 18 5.173 4.553 1.150 1.00 0.00 C ATOM 233 CD LYS A 18 5.482 6.022 0.915 1.00 0.00 C ATOM 234 CE LYS A 18 6.720 6.461 1.682 1.00 0.00 C ATOM 235 NZ LYS A 18 6.369 7.227 2.909 1.00 0.00 N ATOM 0 H LYS A 18 2.714 3.025 2.601 1.00 0.00 H new ATOM 0 HA LYS A 18 2.554 5.617 1.174 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.921 3.043 0.296 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.909 4.564 -0.575 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.058 4.371 2.219 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.012 3.945 0.811 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.632 6.197 -0.150 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.629 6.628 1.221 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.307 5.585 1.956 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.348 7.076 1.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.200 7.761 3.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.594 7.888 2.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.067 6.568 3.655 1.00 0.00 H new ATOM 249 N LYS A 19 0.962 2.800 0.770 1.00 0.00 N ATOM 250 CA LYS A 19 -0.188 2.174 0.129 1.00 0.00 C ATOM 251 C LYS A 19 -1.266 1.838 1.155 1.00 0.00 C ATOM 252 O LYS A 19 -1.363 0.711 1.642 1.00 0.00 O ATOM 253 CB LYS A 19 0.241 0.905 -0.610 1.00 0.00 C ATOM 254 CG LYS A 19 0.786 1.168 -2.003 1.00 0.00 C ATOM 255 CD LYS A 19 2.104 0.447 -2.232 1.00 0.00 C ATOM 256 CE LYS A 19 2.649 0.712 -3.627 1.00 0.00 C ATOM 257 NZ LYS A 19 4.104 1.030 -3.603 1.00 0.00 N ATOM 0 H LYS A 19 1.377 2.249 1.522 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.602 2.882 -0.589 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.002 0.392 -0.022 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.613 0.231 -0.684 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.058 0.843 -2.747 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.927 2.240 -2.143 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.832 0.772 -1.488 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.963 -0.625 -2.093 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.479 -0.162 -4.256 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.104 1.541 -4.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.437 1.204 -4.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.264 1.879 -3.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.628 0.229 -3.196 1.00 0.00 H new ATOM 271 N PRO A 20 -2.096 2.836 1.492 1.00 0.00 N ATOM 272 CA PRO A 20 -3.182 2.669 2.462 1.00 0.00 C ATOM 273 C PRO A 20 -4.304 1.785 1.929 1.00 0.00 C ATOM 274 O PRO A 20 -4.861 2.047 0.863 1.00 0.00 O ATOM 275 CB PRO A 20 -3.685 4.098 2.681 1.00 0.00 C ATOM 276 CG PRO A 20 -3.322 4.823 1.432 1.00 0.00 C ATOM 277 CD PRO A 20 -2.038 4.205 0.953 1.00 0.00 C ATOM 0 HA PRO A 20 -2.842 2.178 3.374 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.761 4.117 2.851 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.216 4.553 3.553 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -4.106 4.724 0.682 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.195 5.889 1.622 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.973 4.206 -0.135 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.168 4.747 1.325 1.00 0.00 H new ATOM 285 N VAL A 21 -4.632 0.737 2.678 1.00 0.00 N ATOM 286 CA VAL A 21 -5.690 -0.185 2.281 1.00 0.00 C ATOM 287 C VAL A 21 -6.833 -0.178 3.289 1.00 0.00 C ATOM 288 O VAL A 21 -6.634 -0.456 4.472 1.00 0.00 O ATOM 289 CB VAL A 21 -5.156 -1.623 2.137 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.242 -1.735 0.926 1.00 0.00 C ATOM 291 CG2 VAL A 21 -4.430 -2.051 3.404 1.00 0.00 C ATOM 0 H VAL A 21 -4.181 0.505 3.563 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.061 0.156 1.314 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.003 -2.293 1.986 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.875 -2.758 0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.797 -1.473 0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.398 -1.055 1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.059 -3.069 3.285 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.592 -1.379 3.588 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.118 -2.012 4.248 1.00 0.00 H new ATOM 301 N LYS A 22 -8.032 0.142 2.814 1.00 0.00 N ATOM 302 CA LYS A 22 -9.209 0.185 3.673 1.00 0.00 C ATOM 303 C LYS A 22 -9.982 -1.128 3.602 1.00 0.00 C ATOM 304 O LYS A 22 -10.089 -1.740 2.540 1.00 0.00 O ATOM 305 CB LYS A 22 -10.119 1.347 3.268 1.00 0.00 C ATOM 306 CG LYS A 22 -11.164 1.694 4.315 1.00 0.00 C ATOM 307 CD LYS A 22 -12.413 2.283 3.681 1.00 0.00 C ATOM 308 CE LYS A 22 -13.193 1.232 2.905 1.00 0.00 C ATOM 309 NZ LYS A 22 -14.496 1.759 2.415 1.00 0.00 N ATOM 0 H LYS A 22 -8.214 0.376 1.838 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.874 0.334 4.699 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.506 2.227 3.073 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.622 1.096 2.334 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.428 0.799 4.878 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.745 2.406 5.026 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.049 2.711 4.456 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.134 3.097 3.013 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.598 0.890 2.058 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.368 0.365 3.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.997 1.013 1.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.074 2.062 3.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.328 2.570 1.786 1.00 0.00 H new ATOM 323 N ASN A 23 -10.520 -1.555 4.740 1.00 0.00 N ATOM 324 CA ASN A 23 -11.284 -2.796 4.806 1.00 0.00 C ATOM 325 C ASN A 23 -12.770 -2.532 4.589 1.00 0.00 C ATOM 326 O ASN A 23 -13.277 -1.460 4.921 1.00 0.00 O ATOM 327 CB ASN A 23 -11.068 -3.480 6.158 1.00 0.00 C ATOM 328 CG ASN A 23 -10.878 -4.979 6.023 1.00 0.00 C ATOM 329 OD1 ASN A 23 -10.232 -5.452 5.088 1.00 0.00 O ATOM 330 ND2 ASN A 23 -11.440 -5.733 6.960 1.00 0.00 N ATOM 0 H ASN A 23 -10.441 -1.060 5.629 1.00 0.00 H new ATOM 0 HA ASN A 23 -10.931 -3.454 4.012 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.194 -3.048 6.645 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.924 -3.281 6.804 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.345 -6.748 6.923 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.967 -5.297 7.717 1.00 0.00 H new ATOM 337 N LYS A 24 -13.465 -3.516 4.029 1.00 0.00 N ATOM 338 CA LYS A 24 -14.894 -3.393 3.768 1.00 0.00 C ATOM 339 C LYS A 24 -15.708 -3.790 4.995 1.00 0.00 C ATOM 340 O LYS A 24 -16.847 -3.354 5.165 1.00 0.00 O ATOM 341 CB LYS A 24 -15.293 -4.265 2.575 1.00 0.00 C ATOM 342 CG LYS A 24 -14.346 -4.148 1.393 1.00 0.00 C ATOM 343 CD LYS A 24 -15.093 -3.826 0.110 1.00 0.00 C ATOM 344 CE LYS A 24 -15.715 -2.439 0.160 1.00 0.00 C ATOM 345 NZ LYS A 24 -16.014 -1.916 -1.202 1.00 0.00 N ATOM 0 H LYS A 24 -13.061 -4.409 3.747 1.00 0.00 H new ATOM 0 HA LYS A 24 -15.106 -2.350 3.535 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.335 -5.306 2.895 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -16.297 -3.989 2.254 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.609 -3.369 1.591 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.798 -5.082 1.271 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.409 -3.889 -0.736 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.873 -4.570 -0.055 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -16.634 -2.474 0.745 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.037 -1.755 0.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.437 -0.969 -1.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.134 -1.859 -1.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.681 -2.555 -1.681 1.00 0.00 H new ATOM 359 N VAL A 25 -15.116 -4.618 5.850 1.00 0.00 N ATOM 360 CA VAL A 25 -15.785 -5.072 7.063 1.00 0.00 C ATOM 361 C VAL A 25 -15.769 -3.989 8.137 1.00 0.00 C ATOM 362 O VAL A 25 -16.814 -3.457 8.512 1.00 0.00 O ATOM 363 CB VAL A 25 -15.126 -6.346 7.625 1.00 0.00 C ATOM 364 CG1 VAL A 25 -15.952 -6.915 8.768 1.00 0.00 C ATOM 365 CG2 VAL A 25 -14.940 -7.379 6.524 1.00 0.00 C ATOM 0 H VAL A 25 -14.174 -4.988 5.725 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.816 -5.296 6.791 1.00 0.00 H new ATOM 0 HB VAL A 25 -14.143 -6.084 8.015 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -15.471 -7.814 9.152 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -16.028 -6.176 9.565 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -16.950 -7.163 8.407 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -14.473 -8.273 6.939 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.911 -7.639 6.102 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.303 -6.966 5.742 1.00 0.00 H new ATOM 375 N CYS A 26 -14.577 -3.667 8.627 1.00 0.00 N ATOM 376 CA CYS A 26 -14.424 -2.648 9.658 1.00 0.00 C ATOM 377 C CYS A 26 -14.371 -1.254 9.041 1.00 0.00 C ATOM 378 O CYS A 26 -15.277 -0.444 9.230 1.00 0.00 O ATOM 379 CB CYS A 26 -13.156 -2.905 10.475 1.00 0.00 C ATOM 380 SG CYS A 26 -12.760 -1.586 11.667 1.00 0.00 S ATOM 0 H CYS A 26 -13.702 -4.097 8.326 1.00 0.00 H new ATOM 0 HA CYS A 26 -15.290 -2.701 10.318 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.268 -3.846 11.014 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.315 -3.027 9.792 1.00 0.00 H new ATOM 385 N GLY A 27 -13.300 -0.981 8.300 1.00 0.00 N ATOM 386 CA GLY A 27 -13.148 0.316 7.666 1.00 0.00 C ATOM 387 C GLY A 27 -11.782 0.925 7.914 1.00 0.00 C ATOM 388 O GLY A 27 -11.373 1.854 7.216 1.00 0.00 O ATOM 0 H GLY A 27 -12.536 -1.634 8.128 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.307 0.213 6.593 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.917 0.992 8.039 1.00 0.00 H new ATOM 392 N HIS A 28 -11.075 0.404 8.912 1.00 0.00 N ATOM 393 CA HIS A 28 -9.748 0.904 9.251 1.00 0.00 C ATOM 394 C HIS A 28 -8.837 0.900 8.027 1.00 0.00 C ATOM 395 O HIS A 28 -9.204 0.391 6.967 1.00 0.00 O ATOM 396 CB HIS A 28 -9.129 0.057 10.363 1.00 0.00 C ATOM 397 CG HIS A 28 -9.408 0.580 11.739 1.00 0.00 C ATOM 398 ND1 HIS A 28 -9.737 -0.235 12.802 1.00 0.00 N ATOM 399 CD2 HIS A 28 -9.403 1.844 12.224 1.00 0.00 C ATOM 400 CE1 HIS A 28 -9.925 0.505 13.880 1.00 0.00 C ATOM 401 NE2 HIS A 28 -9.728 1.770 13.556 1.00 0.00 N ATOM 0 H HIS A 28 -11.399 -0.364 9.500 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.853 1.931 9.602 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.508 -0.962 10.287 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.050 0.008 10.214 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.184 2.743 11.667 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.194 0.138 14.859 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.805 2.564 14.192 1.00 0.00 H new ATOM 409 N THR A 29 -7.646 1.472 8.179 1.00 0.00 N ATOM 410 CA THR A 29 -6.684 1.537 7.086 1.00 0.00 C ATOM 411 C THR A 29 -5.303 1.077 7.542 1.00 0.00 C ATOM 412 O THR A 29 -4.863 1.402 8.645 1.00 0.00 O ATOM 413 CB THR A 29 -6.576 2.964 6.516 1.00 0.00 C ATOM 414 OG1 THR A 29 -7.408 3.855 7.267 1.00 0.00 O ATOM 415 CG2 THR A 29 -6.983 2.994 5.051 1.00 0.00 C ATOM 0 H THR A 29 -7.325 1.897 9.049 1.00 0.00 H new ATOM 0 HA THR A 29 -7.047 0.869 6.305 1.00 0.00 H new ATOM 0 HB THR A 29 -5.537 3.285 6.594 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.333 4.760 6.900 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.899 4.012 4.671 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.329 2.337 4.478 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.014 2.654 4.953 1.00 0.00 H new ATOM 423 N TYR A 30 -4.625 0.321 6.686 1.00 0.00 N ATOM 424 CA TYR A 30 -3.294 -0.184 7.002 1.00 0.00 C ATOM 425 C TYR A 30 -2.394 -0.155 5.770 1.00 0.00 C ATOM 426 O TYR A 30 -2.829 0.212 4.679 1.00 0.00 O ATOM 427 CB TYR A 30 -3.384 -1.610 7.548 1.00 0.00 C ATOM 428 CG TYR A 30 -4.568 -1.835 8.461 1.00 0.00 C ATOM 429 CD1 TYR A 30 -4.608 -1.273 9.731 1.00 0.00 C ATOM 430 CD2 TYR A 30 -5.646 -2.611 8.054 1.00 0.00 C ATOM 431 CE1 TYR A 30 -5.687 -1.477 10.569 1.00 0.00 C ATOM 432 CE2 TYR A 30 -6.731 -2.819 8.885 1.00 0.00 C ATOM 433 CZ TYR A 30 -6.746 -2.250 10.141 1.00 0.00 C ATOM 434 OH TYR A 30 -7.824 -2.456 10.972 1.00 0.00 O ATOM 0 H TYR A 30 -4.975 0.044 5.769 1.00 0.00 H new ATOM 0 HA TYR A 30 -2.858 0.463 7.763 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.443 -2.307 6.712 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.468 -1.841 8.092 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.781 -0.666 10.069 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.636 -3.059 7.072 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.701 -1.034 11.554 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -7.562 -3.424 8.553 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.046 -3.410 10.989 1.00 0.00 H new ATOM 444 N GLU A 31 -1.137 -0.546 5.955 1.00 0.00 N ATOM 445 CA GLU A 31 -0.175 -0.565 4.860 1.00 0.00 C ATOM 446 C GLU A 31 -0.300 -1.850 4.047 1.00 0.00 C ATOM 447 O GLU A 31 -0.601 -2.912 4.590 1.00 0.00 O ATOM 448 CB GLU A 31 1.250 -0.427 5.400 1.00 0.00 C ATOM 449 CG GLU A 31 2.324 -0.693 4.359 1.00 0.00 C ATOM 450 CD GLU A 31 3.575 0.134 4.587 1.00 0.00 C ATOM 451 OE1 GLU A 31 3.913 0.387 5.763 1.00 0.00 O ATOM 452 OE2 GLU A 31 4.216 0.526 3.590 1.00 0.00 O ATOM 0 H GLU A 31 -0.762 -0.854 6.852 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.392 0.280 4.207 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.383 0.579 5.798 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.383 -1.119 6.232 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.585 -1.751 4.374 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.926 -0.477 3.368 1.00 0.00 H new ATOM 459 N GLU A 32 -0.068 -1.744 2.742 1.00 0.00 N ATOM 460 CA GLU A 32 -0.157 -2.897 1.855 1.00 0.00 C ATOM 461 C GLU A 32 0.731 -4.035 2.350 1.00 0.00 C ATOM 462 O GLU A 32 0.240 -5.078 2.781 1.00 0.00 O ATOM 463 CB GLU A 32 0.244 -2.506 0.431 1.00 0.00 C ATOM 464 CG GLU A 32 -0.263 -3.467 -0.630 1.00 0.00 C ATOM 465 CD GLU A 32 -0.036 -2.954 -2.039 1.00 0.00 C ATOM 466 OE1 GLU A 32 -0.911 -2.225 -2.552 1.00 0.00 O ATOM 467 OE2 GLU A 32 1.015 -3.281 -2.628 1.00 0.00 O ATOM 0 H GLU A 32 0.183 -0.872 2.277 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.191 -3.241 1.852 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.137 -1.508 0.217 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.331 -2.452 0.371 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.237 -4.428 -0.513 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.328 -3.641 -0.478 1.00 0.00 H new ATOM 474 N ASP A 33 2.042 -3.825 2.286 1.00 0.00 N ATOM 475 CA ASP A 33 3.000 -4.832 2.728 1.00 0.00 C ATOM 476 C ASP A 33 2.656 -5.331 4.128 1.00 0.00 C ATOM 477 O ASP A 33 2.928 -6.481 4.471 1.00 0.00 O ATOM 478 CB ASP A 33 4.418 -4.259 2.711 1.00 0.00 C ATOM 479 CG ASP A 33 4.716 -3.489 1.440 1.00 0.00 C ATOM 480 OD1 ASP A 33 4.062 -3.764 0.412 1.00 0.00 O ATOM 481 OD2 ASP A 33 5.604 -2.611 1.472 1.00 0.00 O ATOM 0 H ASP A 33 2.465 -2.967 1.932 1.00 0.00 H new ATOM 0 HA ASP A 33 2.949 -5.675 2.039 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.551 -3.602 3.570 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.136 -5.072 2.817 1.00 0.00 H new ATOM 486 N ALA A 34 2.058 -4.458 4.932 1.00 0.00 N ATOM 487 CA ALA A 34 1.677 -4.811 6.294 1.00 0.00 C ATOM 488 C ALA A 34 0.537 -5.824 6.300 1.00 0.00 C ATOM 489 O ALA A 34 0.691 -6.943 6.789 1.00 0.00 O ATOM 490 CB ALA A 34 1.282 -3.564 7.071 1.00 0.00 C ATOM 0 H ALA A 34 1.827 -3.501 4.664 1.00 0.00 H new ATOM 0 HA ALA A 34 2.538 -5.270 6.779 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.000 -3.842 8.086 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.125 -2.874 7.105 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.438 -3.081 6.579 1.00 0.00 H new ATOM 496 N ILE A 35 -0.607 -5.424 5.753 1.00 0.00 N ATOM 497 CA ILE A 35 -1.772 -6.297 5.696 1.00 0.00 C ATOM 498 C ILE A 35 -1.495 -7.528 4.840 1.00 0.00 C ATOM 499 O ILE A 35 -2.174 -8.548 4.961 1.00 0.00 O ATOM 500 CB ILE A 35 -3.001 -5.560 5.132 1.00 0.00 C ATOM 501 CG1 ILE A 35 -4.258 -6.415 5.303 1.00 0.00 C ATOM 502 CG2 ILE A 35 -2.784 -5.214 3.666 1.00 0.00 C ATOM 503 CD1 ILE A 35 -4.588 -6.722 6.747 1.00 0.00 C ATOM 0 H ILE A 35 -0.751 -4.501 5.343 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.983 -6.608 6.719 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.137 -4.632 5.688 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.103 -5.899 4.847 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.127 -7.352 4.762 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.661 -4.694 3.281 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.909 -4.571 3.570 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.626 -6.129 3.096 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.491 -7.331 6.792 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.760 -7.266 7.202 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.752 -5.790 7.289 1.00 0.00 H new ATOM 515 N VAL A 36 -0.491 -7.427 3.975 1.00 0.00 N ATOM 516 CA VAL A 36 -0.121 -8.533 3.100 1.00 0.00 C ATOM 517 C VAL A 36 0.823 -9.500 3.806 1.00 0.00 C ATOM 518 O VAL A 36 0.721 -10.716 3.638 1.00 0.00 O ATOM 519 CB VAL A 36 0.552 -8.027 1.809 1.00 0.00 C ATOM 520 CG1 VAL A 36 1.110 -9.192 1.006 1.00 0.00 C ATOM 521 CG2 VAL A 36 -0.433 -7.219 0.978 1.00 0.00 C ATOM 0 H VAL A 36 0.081 -6.590 3.861 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.043 -9.053 2.841 1.00 0.00 H new ATOM 0 HB VAL A 36 1.382 -7.376 2.083 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.581 -8.816 0.098 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.849 -9.725 1.604 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.300 -9.871 0.740 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.058 -6.869 0.070 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.284 -7.846 0.712 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.780 -6.362 1.556 1.00 0.00 H new ATOM 531 N ARG A 37 1.740 -8.952 4.596 1.00 0.00 N ATOM 532 CA ARG A 37 2.703 -9.767 5.328 1.00 0.00 C ATOM 533 C ARG A 37 2.082 -10.329 6.603 1.00 0.00 C ATOM 534 O ARG A 37 2.521 -11.357 7.118 1.00 0.00 O ATOM 535 CB ARG A 37 3.944 -8.941 5.673 1.00 0.00 C ATOM 536 CG ARG A 37 3.741 -7.998 6.848 1.00 0.00 C ATOM 537 CD ARG A 37 5.003 -7.207 7.152 1.00 0.00 C ATOM 538 NE ARG A 37 6.065 -8.056 7.687 1.00 0.00 N ATOM 539 CZ ARG A 37 6.130 -8.438 8.958 1.00 0.00 C ATOM 540 NH1 ARG A 37 5.199 -8.050 9.818 1.00 0.00 N ATOM 541 NH2 ARG A 37 7.127 -9.211 9.369 1.00 0.00 N ATOM 0 H ARG A 37 1.837 -7.948 4.746 1.00 0.00 H new ATOM 0 HA ARG A 37 2.996 -10.601 4.689 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.769 -9.617 5.899 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.238 -8.360 4.799 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.924 -7.311 6.628 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.448 -8.570 7.728 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.353 -6.719 6.242 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.773 -6.419 7.869 1.00 0.00 H new ATOM 0 HE ARG A 37 6.796 -8.373 7.050 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.431 -7.457 9.505 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.251 -8.345 10.793 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.844 -9.512 8.709 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.176 -9.504 10.345 1.00 0.00 H new ATOM 555 N MET A 38 1.059 -9.646 7.107 1.00 0.00 N ATOM 556 CA MET A 38 0.378 -10.077 8.322 1.00 0.00 C ATOM 557 C MET A 38 -0.501 -11.294 8.050 1.00 0.00 C ATOM 558 O MET A 38 -0.354 -12.334 8.693 1.00 0.00 O ATOM 559 CB MET A 38 -0.471 -8.937 8.889 1.00 0.00 C ATOM 560 CG MET A 38 -1.352 -9.357 10.055 1.00 0.00 C ATOM 561 SD MET A 38 -3.110 -9.193 9.690 1.00 0.00 S ATOM 562 CE MET A 38 -3.469 -7.615 10.458 1.00 0.00 C ATOM 0 H MET A 38 0.684 -8.793 6.693 1.00 0.00 H new ATOM 0 HA MET A 38 1.136 -10.354 9.054 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.187 -8.131 9.214 1.00 0.00 H new ATOM 0 HB3 MET A 38 -1.100 -8.534 8.095 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.134 -10.393 10.316 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.108 -8.751 10.927 1.00 0.00 H new ATOM 0 HE1 MET A 38 -4.188 -7.069 9.848 1.00 0.00 H new ATOM 0 HE2 MET A 38 -3.887 -7.780 11.451 1.00 0.00 H new ATOM 0 HE3 MET A 38 -2.550 -7.034 10.543 1.00 0.00 H new ATOM 572 N ILE A 39 -1.414 -11.157 7.095 1.00 0.00 N ATOM 573 CA ILE A 39 -2.315 -12.245 6.738 1.00 0.00 C ATOM 574 C ILE A 39 -1.538 -13.506 6.376 1.00 0.00 C ATOM 575 O ILE A 39 -1.975 -14.620 6.664 1.00 0.00 O ATOM 576 CB ILE A 39 -3.225 -11.859 5.556 1.00 0.00 C ATOM 577 CG1 ILE A 39 -4.047 -10.616 5.902 1.00 0.00 C ATOM 578 CG2 ILE A 39 -4.137 -13.020 5.189 1.00 0.00 C ATOM 579 CD1 ILE A 39 -4.691 -9.963 4.699 1.00 0.00 C ATOM 0 H ILE A 39 -1.549 -10.303 6.554 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.934 -12.441 7.613 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.599 -11.628 4.694 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.824 -10.891 6.615 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.402 -9.890 6.397 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.774 -12.732 4.353 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.533 -13.882 4.905 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.759 -13.279 6.046 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.257 -9.089 5.019 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.918 -9.656 3.994 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.362 -10.673 4.215 1.00 0.00 H new ATOM 591 N GLU A 40 -0.383 -13.322 5.744 1.00 0.00 N ATOM 592 CA GLU A 40 0.456 -14.446 5.344 1.00 0.00 C ATOM 593 C GLU A 40 1.228 -15.001 6.538 1.00 0.00 C ATOM 594 O GLU A 40 1.571 -16.182 6.573 1.00 0.00 O ATOM 595 CB GLU A 40 1.432 -14.017 4.246 1.00 0.00 C ATOM 596 CG GLU A 40 0.779 -13.844 2.885 1.00 0.00 C ATOM 597 CD GLU A 40 1.305 -14.826 1.857 1.00 0.00 C ATOM 598 OE1 GLU A 40 1.191 -16.047 2.091 1.00 0.00 O ATOM 599 OE2 GLU A 40 1.831 -14.374 0.818 1.00 0.00 O ATOM 0 H GLU A 40 -0.007 -12.406 5.498 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.193 -15.231 4.957 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.902 -13.077 4.536 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.226 -14.760 4.167 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.299 -13.971 2.985 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.949 -12.827 2.531 1.00 0.00 H new ATOM 606 N SER A 41 1.497 -14.139 7.513 1.00 0.00 N ATOM 607 CA SER A 41 2.232 -14.541 8.707 1.00 0.00 C ATOM 608 C SER A 41 1.305 -15.213 9.715 1.00 0.00 C ATOM 609 O SER A 41 1.746 -16.003 10.549 1.00 0.00 O ATOM 610 CB SER A 41 2.908 -13.327 9.348 1.00 0.00 C ATOM 611 OG SER A 41 3.349 -13.624 10.661 1.00 0.00 O ATOM 0 H SER A 41 1.217 -13.158 7.500 1.00 0.00 H new ATOM 0 HA SER A 41 2.997 -15.258 8.409 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.756 -13.015 8.738 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.210 -12.490 9.376 1.00 0.00 H new ATOM 0 HG SER A 41 3.779 -12.833 11.048 1.00 0.00 H new ATOM 617 N ARG A 42 0.018 -14.892 9.631 1.00 0.00 N ATOM 618 CA ARG A 42 -0.972 -15.462 10.537 1.00 0.00 C ATOM 619 C ARG A 42 -1.428 -16.834 10.049 1.00 0.00 C ATOM 620 O ARG A 42 -1.384 -17.813 10.793 1.00 0.00 O ATOM 621 CB ARG A 42 -2.176 -14.528 10.664 1.00 0.00 C ATOM 622 CG ARG A 42 -1.808 -13.112 11.078 1.00 0.00 C ATOM 623 CD ARG A 42 -2.264 -12.811 12.498 1.00 0.00 C ATOM 624 NE ARG A 42 -2.226 -11.382 12.793 1.00 0.00 N ATOM 625 CZ ARG A 42 -1.107 -10.714 13.054 1.00 0.00 C ATOM 626 NH1 ARG A 42 0.059 -11.344 13.055 1.00 0.00 N ATOM 627 NH2 ARG A 42 -1.154 -9.414 13.313 1.00 0.00 N ATOM 0 H ARG A 42 -0.363 -14.241 8.945 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.507 -15.579 11.516 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.701 -14.494 9.709 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.871 -14.942 11.395 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.729 -12.979 11.005 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.264 -12.400 10.390 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.278 -13.184 12.640 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.627 -13.344 13.204 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.107 -10.868 12.799 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.099 -12.343 12.855 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.917 -10.829 13.256 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.050 -8.926 13.312 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.295 -8.902 13.513 1.00 0.00 H new ATOM 641 N GLN A 43 -1.866 -16.895 8.795 1.00 0.00 N ATOM 642 CA GLN A 43 -2.331 -18.147 8.209 1.00 0.00 C ATOM 643 C GLN A 43 -1.296 -19.252 8.394 1.00 0.00 C ATOM 644 O GLN A 43 -1.621 -20.353 8.839 1.00 0.00 O ATOM 645 CB GLN A 43 -2.631 -17.957 6.722 1.00 0.00 C ATOM 646 CG GLN A 43 -4.107 -18.081 6.378 1.00 0.00 C ATOM 647 CD GLN A 43 -4.358 -19.016 5.212 1.00 0.00 C ATOM 648 OE1 GLN A 43 -4.066 -20.210 5.284 1.00 0.00 O ATOM 649 NE2 GLN A 43 -4.904 -18.478 4.128 1.00 0.00 N ATOM 0 H GLN A 43 -1.909 -16.093 8.166 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.246 -18.442 8.723 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.275 -16.975 6.411 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.070 -18.695 6.149 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -4.651 -18.441 7.251 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.505 -17.095 6.140 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -5.130 -17.484 4.111 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -5.097 -19.059 3.312 1.00 0.00 H new ATOM 658 N LYS A 44 -0.049 -18.951 8.050 1.00 0.00 N ATOM 659 CA LYS A 44 1.035 -19.918 8.179 1.00 0.00 C ATOM 660 C LYS A 44 1.139 -20.432 9.611 1.00 0.00 C ATOM 661 O LYS A 44 1.630 -21.535 9.850 1.00 0.00 O ATOM 662 CB LYS A 44 2.363 -19.287 7.755 1.00 0.00 C ATOM 663 CG LYS A 44 2.842 -18.191 8.691 1.00 0.00 C ATOM 664 CD LYS A 44 4.092 -18.610 9.446 1.00 0.00 C ATOM 665 CE LYS A 44 5.348 -18.365 8.623 1.00 0.00 C ATOM 666 NZ LYS A 44 6.439 -17.767 9.441 1.00 0.00 N ATOM 0 H LYS A 44 0.237 -18.045 7.679 1.00 0.00 H new ATOM 0 HA LYS A 44 0.815 -20.761 7.524 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.124 -20.065 7.701 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.256 -18.875 6.752 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.048 -17.286 8.119 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.052 -17.946 9.401 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.156 -18.056 10.383 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.025 -19.667 9.704 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.690 -19.307 8.194 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.113 -17.702 7.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.277 -17.615 8.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.122 -16.856 9.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.681 -18.411 10.221 1.00 0.00 H new ATOM 680 N ARG A 45 0.672 -19.627 10.559 1.00 0.00 N ATOM 681 CA ARG A 45 0.712 -20.001 11.968 1.00 0.00 C ATOM 682 C ARG A 45 -0.676 -20.389 12.467 1.00 0.00 C ATOM 683 O ARG A 45 -0.969 -20.292 13.659 1.00 0.00 O ATOM 684 CB ARG A 45 1.264 -18.847 12.808 1.00 0.00 C ATOM 685 CG ARG A 45 2.775 -18.706 12.730 1.00 0.00 C ATOM 686 CD ARG A 45 3.461 -19.421 13.884 1.00 0.00 C ATOM 687 NE ARG A 45 4.233 -18.501 14.716 1.00 0.00 N ATOM 688 CZ ARG A 45 4.831 -18.859 15.847 1.00 0.00 C ATOM 689 NH1 ARG A 45 4.746 -20.110 16.278 1.00 0.00 N ATOM 690 NH2 ARG A 45 5.515 -17.965 16.549 1.00 0.00 N ATOM 0 H ARG A 45 0.261 -18.711 10.377 1.00 0.00 H new ATOM 0 HA ARG A 45 1.370 -20.864 12.071 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.803 -17.916 12.478 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.975 -18.995 13.848 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.131 -19.114 11.784 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.044 -17.650 12.743 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.712 -19.922 14.497 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.121 -20.195 13.491 1.00 0.00 H new ATOM 0 HE ARG A 45 4.317 -17.531 14.412 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.221 -20.800 15.741 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.206 -20.383 17.147 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.582 -17.002 16.221 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.974 -18.241 17.417 1.00 0.00 H new ATOM 704 N LYS A 46 -1.528 -20.830 11.547 1.00 0.00 N ATOM 705 CA LYS A 46 -2.886 -21.235 11.893 1.00 0.00 C ATOM 706 C LYS A 46 -3.592 -20.144 12.693 1.00 0.00 C ATOM 707 O LYS A 46 -4.252 -20.423 13.694 1.00 0.00 O ATOM 708 CB LYS A 46 -2.863 -22.537 12.695 1.00 0.00 C ATOM 709 CG LYS A 46 -2.248 -23.705 11.943 1.00 0.00 C ATOM 710 CD LYS A 46 -1.082 -24.309 12.708 1.00 0.00 C ATOM 711 CE LYS A 46 -0.351 -25.353 11.878 1.00 0.00 C ATOM 712 NZ LYS A 46 -0.799 -26.734 12.205 1.00 0.00 N ATOM 0 H LYS A 46 -1.302 -20.916 10.556 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.438 -21.396 10.967 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.305 -22.376 13.617 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.883 -22.796 12.980 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.007 -24.469 11.772 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.907 -23.369 10.964 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.387 -23.520 12.996 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.447 -24.765 13.629 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.519 -25.158 10.819 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.722 -25.269 12.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.277 -27.416 11.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.615 -26.930 13.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.818 -26.822 12.016 1.00 0.00 H new ATOM 726 N LYS A 47 -3.449 -18.902 12.244 1.00 0.00 N ATOM 727 CA LYS A 47 -4.075 -17.769 12.916 1.00 0.00 C ATOM 728 C LYS A 47 -5.019 -17.030 11.972 1.00 0.00 C ATOM 729 O LYS A 47 -5.200 -17.428 10.821 1.00 0.00 O ATOM 730 CB LYS A 47 -3.007 -16.808 13.442 1.00 0.00 C ATOM 731 CG LYS A 47 -2.845 -16.845 14.952 1.00 0.00 C ATOM 732 CD LYS A 47 -2.066 -15.643 15.459 1.00 0.00 C ATOM 733 CE LYS A 47 -0.754 -16.061 16.104 1.00 0.00 C ATOM 734 NZ LYS A 47 -0.888 -16.226 17.578 1.00 0.00 N ATOM 0 H LYS A 47 -2.905 -18.654 11.418 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.655 -18.152 13.755 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.052 -17.050 12.977 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.262 -15.793 13.137 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.827 -16.868 15.424 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.331 -17.761 15.241 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.865 -14.963 14.631 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.670 -15.095 16.182 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.415 -16.998 15.663 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.010 -15.314 15.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.028 -16.511 17.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.187 -15.325 18.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.599 -16.957 17.782 1.00 0.00 H new ATOM 748 N LYS A 48 -5.617 -15.951 12.466 1.00 0.00 N ATOM 749 CA LYS A 48 -6.540 -15.154 11.667 1.00 0.00 C ATOM 750 C LYS A 48 -6.160 -13.678 11.708 1.00 0.00 C ATOM 751 O LYS A 48 -5.628 -13.192 12.706 1.00 0.00 O ATOM 752 CB LYS A 48 -7.973 -15.338 12.171 1.00 0.00 C ATOM 753 CG LYS A 48 -8.261 -14.601 13.467 1.00 0.00 C ATOM 754 CD LYS A 48 -9.068 -15.457 14.428 1.00 0.00 C ATOM 755 CE LYS A 48 -8.204 -16.522 15.087 1.00 0.00 C ATOM 756 NZ LYS A 48 -9.026 -17.592 15.716 1.00 0.00 N ATOM 0 H LYS A 48 -5.479 -15.608 13.417 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.478 -15.498 10.635 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.666 -14.992 11.404 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.164 -16.401 12.317 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.322 -14.311 13.938 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.806 -13.682 13.251 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.514 -14.823 15.195 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.888 -15.933 13.891 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.541 -16.963 14.343 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.570 -16.059 15.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.400 -18.298 16.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.641 -17.175 16.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.612 -18.052 14.990 1.00 0.00 H new ATOM 770 N ALA A 49 -6.439 -12.969 10.619 1.00 0.00 N ATOM 771 CA ALA A 49 -6.130 -11.547 10.533 1.00 0.00 C ATOM 772 C ALA A 49 -7.158 -10.715 11.292 1.00 0.00 C ATOM 773 O ALA A 49 -8.327 -10.656 10.911 1.00 0.00 O ATOM 774 CB ALA A 49 -6.063 -11.108 9.078 1.00 0.00 C ATOM 0 H ALA A 49 -6.879 -13.356 9.784 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.156 -11.384 10.995 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.832 -10.044 9.029 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.286 -11.672 8.563 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.024 -11.293 8.598 1.00 0.00 H new ATOM 780 N TYR A 50 -6.715 -10.073 12.368 1.00 0.00 N ATOM 781 CA TYR A 50 -7.598 -9.247 13.182 1.00 0.00 C ATOM 782 C TYR A 50 -7.180 -7.781 13.123 1.00 0.00 C ATOM 783 O TYR A 50 -6.022 -7.463 12.849 1.00 0.00 O ATOM 784 CB TYR A 50 -7.591 -9.732 14.633 1.00 0.00 C ATOM 785 CG TYR A 50 -6.207 -10.022 15.168 1.00 0.00 C ATOM 786 CD1 TYR A 50 -5.445 -9.022 15.758 1.00 0.00 C ATOM 787 CD2 TYR A 50 -5.662 -11.298 15.084 1.00 0.00 C ATOM 788 CE1 TYR A 50 -4.180 -9.283 16.248 1.00 0.00 C ATOM 789 CE2 TYR A 50 -4.398 -11.568 15.572 1.00 0.00 C ATOM 790 CZ TYR A 50 -3.661 -10.557 16.152 1.00 0.00 C ATOM 791 OH TYR A 50 -2.402 -10.821 16.640 1.00 0.00 O ATOM 0 H TYR A 50 -5.750 -10.109 12.696 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.608 -9.335 12.781 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -8.064 -8.977 15.262 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.197 -10.635 14.708 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.848 -8.023 15.835 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.236 -12.092 14.630 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.601 -8.494 16.704 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.989 -12.565 15.500 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.187 -11.766 16.495 1.00 0.00 H new ATOM 801 N CYS A 51 -8.131 -6.890 13.382 1.00 0.00 N ATOM 802 CA CYS A 51 -7.865 -5.457 13.359 1.00 0.00 C ATOM 803 C CYS A 51 -6.648 -5.116 14.214 1.00 0.00 C ATOM 804 O CYS A 51 -6.712 -5.084 15.444 1.00 0.00 O ATOM 805 CB CYS A 51 -9.086 -4.682 13.857 1.00 0.00 C ATOM 806 SG CYS A 51 -10.071 -3.914 12.531 1.00 0.00 S ATOM 0 H CYS A 51 -9.094 -7.136 13.611 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.656 -5.168 12.329 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -9.725 -5.358 14.425 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -8.754 -3.905 14.545 1.00 0.00 H new ATOM 811 N PRO A 52 -5.513 -4.855 13.551 1.00 0.00 N ATOM 812 CA PRO A 52 -4.260 -4.511 14.230 1.00 0.00 C ATOM 813 C PRO A 52 -4.313 -3.132 14.880 1.00 0.00 C ATOM 814 O PRO A 52 -3.461 -2.791 15.700 1.00 0.00 O ATOM 815 CB PRO A 52 -3.227 -4.530 13.101 1.00 0.00 C ATOM 816 CG PRO A 52 -4.012 -4.255 11.865 1.00 0.00 C ATOM 817 CD PRO A 52 -5.364 -4.874 12.086 1.00 0.00 C ATOM 0 HA PRO A 52 -4.035 -5.201 15.043 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.456 -3.775 13.257 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.722 -5.494 13.043 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.098 -3.183 11.688 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.525 -4.684 10.990 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.152 -4.304 11.595 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.411 -5.889 11.691 1.00 0.00 H new ATOM 825 N GLN A 53 -5.318 -2.346 14.508 1.00 0.00 N ATOM 826 CA GLN A 53 -5.480 -1.004 15.056 1.00 0.00 C ATOM 827 C GLN A 53 -5.755 -1.058 16.555 1.00 0.00 C ATOM 828 O GLN A 53 -6.862 -1.388 16.981 1.00 0.00 O ATOM 829 CB GLN A 53 -6.618 -0.274 14.342 1.00 0.00 C ATOM 830 CG GLN A 53 -6.371 1.216 14.169 1.00 0.00 C ATOM 831 CD GLN A 53 -5.157 1.511 13.310 1.00 0.00 C ATOM 832 OE1 GLN A 53 -5.090 1.104 12.150 1.00 0.00 O ATOM 833 NE2 GLN A 53 -4.189 2.221 13.876 1.00 0.00 N ATOM 0 H GLN A 53 -6.032 -2.615 13.830 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.550 -0.458 14.896 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.769 -0.725 13.361 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.540 -0.418 14.905 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.250 1.676 13.719 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.238 1.674 15.149 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.286 2.538 14.841 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.348 2.450 13.346 1.00 0.00 H new ATOM 842 N ILE A 54 -4.742 -0.732 17.350 1.00 0.00 N ATOM 843 CA ILE A 54 -4.875 -0.742 18.801 1.00 0.00 C ATOM 844 C ILE A 54 -6.092 0.061 19.247 1.00 0.00 C ATOM 845 O ILE A 54 -6.090 1.290 19.195 1.00 0.00 O ATOM 846 CB ILE A 54 -3.619 -0.173 19.487 1.00 0.00 C ATOM 847 CG1 ILE A 54 -2.363 -0.871 18.959 1.00 0.00 C ATOM 848 CG2 ILE A 54 -3.723 -0.329 20.996 1.00 0.00 C ATOM 849 CD1 ILE A 54 -1.405 0.063 18.253 1.00 0.00 C ATOM 0 H ILE A 54 -3.819 -0.457 17.013 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.000 -1.783 19.098 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.546 0.890 19.256 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.845 -1.349 19.791 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.659 -1.663 18.271 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.828 0.078 21.466 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.599 0.209 21.358 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.816 -1.386 21.247 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.538 -0.499 17.905 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.906 0.522 17.400 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.080 0.841 18.944 1.00 0.00 H new ATOM 861 N GLY A 55 -7.131 -0.642 19.688 1.00 0.00 N ATOM 862 CA GLY A 55 -8.340 0.022 20.138 1.00 0.00 C ATOM 863 C GLY A 55 -9.594 -0.604 19.562 1.00 0.00 C ATOM 864 O GLY A 55 -10.686 -0.437 20.107 1.00 0.00 O ATOM 0 H GLY A 55 -7.157 -1.660 19.742 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.387 -0.014 21.226 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.300 1.074 19.855 1.00 0.00 H new ATOM 868 N CYS A 56 -9.440 -1.324 18.457 1.00 0.00 N ATOM 869 CA CYS A 56 -10.570 -1.976 17.804 1.00 0.00 C ATOM 870 C CYS A 56 -10.885 -3.312 18.470 1.00 0.00 C ATOM 871 O CYS A 56 -10.016 -3.934 19.081 1.00 0.00 O ATOM 872 CB CYS A 56 -10.273 -2.191 16.319 1.00 0.00 C ATOM 873 SG CYS A 56 -11.749 -2.156 15.253 1.00 0.00 S ATOM 0 H CYS A 56 -8.543 -1.471 17.994 1.00 0.00 H new ATOM 0 HA CYS A 56 -11.440 -1.326 17.903 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -9.577 -1.422 15.984 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -9.771 -3.151 16.195 1.00 0.00 H new ATOM 878 N SER A 57 -12.135 -3.748 18.347 1.00 0.00 N ATOM 879 CA SER A 57 -12.567 -5.008 18.939 1.00 0.00 C ATOM 880 C SER A 57 -12.705 -6.091 17.872 1.00 0.00 C ATOM 881 O SER A 57 -12.604 -7.283 18.164 1.00 0.00 O ATOM 882 CB SER A 57 -13.899 -4.823 19.669 1.00 0.00 C ATOM 883 OG SER A 57 -13.716 -4.837 21.074 1.00 0.00 O ATOM 0 H SER A 57 -12.866 -3.247 17.842 1.00 0.00 H new ATOM 0 HA SER A 57 -11.809 -5.323 19.656 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.355 -3.880 19.368 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.589 -5.616 19.381 1.00 0.00 H new ATOM 0 HG SER A 57 -14.581 -4.715 21.518 1.00 0.00 H new ATOM 889 N HIS A 58 -12.937 -5.666 16.634 1.00 0.00 N ATOM 890 CA HIS A 58 -13.089 -6.598 15.522 1.00 0.00 C ATOM 891 C HIS A 58 -11.902 -7.554 15.449 1.00 0.00 C ATOM 892 O HIS A 58 -10.812 -7.246 15.932 1.00 0.00 O ATOM 893 CB HIS A 58 -13.226 -5.835 14.205 1.00 0.00 C ATOM 894 CG HIS A 58 -13.814 -6.654 13.097 1.00 0.00 C ATOM 895 ND1 HIS A 58 -15.042 -7.274 13.189 1.00 0.00 N ATOM 896 CD2 HIS A 58 -13.335 -6.952 11.866 1.00 0.00 C ATOM 897 CE1 HIS A 58 -15.292 -7.919 12.063 1.00 0.00 C ATOM 898 NE2 HIS A 58 -14.272 -7.739 11.244 1.00 0.00 N ATOM 0 H HIS A 58 -13.024 -4.683 16.376 1.00 0.00 H new ATOM 0 HA HIS A 58 -13.994 -7.182 15.690 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -13.850 -4.956 14.367 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -12.243 -5.476 13.899 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -15.661 -7.240 13.999 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -12.391 -6.630 11.451 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -16.180 -8.495 11.849 1.00 0.00 H new ATOM 906 N THR A 59 -12.120 -8.716 14.841 1.00 0.00 N ATOM 907 CA THR A 59 -11.070 -9.717 14.706 1.00 0.00 C ATOM 908 C THR A 59 -11.322 -10.620 13.504 1.00 0.00 C ATOM 909 O THR A 59 -11.032 -11.816 13.542 1.00 0.00 O ATOM 910 CB THR A 59 -10.957 -10.587 15.973 1.00 0.00 C ATOM 911 OG1 THR A 59 -12.262 -10.958 16.430 1.00 0.00 O ATOM 912 CG2 THR A 59 -10.220 -9.844 17.076 1.00 0.00 C ATOM 0 H THR A 59 -13.015 -8.987 14.434 1.00 0.00 H new ATOM 0 HA THR A 59 -10.135 -9.176 14.561 1.00 0.00 H new ATOM 0 HB THR A 59 -10.392 -11.484 15.722 1.00 0.00 H new ATOM 0 HG1 THR A 59 -12.182 -11.512 17.234 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.153 -10.478 17.960 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.217 -9.589 16.735 1.00 0.00 H new ATOM 0 HG23 THR A 59 -10.762 -8.931 17.325 1.00 0.00 H new ATOM 920 N ASP A 60 -11.863 -10.041 12.438 1.00 0.00 N ATOM 921 CA ASP A 60 -12.153 -10.793 11.223 1.00 0.00 C ATOM 922 C ASP A 60 -11.775 -9.989 9.983 1.00 0.00 C ATOM 923 O ASP A 60 -12.523 -9.113 9.547 1.00 0.00 O ATOM 924 CB ASP A 60 -13.635 -11.168 11.171 1.00 0.00 C ATOM 925 CG ASP A 60 -13.849 -12.654 10.962 1.00 0.00 C ATOM 926 OD1 ASP A 60 -13.083 -13.451 11.543 1.00 0.00 O ATOM 927 OD2 ASP A 60 -14.784 -13.020 10.220 1.00 0.00 O ATOM 0 H ASP A 60 -12.110 -9.052 12.391 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.556 -11.705 11.239 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.117 -10.861 12.099 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.118 -10.617 10.364 1.00 0.00 H new ATOM 932 N ILE A 61 -10.610 -10.292 9.421 1.00 0.00 N ATOM 933 CA ILE A 61 -10.133 -9.598 8.231 1.00 0.00 C ATOM 934 C ILE A 61 -9.769 -10.585 7.127 1.00 0.00 C ATOM 935 O ILE A 61 -9.063 -11.565 7.364 1.00 0.00 O ATOM 936 CB ILE A 61 -8.906 -8.721 8.545 1.00 0.00 C ATOM 937 CG1 ILE A 61 -9.248 -7.696 9.627 1.00 0.00 C ATOM 938 CG2 ILE A 61 -8.416 -8.026 7.284 1.00 0.00 C ATOM 939 CD1 ILE A 61 -8.059 -6.878 10.082 1.00 0.00 C ATOM 0 H ILE A 61 -9.979 -11.013 9.770 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.948 -8.960 7.890 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.106 -9.361 8.918 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -10.018 -7.024 9.249 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.672 -8.215 10.487 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.549 -7.410 7.522 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.138 -8.774 6.541 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.210 -7.396 6.884 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.375 -6.172 10.850 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.296 -7.541 10.491 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.648 -6.331 9.234 1.00 0.00 H new ATOM 951 N ARG A 62 -10.255 -10.318 5.919 1.00 0.00 N ATOM 952 CA ARG A 62 -9.981 -11.183 4.777 1.00 0.00 C ATOM 953 C ARG A 62 -9.344 -10.393 3.638 1.00 0.00 C ATOM 954 O ARG A 62 -9.719 -9.251 3.374 1.00 0.00 O ATOM 955 CB ARG A 62 -11.271 -11.847 4.292 1.00 0.00 C ATOM 956 CG ARG A 62 -12.018 -12.597 5.384 1.00 0.00 C ATOM 957 CD ARG A 62 -13.409 -13.006 4.927 1.00 0.00 C ATOM 958 NE ARG A 62 -13.442 -14.381 4.435 1.00 0.00 N ATOM 959 CZ ARG A 62 -14.564 -15.048 4.190 1.00 0.00 C ATOM 960 NH1 ARG A 62 -15.740 -14.469 4.391 1.00 0.00 N ATOM 961 NH2 ARG A 62 -14.512 -16.296 3.744 1.00 0.00 N ATOM 0 H ARG A 62 -10.840 -9.510 5.706 1.00 0.00 H new ATOM 0 HA ARG A 62 -9.281 -11.955 5.097 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -11.927 -11.084 3.873 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -11.032 -12.540 3.485 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -11.452 -13.484 5.670 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -12.095 -11.968 6.271 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -14.108 -12.901 5.756 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -13.745 -12.331 4.140 1.00 0.00 H new ATOM 0 HE ARG A 62 -12.554 -14.855 4.270 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -15.784 -13.510 4.734 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -16.600 -14.983 4.202 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -13.609 -16.745 3.589 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -15.375 -16.807 3.556 1.00 0.00 H new ATOM 975 N LYS A 63 -8.377 -11.009 2.966 1.00 0.00 N ATOM 976 CA LYS A 63 -7.687 -10.366 1.855 1.00 0.00 C ATOM 977 C LYS A 63 -8.678 -9.917 0.785 1.00 0.00 C ATOM 978 O LYS A 63 -8.411 -8.981 0.032 1.00 0.00 O ATOM 979 CB LYS A 63 -6.659 -11.321 1.244 1.00 0.00 C ATOM 980 CG LYS A 63 -5.531 -10.614 0.513 1.00 0.00 C ATOM 981 CD LYS A 63 -4.709 -11.586 -0.317 1.00 0.00 C ATOM 982 CE LYS A 63 -3.898 -12.524 0.565 1.00 0.00 C ATOM 983 NZ LYS A 63 -3.600 -13.811 -0.122 1.00 0.00 N ATOM 0 H LYS A 63 -8.053 -11.954 3.172 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.172 -9.486 2.241 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.236 -11.940 2.035 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.166 -11.992 0.550 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.944 -9.840 -0.134 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.885 -10.114 1.235 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.371 -12.169 -0.958 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.038 -11.030 -0.972 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.964 -12.039 0.849 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.447 -12.722 1.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.046 -14.422 0.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.491 -14.286 -0.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.054 -13.624 -0.987 1.00 0.00 H new ATOM 997 N SER A 64 -9.823 -10.590 0.726 1.00 0.00 N ATOM 998 CA SER A 64 -10.852 -10.262 -0.253 1.00 0.00 C ATOM 999 C SER A 64 -11.553 -8.957 0.113 1.00 0.00 C ATOM 1000 O SER A 64 -12.111 -8.277 -0.749 1.00 0.00 O ATOM 1001 CB SER A 64 -11.876 -11.395 -0.346 1.00 0.00 C ATOM 1002 OG SER A 64 -12.782 -11.177 -1.414 1.00 0.00 O ATOM 0 H SER A 64 -10.061 -11.365 1.345 1.00 0.00 H new ATOM 0 HA SER A 64 -10.370 -10.136 -1.223 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.360 -12.344 -0.490 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.426 -11.470 0.592 1.00 0.00 H new ATOM 0 HG SER A 64 -13.425 -11.915 -1.453 1.00 0.00 H new ATOM 1008 N ASP A 65 -11.518 -8.613 1.395 1.00 0.00 N ATOM 1009 CA ASP A 65 -12.149 -7.389 1.876 1.00 0.00 C ATOM 1010 C ASP A 65 -11.134 -6.253 1.960 1.00 0.00 C ATOM 1011 O ASP A 65 -11.308 -5.306 2.729 1.00 0.00 O ATOM 1012 CB ASP A 65 -12.785 -7.623 3.247 1.00 0.00 C ATOM 1013 CG ASP A 65 -14.204 -8.148 3.144 1.00 0.00 C ATOM 1014 OD1 ASP A 65 -14.392 -9.241 2.571 1.00 0.00 O ATOM 1015 OD2 ASP A 65 -15.126 -7.466 3.639 1.00 0.00 O ATOM 0 H ASP A 65 -11.059 -9.164 2.120 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.927 -7.107 1.167 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.178 -8.332 3.810 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.786 -6.689 3.808 1.00 0.00 H new ATOM 1020 N LEU A 66 -10.075 -6.353 1.165 1.00 0.00 N ATOM 1021 CA LEU A 66 -9.031 -5.333 1.149 1.00 0.00 C ATOM 1022 C LEU A 66 -9.071 -4.533 -0.149 1.00 0.00 C ATOM 1023 O LEU A 66 -9.000 -5.098 -1.241 1.00 0.00 O ATOM 1024 CB LEU A 66 -7.656 -5.981 1.320 1.00 0.00 C ATOM 1025 CG LEU A 66 -7.353 -6.557 2.703 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -5.990 -7.233 2.713 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -7.417 -5.466 3.762 1.00 0.00 C ATOM 0 H LEU A 66 -9.916 -7.129 0.523 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.211 -4.651 1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.560 -6.781 0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -6.894 -5.238 1.083 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.109 -7.306 2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.792 -7.637 3.706 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.980 -8.042 1.983 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.221 -6.504 2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.199 -5.895 4.740 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.684 -4.693 3.533 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.415 -5.028 3.773 1.00 0.00 H new ATOM 1039 N ILE A 67 -9.184 -3.215 -0.022 1.00 0.00 N ATOM 1040 CA ILE A 67 -9.230 -2.337 -1.185 1.00 0.00 C ATOM 1041 C ILE A 67 -8.233 -1.191 -1.047 1.00 0.00 C ATOM 1042 O ILE A 67 -7.791 -0.869 0.055 1.00 0.00 O ATOM 1043 CB ILE A 67 -10.640 -1.755 -1.395 1.00 0.00 C ATOM 1044 CG1 ILE A 67 -11.176 -1.175 -0.085 1.00 0.00 C ATOM 1045 CG2 ILE A 67 -11.580 -2.824 -1.932 1.00 0.00 C ATOM 1046 CD1 ILE A 67 -12.476 -0.418 -0.247 1.00 0.00 C ATOM 0 H ILE A 67 -9.245 -2.732 0.874 1.00 0.00 H new ATOM 0 HA ILE A 67 -8.965 -2.944 -2.051 1.00 0.00 H new ATOM 0 HB ILE A 67 -10.580 -0.951 -2.128 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.323 -1.986 0.629 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -10.427 -0.508 0.341 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -12.573 -2.397 -2.075 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -11.203 -3.194 -2.885 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -11.638 -3.648 -1.221 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -12.797 -0.035 0.722 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -12.329 0.414 -0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -13.240 -1.087 -0.644 1.00 0.00 H new ATOM 1058 N GLN A 68 -7.887 -0.577 -2.174 1.00 0.00 N ATOM 1059 CA GLN A 68 -6.944 0.535 -2.179 1.00 0.00 C ATOM 1060 C GLN A 68 -7.670 1.865 -2.015 1.00 0.00 C ATOM 1061 O GLN A 68 -8.369 2.318 -2.922 1.00 0.00 O ATOM 1062 CB GLN A 68 -6.134 0.539 -3.477 1.00 0.00 C ATOM 1063 CG GLN A 68 -5.491 -0.801 -3.798 1.00 0.00 C ATOM 1064 CD GLN A 68 -4.635 -0.753 -5.048 1.00 0.00 C ATOM 1065 OE1 GLN A 68 -4.900 0.023 -5.966 1.00 0.00 O ATOM 1066 NE2 GLN A 68 -3.601 -1.585 -5.090 1.00 0.00 N ATOM 0 H GLN A 68 -8.245 -0.831 -3.095 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.265 0.406 -1.336 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.786 0.826 -4.302 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -5.355 1.299 -3.407 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -4.878 -1.117 -2.954 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.270 -1.553 -3.925 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.418 -2.211 -4.306 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -2.989 -1.598 -5.906 1.00 0.00 H new ATOM 1075 N ASP A 69 -7.501 2.486 -0.853 1.00 0.00 N ATOM 1076 CA ASP A 69 -8.140 3.766 -0.570 1.00 0.00 C ATOM 1077 C ASP A 69 -7.475 4.892 -1.355 1.00 0.00 C ATOM 1078 O ASP A 69 -6.282 5.151 -1.197 1.00 0.00 O ATOM 1079 CB ASP A 69 -8.082 4.069 0.928 1.00 0.00 C ATOM 1080 CG ASP A 69 -9.157 5.045 1.364 1.00 0.00 C ATOM 1081 OD1 ASP A 69 -10.221 5.086 0.711 1.00 0.00 O ATOM 1082 OD2 ASP A 69 -8.935 5.767 2.358 1.00 0.00 O ATOM 0 H ASP A 69 -6.927 2.124 -0.092 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.183 3.699 -0.880 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.190 3.140 1.488 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.102 4.478 1.175 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.254 5.556 -2.203 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.739 6.653 -3.014 1.00 0.00 C ATOM 1089 C GLU A 70 -7.677 7.946 -2.206 1.00 0.00 C ATOM 1090 O GLU A 70 -6.689 8.677 -2.259 1.00 0.00 O ATOM 1091 CB GLU A 70 -8.613 6.854 -4.254 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.836 6.822 -5.559 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.732 6.629 -6.767 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.225 5.499 -6.964 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -8.940 7.607 -7.514 1.00 0.00 O ATOM 0 H GLU A 70 -9.243 5.354 -2.346 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.728 6.394 -3.329 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.379 6.079 -4.278 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.130 7.810 -4.172 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.280 7.753 -5.669 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.104 6.015 -5.522 1.00 0.00 H new ATOM 1102 N ALA A 71 -8.741 8.221 -1.459 1.00 0.00 N ATOM 1103 CA ALA A 71 -8.808 9.424 -0.638 1.00 0.00 C ATOM 1104 C ALA A 71 -7.574 9.553 0.248 1.00 0.00 C ATOM 1105 O ALA A 71 -7.101 10.659 0.514 1.00 0.00 O ATOM 1106 CB ALA A 71 -10.071 9.414 0.210 1.00 0.00 C ATOM 0 H ALA A 71 -9.569 7.627 -1.405 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.837 10.287 -1.303 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.108 10.318 0.818 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.945 9.378 -0.440 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -10.066 8.539 0.860 1.00 0.00 H new ATOM 1112 N LEU A 72 -7.057 8.418 0.704 1.00 0.00 N ATOM 1113 CA LEU A 72 -5.877 8.404 1.562 1.00 0.00 C ATOM 1114 C LEU A 72 -4.599 8.409 0.730 1.00 0.00 C ATOM 1115 O LEU A 72 -3.595 9.005 1.120 1.00 0.00 O ATOM 1116 CB LEU A 72 -5.900 7.177 2.475 1.00 0.00 C ATOM 1117 CG LEU A 72 -5.314 7.370 3.874 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -6.083 8.442 4.631 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -5.327 6.058 4.643 1.00 0.00 C ATOM 0 H LEU A 72 -7.436 7.495 0.494 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.893 9.305 2.175 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.933 6.845 2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.355 6.372 1.982 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.279 7.698 3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.652 8.566 5.625 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.021 9.385 4.089 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.127 8.144 4.723 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.906 6.214 5.636 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.353 5.701 4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.731 5.317 4.109 1.00 0.00 H new ATOM 1131 N ARG A 73 -4.644 7.743 -0.420 1.00 0.00 N ATOM 1132 CA ARG A 73 -3.490 7.672 -1.308 1.00 0.00 C ATOM 1133 C ARG A 73 -3.033 9.068 -1.719 1.00 0.00 C ATOM 1134 O ARG A 73 -1.879 9.441 -1.510 1.00 0.00 O ATOM 1135 CB ARG A 73 -3.827 6.847 -2.551 1.00 0.00 C ATOM 1136 CG ARG A 73 -3.310 5.419 -2.494 1.00 0.00 C ATOM 1137 CD ARG A 73 -2.340 5.131 -3.629 1.00 0.00 C ATOM 1138 NE ARG A 73 -2.975 5.261 -4.938 1.00 0.00 N ATOM 1139 CZ ARG A 73 -3.732 4.316 -5.484 1.00 0.00 C ATOM 1140 NH1 ARG A 73 -3.947 3.178 -4.838 1.00 0.00 N ATOM 1141 NH2 ARG A 73 -4.275 4.508 -6.679 1.00 0.00 N ATOM 0 H ARG A 73 -5.467 7.245 -0.758 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.677 7.187 -0.768 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.909 6.828 -2.681 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.409 7.341 -3.428 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.814 5.248 -1.538 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.149 4.725 -2.546 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.495 5.817 -3.566 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.941 4.123 -3.518 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.829 6.124 -5.461 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.531 3.027 -3.919 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.529 2.454 -5.260 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.111 5.382 -7.179 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.856 3.782 -7.098 1.00 0.00 H new ATOM 1155 N ARG A 74 -3.947 9.836 -2.304 1.00 0.00 N ATOM 1156 CA ARG A 74 -3.637 11.190 -2.746 1.00 0.00 C ATOM 1157 C ARG A 74 -3.242 12.071 -1.564 1.00 0.00 C ATOM 1158 O ARG A 74 -2.492 13.034 -1.719 1.00 0.00 O ATOM 1159 CB ARG A 74 -4.838 11.800 -3.471 1.00 0.00 C ATOM 1160 CG ARG A 74 -4.935 11.399 -4.934 1.00 0.00 C ATOM 1161 CD ARG A 74 -6.378 11.390 -5.415 1.00 0.00 C ATOM 1162 NE ARG A 74 -6.469 11.399 -6.872 1.00 0.00 N ATOM 1163 CZ ARG A 74 -6.184 12.459 -7.620 1.00 0.00 C ATOM 1164 NH1 ARG A 74 -5.791 13.590 -7.051 1.00 0.00 N ATOM 1165 NH2 ARG A 74 -6.291 12.388 -8.941 1.00 0.00 N ATOM 0 H ARG A 74 -4.908 9.543 -2.483 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.794 11.136 -3.435 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.752 11.499 -2.959 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.779 12.886 -3.404 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.352 12.091 -5.542 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.499 10.410 -5.071 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.884 10.507 -5.026 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.899 12.259 -5.014 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.768 10.544 -7.341 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.707 13.648 -6.036 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -5.573 14.402 -7.628 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.592 11.519 -9.382 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.072 13.202 -9.515 1.00 0.00 H new ATOM 1179 N ALA A 75 -3.752 11.733 -0.385 1.00 0.00 N ATOM 1180 CA ALA A 75 -3.451 12.491 0.823 1.00 0.00 C ATOM 1181 C ALA A 75 -1.975 12.377 1.190 1.00 0.00 C ATOM 1182 O ALA A 75 -1.283 13.385 1.335 1.00 0.00 O ATOM 1183 CB ALA A 75 -4.322 12.014 1.977 1.00 0.00 C ATOM 0 H ALA A 75 -4.376 10.939 -0.240 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.670 13.541 0.627 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.086 12.589 2.873 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.372 12.154 1.722 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.132 10.957 2.164 1.00 0.00 H new ATOM 1189 N ILE A 76 -1.501 11.145 1.338 1.00 0.00 N ATOM 1190 CA ILE A 76 -0.107 10.901 1.688 1.00 0.00 C ATOM 1191 C ILE A 76 0.835 11.580 0.699 1.00 0.00 C ATOM 1192 O ILE A 76 1.849 12.157 1.089 1.00 0.00 O ATOM 1193 CB ILE A 76 0.208 9.394 1.727 1.00 0.00 C ATOM 1194 CG1 ILE A 76 -0.700 8.687 2.736 1.00 0.00 C ATOM 1195 CG2 ILE A 76 1.672 9.167 2.075 1.00 0.00 C ATOM 1196 CD1 ILE A 76 -0.678 7.180 2.616 1.00 0.00 C ATOM 0 H ILE A 76 -2.061 10.301 1.221 1.00 0.00 H new ATOM 0 HA ILE A 76 0.047 11.322 2.681 1.00 0.00 H new ATOM 0 HB ILE A 76 0.020 8.973 0.739 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.396 8.968 3.745 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.723 9.039 2.601 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.879 8.097 2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.303 9.642 1.323 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.885 9.599 3.053 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.344 6.746 3.362 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.010 6.889 1.619 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.336 6.817 2.780 1.00 0.00 H new ATOM 1208 N GLU A 77 0.490 11.507 -0.583 1.00 0.00 N ATOM 1209 CA GLU A 77 1.305 12.115 -1.628 1.00 0.00 C ATOM 1210 C GLU A 77 1.381 13.629 -1.447 1.00 0.00 C ATOM 1211 O GLU A 77 2.361 14.262 -1.835 1.00 0.00 O ATOM 1212 CB GLU A 77 0.735 11.784 -3.009 1.00 0.00 C ATOM 1213 CG GLU A 77 1.387 10.578 -3.663 1.00 0.00 C ATOM 1214 CD GLU A 77 2.079 10.925 -4.968 1.00 0.00 C ATOM 1215 OE1 GLU A 77 2.865 11.894 -4.983 1.00 0.00 O ATOM 1216 OE2 GLU A 77 1.832 10.226 -5.973 1.00 0.00 O ATOM 0 H GLU A 77 -0.347 11.033 -0.922 1.00 0.00 H new ATOM 0 HA GLU A 77 2.312 11.706 -1.551 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.336 11.602 -2.917 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.856 12.650 -3.660 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.113 10.144 -2.975 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.630 9.816 -3.849 1.00 0.00 H new ATOM 1223 N ASN A 78 0.337 14.201 -0.856 1.00 0.00 N ATOM 1224 CA ASN A 78 0.284 15.640 -0.624 1.00 0.00 C ATOM 1225 C ASN A 78 1.390 16.078 0.330 1.00 0.00 C ATOM 1226 O ASN A 78 1.843 17.223 0.289 1.00 0.00 O ATOM 1227 CB ASN A 78 -1.081 16.036 -0.057 1.00 0.00 C ATOM 1228 CG ASN A 78 -1.689 17.218 -0.786 1.00 0.00 C ATOM 1229 OD1 ASN A 78 -2.080 18.209 -0.168 1.00 0.00 O ATOM 1230 ND2 ASN A 78 -1.773 17.119 -2.107 1.00 0.00 N ATOM 0 H ASN A 78 -0.483 13.690 -0.529 1.00 0.00 H new ATOM 0 HA ASN A 78 0.433 16.143 -1.580 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.759 15.185 -0.122 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -0.975 16.280 1.000 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -2.174 17.883 -2.651 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.436 16.279 -2.578 1.00 0.00 H new ATOM 1237 N HIS A 79 1.823 15.160 1.188 1.00 0.00 N ATOM 1238 CA HIS A 79 2.878 15.451 2.153 1.00 0.00 C ATOM 1239 C HIS A 79 4.248 15.094 1.583 1.00 0.00 C ATOM 1240 O HIS A 79 5.219 15.823 1.775 1.00 0.00 O ATOM 1241 CB HIS A 79 2.636 14.683 3.452 1.00 0.00 C ATOM 1242 CG HIS A 79 3.748 14.823 4.446 1.00 0.00 C ATOM 1243 ND1 HIS A 79 4.092 16.026 5.026 1.00 0.00 N ATOM 1244 CD2 HIS A 79 4.594 13.902 4.964 1.00 0.00 C ATOM 1245 CE1 HIS A 79 5.103 15.839 5.856 1.00 0.00 C ATOM 1246 NE2 HIS A 79 5.426 14.559 5.837 1.00 0.00 N ATOM 0 H HIS A 79 1.460 14.208 1.235 1.00 0.00 H new ATOM 0 HA HIS A 79 2.859 16.520 2.364 1.00 0.00 H new ATOM 0 HB2 HIS A 79 1.709 15.034 3.905 1.00 0.00 H new ATOM 0 HB3 HIS A 79 2.498 13.627 3.220 1.00 0.00 H new ATOM 0 HD2 HIS A 79 4.611 12.847 4.734 1.00 0.00 H new ATOM 0 HE1 HIS A 79 5.583 16.603 6.449 1.00 0.00 H new ATOM 0 HE2 HIS A 79 6.172 14.128 6.382 1.00 0.00 H new ATOM 1254 N ASN A 80 4.316 13.966 0.883 1.00 0.00 N ATOM 1255 CA ASN A 80 5.567 13.512 0.288 1.00 0.00 C ATOM 1256 C ASN A 80 6.100 14.537 -0.708 1.00 0.00 C ATOM 1257 O ASN A 80 7.311 14.709 -0.852 1.00 0.00 O ATOM 1258 CB ASN A 80 5.365 12.165 -0.410 1.00 0.00 C ATOM 1259 CG ASN A 80 4.789 11.114 0.519 1.00 0.00 C ATOM 1260 OD1 ASN A 80 3.820 10.434 0.181 1.00 0.00 O ATOM 1261 ND2 ASN A 80 5.385 10.976 1.698 1.00 0.00 N ATOM 0 H ASN A 80 3.520 13.351 0.714 1.00 0.00 H new ATOM 0 HA ASN A 80 6.298 13.394 1.088 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.699 12.297 -1.263 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.320 11.815 -0.802 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.042 10.285 2.365 1.00 0.00 H new ATOM 0 HD22 ASN A 80 6.186 11.561 1.936 1.00 0.00 H new ATOM 1268 N LYS A 81 5.188 15.218 -1.393 1.00 0.00 N ATOM 1269 CA LYS A 81 5.564 16.229 -2.374 1.00 0.00 C ATOM 1270 C LYS A 81 6.408 17.324 -1.731 1.00 0.00 C ATOM 1271 O LYS A 81 7.245 17.944 -2.388 1.00 0.00 O ATOM 1272 CB LYS A 81 4.314 16.842 -3.010 1.00 0.00 C ATOM 1273 CG LYS A 81 3.534 17.746 -2.071 1.00 0.00 C ATOM 1274 CD LYS A 81 3.865 19.210 -2.305 1.00 0.00 C ATOM 1275 CE LYS A 81 3.485 20.066 -1.107 1.00 0.00 C ATOM 1276 NZ LYS A 81 2.200 20.788 -1.325 1.00 0.00 N ATOM 0 H LYS A 81 4.182 15.088 -1.287 1.00 0.00 H new ATOM 0 HA LYS A 81 6.158 15.744 -3.148 1.00 0.00 H new ATOM 0 HB2 LYS A 81 4.608 17.414 -3.890 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.661 16.040 -3.354 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.465 17.586 -2.214 1.00 0.00 H new ATOM 0 HG3 LYS A 81 3.760 17.481 -1.038 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.931 19.315 -2.505 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.338 19.566 -3.190 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.401 19.435 -0.222 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.278 20.788 -0.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.976 21.360 -0.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.287 21.409 -2.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 1.438 20.099 -1.487 1.00 0.00 H new ATOM 1290 N LYS A 82 6.185 17.557 -0.442 1.00 0.00 N ATOM 1291 CA LYS A 82 6.928 18.575 0.292 1.00 0.00 C ATOM 1292 C LYS A 82 8.431 18.369 0.138 1.00 0.00 C ATOM 1293 O LYS A 82 9.195 19.332 0.070 1.00 0.00 O ATOM 1294 CB LYS A 82 6.547 18.544 1.774 1.00 0.00 C ATOM 1295 CG LYS A 82 6.882 19.827 2.515 1.00 0.00 C ATOM 1296 CD LYS A 82 8.278 19.777 3.112 1.00 0.00 C ATOM 1297 CE LYS A 82 8.941 21.146 3.095 1.00 0.00 C ATOM 1298 NZ LYS A 82 8.985 21.758 4.452 1.00 0.00 N ATOM 0 H LYS A 82 5.495 17.054 0.116 1.00 0.00 H new ATOM 0 HA LYS A 82 6.669 19.549 -0.123 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.478 18.352 1.862 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.061 17.712 2.255 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.807 20.673 1.832 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.152 19.992 3.307 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.224 19.411 4.137 1.00 0.00 H new ATOM 0 HD3 LYS A 82 8.889 19.069 2.552 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.955 21.054 2.705 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.398 21.804 2.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.444 22.690 4.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.016 21.870 4.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.525 21.143 5.093 1.00 0.00 H new ATOM 1312 N ARG A 83 8.849 17.109 0.084 1.00 0.00 N ATOM 1313 CA ARG A 83 10.261 16.777 -0.062 1.00 0.00 C ATOM 1314 C ARG A 83 11.084 17.401 1.061 1.00 0.00 C ATOM 1315 O ARG A 83 11.550 18.535 0.947 1.00 0.00 O ATOM 1316 CB ARG A 83 10.782 17.257 -1.418 1.00 0.00 C ATOM 1317 CG ARG A 83 10.577 16.252 -2.540 1.00 0.00 C ATOM 1318 CD ARG A 83 11.672 15.197 -2.549 1.00 0.00 C ATOM 1319 NE ARG A 83 11.943 14.701 -3.896 1.00 0.00 N ATOM 1320 CZ ARG A 83 12.551 15.418 -4.834 1.00 0.00 C ATOM 1321 NH1 ARG A 83 12.949 16.656 -4.574 1.00 0.00 N ATOM 1322 NH2 ARG A 83 12.762 14.897 -6.036 1.00 0.00 N ATOM 0 H ARG A 83 8.229 16.301 0.139 1.00 0.00 H new ATOM 0 HA ARG A 83 10.362 15.693 -0.005 1.00 0.00 H new ATOM 0 HB2 ARG A 83 10.282 18.189 -1.681 1.00 0.00 H new ATOM 0 HB3 ARG A 83 11.845 17.480 -1.331 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.606 15.770 -2.425 1.00 0.00 H new ATOM 0 HG3 ARG A 83 10.563 16.772 -3.498 1.00 0.00 H new ATOM 0 HD2 ARG A 83 12.585 15.618 -2.127 1.00 0.00 H new ATOM 0 HD3 ARG A 83 11.379 14.365 -1.908 1.00 0.00 H new ATOM 0 HE ARG A 83 11.649 13.752 -4.129 1.00 0.00 H new ATOM 0 HH11 ARG A 83 12.788 17.060 -3.651 1.00 0.00 H new ATOM 0 HH12 ARG A 83 13.416 17.204 -5.297 1.00 0.00 H new ATOM 0 HH21 ARG A 83 12.457 13.945 -6.240 1.00 0.00 H new ATOM 0 HH22 ARG A 83 13.229 15.448 -6.756 1.00 0.00 H new ATOM 1336 N HIS A 84 11.260 16.652 2.145 1.00 0.00 N ATOM 1337 CA HIS A 84 12.027 17.131 3.289 1.00 0.00 C ATOM 1338 C HIS A 84 12.794 15.988 3.946 1.00 0.00 C ATOM 1339 O HIS A 84 12.901 15.922 5.171 1.00 0.00 O ATOM 1340 CB HIS A 84 11.101 17.792 4.310 1.00 0.00 C ATOM 1341 CG HIS A 84 11.675 19.032 4.925 1.00 0.00 C ATOM 1342 ND1 HIS A 84 11.665 19.273 6.282 1.00 0.00 N ATOM 1343 CD2 HIS A 84 12.281 20.102 4.359 1.00 0.00 C ATOM 1344 CE1 HIS A 84 12.237 20.439 6.525 1.00 0.00 C ATOM 1345 NE2 HIS A 84 12.620 20.962 5.374 1.00 0.00 N ATOM 0 H HIS A 84 10.882 15.711 2.255 1.00 0.00 H new ATOM 0 HA HIS A 84 12.745 17.868 2.930 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.157 18.040 3.825 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.875 17.076 5.100 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.464 20.251 3.305 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.369 20.888 7.498 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.091 21.859 5.258 1.00 0.00 H new ATOM 1353 N ARG A 85 13.326 15.089 3.124 1.00 0.00 N ATOM 1354 CA ARG A 85 14.082 13.947 3.625 1.00 0.00 C ATOM 1355 C ARG A 85 15.358 13.742 2.815 1.00 0.00 C ATOM 1356 O ARG A 85 16.466 13.886 3.335 1.00 0.00 O ATOM 1357 CB ARG A 85 13.225 12.681 3.577 1.00 0.00 C ATOM 1358 CG ARG A 85 13.631 11.631 4.598 1.00 0.00 C ATOM 1359 CD ARG A 85 12.849 11.783 5.894 1.00 0.00 C ATOM 1360 NE ARG A 85 13.303 10.847 6.919 1.00 0.00 N ATOM 1361 CZ ARG A 85 12.809 10.811 8.152 1.00 0.00 C ATOM 1362 NH1 ARG A 85 11.850 11.654 8.510 1.00 0.00 N ATOM 1363 NH2 ARG A 85 13.273 9.931 9.029 1.00 0.00 N ATOM 0 H ARG A 85 13.247 15.129 2.108 1.00 0.00 H new ATOM 0 HA ARG A 85 14.358 14.151 4.659 1.00 0.00 H new ATOM 0 HB2 ARG A 85 12.182 12.952 3.742 1.00 0.00 H new ATOM 0 HB3 ARG A 85 13.287 12.248 2.579 1.00 0.00 H new ATOM 0 HG2 ARG A 85 13.463 10.636 4.185 1.00 0.00 H new ATOM 0 HG3 ARG A 85 14.698 11.715 4.804 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.953 12.803 6.263 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.789 11.621 5.699 1.00 0.00 H new ATOM 0 HE ARG A 85 14.039 10.185 6.675 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.490 12.332 7.838 1.00 0.00 H new ATOM 0 HH12 ARG A 85 11.472 11.624 9.457 1.00 0.00 H new ATOM 0 HH21 ARG A 85 14.010 9.280 8.757 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.893 9.905 9.975 1.00 0.00 H new ATOM 1377 N HIS A 86 15.196 13.404 1.540 1.00 0.00 N ATOM 1378 CA HIS A 86 16.336 13.178 0.658 1.00 0.00 C ATOM 1379 C HIS A 86 16.668 14.440 -0.133 1.00 0.00 C ATOM 1380 O HIS A 86 17.698 15.074 0.095 1.00 0.00 O ATOM 1381 CB HIS A 86 16.045 12.023 -0.301 1.00 0.00 C ATOM 1382 CG HIS A 86 16.598 10.710 0.160 1.00 0.00 C ATOM 1383 ND1 HIS A 86 16.090 10.015 1.237 1.00 0.00 N ATOM 1384 CD2 HIS A 86 17.619 9.962 -0.320 1.00 0.00 C ATOM 1385 CE1 HIS A 86 16.776 8.899 1.402 1.00 0.00 C ATOM 1386 NE2 HIS A 86 17.710 8.843 0.470 1.00 0.00 N ATOM 0 H HIS A 86 14.287 13.281 1.094 1.00 0.00 H new ATOM 0 HA HIS A 86 17.196 12.919 1.275 1.00 0.00 H new ATOM 0 HB2 HIS A 86 14.966 11.930 -0.428 1.00 0.00 H new ATOM 0 HB3 HIS A 86 16.462 12.260 -1.280 1.00 0.00 H new ATOM 0 HD2 HIS A 86 18.245 10.201 -1.167 1.00 0.00 H new ATOM 0 HE1 HIS A 86 16.603 8.158 2.169 1.00 0.00 H new ATOM 0 HE2 HIS A 86 18.389 8.090 0.356 1.00 0.00 H new ATOM 1394 N SER A 87 15.790 14.797 -1.065 1.00 0.00 N ATOM 1395 CA SER A 87 15.992 15.980 -1.893 1.00 0.00 C ATOM 1396 C SER A 87 17.337 15.916 -2.612 1.00 0.00 C ATOM 1397 O SER A 87 18.114 16.870 -2.582 1.00 0.00 O ATOM 1398 CB SER A 87 15.919 17.247 -1.037 1.00 0.00 C ATOM 1399 OG SER A 87 15.406 18.337 -1.783 1.00 0.00 O ATOM 0 H SER A 87 14.932 14.284 -1.266 1.00 0.00 H new ATOM 0 HA SER A 87 15.200 16.009 -2.641 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.286 17.067 -0.168 1.00 0.00 H new ATOM 0 HB3 SER A 87 16.912 17.494 -0.662 1.00 0.00 H new ATOM 0 HG SER A 87 15.368 19.134 -1.214 1.00 0.00 H new ATOM 1405 N GLU A 88 17.602 14.785 -3.258 1.00 0.00 N ATOM 1406 CA GLU A 88 18.852 14.596 -3.984 1.00 0.00 C ATOM 1407 C GLU A 88 18.793 13.342 -4.852 1.00 0.00 C ATOM 1408 O GLU A 88 19.493 12.363 -4.595 1.00 0.00 O ATOM 1409 CB GLU A 88 20.025 14.498 -3.006 1.00 0.00 C ATOM 1410 CG GLU A 88 21.366 14.857 -3.626 1.00 0.00 C ATOM 1411 CD GLU A 88 21.456 16.320 -4.012 1.00 0.00 C ATOM 1412 OE1 GLU A 88 20.733 17.140 -3.409 1.00 0.00 O ATOM 1413 OE2 GLU A 88 22.251 16.646 -4.919 1.00 0.00 O ATOM 0 H GLU A 88 16.968 13.987 -3.293 1.00 0.00 H new ATOM 0 HA GLU A 88 19.000 15.459 -4.633 1.00 0.00 H new ATOM 0 HB2 GLU A 88 19.837 15.158 -2.159 1.00 0.00 H new ATOM 0 HB3 GLU A 88 20.076 13.482 -2.613 1.00 0.00 H new ATOM 0 HG2 GLU A 88 22.163 14.621 -2.921 1.00 0.00 H new ATOM 0 HG3 GLU A 88 21.530 14.241 -4.510 1.00 0.00 H new ATOM 1420 N SER A 89 17.951 13.381 -5.880 1.00 0.00 N ATOM 1421 CA SER A 89 17.797 12.247 -6.784 1.00 0.00 C ATOM 1422 C SER A 89 17.610 12.721 -8.222 1.00 0.00 C ATOM 1423 O SER A 89 16.541 13.203 -8.595 1.00 0.00 O ATOM 1424 CB SER A 89 16.604 11.388 -6.359 1.00 0.00 C ATOM 1425 OG SER A 89 17.035 10.181 -5.754 1.00 0.00 O ATOM 0 H SER A 89 17.366 14.185 -6.107 1.00 0.00 H new ATOM 0 HA SER A 89 18.705 11.646 -6.733 1.00 0.00 H new ATOM 0 HB2 SER A 89 15.980 11.946 -5.661 1.00 0.00 H new ATOM 0 HB3 SER A 89 15.986 11.163 -7.228 1.00 0.00 H new ATOM 0 HG SER A 89 16.254 9.651 -5.490 1.00 0.00 H new ATOM 1431 N GLY A 90 18.660 12.580 -9.026 1.00 0.00 N ATOM 1432 CA GLY A 90 18.592 12.998 -10.415 1.00 0.00 C ATOM 1433 C GLY A 90 18.649 11.827 -11.376 1.00 0.00 C ATOM 1434 O GLY A 90 19.650 11.604 -12.057 1.00 0.00 O ATOM 0 H GLY A 90 19.556 12.184 -8.741 1.00 0.00 H new ATOM 0 HA2 GLY A 90 17.669 13.554 -10.579 1.00 0.00 H new ATOM 0 HA3 GLY A 90 19.416 13.679 -10.627 1.00 0.00 H new ATOM 1438 N PRO A 91 17.555 11.054 -11.439 1.00 0.00 N ATOM 1439 CA PRO A 91 17.460 9.886 -12.320 1.00 0.00 C ATOM 1440 C PRO A 91 17.390 10.275 -13.793 1.00 0.00 C ATOM 1441 O PRO A 91 16.783 11.284 -14.150 1.00 0.00 O ATOM 1442 CB PRO A 91 16.156 9.216 -11.881 1.00 0.00 C ATOM 1443 CG PRO A 91 15.343 10.317 -11.292 1.00 0.00 C ATOM 1444 CD PRO A 91 16.325 11.261 -10.656 1.00 0.00 C ATOM 0 HA PRO A 91 18.335 9.241 -12.238 1.00 0.00 H new ATOM 0 HB2 PRO A 91 15.644 8.754 -12.726 1.00 0.00 H new ATOM 0 HB3 PRO A 91 16.342 8.428 -11.152 1.00 0.00 H new ATOM 0 HG2 PRO A 91 14.756 10.822 -12.059 1.00 0.00 H new ATOM 0 HG3 PRO A 91 14.639 9.931 -10.555 1.00 0.00 H new ATOM 0 HD2 PRO A 91 15.983 12.294 -10.712 1.00 0.00 H new ATOM 0 HD3 PRO A 91 16.477 11.032 -9.601 1.00 0.00 H new ATOM 1452 N SER A 92 18.015 9.467 -14.643 1.00 0.00 N ATOM 1453 CA SER A 92 18.026 9.729 -16.078 1.00 0.00 C ATOM 1454 C SER A 92 16.630 9.567 -16.671 1.00 0.00 C ATOM 1455 O SER A 92 16.267 10.249 -17.629 1.00 0.00 O ATOM 1456 CB SER A 92 19.005 8.787 -16.782 1.00 0.00 C ATOM 1457 OG SER A 92 20.297 9.362 -16.864 1.00 0.00 O ATOM 0 H SER A 92 18.520 8.626 -14.364 1.00 0.00 H new ATOM 0 HA SER A 92 18.349 10.759 -16.232 1.00 0.00 H new ATOM 0 HB2 SER A 92 19.058 7.842 -16.241 1.00 0.00 H new ATOM 0 HB3 SER A 92 18.640 8.561 -17.784 1.00 0.00 H new ATOM 0 HG SER A 92 20.904 8.740 -17.316 1.00 0.00 H new ATOM 1463 N SER A 93 15.851 8.658 -16.093 1.00 0.00 N ATOM 1464 CA SER A 93 14.496 8.401 -16.566 1.00 0.00 C ATOM 1465 C SER A 93 13.509 8.386 -15.402 1.00 0.00 C ATOM 1466 O SER A 93 13.569 7.516 -14.534 1.00 0.00 O ATOM 1467 CB SER A 93 14.438 7.069 -17.316 1.00 0.00 C ATOM 1468 OG SER A 93 13.658 7.181 -18.494 1.00 0.00 O ATOM 0 H SER A 93 16.135 8.087 -15.297 1.00 0.00 H new ATOM 0 HA SER A 93 14.217 9.205 -17.247 1.00 0.00 H new ATOM 0 HB2 SER A 93 15.448 6.749 -17.574 1.00 0.00 H new ATOM 0 HB3 SER A 93 14.016 6.301 -16.668 1.00 0.00 H new ATOM 0 HG SER A 93 13.638 6.317 -18.956 1.00 0.00 H new ATOM 1474 N GLY A 94 12.599 9.356 -15.393 1.00 0.00 N ATOM 1475 CA GLY A 94 11.612 9.436 -14.333 1.00 0.00 C ATOM 1476 C GLY A 94 10.206 9.158 -14.827 1.00 0.00 C ATOM 1477 O GLY A 94 9.249 9.520 -14.145 1.00 0.00 O ATOM 0 H GLY A 94 12.528 10.087 -16.101 1.00 0.00 H new ATOM 0 HA2 GLY A 94 11.866 8.722 -13.550 1.00 0.00 H new ATOM 0 HA3 GLY A 94 11.646 10.428 -13.883 1.00 0.00 H new TER 1481 GLY A 94 HETATM 1482 ZN ZN A 201 -11.007 -1.828 13.049 1.00 0.00 ZN