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 USER MOD Single : A 6 SER OG : rot 22:sc= 0.247 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 51:sc= -0.898 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.695 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -169:sc= 0 (180deg=-0.127) 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+ -177:sc= -1.74! (180deg=-1.75!) USER MOD Single : A 23 ASN : amide:sc= -5.03! C(o=-5!,f=-7.3!) USER MOD Single : A 24 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.238) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -121:sc= -0.79 USER MOD Single : A 38 MET CE :methyl 150:sc=-0.00642 (180deg=-0.234) USER MOD Single : A 41 SER OG : rot 89:sc= 1.21 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+ 169:sc= 0 (180deg=-0.0472) USER MOD Single : A 47 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.027) 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= -1.12 X(o=-1.1,f=-1.4) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= -1.36 K(o=-1.4,f=-4.5!) 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 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.0194 K(o=-0.019,f=-1.2) 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 X(o=0,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 -2.693 17.324 18.279 1.00 0.00 N ATOM 2 CA GLY A 1 -3.195 18.082 17.148 1.00 0.00 C ATOM 3 C GLY A 1 -2.289 19.239 16.778 1.00 0.00 C ATOM 4 O GLY A 1 -1.671 19.236 15.713 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.348 16.544 18.492 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.756 16.936 18.049 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.615 17.947 19.108 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.302 17.419 16.289 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.189 18.463 17.382 1.00 0.00 H new ATOM 8 N SER A 2 -2.212 20.233 17.656 1.00 0.00 N ATOM 9 CA SER A 2 -1.379 21.406 17.413 1.00 0.00 C ATOM 10 C SER A 2 0.064 20.998 17.132 1.00 0.00 C ATOM 11 O SER A 2 0.822 20.686 18.050 1.00 0.00 O ATOM 12 CB SER A 2 -1.430 22.351 18.615 1.00 0.00 C ATOM 13 OG SER A 2 -1.744 23.673 18.211 1.00 0.00 O ATOM 0 H SER A 2 -2.716 20.250 18.543 1.00 0.00 H new ATOM 0 HA SER A 2 -1.769 21.924 16.537 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.176 21.998 19.328 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.469 22.343 19.129 1.00 0.00 H new ATOM 0 HG SER A 2 -1.772 24.257 18.997 1.00 0.00 H new ATOM 19 N SER A 3 0.436 21.004 15.856 1.00 0.00 N ATOM 20 CA SER A 3 1.787 20.632 15.452 1.00 0.00 C ATOM 21 C SER A 3 2.103 19.199 15.871 1.00 0.00 C ATOM 22 O SER A 3 1.286 18.530 16.502 1.00 0.00 O ATOM 23 CB SER A 3 2.808 21.592 16.065 1.00 0.00 C ATOM 24 OG SER A 3 2.384 22.938 15.937 1.00 0.00 O ATOM 0 H SER A 3 -0.179 21.262 15.084 1.00 0.00 H new ATOM 0 HA SER A 3 1.846 20.696 14.366 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.951 21.351 17.118 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.773 21.463 15.575 1.00 0.00 H new ATOM 0 HG SER A 3 3.053 23.531 16.338 1.00 0.00 H new ATOM 30 N GLY A 4 3.297 18.735 15.514 1.00 0.00 N ATOM 31 CA GLY A 4 3.702 17.385 15.861 1.00 0.00 C ATOM 32 C GLY A 4 4.437 16.692 14.730 1.00 0.00 C ATOM 33 O GLY A 4 5.443 17.197 14.234 1.00 0.00 O ATOM 0 H GLY A 4 3.991 19.270 14.991 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.343 17.416 16.742 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.821 16.802 16.129 1.00 0.00 H new ATOM 37 N SER A 5 3.933 15.531 14.323 1.00 0.00 N ATOM 38 CA SER A 5 4.552 14.765 13.248 1.00 0.00 C ATOM 39 C SER A 5 3.588 14.597 12.077 1.00 0.00 C ATOM 40 O SER A 5 3.979 14.713 10.915 1.00 0.00 O ATOM 41 CB SER A 5 4.994 13.392 13.760 1.00 0.00 C ATOM 42 OG SER A 5 4.396 13.098 15.011 1.00 0.00 O ATOM 0 H SER A 5 3.098 15.101 14.721 1.00 0.00 H new ATOM 0 HA SER A 5 5.427 15.314 12.901 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.723 12.625 13.034 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.079 13.369 13.858 1.00 0.00 H new ATOM 0 HG SER A 5 4.693 12.215 15.316 1.00 0.00 H new ATOM 48 N SER A 6 2.326 14.323 12.391 1.00 0.00 N ATOM 49 CA SER A 6 1.306 14.135 11.366 1.00 0.00 C ATOM 50 C SER A 6 1.729 13.061 10.369 1.00 0.00 C ATOM 51 O SER A 6 2.724 12.366 10.573 1.00 0.00 O ATOM 52 CB SER A 6 1.041 15.452 10.633 1.00 0.00 C ATOM 53 OG SER A 6 -0.197 15.412 9.945 1.00 0.00 O ATOM 0 H SER A 6 1.985 14.226 13.347 1.00 0.00 H new ATOM 0 HA SER A 6 0.389 13.809 11.856 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.037 16.275 11.347 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.847 15.647 9.926 1.00 0.00 H new ATOM 0 HG SER A 6 -0.772 14.726 10.345 1.00 0.00 H new ATOM 59 N GLY A 7 0.965 12.931 9.289 1.00 0.00 N ATOM 60 CA GLY A 7 1.276 11.940 8.276 1.00 0.00 C ATOM 61 C GLY A 7 0.482 10.661 8.453 1.00 0.00 C ATOM 62 O GLY A 7 -0.630 10.680 8.981 1.00 0.00 O ATOM 0 H GLY A 7 0.136 13.494 9.098 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.072 12.357 7.290 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.341 11.711 8.311 1.00 0.00 H new ATOM 66 N PHE A 8 1.053 9.546 8.009 1.00 0.00 N ATOM 67 CA PHE A 8 0.391 8.251 8.119 1.00 0.00 C ATOM 68 C PHE A 8 1.384 7.164 8.519 1.00 0.00 C ATOM 69 O PHE A 8 2.356 6.902 7.810 1.00 0.00 O ATOM 70 CB PHE A 8 -0.280 7.883 6.794 1.00 0.00 C ATOM 71 CG PHE A 8 -1.586 8.589 6.567 1.00 0.00 C ATOM 72 CD1 PHE A 8 -1.616 9.849 5.992 1.00 0.00 C ATOM 73 CD2 PHE A 8 -2.783 7.992 6.927 1.00 0.00 C ATOM 74 CE1 PHE A 8 -2.817 10.501 5.783 1.00 0.00 C ATOM 75 CE2 PHE A 8 -3.987 8.638 6.719 1.00 0.00 C ATOM 76 CZ PHE A 8 -4.004 9.894 6.145 1.00 0.00 C ATOM 0 H PHE A 8 1.973 9.513 7.570 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.371 8.325 8.895 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.399 8.119 5.974 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -0.449 6.806 6.768 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -0.691 10.327 5.704 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.775 7.010 7.376 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -2.827 11.485 5.337 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.913 8.161 7.005 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.943 10.401 5.979 1.00 0.00 H new ATOM 86 N THR A 9 1.133 6.533 9.662 1.00 0.00 N ATOM 87 CA THR A 9 2.004 5.475 10.159 1.00 0.00 C ATOM 88 C THR A 9 1.233 4.176 10.360 1.00 0.00 C ATOM 89 O THR A 9 0.101 4.184 10.846 1.00 0.00 O ATOM 90 CB THR A 9 2.670 5.875 11.489 1.00 0.00 C ATOM 91 OG1 THR A 9 1.983 6.991 12.065 1.00 0.00 O ATOM 92 CG2 THR A 9 4.134 6.229 11.277 1.00 0.00 C ATOM 0 H THR A 9 0.333 6.737 10.261 1.00 0.00 H new ATOM 0 HA THR A 9 2.777 5.322 9.406 1.00 0.00 H new ATOM 0 HB THR A 9 2.613 5.024 12.168 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.412 7.238 12.911 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.583 6.508 12.230 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.661 5.368 10.866 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.209 7.065 10.582 1.00 0.00 H new ATOM 100 N CYS A 10 1.851 3.062 9.983 1.00 0.00 N ATOM 101 CA CYS A 10 1.221 1.754 10.122 1.00 0.00 C ATOM 102 C CYS A 10 1.415 1.205 11.532 1.00 0.00 C ATOM 103 O CYS A 10 2.522 1.179 12.069 1.00 0.00 O ATOM 104 CB CYS A 10 1.798 0.776 9.098 1.00 0.00 C ATOM 105 SG CYS A 10 0.824 -0.733 8.888 1.00 0.00 S ATOM 0 H CYS A 10 2.787 3.038 9.579 1.00 0.00 H new ATOM 0 HA CYS A 10 0.153 1.871 9.940 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.879 1.280 8.135 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.809 0.504 9.401 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.420 -0.421 8.678 1.00 0.00 H new ATOM 111 N PRO A 11 0.311 0.756 12.149 1.00 0.00 N ATOM 112 CA PRO A 11 0.333 0.201 13.505 1.00 0.00 C ATOM 113 C PRO A 11 1.035 -1.151 13.567 1.00 0.00 C ATOM 114 O PRO A 11 1.282 -1.684 14.649 1.00 0.00 O ATOM 115 CB PRO A 11 -1.151 0.049 13.850 1.00 0.00 C ATOM 116 CG PRO A 11 -1.834 -0.083 12.533 1.00 0.00 C ATOM 117 CD PRO A 11 -1.043 0.757 11.570 1.00 0.00 C ATOM 0 HA PRO A 11 0.883 0.839 14.197 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.324 -0.827 14.475 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.520 0.913 14.402 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.862 -1.124 12.211 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.867 0.260 12.593 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.051 0.333 10.566 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.446 1.767 11.492 1.00 0.00 H new ATOM 125 N ILE A 12 1.354 -1.701 12.400 1.00 0.00 N ATOM 126 CA ILE A 12 2.030 -2.990 12.322 1.00 0.00 C ATOM 127 C ILE A 12 3.529 -2.813 12.110 1.00 0.00 C ATOM 128 O ILE A 12 4.333 -3.126 12.989 1.00 0.00 O ATOM 129 CB ILE A 12 1.461 -3.856 11.182 1.00 0.00 C ATOM 130 CG1 ILE A 12 -0.040 -4.077 11.381 1.00 0.00 C ATOM 131 CG2 ILE A 12 2.193 -5.187 11.112 1.00 0.00 C ATOM 132 CD1 ILE A 12 -0.737 -4.630 10.157 1.00 0.00 C ATOM 0 H ILE A 12 1.155 -1.274 11.495 1.00 0.00 H new ATOM 0 HA ILE A 12 1.857 -3.495 13.273 1.00 0.00 H new ATOM 0 HB ILE A 12 1.610 -3.332 10.238 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.191 -4.762 12.215 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.505 -3.131 11.657 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.779 -5.787 10.302 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.253 -5.010 10.928 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.072 -5.719 12.056 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.798 -4.761 10.371 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.617 -3.936 9.325 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.298 -5.592 9.892 1.00 0.00 H new ATOM 144 N THR A 13 3.901 -2.307 10.939 1.00 0.00 N ATOM 145 CA THR A 13 5.304 -2.087 10.611 1.00 0.00 C ATOM 146 C THR A 13 5.884 -0.934 11.422 1.00 0.00 C ATOM 147 O THR A 13 7.100 -0.818 11.575 1.00 0.00 O ATOM 148 CB THR A 13 5.491 -1.790 9.111 1.00 0.00 C ATOM 149 OG1 THR A 13 4.596 -0.750 8.703 1.00 0.00 O ATOM 150 CG2 THR A 13 5.241 -3.038 8.277 1.00 0.00 C ATOM 0 H THR A 13 3.249 -2.041 10.201 1.00 0.00 H new ATOM 0 HA THR A 13 5.834 -3.006 10.860 1.00 0.00 H new ATOM 0 HB THR A 13 6.520 -1.467 8.952 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.722 -0.566 7.749 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.379 -2.804 7.221 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.943 -3.818 8.570 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.222 -3.387 8.441 1.00 0.00 H new ATOM 158 N LYS A 14 5.006 -0.082 11.942 1.00 0.00 N ATOM 159 CA LYS A 14 5.430 1.062 12.740 1.00 0.00 C ATOM 160 C LYS A 14 6.260 2.031 11.904 1.00 0.00 C ATOM 161 O LYS A 14 7.242 2.595 12.385 1.00 0.00 O ATOM 162 CB LYS A 14 6.240 0.593 13.951 1.00 0.00 C ATOM 163 CG LYS A 14 5.605 -0.569 14.694 1.00 0.00 C ATOM 164 CD LYS A 14 4.279 -0.173 15.320 1.00 0.00 C ATOM 165 CE LYS A 14 4.439 0.175 16.792 1.00 0.00 C ATOM 166 NZ LYS A 14 3.205 0.793 17.353 1.00 0.00 N ATOM 0 H LYS A 14 3.996 -0.163 11.825 1.00 0.00 H new ATOM 0 HA LYS A 14 4.537 1.582 13.087 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.236 0.301 13.620 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.365 1.429 14.640 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.450 -1.400 14.006 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.284 -0.920 15.471 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.864 0.682 14.786 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.567 -0.991 15.214 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.681 -0.727 17.354 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.277 0.862 16.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.354 1.016 18.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.987 1.667 16.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.411 0.128 17.260 1.00 0.00 H new ATOM 180 N GLU A 15 5.858 2.219 10.651 1.00 0.00 N ATOM 181 CA GLU A 15 6.565 3.120 9.749 1.00 0.00 C ATOM 182 C GLU A 15 5.587 3.859 8.841 1.00 0.00 C ATOM 183 O GLU A 15 4.372 3.714 8.972 1.00 0.00 O ATOM 184 CB GLU A 15 7.575 2.342 8.904 1.00 0.00 C ATOM 185 CG GLU A 15 8.398 1.345 9.703 1.00 0.00 C ATOM 186 CD GLU A 15 9.754 1.077 9.080 1.00 0.00 C ATOM 187 OE1 GLU A 15 9.803 0.773 7.870 1.00 0.00 O ATOM 188 OE2 GLU A 15 10.768 1.170 9.804 1.00 0.00 O ATOM 0 H GLU A 15 5.047 1.759 10.238 1.00 0.00 H new ATOM 0 HA GLU A 15 7.097 3.854 10.354 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.043 1.811 8.115 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.248 3.047 8.416 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.536 1.722 10.716 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.848 0.408 9.784 1.00 0.00 H new ATOM 195 N GLU A 16 6.127 4.652 7.920 1.00 0.00 N ATOM 196 CA GLU A 16 5.302 5.415 6.991 1.00 0.00 C ATOM 197 C GLU A 16 4.563 4.487 6.031 1.00 0.00 C ATOM 198 O GLU A 16 5.068 3.426 5.664 1.00 0.00 O ATOM 199 CB GLU A 16 6.163 6.402 6.201 1.00 0.00 C ATOM 200 CG GLU A 16 5.393 7.608 5.689 1.00 0.00 C ATOM 201 CD GLU A 16 5.499 7.772 4.185 1.00 0.00 C ATOM 202 OE1 GLU A 16 6.575 8.188 3.707 1.00 0.00 O ATOM 203 OE2 GLU A 16 4.505 7.484 3.487 1.00 0.00 O ATOM 0 H GLU A 16 7.131 4.782 7.798 1.00 0.00 H new ATOM 0 HA GLU A 16 4.566 5.970 7.572 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.981 6.746 6.835 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.612 5.882 5.355 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.344 7.509 5.967 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.768 8.508 6.176 1.00 0.00 H new ATOM 210 N MET A 17 3.363 4.893 5.630 1.00 0.00 N ATOM 211 CA MET A 17 2.554 4.099 4.712 1.00 0.00 C ATOM 212 C MET A 17 2.528 4.730 3.324 1.00 0.00 C ATOM 213 O MET A 17 2.424 5.950 3.187 1.00 0.00 O ATOM 214 CB MET A 17 1.128 3.957 5.248 1.00 0.00 C ATOM 215 CG MET A 17 1.062 3.400 6.661 1.00 0.00 C ATOM 216 SD MET A 17 -0.420 2.415 6.951 1.00 0.00 S ATOM 217 CE MET A 17 -1.699 3.602 6.545 1.00 0.00 C ATOM 0 H MET A 17 2.929 5.767 5.926 1.00 0.00 H new ATOM 0 HA MET A 17 3.005 3.110 4.633 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.642 4.933 5.228 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.562 3.305 4.583 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.943 2.786 6.847 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.091 4.224 7.374 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.668 3.214 6.858 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.500 4.542 7.061 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.708 3.774 5.469 1.00 0.00 H new ATOM 227 N LYS A 18 2.623 3.894 2.296 1.00 0.00 N ATOM 228 CA LYS A 18 2.610 4.369 0.918 1.00 0.00 C ATOM 229 C LYS A 18 1.387 3.842 0.173 1.00 0.00 C ATOM 230 O LYS A 18 0.870 4.496 -0.733 1.00 0.00 O ATOM 231 CB LYS A 18 3.887 3.937 0.195 1.00 0.00 C ATOM 232 CG LYS A 18 5.161 4.343 0.915 1.00 0.00 C ATOM 233 CD LYS A 18 5.475 5.815 0.704 1.00 0.00 C ATOM 234 CE LYS A 18 6.967 6.044 0.511 1.00 0.00 C ATOM 235 NZ LYS A 18 7.275 6.573 -0.846 1.00 0.00 N ATOM 0 H LYS A 18 2.710 2.882 2.392 1.00 0.00 H new ATOM 0 HA LYS A 18 2.562 5.458 0.936 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.877 2.854 0.074 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.892 4.369 -0.806 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.058 4.141 1.981 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.993 3.737 0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.934 6.182 -0.168 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.125 6.389 1.562 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.328 6.744 1.264 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.501 5.107 0.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.301 6.716 -0.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.954 5.893 -1.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.786 7.480 -0.984 1.00 0.00 H new ATOM 249 N LYS A 19 0.929 2.657 0.560 1.00 0.00 N ATOM 250 CA LYS A 19 -0.234 2.043 -0.069 1.00 0.00 C ATOM 251 C LYS A 19 -1.300 1.707 0.970 1.00 0.00 C ATOM 252 O LYS A 19 -1.395 0.579 1.455 1.00 0.00 O ATOM 253 CB LYS A 19 0.178 0.775 -0.821 1.00 0.00 C ATOM 254 CG LYS A 19 0.687 1.041 -2.227 1.00 0.00 C ATOM 255 CD LYS A 19 1.600 -0.074 -2.709 1.00 0.00 C ATOM 256 CE LYS A 19 2.919 0.474 -3.234 1.00 0.00 C ATOM 257 NZ LYS A 19 3.861 -0.616 -3.611 1.00 0.00 N ATOM 0 H LYS A 19 1.346 2.102 1.307 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.654 2.758 -0.777 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.954 0.262 -0.253 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.676 0.100 -0.874 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.158 1.141 -2.908 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.226 1.988 -2.247 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.793 -0.767 -1.890 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.101 -0.640 -3.496 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.730 1.107 -4.101 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.379 1.105 -2.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.747 -0.202 -3.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.061 -1.205 -2.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.433 -1.203 -4.355 1.00 0.00 H new ATOM 271 N PRO A 20 -2.123 2.706 1.319 1.00 0.00 N ATOM 272 CA PRO A 20 -3.198 2.540 2.301 1.00 0.00 C ATOM 273 C PRO A 20 -4.329 1.660 1.779 1.00 0.00 C ATOM 274 O PRO A 20 -4.863 1.897 0.695 1.00 0.00 O ATOM 275 CB PRO A 20 -3.694 3.970 2.529 1.00 0.00 C ATOM 276 CG PRO A 20 -3.344 4.697 1.277 1.00 0.00 C ATOM 277 CD PRO A 20 -2.067 4.076 0.781 1.00 0.00 C ATOM 0 HA PRO A 20 -2.849 2.046 3.208 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.768 3.992 2.712 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.213 4.422 3.397 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -4.138 4.602 0.536 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.212 5.762 1.468 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.015 4.078 -0.308 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.191 4.614 1.143 1.00 0.00 H new ATOM 285 N VAL A 21 -4.690 0.645 2.557 1.00 0.00 N ATOM 286 CA VAL A 21 -5.760 -0.269 2.174 1.00 0.00 C ATOM 287 C VAL A 21 -6.880 -0.268 3.208 1.00 0.00 C ATOM 288 O VAL A 21 -6.651 -0.526 4.389 1.00 0.00 O ATOM 289 CB VAL A 21 -5.235 -1.707 2.004 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.301 -1.796 0.806 1.00 0.00 C ATOM 291 CG2 VAL A 21 -4.535 -2.172 3.272 1.00 0.00 C ATOM 0 H VAL A 21 -4.257 0.435 3.456 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.151 0.083 1.219 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.084 -2.366 1.823 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.940 -2.819 0.701 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.839 -1.507 -0.097 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.454 -1.126 0.954 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.170 -3.190 3.134 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.695 -1.512 3.487 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.237 -2.148 4.105 1.00 0.00 H new ATOM 301 N LYS A 22 -8.095 0.023 2.755 1.00 0.00 N ATOM 302 CA LYS A 22 -9.254 0.056 3.639 1.00 0.00 C ATOM 303 C LYS A 22 -10.002 -1.272 3.605 1.00 0.00 C ATOM 304 O LYS A 22 -10.141 -1.891 2.551 1.00 0.00 O ATOM 305 CB LYS A 22 -10.196 1.194 3.236 1.00 0.00 C ATOM 306 CG LYS A 22 -11.271 1.487 4.268 1.00 0.00 C ATOM 307 CD LYS A 22 -12.531 2.035 3.620 1.00 0.00 C ATOM 308 CE LYS A 22 -13.277 0.955 2.852 1.00 0.00 C ATOM 309 NZ LYS A 22 -14.086 1.524 1.738 1.00 0.00 N ATOM 0 H LYS A 22 -8.302 0.239 1.780 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.900 0.228 4.655 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.610 2.097 3.068 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.672 0.942 2.289 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.509 0.575 4.815 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.893 2.206 4.995 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.183 2.454 4.386 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.269 2.849 2.944 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.563 0.235 2.451 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.930 0.410 3.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.619 0.762 1.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.750 2.229 2.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.455 1.978 1.047 1.00 0.00 H new ATOM 323 N ASN A 23 -10.483 -1.705 4.766 1.00 0.00 N ATOM 324 CA ASN A 23 -11.218 -2.960 4.869 1.00 0.00 C ATOM 325 C ASN A 23 -12.710 -2.738 4.636 1.00 0.00 C ATOM 326 O ASN A 23 -13.242 -1.666 4.926 1.00 0.00 O ATOM 327 CB ASN A 23 -10.994 -3.596 6.243 1.00 0.00 C ATOM 328 CG ASN A 23 -11.192 -5.099 6.224 1.00 0.00 C ATOM 329 OD1 ASN A 23 -11.576 -5.673 5.205 1.00 0.00 O ATOM 330 ND2 ASN A 23 -10.930 -5.745 7.354 1.00 0.00 N ATOM 0 H ASN A 23 -10.377 -1.205 5.649 1.00 0.00 H new ATOM 0 HA ASN A 23 -10.844 -3.635 4.099 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -9.984 -3.370 6.585 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.681 -3.151 6.963 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.045 -6.757 7.401 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.614 -5.229 8.175 1.00 0.00 H new ATOM 337 N LYS A 24 -13.380 -3.759 4.112 1.00 0.00 N ATOM 338 CA LYS A 24 -14.810 -3.678 3.841 1.00 0.00 C ATOM 339 C LYS A 24 -15.620 -4.099 5.064 1.00 0.00 C ATOM 340 O LYS A 24 -16.781 -3.720 5.212 1.00 0.00 O ATOM 341 CB LYS A 24 -15.175 -4.561 2.646 1.00 0.00 C ATOM 342 CG LYS A 24 -14.253 -4.380 1.452 1.00 0.00 C ATOM 343 CD LYS A 24 -15.037 -4.233 0.159 1.00 0.00 C ATOM 344 CE LYS A 24 -14.423 -5.059 -0.961 1.00 0.00 C ATOM 345 NZ LYS A 24 -14.717 -4.480 -2.302 1.00 0.00 N ATOM 0 H LYS A 24 -12.955 -4.653 3.866 1.00 0.00 H new ATOM 0 HA LYS A 24 -15.052 -2.641 3.606 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.153 -5.606 2.957 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -16.198 -4.341 2.341 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.630 -3.499 1.603 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.582 -5.236 1.376 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.069 -4.546 0.320 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.064 -3.184 -0.134 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.344 -5.118 -0.819 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.807 -6.078 -0.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.272 -5.160 -2.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.260 -3.600 -2.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.824 -4.275 -2.795 1.00 0.00 H new ATOM 359 N VAL A 25 -14.998 -4.883 5.938 1.00 0.00 N ATOM 360 CA VAL A 25 -15.660 -5.353 7.149 1.00 0.00 C ATOM 361 C VAL A 25 -15.692 -4.264 8.216 1.00 0.00 C ATOM 362 O VAL A 25 -16.759 -3.767 8.579 1.00 0.00 O ATOM 363 CB VAL A 25 -14.960 -6.599 7.724 1.00 0.00 C ATOM 364 CG1 VAL A 25 -15.777 -7.194 8.861 1.00 0.00 C ATOM 365 CG2 VAL A 25 -14.723 -7.629 6.630 1.00 0.00 C ATOM 0 H VAL A 25 -14.037 -5.206 5.830 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.681 -5.615 6.870 1.00 0.00 H new ATOM 0 HB VAL A 25 -13.992 -6.298 8.124 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -15.267 -8.073 9.254 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -15.890 -6.455 9.654 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -16.761 -7.481 8.490 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -14.228 -8.503 7.054 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.678 -7.927 6.198 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.093 -7.196 5.853 1.00 0.00 H new ATOM 375 N CYS A 26 -14.517 -3.897 8.714 1.00 0.00 N ATOM 376 CA CYS A 26 -14.408 -2.866 9.739 1.00 0.00 C ATOM 377 C CYS A 26 -14.386 -1.475 9.112 1.00 0.00 C ATOM 378 O CYS A 26 -15.265 -0.653 9.368 1.00 0.00 O ATOM 379 CB CYS A 26 -13.146 -3.080 10.576 1.00 0.00 C ATOM 380 SG CYS A 26 -12.804 -1.740 11.762 1.00 0.00 S ATOM 0 H CYS A 26 -13.625 -4.299 8.424 1.00 0.00 H new ATOM 0 HA CYS A 26 -15.282 -2.940 10.386 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.240 -4.019 11.122 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.292 -3.185 9.906 1.00 0.00 H new ATOM 385 N GLY A 27 -13.374 -1.219 8.288 1.00 0.00 N ATOM 386 CA GLY A 27 -13.256 0.072 7.637 1.00 0.00 C ATOM 387 C GLY A 27 -11.904 0.718 7.871 1.00 0.00 C ATOM 388 O GLY A 27 -11.522 1.650 7.162 1.00 0.00 O ATOM 0 H GLY A 27 -12.634 -1.883 8.060 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.417 -0.049 6.566 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.040 0.734 8.005 1.00 0.00 H new ATOM 392 N HIS A 28 -11.179 0.224 8.869 1.00 0.00 N ATOM 393 CA HIS A 28 -9.862 0.760 9.195 1.00 0.00 C ATOM 394 C HIS A 28 -8.954 0.755 7.969 1.00 0.00 C ATOM 395 O HIS A 28 -9.320 0.235 6.914 1.00 0.00 O ATOM 396 CB HIS A 28 -9.222 -0.053 10.321 1.00 0.00 C ATOM 397 CG HIS A 28 -9.472 0.513 11.685 1.00 0.00 C ATOM 398 ND1 HIS A 28 -9.795 -0.267 12.776 1.00 0.00 N ATOM 399 CD2 HIS A 28 -9.443 1.790 12.133 1.00 0.00 C ATOM 400 CE1 HIS A 28 -9.956 0.507 13.835 1.00 0.00 C ATOM 401 NE2 HIS A 28 -9.747 1.759 13.471 1.00 0.00 N ATOM 0 H HIS A 28 -11.481 -0.546 9.466 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.989 1.790 9.527 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.604 -1.073 10.284 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.147 -0.109 10.151 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.222 2.670 11.547 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.214 0.173 14.829 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.803 2.572 14.085 1.00 0.00 H new ATOM 409 N THR A 29 -7.768 1.338 8.114 1.00 0.00 N ATOM 410 CA THR A 29 -6.809 1.402 7.018 1.00 0.00 C ATOM 411 C THR A 29 -5.422 0.966 7.476 1.00 0.00 C ATOM 412 O THR A 29 -4.996 1.282 8.587 1.00 0.00 O ATOM 413 CB THR A 29 -6.720 2.824 6.433 1.00 0.00 C ATOM 414 OG1 THR A 29 -7.731 3.657 7.012 1.00 0.00 O ATOM 415 CG2 THR A 29 -6.884 2.797 4.920 1.00 0.00 C ATOM 0 H THR A 29 -7.449 1.773 8.980 1.00 0.00 H new ATOM 0 HA THR A 29 -7.165 0.720 6.245 1.00 0.00 H new ATOM 0 HB THR A 29 -5.736 3.230 6.670 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.666 4.560 6.636 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.818 3.812 4.529 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.096 2.186 4.479 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.856 2.373 4.667 1.00 0.00 H new ATOM 423 N TYR A 30 -4.722 0.238 6.613 1.00 0.00 N ATOM 424 CA TYR A 30 -3.382 -0.243 6.929 1.00 0.00 C ATOM 425 C TYR A 30 -2.486 -0.212 5.695 1.00 0.00 C ATOM 426 O TYR A 30 -2.930 0.140 4.602 1.00 0.00 O ATOM 427 CB TYR A 30 -3.448 -1.665 7.489 1.00 0.00 C ATOM 428 CG TYR A 30 -4.638 -1.908 8.389 1.00 0.00 C ATOM 429 CD1 TYR A 30 -4.678 -1.384 9.676 1.00 0.00 C ATOM 430 CD2 TYR A 30 -5.722 -2.660 7.955 1.00 0.00 C ATOM 431 CE1 TYR A 30 -5.763 -1.603 10.503 1.00 0.00 C ATOM 432 CE2 TYR A 30 -6.812 -2.883 8.774 1.00 0.00 C ATOM 433 CZ TYR A 30 -6.828 -2.353 10.047 1.00 0.00 C ATOM 434 OH TYR A 30 -7.911 -2.574 10.866 1.00 0.00 O ATOM 0 H TYR A 30 -5.060 -0.032 5.689 1.00 0.00 H new ATOM 0 HA TYR A 30 -2.954 0.419 7.682 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.480 -2.372 6.660 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.534 -1.869 8.047 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.847 -0.796 10.036 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.713 -3.078 6.959 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.778 -1.190 11.501 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -7.647 -3.469 8.419 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.029 -3.538 10.999 1.00 0.00 H new ATOM 444 N GLU A 31 -1.223 -0.582 5.879 1.00 0.00 N ATOM 445 CA GLU A 31 -0.264 -0.596 4.781 1.00 0.00 C ATOM 446 C GLU A 31 -0.370 -1.892 3.982 1.00 0.00 C ATOM 447 O GLU A 31 -0.654 -2.952 4.537 1.00 0.00 O ATOM 448 CB GLU A 31 1.160 -0.428 5.316 1.00 0.00 C ATOM 449 CG GLU A 31 2.236 -0.684 4.274 1.00 0.00 C ATOM 450 CD GLU A 31 3.502 0.107 4.536 1.00 0.00 C ATOM 451 OE1 GLU A 31 3.797 0.379 5.719 1.00 0.00 O ATOM 452 OE2 GLU A 31 4.198 0.455 3.559 1.00 0.00 O ATOM 0 H GLU A 31 -0.840 -0.876 6.778 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.496 0.238 4.119 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.276 0.584 5.705 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.307 -1.110 6.153 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.474 -1.748 4.257 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.850 -0.428 3.288 1.00 0.00 H new ATOM 459 N GLU A 32 -0.139 -1.796 2.677 1.00 0.00 N ATOM 460 CA GLU A 32 -0.210 -2.960 1.802 1.00 0.00 C ATOM 461 C GLU A 32 0.694 -4.079 2.310 1.00 0.00 C ATOM 462 O GLU A 32 0.218 -5.124 2.752 1.00 0.00 O ATOM 463 CB GLU A 32 0.186 -2.578 0.374 1.00 0.00 C ATOM 464 CG GLU A 32 -0.297 -3.564 -0.676 1.00 0.00 C ATOM 465 CD GLU A 32 0.029 -3.118 -2.089 1.00 0.00 C ATOM 466 OE1 GLU A 32 -0.771 -2.355 -2.670 1.00 0.00 O ATOM 467 OE2 GLU A 32 1.084 -3.532 -2.612 1.00 0.00 O ATOM 0 H GLU A 32 0.099 -0.925 2.202 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.239 -3.320 1.802 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.217 -1.591 0.146 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.272 -2.501 0.315 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.158 -4.537 -0.492 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.375 -3.693 -0.579 1.00 0.00 H new ATOM 474 N ASP A 33 2.001 -3.851 2.243 1.00 0.00 N ATOM 475 CA ASP A 33 2.974 -4.838 2.697 1.00 0.00 C ATOM 476 C ASP A 33 2.637 -5.327 4.103 1.00 0.00 C ATOM 477 O ASP A 33 2.924 -6.469 4.459 1.00 0.00 O ATOM 478 CB ASP A 33 4.384 -4.246 2.674 1.00 0.00 C ATOM 479 CG ASP A 33 4.738 -3.648 1.326 1.00 0.00 C ATOM 480 OD1 ASP A 33 4.174 -2.590 0.980 1.00 0.00 O ATOM 481 OD2 ASP A 33 5.579 -4.240 0.618 1.00 0.00 O ATOM 0 H ASP A 33 2.411 -2.991 1.879 1.00 0.00 H new ATOM 0 HA ASP A 33 2.935 -5.689 2.016 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.465 -3.477 3.442 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.106 -5.024 2.924 1.00 0.00 H new ATOM 486 N ALA A 34 2.028 -4.453 4.897 1.00 0.00 N ATOM 487 CA ALA A 34 1.651 -4.796 6.263 1.00 0.00 C ATOM 488 C ALA A 34 0.527 -5.825 6.281 1.00 0.00 C ATOM 489 O ALA A 34 0.698 -6.936 6.784 1.00 0.00 O ATOM 490 CB ALA A 34 1.237 -3.546 7.025 1.00 0.00 C ATOM 0 H ALA A 34 1.785 -3.502 4.618 1.00 0.00 H new ATOM 0 HA ALA A 34 2.519 -5.237 6.753 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.958 -3.816 8.043 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.070 -2.843 7.051 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.386 -3.081 6.527 1.00 0.00 H new ATOM 496 N ILE A 35 -0.622 -5.450 5.729 1.00 0.00 N ATOM 497 CA ILE A 35 -1.774 -6.342 5.681 1.00 0.00 C ATOM 498 C ILE A 35 -1.477 -7.578 4.840 1.00 0.00 C ATOM 499 O ILE A 35 -2.140 -8.607 4.973 1.00 0.00 O ATOM 500 CB ILE A 35 -3.014 -5.630 5.108 1.00 0.00 C ATOM 501 CG1 ILE A 35 -4.260 -6.496 5.301 1.00 0.00 C ATOM 502 CG2 ILE A 35 -2.807 -5.309 3.636 1.00 0.00 C ATOM 503 CD1 ILE A 35 -4.587 -6.771 6.752 1.00 0.00 C ATOM 0 H ILE A 35 -0.780 -4.534 5.309 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.982 -6.645 6.707 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.159 -4.693 5.646 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.111 -6.002 4.833 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.117 -7.444 4.783 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.692 -4.806 3.245 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.940 -4.658 3.524 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.641 -6.233 3.082 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.482 -7.390 6.812 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.752 -7.293 7.220 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.763 -5.828 7.270 1.00 0.00 H new ATOM 515 N VAL A 36 -0.474 -7.471 3.974 1.00 0.00 N ATOM 516 CA VAL A 36 -0.087 -8.582 3.112 1.00 0.00 C ATOM 517 C VAL A 36 0.871 -9.526 3.829 1.00 0.00 C ATOM 518 O VAL A 36 0.796 -10.744 3.668 1.00 0.00 O ATOM 519 CB VAL A 36 0.577 -8.081 1.816 1.00 0.00 C ATOM 520 CG1 VAL A 36 1.154 -9.246 1.026 1.00 0.00 C ATOM 521 CG2 VAL A 36 -0.419 -7.298 0.975 1.00 0.00 C ATOM 0 H VAL A 36 0.085 -6.627 3.851 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.001 -9.120 2.859 1.00 0.00 H new ATOM 0 HB VAL A 36 1.396 -7.413 2.083 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.619 -8.872 0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.902 -9.760 1.630 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.355 -9.941 0.768 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.068 -6.952 0.063 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.261 -7.940 0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.779 -6.440 1.542 1.00 0.00 H new ATOM 531 N ARG A 37 1.772 -8.955 4.622 1.00 0.00 N ATOM 532 CA ARG A 37 2.746 -9.746 5.365 1.00 0.00 C ATOM 533 C ARG A 37 2.134 -10.298 6.649 1.00 0.00 C ATOM 534 O ARG A 37 2.594 -11.306 7.184 1.00 0.00 O ATOM 535 CB ARG A 37 3.976 -8.899 5.696 1.00 0.00 C ATOM 536 CG ARG A 37 3.761 -7.942 6.858 1.00 0.00 C ATOM 537 CD ARG A 37 5.014 -7.131 7.151 1.00 0.00 C ATOM 538 NE ARG A 37 5.570 -7.440 8.465 1.00 0.00 N ATOM 539 CZ ARG A 37 6.775 -7.047 8.864 1.00 0.00 C ATOM 540 NH1 ARG A 37 7.545 -6.333 8.055 1.00 0.00 N ATOM 541 NH2 ARG A 37 7.211 -7.368 10.076 1.00 0.00 N ATOM 0 H ARG A 37 1.848 -7.948 4.766 1.00 0.00 H new ATOM 0 HA ARG A 37 3.049 -10.585 4.738 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.810 -9.561 5.930 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.261 -8.327 4.813 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.936 -7.268 6.628 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.475 -8.505 7.746 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.763 -7.331 6.384 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.779 -6.068 7.098 1.00 0.00 H new ATOM 0 HE ARG A 37 5.003 -7.987 9.112 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.213 -6.084 7.123 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.469 -6.033 8.364 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.621 -7.917 10.702 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.136 -7.066 10.382 1.00 0.00 H new ATOM 555 N MET A 38 1.094 -9.630 7.137 1.00 0.00 N ATOM 556 CA MET A 38 0.419 -10.054 8.358 1.00 0.00 C ATOM 557 C MET A 38 -0.445 -11.285 8.101 1.00 0.00 C ATOM 558 O MET A 38 -0.305 -12.304 8.778 1.00 0.00 O ATOM 559 CB MET A 38 -0.444 -8.917 8.910 1.00 0.00 C ATOM 560 CG MET A 38 -1.280 -9.319 10.114 1.00 0.00 C ATOM 561 SD MET A 38 -3.052 -9.192 9.803 1.00 0.00 S ATOM 562 CE MET A 38 -3.437 -7.667 10.660 1.00 0.00 C ATOM 0 H MET A 38 0.701 -8.793 6.706 1.00 0.00 H new ATOM 0 HA MET A 38 1.180 -10.313 9.094 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.201 -8.084 9.188 1.00 0.00 H new ATOM 0 HB3 MET A 38 -1.106 -8.558 8.122 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.037 -10.344 10.394 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.017 -8.686 10.961 1.00 0.00 H new ATOM 0 HE1 MET A 38 -4.274 -7.174 10.166 1.00 0.00 H new ATOM 0 HE2 MET A 38 -3.704 -7.888 11.693 1.00 0.00 H new ATOM 0 HE3 MET A 38 -2.567 -7.010 10.642 1.00 0.00 H new ATOM 572 N ILE A 39 -1.337 -11.183 7.122 1.00 0.00 N ATOM 573 CA ILE A 39 -2.222 -12.288 6.777 1.00 0.00 C ATOM 574 C ILE A 39 -1.426 -13.541 6.427 1.00 0.00 C ATOM 575 O ILE A 39 -1.823 -14.655 6.766 1.00 0.00 O ATOM 576 CB ILE A 39 -3.137 -11.928 5.592 1.00 0.00 C ATOM 577 CG1 ILE A 39 -3.981 -10.697 5.927 1.00 0.00 C ATOM 578 CG2 ILE A 39 -4.030 -13.107 5.235 1.00 0.00 C ATOM 579 CD1 ILE A 39 -4.634 -10.064 4.718 1.00 0.00 C ATOM 0 H ILE A 39 -1.466 -10.346 6.553 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.838 -12.484 7.655 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.514 -11.695 4.729 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.754 -10.980 6.641 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.350 -9.957 6.418 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.671 -12.837 4.396 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.412 -13.961 4.959 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.648 -13.369 6.094 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.216 -9.197 5.031 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.865 -9.749 4.012 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.292 -10.789 4.238 1.00 0.00 H new ATOM 591 N GLU A 40 -0.299 -13.349 5.748 1.00 0.00 N ATOM 592 CA GLU A 40 0.554 -14.465 5.354 1.00 0.00 C ATOM 593 C GLU A 40 1.319 -15.015 6.554 1.00 0.00 C ATOM 594 O GLU A 40 1.655 -16.199 6.599 1.00 0.00 O ATOM 595 CB GLU A 40 1.536 -14.025 4.267 1.00 0.00 C ATOM 596 CG GLU A 40 0.896 -13.859 2.898 1.00 0.00 C ATOM 597 CD GLU A 40 1.519 -14.760 1.850 1.00 0.00 C ATOM 598 OE1 GLU A 40 1.892 -15.901 2.193 1.00 0.00 O ATOM 599 OE2 GLU A 40 1.633 -14.324 0.685 1.00 0.00 O ATOM 0 H GLU A 40 0.044 -12.433 5.460 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.084 -15.255 4.959 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.992 -13.080 4.562 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.339 -14.758 4.197 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.170 -14.075 2.971 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.989 -12.820 2.581 1.00 0.00 H new ATOM 606 N SER A 41 1.592 -14.148 7.523 1.00 0.00 N ATOM 607 CA SER A 41 2.321 -14.545 8.722 1.00 0.00 C ATOM 608 C SER A 41 1.387 -15.200 9.734 1.00 0.00 C ATOM 609 O SER A 41 1.822 -15.973 10.588 1.00 0.00 O ATOM 610 CB SER A 41 3.006 -13.331 9.353 1.00 0.00 C ATOM 611 OG SER A 41 4.130 -12.926 8.591 1.00 0.00 O ATOM 0 H SER A 41 1.319 -13.165 7.502 1.00 0.00 H new ATOM 0 HA SER A 41 3.080 -15.272 8.432 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.297 -12.507 9.427 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.319 -13.573 10.368 1.00 0.00 H new ATOM 0 HG SER A 41 3.848 -12.279 7.911 1.00 0.00 H new ATOM 617 N ARG A 42 0.100 -14.885 9.632 1.00 0.00 N ATOM 618 CA ARG A 42 -0.897 -15.441 10.539 1.00 0.00 C ATOM 619 C ARG A 42 -1.363 -16.812 10.060 1.00 0.00 C ATOM 620 O ARG A 42 -1.365 -17.779 10.822 1.00 0.00 O ATOM 621 CB ARG A 42 -2.094 -14.496 10.657 1.00 0.00 C ATOM 622 CG ARG A 42 -1.730 -13.113 11.172 1.00 0.00 C ATOM 623 CD ARG A 42 -2.045 -12.970 12.653 1.00 0.00 C ATOM 624 NE ARG A 42 -1.191 -11.977 13.301 1.00 0.00 N ATOM 625 CZ ARG A 42 0.114 -12.142 13.490 1.00 0.00 C ATOM 626 NH1 ARG A 42 0.711 -13.254 13.084 1.00 0.00 N ATOM 627 NH2 ARG A 42 0.824 -11.193 14.087 1.00 0.00 N ATOM 0 H ARG A 42 -0.277 -14.248 8.930 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.435 -15.555 11.520 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.566 -14.398 9.680 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.832 -14.940 11.324 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.669 -12.929 11.005 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.277 -12.358 10.608 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.090 -12.685 12.775 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.918 -13.934 13.145 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.620 -11.110 13.626 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.168 -13.986 12.625 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.713 -13.378 13.230 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.368 -10.336 14.401 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.826 -11.320 14.232 1.00 0.00 H new ATOM 641 N GLN A 43 -1.758 -16.888 8.793 1.00 0.00 N ATOM 642 CA GLN A 43 -2.228 -18.141 8.213 1.00 0.00 C ATOM 643 C GLN A 43 -1.221 -19.261 8.450 1.00 0.00 C ATOM 644 O GLN A 43 -1.584 -20.355 8.884 1.00 0.00 O ATOM 645 CB GLN A 43 -2.477 -17.971 6.713 1.00 0.00 C ATOM 646 CG GLN A 43 -3.945 -18.055 6.327 1.00 0.00 C ATOM 647 CD GLN A 43 -4.327 -19.416 5.779 1.00 0.00 C ATOM 648 OE1 GLN A 43 -4.745 -20.303 6.524 1.00 0.00 O ATOM 649 NE2 GLN A 43 -4.185 -19.589 4.470 1.00 0.00 N ATOM 0 H GLN A 43 -1.762 -16.097 8.149 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.165 -18.410 8.701 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.081 -17.007 6.394 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.923 -18.738 6.172 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -4.559 -17.833 7.200 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.165 -17.292 5.580 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -3.835 -18.827 3.890 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.426 -20.484 4.045 1.00 0.00 H new ATOM 658 N LYS A 44 0.046 -18.982 8.162 1.00 0.00 N ATOM 659 CA LYS A 44 1.107 -19.966 8.344 1.00 0.00 C ATOM 660 C LYS A 44 1.137 -20.473 9.783 1.00 0.00 C ATOM 661 O LYS A 44 1.600 -21.582 10.050 1.00 0.00 O ATOM 662 CB LYS A 44 2.462 -19.358 7.978 1.00 0.00 C ATOM 663 CG LYS A 44 2.922 -18.274 8.938 1.00 0.00 C ATOM 664 CD LYS A 44 4.121 -18.726 9.755 1.00 0.00 C ATOM 665 CE LYS A 44 5.415 -18.598 8.965 1.00 0.00 C ATOM 666 NZ LYS A 44 6.564 -18.235 9.839 1.00 0.00 N ATOM 0 H LYS A 44 0.363 -18.082 7.801 1.00 0.00 H new ATOM 0 HA LYS A 44 0.904 -20.809 7.684 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.211 -20.150 7.952 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.404 -18.941 6.973 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.180 -17.376 8.377 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.104 -18.008 9.607 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.188 -18.129 10.665 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.983 -19.762 10.063 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.627 -19.540 8.459 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.294 -17.841 8.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.427 -18.157 9.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.373 -17.324 10.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.696 -18.970 10.563 1.00 0.00 H new ATOM 680 N ARG A 45 0.640 -19.655 10.704 1.00 0.00 N ATOM 681 CA ARG A 45 0.611 -20.021 12.115 1.00 0.00 C ATOM 682 C ARG A 45 -0.803 -20.395 12.551 1.00 0.00 C ATOM 683 O ARG A 45 -1.149 -20.294 13.728 1.00 0.00 O ATOM 684 CB ARG A 45 1.132 -18.868 12.975 1.00 0.00 C ATOM 685 CG ARG A 45 2.646 -18.729 12.954 1.00 0.00 C ATOM 686 CD ARG A 45 3.281 -19.378 14.174 1.00 0.00 C ATOM 687 NE ARG A 45 3.806 -20.708 13.877 1.00 0.00 N ATOM 688 CZ ARG A 45 4.381 -21.490 14.783 1.00 0.00 C ATOM 689 NH1 ARG A 45 4.505 -21.078 16.037 1.00 0.00 N ATOM 690 NH2 ARG A 45 4.834 -22.688 14.435 1.00 0.00 N ATOM 0 H ARG A 45 0.252 -18.734 10.499 1.00 0.00 H new ATOM 0 HA ARG A 45 1.257 -20.888 12.252 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.685 -17.936 12.628 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.803 -19.016 14.004 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.042 -19.188 12.048 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.915 -17.673 12.920 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.087 -18.744 14.543 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.542 -19.450 14.972 1.00 0.00 H new ATOM 0 HE ARG A 45 3.727 -21.055 12.921 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.158 -20.158 16.308 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.947 -21.681 16.731 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.741 -23.008 13.471 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.276 -23.288 15.131 1.00 0.00 H new ATOM 704 N LYS A 46 -1.617 -20.827 11.593 1.00 0.00 N ATOM 705 CA LYS A 46 -2.993 -21.216 11.875 1.00 0.00 C ATOM 706 C LYS A 46 -3.723 -20.119 12.643 1.00 0.00 C ATOM 707 O LYS A 46 -4.626 -20.394 13.433 1.00 0.00 O ATOM 708 CB LYS A 46 -3.021 -22.519 12.678 1.00 0.00 C ATOM 709 CG LYS A 46 -2.577 -23.734 11.882 1.00 0.00 C ATOM 710 CD LYS A 46 -2.986 -25.028 12.564 1.00 0.00 C ATOM 711 CE LYS A 46 -4.345 -25.509 12.079 1.00 0.00 C ATOM 712 NZ LYS A 46 -4.269 -26.103 10.716 1.00 0.00 N ATOM 0 H LYS A 46 -1.346 -20.916 10.614 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.503 -21.370 10.924 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.377 -22.412 13.551 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.033 -22.687 13.047 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.012 -23.695 10.884 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.494 -23.713 11.759 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.237 -25.795 12.370 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.016 -24.878 13.643 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.738 -26.249 12.776 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.045 -24.673 12.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.165 -26.583 10.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.099 -25.351 10.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.490 -26.791 10.680 1.00 0.00 H new ATOM 726 N LYS A 47 -3.327 -18.873 12.404 1.00 0.00 N ATOM 727 CA LYS A 47 -3.945 -17.732 13.070 1.00 0.00 C ATOM 728 C LYS A 47 -4.914 -17.016 12.136 1.00 0.00 C ATOM 729 O LYS A 47 -5.168 -17.471 11.020 1.00 0.00 O ATOM 730 CB LYS A 47 -2.871 -16.756 13.555 1.00 0.00 C ATOM 731 CG LYS A 47 -2.823 -16.605 15.066 1.00 0.00 C ATOM 732 CD LYS A 47 -2.096 -15.335 15.477 1.00 0.00 C ATOM 733 CE LYS A 47 -0.611 -15.416 15.160 1.00 0.00 C ATOM 734 NZ LYS A 47 0.181 -14.444 15.963 1.00 0.00 N ATOM 0 H LYS A 47 -2.580 -18.628 11.754 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.504 -18.103 13.929 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.897 -17.095 13.201 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.051 -15.779 13.106 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.838 -16.589 15.463 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.323 -17.469 15.503 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.533 -14.481 14.960 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.232 -15.166 16.545 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.252 -16.426 15.356 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.455 -15.223 14.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.178 -14.483 15.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.188 -13.484 15.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.107 -14.686 16.972 1.00 0.00 H new ATOM 748 N LYS A 48 -5.451 -15.892 12.597 1.00 0.00 N ATOM 749 CA LYS A 48 -6.390 -15.110 11.801 1.00 0.00 C ATOM 750 C LYS A 48 -6.015 -13.631 11.813 1.00 0.00 C ATOM 751 O LYS A 48 -5.405 -13.144 12.765 1.00 0.00 O ATOM 752 CB LYS A 48 -7.814 -15.289 12.333 1.00 0.00 C ATOM 753 CG LYS A 48 -8.081 -14.533 13.623 1.00 0.00 C ATOM 754 CD LYS A 48 -8.874 -15.375 14.609 1.00 0.00 C ATOM 755 CE LYS A 48 -8.003 -16.436 15.263 1.00 0.00 C ATOM 756 NZ LYS A 48 -8.769 -17.678 15.558 1.00 0.00 N ATOM 0 H LYS A 48 -5.252 -15.502 13.518 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.344 -15.470 10.773 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.521 -14.956 11.573 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.000 -16.350 12.498 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.134 -14.237 14.075 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.629 -13.617 13.402 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.303 -14.731 15.377 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.707 -15.854 14.093 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.165 -16.673 14.607 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.582 -16.041 16.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.140 -18.376 16.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.553 -17.457 16.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.150 -18.070 14.673 1.00 0.00 H new ATOM 770 N ALA A 49 -6.384 -12.923 10.751 1.00 0.00 N ATOM 771 CA ALA A 49 -6.088 -11.500 10.642 1.00 0.00 C ATOM 772 C ALA A 49 -7.090 -10.669 11.437 1.00 0.00 C ATOM 773 O ALA A 49 -8.270 -10.604 11.093 1.00 0.00 O ATOM 774 CB ALA A 49 -6.086 -11.072 9.182 1.00 0.00 C ATOM 0 H ALA A 49 -6.888 -13.311 9.954 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.097 -11.327 11.062 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.864 -10.007 9.115 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.328 -11.636 8.639 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.065 -11.266 8.745 1.00 0.00 H new ATOM 780 N TYR A 50 -6.612 -10.035 12.502 1.00 0.00 N ATOM 781 CA TYR A 50 -7.466 -9.210 13.348 1.00 0.00 C ATOM 782 C TYR A 50 -7.068 -7.740 13.255 1.00 0.00 C ATOM 783 O TYR A 50 -5.917 -7.413 12.963 1.00 0.00 O ATOM 784 CB TYR A 50 -7.388 -9.680 14.801 1.00 0.00 C ATOM 785 CG TYR A 50 -5.978 -9.956 15.273 1.00 0.00 C ATOM 786 CD1 TYR A 50 -5.410 -11.216 15.131 1.00 0.00 C ATOM 787 CD2 TYR A 50 -5.214 -8.956 15.862 1.00 0.00 C ATOM 788 CE1 TYR A 50 -4.123 -11.473 15.561 1.00 0.00 C ATOM 789 CE2 TYR A 50 -3.925 -9.203 16.294 1.00 0.00 C ATOM 790 CZ TYR A 50 -3.384 -10.463 16.142 1.00 0.00 C ATOM 791 OH TYR A 50 -2.101 -10.713 16.572 1.00 0.00 O ATOM 0 H TYR A 50 -5.637 -10.077 12.800 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.492 -9.313 12.995 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -7.836 -8.922 15.444 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -7.984 -10.586 14.914 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.985 -12.009 14.676 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.635 -7.969 15.984 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.698 -12.459 15.443 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.344 -8.414 16.748 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.720 -9.896 16.956 1.00 0.00 H new ATOM 801 N CYS A 51 -8.029 -6.857 13.507 1.00 0.00 N ATOM 802 CA CYS A 51 -7.781 -5.421 13.453 1.00 0.00 C ATOM 803 C CYS A 51 -6.560 -5.048 14.289 1.00 0.00 C ATOM 804 O CYS A 51 -6.611 -4.992 15.518 1.00 0.00 O ATOM 805 CB CYS A 51 -9.007 -4.652 13.950 1.00 0.00 C ATOM 806 SG CYS A 51 -10.037 -3.955 12.619 1.00 0.00 S ATOM 0 H CYS A 51 -8.986 -7.111 13.751 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.586 -5.150 12.415 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -9.619 -5.319 14.557 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -8.676 -3.842 14.600 1.00 0.00 H new ATOM 811 N PRO A 52 -5.435 -4.785 13.608 1.00 0.00 N ATOM 812 CA PRO A 52 -4.180 -4.412 14.267 1.00 0.00 C ATOM 813 C PRO A 52 -4.243 -3.021 14.889 1.00 0.00 C ATOM 814 O PRO A 52 -3.384 -2.650 15.688 1.00 0.00 O ATOM 815 CB PRO A 52 -3.159 -4.441 13.127 1.00 0.00 C ATOM 816 CG PRO A 52 -3.960 -4.200 11.894 1.00 0.00 C ATOM 817 CD PRO A 52 -5.302 -4.832 12.142 1.00 0.00 C ATOM 0 HA PRO A 52 -3.938 -5.082 15.092 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.396 -3.674 13.259 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.643 -5.400 13.082 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.062 -3.133 11.697 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.476 -4.640 11.022 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.103 -4.282 11.648 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.340 -5.855 11.768 1.00 0.00 H new ATOM 825 N GLN A 53 -5.267 -2.258 14.519 1.00 0.00 N ATOM 826 CA GLN A 53 -5.441 -0.909 15.042 1.00 0.00 C ATOM 827 C GLN A 53 -5.692 -0.936 16.547 1.00 0.00 C ATOM 828 O GLN A 53 -6.789 -1.266 16.996 1.00 0.00 O ATOM 829 CB GLN A 53 -6.602 -0.210 14.333 1.00 0.00 C ATOM 830 CG GLN A 53 -6.347 1.263 14.054 1.00 0.00 C ATOM 831 CD GLN A 53 -5.252 1.482 13.029 1.00 0.00 C ATOM 832 OE1 GLN A 53 -5.362 1.043 11.883 1.00 0.00 O ATOM 833 NE2 GLN A 53 -4.188 2.165 13.434 1.00 0.00 N ATOM 0 H GLN A 53 -5.988 -2.551 13.860 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.522 -0.353 14.855 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.801 -0.720 13.391 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.500 -0.305 14.944 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.268 1.727 13.701 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.075 1.763 14.983 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.138 2.510 14.392 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.420 2.344 12.787 1.00 0.00 H new ATOM 842 N ILE A 54 -4.668 -0.588 17.318 1.00 0.00 N ATOM 843 CA ILE A 54 -4.778 -0.572 18.772 1.00 0.00 C ATOM 844 C ILE A 54 -5.992 0.233 19.222 1.00 0.00 C ATOM 845 O ILE A 54 -6.008 1.459 19.127 1.00 0.00 O ATOM 846 CB ILE A 54 -3.514 0.017 19.426 1.00 0.00 C ATOM 847 CG1 ILE A 54 -2.263 -0.681 18.889 1.00 0.00 C ATOM 848 CG2 ILE A 54 -3.592 -0.113 20.940 1.00 0.00 C ATOM 849 CD1 ILE A 54 -1.324 0.247 18.150 1.00 0.00 C ATOM 0 H ILE A 54 -3.753 -0.313 16.961 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.893 -1.608 19.091 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.452 1.076 19.175 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.728 -1.140 19.720 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.565 -1.487 18.220 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.692 0.308 21.388 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.466 0.426 21.307 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.675 -1.166 21.211 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.459 -0.315 17.797 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.843 0.687 17.298 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.992 1.039 18.821 1.00 0.00 H new ATOM 861 N GLY A 55 -7.010 -0.467 19.716 1.00 0.00 N ATOM 862 CA GLY A 55 -8.214 0.199 20.176 1.00 0.00 C ATOM 863 C GLY A 55 -9.474 -0.425 19.609 1.00 0.00 C ATOM 864 O GLY A 55 -10.567 -0.231 20.143 1.00 0.00 O ATOM 0 H GLY A 55 -7.021 -1.483 19.805 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.252 0.163 21.265 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.174 1.251 19.893 1.00 0.00 H new ATOM 868 N CYS A 56 -9.324 -1.177 18.524 1.00 0.00 N ATOM 869 CA CYS A 56 -10.458 -1.830 17.882 1.00 0.00 C ATOM 870 C CYS A 56 -10.783 -3.154 18.569 1.00 0.00 C ATOM 871 O CYS A 56 -9.913 -3.782 19.171 1.00 0.00 O ATOM 872 CB CYS A 56 -10.164 -2.071 16.400 1.00 0.00 C ATOM 873 SG CYS A 56 -11.651 -2.156 15.351 1.00 0.00 S ATOM 0 H CYS A 56 -8.427 -1.349 18.070 1.00 0.00 H new ATOM 0 HA CYS A 56 -11.322 -1.172 17.971 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -9.519 -1.272 16.034 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -9.607 -3.002 16.298 1.00 0.00 H new ATOM 878 N SER A 57 -12.042 -3.570 18.474 1.00 0.00 N ATOM 879 CA SER A 57 -12.483 -4.817 19.089 1.00 0.00 C ATOM 880 C SER A 57 -12.608 -5.923 18.045 1.00 0.00 C ATOM 881 O SER A 57 -12.538 -7.109 18.369 1.00 0.00 O ATOM 882 CB SER A 57 -13.824 -4.614 19.796 1.00 0.00 C ATOM 883 OG SER A 57 -13.747 -5.001 21.157 1.00 0.00 O ATOM 0 H SER A 57 -12.774 -3.062 17.977 1.00 0.00 H new ATOM 0 HA SER A 57 -11.735 -5.117 19.823 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.119 -3.567 19.729 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.596 -5.196 19.292 1.00 0.00 H new ATOM 0 HG SER A 57 -14.616 -4.860 21.587 1.00 0.00 H new ATOM 889 N HIS A 58 -12.792 -5.525 16.790 1.00 0.00 N ATOM 890 CA HIS A 58 -12.926 -6.482 15.697 1.00 0.00 C ATOM 891 C HIS A 58 -11.701 -7.387 15.614 1.00 0.00 C ATOM 892 O HIS A 58 -10.613 -7.020 16.060 1.00 0.00 O ATOM 893 CB HIS A 58 -13.124 -5.748 14.370 1.00 0.00 C ATOM 894 CG HIS A 58 -13.747 -6.596 13.304 1.00 0.00 C ATOM 895 ND1 HIS A 58 -14.985 -7.187 13.441 1.00 0.00 N ATOM 896 CD2 HIS A 58 -13.296 -6.948 12.077 1.00 0.00 C ATOM 897 CE1 HIS A 58 -15.268 -7.869 12.345 1.00 0.00 C ATOM 898 NE2 HIS A 58 -14.260 -7.739 11.502 1.00 0.00 N ATOM 0 H HIS A 58 -12.852 -4.548 16.505 1.00 0.00 H new ATOM 0 HA HIS A 58 -13.801 -7.102 15.895 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -13.751 -4.872 14.539 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -12.158 -5.386 14.017 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -15.588 -7.110 14.260 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -12.354 -6.660 11.633 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -16.170 -8.436 12.169 1.00 0.00 H new ATOM 906 N THR A 59 -11.884 -8.572 15.041 1.00 0.00 N ATOM 907 CA THR A 59 -10.794 -9.530 14.901 1.00 0.00 C ATOM 908 C THR A 59 -11.040 -10.475 13.730 1.00 0.00 C ATOM 909 O THR A 59 -10.665 -11.647 13.777 1.00 0.00 O ATOM 910 CB THR A 59 -10.608 -10.360 16.185 1.00 0.00 C ATOM 911 OG1 THR A 59 -11.883 -10.770 16.693 1.00 0.00 O ATOM 912 CG2 THR A 59 -9.868 -9.558 17.245 1.00 0.00 C ATOM 0 H THR A 59 -12.777 -8.892 14.666 1.00 0.00 H new ATOM 0 HA THR A 59 -9.888 -8.953 14.715 1.00 0.00 H new ATOM 0 HB THR A 59 -10.015 -11.241 15.939 1.00 0.00 H new ATOM 0 HG1 THR A 59 -11.756 -11.299 17.508 1.00 0.00 H new ATOM 0 HG21 THR A 59 -9.748 -10.165 18.143 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.886 -9.273 16.866 1.00 0.00 H new ATOM 0 HG23 THR A 59 -10.438 -8.661 17.487 1.00 0.00 H new ATOM 920 N ASP A 60 -11.671 -9.959 12.682 1.00 0.00 N ATOM 921 CA ASP A 60 -11.965 -10.757 11.497 1.00 0.00 C ATOM 922 C ASP A 60 -11.706 -9.956 10.225 1.00 0.00 C ATOM 923 O ASP A 60 -12.535 -9.146 9.810 1.00 0.00 O ATOM 924 CB ASP A 60 -13.417 -11.235 11.526 1.00 0.00 C ATOM 925 CG ASP A 60 -13.534 -12.739 11.374 1.00 0.00 C ATOM 926 OD1 ASP A 60 -12.992 -13.280 10.387 1.00 0.00 O ATOM 927 OD2 ASP A 60 -14.167 -13.375 12.242 1.00 0.00 O ATOM 0 H ASP A 60 -11.989 -8.991 12.628 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.305 -11.624 11.500 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.878 -10.931 12.466 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.973 -10.747 10.725 1.00 0.00 H new ATOM 932 N ILE A 61 -10.550 -10.188 9.612 1.00 0.00 N ATOM 933 CA ILE A 61 -10.182 -9.488 8.387 1.00 0.00 C ATOM 934 C ILE A 61 -9.799 -10.471 7.286 1.00 0.00 C ATOM 935 O ILE A 61 -9.002 -11.384 7.505 1.00 0.00 O ATOM 936 CB ILE A 61 -9.010 -8.517 8.624 1.00 0.00 C ATOM 937 CG1 ILE A 61 -9.374 -7.498 9.705 1.00 0.00 C ATOM 938 CG2 ILE A 61 -8.636 -7.813 7.328 1.00 0.00 C ATOM 939 CD1 ILE A 61 -8.257 -6.528 10.021 1.00 0.00 C ATOM 0 H ILE A 61 -9.853 -10.855 9.943 1.00 0.00 H new ATOM 0 HA ILE A 61 -11.057 -8.919 8.074 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.147 -9.088 8.966 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -10.251 -6.937 9.383 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.651 -8.029 10.615 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.806 -7.130 7.511 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.340 -8.553 6.584 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.494 -7.251 6.959 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.585 -5.835 10.796 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.385 -7.079 10.373 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.995 -5.970 9.122 1.00 0.00 H new ATOM 951 N ARG A 62 -10.370 -10.277 6.102 1.00 0.00 N ATOM 952 CA ARG A 62 -10.089 -11.146 4.966 1.00 0.00 C ATOM 953 C ARG A 62 -9.478 -10.354 3.814 1.00 0.00 C ATOM 954 O ARG A 62 -9.917 -9.245 3.507 1.00 0.00 O ATOM 955 CB ARG A 62 -11.368 -11.842 4.499 1.00 0.00 C ATOM 956 CG ARG A 62 -11.371 -13.342 4.746 1.00 0.00 C ATOM 957 CD ARG A 62 -12.558 -14.015 4.074 1.00 0.00 C ATOM 958 NE ARG A 62 -13.393 -14.734 5.033 1.00 0.00 N ATOM 959 CZ ARG A 62 -14.344 -15.592 4.680 1.00 0.00 C ATOM 960 NH1 ARG A 62 -14.579 -15.836 3.398 1.00 0.00 N ATOM 961 NH2 ARG A 62 -15.063 -16.207 5.610 1.00 0.00 N ATOM 0 H ARG A 62 -11.030 -9.525 5.904 1.00 0.00 H new ATOM 0 HA ARG A 62 -9.371 -11.900 5.287 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -12.221 -11.397 5.010 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -11.503 -11.658 3.433 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.444 -13.776 4.370 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -11.401 -13.535 5.818 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -13.159 -13.264 3.562 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -12.199 -14.709 3.314 1.00 0.00 H new ATOM 0 HE ARG A 62 -13.238 -14.568 6.027 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -14.029 -15.365 2.680 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -15.310 -16.495 3.130 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -14.886 -16.021 6.597 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -15.793 -16.865 5.338 1.00 0.00 H new ATOM 975 N LYS A 63 -8.463 -10.930 3.179 1.00 0.00 N ATOM 976 CA LYS A 63 -7.792 -10.280 2.060 1.00 0.00 C ATOM 977 C LYS A 63 -8.789 -9.915 0.965 1.00 0.00 C ATOM 978 O LYS A 63 -8.562 -8.985 0.191 1.00 0.00 O ATOM 979 CB LYS A 63 -6.704 -11.194 1.490 1.00 0.00 C ATOM 980 CG LYS A 63 -5.560 -10.441 0.832 1.00 0.00 C ATOM 981 CD LYS A 63 -4.759 -11.342 -0.092 1.00 0.00 C ATOM 982 CE LYS A 63 -3.569 -11.960 0.625 1.00 0.00 C ATOM 983 NZ LYS A 63 -2.274 -11.477 0.069 1.00 0.00 N ATOM 0 H LYS A 63 -8.087 -11.847 3.421 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.332 -9.363 2.428 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.305 -11.815 2.293 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.153 -11.867 0.759 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.956 -9.598 0.266 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.904 -10.030 1.600 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.402 -12.132 -0.479 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.410 -10.767 -0.950 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.620 -11.720 1.687 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.618 -13.046 0.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.488 -11.921 0.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.213 -11.728 -0.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.216 -10.444 0.172 1.00 0.00 H new ATOM 997 N SER A 64 -9.894 -10.651 0.907 1.00 0.00 N ATOM 998 CA SER A 64 -10.925 -10.406 -0.095 1.00 0.00 C ATOM 999 C SER A 64 -11.665 -9.104 0.195 1.00 0.00 C ATOM 1000 O SER A 64 -12.215 -8.475 -0.709 1.00 0.00 O ATOM 1001 CB SER A 64 -11.916 -11.571 -0.133 1.00 0.00 C ATOM 1002 OG SER A 64 -11.604 -12.471 -1.183 1.00 0.00 O ATOM 0 H SER A 64 -10.099 -11.422 1.542 1.00 0.00 H new ATOM 0 HA SER A 64 -10.439 -10.319 -1.067 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.898 -12.099 0.820 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.928 -11.188 -0.266 1.00 0.00 H new ATOM 0 HG SER A 64 -12.250 -13.208 -1.185 1.00 0.00 H new ATOM 1008 N ASP A 65 -11.673 -8.705 1.462 1.00 0.00 N ATOM 1009 CA ASP A 65 -12.344 -7.477 1.873 1.00 0.00 C ATOM 1010 C ASP A 65 -11.361 -6.312 1.928 1.00 0.00 C ATOM 1011 O ASP A 65 -11.590 -5.325 2.627 1.00 0.00 O ATOM 1012 CB ASP A 65 -13.008 -7.665 3.238 1.00 0.00 C ATOM 1013 CG ASP A 65 -14.430 -8.176 3.125 1.00 0.00 C ATOM 1014 OD1 ASP A 65 -15.112 -7.820 2.142 1.00 0.00 O ATOM 1015 OD2 ASP A 65 -14.863 -8.932 4.021 1.00 0.00 O ATOM 0 H ASP A 65 -11.222 -9.214 2.222 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.111 -7.247 1.133 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.420 -8.365 3.831 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -13.008 -6.715 3.773 1.00 0.00 H new ATOM 1020 N LEU A 66 -10.265 -6.435 1.187 1.00 0.00 N ATOM 1021 CA LEU A 66 -9.244 -5.393 1.151 1.00 0.00 C ATOM 1022 C LEU A 66 -9.324 -4.597 -0.147 1.00 0.00 C ATOM 1023 O LEU A 66 -9.409 -5.170 -1.234 1.00 0.00 O ATOM 1024 CB LEU A 66 -7.852 -6.009 1.300 1.00 0.00 C ATOM 1025 CG LEU A 66 -7.500 -6.544 2.689 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -6.088 -7.109 2.701 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -7.649 -5.450 3.736 1.00 0.00 C ATOM 0 H LEU A 66 -10.060 -7.246 0.603 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.424 -4.714 1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.759 -6.825 0.584 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.112 -5.257 1.024 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.193 -7.349 2.934 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.855 -7.485 3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.016 -7.923 1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.380 -6.324 2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.394 -5.849 4.718 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.981 -4.623 3.496 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.679 -5.093 3.745 1.00 0.00 H new ATOM 1039 N ILE A 67 -9.295 -3.274 -0.027 1.00 0.00 N ATOM 1040 CA ILE A 67 -9.360 -2.399 -1.191 1.00 0.00 C ATOM 1041 C ILE A 67 -8.335 -1.275 -1.093 1.00 0.00 C ATOM 1042 O ILE A 67 -7.820 -0.985 -0.013 1.00 0.00 O ATOM 1043 CB ILE A 67 -10.763 -1.786 -1.356 1.00 0.00 C ATOM 1044 CG1 ILE A 67 -11.229 -1.162 -0.040 1.00 0.00 C ATOM 1045 CG2 ILE A 67 -11.751 -2.843 -1.826 1.00 0.00 C ATOM 1046 CD1 ILE A 67 -12.460 -0.294 -0.184 1.00 0.00 C ATOM 0 H ILE A 67 -9.227 -2.784 0.865 1.00 0.00 H new ATOM 0 HA ILE A 67 -9.136 -3.016 -2.062 1.00 0.00 H new ATOM 0 HB ILE A 67 -10.714 -1.001 -2.111 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.437 -1.957 0.676 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -10.419 -0.563 0.375 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -12.738 -2.394 -1.938 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -11.425 -3.245 -2.785 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -11.799 -3.648 -1.092 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -12.733 0.115 0.789 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -12.251 0.523 -0.875 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -13.285 -0.893 -0.570 1.00 0.00 H new ATOM 1058 N GLN A 68 -8.045 -0.645 -2.226 1.00 0.00 N ATOM 1059 CA GLN A 68 -7.082 0.449 -2.267 1.00 0.00 C ATOM 1060 C GLN A 68 -7.778 1.794 -2.091 1.00 0.00 C ATOM 1061 O GLN A 68 -8.639 2.168 -2.888 1.00 0.00 O ATOM 1062 CB GLN A 68 -6.312 0.429 -3.589 1.00 0.00 C ATOM 1063 CG GLN A 68 -5.648 -0.905 -3.886 1.00 0.00 C ATOM 1064 CD GLN A 68 -4.856 -0.888 -5.179 1.00 0.00 C ATOM 1065 OE1 GLN A 68 -5.421 -0.756 -6.265 1.00 0.00 O ATOM 1066 NE2 GLN A 68 -3.539 -1.021 -5.069 1.00 0.00 N ATOM 0 H GLN A 68 -8.463 -0.873 -3.128 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.381 0.313 -1.444 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.996 0.674 -4.402 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -5.550 1.208 -3.568 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -4.985 -1.168 -3.062 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.411 -1.682 -3.942 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.112 -1.128 -4.149 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -2.954 -1.016 -5.905 1.00 0.00 H new ATOM 1075 N ASP A 69 -7.400 2.517 -1.042 1.00 0.00 N ATOM 1076 CA ASP A 69 -7.988 3.822 -0.761 1.00 0.00 C ATOM 1077 C ASP A 69 -7.278 4.919 -1.549 1.00 0.00 C ATOM 1078 O ASP A 69 -6.061 5.073 -1.456 1.00 0.00 O ATOM 1079 CB ASP A 69 -7.918 4.125 0.736 1.00 0.00 C ATOM 1080 CG ASP A 69 -8.823 5.273 1.137 1.00 0.00 C ATOM 1081 OD1 ASP A 69 -9.194 6.074 0.253 1.00 0.00 O ATOM 1082 OD2 ASP A 69 -9.161 5.371 2.336 1.00 0.00 O ATOM 0 H ASP A 69 -6.689 2.222 -0.373 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.033 3.796 -1.070 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.197 3.233 1.298 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -6.890 4.365 1.008 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.047 5.677 -2.324 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.491 6.758 -3.129 1.00 0.00 C ATOM 1089 C GLU A 70 -7.490 8.071 -2.351 1.00 0.00 C ATOM 1090 O GLU A 70 -6.492 8.790 -2.327 1.00 0.00 O ATOM 1091 CB GLU A 70 -8.287 6.921 -4.425 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.958 8.195 -5.185 1.00 0.00 C ATOM 1093 CD GLU A 70 -7.748 7.952 -6.667 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -8.608 7.292 -7.288 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -6.723 8.421 -7.206 1.00 0.00 O ATOM 0 H GLU A 70 -9.057 5.562 -2.411 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.461 6.500 -3.374 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.095 6.063 -5.070 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.352 6.912 -4.191 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.766 8.914 -5.049 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.059 8.643 -4.763 1.00 0.00 H new ATOM 1102 N ALA A 71 -8.617 8.376 -1.716 1.00 0.00 N ATOM 1103 CA ALA A 71 -8.748 9.600 -0.936 1.00 0.00 C ATOM 1104 C ALA A 71 -7.642 9.706 0.109 1.00 0.00 C ATOM 1105 O ALA A 71 -7.258 10.804 0.513 1.00 0.00 O ATOM 1106 CB ALA A 71 -10.114 9.659 -0.270 1.00 0.00 C ATOM 0 H ALA A 71 -9.453 7.792 -1.727 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.652 10.446 -1.616 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.197 10.579 0.309 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.892 9.639 -1.033 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -10.233 8.801 0.392 1.00 0.00 H new ATOM 1112 N LEU A 72 -7.135 8.558 0.544 1.00 0.00 N ATOM 1113 CA LEU A 72 -6.073 8.521 1.544 1.00 0.00 C ATOM 1114 C LEU A 72 -4.700 8.556 0.881 1.00 0.00 C ATOM 1115 O LEU A 72 -3.765 9.166 1.400 1.00 0.00 O ATOM 1116 CB LEU A 72 -6.203 7.265 2.408 1.00 0.00 C ATOM 1117 CG LEU A 72 -5.614 7.355 3.816 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -6.088 6.188 4.668 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -4.094 7.392 3.757 1.00 0.00 C ATOM 0 H LEU A 72 -7.442 7.641 0.220 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.173 9.402 2.178 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.260 7.015 2.494 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.721 6.438 1.886 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.962 8.280 4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.659 6.269 5.667 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.176 6.207 4.738 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.770 5.251 4.211 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.692 7.456 4.768 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.726 6.485 3.277 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.773 8.262 3.183 1.00 0.00 H new ATOM 1131 N ARG A 73 -4.586 7.900 -0.269 1.00 0.00 N ATOM 1132 CA ARG A 73 -3.327 7.858 -1.003 1.00 0.00 C ATOM 1133 C ARG A 73 -2.886 9.262 -1.407 1.00 0.00 C ATOM 1134 O ARG A 73 -1.781 9.694 -1.078 1.00 0.00 O ATOM 1135 CB ARG A 73 -3.467 6.979 -2.247 1.00 0.00 C ATOM 1136 CG ARG A 73 -2.675 5.684 -2.170 1.00 0.00 C ATOM 1137 CD ARG A 73 -1.935 5.406 -3.469 1.00 0.00 C ATOM 1138 NE ARG A 73 -0.521 5.759 -3.380 1.00 0.00 N ATOM 1139 CZ ARG A 73 0.285 5.836 -4.433 1.00 0.00 C ATOM 1140 NH1 ARG A 73 -0.182 5.588 -5.649 1.00 0.00 N ATOM 1141 NH2 ARG A 73 1.561 6.164 -4.271 1.00 0.00 N ATOM 0 H ARG A 73 -5.350 7.390 -0.713 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.567 7.431 -0.348 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.520 6.742 -2.398 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.139 7.544 -3.120 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.961 5.741 -1.348 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.349 4.856 -1.950 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.030 4.350 -3.721 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.399 5.970 -4.278 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.131 5.957 -2.459 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.162 5.337 -5.778 1.00 0.00 H new ATOM 0 HH12 ARG A 73 0.439 5.648 -6.456 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.923 6.357 -3.337 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.179 6.223 -5.080 1.00 0.00 H new ATOM 1155 N ARG A 74 -3.756 9.968 -2.120 1.00 0.00 N ATOM 1156 CA ARG A 74 -3.456 11.322 -2.570 1.00 0.00 C ATOM 1157 C ARG A 74 -3.061 12.210 -1.394 1.00 0.00 C ATOM 1158 O ARG A 74 -2.253 13.127 -1.540 1.00 0.00 O ATOM 1159 CB ARG A 74 -4.663 11.922 -3.293 1.00 0.00 C ATOM 1160 CG ARG A 74 -4.810 11.448 -4.730 1.00 0.00 C ATOM 1161 CD ARG A 74 -6.190 11.765 -5.283 1.00 0.00 C ATOM 1162 NE ARG A 74 -6.215 11.734 -6.742 1.00 0.00 N ATOM 1163 CZ ARG A 74 -5.723 12.703 -7.506 1.00 0.00 C ATOM 1164 NH1 ARG A 74 -5.169 13.772 -6.952 1.00 0.00 N ATOM 1165 NH2 ARG A 74 -5.783 12.603 -8.828 1.00 0.00 N ATOM 0 H ARG A 74 -4.675 9.625 -2.399 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.616 11.270 -3.263 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.569 11.669 -2.742 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.578 13.009 -3.285 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.050 11.923 -5.350 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.635 10.373 -4.779 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.911 11.046 -4.893 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.502 12.750 -4.936 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.633 10.924 -7.200 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.120 13.852 -5.936 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.792 14.514 -7.541 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.207 11.781 -9.259 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.405 13.348 -9.413 1.00 0.00 H new ATOM 1179 N ALA A 75 -3.636 11.932 -0.229 1.00 0.00 N ATOM 1180 CA ALA A 75 -3.343 12.704 0.972 1.00 0.00 C ATOM 1181 C ALA A 75 -1.863 12.623 1.329 1.00 0.00 C ATOM 1182 O ALA A 75 -1.224 13.641 1.598 1.00 0.00 O ATOM 1183 CB ALA A 75 -4.196 12.216 2.134 1.00 0.00 C ATOM 0 H ALA A 75 -4.308 11.177 -0.091 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.585 13.748 0.771 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.967 12.801 3.025 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.251 12.332 1.885 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.982 11.165 2.326 1.00 0.00 H new ATOM 1189 N ILE A 76 -1.325 11.408 1.331 1.00 0.00 N ATOM 1190 CA ILE A 76 0.080 11.196 1.655 1.00 0.00 C ATOM 1191 C ILE A 76 0.988 11.810 0.594 1.00 0.00 C ATOM 1192 O ILE A 76 2.115 12.209 0.884 1.00 0.00 O ATOM 1193 CB ILE A 76 0.407 9.697 1.789 1.00 0.00 C ATOM 1194 CG1 ILE A 76 -0.465 9.058 2.871 1.00 0.00 C ATOM 1195 CG2 ILE A 76 1.882 9.503 2.107 1.00 0.00 C ATOM 1196 CD1 ILE A 76 -0.448 7.545 2.846 1.00 0.00 C ATOM 0 H ILE A 76 -1.841 10.556 1.112 1.00 0.00 H new ATOM 0 HA ILE A 76 0.260 11.686 2.612 1.00 0.00 H new ATOM 0 HB ILE A 76 0.193 9.207 0.839 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.126 9.401 3.849 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.492 9.404 2.750 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.097 8.438 2.199 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.486 9.928 1.305 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.121 10.004 3.045 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.088 7.161 3.640 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.815 7.193 1.882 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.571 7.190 2.998 1.00 0.00 H new ATOM 1208 N GLU A 77 0.487 11.883 -0.635 1.00 0.00 N ATOM 1209 CA GLU A 77 1.253 12.450 -1.739 1.00 0.00 C ATOM 1210 C GLU A 77 1.288 13.973 -1.652 1.00 0.00 C ATOM 1211 O GLU A 77 2.289 14.601 -1.993 1.00 0.00 O ATOM 1212 CB GLU A 77 0.653 12.019 -3.079 1.00 0.00 C ATOM 1213 CG GLU A 77 1.399 10.871 -3.739 1.00 0.00 C ATOM 1214 CD GLU A 77 1.054 10.718 -5.207 1.00 0.00 C ATOM 1215 OE1 GLU A 77 1.330 11.657 -5.983 1.00 0.00 O ATOM 1216 OE2 GLU A 77 0.508 9.659 -5.581 1.00 0.00 O ATOM 0 H GLU A 77 -0.445 11.557 -0.891 1.00 0.00 H new ATOM 0 HA GLU A 77 2.274 12.076 -1.668 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.385 11.726 -2.925 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.646 12.873 -3.756 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.472 11.034 -3.637 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.166 9.943 -3.216 1.00 0.00 H new ATOM 1223 N ASN A 78 0.187 14.559 -1.193 1.00 0.00 N ATOM 1224 CA ASN A 78 0.091 16.008 -1.061 1.00 0.00 C ATOM 1225 C ASN A 78 0.987 16.513 0.066 1.00 0.00 C ATOM 1226 O ASN A 78 1.471 17.645 0.030 1.00 0.00 O ATOM 1227 CB ASN A 78 -1.358 16.422 -0.799 1.00 0.00 C ATOM 1228 CG ASN A 78 -1.791 17.591 -1.663 1.00 0.00 C ATOM 1229 OD1 ASN A 78 -1.179 18.659 -1.634 1.00 0.00 O ATOM 1230 ND2 ASN A 78 -2.851 17.394 -2.438 1.00 0.00 N ATOM 0 H ASN A 78 -0.651 14.053 -0.906 1.00 0.00 H new ATOM 0 HA ASN A 78 0.427 16.456 -1.996 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.015 15.573 -0.986 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.473 16.688 0.252 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -3.188 18.144 -3.041 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -3.328 16.492 -2.430 1.00 0.00 H new ATOM 1237 N HIS A 79 1.205 15.665 1.066 1.00 0.00 N ATOM 1238 CA HIS A 79 2.045 16.024 2.203 1.00 0.00 C ATOM 1239 C HIS A 79 3.518 15.786 1.888 1.00 0.00 C ATOM 1240 O HIS A 79 4.388 16.529 2.341 1.00 0.00 O ATOM 1241 CB HIS A 79 1.639 15.218 3.438 1.00 0.00 C ATOM 1242 CG HIS A 79 2.480 15.506 4.644 1.00 0.00 C ATOM 1243 ND1 HIS A 79 2.293 16.613 5.445 1.00 0.00 N ATOM 1244 CD2 HIS A 79 3.515 14.822 5.185 1.00 0.00 C ATOM 1245 CE1 HIS A 79 3.178 16.599 6.425 1.00 0.00 C ATOM 1246 NE2 HIS A 79 3.932 15.522 6.291 1.00 0.00 N ATOM 0 H HIS A 79 0.812 14.725 1.112 1.00 0.00 H new ATOM 0 HA HIS A 79 1.903 17.085 2.407 1.00 0.00 H new ATOM 0 HB2 HIS A 79 0.596 15.430 3.673 1.00 0.00 H new ATOM 0 HB3 HIS A 79 1.704 14.155 3.205 1.00 0.00 H new ATOM 0 HD2 HIS A 79 3.935 13.898 4.816 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.270 17.342 7.204 1.00 0.00 H new ATOM 0 HE2 HIS A 79 4.699 15.254 6.908 1.00 0.00 H new ATOM 1254 N ASN A 80 3.791 14.744 1.109 1.00 0.00 N ATOM 1255 CA ASN A 80 5.160 14.408 0.734 1.00 0.00 C ATOM 1256 C ASN A 80 5.666 15.336 -0.366 1.00 0.00 C ATOM 1257 O ASN A 80 6.829 15.741 -0.366 1.00 0.00 O ATOM 1258 CB ASN A 80 5.240 12.953 0.266 1.00 0.00 C ATOM 1259 CG ASN A 80 5.125 11.970 1.415 1.00 0.00 C ATOM 1260 OD1 ASN A 80 4.945 12.362 2.568 1.00 0.00 O ATOM 1261 ND2 ASN A 80 5.228 10.683 1.104 1.00 0.00 N ATOM 0 H ASN A 80 3.083 14.118 0.725 1.00 0.00 H new ATOM 0 HA ASN A 80 5.793 14.536 1.612 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.444 12.761 -0.454 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.185 12.792 -0.253 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.158 9.975 1.835 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.377 10.403 0.135 1.00 0.00 H new ATOM 1268 N LYS A 81 4.785 15.669 -1.303 1.00 0.00 N ATOM 1269 CA LYS A 81 5.141 16.551 -2.409 1.00 0.00 C ATOM 1270 C LYS A 81 5.443 17.959 -1.907 1.00 0.00 C ATOM 1271 O LYS A 81 6.216 18.696 -2.519 1.00 0.00 O ATOM 1272 CB LYS A 81 4.007 16.596 -3.436 1.00 0.00 C ATOM 1273 CG LYS A 81 2.781 17.354 -2.956 1.00 0.00 C ATOM 1274 CD LYS A 81 2.793 18.795 -3.436 1.00 0.00 C ATOM 1275 CE LYS A 81 1.629 19.080 -4.373 1.00 0.00 C ATOM 1276 NZ LYS A 81 1.939 18.693 -5.777 1.00 0.00 N ATOM 0 H LYS A 81 3.819 15.342 -1.319 1.00 0.00 H new ATOM 0 HA LYS A 81 6.038 16.154 -2.884 1.00 0.00 H new ATOM 0 HB2 LYS A 81 4.375 17.060 -4.351 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.717 15.576 -3.690 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.881 16.857 -3.317 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.742 17.333 -1.867 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.744 19.466 -2.578 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.733 19.001 -3.948 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.748 18.536 -4.033 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.384 20.141 -4.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.121 18.903 -6.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.765 19.230 -6.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.148 17.675 -5.818 1.00 0.00 H new ATOM 1290 N LYS A 82 4.829 18.327 -0.787 1.00 0.00 N ATOM 1291 CA LYS A 82 5.034 19.646 -0.200 1.00 0.00 C ATOM 1292 C LYS A 82 6.511 19.889 0.091 1.00 0.00 C ATOM 1293 O LYS A 82 7.014 20.999 -0.086 1.00 0.00 O ATOM 1294 CB LYS A 82 4.220 19.785 1.089 1.00 0.00 C ATOM 1295 CG LYS A 82 4.293 21.170 1.708 1.00 0.00 C ATOM 1296 CD LYS A 82 2.928 21.839 1.740 1.00 0.00 C ATOM 1297 CE LYS A 82 2.206 21.568 3.051 1.00 0.00 C ATOM 1298 NZ LYS A 82 1.310 22.694 3.434 1.00 0.00 N ATOM 0 H LYS A 82 4.185 17.730 -0.268 1.00 0.00 H new ATOM 0 HA LYS A 82 4.696 20.392 -0.919 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.178 19.545 0.878 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.576 19.053 1.814 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.687 21.096 2.722 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.989 21.787 1.140 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.045 22.914 1.603 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.324 21.476 0.909 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.621 20.653 2.961 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.938 21.402 3.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.836 22.471 4.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.872 23.562 3.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.595 22.837 2.692 1.00 0.00 H new ATOM 1312 N ARG A 83 7.202 18.844 0.535 1.00 0.00 N ATOM 1313 CA ARG A 83 8.622 18.944 0.850 1.00 0.00 C ATOM 1314 C ARG A 83 9.458 18.999 -0.425 1.00 0.00 C ATOM 1315 O ARG A 83 10.481 19.682 -0.480 1.00 0.00 O ATOM 1316 CB ARG A 83 9.060 17.758 1.710 1.00 0.00 C ATOM 1317 CG ARG A 83 9.861 18.159 2.938 1.00 0.00 C ATOM 1318 CD ARG A 83 10.228 16.949 3.783 1.00 0.00 C ATOM 1319 NE ARG A 83 9.053 16.327 4.388 1.00 0.00 N ATOM 1320 CZ ARG A 83 9.054 15.105 4.907 1.00 0.00 C ATOM 1321 NH1 ARG A 83 10.162 14.377 4.896 1.00 0.00 N ATOM 1322 NH2 ARG A 83 7.945 14.608 5.440 1.00 0.00 N ATOM 0 H ARG A 83 6.801 17.918 0.685 1.00 0.00 H new ATOM 0 HA ARG A 83 8.781 19.866 1.408 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.176 17.205 2.028 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.659 17.080 1.101 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.769 18.677 2.628 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.282 18.861 3.538 1.00 0.00 H new ATOM 0 HD2 ARG A 83 10.746 16.218 3.163 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.922 17.251 4.567 1.00 0.00 H new ATOM 0 HE ARG A 83 8.184 16.861 4.413 1.00 0.00 H new ATOM 0 HH11 ARG A 83 11.017 14.755 4.488 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.160 13.439 5.296 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.091 15.165 5.451 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.947 13.669 5.838 1.00 0.00 H new ATOM 1336 N HIS A 84 9.016 18.274 -1.448 1.00 0.00 N ATOM 1337 CA HIS A 84 9.724 18.240 -2.723 1.00 0.00 C ATOM 1338 C HIS A 84 9.948 19.651 -3.258 1.00 0.00 C ATOM 1339 O HIS A 84 8.994 20.389 -3.507 1.00 0.00 O ATOM 1340 CB HIS A 84 8.941 17.413 -3.743 1.00 0.00 C ATOM 1341 CG HIS A 84 9.566 17.394 -5.105 1.00 0.00 C ATOM 1342 ND1 HIS A 84 10.700 16.668 -5.401 1.00 0.00 N ATOM 1343 CD2 HIS A 84 9.207 18.014 -6.253 1.00 0.00 C ATOM 1344 CE1 HIS A 84 11.013 16.845 -6.673 1.00 0.00 C ATOM 1345 NE2 HIS A 84 10.122 17.658 -7.212 1.00 0.00 N ATOM 0 H HIS A 84 8.172 17.703 -1.419 1.00 0.00 H new ATOM 0 HA HIS A 84 10.696 17.775 -2.559 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.853 16.390 -3.378 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.929 17.811 -3.822 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.358 18.668 -6.389 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.854 16.401 -7.185 1.00 0.00 H new ATOM 0 HE2 HIS A 84 10.115 17.970 -8.183 1.00 0.00 H new ATOM 1353 N ARG A 85 11.213 20.019 -3.432 1.00 0.00 N ATOM 1354 CA ARG A 85 11.561 21.343 -3.936 1.00 0.00 C ATOM 1355 C ARG A 85 10.963 21.572 -5.321 1.00 0.00 C ATOM 1356 O ARG A 85 10.844 20.641 -6.119 1.00 0.00 O ATOM 1357 CB ARG A 85 13.081 21.507 -3.991 1.00 0.00 C ATOM 1358 CG ARG A 85 13.616 22.557 -3.031 1.00 0.00 C ATOM 1359 CD ARG A 85 13.781 23.905 -3.715 1.00 0.00 C ATOM 1360 NE ARG A 85 14.518 24.853 -2.884 1.00 0.00 N ATOM 1361 CZ ARG A 85 14.927 26.042 -3.313 1.00 0.00 C ATOM 1362 NH1 ARG A 85 14.671 26.427 -4.556 1.00 0.00 N ATOM 1363 NH2 ARG A 85 15.592 26.850 -2.497 1.00 0.00 N ATOM 0 H ARG A 85 12.014 19.420 -3.232 1.00 0.00 H new ATOM 0 HA ARG A 85 11.147 22.085 -3.253 1.00 0.00 H new ATOM 0 HB2 ARG A 85 13.550 20.549 -3.766 1.00 0.00 H new ATOM 0 HB3 ARG A 85 13.373 21.774 -5.007 1.00 0.00 H new ATOM 0 HG2 ARG A 85 12.936 22.658 -2.185 1.00 0.00 H new ATOM 0 HG3 ARG A 85 14.576 22.231 -2.631 1.00 0.00 H new ATOM 0 HD2 ARG A 85 14.304 23.770 -4.662 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.799 24.315 -3.949 1.00 0.00 H new ATOM 0 HE ARG A 85 14.730 24.588 -1.922 1.00 0.00 H new ATOM 0 HH11 ARG A 85 14.159 25.810 -5.186 1.00 0.00 H new ATOM 0 HH12 ARG A 85 14.986 27.341 -4.882 1.00 0.00 H new ATOM 0 HH21 ARG A 85 15.789 26.558 -1.540 1.00 0.00 H new ATOM 0 HH22 ARG A 85 15.906 27.763 -2.827 1.00 0.00 H new ATOM 1377 N HIS A 86 10.589 22.816 -5.600 1.00 0.00 N ATOM 1378 CA HIS A 86 10.004 23.168 -6.889 1.00 0.00 C ATOM 1379 C HIS A 86 8.692 22.421 -7.112 1.00 0.00 C ATOM 1380 O HIS A 86 8.360 21.495 -6.371 1.00 0.00 O ATOM 1381 CB HIS A 86 10.983 22.853 -8.020 1.00 0.00 C ATOM 1382 CG HIS A 86 11.710 24.057 -8.535 1.00 0.00 C ATOM 1383 ND1 HIS A 86 11.163 24.933 -9.449 1.00 0.00 N ATOM 1384 CD2 HIS A 86 12.948 24.529 -8.258 1.00 0.00 C ATOM 1385 CE1 HIS A 86 12.033 25.891 -9.713 1.00 0.00 C ATOM 1386 NE2 HIS A 86 13.125 25.669 -9.003 1.00 0.00 N ATOM 0 H HIS A 86 10.680 23.598 -4.951 1.00 0.00 H new ATOM 0 HA HIS A 86 9.796 24.238 -6.886 1.00 0.00 H new ATOM 0 HB2 HIS A 86 11.711 22.123 -7.667 1.00 0.00 H new ATOM 0 HB3 HIS A 86 10.439 22.388 -8.842 1.00 0.00 H new ATOM 0 HD2 HIS A 86 13.663 24.091 -7.578 1.00 0.00 H new ATOM 0 HE1 HIS A 86 11.878 26.715 -10.393 1.00 0.00 H new ATOM 0 HE2 HIS A 86 13.963 26.250 -9.008 1.00 0.00 H new ATOM 1394 N SER A 87 7.951 22.829 -8.137 1.00 0.00 N ATOM 1395 CA SER A 87 6.674 22.202 -8.454 1.00 0.00 C ATOM 1396 C SER A 87 6.471 22.116 -9.964 1.00 0.00 C ATOM 1397 O SER A 87 6.426 23.134 -10.653 1.00 0.00 O ATOM 1398 CB SER A 87 5.524 22.985 -7.818 1.00 0.00 C ATOM 1399 OG SER A 87 4.275 22.581 -8.351 1.00 0.00 O ATOM 0 H SER A 87 8.213 23.591 -8.762 1.00 0.00 H new ATOM 0 HA SER A 87 6.684 21.191 -8.047 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.529 22.832 -6.739 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.668 24.052 -7.989 1.00 0.00 H new ATOM 0 HG SER A 87 3.557 23.095 -7.927 1.00 0.00 H new ATOM 1405 N GLU A 88 6.350 20.893 -10.470 1.00 0.00 N ATOM 1406 CA GLU A 88 6.153 20.673 -11.898 1.00 0.00 C ATOM 1407 C GLU A 88 4.830 21.275 -12.363 1.00 0.00 C ATOM 1408 O GLU A 88 3.963 21.598 -11.552 1.00 0.00 O ATOM 1409 CB GLU A 88 6.186 19.177 -12.216 1.00 0.00 C ATOM 1410 CG GLU A 88 7.590 18.613 -12.346 1.00 0.00 C ATOM 1411 CD GLU A 88 8.366 19.235 -13.491 1.00 0.00 C ATOM 1412 OE1 GLU A 88 7.968 19.032 -14.657 1.00 0.00 O ATOM 1413 OE2 GLU A 88 9.371 19.925 -13.221 1.00 0.00 O ATOM 0 H GLU A 88 6.385 20.040 -9.913 1.00 0.00 H new ATOM 0 HA GLU A 88 6.965 21.167 -12.431 1.00 0.00 H new ATOM 0 HB2 GLU A 88 5.657 18.636 -11.431 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.645 19.000 -13.145 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.131 18.777 -11.414 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.532 17.535 -12.495 1.00 0.00 H new ATOM 1420 N SER A 89 4.684 21.423 -13.676 1.00 0.00 N ATOM 1421 CA SER A 89 3.469 21.990 -14.251 1.00 0.00 C ATOM 1422 C SER A 89 2.642 20.912 -14.945 1.00 0.00 C ATOM 1423 O SER A 89 3.186 19.961 -15.506 1.00 0.00 O ATOM 1424 CB SER A 89 3.819 23.099 -15.244 1.00 0.00 C ATOM 1425 OG SER A 89 3.504 24.376 -14.715 1.00 0.00 O ATOM 0 H SER A 89 5.391 21.158 -14.362 1.00 0.00 H new ATOM 0 HA SER A 89 2.876 22.413 -13.440 1.00 0.00 H new ATOM 0 HB2 SER A 89 4.881 23.054 -15.485 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.274 22.943 -16.175 1.00 0.00 H new ATOM 0 HG SER A 89 3.739 25.068 -15.368 1.00 0.00 H new ATOM 1431 N GLY A 90 1.322 21.068 -14.903 1.00 0.00 N ATOM 1432 CA GLY A 90 0.441 20.101 -15.531 1.00 0.00 C ATOM 1433 C GLY A 90 -0.627 20.758 -16.383 1.00 0.00 C ATOM 1434 O GLY A 90 -0.612 21.968 -16.611 1.00 0.00 O ATOM 0 H GLY A 90 0.848 21.846 -14.445 1.00 0.00 H new ATOM 0 HA2 GLY A 90 1.031 19.425 -16.150 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -0.035 19.494 -14.761 1.00 0.00 H new ATOM 1438 N PRO A 91 -1.579 19.951 -16.872 1.00 0.00 N ATOM 1439 CA PRO A 91 -2.676 20.439 -17.714 1.00 0.00 C ATOM 1440 C PRO A 91 -3.667 21.297 -16.934 1.00 0.00 C ATOM 1441 O PRO A 91 -4.220 22.260 -17.465 1.00 0.00 O ATOM 1442 CB PRO A 91 -3.349 19.153 -18.200 1.00 0.00 C ATOM 1443 CG PRO A 91 -3.024 18.138 -17.159 1.00 0.00 C ATOM 1444 CD PRO A 91 -1.659 18.498 -16.641 1.00 0.00 C ATOM 0 HA PRO A 91 -2.318 21.080 -18.520 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.426 19.284 -18.302 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.970 18.853 -19.177 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.762 18.152 -16.357 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.029 17.132 -17.580 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -1.553 18.253 -15.584 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -0.873 17.962 -17.173 1.00 0.00 H new ATOM 1452 N SER A 92 -3.885 20.942 -15.672 1.00 0.00 N ATOM 1453 CA SER A 92 -4.812 21.678 -14.820 1.00 0.00 C ATOM 1454 C SER A 92 -4.567 21.360 -13.348 1.00 0.00 C ATOM 1455 O SER A 92 -4.935 20.290 -12.864 1.00 0.00 O ATOM 1456 CB SER A 92 -6.257 21.342 -15.193 1.00 0.00 C ATOM 1457 OG SER A 92 -6.986 22.513 -15.516 1.00 0.00 O ATOM 0 H SER A 92 -3.432 20.149 -15.217 1.00 0.00 H new ATOM 0 HA SER A 92 -4.642 22.743 -14.976 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.267 20.658 -16.042 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.740 20.827 -14.363 1.00 0.00 H new ATOM 0 HG SER A 92 -7.906 22.271 -15.752 1.00 0.00 H new ATOM 1463 N SER A 93 -3.942 22.297 -12.643 1.00 0.00 N ATOM 1464 CA SER A 93 -3.644 22.116 -11.227 1.00 0.00 C ATOM 1465 C SER A 93 -4.751 22.706 -10.359 1.00 0.00 C ATOM 1466 O SER A 93 -5.537 23.536 -10.814 1.00 0.00 O ATOM 1467 CB SER A 93 -2.305 22.769 -10.879 1.00 0.00 C ATOM 1468 OG SER A 93 -1.726 22.166 -9.734 1.00 0.00 O ATOM 0 H SER A 93 -3.632 23.189 -13.029 1.00 0.00 H new ATOM 0 HA SER A 93 -3.581 21.046 -11.028 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.623 22.681 -11.725 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.452 23.834 -10.698 1.00 0.00 H new ATOM 0 HG SER A 93 -0.870 22.600 -9.533 1.00 0.00 H new ATOM 1474 N GLY A 94 -4.806 22.271 -9.103 1.00 0.00 N ATOM 1475 CA GLY A 94 -5.820 22.765 -8.190 1.00 0.00 C ATOM 1476 C GLY A 94 -5.860 21.986 -6.891 1.00 0.00 C ATOM 1477 O GLY A 94 -6.572 20.986 -6.814 1.00 0.00 O ATOM 0 H GLY A 94 -4.166 21.585 -8.702 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.629 23.816 -7.974 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.796 22.711 -8.672 1.00 0.00 H new TER 1481 GLY A 94 HETATM 1482 ZN ZN A 201 -11.010 -1.870 13.117 1.00 0.00 ZN