USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 772 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 Set 1.1: A 97 CYS SG : rot 31:sc= 0.341 USER MOD Set 1.2: A 100 CYS SG : rot -59:sc= -4.53! USER MOD Set 1.3: A 113 HIS :FLIP no HD1:sc= -3.46 F(o=-11!,f=-9.9) USER MOD Set 1.4: A 114 MET CE :methyl -108:sc= -0.851 (180deg=-0.351) USER MOD Set 1.5: A 118 HIS :FLIP no HD1:sc= -1.43 F(o=-11!,f=-9.9) USER MOD Set 2.1: A 69 CYS SG : rot -138:sc= -4.08! USER MOD Set 2.2: A 72 CYS SG : rot 180:sc= -1.7! USER MOD Set 2.3: A 85 HIS : no HD1:sc= -1.47 K(o=-21,f=-23) USER MOD Set 2.4: A 86 MET CE :methyl 164:sc= -6.7! (180deg=-2.72!) USER MOD Set 2.5: A 89 HIS : no HD1:sc= -6.62! C(o=-21!,f=-25!) USER MOD Set 3.1: A 38 CYS SG : rot 131:sc= -0.889 USER MOD Set 3.2: A 41 CYS SG : rot -66:sc= -1.45 USER MOD Set 3.3: A 45 TYR OH : rot 70:sc=-0.00433 USER MOD Set 3.4: A 54 HIS :FLIP no HD1:sc= -2.28 F(o=-7.6!,f=-4.6) USER MOD Set 4.1: A 10 CYS SG : rot 164:sc= -0.0114 USER MOD Set 4.2: A 12 THR OG1 : rot 91:sc= 0.302 USER MOD Set 4.3: A 13 CYS SG : rot -40:sc= -1.78 USER MOD Set 4.4: A 26 HIS : no HE2:sc= -2.47 K(o=-4,f=-5.2) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -67:sc= 0.0297 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -3.16! C(o=-3.2!,f=-6.8!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -138:sc= 0.0332 (180deg=0) USER MOD Single : A 44 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 58 ASN : amide:sc= -1.63! C(o=-1.6!,f=-2.9!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -32:sc= 0.449 USER MOD Single : A 73 GLN :FLIP amide:sc= -0.327 F(o=-1.5,f=-0.33) USER MOD Single : A 75 THR OG1 : rot 40:sc= 0.0495 USER MOD Single : A 80 MET CE :methyl -131:sc= -3.72! (180deg=-10.1!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot -42:sc= 0.872 USER MOD Single : A 95 TYR OH : rot 180:sc= -0.572 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 103 GLN : amide:sc= -0.082 X(o=-0.082,f=0) USER MOD Single : A 105 MET CE :methyl 180:sc= -1.03 (180deg=-1.03) USER MOD Single : A 106 GLN : amide:sc= -0.035 K(o=-0.035,f=-0.91) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -130:sc= -0.936 (180deg=-3.13!) USER MOD Single : A 111 GLN : amide:sc=-0.00102 X(o=-0.001,f=-0.071) USER MOD Single : A 112 SER OG : rot 180:sc= -0.948 USER MOD Single : A 116 LYS NZ :NH3+ 162:sc= -0.0253 (180deg=-0.254) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 2.452 11.230 9.176 1.00 0.00 N ATOM 60 CA GLY A 7 2.722 9.856 9.556 1.00 0.00 C ATOM 61 C GLY A 7 1.988 8.858 8.683 1.00 0.00 C ATOM 62 O GLY A 7 1.484 9.208 7.615 1.00 0.00 O ATOM 0 HA2 GLY A 7 3.794 9.669 9.494 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.432 9.706 10.596 1.00 0.00 H new ATOM 66 N VAL A 8 1.927 7.610 9.135 1.00 0.00 N ATOM 67 CA VAL A 8 1.249 6.557 8.388 1.00 0.00 C ATOM 68 C VAL A 8 -0.152 6.310 8.935 1.00 0.00 C ATOM 69 O VAL A 8 -0.506 6.801 10.006 1.00 0.00 O ATOM 70 CB VAL A 8 2.044 5.239 8.428 1.00 0.00 C ATOM 71 CG1 VAL A 8 3.388 5.405 7.735 1.00 0.00 C ATOM 72 CG2 VAL A 8 2.229 4.772 9.864 1.00 0.00 C ATOM 0 H VAL A 8 2.339 7.303 10.016 1.00 0.00 H new ATOM 0 HA VAL A 8 1.178 6.898 7.355 1.00 0.00 H new ATOM 0 HB VAL A 8 1.478 4.477 7.893 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.936 4.463 7.773 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.228 5.690 6.695 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.964 6.181 8.239 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.793 3.839 9.873 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.773 5.531 10.426 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.253 4.611 10.323 1.00 0.00 H new ATOM 82 N GLU A 9 -0.945 5.544 8.192 1.00 0.00 N ATOM 83 CA GLU A 9 -2.309 5.231 8.604 1.00 0.00 C ATOM 84 C GLU A 9 -2.628 3.760 8.356 1.00 0.00 C ATOM 85 O GLU A 9 -2.152 3.164 7.389 1.00 0.00 O ATOM 86 CB GLU A 9 -3.307 6.115 7.854 1.00 0.00 C ATOM 87 CG GLU A 9 -4.759 5.805 8.178 1.00 0.00 C ATOM 88 CD GLU A 9 -5.676 6.988 7.936 1.00 0.00 C ATOM 89 OE1 GLU A 9 -5.350 7.822 7.066 1.00 0.00 O ATOM 90 OE2 GLU A 9 -6.719 7.079 8.616 1.00 0.00 O ATOM 0 H GLU A 9 -0.667 5.129 7.303 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.393 5.427 9.673 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.105 7.159 8.093 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.150 5.997 6.782 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.091 4.963 7.571 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.837 5.497 9.221 1.00 0.00 H new ATOM 97 N CYS A 10 -3.438 3.180 9.236 1.00 0.00 N ATOM 98 CA CYS A 10 -3.821 1.778 9.114 1.00 0.00 C ATOM 99 C CYS A 10 -5.146 1.640 8.370 1.00 0.00 C ATOM 100 O CYS A 10 -6.194 2.100 8.826 1.00 0.00 O ATOM 101 CB CYS A 10 -3.931 1.136 10.498 1.00 0.00 C ATOM 102 SG CYS A 10 -4.554 -0.576 10.477 1.00 0.00 S ATOM 0 H CYS A 10 -3.842 3.659 10.041 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.048 1.264 8.543 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.949 1.148 10.971 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -4.591 1.744 11.117 1.00 0.00 H new ATOM 0 HG CYS A 10 -4.293 -1.147 11.615 1.00 0.00 H new ATOM 107 N PRO A 11 -5.101 0.990 7.198 1.00 0.00 N ATOM 108 CA PRO A 11 -6.289 0.775 6.366 1.00 0.00 C ATOM 109 C PRO A 11 -7.262 -0.219 6.991 1.00 0.00 C ATOM 110 O PRO A 11 -8.232 -0.637 6.358 1.00 0.00 O ATOM 111 CB PRO A 11 -5.713 0.213 5.064 1.00 0.00 C ATOM 112 CG PRO A 11 -4.423 -0.417 5.461 1.00 0.00 C ATOM 113 CD PRO A 11 -3.888 0.415 6.594 1.00 0.00 C ATOM 0 HA PRO A 11 -6.865 1.691 6.233 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.388 -0.516 4.615 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.558 1.001 4.327 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.573 -1.451 5.773 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.724 -0.434 4.625 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.331 -0.191 7.309 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.210 1.191 6.238 1.00 0.00 H new ATOM 121 N THR A 12 -6.997 -0.596 8.238 1.00 0.00 N ATOM 122 CA THR A 12 -7.849 -1.541 8.949 1.00 0.00 C ATOM 123 C THR A 12 -8.720 -0.830 9.978 1.00 0.00 C ATOM 124 O THR A 12 -9.946 -0.951 9.958 1.00 0.00 O ATOM 125 CB THR A 12 -7.015 -2.624 9.659 1.00 0.00 C ATOM 126 OG1 THR A 12 -5.946 -3.055 8.810 1.00 0.00 O ATOM 127 CG2 THR A 12 -7.883 -3.816 10.035 1.00 0.00 C ATOM 0 H THR A 12 -6.198 -0.261 8.777 1.00 0.00 H new ATOM 0 HA THR A 12 -8.487 -2.015 8.203 1.00 0.00 H new ATOM 0 HB THR A 12 -6.602 -2.193 10.571 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.149 -2.512 8.986 1.00 0.00 H new ATOM 0 HG21 THR A 12 -7.272 -4.568 10.535 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.678 -3.490 10.705 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.321 -4.245 9.134 1.00 0.00 H new ATOM 135 N CYS A 13 -8.082 -0.088 10.876 1.00 0.00 N ATOM 136 CA CYS A 13 -8.798 0.643 11.913 1.00 0.00 C ATOM 137 C CYS A 13 -8.553 2.144 11.790 1.00 0.00 C ATOM 138 O CYS A 13 -8.828 2.908 12.716 1.00 0.00 O ATOM 139 CB CYS A 13 -8.368 0.158 13.299 1.00 0.00 C ATOM 140 SG CYS A 13 -6.583 0.322 13.623 1.00 0.00 S ATOM 0 H CYS A 13 -7.068 0.023 10.906 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.864 0.455 11.783 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -8.917 0.719 14.055 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -8.652 -0.888 13.410 1.00 0.00 H new ATOM 0 HG CYS A 13 -5.916 -0.007 12.557 1.00 0.00 H new ATOM 145 N HIS A 14 -8.033 2.561 10.639 1.00 0.00 N ATOM 146 CA HIS A 14 -7.751 3.970 10.393 1.00 0.00 C ATOM 147 C HIS A 14 -6.947 4.572 11.542 1.00 0.00 C ATOM 148 O HIS A 14 -7.123 5.739 11.892 1.00 0.00 O ATOM 149 CB HIS A 14 -9.054 4.748 10.204 1.00 0.00 C ATOM 150 CG HIS A 14 -9.865 4.283 9.034 1.00 0.00 C ATOM 151 ND1 HIS A 14 -9.405 4.326 7.735 1.00 0.00 N ATOM 152 CD2 HIS A 14 -11.112 3.760 8.973 1.00 0.00 C ATOM 153 CE1 HIS A 14 -10.335 3.853 6.925 1.00 0.00 C ATOM 154 NE2 HIS A 14 -11.381 3.501 7.652 1.00 0.00 N ATOM 0 H HIS A 14 -7.799 1.942 9.863 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.158 4.042 9.481 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.654 4.660 11.110 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.821 5.805 10.077 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -11.773 3.580 9.808 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -10.254 3.768 5.851 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -12.247 3.102 7.290 1.00 0.00 H new ATOM 162 N LYS A 15 -6.066 3.767 12.126 1.00 0.00 N ATOM 163 CA LYS A 15 -5.235 4.219 13.236 1.00 0.00 C ATOM 164 C LYS A 15 -3.870 4.686 12.738 1.00 0.00 C ATOM 165 O LYS A 15 -3.062 3.885 12.267 1.00 0.00 O ATOM 166 CB LYS A 15 -5.059 3.095 14.259 1.00 0.00 C ATOM 167 CG LYS A 15 -4.380 3.541 15.542 1.00 0.00 C ATOM 168 CD LYS A 15 -4.134 2.371 16.479 1.00 0.00 C ATOM 169 CE LYS A 15 -3.299 2.785 17.681 1.00 0.00 C ATOM 170 NZ LYS A 15 -4.145 3.301 18.793 1.00 0.00 N ATOM 0 H LYS A 15 -5.909 2.798 11.849 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.736 5.061 13.713 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.037 2.679 14.501 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.474 2.293 13.808 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.432 4.023 15.304 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.999 4.285 16.043 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.088 1.969 16.819 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.626 1.572 15.939 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.719 1.931 18.032 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.586 3.553 17.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.539 3.572 19.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.679 4.131 18.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.808 2.560 19.097 1.00 0.00 H new ATOM 184 N LYS A 16 -3.619 5.986 12.847 1.00 0.00 N ATOM 185 CA LYS A 16 -2.352 6.560 12.411 1.00 0.00 C ATOM 186 C LYS A 16 -1.284 6.402 13.489 1.00 0.00 C ATOM 187 O LYS A 16 -1.596 6.277 14.673 1.00 0.00 O ATOM 188 CB LYS A 16 -2.530 8.041 12.068 1.00 0.00 C ATOM 189 CG LYS A 16 -3.381 8.281 10.833 1.00 0.00 C ATOM 190 CD LYS A 16 -3.009 9.584 10.145 1.00 0.00 C ATOM 191 CE LYS A 16 -4.202 10.193 9.424 1.00 0.00 C ATOM 192 NZ LYS A 16 -4.117 11.679 9.370 1.00 0.00 N ATOM 0 H LYS A 16 -4.277 6.662 13.234 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.026 6.024 11.520 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.986 8.550 12.917 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.549 8.491 11.916 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.255 7.452 10.137 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.434 8.304 11.114 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.629 10.291 10.883 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.205 9.404 9.432 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.256 9.795 8.411 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.121 9.900 9.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.948 12.056 8.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.091 12.061 10.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.253 11.959 8.864 1.00 0.00 H new ATOM 206 N PHE A 17 -0.022 6.410 13.071 1.00 0.00 N ATOM 207 CA PHE A 17 1.092 6.268 14.001 1.00 0.00 C ATOM 208 C PHE A 17 2.174 7.306 13.716 1.00 0.00 C ATOM 209 O PHE A 17 2.110 8.028 12.720 1.00 0.00 O ATOM 210 CB PHE A 17 1.684 4.860 13.909 1.00 0.00 C ATOM 211 CG PHE A 17 0.713 3.776 14.283 1.00 0.00 C ATOM 212 CD1 PHE A 17 -0.306 3.412 13.418 1.00 0.00 C ATOM 213 CD2 PHE A 17 0.819 3.122 15.500 1.00 0.00 C ATOM 214 CE1 PHE A 17 -1.201 2.415 13.759 1.00 0.00 C ATOM 215 CE2 PHE A 17 -0.072 2.124 15.846 1.00 0.00 C ATOM 216 CZ PHE A 17 -1.084 1.771 14.975 1.00 0.00 C ATOM 0 H PHE A 17 0.254 6.513 12.095 1.00 0.00 H new ATOM 0 HA PHE A 17 0.714 6.431 15.010 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.035 4.688 12.891 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.555 4.797 14.561 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.402 3.913 12.466 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.607 3.395 16.186 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.991 2.140 13.075 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.023 1.620 16.797 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.783 0.993 15.244 1.00 0.00 H new ATOM 226 N LEU A 18 3.165 7.375 14.597 1.00 0.00 N ATOM 227 CA LEU A 18 4.262 8.324 14.442 1.00 0.00 C ATOM 228 C LEU A 18 5.297 7.804 13.450 1.00 0.00 C ATOM 229 O LEU A 18 5.839 8.563 12.647 1.00 0.00 O ATOM 230 CB LEU A 18 4.925 8.593 15.794 1.00 0.00 C ATOM 231 CG LEU A 18 5.419 7.363 16.556 1.00 0.00 C ATOM 232 CD1 LEU A 18 6.657 7.701 17.371 1.00 0.00 C ATOM 233 CD2 LEU A 18 4.320 6.815 17.455 1.00 0.00 C ATOM 0 H LEU A 18 3.232 6.785 15.426 1.00 0.00 H new ATOM 0 HA LEU A 18 3.851 9.256 14.054 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.771 9.261 15.634 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.214 9.125 16.425 1.00 0.00 H new ATOM 0 HG LEU A 18 5.685 6.594 15.831 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.994 6.813 17.906 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.448 8.045 16.705 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.418 8.487 18.087 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.690 5.940 17.989 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.022 7.579 18.173 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.460 6.533 16.848 1.00 0.00 H new ATOM 245 N SER A 19 5.565 6.503 13.510 1.00 0.00 N ATOM 246 CA SER A 19 6.536 5.881 12.618 1.00 0.00 C ATOM 247 C SER A 19 5.999 4.565 12.063 1.00 0.00 C ATOM 248 O SER A 19 5.081 3.968 12.626 1.00 0.00 O ATOM 249 CB SER A 19 7.854 5.636 13.355 1.00 0.00 C ATOM 250 OG SER A 19 7.695 4.662 14.373 1.00 0.00 O ATOM 0 H SER A 19 5.123 5.860 14.167 1.00 0.00 H new ATOM 0 HA SER A 19 6.715 6.561 11.785 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.614 5.306 12.647 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.209 6.569 13.792 1.00 0.00 H new ATOM 0 HG SER A 19 7.109 5.015 15.075 1.00 0.00 H new ATOM 256 N LYS A 20 6.577 4.119 10.953 1.00 0.00 N ATOM 257 CA LYS A 20 6.159 2.874 10.319 1.00 0.00 C ATOM 258 C LYS A 20 6.272 1.704 11.292 1.00 0.00 C ATOM 259 O LYS A 20 5.291 1.008 11.557 1.00 0.00 O ATOM 260 CB LYS A 20 7.007 2.601 9.075 1.00 0.00 C ATOM 261 CG LYS A 20 6.480 3.273 7.820 1.00 0.00 C ATOM 262 CD LYS A 20 6.718 4.774 7.849 1.00 0.00 C ATOM 263 CE LYS A 20 8.177 5.112 7.581 1.00 0.00 C ATOM 264 NZ LYS A 20 8.465 6.553 7.821 1.00 0.00 N ATOM 0 H LYS A 20 7.337 4.602 10.473 1.00 0.00 H new ATOM 0 HA LYS A 20 5.115 2.978 10.023 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.026 2.941 9.259 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.056 1.525 8.908 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.967 2.843 6.944 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.413 3.075 7.721 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.088 5.258 7.102 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.424 5.172 8.820 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.815 4.503 8.221 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.425 4.859 6.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.469 6.743 7.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.875 7.134 7.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.252 6.789 8.811 1.00 0.00 H new ATOM 278 N TYR A 21 7.472 1.494 11.820 1.00 0.00 N ATOM 279 CA TYR A 21 7.712 0.408 12.763 1.00 0.00 C ATOM 280 C TYR A 21 6.474 0.140 13.613 1.00 0.00 C ATOM 281 O TYR A 21 5.896 -0.945 13.563 1.00 0.00 O ATOM 282 CB TYR A 21 8.902 0.742 13.665 1.00 0.00 C ATOM 283 CG TYR A 21 9.097 -0.241 14.797 1.00 0.00 C ATOM 284 CD1 TYR A 21 8.399 -0.104 15.991 1.00 0.00 C ATOM 285 CD2 TYR A 21 9.981 -1.306 14.674 1.00 0.00 C ATOM 286 CE1 TYR A 21 8.575 -0.999 17.028 1.00 0.00 C ATOM 287 CE2 TYR A 21 10.162 -2.207 15.706 1.00 0.00 C ATOM 288 CZ TYR A 21 9.457 -2.049 16.881 1.00 0.00 C ATOM 289 OH TYR A 21 9.636 -2.943 17.911 1.00 0.00 O ATOM 0 H TYR A 21 8.294 2.061 11.611 1.00 0.00 H new ATOM 0 HA TYR A 21 7.939 -0.492 12.191 1.00 0.00 H new ATOM 0 HB2 TYR A 21 9.809 0.772 13.060 1.00 0.00 H new ATOM 0 HB3 TYR A 21 8.763 1.740 14.081 1.00 0.00 H new ATOM 0 HD1 TYR A 21 7.707 0.717 16.110 1.00 0.00 H new ATOM 0 HD2 TYR A 21 10.536 -1.432 13.756 1.00 0.00 H new ATOM 0 HE1 TYR A 21 8.025 -0.877 17.949 1.00 0.00 H new ATOM 0 HE2 TYR A 21 10.852 -3.030 15.593 1.00 0.00 H new ATOM 0 HH TYR A 21 10.290 -3.622 17.645 1.00 0.00 H new ATOM 299 N TYR A 22 6.073 1.138 14.393 1.00 0.00 N ATOM 300 CA TYR A 22 4.905 1.011 15.256 1.00 0.00 C ATOM 301 C TYR A 22 3.722 0.427 14.490 1.00 0.00 C ATOM 302 O TYR A 22 3.119 -0.560 14.912 1.00 0.00 O ATOM 303 CB TYR A 22 4.527 2.373 15.841 1.00 0.00 C ATOM 304 CG TYR A 22 5.340 2.758 17.056 1.00 0.00 C ATOM 305 CD1 TYR A 22 5.572 1.846 18.078 1.00 0.00 C ATOM 306 CD2 TYR A 22 5.876 4.033 17.182 1.00 0.00 C ATOM 307 CE1 TYR A 22 6.314 2.193 19.190 1.00 0.00 C ATOM 308 CE2 TYR A 22 6.620 4.389 18.290 1.00 0.00 C ATOM 309 CZ TYR A 22 6.837 3.465 19.291 1.00 0.00 C ATOM 310 OH TYR A 22 7.576 3.816 20.397 1.00 0.00 O ATOM 0 H TYR A 22 6.540 2.044 14.445 1.00 0.00 H new ATOM 0 HA TYR A 22 5.158 0.331 16.070 1.00 0.00 H new ATOM 0 HB2 TYR A 22 4.653 3.136 15.073 1.00 0.00 H new ATOM 0 HB3 TYR A 22 3.471 2.363 16.110 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.165 0.848 18.002 1.00 0.00 H new ATOM 0 HD2 TYR A 22 5.708 4.759 16.400 1.00 0.00 H new ATOM 0 HE1 TYR A 22 6.484 1.472 19.976 1.00 0.00 H new ATOM 0 HE2 TYR A 22 7.029 5.385 18.372 1.00 0.00 H new ATOM 0 HH TYR A 22 7.872 4.746 20.311 1.00 0.00 H new ATOM 320 N LEU A 23 3.396 1.045 13.359 1.00 0.00 N ATOM 321 CA LEU A 23 2.285 0.587 12.531 1.00 0.00 C ATOM 322 C LEU A 23 2.364 -0.918 12.298 1.00 0.00 C ATOM 323 O LEU A 23 1.388 -1.641 12.502 1.00 0.00 O ATOM 324 CB LEU A 23 2.286 1.324 11.190 1.00 0.00 C ATOM 325 CG LEU A 23 1.258 0.849 10.163 1.00 0.00 C ATOM 326 CD1 LEU A 23 -0.134 1.335 10.537 1.00 0.00 C ATOM 327 CD2 LEU A 23 1.636 1.328 8.769 1.00 0.00 C ATOM 0 H LEU A 23 3.884 1.863 12.995 1.00 0.00 H new ATOM 0 HA LEU A 23 1.356 0.805 13.058 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.117 2.384 11.380 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.279 1.234 10.749 1.00 0.00 H new ATOM 0 HG LEU A 23 1.251 -0.241 10.161 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.852 0.987 9.795 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.406 0.942 11.517 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.143 2.425 10.568 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.893 0.981 8.051 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.672 2.417 8.756 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.614 0.930 8.500 1.00 0.00 H new ATOM 339 N LYS A 24 3.532 -1.385 11.870 1.00 0.00 N ATOM 340 CA LYS A 24 3.741 -2.805 11.612 1.00 0.00 C ATOM 341 C LYS A 24 3.381 -3.639 12.837 1.00 0.00 C ATOM 342 O LYS A 24 2.432 -4.422 12.810 1.00 0.00 O ATOM 343 CB LYS A 24 5.196 -3.063 11.214 1.00 0.00 C ATOM 344 CG LYS A 24 5.491 -2.757 9.756 1.00 0.00 C ATOM 345 CD LYS A 24 5.906 -1.308 9.563 1.00 0.00 C ATOM 346 CE LYS A 24 5.875 -0.910 8.095 1.00 0.00 C ATOM 347 NZ LYS A 24 7.043 -1.454 7.348 1.00 0.00 N ATOM 0 H LYS A 24 4.349 -0.800 11.694 1.00 0.00 H new ATOM 0 HA LYS A 24 3.089 -3.100 10.790 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.849 -2.458 11.843 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.439 -4.107 11.414 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.284 -3.414 9.399 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.607 -2.967 9.153 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.240 -0.659 10.131 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.910 -1.160 9.960 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.953 -1.271 7.640 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.866 0.177 8.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.985 -1.161 6.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.923 -1.089 7.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.038 -2.492 7.404 1.00 0.00 H new ATOM 361 N VAL A 25 4.146 -3.465 13.910 1.00 0.00 N ATOM 362 CA VAL A 25 3.906 -4.201 15.146 1.00 0.00 C ATOM 363 C VAL A 25 2.425 -4.202 15.507 1.00 0.00 C ATOM 364 O VAL A 25 1.927 -5.142 16.127 1.00 0.00 O ATOM 365 CB VAL A 25 4.708 -3.604 16.319 1.00 0.00 C ATOM 366 CG1 VAL A 25 4.394 -4.342 17.611 1.00 0.00 C ATOM 367 CG2 VAL A 25 6.199 -3.646 16.020 1.00 0.00 C ATOM 0 H VAL A 25 4.936 -2.822 13.949 1.00 0.00 H new ATOM 0 HA VAL A 25 4.235 -5.226 14.973 1.00 0.00 H new ATOM 0 HB VAL A 25 4.415 -2.562 16.444 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.969 -3.907 18.428 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.330 -4.255 17.830 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.657 -5.394 17.502 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.750 -3.221 16.859 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.511 -4.679 15.868 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.406 -3.068 15.119 1.00 0.00 H new ATOM 377 N HIS A 26 1.725 -3.143 15.114 1.00 0.00 N ATOM 378 CA HIS A 26 0.299 -3.022 15.394 1.00 0.00 C ATOM 379 C HIS A 26 -0.517 -3.897 14.448 1.00 0.00 C ATOM 380 O HIS A 26 -1.308 -4.732 14.885 1.00 0.00 O ATOM 381 CB HIS A 26 -0.146 -1.564 15.270 1.00 0.00 C ATOM 382 CG HIS A 26 -1.566 -1.407 14.823 1.00 0.00 C ATOM 383 ND1 HIS A 26 -2.610 -1.185 15.696 1.00 0.00 N ATOM 384 CD2 HIS A 26 -2.114 -1.439 13.585 1.00 0.00 C ATOM 385 CE1 HIS A 26 -3.738 -1.089 15.016 1.00 0.00 C ATOM 386 NE2 HIS A 26 -3.464 -1.239 13.732 1.00 0.00 N ATOM 0 H HIS A 26 2.122 -2.356 14.601 1.00 0.00 H new ATOM 0 HA HIS A 26 0.125 -3.361 16.415 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -0.021 -1.071 16.234 1.00 0.00 H new ATOM 0 HB3 HIS A 26 0.507 -1.052 14.563 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -2.524 -1.107 16.709 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -1.587 -1.593 12.655 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -4.717 -0.917 15.437 1.00 0.00 H new ATOM 394 N ASN A 27 -0.319 -3.700 13.148 1.00 0.00 N ATOM 395 CA ASN A 27 -1.038 -4.470 12.140 1.00 0.00 C ATOM 396 C ASN A 27 -1.064 -5.952 12.503 1.00 0.00 C ATOM 397 O ASN A 27 -2.127 -6.572 12.549 1.00 0.00 O ATOM 398 CB ASN A 27 -0.390 -4.282 10.767 1.00 0.00 C ATOM 399 CG ASN A 27 0.630 -5.361 10.456 1.00 0.00 C ATOM 400 OD1 ASN A 27 1.837 -5.120 10.495 1.00 0.00 O ATOM 401 ND2 ASN A 27 0.148 -6.558 10.144 1.00 0.00 N ATOM 0 H ASN A 27 0.333 -3.014 12.769 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.064 -4.105 12.104 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.164 -4.286 9.999 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.094 -3.306 10.727 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.786 -7.323 9.924 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -0.860 -6.713 10.124 1.00 0.00 H new ATOM 543 N PHE A 36 -8.159 -21.129 9.800 1.00 0.00 N ATOM 544 CA PHE A 36 -8.855 -21.547 8.589 1.00 0.00 C ATOM 545 C PHE A 36 -8.266 -20.863 7.359 1.00 0.00 C ATOM 546 O PHE A 36 -7.748 -19.750 7.444 1.00 0.00 O ATOM 547 CB PHE A 36 -10.348 -21.228 8.698 1.00 0.00 C ATOM 548 CG PHE A 36 -11.086 -22.130 9.645 1.00 0.00 C ATOM 549 CD1 PHE A 36 -10.827 -22.090 11.005 1.00 0.00 C ATOM 550 CD2 PHE A 36 -12.039 -23.019 9.174 1.00 0.00 C ATOM 551 CE1 PHE A 36 -11.505 -22.919 11.879 1.00 0.00 C ATOM 552 CE2 PHE A 36 -12.720 -23.850 10.043 1.00 0.00 C ATOM 553 CZ PHE A 36 -12.453 -23.801 11.397 1.00 0.00 C ATOM 0 HA PHE A 36 -8.727 -22.624 8.480 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.468 -20.195 9.025 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -10.801 -21.304 7.709 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -10.087 -21.403 11.387 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -12.252 -23.063 8.116 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -11.294 -22.877 12.937 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -13.461 -24.538 9.663 1.00 0.00 H new ATOM 0 HZ PHE A 36 -12.984 -24.450 12.077 1.00 0.00 H new ATOM 563 N GLU A 37 -8.349 -21.537 6.217 1.00 0.00 N ATOM 564 CA GLU A 37 -7.822 -20.995 4.970 1.00 0.00 C ATOM 565 C GLU A 37 -8.544 -21.596 3.767 1.00 0.00 C ATOM 566 O GLU A 37 -8.640 -22.817 3.633 1.00 0.00 O ATOM 567 CB GLU A 37 -6.320 -21.265 4.864 1.00 0.00 C ATOM 568 CG GLU A 37 -5.682 -20.678 3.617 1.00 0.00 C ATOM 569 CD GLU A 37 -4.239 -21.109 3.441 1.00 0.00 C ATOM 570 OE1 GLU A 37 -3.878 -22.195 3.940 1.00 0.00 O ATOM 571 OE2 GLU A 37 -3.470 -20.358 2.805 1.00 0.00 O ATOM 0 H GLU A 37 -8.776 -22.459 6.129 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.991 -19.918 4.973 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.823 -20.855 5.743 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.151 -22.342 4.875 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.257 -20.982 2.742 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.729 -19.590 3.667 1.00 0.00 H new ATOM 578 N CYS A 38 -9.050 -20.731 2.895 1.00 0.00 N ATOM 579 CA CYS A 38 -9.764 -21.174 1.704 1.00 0.00 C ATOM 580 C CYS A 38 -9.054 -22.357 1.052 1.00 0.00 C ATOM 581 O CYS A 38 -7.967 -22.227 0.488 1.00 0.00 O ATOM 582 CB CYS A 38 -9.889 -20.025 0.701 1.00 0.00 C ATOM 583 SG CYS A 38 -11.306 -20.180 -0.434 1.00 0.00 S ATOM 0 H CYS A 38 -8.979 -19.718 2.991 1.00 0.00 H new ATOM 0 HA CYS A 38 -10.761 -21.493 2.007 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -9.977 -19.087 1.249 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.972 -19.967 0.115 1.00 0.00 H new ATOM 0 HG CYS A 38 -11.971 -19.063 -0.453 1.00 0.00 H new ATOM 588 N PRO A 39 -9.680 -23.541 1.131 1.00 0.00 N ATOM 589 CA PRO A 39 -9.127 -24.769 0.555 1.00 0.00 C ATOM 590 C PRO A 39 -9.143 -24.752 -0.970 1.00 0.00 C ATOM 591 O PRO A 39 -8.719 -25.711 -1.616 1.00 0.00 O ATOM 592 CB PRO A 39 -10.058 -25.862 1.087 1.00 0.00 C ATOM 593 CG PRO A 39 -11.345 -25.163 1.359 1.00 0.00 C ATOM 594 CD PRO A 39 -10.977 -23.770 1.790 1.00 0.00 C ATOM 0 HA PRO A 39 -8.081 -24.911 0.827 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -10.188 -26.661 0.357 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.656 -26.319 1.992 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -11.974 -25.143 0.469 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -11.911 -25.676 2.137 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -11.723 -23.041 1.473 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -10.896 -23.693 2.874 1.00 0.00 H new ATOM 602 N LYS A 40 -9.634 -23.657 -1.540 1.00 0.00 N ATOM 603 CA LYS A 40 -9.704 -23.514 -2.989 1.00 0.00 C ATOM 604 C LYS A 40 -8.523 -22.702 -3.513 1.00 0.00 C ATOM 605 O LYS A 40 -7.884 -23.080 -4.495 1.00 0.00 O ATOM 606 CB LYS A 40 -11.018 -22.841 -3.393 1.00 0.00 C ATOM 607 CG LYS A 40 -12.231 -23.744 -3.253 1.00 0.00 C ATOM 608 CD LYS A 40 -13.416 -23.212 -4.041 1.00 0.00 C ATOM 609 CE LYS A 40 -14.716 -23.874 -3.609 1.00 0.00 C ATOM 610 NZ LYS A 40 -14.988 -25.118 -4.381 1.00 0.00 N ATOM 0 H LYS A 40 -9.990 -22.855 -1.020 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.662 -24.510 -3.430 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.165 -21.952 -2.780 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.942 -22.506 -4.427 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.982 -24.746 -3.601 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -12.502 -23.830 -2.201 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -13.492 -22.134 -3.902 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -13.254 -23.386 -5.105 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -14.668 -24.110 -2.546 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.542 -23.175 -3.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -15.882 -25.539 -4.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -15.059 -24.890 -5.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.213 -25.795 -4.233 1.00 0.00 H new ATOM 624 N CYS A 41 -8.238 -21.586 -2.850 1.00 0.00 N ATOM 625 CA CYS A 41 -7.134 -20.721 -3.248 1.00 0.00 C ATOM 626 C CYS A 41 -6.023 -20.741 -2.202 1.00 0.00 C ATOM 627 O CYS A 41 -4.844 -20.848 -2.535 1.00 0.00 O ATOM 628 CB CYS A 41 -7.629 -19.289 -3.454 1.00 0.00 C ATOM 629 SG CYS A 41 -8.434 -18.562 -1.990 1.00 0.00 S ATOM 0 H CYS A 41 -8.757 -21.260 -2.035 1.00 0.00 H new ATOM 0 HA CYS A 41 -6.731 -21.098 -4.188 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.785 -18.662 -3.740 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.333 -19.275 -4.286 1.00 0.00 H new ATOM 0 HG CYS A 41 -9.536 -19.204 -1.737 1.00 0.00 H new ATOM 634 N GLY A 42 -6.410 -20.639 -0.934 1.00 0.00 N ATOM 635 CA GLY A 42 -5.436 -20.647 0.142 1.00 0.00 C ATOM 636 C GLY A 42 -5.325 -19.303 0.834 1.00 0.00 C ATOM 637 O GLY A 42 -4.224 -18.838 1.131 1.00 0.00 O ATOM 0 H GLY A 42 -7.381 -20.551 -0.633 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.713 -21.407 0.873 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.461 -20.929 -0.257 1.00 0.00 H new ATOM 641 N LYS A 43 -6.468 -18.676 1.092 1.00 0.00 N ATOM 642 CA LYS A 43 -6.496 -17.377 1.753 1.00 0.00 C ATOM 643 C LYS A 43 -6.845 -17.526 3.231 1.00 0.00 C ATOM 644 O LYS A 43 -7.981 -17.851 3.580 1.00 0.00 O ATOM 645 CB LYS A 43 -7.508 -16.455 1.069 1.00 0.00 C ATOM 646 CG LYS A 43 -7.123 -14.987 1.119 1.00 0.00 C ATOM 647 CD LYS A 43 -7.640 -14.317 2.381 1.00 0.00 C ATOM 648 CE LYS A 43 -6.907 -13.014 2.662 1.00 0.00 C ATOM 649 NZ LYS A 43 -7.532 -12.256 3.781 1.00 0.00 N ATOM 0 H LYS A 43 -7.388 -19.047 0.853 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.502 -16.936 1.675 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.617 -16.758 0.028 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.482 -16.583 1.542 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.038 -14.893 1.075 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.524 -14.475 0.244 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.707 -14.120 2.278 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.520 -14.993 3.228 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.866 -13.228 2.905 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.904 -12.398 1.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.565 -11.245 3.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.498 -12.606 3.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.969 -12.387 4.646 1.00 0.00 H new ATOM 663 N CYS A 44 -5.864 -17.285 4.093 1.00 0.00 N ATOM 664 CA CYS A 44 -6.069 -17.392 5.533 1.00 0.00 C ATOM 665 C CYS A 44 -7.136 -16.408 6.005 1.00 0.00 C ATOM 666 O CYS A 44 -7.360 -15.372 5.379 1.00 0.00 O ATOM 667 CB CYS A 44 -4.757 -17.135 6.276 1.00 0.00 C ATOM 668 SG CYS A 44 -3.422 -18.269 5.829 1.00 0.00 S ATOM 0 H CYS A 44 -4.919 -17.014 3.820 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.411 -18.404 5.753 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.433 -16.113 6.077 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -4.938 -17.209 7.348 1.00 0.00 H new ATOM 0 HG CYS A 44 -2.354 -17.971 6.507 1.00 0.00 H new ATOM 674 N TYR A 45 -7.791 -16.741 7.112 1.00 0.00 N ATOM 675 CA TYR A 45 -8.837 -15.890 7.665 1.00 0.00 C ATOM 676 C TYR A 45 -8.963 -16.091 9.172 1.00 0.00 C ATOM 677 O TYR A 45 -8.876 -17.214 9.670 1.00 0.00 O ATOM 678 CB TYR A 45 -10.176 -16.184 6.987 1.00 0.00 C ATOM 679 CG TYR A 45 -10.399 -15.393 5.718 1.00 0.00 C ATOM 680 CD1 TYR A 45 -10.767 -14.054 5.766 1.00 0.00 C ATOM 681 CD2 TYR A 45 -10.243 -15.985 4.470 1.00 0.00 C ATOM 682 CE1 TYR A 45 -10.972 -13.327 4.610 1.00 0.00 C ATOM 683 CE2 TYR A 45 -10.445 -15.265 3.308 1.00 0.00 C ATOM 684 CZ TYR A 45 -10.809 -13.937 3.383 1.00 0.00 C ATOM 685 OH TYR A 45 -11.013 -13.218 2.228 1.00 0.00 O ATOM 0 H TYR A 45 -7.616 -17.594 7.643 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.562 -14.852 7.476 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.231 -17.248 6.756 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -10.983 -15.967 7.687 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -10.895 -13.573 6.725 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.959 -17.025 4.408 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -11.258 -12.287 4.666 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.318 -15.740 2.346 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.295 -12.559 2.122 1.00 0.00 H new ATOM 695 N PHE A 46 -9.168 -14.994 9.894 1.00 0.00 N ATOM 696 CA PHE A 46 -9.306 -15.049 11.345 1.00 0.00 C ATOM 697 C PHE A 46 -10.331 -16.102 11.755 1.00 0.00 C ATOM 698 O PHE A 46 -10.018 -17.031 12.499 1.00 0.00 O ATOM 699 CB PHE A 46 -9.718 -13.680 11.891 1.00 0.00 C ATOM 700 CG PHE A 46 -9.862 -13.649 13.386 1.00 0.00 C ATOM 701 CD1 PHE A 46 -8.756 -13.807 14.205 1.00 0.00 C ATOM 702 CD2 PHE A 46 -11.104 -13.464 13.971 1.00 0.00 C ATOM 703 CE1 PHE A 46 -8.886 -13.779 15.581 1.00 0.00 C ATOM 704 CE2 PHE A 46 -11.240 -13.435 15.346 1.00 0.00 C ATOM 705 CZ PHE A 46 -10.129 -13.594 16.152 1.00 0.00 C ATOM 0 H PHE A 46 -9.242 -14.057 9.498 1.00 0.00 H new ATOM 0 HA PHE A 46 -8.340 -15.325 11.767 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -8.977 -12.940 11.590 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.664 -13.386 11.437 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -7.781 -13.954 13.764 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -11.976 -13.341 13.346 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -8.016 -13.902 16.209 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -12.214 -13.288 15.790 1.00 0.00 H new ATOM 0 HZ PHE A 46 -10.233 -13.574 17.227 1.00 0.00 H new ATOM 715 N ARG A 47 -11.557 -15.948 11.265 1.00 0.00 N ATOM 716 CA ARG A 47 -12.629 -16.884 11.581 1.00 0.00 C ATOM 717 C ARG A 47 -13.109 -17.606 10.325 1.00 0.00 C ATOM 718 O ARG A 47 -12.818 -17.186 9.205 1.00 0.00 O ATOM 719 CB ARG A 47 -13.798 -16.150 12.239 1.00 0.00 C ATOM 720 CG ARG A 47 -13.655 -16.001 13.745 1.00 0.00 C ATOM 721 CD ARG A 47 -14.932 -15.468 14.376 1.00 0.00 C ATOM 722 NE ARG A 47 -14.763 -15.189 15.799 1.00 0.00 N ATOM 723 CZ ARG A 47 -15.771 -15.141 16.663 1.00 0.00 C ATOM 724 NH1 ARG A 47 -17.013 -15.352 16.250 1.00 0.00 N ATOM 725 NH2 ARG A 47 -15.538 -14.881 17.943 1.00 0.00 N ATOM 0 H ARG A 47 -11.832 -15.184 10.648 1.00 0.00 H new ATOM 0 HA ARG A 47 -12.237 -17.625 12.277 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -13.892 -15.160 11.792 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -14.721 -16.687 12.022 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.406 -16.967 14.185 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -12.829 -15.326 13.968 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -15.238 -14.557 13.862 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -15.734 -16.194 14.242 1.00 0.00 H new ATOM 0 HE ARG A 47 -13.820 -15.022 16.149 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -17.196 -15.552 15.267 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -17.785 -15.315 16.916 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.584 -14.718 18.265 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -16.313 -14.844 18.605 1.00 0.00 H new ATOM 739 N LYS A 48 -13.846 -18.694 10.519 1.00 0.00 N ATOM 740 CA LYS A 48 -14.368 -19.475 9.404 1.00 0.00 C ATOM 741 C LYS A 48 -15.485 -18.722 8.689 1.00 0.00 C ATOM 742 O LYS A 48 -15.448 -18.549 7.471 1.00 0.00 O ATOM 743 CB LYS A 48 -14.885 -20.827 9.899 1.00 0.00 C ATOM 744 CG LYS A 48 -15.262 -21.781 8.779 1.00 0.00 C ATOM 745 CD LYS A 48 -16.062 -22.964 9.299 1.00 0.00 C ATOM 746 CE LYS A 48 -17.556 -22.678 9.281 1.00 0.00 C ATOM 747 NZ LYS A 48 -18.292 -23.514 10.269 1.00 0.00 N ATOM 0 H LYS A 48 -14.096 -19.055 11.440 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.555 -19.641 8.697 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.121 -21.293 10.520 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -15.756 -20.663 10.534 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -15.845 -21.249 8.027 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -14.358 -22.140 8.286 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -15.851 -23.843 8.690 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -15.748 -23.198 10.316 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -17.727 -21.624 9.499 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -17.950 -22.865 8.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -19.307 -23.290 10.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -18.150 -24.520 10.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -17.934 -23.317 11.225 1.00 0.00 H new ATOM 761 N GLU A 49 -16.476 -18.275 9.454 1.00 0.00 N ATOM 762 CA GLU A 49 -17.603 -17.540 8.892 1.00 0.00 C ATOM 763 C GLU A 49 -17.139 -16.592 7.790 1.00 0.00 C ATOM 764 O GLU A 49 -17.641 -16.634 6.668 1.00 0.00 O ATOM 765 CB GLU A 49 -18.324 -16.752 9.988 1.00 0.00 C ATOM 766 CG GLU A 49 -19.802 -16.536 9.709 1.00 0.00 C ATOM 767 CD GLU A 49 -20.572 -17.838 9.598 1.00 0.00 C ATOM 768 OE1 GLU A 49 -20.730 -18.523 10.629 1.00 0.00 O ATOM 769 OE2 GLU A 49 -21.016 -18.170 8.479 1.00 0.00 O ATOM 0 H GLU A 49 -16.521 -18.409 10.464 1.00 0.00 H new ATOM 0 HA GLU A 49 -18.295 -18.262 8.459 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -18.215 -17.280 10.935 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -17.839 -15.783 10.106 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -20.233 -15.930 10.506 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -19.914 -15.972 8.783 1.00 0.00 H new ATOM 776 N ASN A 50 -16.176 -15.737 8.120 1.00 0.00 N ATOM 777 CA ASN A 50 -15.645 -14.776 7.160 1.00 0.00 C ATOM 778 C ASN A 50 -15.156 -15.482 5.898 1.00 0.00 C ATOM 779 O ASN A 50 -15.519 -15.106 4.783 1.00 0.00 O ATOM 780 CB ASN A 50 -14.500 -13.978 7.786 1.00 0.00 C ATOM 781 CG ASN A 50 -14.982 -13.022 8.860 1.00 0.00 C ATOM 782 OD1 ASN A 50 -14.568 -13.266 10.098 1.00 0.00 O flip ATOM 783 ND2 ASN A 50 -15.717 -12.075 8.580 1.00 0.00 N flip ATOM 0 H ASN A 50 -15.748 -15.690 9.045 1.00 0.00 H new ATOM 0 HA ASN A 50 -16.448 -14.092 6.886 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.773 -14.667 8.216 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -13.984 -13.416 7.008 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -16.011 -11.925 7.615 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -16.032 -11.440 9.313 1.00 0.00 H new ATOM 790 N LEU A 51 -14.333 -16.508 6.083 1.00 0.00 N ATOM 791 CA LEU A 51 -13.795 -17.269 4.960 1.00 0.00 C ATOM 792 C LEU A 51 -14.903 -17.667 3.991 1.00 0.00 C ATOM 793 O LEU A 51 -14.802 -17.435 2.785 1.00 0.00 O ATOM 794 CB LEU A 51 -13.070 -18.517 5.465 1.00 0.00 C ATOM 795 CG LEU A 51 -12.703 -19.556 4.404 1.00 0.00 C ATOM 796 CD1 LEU A 51 -11.595 -19.030 3.504 1.00 0.00 C ATOM 797 CD2 LEU A 51 -12.284 -20.863 5.060 1.00 0.00 C ATOM 0 H LEU A 51 -14.024 -16.832 6.999 1.00 0.00 H new ATOM 0 HA LEU A 51 -13.085 -16.634 4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.156 -18.203 5.969 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.697 -18.999 6.215 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.583 -19.747 3.790 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -11.347 -19.782 2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.931 -18.120 3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.712 -18.810 4.104 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.027 -21.590 4.290 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -11.418 -20.688 5.698 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.107 -21.248 5.662 1.00 0.00 H new ATOM 809 N LEU A 52 -15.962 -18.266 4.525 1.00 0.00 N ATOM 810 CA LEU A 52 -17.092 -18.694 3.708 1.00 0.00 C ATOM 811 C LEU A 52 -17.576 -17.560 2.811 1.00 0.00 C ATOM 812 O LEU A 52 -17.844 -17.764 1.627 1.00 0.00 O ATOM 813 CB LEU A 52 -18.236 -19.179 4.600 1.00 0.00 C ATOM 814 CG LEU A 52 -17.970 -20.454 5.400 1.00 0.00 C ATOM 815 CD1 LEU A 52 -19.066 -20.677 6.430 1.00 0.00 C ATOM 816 CD2 LEU A 52 -17.857 -21.654 4.471 1.00 0.00 C ATOM 0 H LEU A 52 -16.062 -18.466 5.520 1.00 0.00 H new ATOM 0 HA LEU A 52 -16.760 -19.516 3.074 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -18.488 -18.382 5.299 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -19.113 -19.343 3.974 1.00 0.00 H new ATOM 0 HG LEU A 52 -17.023 -20.337 5.927 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -18.859 -21.589 6.990 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -19.099 -19.830 7.116 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -20.027 -20.772 5.924 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -17.668 -22.552 5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -18.787 -21.773 3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -17.035 -21.497 3.773 1.00 0.00 H new ATOM 828 N GLU A 53 -17.684 -16.365 3.382 1.00 0.00 N ATOM 829 CA GLU A 53 -18.135 -15.198 2.633 1.00 0.00 C ATOM 830 C GLU A 53 -17.267 -14.976 1.397 1.00 0.00 C ATOM 831 O GLU A 53 -17.763 -14.599 0.336 1.00 0.00 O ATOM 832 CB GLU A 53 -18.107 -13.952 3.520 1.00 0.00 C ATOM 833 CG GLU A 53 -18.984 -14.064 4.756 1.00 0.00 C ATOM 834 CD GLU A 53 -19.133 -12.745 5.487 1.00 0.00 C ATOM 835 OE1 GLU A 53 -19.904 -11.886 5.009 1.00 0.00 O ATOM 836 OE2 GLU A 53 -18.480 -12.570 6.537 1.00 0.00 O ATOM 0 H GLU A 53 -17.465 -16.179 4.361 1.00 0.00 H new ATOM 0 HA GLU A 53 -19.159 -15.380 2.309 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -17.080 -13.760 3.830 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -18.429 -13.092 2.933 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -19.970 -14.427 4.466 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -18.558 -14.804 5.433 1.00 0.00 H new ATOM 843 N HIS A 54 -15.967 -15.213 1.545 1.00 0.00 N ATOM 844 CA HIS A 54 -15.029 -15.039 0.442 1.00 0.00 C ATOM 845 C HIS A 54 -15.251 -16.099 -0.633 1.00 0.00 C ATOM 846 O HIS A 54 -15.401 -15.780 -1.811 1.00 0.00 O ATOM 847 CB HIS A 54 -13.589 -15.108 0.953 1.00 0.00 C ATOM 848 CG HIS A 54 -12.616 -15.618 -0.064 1.00 0.00 C ATOM 849 ND1 HIS A 54 -12.434 -16.860 -0.570 1.00 0.00 N flip ATOM 850 CD2 HIS A 54 -11.682 -14.814 -0.682 1.00 0.00 C flip ATOM 851 CE1 HIS A 54 -11.404 -16.784 -1.476 1.00 0.00 C flip ATOM 852 NE2 HIS A 54 -10.968 -15.538 -1.525 1.00 0.00 N flip ATOM 0 H HIS A 54 -15.540 -15.526 2.417 1.00 0.00 H new ATOM 0 HA HIS A 54 -15.204 -14.058 0.001 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -13.278 -14.114 1.274 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -13.555 -15.752 1.832 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -11.554 -13.756 -0.504 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -11.014 -17.609 -2.054 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -10.209 -15.194 -2.113 1.00 0.00 H new ATOM 860 N GLU A 55 -15.268 -17.362 -0.216 1.00 0.00 N ATOM 861 CA GLU A 55 -15.470 -18.469 -1.144 1.00 0.00 C ATOM 862 C GLU A 55 -16.587 -18.152 -2.134 1.00 0.00 C ATOM 863 O GLU A 55 -16.467 -18.421 -3.329 1.00 0.00 O ATOM 864 CB GLU A 55 -15.801 -19.751 -0.378 1.00 0.00 C ATOM 865 CG GLU A 55 -14.589 -20.409 0.259 1.00 0.00 C ATOM 866 CD GLU A 55 -14.935 -21.699 0.978 1.00 0.00 C ATOM 867 OE1 GLU A 55 -15.912 -21.702 1.755 1.00 0.00 O ATOM 868 OE2 GLU A 55 -14.229 -22.706 0.761 1.00 0.00 O ATOM 0 H GLU A 55 -15.145 -17.643 0.757 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.545 -18.616 -1.702 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.530 -19.522 0.399 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -16.273 -20.460 -1.059 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -13.846 -20.615 -0.511 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -14.133 -19.715 0.965 1.00 0.00 H new ATOM 875 N ALA A 56 -17.674 -17.579 -1.627 1.00 0.00 N ATOM 876 CA ALA A 56 -18.812 -17.224 -2.466 1.00 0.00 C ATOM 877 C ALA A 56 -18.611 -15.859 -3.115 1.00 0.00 C ATOM 878 O ALA A 56 -18.808 -15.700 -4.320 1.00 0.00 O ATOM 879 CB ALA A 56 -20.095 -17.238 -1.648 1.00 0.00 C ATOM 0 H ALA A 56 -17.790 -17.351 -0.640 1.00 0.00 H new ATOM 0 HA ALA A 56 -18.892 -17.966 -3.260 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -20.937 -16.971 -2.287 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -20.253 -18.235 -1.237 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -20.015 -16.518 -0.834 1.00 0.00 H new ATOM 885 N ARG A 57 -18.220 -14.878 -2.310 1.00 0.00 N ATOM 886 CA ARG A 57 -17.994 -13.526 -2.807 1.00 0.00 C ATOM 887 C ARG A 57 -16.973 -13.527 -3.940 1.00 0.00 C ATOM 888 O ARG A 57 -17.290 -13.173 -5.075 1.00 0.00 O ATOM 889 CB ARG A 57 -17.514 -12.617 -1.674 1.00 0.00 C ATOM 890 CG ARG A 57 -18.613 -12.226 -0.699 1.00 0.00 C ATOM 891 CD ARG A 57 -19.363 -10.991 -1.171 1.00 0.00 C ATOM 892 NE ARG A 57 -20.045 -11.217 -2.443 1.00 0.00 N ATOM 893 CZ ARG A 57 -21.332 -11.529 -2.542 1.00 0.00 C ATOM 894 NH1 ARG A 57 -22.074 -11.650 -1.449 1.00 0.00 N ATOM 895 NH2 ARG A 57 -21.880 -11.720 -3.735 1.00 0.00 N ATOM 0 H ARG A 57 -18.053 -14.993 -1.310 1.00 0.00 H new ATOM 0 HA ARG A 57 -18.939 -13.145 -3.193 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -16.718 -13.122 -1.127 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -17.082 -11.713 -2.103 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -19.311 -13.055 -0.584 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -18.179 -12.036 0.283 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -20.093 -10.699 -0.415 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -18.664 -10.161 -1.277 1.00 0.00 H new ATOM 0 HE ARG A 57 -19.503 -11.130 -3.303 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -21.656 -11.503 -0.530 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -23.062 -11.890 -1.527 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -21.313 -11.627 -4.578 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -22.869 -11.960 -3.810 1.00 0.00 H new ATOM 909 N ASN A 58 -15.745 -13.925 -3.623 1.00 0.00 N ATOM 910 CA ASN A 58 -14.676 -13.971 -4.615 1.00 0.00 C ATOM 911 C ASN A 58 -13.554 -14.901 -4.163 1.00 0.00 C ATOM 912 O ASN A 58 -13.177 -14.912 -2.991 1.00 0.00 O ATOM 913 CB ASN A 58 -14.122 -12.567 -4.863 1.00 0.00 C ATOM 914 CG ASN A 58 -12.653 -12.583 -5.238 1.00 0.00 C ATOM 915 OD1 ASN A 58 -11.807 -13.028 -4.462 1.00 0.00 O ATOM 916 ND2 ASN A 58 -12.342 -12.097 -6.434 1.00 0.00 N ATOM 0 H ASN A 58 -15.465 -14.220 -2.688 1.00 0.00 H new ATOM 0 HA ASN A 58 -15.093 -14.359 -5.544 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -14.692 -12.090 -5.660 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -14.259 -11.962 -3.967 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.370 -12.083 -6.741 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -13.076 -11.738 -7.045 1.00 0.00 H new ATOM 1031 N VAL A 66 -0.280 -7.839 -10.324 1.00 0.00 N ATOM 1032 CA VAL A 66 0.349 -7.077 -9.251 1.00 0.00 C ATOM 1033 C VAL A 66 1.864 -7.040 -9.420 1.00 0.00 C ATOM 1034 O VAL A 66 2.445 -7.888 -10.097 1.00 0.00 O ATOM 1035 CB VAL A 66 0.011 -7.669 -7.870 1.00 0.00 C ATOM 1036 CG1 VAL A 66 -1.464 -7.477 -7.553 1.00 0.00 C ATOM 1037 CG2 VAL A 66 0.390 -9.141 -7.814 1.00 0.00 C ATOM 0 HA VAL A 66 -0.045 -6.062 -9.309 1.00 0.00 H new ATOM 0 HB VAL A 66 0.592 -7.139 -7.115 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.684 -7.902 -6.573 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.700 -6.413 -7.548 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.067 -7.979 -8.310 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.144 -9.543 -6.831 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.162 -9.688 -8.578 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.460 -9.248 -7.993 1.00 0.00 H new ATOM 1047 N PHE A 67 2.499 -6.052 -8.798 1.00 0.00 N ATOM 1048 CA PHE A 67 3.947 -5.903 -8.879 1.00 0.00 C ATOM 1049 C PHE A 67 4.599 -6.187 -7.529 1.00 0.00 C ATOM 1050 O PHE A 67 3.941 -6.154 -6.489 1.00 0.00 O ATOM 1051 CB PHE A 67 4.311 -4.492 -9.347 1.00 0.00 C ATOM 1052 CG PHE A 67 3.846 -4.185 -10.742 1.00 0.00 C ATOM 1053 CD1 PHE A 67 2.499 -4.019 -11.018 1.00 0.00 C ATOM 1054 CD2 PHE A 67 4.758 -4.063 -11.779 1.00 0.00 C ATOM 1055 CE1 PHE A 67 2.068 -3.736 -12.300 1.00 0.00 C ATOM 1056 CE2 PHE A 67 4.333 -3.780 -13.063 1.00 0.00 C ATOM 1057 CZ PHE A 67 2.987 -3.617 -13.325 1.00 0.00 C ATOM 0 H PHE A 67 2.033 -5.343 -8.232 1.00 0.00 H new ATOM 0 HA PHE A 67 4.322 -6.626 -9.603 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.876 -3.766 -8.660 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.393 -4.369 -9.298 1.00 0.00 H new ATOM 0 HD1 PHE A 67 1.776 -4.112 -10.221 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.812 -4.191 -11.581 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.015 -3.608 -12.501 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.054 -3.686 -13.862 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.653 -3.397 -14.328 1.00 0.00 H new ATOM 1067 N THR A 68 5.899 -6.466 -7.554 1.00 0.00 N ATOM 1068 CA THR A 68 6.641 -6.758 -6.334 1.00 0.00 C ATOM 1069 C THR A 68 7.864 -5.858 -6.206 1.00 0.00 C ATOM 1070 O THR A 68 8.660 -5.739 -7.138 1.00 0.00 O ATOM 1071 CB THR A 68 7.093 -8.230 -6.290 1.00 0.00 C ATOM 1072 OG1 THR A 68 5.955 -9.095 -6.368 1.00 0.00 O ATOM 1073 CG2 THR A 68 7.869 -8.519 -5.014 1.00 0.00 C ATOM 0 H THR A 68 6.459 -6.496 -8.406 1.00 0.00 H new ATOM 0 HA THR A 68 5.965 -6.569 -5.500 1.00 0.00 H new ATOM 0 HB THR A 68 7.746 -8.412 -7.144 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.251 -10.029 -6.341 1.00 0.00 H new ATOM 0 HG21 THR A 68 8.178 -9.564 -5.005 1.00 0.00 H new ATOM 0 HG22 THR A 68 8.751 -7.880 -4.972 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.235 -8.320 -4.150 1.00 0.00 H new ATOM 1081 N CYS A 69 8.010 -5.227 -5.046 1.00 0.00 N ATOM 1082 CA CYS A 69 9.138 -4.337 -4.796 1.00 0.00 C ATOM 1083 C CYS A 69 10.459 -5.096 -4.881 1.00 0.00 C ATOM 1084 O CYS A 69 10.477 -6.325 -4.943 1.00 0.00 O ATOM 1085 CB CYS A 69 9.001 -3.681 -3.420 1.00 0.00 C ATOM 1086 SG CYS A 69 10.012 -2.181 -3.207 1.00 0.00 S ATOM 0 H CYS A 69 7.361 -5.315 -4.264 1.00 0.00 H new ATOM 0 HA CYS A 69 9.135 -3.562 -5.563 1.00 0.00 H new ATOM 0 HB2 CYS A 69 7.954 -3.427 -3.253 1.00 0.00 H new ATOM 0 HB3 CYS A 69 9.279 -4.405 -2.655 1.00 0.00 H new ATOM 0 HG CYS A 69 10.556 -2.188 -2.026 1.00 0.00 H new ATOM 1091 N SER A 70 11.562 -4.354 -4.883 1.00 0.00 N ATOM 1092 CA SER A 70 12.887 -4.956 -4.964 1.00 0.00 C ATOM 1093 C SER A 70 13.647 -4.776 -3.653 1.00 0.00 C ATOM 1094 O SER A 70 14.782 -5.232 -3.511 1.00 0.00 O ATOM 1095 CB SER A 70 13.682 -4.338 -6.116 1.00 0.00 C ATOM 1096 OG SER A 70 14.912 -5.014 -6.307 1.00 0.00 O ATOM 0 H SER A 70 11.564 -3.335 -4.829 1.00 0.00 H new ATOM 0 HA SER A 70 12.763 -6.023 -5.149 1.00 0.00 H new ATOM 0 HB2 SER A 70 13.094 -4.381 -7.032 1.00 0.00 H new ATOM 0 HB3 SER A 70 13.871 -3.285 -5.908 1.00 0.00 H new ATOM 0 HG SER A 70 15.241 -5.344 -5.445 1.00 0.00 H new ATOM 1102 N VAL A 71 13.012 -4.107 -2.696 1.00 0.00 N ATOM 1103 CA VAL A 71 13.626 -3.866 -1.395 1.00 0.00 C ATOM 1104 C VAL A 71 12.859 -4.576 -0.285 1.00 0.00 C ATOM 1105 O VAL A 71 13.444 -5.288 0.532 1.00 0.00 O ATOM 1106 CB VAL A 71 13.692 -2.361 -1.076 1.00 0.00 C ATOM 1107 CG1 VAL A 71 14.294 -2.133 0.302 1.00 0.00 C ATOM 1108 CG2 VAL A 71 14.488 -1.624 -2.143 1.00 0.00 C ATOM 0 H VAL A 71 12.073 -3.722 -2.797 1.00 0.00 H new ATOM 0 HA VAL A 71 14.639 -4.264 -1.445 1.00 0.00 H new ATOM 0 HB VAL A 71 12.677 -1.964 -1.073 1.00 0.00 H new ATOM 0 HG11 VAL A 71 14.333 -1.064 0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 71 13.679 -2.627 1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 71 15.303 -2.545 0.331 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.524 -0.562 -1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 71 15.502 -2.022 -2.181 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.009 -1.759 -3.113 1.00 0.00 H new ATOM 1118 N CYS A 72 11.545 -4.380 -0.262 1.00 0.00 N ATOM 1119 CA CYS A 72 10.696 -5.001 0.747 1.00 0.00 C ATOM 1120 C CYS A 72 9.783 -6.050 0.119 1.00 0.00 C ATOM 1121 O CYS A 72 9.073 -6.770 0.821 1.00 0.00 O ATOM 1122 CB CYS A 72 9.856 -3.940 1.460 1.00 0.00 C ATOM 1123 SG CYS A 72 8.776 -2.978 0.352 1.00 0.00 S ATOM 0 H CYS A 72 11.045 -3.795 -0.932 1.00 0.00 H new ATOM 0 HA CYS A 72 11.341 -5.494 1.475 1.00 0.00 H new ATOM 0 HB2 CYS A 72 9.241 -4.427 2.217 1.00 0.00 H new ATOM 0 HB3 CYS A 72 10.523 -3.255 1.984 1.00 0.00 H new ATOM 0 HG CYS A 72 8.105 -2.108 1.047 1.00 0.00 H new ATOM 1128 N GLN A 73 9.809 -6.131 -1.208 1.00 0.00 N ATOM 1129 CA GLN A 73 8.984 -7.092 -1.930 1.00 0.00 C ATOM 1130 C GLN A 73 7.501 -6.800 -1.724 1.00 0.00 C ATOM 1131 O GLN A 73 6.678 -7.714 -1.694 1.00 0.00 O ATOM 1132 CB GLN A 73 9.304 -8.516 -1.474 1.00 0.00 C ATOM 1133 CG GLN A 73 10.790 -8.835 -1.473 1.00 0.00 C ATOM 1134 CD GLN A 73 11.499 -8.318 -2.710 1.00 0.00 C ATOM 1135 OE1 GLN A 73 12.393 -7.355 -2.521 1.00 0.00 O flip ATOM 1136 NE2 GLN A 73 11.245 -8.779 -3.823 1.00 0.00 N flip ATOM 0 H GLN A 73 10.392 -5.543 -1.804 1.00 0.00 H new ATOM 0 HA GLN A 73 9.209 -7.000 -2.992 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.908 -8.664 -0.469 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.790 -9.222 -2.126 1.00 0.00 H new ATOM 0 HG2 GLN A 73 11.251 -8.400 -0.586 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.926 -9.914 -1.405 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.550 -9.519 -3.922 1.00 0.00 H new ATOM 0 HE22 GLN A 73 11.729 -8.421 -4.646 1.00 0.00 H new ATOM 1145 N GLU A 74 7.169 -5.521 -1.580 1.00 0.00 N ATOM 1146 CA GLU A 74 5.785 -5.110 -1.375 1.00 0.00 C ATOM 1147 C GLU A 74 4.894 -5.618 -2.505 1.00 0.00 C ATOM 1148 O GLU A 74 5.359 -6.294 -3.423 1.00 0.00 O ATOM 1149 CB GLU A 74 5.691 -3.586 -1.282 1.00 0.00 C ATOM 1150 CG GLU A 74 4.612 -3.100 -0.328 1.00 0.00 C ATOM 1151 CD GLU A 74 4.507 -3.957 0.919 1.00 0.00 C ATOM 1152 OE1 GLU A 74 5.406 -3.863 1.780 1.00 0.00 O ATOM 1153 OE2 GLU A 74 3.526 -4.721 1.033 1.00 0.00 O ATOM 0 H GLU A 74 7.839 -4.752 -1.601 1.00 0.00 H new ATOM 0 HA GLU A 74 5.438 -5.546 -0.438 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.654 -3.190 -0.960 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.496 -3.181 -2.275 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.824 -2.070 -0.040 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.652 -3.096 -0.843 1.00 0.00 H new ATOM 1160 N THR A 75 3.608 -5.287 -2.431 1.00 0.00 N ATOM 1161 CA THR A 75 2.650 -5.710 -3.444 1.00 0.00 C ATOM 1162 C THR A 75 1.884 -4.518 -4.008 1.00 0.00 C ATOM 1163 O THR A 75 1.302 -3.732 -3.260 1.00 0.00 O ATOM 1164 CB THR A 75 1.645 -6.730 -2.877 1.00 0.00 C ATOM 1165 OG1 THR A 75 1.146 -6.276 -1.614 1.00 0.00 O ATOM 1166 CG2 THR A 75 2.296 -8.095 -2.711 1.00 0.00 C ATOM 0 H THR A 75 3.206 -4.727 -1.679 1.00 0.00 H new ATOM 0 HA THR A 75 3.223 -6.182 -4.243 1.00 0.00 H new ATOM 0 HB THR A 75 0.818 -6.823 -3.581 1.00 0.00 H new ATOM 0 HG1 THR A 75 0.991 -5.309 -1.652 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.567 -8.799 -2.309 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.648 -8.450 -3.679 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.139 -8.015 -2.025 1.00 0.00 H new ATOM 1174 N PHE A 76 1.887 -4.391 -5.330 1.00 0.00 N ATOM 1175 CA PHE A 76 1.192 -3.294 -5.994 1.00 0.00 C ATOM 1176 C PHE A 76 0.271 -3.819 -7.092 1.00 0.00 C ATOM 1177 O PHE A 76 0.199 -5.024 -7.333 1.00 0.00 O ATOM 1178 CB PHE A 76 2.200 -2.308 -6.587 1.00 0.00 C ATOM 1179 CG PHE A 76 3.302 -1.934 -5.638 1.00 0.00 C ATOM 1180 CD1 PHE A 76 4.319 -2.830 -5.350 1.00 0.00 C ATOM 1181 CD2 PHE A 76 3.322 -0.687 -5.034 1.00 0.00 C ATOM 1182 CE1 PHE A 76 5.336 -2.489 -4.477 1.00 0.00 C ATOM 1183 CE2 PHE A 76 4.336 -0.341 -4.161 1.00 0.00 C ATOM 1184 CZ PHE A 76 5.343 -1.244 -3.881 1.00 0.00 C ATOM 0 H PHE A 76 2.363 -5.034 -5.963 1.00 0.00 H new ATOM 0 HA PHE A 76 0.585 -2.779 -5.250 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.637 -2.744 -7.485 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.674 -1.404 -6.895 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.317 -3.806 -5.813 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.536 0.023 -5.248 1.00 0.00 H new ATOM 0 HE1 PHE A 76 6.124 -3.196 -4.262 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.341 0.635 -3.698 1.00 0.00 H new ATOM 0 HZ PHE A 76 6.135 -0.976 -3.197 1.00 0.00 H new ATOM 1194 N ARG A 77 -0.433 -2.905 -7.753 1.00 0.00 N ATOM 1195 CA ARG A 77 -1.351 -3.275 -8.823 1.00 0.00 C ATOM 1196 C ARG A 77 -0.921 -2.651 -10.148 1.00 0.00 C ATOM 1197 O ARG A 77 -1.141 -3.224 -11.215 1.00 0.00 O ATOM 1198 CB ARG A 77 -2.775 -2.835 -8.478 1.00 0.00 C ATOM 1199 CG ARG A 77 -2.892 -1.354 -8.153 1.00 0.00 C ATOM 1200 CD ARG A 77 -2.663 -1.088 -6.674 1.00 0.00 C ATOM 1201 NE ARG A 77 -3.896 -1.205 -5.900 1.00 0.00 N ATOM 1202 CZ ARG A 77 -3.994 -0.864 -4.619 1.00 0.00 C ATOM 1203 NH1 ARG A 77 -2.939 -0.388 -3.973 1.00 0.00 N ATOM 1204 NH2 ARG A 77 -5.151 -0.999 -3.983 1.00 0.00 N ATOM 0 H ARG A 77 -0.385 -1.903 -7.566 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.329 -4.360 -8.928 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.431 -3.068 -9.316 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.129 -3.415 -7.626 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.166 -0.793 -8.741 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.880 -0.995 -8.440 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.925 -1.792 -6.289 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -2.248 -0.088 -6.545 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.727 -1.568 -6.368 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.048 -0.282 -4.459 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.018 -0.127 -2.990 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.965 -1.364 -4.477 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.226 -0.737 -3.000 1.00 0.00 H new ATOM 1218 N ARG A 78 -0.307 -1.475 -10.070 1.00 0.00 N ATOM 1219 CA ARG A 78 0.152 -0.773 -11.263 1.00 0.00 C ATOM 1220 C ARG A 78 1.650 -0.496 -11.188 1.00 0.00 C ATOM 1221 O ARG A 78 2.210 -0.344 -10.102 1.00 0.00 O ATOM 1222 CB ARG A 78 -0.613 0.541 -11.433 1.00 0.00 C ATOM 1223 CG ARG A 78 -2.100 0.353 -11.685 1.00 0.00 C ATOM 1224 CD ARG A 78 -2.833 1.685 -11.715 1.00 0.00 C ATOM 1225 NE ARG A 78 -2.672 2.370 -12.994 1.00 0.00 N ATOM 1226 CZ ARG A 78 -3.573 2.326 -13.969 1.00 0.00 C ATOM 1227 NH1 ARG A 78 -4.693 1.635 -13.811 1.00 0.00 N ATOM 1228 NH2 ARG A 78 -3.355 2.976 -15.106 1.00 0.00 N ATOM 0 H ARG A 78 -0.116 -0.988 -9.194 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.039 -1.411 -12.126 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.479 1.148 -10.538 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -0.180 1.099 -12.264 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.247 -0.166 -12.632 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.525 -0.280 -10.906 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.893 1.520 -11.523 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.460 2.322 -10.913 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.821 2.912 -13.147 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.865 1.135 -12.939 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.383 1.603 -14.562 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.495 3.510 -15.231 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.048 2.941 -15.854 1.00 0.00 H new ATOM 1242 N ARG A 79 2.294 -0.434 -12.349 1.00 0.00 N ATOM 1243 CA ARG A 79 3.728 -0.177 -12.414 1.00 0.00 C ATOM 1244 C ARG A 79 4.075 1.147 -11.740 1.00 0.00 C ATOM 1245 O ARG A 79 4.891 1.192 -10.821 1.00 0.00 O ATOM 1246 CB ARG A 79 4.198 -0.160 -13.870 1.00 0.00 C ATOM 1247 CG ARG A 79 5.703 -0.013 -14.022 1.00 0.00 C ATOM 1248 CD ARG A 79 6.372 -1.356 -14.270 1.00 0.00 C ATOM 1249 NE ARG A 79 6.801 -1.992 -13.027 1.00 0.00 N ATOM 1250 CZ ARG A 79 7.656 -3.008 -12.978 1.00 0.00 C ATOM 1251 NH1 ARG A 79 8.171 -3.499 -14.096 1.00 0.00 N ATOM 1252 NH2 ARG A 79 7.997 -3.533 -11.808 1.00 0.00 N ATOM 0 H ARG A 79 1.846 -0.558 -13.257 1.00 0.00 H new ATOM 0 HA ARG A 79 4.240 -0.979 -11.883 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.881 -1.082 -14.356 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.707 0.661 -14.392 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.922 0.662 -14.849 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.118 0.441 -13.122 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.679 -2.015 -14.794 1.00 0.00 H new ATOM 0 HD3 ARG A 79 7.234 -1.217 -14.922 1.00 0.00 H new ATOM 0 HE ARG A 79 6.424 -1.637 -12.148 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.911 -3.097 -14.997 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.827 -4.279 -14.056 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.603 -3.157 -10.946 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.653 -4.313 -11.771 1.00 0.00 H new ATOM 1266 N MET A 80 3.449 2.223 -12.205 1.00 0.00 N ATOM 1267 CA MET A 80 3.691 3.549 -11.647 1.00 0.00 C ATOM 1268 C MET A 80 3.673 3.508 -10.122 1.00 0.00 C ATOM 1269 O MET A 80 4.614 3.958 -9.469 1.00 0.00 O ATOM 1270 CB MET A 80 2.642 4.539 -12.155 1.00 0.00 C ATOM 1271 CG MET A 80 2.767 5.925 -11.542 1.00 0.00 C ATOM 1272 SD MET A 80 3.906 6.987 -12.450 1.00 0.00 S ATOM 1273 CE MET A 80 5.423 6.715 -11.538 1.00 0.00 C ATOM 0 H MET A 80 2.771 2.203 -12.966 1.00 0.00 H new ATOM 0 HA MET A 80 4.678 3.879 -11.972 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.726 4.621 -13.239 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.649 4.145 -11.942 1.00 0.00 H new ATOM 0 HG2 MET A 80 1.784 6.395 -11.513 1.00 0.00 H new ATOM 0 HG3 MET A 80 3.107 5.832 -10.511 1.00 0.00 H new ATOM 0 HE1 MET A 80 5.878 7.675 -11.295 1.00 0.00 H new ATOM 0 HE2 MET A 80 5.202 6.174 -10.618 1.00 0.00 H new ATOM 0 HE3 MET A 80 6.113 6.130 -12.146 1.00 0.00 H new ATOM 1283 N GLU A 81 2.596 2.966 -9.562 1.00 0.00 N ATOM 1284 CA GLU A 81 2.456 2.869 -8.114 1.00 0.00 C ATOM 1285 C GLU A 81 3.777 2.467 -7.466 1.00 0.00 C ATOM 1286 O GLU A 81 4.262 3.135 -6.551 1.00 0.00 O ATOM 1287 CB GLU A 81 1.368 1.855 -7.751 1.00 0.00 C ATOM 1288 CG GLU A 81 -0.041 2.346 -8.037 1.00 0.00 C ATOM 1289 CD GLU A 81 -0.452 3.495 -7.137 1.00 0.00 C ATOM 1290 OE1 GLU A 81 -0.061 3.490 -5.951 1.00 0.00 O ATOM 1291 OE2 GLU A 81 -1.165 4.400 -7.620 1.00 0.00 O ATOM 0 H GLU A 81 1.809 2.588 -10.089 1.00 0.00 H new ATOM 0 HA GLU A 81 2.169 3.850 -7.736 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.542 0.933 -8.306 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.450 1.610 -6.692 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.107 2.663 -9.078 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.742 1.521 -7.910 1.00 0.00 H new ATOM 1298 N LEU A 82 4.355 1.371 -7.945 1.00 0.00 N ATOM 1299 CA LEU A 82 5.621 0.878 -7.412 1.00 0.00 C ATOM 1300 C LEU A 82 6.698 1.956 -7.483 1.00 0.00 C ATOM 1301 O LEU A 82 7.503 2.105 -6.564 1.00 0.00 O ATOM 1302 CB LEU A 82 6.073 -0.362 -8.184 1.00 0.00 C ATOM 1303 CG LEU A 82 7.492 -0.854 -7.894 1.00 0.00 C ATOM 1304 CD1 LEU A 82 7.682 -1.084 -6.403 1.00 0.00 C ATOM 1305 CD2 LEU A 82 7.786 -2.127 -8.673 1.00 0.00 C ATOM 0 H LEU A 82 3.968 0.807 -8.701 1.00 0.00 H new ATOM 0 HA LEU A 82 5.468 0.612 -6.366 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.378 -1.173 -7.968 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.994 -0.150 -9.250 1.00 0.00 H new ATOM 0 HG LEU A 82 8.195 -0.085 -8.216 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.697 -1.434 -6.215 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.515 -0.150 -5.867 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.970 -1.833 -6.057 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.800 -2.462 -8.454 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.077 -2.903 -8.383 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.692 -1.930 -9.741 1.00 0.00 H new ATOM 1317 N ARG A 83 6.705 2.707 -8.580 1.00 0.00 N ATOM 1318 CA ARG A 83 7.683 3.772 -8.770 1.00 0.00 C ATOM 1319 C ARG A 83 7.537 4.842 -7.692 1.00 0.00 C ATOM 1320 O ARG A 83 8.530 5.365 -7.183 1.00 0.00 O ATOM 1321 CB ARG A 83 7.519 4.402 -10.155 1.00 0.00 C ATOM 1322 CG ARG A 83 7.512 3.389 -11.288 1.00 0.00 C ATOM 1323 CD ARG A 83 8.870 2.722 -11.447 1.00 0.00 C ATOM 1324 NE ARG A 83 9.055 2.171 -12.787 1.00 0.00 N ATOM 1325 CZ ARG A 83 10.214 1.700 -13.234 1.00 0.00 C ATOM 1326 NH1 ARG A 83 11.285 1.714 -12.452 1.00 0.00 N ATOM 1327 NH2 ARG A 83 10.304 1.215 -14.465 1.00 0.00 N ATOM 0 H ARG A 83 6.045 2.598 -9.350 1.00 0.00 H new ATOM 0 HA ARG A 83 8.679 3.336 -8.692 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.588 4.968 -10.179 1.00 0.00 H new ATOM 0 HB3 ARG A 83 8.329 5.113 -10.320 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.753 2.631 -11.095 1.00 0.00 H new ATOM 0 HG3 ARG A 83 7.238 3.885 -12.219 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.657 3.448 -11.242 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.971 1.925 -10.710 1.00 0.00 H new ATOM 0 HE ARG A 83 8.251 2.147 -13.414 1.00 0.00 H new ATOM 0 HH11 ARG A 83 11.220 2.087 -11.505 1.00 0.00 H new ATOM 0 HH12 ARG A 83 12.174 1.352 -12.798 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.483 1.203 -15.070 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.194 0.854 -14.807 1.00 0.00 H new ATOM 1341 N LEU A 84 6.295 5.164 -7.349 1.00 0.00 N ATOM 1342 CA LEU A 84 6.019 6.173 -6.332 1.00 0.00 C ATOM 1343 C LEU A 84 6.331 5.639 -4.938 1.00 0.00 C ATOM 1344 O LEU A 84 6.427 6.403 -3.977 1.00 0.00 O ATOM 1345 CB LEU A 84 4.556 6.613 -6.406 1.00 0.00 C ATOM 1346 CG LEU A 84 3.981 6.799 -7.811 1.00 0.00 C ATOM 1347 CD1 LEU A 84 2.520 7.213 -7.739 1.00 0.00 C ATOM 1348 CD2 LEU A 84 4.791 7.828 -8.586 1.00 0.00 C ATOM 0 H LEU A 84 5.463 4.741 -7.760 1.00 0.00 H new ATOM 0 HA LEU A 84 6.661 7.033 -6.524 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.949 5.875 -5.881 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.453 7.554 -5.865 1.00 0.00 H new ATOM 0 HG LEU A 84 4.042 5.846 -8.337 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.128 7.341 -8.748 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.948 6.442 -7.222 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.435 8.154 -7.195 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.368 7.948 -9.583 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.762 8.783 -8.062 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.824 7.491 -8.668 1.00 0.00 H new ATOM 1360 N HIS A 85 6.491 4.324 -4.835 1.00 0.00 N ATOM 1361 CA HIS A 85 6.796 3.688 -3.558 1.00 0.00 C ATOM 1362 C HIS A 85 8.304 3.564 -3.359 1.00 0.00 C ATOM 1363 O HIS A 85 8.819 3.819 -2.271 1.00 0.00 O ATOM 1364 CB HIS A 85 6.144 2.307 -3.484 1.00 0.00 C ATOM 1365 CG HIS A 85 6.771 1.403 -2.467 1.00 0.00 C ATOM 1366 ND1 HIS A 85 6.332 1.319 -1.162 1.00 0.00 N ATOM 1367 CD2 HIS A 85 7.808 0.539 -2.570 1.00 0.00 C ATOM 1368 CE1 HIS A 85 7.073 0.444 -0.506 1.00 0.00 C ATOM 1369 NE2 HIS A 85 7.976 -0.044 -1.338 1.00 0.00 N ATOM 0 H HIS A 85 6.415 3.678 -5.620 1.00 0.00 H new ATOM 0 HA HIS A 85 6.393 4.315 -2.762 1.00 0.00 H new ATOM 0 HB2 HIS A 85 5.086 2.426 -3.250 1.00 0.00 H new ATOM 0 HB3 HIS A 85 6.202 1.834 -4.464 1.00 0.00 H new ATOM 0 HD2 HIS A 85 8.394 0.344 -3.456 1.00 0.00 H new ATOM 0 HE1 HIS A 85 6.960 0.174 0.533 1.00 0.00 H new ATOM 0 HE2 HIS A 85 8.683 -0.741 -1.103 1.00 0.00 H new ATOM 1377 N MET A 86 9.005 3.169 -4.417 1.00 0.00 N ATOM 1378 CA MET A 86 10.453 3.012 -4.358 1.00 0.00 C ATOM 1379 C MET A 86 11.112 4.255 -3.768 1.00 0.00 C ATOM 1380 O MET A 86 12.095 4.160 -3.033 1.00 0.00 O ATOM 1381 CB MET A 86 11.015 2.737 -5.754 1.00 0.00 C ATOM 1382 CG MET A 86 10.472 1.466 -6.388 1.00 0.00 C ATOM 1383 SD MET A 86 11.562 0.050 -6.149 1.00 0.00 S ATOM 1384 CE MET A 86 11.713 0.037 -4.364 1.00 0.00 C ATOM 0 H MET A 86 8.594 2.952 -5.325 1.00 0.00 H new ATOM 0 HA MET A 86 10.675 2.163 -3.711 1.00 0.00 H new ATOM 0 HB2 MET A 86 10.786 3.583 -6.402 1.00 0.00 H new ATOM 0 HB3 MET A 86 12.101 2.667 -5.692 1.00 0.00 H new ATOM 0 HG2 MET A 86 9.494 1.242 -5.963 1.00 0.00 H new ATOM 0 HG3 MET A 86 10.326 1.631 -7.455 1.00 0.00 H new ATOM 0 HE1 MET A 86 12.110 -0.925 -4.039 1.00 0.00 H new ATOM 0 HE2 MET A 86 12.388 0.833 -4.050 1.00 0.00 H new ATOM 0 HE3 MET A 86 10.732 0.195 -3.915 1.00 0.00 H new ATOM 1394 N VAL A 87 10.564 5.421 -4.096 1.00 0.00 N ATOM 1395 CA VAL A 87 11.098 6.683 -3.597 1.00 0.00 C ATOM 1396 C VAL A 87 11.313 6.632 -2.089 1.00 0.00 C ATOM 1397 O VAL A 87 12.264 7.212 -1.567 1.00 0.00 O ATOM 1398 CB VAL A 87 10.161 7.860 -3.931 1.00 0.00 C ATOM 1399 CG1 VAL A 87 9.695 7.778 -5.377 1.00 0.00 C ATOM 1400 CG2 VAL A 87 8.974 7.882 -2.980 1.00 0.00 C ATOM 0 H VAL A 87 9.751 5.518 -4.705 1.00 0.00 H new ATOM 0 HA VAL A 87 12.056 6.838 -4.092 1.00 0.00 H new ATOM 0 HB VAL A 87 10.715 8.790 -3.805 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.034 8.617 -5.595 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.559 7.815 -6.040 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.157 6.843 -5.533 1.00 0.00 H new ATOM 0 HG21 VAL A 87 8.323 8.719 -3.230 1.00 0.00 H new ATOM 0 HG22 VAL A 87 8.417 6.949 -3.071 1.00 0.00 H new ATOM 0 HG23 VAL A 87 9.330 7.993 -1.956 1.00 0.00 H new ATOM 1410 N SER A 88 10.422 5.932 -1.393 1.00 0.00 N ATOM 1411 CA SER A 88 10.512 5.807 0.057 1.00 0.00 C ATOM 1412 C SER A 88 11.803 5.100 0.462 1.00 0.00 C ATOM 1413 O SER A 88 12.362 5.366 1.526 1.00 0.00 O ATOM 1414 CB SER A 88 9.305 5.039 0.600 1.00 0.00 C ATOM 1415 OG SER A 88 9.288 5.052 2.017 1.00 0.00 O ATOM 0 H SER A 88 9.630 5.443 -1.810 1.00 0.00 H new ATOM 0 HA SER A 88 10.518 6.810 0.484 1.00 0.00 H new ATOM 0 HB2 SER A 88 8.386 5.483 0.218 1.00 0.00 H new ATOM 0 HB3 SER A 88 9.334 4.010 0.243 1.00 0.00 H new ATOM 0 HG SER A 88 8.507 4.556 2.339 1.00 0.00 H new ATOM 1421 N HIS A 89 12.270 4.198 -0.396 1.00 0.00 N ATOM 1422 CA HIS A 89 13.495 3.453 -0.128 1.00 0.00 C ATOM 1423 C HIS A 89 14.725 4.314 -0.399 1.00 0.00 C ATOM 1424 O HIS A 89 15.754 4.172 0.263 1.00 0.00 O ATOM 1425 CB HIS A 89 13.545 2.188 -0.986 1.00 0.00 C ATOM 1426 CG HIS A 89 12.678 1.080 -0.471 1.00 0.00 C ATOM 1427 ND1 HIS A 89 12.804 0.554 0.798 1.00 0.00 N ATOM 1428 CD2 HIS A 89 11.668 0.399 -1.060 1.00 0.00 C ATOM 1429 CE1 HIS A 89 11.910 -0.403 0.966 1.00 0.00 C ATOM 1430 NE2 HIS A 89 11.207 -0.517 -0.146 1.00 0.00 N ATOM 0 H HIS A 89 11.819 3.966 -1.281 1.00 0.00 H new ATOM 0 HA HIS A 89 13.496 3.170 0.925 1.00 0.00 H new ATOM 0 HB2 HIS A 89 13.238 2.436 -2.002 1.00 0.00 H new ATOM 0 HB3 HIS A 89 14.575 1.837 -1.041 1.00 0.00 H new ATOM 0 HD2 HIS A 89 11.294 0.548 -2.062 1.00 0.00 H new ATOM 0 HE1 HIS A 89 11.776 -0.993 1.861 1.00 0.00 H new ATOM 0 HE2 HIS A 89 10.446 -1.178 -0.301 1.00 0.00 H new ATOM 1438 N THR A 90 14.613 5.207 -1.378 1.00 0.00 N ATOM 1439 CA THR A 90 15.716 6.089 -1.737 1.00 0.00 C ATOM 1440 C THR A 90 15.447 7.519 -1.282 1.00 0.00 C ATOM 1441 O THR A 90 15.993 8.471 -1.838 1.00 0.00 O ATOM 1442 CB THR A 90 15.966 6.085 -3.257 1.00 0.00 C ATOM 1443 OG1 THR A 90 17.152 6.827 -3.561 1.00 0.00 O ATOM 1444 CG2 THR A 90 14.782 6.683 -4.002 1.00 0.00 C ATOM 0 H THR A 90 13.769 5.338 -1.936 1.00 0.00 H new ATOM 0 HA THR A 90 16.603 5.709 -1.229 1.00 0.00 H new ATOM 0 HB THR A 90 16.093 5.051 -3.579 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.174 7.644 -3.021 1.00 0.00 H new ATOM 0 HG21 THR A 90 14.982 6.669 -5.073 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.887 6.097 -3.792 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.628 7.711 -3.675 1.00 0.00 H new ATOM 1452 N GLY A 91 14.601 7.663 -0.266 1.00 0.00 N ATOM 1453 CA GLY A 91 14.275 8.981 0.247 1.00 0.00 C ATOM 1454 C GLY A 91 13.239 9.693 -0.600 1.00 0.00 C ATOM 1455 O GLY A 91 12.152 10.013 -0.122 1.00 0.00 O ATOM 0 H GLY A 91 14.136 6.891 0.211 1.00 0.00 H new ATOM 0 HA2 GLY A 91 13.904 8.889 1.268 1.00 0.00 H new ATOM 0 HA3 GLY A 91 15.181 9.585 0.291 1.00 0.00 H new ATOM 1505 N TYR A 95 14.481 13.262 -9.701 1.00 0.00 N ATOM 1506 CA TYR A 95 14.165 14.546 -10.317 1.00 0.00 C ATOM 1507 C TYR A 95 12.974 15.203 -9.627 1.00 0.00 C ATOM 1508 O TYR A 95 12.080 14.523 -9.122 1.00 0.00 O ATOM 1509 CB TYR A 95 13.868 14.361 -11.806 1.00 0.00 C ATOM 1510 CG TYR A 95 14.985 13.682 -12.566 1.00 0.00 C ATOM 1511 CD1 TYR A 95 16.059 14.411 -13.061 1.00 0.00 C ATOM 1512 CD2 TYR A 95 14.966 12.311 -12.791 1.00 0.00 C ATOM 1513 CE1 TYR A 95 17.081 13.796 -13.757 1.00 0.00 C ATOM 1514 CE2 TYR A 95 15.985 11.686 -13.484 1.00 0.00 C ATOM 1515 CZ TYR A 95 17.040 12.433 -13.965 1.00 0.00 C ATOM 1516 OH TYR A 95 18.056 11.815 -14.658 1.00 0.00 O ATOM 0 HA TYR A 95 15.031 15.198 -10.204 1.00 0.00 H new ATOM 0 HB2 TYR A 95 12.956 13.774 -11.916 1.00 0.00 H new ATOM 0 HB3 TYR A 95 13.676 15.336 -12.254 1.00 0.00 H new ATOM 0 HD1 TYR A 95 16.095 15.478 -12.899 1.00 0.00 H new ATOM 0 HD2 TYR A 95 14.140 11.724 -12.418 1.00 0.00 H new ATOM 0 HE1 TYR A 95 17.907 14.379 -14.136 1.00 0.00 H new ATOM 0 HE2 TYR A 95 15.956 10.619 -13.648 1.00 0.00 H new ATOM 0 HH TYR A 95 17.875 10.854 -14.716 1.00 0.00 H new ATOM 1526 N LYS A 96 12.967 16.531 -9.610 1.00 0.00 N ATOM 1527 CA LYS A 96 11.886 17.284 -8.985 1.00 0.00 C ATOM 1528 C LYS A 96 11.733 18.656 -9.632 1.00 0.00 C ATOM 1529 O LYS A 96 12.716 19.271 -10.049 1.00 0.00 O ATOM 1530 CB LYS A 96 12.148 17.441 -7.486 1.00 0.00 C ATOM 1531 CG LYS A 96 11.518 16.348 -6.640 1.00 0.00 C ATOM 1532 CD LYS A 96 12.286 16.132 -5.346 1.00 0.00 C ATOM 1533 CE LYS A 96 13.440 15.161 -5.539 1.00 0.00 C ATOM 1534 NZ LYS A 96 14.476 15.315 -4.480 1.00 0.00 N ATOM 0 H LYS A 96 13.699 17.109 -10.023 1.00 0.00 H new ATOM 0 HA LYS A 96 10.959 16.729 -9.130 1.00 0.00 H new ATOM 0 HB2 LYS A 96 13.224 17.448 -7.313 1.00 0.00 H new ATOM 0 HB3 LYS A 96 11.766 18.408 -7.158 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.486 16.613 -6.412 1.00 0.00 H new ATOM 0 HG3 LYS A 96 11.490 15.418 -7.207 1.00 0.00 H new ATOM 0 HD2 LYS A 96 12.669 17.087 -4.985 1.00 0.00 H new ATOM 0 HD3 LYS A 96 11.611 15.749 -4.581 1.00 0.00 H new ATOM 0 HE2 LYS A 96 13.061 14.139 -5.530 1.00 0.00 H new ATOM 0 HE3 LYS A 96 13.893 15.324 -6.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 15.246 14.636 -4.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 14.856 16.283 -4.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 14.050 15.134 -3.549 1.00 0.00 H new ATOM 1548 N CYS A 97 10.496 19.133 -9.713 1.00 0.00 N ATOM 1549 CA CYS A 97 10.214 20.434 -10.309 1.00 0.00 C ATOM 1550 C CYS A 97 10.516 21.560 -9.324 1.00 0.00 C ATOM 1551 O CYS A 97 11.010 21.319 -8.222 1.00 0.00 O ATOM 1552 CB CYS A 97 8.752 20.509 -10.753 1.00 0.00 C ATOM 1553 SG CYS A 97 8.478 21.524 -12.240 1.00 0.00 S ATOM 0 H CYS A 97 9.672 18.638 -9.373 1.00 0.00 H new ATOM 0 HA CYS A 97 10.858 20.554 -11.180 1.00 0.00 H new ATOM 0 HB2 CYS A 97 8.389 19.499 -10.944 1.00 0.00 H new ATOM 0 HB3 CYS A 97 8.155 20.913 -9.935 1.00 0.00 H new ATOM 0 HG CYS A 97 9.531 21.472 -13.001 1.00 0.00 H new ATOM 1558 N SER A 98 10.215 22.789 -9.729 1.00 0.00 N ATOM 1559 CA SER A 98 10.458 23.953 -8.885 1.00 0.00 C ATOM 1560 C SER A 98 9.169 24.738 -8.659 1.00 0.00 C ATOM 1561 O SER A 98 8.872 25.156 -7.540 1.00 0.00 O ATOM 1562 CB SER A 98 11.516 24.858 -9.519 1.00 0.00 C ATOM 1563 OG SER A 98 11.908 25.887 -8.627 1.00 0.00 O ATOM 0 H SER A 98 9.802 23.005 -10.636 1.00 0.00 H new ATOM 0 HA SER A 98 10.823 23.602 -7.920 1.00 0.00 H new ATOM 0 HB2 SER A 98 12.386 24.264 -9.799 1.00 0.00 H new ATOM 0 HB3 SER A 98 11.121 25.297 -10.435 1.00 0.00 H new ATOM 0 HG SER A 98 12.586 26.451 -9.055 1.00 0.00 H new ATOM 1569 N SER A 99 8.408 24.935 -9.731 1.00 0.00 N ATOM 1570 CA SER A 99 7.153 25.673 -9.652 1.00 0.00 C ATOM 1571 C SER A 99 6.097 24.870 -8.899 1.00 0.00 C ATOM 1572 O SER A 99 5.419 25.391 -8.013 1.00 0.00 O ATOM 1573 CB SER A 99 6.647 26.012 -11.056 1.00 0.00 C ATOM 1574 OG SER A 99 5.864 27.193 -11.044 1.00 0.00 O ATOM 0 H SER A 99 8.639 24.594 -10.664 1.00 0.00 H new ATOM 0 HA SER A 99 7.338 26.598 -9.107 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.494 26.140 -11.730 1.00 0.00 H new ATOM 0 HB3 SER A 99 6.054 25.183 -11.443 1.00 0.00 H new ATOM 0 HG SER A 99 5.554 27.389 -11.953 1.00 0.00 H new ATOM 1580 N CYS A 100 5.963 23.598 -9.258 1.00 0.00 N ATOM 1581 CA CYS A 100 4.990 22.721 -8.618 1.00 0.00 C ATOM 1582 C CYS A 100 5.674 21.774 -7.636 1.00 0.00 C ATOM 1583 O CYS A 100 5.027 21.194 -6.764 1.00 0.00 O ATOM 1584 CB CYS A 100 4.227 21.915 -9.672 1.00 0.00 C ATOM 1585 SG CYS A 100 5.236 20.659 -10.522 1.00 0.00 S ATOM 0 H CYS A 100 6.516 23.151 -9.989 1.00 0.00 H new ATOM 0 HA CYS A 100 4.286 23.343 -8.066 1.00 0.00 H new ATOM 0 HB2 CYS A 100 3.380 21.423 -9.194 1.00 0.00 H new ATOM 0 HB3 CYS A 100 3.820 22.602 -10.414 1.00 0.00 H new ATOM 0 HG CYS A 100 6.238 21.236 -11.116 1.00 0.00 H new ATOM 1590 N SER A 101 6.986 21.624 -7.784 1.00 0.00 N ATOM 1591 CA SER A 101 7.758 20.745 -6.913 1.00 0.00 C ATOM 1592 C SER A 101 7.371 19.286 -7.132 1.00 0.00 C ATOM 1593 O SER A 101 7.325 18.497 -6.189 1.00 0.00 O ATOM 1594 CB SER A 101 7.542 21.127 -5.447 1.00 0.00 C ATOM 1595 OG SER A 101 7.823 22.499 -5.231 1.00 0.00 O ATOM 0 H SER A 101 7.537 22.100 -8.499 1.00 0.00 H new ATOM 0 HA SER A 101 8.813 20.864 -7.161 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.512 20.914 -5.160 1.00 0.00 H new ATOM 0 HB3 SER A 101 8.183 20.517 -4.811 1.00 0.00 H new ATOM 0 HG SER A 101 7.676 22.718 -4.287 1.00 0.00 H new ATOM 1601 N GLN A 102 7.094 18.935 -8.384 1.00 0.00 N ATOM 1602 CA GLN A 102 6.710 17.571 -8.728 1.00 0.00 C ATOM 1603 C GLN A 102 7.884 16.614 -8.548 1.00 0.00 C ATOM 1604 O GLN A 102 8.945 17.004 -8.061 1.00 0.00 O ATOM 1605 CB GLN A 102 6.203 17.510 -10.169 1.00 0.00 C ATOM 1606 CG GLN A 102 4.703 17.725 -10.296 1.00 0.00 C ATOM 1607 CD GLN A 102 3.922 16.426 -10.253 1.00 0.00 C ATOM 1608 OE1 GLN A 102 3.990 15.679 -9.276 1.00 0.00 O ATOM 1609 NE2 GLN A 102 3.173 16.150 -11.314 1.00 0.00 N ATOM 0 H GLN A 102 7.128 19.576 -9.177 1.00 0.00 H new ATOM 0 HA GLN A 102 5.909 17.265 -8.056 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.721 18.265 -10.760 1.00 0.00 H new ATOM 0 HB3 GLN A 102 6.460 16.540 -10.595 1.00 0.00 H new ATOM 0 HG2 GLN A 102 4.363 18.376 -9.490 1.00 0.00 H new ATOM 0 HG3 GLN A 102 4.492 18.241 -11.233 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.146 16.797 -12.102 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.624 15.291 -11.341 1.00 0.00 H new ATOM 1618 N GLN A 103 7.685 15.361 -8.944 1.00 0.00 N ATOM 1619 CA GLN A 103 8.727 14.348 -8.825 1.00 0.00 C ATOM 1620 C GLN A 103 8.716 13.412 -10.029 1.00 0.00 C ATOM 1621 O GLN A 103 7.655 13.036 -10.527 1.00 0.00 O ATOM 1622 CB GLN A 103 8.542 13.544 -7.537 1.00 0.00 C ATOM 1623 CG GLN A 103 8.458 14.407 -6.288 1.00 0.00 C ATOM 1624 CD GLN A 103 8.330 13.587 -5.020 1.00 0.00 C ATOM 1625 OE1 GLN A 103 7.390 13.764 -4.244 1.00 0.00 O ATOM 1626 NE2 GLN A 103 9.277 12.681 -4.802 1.00 0.00 N ATOM 0 H GLN A 103 6.812 15.023 -9.350 1.00 0.00 H new ATOM 0 HA GLN A 103 9.691 14.856 -8.792 1.00 0.00 H new ATOM 0 HB2 GLN A 103 7.633 12.947 -7.618 1.00 0.00 H new ATOM 0 HB3 GLN A 103 9.373 12.846 -7.431 1.00 0.00 H new ATOM 0 HG2 GLN A 103 9.348 15.033 -6.223 1.00 0.00 H new ATOM 0 HG3 GLN A 103 7.602 15.077 -6.371 1.00 0.00 H new ATOM 0 HE21 GLN A 103 10.038 12.568 -5.471 1.00 0.00 H new ATOM 0 HE22 GLN A 103 9.243 12.099 -3.965 1.00 0.00 H new ATOM 1635 N PHE A 104 9.904 13.039 -10.493 1.00 0.00 N ATOM 1636 CA PHE A 104 10.032 12.148 -11.640 1.00 0.00 C ATOM 1637 C PHE A 104 11.202 11.186 -11.455 1.00 0.00 C ATOM 1638 O PHE A 104 12.088 11.422 -10.634 1.00 0.00 O ATOM 1639 CB PHE A 104 10.222 12.958 -12.924 1.00 0.00 C ATOM 1640 CG PHE A 104 9.249 14.094 -13.066 1.00 0.00 C ATOM 1641 CD1 PHE A 104 9.369 15.228 -12.278 1.00 0.00 C ATOM 1642 CD2 PHE A 104 8.216 14.029 -13.987 1.00 0.00 C ATOM 1643 CE1 PHE A 104 8.475 16.274 -12.405 1.00 0.00 C ATOM 1644 CE2 PHE A 104 7.319 15.072 -14.119 1.00 0.00 C ATOM 1645 CZ PHE A 104 7.450 16.197 -13.328 1.00 0.00 C ATOM 0 H PHE A 104 10.792 13.340 -10.092 1.00 0.00 H new ATOM 0 HA PHE A 104 9.114 11.565 -11.718 1.00 0.00 H new ATOM 0 HB2 PHE A 104 11.237 13.355 -12.947 1.00 0.00 H new ATOM 0 HB3 PHE A 104 10.120 12.293 -13.782 1.00 0.00 H new ATOM 0 HD1 PHE A 104 10.170 15.295 -11.557 1.00 0.00 H new ATOM 0 HD2 PHE A 104 8.110 13.153 -14.609 1.00 0.00 H new ATOM 0 HE1 PHE A 104 8.578 17.151 -11.783 1.00 0.00 H new ATOM 0 HE2 PHE A 104 6.517 15.008 -14.839 1.00 0.00 H new ATOM 0 HZ PHE A 104 6.752 17.015 -13.431 1.00 0.00 H new ATOM 1655 N MET A 105 11.197 10.102 -12.223 1.00 0.00 N ATOM 1656 CA MET A 105 12.258 9.105 -12.144 1.00 0.00 C ATOM 1657 C MET A 105 13.318 9.354 -13.212 1.00 0.00 C ATOM 1658 O MET A 105 14.484 9.001 -13.034 1.00 0.00 O ATOM 1659 CB MET A 105 11.678 7.698 -12.303 1.00 0.00 C ATOM 1660 CG MET A 105 11.234 7.072 -10.991 1.00 0.00 C ATOM 1661 SD MET A 105 12.561 7.003 -9.771 1.00 0.00 S ATOM 1662 CE MET A 105 11.632 7.182 -8.251 1.00 0.00 C ATOM 0 H MET A 105 10.470 9.891 -12.907 1.00 0.00 H new ATOM 0 HA MET A 105 12.728 9.188 -11.164 1.00 0.00 H new ATOM 0 HB2 MET A 105 10.827 7.739 -12.983 1.00 0.00 H new ATOM 0 HB3 MET A 105 12.426 7.056 -12.768 1.00 0.00 H new ATOM 0 HG2 MET A 105 10.400 7.644 -10.584 1.00 0.00 H new ATOM 0 HG3 MET A 105 10.866 6.063 -11.180 1.00 0.00 H new ATOM 0 HE1 MET A 105 12.315 7.159 -7.402 1.00 0.00 H new ATOM 0 HE2 MET A 105 11.098 8.132 -8.261 1.00 0.00 H new ATOM 0 HE3 MET A 105 10.917 6.364 -8.163 1.00 0.00 H new ATOM 1672 N GLN A 106 12.906 9.962 -14.319 1.00 0.00 N ATOM 1673 CA GLN A 106 13.821 10.256 -15.415 1.00 0.00 C ATOM 1674 C GLN A 106 13.939 11.760 -15.638 1.00 0.00 C ATOM 1675 O GLN A 106 13.029 12.521 -15.306 1.00 0.00 O ATOM 1676 CB GLN A 106 13.348 9.574 -16.700 1.00 0.00 C ATOM 1677 CG GLN A 106 12.960 8.117 -16.508 1.00 0.00 C ATOM 1678 CD GLN A 106 13.209 7.278 -17.746 1.00 0.00 C ATOM 1679 OE1 GLN A 106 13.399 7.809 -18.841 1.00 0.00 O ATOM 1680 NE2 GLN A 106 13.209 5.961 -17.579 1.00 0.00 N ATOM 0 H GLN A 106 11.944 10.261 -14.481 1.00 0.00 H new ATOM 0 HA GLN A 106 14.804 9.869 -15.147 1.00 0.00 H new ATOM 0 HB2 GLN A 106 12.492 10.120 -17.097 1.00 0.00 H new ATOM 0 HB3 GLN A 106 14.140 9.635 -17.447 1.00 0.00 H new ATOM 0 HG2 GLN A 106 13.524 7.702 -15.673 1.00 0.00 H new ATOM 0 HG3 GLN A 106 11.905 8.058 -16.240 1.00 0.00 H new ATOM 0 HE21 GLN A 106 13.047 5.564 -16.653 1.00 0.00 H new ATOM 0 HE22 GLN A 106 13.371 5.346 -18.376 1.00 0.00 H new ATOM 1689 N LYS A 107 15.065 12.184 -16.201 1.00 0.00 N ATOM 1690 CA LYS A 107 15.302 13.597 -16.469 1.00 0.00 C ATOM 1691 C LYS A 107 14.365 14.109 -17.558 1.00 0.00 C ATOM 1692 O LYS A 107 13.690 15.124 -17.384 1.00 0.00 O ATOM 1693 CB LYS A 107 16.757 13.821 -16.887 1.00 0.00 C ATOM 1694 CG LYS A 107 17.151 15.286 -16.961 1.00 0.00 C ATOM 1695 CD LYS A 107 18.618 15.452 -17.320 1.00 0.00 C ATOM 1696 CE LYS A 107 19.066 16.899 -17.176 1.00 0.00 C ATOM 1697 NZ LYS A 107 20.540 17.041 -17.335 1.00 0.00 N ATOM 0 H LYS A 107 15.829 11.568 -16.481 1.00 0.00 H new ATOM 0 HA LYS A 107 15.104 14.153 -15.553 1.00 0.00 H new ATOM 0 HB2 LYS A 107 17.412 13.313 -16.179 1.00 0.00 H new ATOM 0 HB3 LYS A 107 16.921 13.360 -17.861 1.00 0.00 H new ATOM 0 HG2 LYS A 107 16.534 15.792 -17.704 1.00 0.00 H new ATOM 0 HG3 LYS A 107 16.954 15.766 -16.002 1.00 0.00 H new ATOM 0 HD2 LYS A 107 19.226 14.816 -16.676 1.00 0.00 H new ATOM 0 HD3 LYS A 107 18.783 15.119 -18.345 1.00 0.00 H new ATOM 0 HE2 LYS A 107 18.559 17.512 -17.921 1.00 0.00 H new ATOM 0 HE3 LYS A 107 18.768 17.276 -16.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 20.806 18.041 -17.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 21.024 16.476 -16.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 20.821 16.705 -18.278 1.00 0.00 H new ATOM 1711 N LYS A 108 14.327 13.400 -18.681 1.00 0.00 N ATOM 1712 CA LYS A 108 13.470 13.781 -19.798 1.00 0.00 C ATOM 1713 C LYS A 108 12.019 13.921 -19.348 1.00 0.00 C ATOM 1714 O LYS A 108 11.306 14.820 -19.792 1.00 0.00 O ATOM 1715 CB LYS A 108 13.569 12.744 -20.919 1.00 0.00 C ATOM 1716 CG LYS A 108 12.959 11.400 -20.561 1.00 0.00 C ATOM 1717 CD LYS A 108 13.102 10.402 -21.698 1.00 0.00 C ATOM 1718 CE LYS A 108 14.527 9.879 -21.804 1.00 0.00 C ATOM 1719 NZ LYS A 108 15.401 10.805 -22.576 1.00 0.00 N ATOM 0 H LYS A 108 14.880 12.558 -18.842 1.00 0.00 H new ATOM 0 HA LYS A 108 13.811 14.746 -20.172 1.00 0.00 H new ATOM 0 HB2 LYS A 108 13.072 13.134 -21.808 1.00 0.00 H new ATOM 0 HB3 LYS A 108 14.618 12.600 -21.177 1.00 0.00 H new ATOM 0 HG2 LYS A 108 13.443 11.006 -19.667 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.904 11.531 -20.321 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.418 9.568 -21.540 1.00 0.00 H new ATOM 0 HD3 LYS A 108 12.816 10.875 -22.637 1.00 0.00 H new ATOM 0 HE2 LYS A 108 14.938 9.740 -20.804 1.00 0.00 H new ATOM 0 HE3 LYS A 108 14.520 8.901 -22.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 15.913 10.271 -23.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 14.817 11.538 -23.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 16.084 11.254 -21.933 1.00 0.00 H new ATOM 1733 N ASP A 109 11.590 13.027 -18.464 1.00 0.00 N ATOM 1734 CA ASP A 109 10.225 13.053 -17.951 1.00 0.00 C ATOM 1735 C ASP A 109 9.902 14.410 -17.333 1.00 0.00 C ATOM 1736 O ASP A 109 8.791 14.921 -17.476 1.00 0.00 O ATOM 1737 CB ASP A 109 10.025 11.946 -16.915 1.00 0.00 C ATOM 1738 CG ASP A 109 8.602 11.424 -16.893 1.00 0.00 C ATOM 1739 OD1 ASP A 109 7.685 12.216 -16.588 1.00 0.00 O ATOM 1740 OD2 ASP A 109 8.405 10.225 -17.178 1.00 0.00 O ATOM 0 H ASP A 109 12.168 12.275 -18.088 1.00 0.00 H new ATOM 0 HA ASP A 109 9.546 12.884 -18.787 1.00 0.00 H new ATOM 0 HB2 ASP A 109 10.707 11.124 -17.130 1.00 0.00 H new ATOM 0 HB3 ASP A 109 10.285 12.326 -15.927 1.00 0.00 H new ATOM 1745 N LEU A 110 10.881 14.989 -16.645 1.00 0.00 N ATOM 1746 CA LEU A 110 10.701 16.286 -16.004 1.00 0.00 C ATOM 1747 C LEU A 110 10.738 17.412 -17.032 1.00 0.00 C ATOM 1748 O LEU A 110 9.834 18.245 -17.087 1.00 0.00 O ATOM 1749 CB LEU A 110 11.784 16.509 -14.947 1.00 0.00 C ATOM 1750 CG LEU A 110 11.947 17.944 -14.444 1.00 0.00 C ATOM 1751 CD1 LEU A 110 10.675 18.415 -13.755 1.00 0.00 C ATOM 1752 CD2 LEU A 110 13.136 18.047 -13.501 1.00 0.00 C ATOM 0 H LEU A 110 11.807 14.580 -16.517 1.00 0.00 H new ATOM 0 HA LEU A 110 9.724 16.292 -15.521 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.567 15.868 -14.092 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.738 16.179 -15.358 1.00 0.00 H new ATOM 0 HG LEU A 110 12.133 18.591 -15.302 1.00 0.00 H new ATOM 0 HD11 LEU A 110 10.809 19.438 -13.403 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.845 18.380 -14.460 1.00 0.00 H new ATOM 0 HD13 LEU A 110 10.459 17.765 -12.907 1.00 0.00 H new ATOM 0 HD21 LEU A 110 13.237 19.075 -13.153 1.00 0.00 H new ATOM 0 HD22 LEU A 110 12.981 17.388 -12.646 1.00 0.00 H new ATOM 0 HD23 LEU A 110 14.044 17.751 -14.027 1.00 0.00 H new ATOM 1764 N GLN A 111 11.789 17.429 -17.845 1.00 0.00 N ATOM 1765 CA GLN A 111 11.943 18.452 -18.873 1.00 0.00 C ATOM 1766 C GLN A 111 10.656 18.614 -19.676 1.00 0.00 C ATOM 1767 O GLN A 111 10.164 19.727 -19.860 1.00 0.00 O ATOM 1768 CB GLN A 111 13.100 18.096 -19.808 1.00 0.00 C ATOM 1769 CG GLN A 111 14.455 18.080 -19.120 1.00 0.00 C ATOM 1770 CD GLN A 111 15.590 18.449 -20.056 1.00 0.00 C ATOM 1771 OE1 GLN A 111 15.607 19.538 -20.629 1.00 0.00 O ATOM 1772 NE2 GLN A 111 16.545 17.540 -20.215 1.00 0.00 N ATOM 0 H GLN A 111 12.546 16.746 -17.812 1.00 0.00 H new ATOM 0 HA GLN A 111 12.163 19.398 -18.379 1.00 0.00 H new ATOM 0 HB2 GLN A 111 12.913 17.116 -20.247 1.00 0.00 H new ATOM 0 HB3 GLN A 111 13.127 18.813 -20.629 1.00 0.00 H new ATOM 0 HG2 GLN A 111 14.440 18.776 -18.281 1.00 0.00 H new ATOM 0 HG3 GLN A 111 14.637 17.087 -18.708 1.00 0.00 H new ATOM 0 HE21 GLN A 111 16.490 16.650 -19.720 1.00 0.00 H new ATOM 0 HE22 GLN A 111 17.334 17.732 -20.833 1.00 0.00 H new ATOM 1781 N SER A 112 10.117 17.497 -20.153 1.00 0.00 N ATOM 1782 CA SER A 112 8.890 17.516 -20.940 1.00 0.00 C ATOM 1783 C SER A 112 7.720 18.036 -20.110 1.00 0.00 C ATOM 1784 O SER A 112 6.886 18.797 -20.601 1.00 0.00 O ATOM 1785 CB SER A 112 8.574 16.114 -21.465 1.00 0.00 C ATOM 1786 OG SER A 112 7.845 16.176 -22.679 1.00 0.00 O ATOM 0 H SER A 112 10.511 16.567 -20.008 1.00 0.00 H new ATOM 0 HA SER A 112 9.040 18.188 -21.785 1.00 0.00 H new ATOM 0 HB2 SER A 112 9.502 15.563 -21.622 1.00 0.00 H new ATOM 0 HB3 SER A 112 7.999 15.564 -20.720 1.00 0.00 H new ATOM 0 HG SER A 112 7.657 15.267 -22.995 1.00 0.00 H new ATOM 1792 N HIS A 113 7.666 17.619 -18.849 1.00 0.00 N ATOM 1793 CA HIS A 113 6.599 18.043 -17.949 1.00 0.00 C ATOM 1794 C HIS A 113 6.591 19.561 -17.793 1.00 0.00 C ATOM 1795 O HIS A 113 5.530 20.185 -17.755 1.00 0.00 O ATOM 1796 CB HIS A 113 6.763 17.379 -16.581 1.00 0.00 C ATOM 1797 CG HIS A 113 6.263 18.217 -15.445 1.00 0.00 C ATOM 1798 ND1 HIS A 113 6.901 19.122 -14.665 1.00 0.00 N flip ATOM 1799 CD2 HIS A 113 4.961 18.175 -14.994 1.00 0.00 C flip ATOM 1800 CE1 HIS A 113 5.981 19.606 -13.768 1.00 0.00 C flip ATOM 1801 NE2 HIS A 113 4.818 19.019 -13.988 1.00 0.00 N flip ATOM 0 H HIS A 113 8.348 16.988 -18.427 1.00 0.00 H new ATOM 0 HA HIS A 113 5.648 17.735 -18.383 1.00 0.00 H new ATOM 0 HB2 HIS A 113 6.231 16.428 -16.582 1.00 0.00 H new ATOM 0 HB3 HIS A 113 7.817 17.154 -16.419 1.00 0.00 H new ATOM 0 HD2 HIS A 113 4.180 17.550 -15.400 1.00 0.00 H new ATOM 0 HE1 HIS A 113 6.176 20.346 -13.006 1.00 0.00 H new ATOM 0 HE2 HIS A 113 3.956 19.189 -13.469 1.00 0.00 H new ATOM 1809 N MET A 114 7.780 20.148 -17.702 1.00 0.00 N ATOM 1810 CA MET A 114 7.908 21.593 -17.550 1.00 0.00 C ATOM 1811 C MET A 114 7.688 22.301 -18.883 1.00 0.00 C ATOM 1812 O MET A 114 7.235 23.445 -18.921 1.00 0.00 O ATOM 1813 CB MET A 114 9.288 21.948 -16.993 1.00 0.00 C ATOM 1814 CG MET A 114 9.589 21.293 -15.654 1.00 0.00 C ATOM 1815 SD MET A 114 10.866 22.165 -14.726 1.00 0.00 S ATOM 1816 CE MET A 114 9.973 23.633 -14.219 1.00 0.00 C ATOM 0 H MET A 114 8.668 19.646 -17.731 1.00 0.00 H new ATOM 0 HA MET A 114 7.144 21.929 -16.849 1.00 0.00 H new ATOM 0 HB2 MET A 114 10.050 21.650 -17.714 1.00 0.00 H new ATOM 0 HB3 MET A 114 9.359 23.030 -16.883 1.00 0.00 H new ATOM 0 HG2 MET A 114 8.676 21.254 -15.060 1.00 0.00 H new ATOM 0 HG3 MET A 114 9.905 20.263 -15.821 1.00 0.00 H new ATOM 0 HE1 MET A 114 10.334 24.492 -14.784 1.00 0.00 H new ATOM 0 HE2 MET A 114 8.909 23.495 -14.409 1.00 0.00 H new ATOM 0 HE3 MET A 114 10.132 23.806 -13.155 1.00 0.00 H new ATOM 1826 N ILE A 115 8.012 21.614 -19.973 1.00 0.00 N ATOM 1827 CA ILE A 115 7.848 22.178 -21.307 1.00 0.00 C ATOM 1828 C ILE A 115 6.390 22.128 -21.750 1.00 0.00 C ATOM 1829 O ILE A 115 5.941 22.957 -22.543 1.00 0.00 O ATOM 1830 CB ILE A 115 8.713 21.436 -22.343 1.00 0.00 C ATOM 1831 CG1 ILE A 115 10.199 21.627 -22.030 1.00 0.00 C ATOM 1832 CG2 ILE A 115 8.395 21.925 -23.748 1.00 0.00 C ATOM 1833 CD1 ILE A 115 11.063 20.464 -22.465 1.00 0.00 C ATOM 0 H ILE A 115 8.389 20.666 -19.959 1.00 0.00 H new ATOM 0 HA ILE A 115 8.173 23.217 -21.252 1.00 0.00 H new ATOM 0 HB ILE A 115 8.483 20.372 -22.290 1.00 0.00 H new ATOM 0 HG12 ILE A 115 10.552 22.534 -22.521 1.00 0.00 H new ATOM 0 HG13 ILE A 115 10.320 21.777 -20.957 1.00 0.00 H new ATOM 0 HG21 ILE A 115 9.015 21.391 -24.468 1.00 0.00 H new ATOM 0 HG22 ILE A 115 7.343 21.742 -23.968 1.00 0.00 H new ATOM 0 HG23 ILE A 115 8.599 22.994 -23.816 1.00 0.00 H new ATOM 0 HD11 ILE A 115 12.103 20.669 -22.212 1.00 0.00 H new ATOM 0 HD12 ILE A 115 10.737 19.558 -21.955 1.00 0.00 H new ATOM 0 HD13 ILE A 115 10.972 20.326 -23.542 1.00 0.00 H new ATOM 1845 N LYS A 116 5.653 21.151 -21.232 1.00 0.00 N ATOM 1846 CA LYS A 116 4.244 20.993 -21.571 1.00 0.00 C ATOM 1847 C LYS A 116 3.364 21.819 -20.637 1.00 0.00 C ATOM 1848 O LYS A 116 2.603 22.678 -21.084 1.00 0.00 O ATOM 1849 CB LYS A 116 3.842 19.518 -21.496 1.00 0.00 C ATOM 1850 CG LYS A 116 4.051 18.764 -22.797 1.00 0.00 C ATOM 1851 CD LYS A 116 5.470 18.234 -22.914 1.00 0.00 C ATOM 1852 CE LYS A 116 5.762 17.726 -24.317 1.00 0.00 C ATOM 1853 NZ LYS A 116 5.800 18.834 -25.311 1.00 0.00 N ATOM 0 H LYS A 116 6.009 20.456 -20.575 1.00 0.00 H new ATOM 0 HA LYS A 116 4.099 21.351 -22.590 1.00 0.00 H new ATOM 0 HB2 LYS A 116 4.418 19.033 -20.708 1.00 0.00 H new ATOM 0 HB3 LYS A 116 2.792 19.450 -21.211 1.00 0.00 H new ATOM 0 HG2 LYS A 116 3.346 17.935 -22.855 1.00 0.00 H new ATOM 0 HG3 LYS A 116 3.837 19.423 -23.639 1.00 0.00 H new ATOM 0 HD2 LYS A 116 6.176 19.023 -22.658 1.00 0.00 H new ATOM 0 HD3 LYS A 116 5.619 17.428 -22.196 1.00 0.00 H new ATOM 0 HE2 LYS A 116 6.717 17.201 -24.322 1.00 0.00 H new ATOM 0 HE3 LYS A 116 5.000 17.003 -24.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 6.289 18.513 -26.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 4.829 19.118 -25.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 6.309 19.646 -24.906 1.00 0.00 H new ATOM 1867 N LEU A 117 3.474 21.554 -19.340 1.00 0.00 N ATOM 1868 CA LEU A 117 2.689 22.273 -18.343 1.00 0.00 C ATOM 1869 C LEU A 117 3.282 23.653 -18.077 1.00 0.00 C ATOM 1870 O LEU A 117 2.593 24.668 -18.187 1.00 0.00 O ATOM 1871 CB LEU A 117 2.625 21.473 -17.041 1.00 0.00 C ATOM 1872 CG LEU A 117 2.431 19.964 -17.190 1.00 0.00 C ATOM 1873 CD1 LEU A 117 2.017 19.345 -15.863 1.00 0.00 C ATOM 1874 CD2 LEU A 117 1.398 19.662 -18.266 1.00 0.00 C ATOM 0 H LEU A 117 4.099 20.846 -18.954 1.00 0.00 H new ATOM 0 HA LEU A 117 1.679 22.400 -18.733 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.546 21.648 -16.485 1.00 0.00 H new ATOM 0 HB3 LEU A 117 1.808 21.866 -16.436 1.00 0.00 H new ATOM 0 HG LEU A 117 3.381 19.524 -17.493 1.00 0.00 H new ATOM 0 HD11 LEU A 117 1.884 18.271 -15.989 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.791 19.530 -15.118 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.079 19.791 -15.530 1.00 0.00 H new ATOM 0 HD21 LEU A 117 1.273 18.583 -18.358 1.00 0.00 H new ATOM 0 HD22 LEU A 117 0.445 20.116 -17.993 1.00 0.00 H new ATOM 0 HD23 LEU A 117 1.735 20.071 -19.219 1.00 0.00 H new ATOM 1886 N HIS A 118 4.564 23.684 -17.727 1.00 0.00 N ATOM 1887 CA HIS A 118 5.250 24.940 -17.447 1.00 0.00 C ATOM 1888 C HIS A 118 5.820 25.544 -18.727 1.00 0.00 C ATOM 1889 O HIS A 118 6.889 26.155 -18.714 1.00 0.00 O ATOM 1890 CB HIS A 118 6.371 24.718 -16.431 1.00 0.00 C ATOM 1891 CG HIS A 118 5.890 24.185 -15.116 1.00 0.00 C ATOM 1892 ND1 HIS A 118 6.132 23.006 -14.497 1.00 0.00 N flip ATOM 1893 CD2 HIS A 118 5.054 24.892 -14.278 1.00 0.00 C flip ATOM 1894 CE1 HIS A 118 5.446 23.022 -13.308 1.00 0.00 C flip ATOM 1895 NE2 HIS A 118 4.803 24.171 -13.200 1.00 0.00 N flip ATOM 0 H HIS A 118 5.149 22.854 -17.631 1.00 0.00 H new ATOM 0 HA HIS A 118 4.524 25.637 -17.029 1.00 0.00 H new ATOM 0 HB2 HIS A 118 7.099 24.024 -16.851 1.00 0.00 H new ATOM 0 HB3 HIS A 118 6.891 25.661 -16.263 1.00 0.00 H new ATOM 0 HD2 HIS A 118 4.665 25.881 -14.473 1.00 0.00 H new ATOM 0 HE1 HIS A 118 5.434 22.225 -12.579 1.00 0.00 H new ATOM 0 HE2 HIS A 118 4.213 24.453 -12.417 1.00 0.00 H new