USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=39 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 107 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.0107) USER MOD Set 1.2: A 111 GLN : amide:sc= -0.146 K(o=-0.15,f=-0.82) USER MOD Set 2.1: A 97 CYS SG : rot 22:sc= 1.03 USER MOD Set 2.2: A 100 CYS SG : rot -56:sc= -4.61! USER MOD Set 2.3: A 113 HIS :FLIP no HD1:sc= -2.59 F(o=-8.7!,f=-7.9) USER MOD Set 2.4: A 114 MET CE :methyl -119:sc= -0.124 (180deg=-0.437) USER MOD Set 2.5: A 118 HIS :FLIP no HD1:sc= -1.62 X(o=-8.4!,f=-7.9) USER MOD Set 3.1: A 69 CYS SG : rot -129:sc= -2.45 USER MOD Set 3.2: A 72 CYS SG : rot -31:sc= -1.76! USER MOD Set 3.3: A 85 HIS : no HD1:sc= -2.11 K(o=-16,f=-17) USER MOD Set 3.4: A 86 MET CE :methyl 159:sc= -4.54 (180deg=-2.35!) USER MOD Set 3.5: A 89 HIS : no HD1:sc= -4.74! C(o=-16!,f=-18!) USER MOD Set 4.1: A 38 CYS SG : rot -20:sc= -0.468 USER MOD Set 4.2: A 41 CYS SG : rot -67:sc= -2.22! USER MOD Set 4.3: A 45 TYR OH : rot 150:sc= 0 USER MOD Set 4.4: A 54 HIS :FLIP no HD1:sc= -1.44 F(o=-5.2,f=-4.1) USER MOD Set 5.1: A 10 CYS SG : rot 163:sc= -0.129 USER MOD Set 5.2: A 12 THR OG1 : rot 91:sc= 0.074 USER MOD Set 5.3: A 13 CYS SG : rot -40:sc= -1.57! USER MOD Set 5.4: A 26 HIS : no HE2:sc= -3.1 K(o=-4.7,f=-5.3) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -108:sc= -0.338 (180deg=-2.65!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 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=-0.00391 X(o=-0.0039,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 167:sc= 1.09 (180deg=0.954) USER MOD Single : A 44 CYS SG : rot 180:sc= 0.00223 USER MOD Single : A 48 LYS NZ :NH3+ 163:sc= -0.0306 (180deg=-0.259) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -40:sc= 0.311 USER MOD Single : A 73 GLN :FLIP amide:sc= -0.081 F(o=-1.7,f=-0.081) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -128:sc= -0.336 (180deg=-2.13!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= -0.507 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 K(o=0,f=-0.51) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 MET CE :methyl 161:sc= -0.653 (180deg=-0.715) USER MOD Single : A 106 GLN : amide:sc= -0.0391 X(o=-0.039,f=-0.5) USER MOD Single : A 108 LYS NZ :NH3+ 158:sc= -0.155 (180deg=-0.827) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0183) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 8.641 5.629 5.565 1.00 0.00 N ATOM 60 CA GLY A 7 7.717 5.633 6.684 1.00 0.00 C ATOM 61 C GLY A 7 7.543 4.257 7.297 1.00 0.00 C ATOM 62 O GLY A 7 8.051 3.267 6.771 1.00 0.00 O ATOM 0 HA2 GLY A 7 8.077 6.324 7.446 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.748 6.004 6.350 1.00 0.00 H new ATOM 66 N VAL A 8 6.825 4.195 8.414 1.00 0.00 N ATOM 67 CA VAL A 8 6.587 2.931 9.100 1.00 0.00 C ATOM 68 C VAL A 8 5.589 2.069 8.334 1.00 0.00 C ATOM 69 O VAL A 8 5.016 2.505 7.336 1.00 0.00 O ATOM 70 CB VAL A 8 6.061 3.158 10.529 1.00 0.00 C ATOM 71 CG1 VAL A 8 7.115 3.844 11.384 1.00 0.00 C ATOM 72 CG2 VAL A 8 4.775 3.971 10.500 1.00 0.00 C ATOM 0 H VAL A 8 6.398 5.005 8.863 1.00 0.00 H new ATOM 0 HA VAL A 8 7.545 2.414 9.151 1.00 0.00 H new ATOM 0 HB VAL A 8 5.841 2.188 10.975 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.725 3.996 12.390 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.008 3.220 11.431 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.369 4.808 10.944 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.417 4.122 11.518 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.966 4.938 10.035 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.019 3.436 9.925 1.00 0.00 H new ATOM 82 N GLU A 9 5.386 0.844 8.809 1.00 0.00 N ATOM 83 CA GLU A 9 4.457 -0.078 8.167 1.00 0.00 C ATOM 84 C GLU A 9 3.737 -0.934 9.205 1.00 0.00 C ATOM 85 O GLU A 9 4.325 -1.342 10.207 1.00 0.00 O ATOM 86 CB GLU A 9 5.198 -0.976 7.175 1.00 0.00 C ATOM 87 CG GLU A 9 4.313 -2.025 6.523 1.00 0.00 C ATOM 88 CD GLU A 9 4.862 -2.509 5.196 1.00 0.00 C ATOM 89 OE1 GLU A 9 5.958 -3.108 5.191 1.00 0.00 O ATOM 90 OE2 GLU A 9 4.197 -2.290 4.162 1.00 0.00 O ATOM 0 H GLU A 9 5.852 0.468 9.635 1.00 0.00 H new ATOM 0 HA GLU A 9 3.715 0.511 7.628 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.643 -0.355 6.398 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.018 -1.475 7.692 1.00 0.00 H new ATOM 0 HG2 GLU A 9 4.205 -2.874 7.198 1.00 0.00 H new ATOM 0 HG3 GLU A 9 3.317 -1.610 6.370 1.00 0.00 H new ATOM 97 N CYS A 10 2.459 -1.203 8.958 1.00 0.00 N ATOM 98 CA CYS A 10 1.657 -2.009 9.870 1.00 0.00 C ATOM 99 C CYS A 10 1.717 -3.485 9.488 1.00 0.00 C ATOM 100 O CYS A 10 1.265 -3.895 8.418 1.00 0.00 O ATOM 101 CB CYS A 10 0.204 -1.529 9.865 1.00 0.00 C ATOM 102 SG CYS A 10 -0.913 -2.529 10.900 1.00 0.00 S ATOM 0 H CYS A 10 1.957 -0.874 8.133 1.00 0.00 H new ATOM 0 HA CYS A 10 2.068 -1.894 10.873 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.173 -0.495 10.209 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.166 -1.535 8.840 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.007 -1.864 11.125 1.00 0.00 H new ATOM 107 N PRO A 11 2.289 -4.305 10.383 1.00 0.00 N ATOM 108 CA PRO A 11 2.422 -5.748 10.163 1.00 0.00 C ATOM 109 C PRO A 11 1.079 -6.468 10.215 1.00 0.00 C ATOM 110 O PRO A 11 1.019 -7.698 10.165 1.00 0.00 O ATOM 111 CB PRO A 11 3.317 -6.202 11.319 1.00 0.00 C ATOM 112 CG PRO A 11 3.098 -5.188 12.388 1.00 0.00 C ATOM 113 CD PRO A 11 2.849 -3.886 11.679 1.00 0.00 C ATOM 0 HA PRO A 11 2.828 -5.974 9.177 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.047 -7.201 11.660 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.364 -6.240 11.018 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.249 -5.459 13.015 1.00 0.00 H new ATOM 0 HG3 PRO A 11 3.967 -5.116 13.042 1.00 0.00 H new ATOM 0 HD2 PRO A 11 2.154 -3.254 12.232 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.769 -3.314 11.554 1.00 0.00 H new ATOM 121 N THR A 12 0.001 -5.696 10.314 1.00 0.00 N ATOM 122 CA THR A 12 -1.341 -6.260 10.373 1.00 0.00 C ATOM 123 C THR A 12 -2.049 -6.137 9.029 1.00 0.00 C ATOM 124 O THR A 12 -2.474 -7.135 8.445 1.00 0.00 O ATOM 125 CB THR A 12 -2.194 -5.570 11.454 1.00 0.00 C ATOM 126 OG1 THR A 12 -1.428 -5.410 12.654 1.00 0.00 O ATOM 127 CG2 THR A 12 -3.448 -6.378 11.752 1.00 0.00 C ATOM 0 H THR A 12 0.032 -4.677 10.355 1.00 0.00 H new ATOM 0 HA THR A 12 -1.229 -7.314 10.627 1.00 0.00 H new ATOM 0 HB THR A 12 -2.492 -4.591 11.080 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.977 -4.540 12.641 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.034 -5.871 12.518 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.043 -6.474 10.844 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.166 -7.369 12.108 1.00 0.00 H new ATOM 135 N CYS A 13 -2.173 -4.907 8.541 1.00 0.00 N ATOM 136 CA CYS A 13 -2.829 -4.652 7.264 1.00 0.00 C ATOM 137 C CYS A 13 -1.848 -4.062 6.256 1.00 0.00 C ATOM 138 O CYS A 13 -2.250 -3.476 5.251 1.00 0.00 O ATOM 139 CB CYS A 13 -4.013 -3.702 7.456 1.00 0.00 C ATOM 140 SG CYS A 13 -3.576 -2.120 8.246 1.00 0.00 S ATOM 0 H CYS A 13 -1.827 -4.071 9.011 1.00 0.00 H new ATOM 0 HA CYS A 13 -3.194 -5.603 6.875 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.463 -3.499 6.484 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.771 -4.201 8.060 1.00 0.00 H new ATOM 0 HG CYS A 13 -2.708 -2.332 9.190 1.00 0.00 H new ATOM 145 N HIS A 14 -0.557 -4.221 6.532 1.00 0.00 N ATOM 146 CA HIS A 14 0.483 -3.705 5.649 1.00 0.00 C ATOM 147 C HIS A 14 0.205 -2.253 5.273 1.00 0.00 C ATOM 148 O HIS A 14 0.514 -1.817 4.164 1.00 0.00 O ATOM 149 CB HIS A 14 0.580 -4.561 4.386 1.00 0.00 C ATOM 150 CG HIS A 14 0.770 -6.021 4.665 1.00 0.00 C ATOM 151 ND1 HIS A 14 1.706 -6.501 5.556 1.00 0.00 N ATOM 152 CD2 HIS A 14 0.136 -7.107 4.166 1.00 0.00 C ATOM 153 CE1 HIS A 14 1.641 -7.820 5.591 1.00 0.00 C ATOM 154 NE2 HIS A 14 0.695 -8.213 4.757 1.00 0.00 N ATOM 0 H HIS A 14 -0.206 -4.703 7.360 1.00 0.00 H new ATOM 0 HA HIS A 14 1.433 -3.749 6.182 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.327 -4.427 3.796 1.00 0.00 H new ATOM 0 HB3 HIS A 14 1.412 -4.204 3.778 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -0.662 -7.104 3.438 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.257 -8.467 6.198 1.00 0.00 H new ATOM 0 HE2 HIS A 14 0.424 -9.180 4.581 1.00 0.00 H new ATOM 162 N LYS A 15 -0.380 -1.507 6.205 1.00 0.00 N ATOM 163 CA LYS A 15 -0.700 -0.104 5.973 1.00 0.00 C ATOM 164 C LYS A 15 0.411 0.801 6.497 1.00 0.00 C ATOM 165 O LYS A 15 0.659 0.863 7.701 1.00 0.00 O ATOM 166 CB LYS A 15 -2.026 0.257 6.646 1.00 0.00 C ATOM 167 CG LYS A 15 -2.582 1.602 6.213 1.00 0.00 C ATOM 168 CD LYS A 15 -3.890 1.919 6.920 1.00 0.00 C ATOM 169 CE LYS A 15 -4.743 2.881 6.108 1.00 0.00 C ATOM 170 NZ LYS A 15 -5.875 3.427 6.906 1.00 0.00 N ATOM 0 H LYS A 15 -0.642 -1.852 7.129 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.793 0.048 4.898 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.759 -0.518 6.424 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.885 0.262 7.727 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.853 2.384 6.427 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.741 1.601 5.135 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.444 0.997 7.093 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.681 2.353 7.898 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.123 3.702 5.749 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.133 2.368 5.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.432 4.078 6.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.482 2.646 7.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.503 3.939 7.731 1.00 0.00 H new ATOM 184 N LYS A 16 1.076 1.502 5.585 1.00 0.00 N ATOM 185 CA LYS A 16 2.158 2.407 5.955 1.00 0.00 C ATOM 186 C LYS A 16 1.610 3.759 6.398 1.00 0.00 C ATOM 187 O LYS A 16 0.480 4.121 6.068 1.00 0.00 O ATOM 188 CB LYS A 16 3.118 2.594 4.777 1.00 0.00 C ATOM 189 CG LYS A 16 3.912 1.346 4.434 1.00 0.00 C ATOM 190 CD LYS A 16 5.229 1.690 3.759 1.00 0.00 C ATOM 191 CE LYS A 16 5.659 0.601 2.789 1.00 0.00 C ATOM 192 NZ LYS A 16 6.459 -0.459 3.463 1.00 0.00 N ATOM 0 H LYS A 16 0.885 1.461 4.584 1.00 0.00 H new ATOM 0 HA LYS A 16 2.699 1.964 6.791 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.548 2.904 3.901 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.811 3.403 5.009 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.106 0.776 5.343 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.322 0.707 3.777 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.130 2.635 3.226 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.001 1.830 4.516 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.777 0.154 2.331 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.247 1.043 1.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.454 -0.380 3.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.389 -0.344 4.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.093 -1.394 3.194 1.00 0.00 H new ATOM 206 N PHE A 17 2.418 4.504 7.146 1.00 0.00 N ATOM 207 CA PHE A 17 2.014 5.817 7.634 1.00 0.00 C ATOM 208 C PHE A 17 3.159 6.818 7.516 1.00 0.00 C ATOM 209 O PHE A 17 4.280 6.455 7.156 1.00 0.00 O ATOM 210 CB PHE A 17 1.551 5.723 9.089 1.00 0.00 C ATOM 211 CG PHE A 17 0.320 4.884 9.275 1.00 0.00 C ATOM 212 CD1 PHE A 17 0.395 3.501 9.231 1.00 0.00 C ATOM 213 CD2 PHE A 17 -0.913 5.477 9.492 1.00 0.00 C ATOM 214 CE1 PHE A 17 -0.736 2.725 9.401 1.00 0.00 C ATOM 215 CE2 PHE A 17 -2.048 4.706 9.663 1.00 0.00 C ATOM 216 CZ PHE A 17 -1.959 3.329 9.617 1.00 0.00 C ATOM 0 H PHE A 17 3.357 4.220 7.427 1.00 0.00 H new ATOM 0 HA PHE A 17 1.185 6.167 7.018 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.358 5.308 9.692 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.356 6.727 9.465 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.349 3.024 9.062 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.989 6.554 9.528 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.663 1.648 9.365 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.003 5.181 9.832 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.844 2.725 9.750 1.00 0.00 H new ATOM 226 N LEU A 18 2.870 8.078 7.820 1.00 0.00 N ATOM 227 CA LEU A 18 3.875 9.133 7.748 1.00 0.00 C ATOM 228 C LEU A 18 4.861 9.025 8.907 1.00 0.00 C ATOM 229 O LEU A 18 6.071 9.157 8.721 1.00 0.00 O ATOM 230 CB LEU A 18 3.203 10.506 7.761 1.00 0.00 C ATOM 231 CG LEU A 18 2.274 10.810 6.585 1.00 0.00 C ATOM 232 CD1 LEU A 18 1.320 11.941 6.937 1.00 0.00 C ATOM 233 CD2 LEU A 18 3.081 11.158 5.343 1.00 0.00 C ATOM 0 H LEU A 18 1.948 8.394 8.119 1.00 0.00 H new ATOM 0 HA LEU A 18 4.425 9.014 6.815 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.630 10.599 8.684 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.981 11.269 7.790 1.00 0.00 H new ATOM 0 HG LEU A 18 1.685 9.918 6.373 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.667 12.143 6.088 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.717 11.654 7.799 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.891 12.838 7.177 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.403 11.371 4.517 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.697 12.035 5.543 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.722 10.317 5.078 1.00 0.00 H new ATOM 245 N SER A 19 4.335 8.784 10.104 1.00 0.00 N ATOM 246 CA SER A 19 5.169 8.660 11.294 1.00 0.00 C ATOM 247 C SER A 19 4.638 7.569 12.218 1.00 0.00 C ATOM 248 O SER A 19 3.607 6.954 11.945 1.00 0.00 O ATOM 249 CB SER A 19 5.228 9.994 12.042 1.00 0.00 C ATOM 250 OG SER A 19 5.763 11.016 11.220 1.00 0.00 O ATOM 0 H SER A 19 3.336 8.671 10.275 1.00 0.00 H new ATOM 0 HA SER A 19 6.175 8.385 10.976 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.228 10.274 12.371 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.840 9.886 12.938 1.00 0.00 H new ATOM 0 HG SER A 19 5.789 11.858 11.720 1.00 0.00 H new ATOM 256 N LYS A 20 5.350 7.333 13.315 1.00 0.00 N ATOM 257 CA LYS A 20 4.953 6.317 14.282 1.00 0.00 C ATOM 258 C LYS A 20 3.649 6.703 14.973 1.00 0.00 C ATOM 259 O LYS A 20 2.782 5.859 15.201 1.00 0.00 O ATOM 260 CB LYS A 20 6.055 6.117 15.325 1.00 0.00 C ATOM 261 CG LYS A 20 7.169 5.193 14.864 1.00 0.00 C ATOM 262 CD LYS A 20 8.008 5.834 13.771 1.00 0.00 C ATOM 263 CE LYS A 20 8.974 6.862 14.340 1.00 0.00 C ATOM 264 NZ LYS A 20 10.182 7.021 13.483 1.00 0.00 N ATOM 0 H LYS A 20 6.206 7.832 13.556 1.00 0.00 H new ATOM 0 HA LYS A 20 4.796 5.382 13.744 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.482 7.087 15.581 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.613 5.713 16.236 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.806 4.939 15.711 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.741 4.261 14.496 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.567 5.063 13.240 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.354 6.312 13.042 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.468 7.822 14.436 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.277 6.560 15.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.816 7.730 13.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.680 6.110 13.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.895 7.334 12.533 1.00 0.00 H new ATOM 278 N TYR A 21 3.516 7.984 15.301 1.00 0.00 N ATOM 279 CA TYR A 21 2.318 8.482 15.966 1.00 0.00 C ATOM 280 C TYR A 21 1.058 7.934 15.302 1.00 0.00 C ATOM 281 O TYR A 21 0.296 7.185 15.913 1.00 0.00 O ATOM 282 CB TYR A 21 2.295 10.011 15.944 1.00 0.00 C ATOM 283 CG TYR A 21 0.936 10.601 16.245 1.00 0.00 C ATOM 284 CD1 TYR A 21 0.448 10.645 17.545 1.00 0.00 C ATOM 285 CD2 TYR A 21 0.140 11.116 15.229 1.00 0.00 C ATOM 286 CE1 TYR A 21 -0.794 11.182 17.824 1.00 0.00 C ATOM 287 CE2 TYR A 21 -1.102 11.656 15.499 1.00 0.00 C ATOM 288 CZ TYR A 21 -1.565 11.687 16.798 1.00 0.00 C ATOM 289 OH TYR A 21 -2.801 12.224 17.072 1.00 0.00 O ATOM 0 H TYR A 21 4.223 8.696 15.117 1.00 0.00 H new ATOM 0 HA TYR A 21 2.340 8.140 17.001 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.014 10.387 16.672 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.623 10.357 14.964 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.050 10.253 18.351 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.499 11.094 14.211 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.159 11.206 18.840 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.708 12.052 14.697 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.214 12.536 16.240 1.00 0.00 H new ATOM 299 N TYR A 22 0.847 8.313 14.046 1.00 0.00 N ATOM 300 CA TYR A 22 -0.320 7.862 13.297 1.00 0.00 C ATOM 301 C TYR A 22 -0.456 6.344 13.363 1.00 0.00 C ATOM 302 O TYR A 22 -1.565 5.810 13.422 1.00 0.00 O ATOM 303 CB TYR A 22 -0.222 8.313 11.839 1.00 0.00 C ATOM 304 CG TYR A 22 -0.132 9.814 11.675 1.00 0.00 C ATOM 305 CD1 TYR A 22 -0.994 10.660 12.362 1.00 0.00 C ATOM 306 CD2 TYR A 22 0.813 10.385 10.831 1.00 0.00 C ATOM 307 CE1 TYR A 22 -0.916 12.032 12.214 1.00 0.00 C ATOM 308 CE2 TYR A 22 0.899 11.755 10.679 1.00 0.00 C ATOM 309 CZ TYR A 22 0.032 12.574 11.372 1.00 0.00 C ATOM 310 OH TYR A 22 0.114 13.940 11.222 1.00 0.00 O ATOM 0 H TYR A 22 1.469 8.931 13.525 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.205 8.308 13.750 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.655 7.853 11.383 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.093 7.948 11.295 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.737 10.239 13.023 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.492 9.747 10.285 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.594 12.676 12.755 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.641 12.183 10.021 1.00 0.00 H new ATOM 0 HH TYR A 22 0.835 14.158 10.595 1.00 0.00 H new ATOM 320 N LEU A 23 0.679 5.654 13.354 1.00 0.00 N ATOM 321 CA LEU A 23 0.688 4.196 13.413 1.00 0.00 C ATOM 322 C LEU A 23 0.191 3.703 14.768 1.00 0.00 C ATOM 323 O LEU A 23 -0.865 3.078 14.865 1.00 0.00 O ATOM 324 CB LEU A 23 2.098 3.664 13.150 1.00 0.00 C ATOM 325 CG LEU A 23 2.311 2.171 13.403 1.00 0.00 C ATOM 326 CD1 LEU A 23 1.509 1.343 12.411 1.00 0.00 C ATOM 327 CD2 LEU A 23 3.789 1.822 13.321 1.00 0.00 C ATOM 0 H LEU A 23 1.605 6.080 13.306 1.00 0.00 H new ATOM 0 HA LEU A 23 0.015 3.822 12.642 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.357 3.877 12.113 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.797 4.221 13.774 1.00 0.00 H new ATOM 0 HG LEU A 23 1.959 1.938 14.408 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.673 0.283 12.606 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.449 1.572 12.519 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.830 1.579 11.396 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.922 0.756 13.504 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.167 2.070 12.329 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.339 2.390 14.071 1.00 0.00 H new ATOM 339 N LYS A 24 0.958 3.990 15.814 1.00 0.00 N ATOM 340 CA LYS A 24 0.596 3.580 17.166 1.00 0.00 C ATOM 341 C LYS A 24 -0.889 3.816 17.426 1.00 0.00 C ATOM 342 O LYS A 24 -1.543 3.026 18.105 1.00 0.00 O ATOM 343 CB LYS A 24 1.433 4.344 18.194 1.00 0.00 C ATOM 344 CG LYS A 24 1.146 5.835 18.226 1.00 0.00 C ATOM 345 CD LYS A 24 1.622 6.467 19.523 1.00 0.00 C ATOM 346 CE LYS A 24 1.263 7.944 19.588 1.00 0.00 C ATOM 347 NZ LYS A 24 1.432 8.496 20.960 1.00 0.00 N ATOM 0 H LYS A 24 1.836 4.506 15.751 1.00 0.00 H new ATOM 0 HA LYS A 24 0.799 2.513 17.263 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.248 3.926 19.183 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.490 4.191 17.976 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.638 6.319 17.382 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.075 6.003 18.110 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.175 5.945 20.369 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.702 6.350 19.611 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.891 8.501 18.893 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.231 8.081 19.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.177 9.504 20.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.814 7.981 21.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.423 8.388 21.258 1.00 0.00 H new ATOM 361 N VAL A 25 -1.414 4.909 16.880 1.00 0.00 N ATOM 362 CA VAL A 25 -2.822 5.248 17.052 1.00 0.00 C ATOM 363 C VAL A 25 -3.710 4.354 16.194 1.00 0.00 C ATOM 364 O VAL A 25 -4.802 3.963 16.609 1.00 0.00 O ATOM 365 CB VAL A 25 -3.093 6.720 16.691 1.00 0.00 C ATOM 366 CG1 VAL A 25 -4.585 7.014 16.729 1.00 0.00 C ATOM 367 CG2 VAL A 25 -2.334 7.647 17.629 1.00 0.00 C ATOM 0 H VAL A 25 -0.886 5.574 16.315 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.060 5.090 18.104 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.738 6.898 15.676 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.757 8.059 16.471 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.100 6.374 16.013 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.969 6.820 17.731 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.537 8.683 17.359 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.656 7.469 18.655 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.265 7.453 17.545 1.00 0.00 H new ATOM 377 N HIS A 26 -3.236 4.033 14.995 1.00 0.00 N ATOM 378 CA HIS A 26 -3.987 3.183 14.077 1.00 0.00 C ATOM 379 C HIS A 26 -4.034 1.744 14.584 1.00 0.00 C ATOM 380 O HIS A 26 -5.103 1.143 14.675 1.00 0.00 O ATOM 381 CB HIS A 26 -3.362 3.224 12.683 1.00 0.00 C ATOM 382 CG HIS A 26 -3.538 1.954 11.909 1.00 0.00 C ATOM 383 ND1 HIS A 26 -4.532 1.776 10.970 1.00 0.00 N ATOM 384 CD2 HIS A 26 -2.839 0.795 11.939 1.00 0.00 C ATOM 385 CE1 HIS A 26 -4.437 0.563 10.456 1.00 0.00 C ATOM 386 NE2 HIS A 26 -3.418 -0.053 11.027 1.00 0.00 N ATOM 0 H HIS A 26 -2.335 4.348 14.636 1.00 0.00 H new ATOM 0 HA HIS A 26 -5.007 3.564 14.021 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.803 4.047 12.120 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -2.297 3.437 12.778 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -5.231 2.472 10.713 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -1.985 0.578 12.564 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -5.083 0.146 9.698 1.00 0.00 H new ATOM 394 N ASN A 27 -2.866 1.199 14.912 1.00 0.00 N ATOM 395 CA ASN A 27 -2.774 -0.169 15.408 1.00 0.00 C ATOM 396 C ASN A 27 -3.865 -0.449 16.437 1.00 0.00 C ATOM 397 O ASN A 27 -4.514 -1.494 16.400 1.00 0.00 O ATOM 398 CB ASN A 27 -1.397 -0.417 16.027 1.00 0.00 C ATOM 399 CG ASN A 27 -1.352 -1.696 16.841 1.00 0.00 C ATOM 400 OD1 ASN A 27 -1.256 -2.793 16.290 1.00 0.00 O ATOM 401 ND2 ASN A 27 -1.420 -1.560 18.160 1.00 0.00 N ATOM 0 H ASN A 27 -1.971 1.684 14.843 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.913 -0.845 14.565 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.649 -0.467 15.235 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.131 0.426 16.665 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.393 -2.385 18.760 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.499 -0.631 18.574 1.00 0.00 H new ATOM 543 N PHE A 36 -16.931 -10.315 14.369 1.00 0.00 N ATOM 544 CA PHE A 36 -16.568 -11.515 13.624 1.00 0.00 C ATOM 545 C PHE A 36 -15.104 -11.466 13.196 1.00 0.00 C ATOM 546 O PHE A 36 -14.397 -10.499 13.475 1.00 0.00 O ATOM 547 CB PHE A 36 -17.466 -11.669 12.395 1.00 0.00 C ATOM 548 CG PHE A 36 -18.930 -11.535 12.701 1.00 0.00 C ATOM 549 CD1 PHE A 36 -19.672 -12.636 13.096 1.00 0.00 C ATOM 550 CD2 PHE A 36 -19.564 -10.308 12.595 1.00 0.00 C ATOM 551 CE1 PHE A 36 -21.020 -12.516 13.378 1.00 0.00 C ATOM 552 CE2 PHE A 36 -20.912 -10.181 12.876 1.00 0.00 C ATOM 553 CZ PHE A 36 -21.640 -11.286 13.269 1.00 0.00 C ATOM 0 HA PHE A 36 -16.709 -12.376 14.278 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -17.188 -10.918 11.655 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -17.285 -12.644 11.943 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -19.192 -13.599 13.185 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -18.999 -9.440 12.289 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -21.588 -13.383 13.683 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -21.394 -9.219 12.788 1.00 0.00 H new ATOM 0 HZ PHE A 36 -22.693 -11.189 13.491 1.00 0.00 H new ATOM 563 N GLU A 37 -14.657 -12.518 12.517 1.00 0.00 N ATOM 564 CA GLU A 37 -13.278 -12.596 12.051 1.00 0.00 C ATOM 565 C GLU A 37 -13.120 -13.689 10.998 1.00 0.00 C ATOM 566 O GLU A 37 -13.879 -14.659 10.974 1.00 0.00 O ATOM 567 CB GLU A 37 -12.334 -12.865 13.226 1.00 0.00 C ATOM 568 CG GLU A 37 -10.873 -12.965 12.822 1.00 0.00 C ATOM 569 CD GLU A 37 -9.934 -12.909 14.011 1.00 0.00 C ATOM 570 OE1 GLU A 37 -10.013 -11.930 14.782 1.00 0.00 O ATOM 571 OE2 GLU A 37 -9.120 -13.842 14.170 1.00 0.00 O ATOM 0 H GLU A 37 -15.230 -13.327 12.278 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.020 -11.639 11.598 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.445 -12.067 13.961 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.631 -13.793 13.715 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.713 -13.897 12.281 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.633 -12.153 12.136 1.00 0.00 H new ATOM 578 N CYS A 38 -12.129 -13.525 10.128 1.00 0.00 N ATOM 579 CA CYS A 38 -11.871 -14.496 9.071 1.00 0.00 C ATOM 580 C CYS A 38 -11.297 -15.788 9.647 1.00 0.00 C ATOM 581 O CYS A 38 -10.181 -15.824 10.165 1.00 0.00 O ATOM 582 CB CYS A 38 -10.904 -13.912 8.039 1.00 0.00 C ATOM 583 SG CYS A 38 -10.893 -14.796 6.446 1.00 0.00 S ATOM 0 H CYS A 38 -11.491 -12.729 10.134 1.00 0.00 H new ATOM 0 HA CYS A 38 -12.819 -14.725 8.583 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -11.165 -12.869 7.862 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.896 -13.922 8.455 1.00 0.00 H new ATOM 0 HG CYS A 38 -11.379 -15.991 6.609 1.00 0.00 H new ATOM 588 N PRO A 39 -12.079 -16.874 9.554 1.00 0.00 N ATOM 589 CA PRO A 39 -11.670 -18.188 10.059 1.00 0.00 C ATOM 590 C PRO A 39 -10.547 -18.804 9.231 1.00 0.00 C ATOM 591 O PRO A 39 -10.092 -19.913 9.511 1.00 0.00 O ATOM 592 CB PRO A 39 -12.945 -19.027 9.939 1.00 0.00 C ATOM 593 CG PRO A 39 -13.727 -18.373 8.853 1.00 0.00 C ATOM 594 CD PRO A 39 -13.421 -16.904 8.949 1.00 0.00 C ATOM 0 HA PRO A 39 -11.276 -18.130 11.073 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.715 -20.064 9.692 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -13.501 -19.038 10.876 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.445 -18.767 7.877 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -14.794 -18.558 8.975 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.431 -16.427 7.969 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -14.152 -16.381 9.566 1.00 0.00 H new ATOM 602 N LYS A 40 -10.104 -18.078 8.211 1.00 0.00 N ATOM 603 CA LYS A 40 -9.033 -18.551 7.342 1.00 0.00 C ATOM 604 C LYS A 40 -7.699 -17.920 7.729 1.00 0.00 C ATOM 605 O LYS A 40 -6.670 -18.595 7.769 1.00 0.00 O ATOM 606 CB LYS A 40 -9.355 -18.232 5.881 1.00 0.00 C ATOM 607 CG LYS A 40 -10.552 -18.995 5.341 1.00 0.00 C ATOM 608 CD LYS A 40 -10.147 -20.351 4.790 1.00 0.00 C ATOM 609 CE LYS A 40 -9.379 -20.215 3.484 1.00 0.00 C ATOM 610 NZ LYS A 40 -9.454 -21.457 2.665 1.00 0.00 N ATOM 0 H LYS A 40 -10.471 -17.158 7.965 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.952 -19.631 7.462 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.543 -17.163 5.784 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.483 -18.459 5.268 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.287 -19.129 6.134 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.033 -18.411 4.556 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.532 -20.874 5.522 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.037 -20.960 4.629 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.780 -19.378 2.912 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.336 -19.984 3.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.918 -21.324 1.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.048 -22.251 3.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.448 -21.664 2.439 1.00 0.00 H new ATOM 624 N CYS A 41 -7.725 -16.623 8.016 1.00 0.00 N ATOM 625 CA CYS A 41 -6.518 -15.901 8.402 1.00 0.00 C ATOM 626 C CYS A 41 -6.634 -15.370 9.828 1.00 0.00 C ATOM 627 O CYS A 41 -5.708 -15.499 10.627 1.00 0.00 O ATOM 628 CB CYS A 41 -6.261 -14.743 7.435 1.00 0.00 C ATOM 629 SG CYS A 41 -7.609 -13.521 7.363 1.00 0.00 S ATOM 0 H CYS A 41 -8.569 -16.050 7.989 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.679 -16.596 8.359 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.341 -14.237 7.728 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.098 -15.147 6.436 1.00 0.00 H new ATOM 0 HG CYS A 41 -8.666 -14.071 6.843 1.00 0.00 H new ATOM 634 N GLY A 42 -7.781 -14.773 10.140 1.00 0.00 N ATOM 635 CA GLY A 42 -7.997 -14.232 11.469 1.00 0.00 C ATOM 636 C GLY A 42 -8.086 -12.719 11.472 1.00 0.00 C ATOM 637 O GLY A 42 -7.625 -12.064 12.407 1.00 0.00 O ATOM 0 H GLY A 42 -8.563 -14.655 9.496 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.916 -14.648 11.882 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.183 -14.546 12.122 1.00 0.00 H new ATOM 641 N LYS A 43 -8.679 -12.160 10.422 1.00 0.00 N ATOM 642 CA LYS A 43 -8.826 -10.715 10.305 1.00 0.00 C ATOM 643 C LYS A 43 -10.183 -10.262 10.837 1.00 0.00 C ATOM 644 O LYS A 43 -11.227 -10.670 10.327 1.00 0.00 O ATOM 645 CB LYS A 43 -8.668 -10.281 8.846 1.00 0.00 C ATOM 646 CG LYS A 43 -8.107 -8.878 8.686 1.00 0.00 C ATOM 647 CD LYS A 43 -9.215 -7.840 8.619 1.00 0.00 C ATOM 648 CE LYS A 43 -8.736 -6.483 9.111 1.00 0.00 C ATOM 649 NZ LYS A 43 -9.863 -5.524 9.276 1.00 0.00 N ATOM 0 H LYS A 43 -9.066 -12.687 9.639 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.045 -10.246 10.903 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.012 -10.986 8.335 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.639 -10.334 8.353 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.445 -8.652 9.522 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.504 -8.827 7.779 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.571 -7.751 7.593 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.061 -8.169 9.222 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.219 -6.604 10.063 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.012 -6.075 8.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.538 -4.695 9.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.199 -5.219 8.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.640 -5.987 9.790 1.00 0.00 H new ATOM 663 N CYS A 44 -10.159 -9.416 11.861 1.00 0.00 N ATOM 664 CA CYS A 44 -11.387 -8.907 12.461 1.00 0.00 C ATOM 665 C CYS A 44 -12.121 -7.982 11.495 1.00 0.00 C ATOM 666 O CYS A 44 -11.505 -7.349 10.636 1.00 0.00 O ATOM 667 CB CYS A 44 -11.075 -8.164 13.760 1.00 0.00 C ATOM 668 SG CYS A 44 -10.042 -6.696 13.542 1.00 0.00 S ATOM 0 H CYS A 44 -9.303 -9.068 12.293 1.00 0.00 H new ATOM 0 HA CYS A 44 -12.033 -9.757 12.684 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -12.013 -7.869 14.231 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -10.575 -8.848 14.446 1.00 0.00 H new ATOM 0 HG CYS A 44 -9.835 -6.135 14.697 1.00 0.00 H new ATOM 674 N TYR A 45 -13.439 -7.908 11.641 1.00 0.00 N ATOM 675 CA TYR A 45 -14.257 -7.063 10.779 1.00 0.00 C ATOM 676 C TYR A 45 -15.461 -6.514 11.538 1.00 0.00 C ATOM 677 O TYR A 45 -16.022 -7.185 12.405 1.00 0.00 O ATOM 678 CB TYR A 45 -14.728 -7.852 9.555 1.00 0.00 C ATOM 679 CG TYR A 45 -13.722 -7.877 8.427 1.00 0.00 C ATOM 680 CD1 TYR A 45 -13.645 -6.832 7.515 1.00 0.00 C ATOM 681 CD2 TYR A 45 -12.849 -8.947 8.273 1.00 0.00 C ATOM 682 CE1 TYR A 45 -12.727 -6.852 6.482 1.00 0.00 C ATOM 683 CE2 TYR A 45 -11.927 -8.974 7.245 1.00 0.00 C ATOM 684 CZ TYR A 45 -11.870 -7.925 6.352 1.00 0.00 C ATOM 685 OH TYR A 45 -10.954 -7.949 5.325 1.00 0.00 O ATOM 0 H TYR A 45 -13.964 -8.423 12.348 1.00 0.00 H new ATOM 0 HA TYR A 45 -13.645 -6.224 10.449 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -14.949 -8.876 9.856 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -15.659 -7.419 9.190 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -14.314 -5.990 7.615 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -12.892 -9.772 8.969 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -12.681 -6.032 5.781 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -11.254 -9.812 7.141 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.160 -8.450 5.606 1.00 0.00 H new ATOM 695 N PHE A 46 -15.853 -5.289 11.206 1.00 0.00 N ATOM 696 CA PHE A 46 -16.990 -4.648 11.856 1.00 0.00 C ATOM 697 C PHE A 46 -18.304 -5.275 11.398 1.00 0.00 C ATOM 698 O PHE A 46 -19.211 -5.496 12.200 1.00 0.00 O ATOM 699 CB PHE A 46 -16.997 -3.147 11.556 1.00 0.00 C ATOM 700 CG PHE A 46 -17.899 -2.359 12.461 1.00 0.00 C ATOM 701 CD1 PHE A 46 -17.495 -2.025 13.744 1.00 0.00 C ATOM 702 CD2 PHE A 46 -19.151 -1.951 12.030 1.00 0.00 C ATOM 703 CE1 PHE A 46 -18.322 -1.299 14.580 1.00 0.00 C ATOM 704 CE2 PHE A 46 -19.982 -1.225 12.861 1.00 0.00 C ATOM 705 CZ PHE A 46 -19.568 -0.899 14.138 1.00 0.00 C ATOM 0 H PHE A 46 -15.400 -4.720 10.491 1.00 0.00 H new ATOM 0 HA PHE A 46 -16.892 -4.797 12.931 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -15.981 -2.762 11.644 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -17.308 -2.993 10.523 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -16.522 -2.336 14.095 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -19.481 -2.203 11.033 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -17.995 -1.045 15.577 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -20.955 -0.912 12.512 1.00 0.00 H new ATOM 0 HZ PHE A 46 -20.217 -0.333 14.789 1.00 0.00 H new ATOM 715 N ARG A 47 -18.397 -5.559 10.103 1.00 0.00 N ATOM 716 CA ARG A 47 -19.599 -6.159 9.537 1.00 0.00 C ATOM 717 C ARG A 47 -19.324 -7.583 9.063 1.00 0.00 C ATOM 718 O ARG A 47 -18.212 -7.907 8.645 1.00 0.00 O ATOM 719 CB ARG A 47 -20.116 -5.314 8.371 1.00 0.00 C ATOM 720 CG ARG A 47 -20.658 -3.959 8.796 1.00 0.00 C ATOM 721 CD ARG A 47 -19.638 -2.854 8.567 1.00 0.00 C ATOM 722 NE ARG A 47 -20.241 -1.527 8.650 1.00 0.00 N ATOM 723 CZ ARG A 47 -19.692 -0.437 8.125 1.00 0.00 C ATOM 724 NH1 ARG A 47 -18.535 -0.516 7.484 1.00 0.00 N ATOM 725 NH2 ARG A 47 -20.302 0.736 8.241 1.00 0.00 N ATOM 0 H ARG A 47 -17.654 -5.383 9.426 1.00 0.00 H new ATOM 0 HA ARG A 47 -20.359 -6.194 10.317 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.308 -5.165 7.655 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -20.902 -5.865 7.854 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -21.567 -3.738 8.237 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -20.932 -3.990 9.851 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -18.841 -2.937 9.306 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -19.178 -2.983 7.587 1.00 0.00 H new ATOM 0 HE ARG A 47 -21.132 -1.432 9.137 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -18.063 -1.416 7.392 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -18.116 0.323 7.082 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -21.193 0.801 8.733 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -19.880 1.572 7.838 1.00 0.00 H new ATOM 739 N LYS A 48 -20.345 -8.431 9.132 1.00 0.00 N ATOM 740 CA LYS A 48 -20.216 -9.821 8.711 1.00 0.00 C ATOM 741 C LYS A 48 -20.085 -9.920 7.194 1.00 0.00 C ATOM 742 O LYS A 48 -19.195 -10.597 6.682 1.00 0.00 O ATOM 743 CB LYS A 48 -21.423 -10.633 9.183 1.00 0.00 C ATOM 744 CG LYS A 48 -21.328 -12.113 8.852 1.00 0.00 C ATOM 745 CD LYS A 48 -22.208 -12.947 9.768 1.00 0.00 C ATOM 746 CE LYS A 48 -21.950 -14.435 9.586 1.00 0.00 C ATOM 747 NZ LYS A 48 -20.589 -14.822 10.048 1.00 0.00 N ATOM 0 H LYS A 48 -21.272 -8.179 9.476 1.00 0.00 H new ATOM 0 HA LYS A 48 -19.312 -10.229 9.164 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -21.529 -10.517 10.262 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -22.325 -10.225 8.728 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -21.624 -12.275 7.815 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -20.293 -12.441 8.943 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -22.022 -12.669 10.805 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -23.256 -12.731 9.563 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -22.697 -15.004 10.140 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -22.065 -14.698 8.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -20.547 -15.853 10.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -19.886 -14.536 9.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -20.381 -14.348 10.950 1.00 0.00 H new ATOM 761 N GLU A 49 -20.977 -9.238 6.482 1.00 0.00 N ATOM 762 CA GLU A 49 -20.959 -9.249 5.024 1.00 0.00 C ATOM 763 C GLU A 49 -19.555 -8.972 4.495 1.00 0.00 C ATOM 764 O GLU A 49 -19.020 -9.739 3.695 1.00 0.00 O ATOM 765 CB GLU A 49 -21.938 -8.211 4.472 1.00 0.00 C ATOM 766 CG GLU A 49 -23.373 -8.425 4.925 1.00 0.00 C ATOM 767 CD GLU A 49 -24.354 -7.522 4.203 1.00 0.00 C ATOM 768 OE1 GLU A 49 -24.622 -7.770 3.009 1.00 0.00 O ATOM 769 OE2 GLU A 49 -24.854 -6.566 4.833 1.00 0.00 O ATOM 0 H GLU A 49 -21.720 -8.672 6.891 1.00 0.00 H new ATOM 0 HA GLU A 49 -21.265 -10.240 4.690 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -21.613 -7.217 4.781 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -21.903 -8.234 3.383 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -23.652 -9.465 4.757 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -23.442 -8.246 5.998 1.00 0.00 H new ATOM 776 N ASN A 50 -18.965 -7.871 4.947 1.00 0.00 N ATOM 777 CA ASN A 50 -17.624 -7.491 4.519 1.00 0.00 C ATOM 778 C ASN A 50 -16.650 -8.654 4.686 1.00 0.00 C ATOM 779 O ASN A 50 -15.880 -8.969 3.778 1.00 0.00 O ATOM 780 CB ASN A 50 -17.134 -6.282 5.318 1.00 0.00 C ATOM 781 CG ASN A 50 -17.729 -4.980 4.819 1.00 0.00 C ATOM 782 OD1 ASN A 50 -18.780 -4.970 4.177 1.00 0.00 O ATOM 783 ND2 ASN A 50 -17.059 -3.872 5.113 1.00 0.00 N ATOM 0 H ASN A 50 -19.395 -7.226 5.610 1.00 0.00 H new ATOM 0 HA ASN A 50 -17.668 -7.226 3.463 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -17.390 -6.416 6.369 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -16.047 -6.228 5.260 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -17.411 -2.966 4.804 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -16.192 -3.927 5.647 1.00 0.00 H new ATOM 790 N LEU A 51 -16.690 -9.289 5.852 1.00 0.00 N ATOM 791 CA LEU A 51 -15.812 -10.418 6.139 1.00 0.00 C ATOM 792 C LEU A 51 -15.973 -11.513 5.090 1.00 0.00 C ATOM 793 O LEU A 51 -14.998 -11.945 4.473 1.00 0.00 O ATOM 794 CB LEU A 51 -16.110 -10.980 7.530 1.00 0.00 C ATOM 795 CG LEU A 51 -15.477 -12.333 7.857 1.00 0.00 C ATOM 796 CD1 LEU A 51 -13.960 -12.223 7.875 1.00 0.00 C ATOM 797 CD2 LEU A 51 -15.991 -12.855 9.191 1.00 0.00 C ATOM 0 H LEU A 51 -17.321 -9.041 6.614 1.00 0.00 H new ATOM 0 HA LEU A 51 -14.782 -10.062 6.111 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -15.774 -10.256 8.272 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -17.191 -11.071 7.639 1.00 0.00 H new ATOM 0 HG LEU A 51 -15.760 -13.042 7.079 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.527 -13.196 8.109 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -13.607 -11.895 6.897 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -13.657 -11.499 8.631 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -15.530 -13.819 9.407 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -15.739 -12.147 9.980 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -17.073 -12.974 9.143 1.00 0.00 H new ATOM 809 N LEU A 52 -17.209 -11.957 4.891 1.00 0.00 N ATOM 810 CA LEU A 52 -17.498 -13.001 3.913 1.00 0.00 C ATOM 811 C LEU A 52 -16.848 -12.685 2.570 1.00 0.00 C ATOM 812 O LEU A 52 -16.301 -13.569 1.912 1.00 0.00 O ATOM 813 CB LEU A 52 -19.010 -13.158 3.738 1.00 0.00 C ATOM 814 CG LEU A 52 -19.769 -13.729 4.936 1.00 0.00 C ATOM 815 CD1 LEU A 52 -21.270 -13.613 4.721 1.00 0.00 C ATOM 816 CD2 LEU A 52 -19.373 -15.179 5.175 1.00 0.00 C ATOM 0 H LEU A 52 -18.027 -11.611 5.393 1.00 0.00 H new ATOM 0 HA LEU A 52 -17.082 -13.938 4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -19.431 -12.182 3.499 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -19.191 -13.803 2.878 1.00 0.00 H new ATOM 0 HG LEU A 52 -19.504 -13.150 5.820 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -21.794 -14.024 5.584 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -21.540 -12.564 4.599 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -21.553 -14.167 3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -19.923 -15.570 6.031 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -19.610 -15.771 4.291 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -18.303 -15.236 5.374 1.00 0.00 H new ATOM 828 N GLU A 53 -16.912 -11.419 2.171 1.00 0.00 N ATOM 829 CA GLU A 53 -16.328 -10.987 0.907 1.00 0.00 C ATOM 830 C GLU A 53 -14.818 -11.203 0.903 1.00 0.00 C ATOM 831 O GLU A 53 -14.291 -11.965 0.092 1.00 0.00 O ATOM 832 CB GLU A 53 -16.644 -9.511 0.652 1.00 0.00 C ATOM 833 CG GLU A 53 -18.132 -9.205 0.613 1.00 0.00 C ATOM 834 CD GLU A 53 -18.419 -7.733 0.389 1.00 0.00 C ATOM 835 OE1 GLU A 53 -17.803 -7.141 -0.521 1.00 0.00 O ATOM 836 OE2 GLU A 53 -19.259 -7.173 1.125 1.00 0.00 O ATOM 0 H GLU A 53 -17.362 -10.675 2.704 1.00 0.00 H new ATOM 0 HA GLU A 53 -16.765 -11.588 0.110 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -16.178 -8.908 1.432 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -16.195 -9.210 -0.295 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -18.598 -9.787 -0.182 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -18.589 -9.522 1.550 1.00 0.00 H new ATOM 843 N HIS A 54 -14.127 -10.526 1.814 1.00 0.00 N ATOM 844 CA HIS A 54 -12.676 -10.643 1.916 1.00 0.00 C ATOM 845 C HIS A 54 -12.233 -12.089 1.716 1.00 0.00 C ATOM 846 O HIS A 54 -11.290 -12.362 0.974 1.00 0.00 O ATOM 847 CB HIS A 54 -12.197 -10.134 3.276 1.00 0.00 C ATOM 848 CG HIS A 54 -10.951 -10.808 3.763 1.00 0.00 C ATOM 849 ND1 HIS A 54 -10.774 -11.999 4.382 1.00 0.00 N flip ATOM 850 CD2 HIS A 54 -9.696 -10.253 3.635 1.00 0.00 C flip ATOM 851 CE1 HIS A 54 -9.427 -12.140 4.614 1.00 0.00 C flip ATOM 852 NE2 HIS A 54 -8.799 -11.073 4.154 1.00 0.00 N flip ATOM 0 H HIS A 54 -14.548 -9.891 2.492 1.00 0.00 H new ATOM 0 HA HIS A 54 -12.230 -10.033 1.131 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -12.018 -9.061 3.210 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -12.990 -10.281 4.009 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -9.479 -9.297 3.181 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -8.958 -12.986 5.094 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -7.793 -10.910 4.193 1.00 0.00 H new ATOM 860 N GLU A 55 -12.919 -13.011 2.385 1.00 0.00 N ATOM 861 CA GLU A 55 -12.594 -14.429 2.281 1.00 0.00 C ATOM 862 C GLU A 55 -12.354 -14.827 0.827 1.00 0.00 C ATOM 863 O GLU A 55 -11.441 -15.595 0.525 1.00 0.00 O ATOM 864 CB GLU A 55 -13.719 -15.278 2.875 1.00 0.00 C ATOM 865 CG GLU A 55 -13.691 -15.350 4.393 1.00 0.00 C ATOM 866 CD GLU A 55 -14.799 -16.219 4.956 1.00 0.00 C ATOM 867 OE1 GLU A 55 -15.944 -15.731 5.057 1.00 0.00 O ATOM 868 OE2 GLU A 55 -14.520 -17.388 5.295 1.00 0.00 O ATOM 0 H GLU A 55 -13.702 -12.802 3.004 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.678 -14.608 2.844 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -14.678 -14.869 2.557 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.653 -16.288 2.470 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -12.727 -15.742 4.717 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.780 -14.344 4.803 1.00 0.00 H new ATOM 875 N ALA A 56 -13.182 -14.299 -0.069 1.00 0.00 N ATOM 876 CA ALA A 56 -13.060 -14.598 -1.490 1.00 0.00 C ATOM 877 C ALA A 56 -12.182 -13.569 -2.194 1.00 0.00 C ATOM 878 O ALA A 56 -11.325 -13.921 -3.005 1.00 0.00 O ATOM 879 CB ALA A 56 -14.436 -14.652 -2.138 1.00 0.00 C ATOM 0 H ALA A 56 -13.944 -13.662 0.164 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.584 -15.573 -1.591 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -14.330 -14.876 -3.199 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -15.033 -15.429 -1.661 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.932 -13.689 -2.019 1.00 0.00 H new ATOM 885 N ARG A 57 -12.401 -12.296 -1.879 1.00 0.00 N ATOM 886 CA ARG A 57 -11.630 -11.216 -2.483 1.00 0.00 C ATOM 887 C ARG A 57 -10.133 -11.460 -2.320 1.00 0.00 C ATOM 888 O ARG A 57 -9.385 -11.462 -3.297 1.00 0.00 O ATOM 889 CB ARG A 57 -12.011 -9.875 -1.853 1.00 0.00 C ATOM 890 CG ARG A 57 -13.467 -9.495 -2.064 1.00 0.00 C ATOM 891 CD ARG A 57 -13.742 -9.126 -3.514 1.00 0.00 C ATOM 892 NE ARG A 57 -13.363 -7.747 -3.809 1.00 0.00 N ATOM 893 CZ ARG A 57 -14.000 -6.689 -3.319 1.00 0.00 C ATOM 894 NH1 ARG A 57 -15.040 -6.852 -2.513 1.00 0.00 N ATOM 895 NH2 ARG A 57 -13.595 -5.465 -3.634 1.00 0.00 N ATOM 0 H ARG A 57 -13.106 -11.988 -1.209 1.00 0.00 H new ATOM 0 HA ARG A 57 -11.862 -11.188 -3.548 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -11.806 -9.914 -0.783 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -11.376 -9.094 -2.271 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -14.107 -10.327 -1.771 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.722 -8.654 -1.419 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.193 -9.801 -4.170 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -14.802 -9.265 -3.729 1.00 0.00 H new ATOM 0 HE ARG A 57 -12.566 -7.587 -4.425 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -15.353 -7.791 -2.268 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -15.527 -6.038 -2.138 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.794 -5.336 -4.253 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.084 -4.653 -3.258 1.00 0.00 H new ATOM 909 N ASN A 58 -9.703 -11.665 -1.079 1.00 0.00 N ATOM 910 CA ASN A 58 -8.295 -11.909 -0.789 1.00 0.00 C ATOM 911 C ASN A 58 -8.109 -12.368 0.654 1.00 0.00 C ATOM 912 O ASN A 58 -8.821 -11.924 1.556 1.00 0.00 O ATOM 913 CB ASN A 58 -7.474 -10.643 -1.042 1.00 0.00 C ATOM 914 CG ASN A 58 -5.986 -10.925 -1.120 1.00 0.00 C ATOM 915 OD1 ASN A 58 -5.235 -10.616 -0.195 1.00 0.00 O ATOM 916 ND2 ASN A 58 -5.553 -11.515 -2.228 1.00 0.00 N ATOM 0 H ASN A 58 -10.309 -11.667 -0.259 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.945 -12.700 -1.452 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -7.803 -10.180 -1.973 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -7.664 -9.925 -0.244 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.562 -11.730 -2.338 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -6.212 -11.753 -2.970 1.00 0.00 H new ATOM 1031 N VAL A 66 5.650 -12.289 -10.589 1.00 0.00 N ATOM 1032 CA VAL A 66 6.758 -11.393 -10.897 1.00 0.00 C ATOM 1033 C VAL A 66 6.618 -10.807 -12.298 1.00 0.00 C ATOM 1034 O VAL A 66 5.817 -11.282 -13.104 1.00 0.00 O ATOM 1035 CB VAL A 66 8.112 -12.117 -10.788 1.00 0.00 C ATOM 1036 CG1 VAL A 66 8.361 -12.574 -9.359 1.00 0.00 C ATOM 1037 CG2 VAL A 66 8.165 -13.295 -11.750 1.00 0.00 C ATOM 0 HA VAL A 66 6.726 -10.587 -10.164 1.00 0.00 H new ATOM 0 HB VAL A 66 8.901 -11.417 -11.062 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.323 -13.084 -9.302 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.369 -11.709 -8.696 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.570 -13.258 -9.053 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.129 -13.795 -11.660 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.367 -13.998 -11.509 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.036 -12.937 -12.771 1.00 0.00 H new ATOM 1047 N PHE A 67 7.402 -9.773 -12.582 1.00 0.00 N ATOM 1048 CA PHE A 67 7.366 -9.122 -13.886 1.00 0.00 C ATOM 1049 C PHE A 67 8.673 -9.345 -14.642 1.00 0.00 C ATOM 1050 O PHE A 67 9.737 -9.483 -14.039 1.00 0.00 O ATOM 1051 CB PHE A 67 7.108 -7.622 -13.724 1.00 0.00 C ATOM 1052 CG PHE A 67 5.776 -7.307 -13.104 1.00 0.00 C ATOM 1053 CD1 PHE A 67 5.507 -7.659 -11.792 1.00 0.00 C ATOM 1054 CD2 PHE A 67 4.793 -6.659 -13.835 1.00 0.00 C ATOM 1055 CE1 PHE A 67 4.283 -7.370 -11.218 1.00 0.00 C ATOM 1056 CE2 PHE A 67 3.568 -6.368 -13.268 1.00 0.00 C ATOM 1057 CZ PHE A 67 3.312 -6.724 -11.958 1.00 0.00 C ATOM 0 H PHE A 67 8.070 -9.368 -11.927 1.00 0.00 H new ATOM 0 HA PHE A 67 6.553 -9.564 -14.462 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.897 -7.190 -13.109 1.00 0.00 H new ATOM 0 HB3 PHE A 67 7.167 -7.143 -14.702 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.263 -8.166 -11.210 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.987 -6.378 -14.860 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.086 -7.649 -10.193 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.810 -5.862 -13.848 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.354 -6.498 -11.513 1.00 0.00 H new ATOM 1067 N THR A 68 8.583 -9.380 -15.968 1.00 0.00 N ATOM 1068 CA THR A 68 9.756 -9.589 -16.808 1.00 0.00 C ATOM 1069 C THR A 68 10.049 -8.359 -17.659 1.00 0.00 C ATOM 1070 O THR A 68 9.159 -7.822 -18.320 1.00 0.00 O ATOM 1071 CB THR A 68 9.576 -10.808 -17.732 1.00 0.00 C ATOM 1072 OG1 THR A 68 9.370 -11.989 -16.951 1.00 0.00 O ATOM 1073 CG2 THR A 68 10.792 -10.992 -18.628 1.00 0.00 C ATOM 0 H THR A 68 7.710 -9.266 -16.483 1.00 0.00 H new ATOM 0 HA THR A 68 10.596 -9.772 -16.138 1.00 0.00 H new ATOM 0 HB THR A 68 8.703 -10.633 -18.361 1.00 0.00 H new ATOM 0 HG1 THR A 68 9.255 -12.759 -17.546 1.00 0.00 H new ATOM 0 HG21 THR A 68 10.642 -11.859 -19.272 1.00 0.00 H new ATOM 0 HG22 THR A 68 10.929 -10.103 -19.243 1.00 0.00 H new ATOM 0 HG23 THR A 68 11.678 -11.147 -18.012 1.00 0.00 H new ATOM 1081 N CYS A 69 11.301 -7.915 -17.639 1.00 0.00 N ATOM 1082 CA CYS A 69 11.712 -6.748 -18.409 1.00 0.00 C ATOM 1083 C CYS A 69 11.477 -6.970 -19.901 1.00 0.00 C ATOM 1084 O CYS A 69 11.086 -8.058 -20.323 1.00 0.00 O ATOM 1085 CB CYS A 69 13.189 -6.437 -18.156 1.00 0.00 C ATOM 1086 SG CYS A 69 13.652 -4.706 -18.485 1.00 0.00 S ATOM 0 H CYS A 69 12.049 -8.347 -17.097 1.00 0.00 H new ATOM 0 HA CYS A 69 11.108 -5.900 -18.085 1.00 0.00 H new ATOM 0 HB2 CYS A 69 13.427 -6.675 -17.119 1.00 0.00 H new ATOM 0 HB3 CYS A 69 13.799 -7.090 -18.780 1.00 0.00 H new ATOM 0 HG CYS A 69 14.693 -4.676 -19.263 1.00 0.00 H new ATOM 1091 N SER A 70 11.719 -5.930 -20.693 1.00 0.00 N ATOM 1092 CA SER A 70 11.530 -6.010 -22.137 1.00 0.00 C ATOM 1093 C SER A 70 12.855 -5.824 -22.869 1.00 0.00 C ATOM 1094 O SER A 70 12.909 -5.862 -24.099 1.00 0.00 O ATOM 1095 CB SER A 70 10.525 -4.953 -22.600 1.00 0.00 C ATOM 1096 OG SER A 70 10.112 -5.192 -23.935 1.00 0.00 O ATOM 0 H SER A 70 12.046 -5.023 -20.360 1.00 0.00 H new ATOM 0 HA SER A 70 11.140 -7.000 -22.374 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.657 -4.959 -21.941 1.00 0.00 H new ATOM 0 HB3 SER A 70 10.974 -3.963 -22.527 1.00 0.00 H new ATOM 0 HG SER A 70 10.882 -5.479 -24.469 1.00 0.00 H new ATOM 1102 N VAL A 71 13.923 -5.621 -22.104 1.00 0.00 N ATOM 1103 CA VAL A 71 15.250 -5.430 -22.679 1.00 0.00 C ATOM 1104 C VAL A 71 16.218 -6.505 -22.197 1.00 0.00 C ATOM 1105 O VAL A 71 16.922 -7.125 -22.994 1.00 0.00 O ATOM 1106 CB VAL A 71 15.821 -4.045 -22.323 1.00 0.00 C ATOM 1107 CG1 VAL A 71 17.183 -3.846 -22.971 1.00 0.00 C ATOM 1108 CG2 VAL A 71 14.855 -2.947 -22.745 1.00 0.00 C ATOM 0 H VAL A 71 13.896 -5.585 -21.085 1.00 0.00 H new ATOM 0 HA VAL A 71 15.140 -5.503 -23.761 1.00 0.00 H new ATOM 0 HB VAL A 71 15.949 -3.990 -21.242 1.00 0.00 H new ATOM 0 HG11 VAL A 71 17.571 -2.862 -22.708 1.00 0.00 H new ATOM 0 HG12 VAL A 71 17.871 -4.614 -22.616 1.00 0.00 H new ATOM 0 HG13 VAL A 71 17.085 -3.920 -24.054 1.00 0.00 H new ATOM 0 HG21 VAL A 71 15.274 -1.975 -22.486 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.694 -2.998 -23.822 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.904 -3.081 -22.230 1.00 0.00 H new ATOM 1118 N CYS A 72 16.247 -6.723 -20.886 1.00 0.00 N ATOM 1119 CA CYS A 72 17.128 -7.723 -20.296 1.00 0.00 C ATOM 1120 C CYS A 72 16.322 -8.868 -19.689 1.00 0.00 C ATOM 1121 O CYS A 72 16.886 -9.836 -19.180 1.00 0.00 O ATOM 1122 CB CYS A 72 18.013 -7.085 -19.224 1.00 0.00 C ATOM 1123 SG CYS A 72 17.088 -6.323 -17.852 1.00 0.00 S ATOM 0 H CYS A 72 15.670 -6.220 -20.212 1.00 0.00 H new ATOM 0 HA CYS A 72 17.760 -8.126 -21.088 1.00 0.00 H new ATOM 0 HB2 CYS A 72 18.681 -7.846 -18.819 1.00 0.00 H new ATOM 0 HB3 CYS A 72 18.640 -6.326 -19.691 1.00 0.00 H new ATOM 0 HG CYS A 72 15.947 -5.882 -18.291 1.00 0.00 H new ATOM 1128 N GLN A 73 14.999 -8.749 -19.749 1.00 0.00 N ATOM 1129 CA GLN A 73 14.116 -9.774 -19.205 1.00 0.00 C ATOM 1130 C GLN A 73 14.357 -9.964 -17.711 1.00 0.00 C ATOM 1131 O GLN A 73 14.281 -11.080 -17.198 1.00 0.00 O ATOM 1132 CB GLN A 73 14.324 -11.099 -19.940 1.00 0.00 C ATOM 1133 CG GLN A 73 14.259 -10.972 -21.453 1.00 0.00 C ATOM 1134 CD GLN A 73 13.125 -10.079 -21.916 1.00 0.00 C ATOM 1135 OE1 GLN A 73 13.450 -8.835 -22.250 1.00 0.00 O flip ATOM 1136 NE2 GLN A 73 11.970 -10.502 -21.973 1.00 0.00 N flip ATOM 0 H GLN A 73 14.516 -7.954 -20.168 1.00 0.00 H new ATOM 0 HA GLN A 73 13.087 -9.445 -19.349 1.00 0.00 H new ATOM 0 HB2 GLN A 73 15.293 -11.512 -19.660 1.00 0.00 H new ATOM 0 HB3 GLN A 73 13.567 -11.810 -19.611 1.00 0.00 H new ATOM 0 HG2 GLN A 73 15.204 -10.573 -21.821 1.00 0.00 H new ATOM 0 HG3 GLN A 73 14.139 -11.962 -21.892 1.00 0.00 H new ATOM 0 HE21 GLN A 73 11.766 -11.465 -21.707 1.00 0.00 H new ATOM 0 HE22 GLN A 73 11.217 -9.889 -22.287 1.00 0.00 H new ATOM 1145 N GLU A 74 14.648 -8.867 -17.019 1.00 0.00 N ATOM 1146 CA GLU A 74 14.901 -8.914 -15.584 1.00 0.00 C ATOM 1147 C GLU A 74 13.676 -9.425 -14.832 1.00 0.00 C ATOM 1148 O GLU A 74 12.643 -9.722 -15.433 1.00 0.00 O ATOM 1149 CB GLU A 74 15.290 -7.528 -15.066 1.00 0.00 C ATOM 1150 CG GLU A 74 16.274 -7.564 -13.909 1.00 0.00 C ATOM 1151 CD GLU A 74 17.341 -8.628 -14.083 1.00 0.00 C ATOM 1152 OE1 GLU A 74 17.084 -9.792 -13.714 1.00 0.00 O ATOM 1153 OE2 GLU A 74 18.433 -8.294 -14.590 1.00 0.00 O ATOM 0 H GLU A 74 14.714 -7.935 -17.429 1.00 0.00 H new ATOM 0 HA GLU A 74 15.727 -9.604 -15.409 1.00 0.00 H new ATOM 0 HB2 GLU A 74 15.725 -6.953 -15.884 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.389 -7.002 -14.750 1.00 0.00 H new ATOM 0 HG2 GLU A 74 16.751 -6.589 -13.812 1.00 0.00 H new ATOM 0 HG3 GLU A 74 15.732 -7.747 -12.981 1.00 0.00 H new ATOM 1160 N THR A 75 13.798 -9.525 -13.512 1.00 0.00 N ATOM 1161 CA THR A 75 12.703 -10.001 -12.677 1.00 0.00 C ATOM 1162 C THR A 75 12.340 -8.976 -11.609 1.00 0.00 C ATOM 1163 O THR A 75 13.207 -8.483 -10.886 1.00 0.00 O ATOM 1164 CB THR A 75 13.057 -11.335 -11.992 1.00 0.00 C ATOM 1165 OG1 THR A 75 14.339 -11.237 -11.363 1.00 0.00 O ATOM 1166 CG2 THR A 75 13.066 -12.474 -13.000 1.00 0.00 C ATOM 0 H THR A 75 14.645 -9.282 -12.998 1.00 0.00 H new ATOM 0 HA THR A 75 11.848 -10.155 -13.335 1.00 0.00 H new ATOM 0 HB THR A 75 12.298 -11.544 -11.238 1.00 0.00 H new ATOM 0 HG1 THR A 75 14.556 -12.088 -10.928 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.318 -13.406 -12.494 1.00 0.00 H new ATOM 0 HG22 THR A 75 12.080 -12.564 -13.456 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.806 -12.269 -13.774 1.00 0.00 H new ATOM 1174 N PHE A 76 11.053 -8.657 -11.513 1.00 0.00 N ATOM 1175 CA PHE A 76 10.576 -7.689 -10.532 1.00 0.00 C ATOM 1176 C PHE A 76 9.329 -8.207 -9.820 1.00 0.00 C ATOM 1177 O PHE A 76 8.293 -8.431 -10.445 1.00 0.00 O ATOM 1178 CB PHE A 76 10.272 -6.352 -11.211 1.00 0.00 C ATOM 1179 CG PHE A 76 11.327 -5.923 -12.190 1.00 0.00 C ATOM 1180 CD1 PHE A 76 11.336 -6.422 -13.482 1.00 0.00 C ATOM 1181 CD2 PHE A 76 12.310 -5.020 -11.817 1.00 0.00 C ATOM 1182 CE1 PHE A 76 12.305 -6.029 -14.386 1.00 0.00 C ATOM 1183 CE2 PHE A 76 13.281 -4.623 -12.717 1.00 0.00 C ATOM 1184 CZ PHE A 76 13.280 -5.129 -14.002 1.00 0.00 C ATOM 0 H PHE A 76 10.322 -9.055 -12.103 1.00 0.00 H new ATOM 0 HA PHE A 76 11.361 -7.542 -9.791 1.00 0.00 H new ATOM 0 HB2 PHE A 76 9.316 -6.426 -11.729 1.00 0.00 H new ATOM 0 HB3 PHE A 76 10.162 -5.582 -10.447 1.00 0.00 H new ATOM 0 HD1 PHE A 76 10.577 -7.127 -13.787 1.00 0.00 H new ATOM 0 HD2 PHE A 76 12.317 -4.622 -10.813 1.00 0.00 H new ATOM 0 HE1 PHE A 76 12.300 -6.425 -15.391 1.00 0.00 H new ATOM 0 HE2 PHE A 76 14.041 -3.917 -12.415 1.00 0.00 H new ATOM 0 HZ PHE A 76 14.040 -4.822 -14.705 1.00 0.00 H new ATOM 1194 N ARG A 77 9.439 -8.393 -8.509 1.00 0.00 N ATOM 1195 CA ARG A 77 8.322 -8.886 -7.711 1.00 0.00 C ATOM 1196 C ARG A 77 7.073 -8.041 -7.945 1.00 0.00 C ATOM 1197 O ARG A 77 5.952 -8.546 -7.893 1.00 0.00 O ATOM 1198 CB ARG A 77 8.686 -8.877 -6.226 1.00 0.00 C ATOM 1199 CG ARG A 77 9.036 -7.497 -5.692 1.00 0.00 C ATOM 1200 CD ARG A 77 10.518 -7.198 -5.852 1.00 0.00 C ATOM 1201 NE ARG A 77 10.983 -6.205 -4.887 1.00 0.00 N ATOM 1202 CZ ARG A 77 11.394 -6.508 -3.661 1.00 0.00 C ATOM 1203 NH1 ARG A 77 11.399 -7.770 -3.253 1.00 0.00 N ATOM 1204 NH2 ARG A 77 11.803 -5.549 -2.840 1.00 0.00 N ATOM 0 H ARG A 77 10.290 -8.210 -7.977 1.00 0.00 H new ATOM 0 HA ARG A 77 8.111 -9.910 -8.020 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.849 -9.277 -5.653 1.00 0.00 H new ATOM 0 HB3 ARG A 77 9.532 -9.545 -6.064 1.00 0.00 H new ATOM 0 HG2 ARG A 77 8.452 -6.743 -6.220 1.00 0.00 H new ATOM 0 HG3 ARG A 77 8.762 -7.433 -4.639 1.00 0.00 H new ATOM 0 HD2 ARG A 77 11.089 -8.118 -5.729 1.00 0.00 H new ATOM 0 HD3 ARG A 77 10.708 -6.838 -6.863 1.00 0.00 H new ATOM 0 HE ARG A 77 10.993 -5.225 -5.170 1.00 0.00 H new ATOM 0 HH11 ARG A 77 11.087 -8.510 -3.881 1.00 0.00 H new ATOM 0 HH12 ARG A 77 11.715 -8.000 -2.311 1.00 0.00 H new ATOM 0 HH21 ARG A 77 11.802 -4.577 -3.150 1.00 0.00 H new ATOM 0 HH22 ARG A 77 12.118 -5.784 -1.899 1.00 0.00 H new ATOM 1218 N ARG A 78 7.276 -6.753 -8.202 1.00 0.00 N ATOM 1219 CA ARG A 78 6.166 -5.838 -8.442 1.00 0.00 C ATOM 1220 C ARG A 78 6.329 -5.125 -9.781 1.00 0.00 C ATOM 1221 O ARG A 78 7.378 -5.214 -10.419 1.00 0.00 O ATOM 1222 CB ARG A 78 6.072 -4.810 -7.313 1.00 0.00 C ATOM 1223 CG ARG A 78 5.882 -5.431 -5.939 1.00 0.00 C ATOM 1224 CD ARG A 78 5.996 -4.389 -4.837 1.00 0.00 C ATOM 1225 NE ARG A 78 5.711 -4.952 -3.520 1.00 0.00 N ATOM 1226 CZ ARG A 78 5.417 -4.217 -2.453 1.00 0.00 C ATOM 1227 NH1 ARG A 78 5.369 -2.895 -2.549 1.00 0.00 N ATOM 1228 NH2 ARG A 78 5.170 -4.803 -1.289 1.00 0.00 N ATOM 0 H ARG A 78 8.198 -6.320 -8.249 1.00 0.00 H new ATOM 0 HA ARG A 78 5.246 -6.422 -8.470 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.979 -4.205 -7.307 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.240 -4.135 -7.516 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.905 -5.911 -5.887 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.629 -6.210 -5.784 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.001 -3.966 -4.841 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.305 -3.571 -5.039 1.00 0.00 H new ATOM 0 HE ARG A 78 5.739 -5.966 -3.413 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.558 -2.441 -3.443 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.143 -2.332 -1.729 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.206 -5.819 -1.212 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.944 -4.237 -0.471 1.00 0.00 H new ATOM 1242 N ARG A 79 5.285 -4.419 -10.201 1.00 0.00 N ATOM 1243 CA ARG A 79 5.312 -3.692 -11.465 1.00 0.00 C ATOM 1244 C ARG A 79 6.107 -2.397 -11.330 1.00 0.00 C ATOM 1245 O ARG A 79 7.100 -2.192 -12.027 1.00 0.00 O ATOM 1246 CB ARG A 79 3.887 -3.383 -11.930 1.00 0.00 C ATOM 1247 CG ARG A 79 3.829 -2.547 -13.198 1.00 0.00 C ATOM 1248 CD ARG A 79 4.339 -3.324 -14.401 1.00 0.00 C ATOM 1249 NE ARG A 79 3.267 -4.043 -15.083 1.00 0.00 N ATOM 1250 CZ ARG A 79 3.424 -4.668 -16.245 1.00 0.00 C ATOM 1251 NH1 ARG A 79 4.604 -4.662 -16.850 1.00 0.00 N ATOM 1252 NH2 ARG A 79 2.401 -5.301 -16.803 1.00 0.00 N ATOM 0 H ARG A 79 4.409 -4.335 -9.685 1.00 0.00 H new ATOM 0 HA ARG A 79 5.801 -4.322 -12.208 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.357 -4.321 -12.098 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.360 -2.858 -11.134 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.802 -2.228 -13.378 1.00 0.00 H new ATOM 0 HG3 ARG A 79 4.425 -1.644 -13.067 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.817 -2.637 -15.100 1.00 0.00 H new ATOM 0 HD3 ARG A 79 5.102 -4.032 -14.078 1.00 0.00 H new ATOM 0 HE ARG A 79 2.347 -4.067 -14.643 1.00 0.00 H new ATOM 0 HH11 ARG A 79 5.393 -4.177 -16.423 1.00 0.00 H new ATOM 0 HH12 ARG A 79 4.722 -5.142 -17.742 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.492 -5.309 -16.340 1.00 0.00 H new ATOM 0 HH22 ARG A 79 2.523 -5.780 -17.695 1.00 0.00 H new ATOM 1266 N MET A 80 5.661 -1.526 -10.430 1.00 0.00 N ATOM 1267 CA MET A 80 6.332 -0.251 -10.204 1.00 0.00 C ATOM 1268 C MET A 80 7.844 -0.401 -10.338 1.00 0.00 C ATOM 1269 O MET A 80 8.484 0.328 -11.096 1.00 0.00 O ATOM 1270 CB MET A 80 5.983 0.295 -8.819 1.00 0.00 C ATOM 1271 CG MET A 80 6.519 1.694 -8.564 1.00 0.00 C ATOM 1272 SD MET A 80 5.395 2.984 -9.133 1.00 0.00 S ATOM 1273 CE MET A 80 6.126 3.396 -10.715 1.00 0.00 C ATOM 0 H MET A 80 4.839 -1.680 -9.846 1.00 0.00 H new ATOM 0 HA MET A 80 5.986 0.452 -10.961 1.00 0.00 H new ATOM 0 HB2 MET A 80 4.899 0.304 -8.704 1.00 0.00 H new ATOM 0 HB3 MET A 80 6.379 -0.381 -8.061 1.00 0.00 H new ATOM 0 HG2 MET A 80 6.700 1.820 -7.497 1.00 0.00 H new ATOM 0 HG3 MET A 80 7.480 1.808 -9.066 1.00 0.00 H new ATOM 0 HE1 MET A 80 6.285 4.473 -10.773 1.00 0.00 H new ATOM 0 HE2 MET A 80 7.082 2.882 -10.819 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.457 3.084 -11.517 1.00 0.00 H new ATOM 1283 N GLU A 81 8.408 -1.350 -9.598 1.00 0.00 N ATOM 1284 CA GLU A 81 9.846 -1.593 -9.635 1.00 0.00 C ATOM 1285 C GLU A 81 10.358 -1.611 -11.072 1.00 0.00 C ATOM 1286 O GLU A 81 11.355 -0.964 -11.396 1.00 0.00 O ATOM 1287 CB GLU A 81 10.179 -2.918 -8.946 1.00 0.00 C ATOM 1288 CG GLU A 81 9.673 -3.004 -7.516 1.00 0.00 C ATOM 1289 CD GLU A 81 10.335 -1.992 -6.600 1.00 0.00 C ATOM 1290 OE1 GLU A 81 11.576 -2.031 -6.471 1.00 0.00 O ATOM 1291 OE2 GLU A 81 9.610 -1.162 -6.013 1.00 0.00 O ATOM 0 H GLU A 81 7.892 -1.963 -8.966 1.00 0.00 H new ATOM 0 HA GLU A 81 10.340 -0.780 -9.102 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.750 -3.736 -9.524 1.00 0.00 H new ATOM 0 HB3 GLU A 81 11.260 -3.058 -8.949 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.595 -2.846 -7.506 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.852 -4.008 -7.131 1.00 0.00 H new ATOM 1298 N LEU A 82 9.670 -2.357 -11.929 1.00 0.00 N ATOM 1299 CA LEU A 82 10.055 -2.461 -13.333 1.00 0.00 C ATOM 1300 C LEU A 82 10.113 -1.084 -13.985 1.00 0.00 C ATOM 1301 O LEU A 82 11.043 -0.778 -14.732 1.00 0.00 O ATOM 1302 CB LEU A 82 9.068 -3.354 -14.087 1.00 0.00 C ATOM 1303 CG LEU A 82 9.234 -3.404 -15.606 1.00 0.00 C ATOM 1304 CD1 LEU A 82 10.651 -3.816 -15.975 1.00 0.00 C ATOM 1305 CD2 LEU A 82 8.223 -4.359 -16.222 1.00 0.00 C ATOM 0 H LEU A 82 8.843 -2.899 -11.677 1.00 0.00 H new ATOM 0 HA LEU A 82 11.049 -2.907 -13.380 1.00 0.00 H new ATOM 0 HB2 LEU A 82 9.157 -4.368 -13.698 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.057 -3.014 -13.863 1.00 0.00 H new ATOM 0 HG LEU A 82 9.052 -2.406 -16.005 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.750 -3.846 -17.060 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.358 -3.094 -15.566 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.862 -4.803 -15.564 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.356 -4.382 -17.304 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.374 -5.360 -15.817 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.214 -4.021 -15.988 1.00 0.00 H new ATOM 1317 N ARG A 83 9.115 -0.255 -13.696 1.00 0.00 N ATOM 1318 CA ARG A 83 9.053 1.091 -14.254 1.00 0.00 C ATOM 1319 C ARG A 83 10.300 1.889 -13.886 1.00 0.00 C ATOM 1320 O ARG A 83 10.857 2.609 -14.716 1.00 0.00 O ATOM 1321 CB ARG A 83 7.803 1.816 -13.753 1.00 0.00 C ATOM 1322 CG ARG A 83 6.521 1.023 -13.943 1.00 0.00 C ATOM 1323 CD ARG A 83 6.120 0.955 -15.408 1.00 0.00 C ATOM 1324 NE ARG A 83 5.294 2.093 -15.803 1.00 0.00 N ATOM 1325 CZ ARG A 83 4.429 2.058 -16.810 1.00 0.00 C ATOM 1326 NH1 ARG A 83 4.276 0.949 -17.520 1.00 0.00 N ATOM 1327 NH2 ARG A 83 3.713 3.135 -17.109 1.00 0.00 N ATOM 0 H ARG A 83 8.338 -0.492 -13.079 1.00 0.00 H new ATOM 0 HA ARG A 83 9.004 1.006 -15.340 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.926 2.044 -12.694 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.712 2.768 -14.276 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.655 0.014 -13.554 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.719 1.483 -13.366 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.016 0.925 -16.028 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.574 0.030 -15.592 1.00 0.00 H new ATOM 0 HE ARG A 83 5.387 2.962 -15.277 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.824 0.119 -17.294 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.611 0.926 -18.293 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.827 3.990 -16.565 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.049 3.107 -17.883 1.00 0.00 H new ATOM 1341 N LEU A 84 10.733 1.758 -12.637 1.00 0.00 N ATOM 1342 CA LEU A 84 11.914 2.468 -12.158 1.00 0.00 C ATOM 1343 C LEU A 84 13.190 1.827 -12.697 1.00 0.00 C ATOM 1344 O LEU A 84 14.273 2.406 -12.606 1.00 0.00 O ATOM 1345 CB LEU A 84 11.942 2.478 -10.629 1.00 0.00 C ATOM 1346 CG LEU A 84 10.585 2.597 -9.933 1.00 0.00 C ATOM 1347 CD1 LEU A 84 10.758 2.597 -8.423 1.00 0.00 C ATOM 1348 CD2 LEU A 84 9.861 3.855 -10.389 1.00 0.00 C ATOM 0 H LEU A 84 10.284 1.167 -11.938 1.00 0.00 H new ATOM 0 HA LEU A 84 11.863 3.494 -12.521 1.00 0.00 H new ATOM 0 HB2 LEU A 84 12.423 1.561 -10.288 1.00 0.00 H new ATOM 0 HB3 LEU A 84 12.569 3.308 -10.303 1.00 0.00 H new ATOM 0 HG LEU A 84 9.980 1.733 -10.208 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.782 2.682 -7.945 1.00 0.00 H new ATOM 0 HD12 LEU A 84 11.235 1.668 -8.111 1.00 0.00 H new ATOM 0 HD13 LEU A 84 11.381 3.441 -8.128 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.898 3.924 -9.884 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.463 4.730 -10.144 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.703 3.814 -11.467 1.00 0.00 H new ATOM 1360 N HIS A 85 13.053 0.631 -13.259 1.00 0.00 N ATOM 1361 CA HIS A 85 14.194 -0.087 -13.816 1.00 0.00 C ATOM 1362 C HIS A 85 14.387 0.257 -15.290 1.00 0.00 C ATOM 1363 O HIS A 85 15.506 0.498 -15.739 1.00 0.00 O ATOM 1364 CB HIS A 85 14.004 -1.595 -13.652 1.00 0.00 C ATOM 1365 CG HIS A 85 14.924 -2.411 -14.507 1.00 0.00 C ATOM 1366 ND1 HIS A 85 16.163 -2.841 -14.082 1.00 0.00 N ATOM 1367 CD2 HIS A 85 14.779 -2.878 -15.770 1.00 0.00 C ATOM 1368 CE1 HIS A 85 16.741 -3.535 -15.046 1.00 0.00 C ATOM 1369 NE2 HIS A 85 15.922 -3.572 -16.081 1.00 0.00 N ATOM 0 H HIS A 85 12.164 0.138 -13.341 1.00 0.00 H new ATOM 0 HA HIS A 85 15.086 0.220 -13.271 1.00 0.00 H new ATOM 0 HB2 HIS A 85 14.161 -1.861 -12.607 1.00 0.00 H new ATOM 0 HB3 HIS A 85 12.973 -1.852 -13.895 1.00 0.00 H new ATOM 0 HD2 HIS A 85 13.924 -2.732 -16.413 1.00 0.00 H new ATOM 0 HE1 HIS A 85 17.717 -3.994 -14.996 1.00 0.00 H new ATOM 0 HE2 HIS A 85 16.108 -4.040 -16.968 1.00 0.00 H new ATOM 1377 N MET A 86 13.287 0.276 -16.036 1.00 0.00 N ATOM 1378 CA MET A 86 13.335 0.591 -17.459 1.00 0.00 C ATOM 1379 C MET A 86 14.129 1.870 -17.706 1.00 0.00 C ATOM 1380 O MET A 86 14.810 2.003 -18.723 1.00 0.00 O ATOM 1381 CB MET A 86 11.919 0.739 -18.019 1.00 0.00 C ATOM 1382 CG MET A 86 11.082 -0.524 -17.895 1.00 0.00 C ATOM 1383 SD MET A 86 11.055 -1.491 -19.417 1.00 0.00 S ATOM 1384 CE MET A 86 12.789 -1.905 -19.585 1.00 0.00 C ATOM 0 H MET A 86 12.352 0.077 -15.679 1.00 0.00 H new ATOM 0 HA MET A 86 13.836 -0.231 -17.971 1.00 0.00 H new ATOM 0 HB2 MET A 86 11.414 1.552 -17.498 1.00 0.00 H new ATOM 0 HB3 MET A 86 11.980 1.023 -19.070 1.00 0.00 H new ATOM 0 HG2 MET A 86 11.476 -1.138 -17.086 1.00 0.00 H new ATOM 0 HG3 MET A 86 10.062 -0.254 -17.622 1.00 0.00 H new ATOM 0 HE1 MET A 86 12.894 -2.777 -20.230 1.00 0.00 H new ATOM 0 HE2 MET A 86 13.323 -1.062 -20.024 1.00 0.00 H new ATOM 0 HE3 MET A 86 13.207 -2.128 -18.603 1.00 0.00 H new ATOM 1394 N VAL A 87 14.036 2.809 -16.770 1.00 0.00 N ATOM 1395 CA VAL A 87 14.745 4.078 -16.886 1.00 0.00 C ATOM 1396 C VAL A 87 16.222 3.855 -17.194 1.00 0.00 C ATOM 1397 O VAL A 87 16.851 4.659 -17.882 1.00 0.00 O ATOM 1398 CB VAL A 87 14.621 4.911 -15.597 1.00 0.00 C ATOM 1399 CG1 VAL A 87 13.177 4.945 -15.120 1.00 0.00 C ATOM 1400 CG2 VAL A 87 15.535 4.356 -14.515 1.00 0.00 C ATOM 0 H VAL A 87 13.476 2.715 -15.922 1.00 0.00 H new ATOM 0 HA VAL A 87 14.283 4.625 -17.708 1.00 0.00 H new ATOM 0 HB VAL A 87 14.931 5.933 -15.814 1.00 0.00 H new ATOM 0 HG11 VAL A 87 13.109 5.538 -14.208 1.00 0.00 H new ATOM 0 HG12 VAL A 87 12.549 5.392 -15.891 1.00 0.00 H new ATOM 0 HG13 VAL A 87 12.836 3.929 -14.918 1.00 0.00 H new ATOM 0 HG21 VAL A 87 15.435 4.957 -13.611 1.00 0.00 H new ATOM 0 HG22 VAL A 87 15.257 3.324 -14.298 1.00 0.00 H new ATOM 0 HG23 VAL A 87 16.569 4.389 -14.860 1.00 0.00 H new ATOM 1410 N SER A 88 16.769 2.758 -16.680 1.00 0.00 N ATOM 1411 CA SER A 88 18.173 2.431 -16.897 1.00 0.00 C ATOM 1412 C SER A 88 18.433 2.097 -18.363 1.00 0.00 C ATOM 1413 O SER A 88 19.538 2.292 -18.870 1.00 0.00 O ATOM 1414 CB SER A 88 18.586 1.252 -16.014 1.00 0.00 C ATOM 1415 OG SER A 88 18.919 1.687 -14.707 1.00 0.00 O ATOM 0 H SER A 88 16.261 2.081 -16.111 1.00 0.00 H new ATOM 0 HA SER A 88 18.769 3.304 -16.629 1.00 0.00 H new ATOM 0 HB2 SER A 88 17.772 0.528 -15.964 1.00 0.00 H new ATOM 0 HB3 SER A 88 19.440 0.741 -16.459 1.00 0.00 H new ATOM 0 HG SER A 88 19.178 0.915 -14.161 1.00 0.00 H new ATOM 1421 N HIS A 89 17.406 1.594 -19.040 1.00 0.00 N ATOM 1422 CA HIS A 89 17.521 1.233 -20.449 1.00 0.00 C ATOM 1423 C HIS A 89 17.343 2.459 -21.340 1.00 0.00 C ATOM 1424 O HIS A 89 18.163 2.726 -22.219 1.00 0.00 O ATOM 1425 CB HIS A 89 16.484 0.169 -20.811 1.00 0.00 C ATOM 1426 CG HIS A 89 16.832 -1.200 -20.313 1.00 0.00 C ATOM 1427 ND1 HIS A 89 18.032 -1.820 -20.590 1.00 0.00 N ATOM 1428 CD2 HIS A 89 16.129 -2.069 -19.549 1.00 0.00 C ATOM 1429 CE1 HIS A 89 18.051 -3.011 -20.020 1.00 0.00 C ATOM 1430 NE2 HIS A 89 16.908 -3.187 -19.382 1.00 0.00 N ATOM 0 H HIS A 89 16.484 1.427 -18.636 1.00 0.00 H new ATOM 0 HA HIS A 89 18.519 0.827 -20.615 1.00 0.00 H new ATOM 0 HB2 HIS A 89 15.517 0.461 -20.401 1.00 0.00 H new ATOM 0 HB3 HIS A 89 16.373 0.135 -21.895 1.00 0.00 H new ATOM 0 HD2 HIS A 89 15.139 -1.912 -19.146 1.00 0.00 H new ATOM 0 HE1 HIS A 89 18.864 -3.721 -20.067 1.00 0.00 H new ATOM 0 HE2 HIS A 89 16.647 -4.018 -18.852 1.00 0.00 H new ATOM 1438 N THR A 90 16.264 3.201 -21.108 1.00 0.00 N ATOM 1439 CA THR A 90 15.977 4.397 -21.890 1.00 0.00 C ATOM 1440 C THR A 90 16.939 5.526 -21.542 1.00 0.00 C ATOM 1441 O THR A 90 17.471 6.197 -22.426 1.00 0.00 O ATOM 1442 CB THR A 90 14.532 4.881 -21.665 1.00 0.00 C ATOM 1443 OG1 THR A 90 14.300 6.087 -22.401 1.00 0.00 O ATOM 1444 CG2 THR A 90 14.266 5.124 -20.187 1.00 0.00 C ATOM 0 H THR A 90 15.575 2.994 -20.385 1.00 0.00 H new ATOM 0 HA THR A 90 16.103 4.127 -22.938 1.00 0.00 H new ATOM 0 HB THR A 90 13.853 4.104 -22.017 1.00 0.00 H new ATOM 0 HG1 THR A 90 13.379 6.388 -22.254 1.00 0.00 H new ATOM 0 HG21 THR A 90 13.239 5.465 -20.053 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.415 4.197 -19.633 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.952 5.884 -19.814 1.00 0.00 H new ATOM 1452 N GLY A 91 17.160 5.731 -20.246 1.00 0.00 N ATOM 1453 CA GLY A 91 18.060 6.781 -19.804 1.00 0.00 C ATOM 1454 C GLY A 91 17.504 7.565 -18.632 1.00 0.00 C ATOM 1455 O GLY A 91 18.206 7.805 -17.650 1.00 0.00 O ATOM 0 H GLY A 91 16.732 5.189 -19.495 1.00 0.00 H new ATOM 0 HA2 GLY A 91 19.016 6.341 -19.522 1.00 0.00 H new ATOM 0 HA3 GLY A 91 18.255 7.461 -20.633 1.00 0.00 H new ATOM 1505 N TYR A 95 8.363 11.800 -16.956 1.00 0.00 N ATOM 1506 CA TYR A 95 7.784 12.763 -16.027 1.00 0.00 C ATOM 1507 C TYR A 95 8.674 12.939 -14.801 1.00 0.00 C ATOM 1508 O TYR A 95 9.331 11.999 -14.354 1.00 0.00 O ATOM 1509 CB TYR A 95 6.387 12.311 -15.596 1.00 0.00 C ATOM 1510 CG TYR A 95 5.437 12.096 -16.752 1.00 0.00 C ATOM 1511 CD1 TYR A 95 4.755 13.163 -17.323 1.00 0.00 C ATOM 1512 CD2 TYR A 95 5.220 10.826 -17.272 1.00 0.00 C ATOM 1513 CE1 TYR A 95 3.885 12.972 -18.379 1.00 0.00 C ATOM 1514 CE2 TYR A 95 4.353 10.626 -18.329 1.00 0.00 C ATOM 1515 CZ TYR A 95 3.688 11.702 -18.879 1.00 0.00 C ATOM 1516 OH TYR A 95 2.822 11.506 -19.930 1.00 0.00 O ATOM 0 HA TYR A 95 7.707 13.722 -16.539 1.00 0.00 H new ATOM 0 HB2 TYR A 95 6.473 11.384 -15.030 1.00 0.00 H new ATOM 0 HB3 TYR A 95 5.964 13.057 -14.923 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.908 14.159 -16.935 1.00 0.00 H new ATOM 0 HD2 TYR A 95 5.738 9.981 -16.843 1.00 0.00 H new ATOM 0 HE1 TYR A 95 3.362 13.813 -18.811 1.00 0.00 H new ATOM 0 HE2 TYR A 95 4.197 9.632 -18.722 1.00 0.00 H new ATOM 0 HH TYR A 95 2.799 10.554 -20.162 1.00 0.00 H new ATOM 1526 N LYS A 96 8.690 14.153 -14.259 1.00 0.00 N ATOM 1527 CA LYS A 96 9.498 14.456 -13.084 1.00 0.00 C ATOM 1528 C LYS A 96 8.866 15.577 -12.264 1.00 0.00 C ATOM 1529 O LYS A 96 8.312 16.527 -12.817 1.00 0.00 O ATOM 1530 CB LYS A 96 10.916 14.852 -13.501 1.00 0.00 C ATOM 1531 CG LYS A 96 11.899 13.694 -13.490 1.00 0.00 C ATOM 1532 CD LYS A 96 13.249 14.104 -14.055 1.00 0.00 C ATOM 1533 CE LYS A 96 13.964 12.926 -14.699 1.00 0.00 C ATOM 1534 NZ LYS A 96 15.443 13.032 -14.560 1.00 0.00 N ATOM 0 H LYS A 96 8.152 14.943 -14.615 1.00 0.00 H new ATOM 0 HA LYS A 96 9.546 13.559 -12.466 1.00 0.00 H new ATOM 0 HB2 LYS A 96 10.885 15.281 -14.502 1.00 0.00 H new ATOM 0 HB3 LYS A 96 11.278 15.632 -12.831 1.00 0.00 H new ATOM 0 HG2 LYS A 96 12.025 13.332 -12.470 1.00 0.00 H new ATOM 0 HG3 LYS A 96 11.495 12.867 -14.074 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.111 14.895 -14.792 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.868 14.516 -13.258 1.00 0.00 H new ATOM 0 HE2 LYS A 96 13.622 11.998 -14.240 1.00 0.00 H new ATOM 0 HE3 LYS A 96 13.701 12.875 -15.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 15.894 12.211 -15.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 15.773 13.904 -15.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 15.696 13.055 -13.552 1.00 0.00 H new ATOM 1548 N CYS A 97 8.954 15.460 -10.943 1.00 0.00 N ATOM 1549 CA CYS A 97 8.392 16.463 -10.047 1.00 0.00 C ATOM 1550 C CYS A 97 9.252 17.724 -10.035 1.00 0.00 C ATOM 1551 O CYS A 97 10.222 17.833 -10.784 1.00 0.00 O ATOM 1552 CB CYS A 97 8.272 15.901 -8.629 1.00 0.00 C ATOM 1553 SG CYS A 97 6.819 16.505 -7.711 1.00 0.00 S ATOM 0 H CYS A 97 9.410 14.680 -10.469 1.00 0.00 H new ATOM 0 HA CYS A 97 7.399 16.725 -10.412 1.00 0.00 H new ATOM 0 HB2 CYS A 97 8.228 14.813 -8.683 1.00 0.00 H new ATOM 0 HB3 CYS A 97 9.173 16.156 -8.071 1.00 0.00 H new ATOM 0 HG CYS A 97 5.917 16.920 -8.550 1.00 0.00 H new ATOM 1558 N SER A 98 8.888 18.673 -9.179 1.00 0.00 N ATOM 1559 CA SER A 98 9.623 19.928 -9.071 1.00 0.00 C ATOM 1560 C SER A 98 10.113 20.149 -7.643 1.00 0.00 C ATOM 1561 O SER A 98 11.266 20.519 -7.421 1.00 0.00 O ATOM 1562 CB SER A 98 8.740 21.100 -9.507 1.00 0.00 C ATOM 1563 OG SER A 98 8.754 21.252 -10.916 1.00 0.00 O ATOM 0 H SER A 98 8.089 18.597 -8.550 1.00 0.00 H new ATOM 0 HA SER A 98 10.490 19.871 -9.729 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.718 20.936 -9.166 1.00 0.00 H new ATOM 0 HB3 SER A 98 9.090 22.018 -9.035 1.00 0.00 H new ATOM 0 HG SER A 98 8.181 22.006 -11.169 1.00 0.00 H new ATOM 1569 N SER A 99 9.228 19.921 -6.678 1.00 0.00 N ATOM 1570 CA SER A 99 9.567 20.099 -5.271 1.00 0.00 C ATOM 1571 C SER A 99 10.522 19.006 -4.801 1.00 0.00 C ATOM 1572 O SER A 99 11.540 19.285 -4.167 1.00 0.00 O ATOM 1573 CB SER A 99 8.301 20.089 -4.414 1.00 0.00 C ATOM 1574 OG SER A 99 8.478 20.853 -3.234 1.00 0.00 O ATOM 0 H SER A 99 8.270 19.612 -6.845 1.00 0.00 H new ATOM 0 HA SER A 99 10.063 21.063 -5.161 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.466 20.490 -4.989 1.00 0.00 H new ATOM 0 HB3 SER A 99 8.044 19.063 -4.151 1.00 0.00 H new ATOM 0 HG SER A 99 7.654 20.832 -2.704 1.00 0.00 H new ATOM 1580 N CYS A 100 10.186 17.759 -5.116 1.00 0.00 N ATOM 1581 CA CYS A 100 11.011 16.622 -4.726 1.00 0.00 C ATOM 1582 C CYS A 100 11.833 16.116 -5.908 1.00 0.00 C ATOM 1583 O CYS A 100 12.780 15.349 -5.736 1.00 0.00 O ATOM 1584 CB CYS A 100 10.135 15.493 -4.179 1.00 0.00 C ATOM 1585 SG CYS A 100 9.093 14.685 -5.436 1.00 0.00 S ATOM 0 H CYS A 100 9.347 17.511 -5.641 1.00 0.00 H new ATOM 0 HA CYS A 100 11.695 16.952 -3.945 1.00 0.00 H new ATOM 0 HB2 CYS A 100 10.776 14.742 -3.716 1.00 0.00 H new ATOM 0 HB3 CYS A 100 9.494 15.893 -3.393 1.00 0.00 H new ATOM 0 HG CYS A 100 8.360 15.578 -6.031 1.00 0.00 H new ATOM 1590 N SER A 101 11.463 16.551 -7.108 1.00 0.00 N ATOM 1591 CA SER A 101 12.163 16.140 -8.320 1.00 0.00 C ATOM 1592 C SER A 101 12.038 14.634 -8.535 1.00 0.00 C ATOM 1593 O SER A 101 12.960 13.990 -9.033 1.00 0.00 O ATOM 1594 CB SER A 101 13.639 16.534 -8.240 1.00 0.00 C ATOM 1595 OG SER A 101 13.796 17.940 -8.323 1.00 0.00 O ATOM 0 H SER A 101 10.682 17.188 -7.267 1.00 0.00 H new ATOM 0 HA SER A 101 11.703 16.650 -9.167 1.00 0.00 H new ATOM 0 HB2 SER A 101 14.065 16.172 -7.304 1.00 0.00 H new ATOM 0 HB3 SER A 101 14.191 16.055 -9.048 1.00 0.00 H new ATOM 0 HG SER A 101 14.748 18.167 -8.268 1.00 0.00 H new ATOM 1601 N GLN A 102 10.890 14.082 -8.155 1.00 0.00 N ATOM 1602 CA GLN A 102 10.644 12.653 -8.306 1.00 0.00 C ATOM 1603 C GLN A 102 10.601 12.260 -9.779 1.00 0.00 C ATOM 1604 O GLN A 102 10.851 13.085 -10.658 1.00 0.00 O ATOM 1605 CB GLN A 102 9.330 12.265 -7.624 1.00 0.00 C ATOM 1606 CG GLN A 102 9.503 11.815 -6.183 1.00 0.00 C ATOM 1607 CD GLN A 102 9.722 10.320 -6.061 1.00 0.00 C ATOM 1608 OE1 GLN A 102 10.675 9.773 -6.618 1.00 0.00 O ATOM 1609 NE2 GLN A 102 8.840 9.649 -5.330 1.00 0.00 N ATOM 0 H GLN A 102 10.117 14.602 -7.741 1.00 0.00 H new ATOM 0 HA GLN A 102 11.465 12.117 -7.830 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.651 13.117 -7.651 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.858 11.463 -8.192 1.00 0.00 H new ATOM 0 HG2 GLN A 102 10.350 12.340 -5.742 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.620 12.097 -5.610 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.065 10.142 -4.886 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.937 8.640 -5.212 1.00 0.00 H new ATOM 1618 N GLN A 103 10.283 10.996 -10.040 1.00 0.00 N ATOM 1619 CA GLN A 103 10.209 10.495 -11.407 1.00 0.00 C ATOM 1620 C GLN A 103 9.033 9.537 -11.573 1.00 0.00 C ATOM 1621 O GLN A 103 8.677 8.809 -10.647 1.00 0.00 O ATOM 1622 CB GLN A 103 11.513 9.790 -11.786 1.00 0.00 C ATOM 1623 CG GLN A 103 12.755 10.626 -11.523 1.00 0.00 C ATOM 1624 CD GLN A 103 14.036 9.894 -11.872 1.00 0.00 C ATOM 1625 OE1 GLN A 103 14.892 9.675 -11.014 1.00 0.00 O ATOM 1626 NE2 GLN A 103 14.174 9.511 -13.135 1.00 0.00 N ATOM 0 H GLN A 103 10.073 10.301 -9.324 1.00 0.00 H new ATOM 0 HA GLN A 103 10.058 11.346 -12.071 1.00 0.00 H new ATOM 0 HB2 GLN A 103 11.588 8.857 -11.227 1.00 0.00 H new ATOM 0 HB3 GLN A 103 11.480 9.526 -12.843 1.00 0.00 H new ATOM 0 HG2 GLN A 103 12.698 11.547 -12.103 1.00 0.00 H new ATOM 0 HG3 GLN A 103 12.780 10.912 -10.472 1.00 0.00 H new ATOM 0 HE21 GLN A 103 13.439 9.714 -13.813 1.00 0.00 H new ATOM 0 HE22 GLN A 103 15.015 9.014 -13.428 1.00 0.00 H new ATOM 1635 N PHE A 104 8.434 9.544 -12.759 1.00 0.00 N ATOM 1636 CA PHE A 104 7.297 8.678 -13.046 1.00 0.00 C ATOM 1637 C PHE A 104 7.280 8.272 -14.517 1.00 0.00 C ATOM 1638 O PHE A 104 7.971 8.866 -15.344 1.00 0.00 O ATOM 1639 CB PHE A 104 5.988 9.382 -12.684 1.00 0.00 C ATOM 1640 CG PHE A 104 5.975 9.945 -11.292 1.00 0.00 C ATOM 1641 CD1 PHE A 104 6.715 11.075 -10.981 1.00 0.00 C ATOM 1642 CD2 PHE A 104 5.222 9.346 -10.295 1.00 0.00 C ATOM 1643 CE1 PHE A 104 6.705 11.595 -9.700 1.00 0.00 C ATOM 1644 CE2 PHE A 104 5.208 9.862 -9.013 1.00 0.00 C ATOM 1645 CZ PHE A 104 5.950 10.988 -8.715 1.00 0.00 C ATOM 0 H PHE A 104 8.717 10.140 -13.537 1.00 0.00 H new ATOM 0 HA PHE A 104 7.396 7.777 -12.440 1.00 0.00 H new ATOM 0 HB2 PHE A 104 5.810 10.189 -13.395 1.00 0.00 H new ATOM 0 HB3 PHE A 104 5.164 8.676 -12.790 1.00 0.00 H new ATOM 0 HD1 PHE A 104 7.306 11.554 -11.748 1.00 0.00 H new ATOM 0 HD2 PHE A 104 4.639 8.466 -10.522 1.00 0.00 H new ATOM 0 HE1 PHE A 104 7.287 12.475 -9.469 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.617 9.385 -8.245 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.940 11.393 -7.714 1.00 0.00 H new ATOM 1655 N MET A 105 6.485 7.255 -14.835 1.00 0.00 N ATOM 1656 CA MET A 105 6.377 6.769 -16.206 1.00 0.00 C ATOM 1657 C MET A 105 5.163 7.375 -16.903 1.00 0.00 C ATOM 1658 O MET A 105 5.160 7.549 -18.121 1.00 0.00 O ATOM 1659 CB MET A 105 6.281 5.243 -16.222 1.00 0.00 C ATOM 1660 CG MET A 105 7.632 4.549 -16.288 1.00 0.00 C ATOM 1661 SD MET A 105 8.610 5.066 -17.712 1.00 0.00 S ATOM 1662 CE MET A 105 10.153 5.511 -16.920 1.00 0.00 C ATOM 0 H MET A 105 5.907 6.752 -14.162 1.00 0.00 H new ATOM 0 HA MET A 105 7.273 7.075 -16.746 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.755 4.911 -15.327 1.00 0.00 H new ATOM 0 HB3 MET A 105 5.681 4.934 -17.078 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.189 4.758 -15.375 1.00 0.00 H new ATOM 0 HG3 MET A 105 7.480 3.470 -16.329 1.00 0.00 H new ATOM 0 HE1 MET A 105 10.952 5.525 -17.662 1.00 0.00 H new ATOM 0 HE2 MET A 105 10.059 6.499 -16.469 1.00 0.00 H new ATOM 0 HE3 MET A 105 10.389 4.780 -16.146 1.00 0.00 H new ATOM 1672 N GLN A 106 4.136 7.693 -16.122 1.00 0.00 N ATOM 1673 CA GLN A 106 2.916 8.278 -16.666 1.00 0.00 C ATOM 1674 C GLN A 106 2.679 9.673 -16.095 1.00 0.00 C ATOM 1675 O GLN A 106 3.227 10.029 -15.051 1.00 0.00 O ATOM 1676 CB GLN A 106 1.716 7.380 -16.364 1.00 0.00 C ATOM 1677 CG GLN A 106 1.983 5.904 -16.612 1.00 0.00 C ATOM 1678 CD GLN A 106 0.734 5.143 -17.010 1.00 0.00 C ATOM 1679 OE1 GLN A 106 -0.043 5.599 -17.850 1.00 0.00 O ATOM 1680 NE2 GLN A 106 0.533 3.977 -16.408 1.00 0.00 N ATOM 0 H GLN A 106 4.124 7.556 -15.111 1.00 0.00 H new ATOM 0 HA GLN A 106 3.034 8.363 -17.746 1.00 0.00 H new ATOM 0 HB2 GLN A 106 1.422 7.518 -15.323 1.00 0.00 H new ATOM 0 HB3 GLN A 106 0.873 7.696 -16.978 1.00 0.00 H new ATOM 0 HG2 GLN A 106 2.732 5.801 -17.397 1.00 0.00 H new ATOM 0 HG3 GLN A 106 2.403 5.458 -15.710 1.00 0.00 H new ATOM 0 HE21 GLN A 106 1.203 3.637 -15.718 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -0.291 3.421 -16.636 1.00 0.00 H new ATOM 1689 N LYS A 107 1.861 10.458 -16.786 1.00 0.00 N ATOM 1690 CA LYS A 107 1.550 11.814 -16.348 1.00 0.00 C ATOM 1691 C LYS A 107 0.618 11.795 -15.140 1.00 0.00 C ATOM 1692 O LYS A 107 0.880 12.451 -14.131 1.00 0.00 O ATOM 1693 CB LYS A 107 0.907 12.606 -17.489 1.00 0.00 C ATOM 1694 CG LYS A 107 0.983 14.111 -17.303 1.00 0.00 C ATOM 1695 CD LYS A 107 0.103 14.842 -18.304 1.00 0.00 C ATOM 1696 CE LYS A 107 0.549 16.284 -18.489 1.00 0.00 C ATOM 1697 NZ LYS A 107 0.401 17.075 -17.236 1.00 0.00 N ATOM 0 H LYS A 107 1.401 10.179 -17.652 1.00 0.00 H new ATOM 0 HA LYS A 107 2.482 12.298 -16.058 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.396 12.339 -18.426 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -0.139 12.312 -17.580 1.00 0.00 H new ATOM 0 HG2 LYS A 107 0.675 14.369 -16.290 1.00 0.00 H new ATOM 0 HG3 LYS A 107 2.016 14.441 -17.416 1.00 0.00 H new ATOM 0 HD2 LYS A 107 0.134 14.325 -19.263 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -0.932 14.821 -17.963 1.00 0.00 H new ATOM 0 HE2 LYS A 107 1.590 16.304 -18.810 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -0.038 16.747 -19.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -0.077 17.974 -17.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -0.164 16.535 -16.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 1.341 17.269 -16.835 1.00 0.00 H new ATOM 1711 N LYS A 108 -0.469 11.039 -15.249 1.00 0.00 N ATOM 1712 CA LYS A 108 -1.438 10.932 -14.165 1.00 0.00 C ATOM 1713 C LYS A 108 -0.766 10.469 -12.877 1.00 0.00 C ATOM 1714 O LYS A 108 -1.160 10.867 -11.781 1.00 0.00 O ATOM 1715 CB LYS A 108 -2.556 9.960 -14.547 1.00 0.00 C ATOM 1716 CG LYS A 108 -2.104 8.512 -14.622 1.00 0.00 C ATOM 1717 CD LYS A 108 -3.270 7.553 -14.448 1.00 0.00 C ATOM 1718 CE LYS A 108 -3.467 7.172 -12.989 1.00 0.00 C ATOM 1719 NZ LYS A 108 -4.266 8.191 -12.253 1.00 0.00 N ATOM 0 H LYS A 108 -0.701 10.491 -16.077 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.866 11.920 -13.995 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.363 10.043 -13.818 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -2.967 10.254 -15.513 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -1.622 8.330 -15.583 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.358 8.323 -13.850 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -4.181 8.013 -14.831 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -3.094 6.654 -15.039 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -3.968 6.206 -12.930 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -2.495 7.057 -12.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -4.692 7.755 -11.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -3.647 8.974 -11.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -5.018 8.556 -12.872 1.00 0.00 H new ATOM 1733 N ASP A 109 0.252 9.627 -13.017 1.00 0.00 N ATOM 1734 CA ASP A 109 0.982 9.111 -11.864 1.00 0.00 C ATOM 1735 C ASP A 109 1.638 10.246 -11.084 1.00 0.00 C ATOM 1736 O ASP A 109 1.707 10.210 -9.854 1.00 0.00 O ATOM 1737 CB ASP A 109 2.043 8.105 -12.313 1.00 0.00 C ATOM 1738 CG ASP A 109 2.305 7.036 -11.271 1.00 0.00 C ATOM 1739 OD1 ASP A 109 2.354 7.377 -10.071 1.00 0.00 O ATOM 1740 OD2 ASP A 109 2.463 5.858 -11.655 1.00 0.00 O ATOM 0 H ASP A 109 0.591 9.287 -13.917 1.00 0.00 H new ATOM 0 HA ASP A 109 0.270 8.608 -11.210 1.00 0.00 H new ATOM 0 HB2 ASP A 109 1.722 7.632 -13.241 1.00 0.00 H new ATOM 0 HB3 ASP A 109 2.972 8.633 -12.529 1.00 0.00 H new ATOM 1745 N LEU A 110 2.118 11.253 -11.805 1.00 0.00 N ATOM 1746 CA LEU A 110 2.769 12.399 -11.181 1.00 0.00 C ATOM 1747 C LEU A 110 1.740 13.346 -10.573 1.00 0.00 C ATOM 1748 O LEU A 110 1.847 13.730 -9.409 1.00 0.00 O ATOM 1749 CB LEU A 110 3.624 13.146 -12.206 1.00 0.00 C ATOM 1750 CG LEU A 110 4.056 14.560 -11.817 1.00 0.00 C ATOM 1751 CD1 LEU A 110 4.947 14.526 -10.585 1.00 0.00 C ATOM 1752 CD2 LEU A 110 4.774 15.236 -12.977 1.00 0.00 C ATOM 0 H LEU A 110 2.069 11.299 -12.823 1.00 0.00 H new ATOM 0 HA LEU A 110 3.412 12.029 -10.382 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.519 12.555 -12.402 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.068 13.202 -13.142 1.00 0.00 H new ATOM 0 HG LEU A 110 3.164 15.139 -11.580 1.00 0.00 H new ATOM 0 HD11 LEU A 110 5.245 15.541 -10.323 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.401 14.082 -9.753 1.00 0.00 H new ATOM 0 HD13 LEU A 110 5.835 13.930 -10.795 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.074 16.242 -12.683 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.658 14.657 -13.245 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.104 15.294 -13.835 1.00 0.00 H new ATOM 1764 N GLN A 111 0.743 13.718 -11.370 1.00 0.00 N ATOM 1765 CA GLN A 111 -0.307 14.619 -10.909 1.00 0.00 C ATOM 1766 C GLN A 111 -0.846 14.178 -9.552 1.00 0.00 C ATOM 1767 O GLN A 111 -0.928 14.975 -8.617 1.00 0.00 O ATOM 1768 CB GLN A 111 -1.445 14.674 -11.930 1.00 0.00 C ATOM 1769 CG GLN A 111 -1.028 15.243 -13.276 1.00 0.00 C ATOM 1770 CD GLN A 111 -2.161 15.959 -13.984 1.00 0.00 C ATOM 1771 OE1 GLN A 111 -2.954 16.663 -13.357 1.00 0.00 O ATOM 1772 NE2 GLN A 111 -2.243 15.784 -15.298 1.00 0.00 N ATOM 0 H GLN A 111 0.640 13.410 -12.337 1.00 0.00 H new ATOM 0 HA GLN A 111 0.124 15.614 -10.802 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -1.839 13.668 -12.077 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -2.256 15.279 -11.525 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -0.199 15.936 -13.132 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -0.662 14.435 -13.910 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -1.564 15.192 -15.777 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -2.985 16.242 -15.828 1.00 0.00 H new ATOM 1781 N SER A 112 -1.213 12.905 -9.452 1.00 0.00 N ATOM 1782 CA SER A 112 -1.748 12.359 -8.210 1.00 0.00 C ATOM 1783 C SER A 112 -0.711 12.431 -7.093 1.00 0.00 C ATOM 1784 O SER A 112 -1.025 12.803 -5.962 1.00 0.00 O ATOM 1785 CB SER A 112 -2.193 10.910 -8.415 1.00 0.00 C ATOM 1786 OG SER A 112 -3.238 10.566 -7.522 1.00 0.00 O ATOM 0 H SER A 112 -1.150 12.232 -10.216 1.00 0.00 H new ATOM 0 HA SER A 112 -2.611 12.959 -7.920 1.00 0.00 H new ATOM 0 HB2 SER A 112 -2.528 10.771 -9.443 1.00 0.00 H new ATOM 0 HB3 SER A 112 -1.346 10.241 -8.263 1.00 0.00 H new ATOM 0 HG SER A 112 -3.506 9.636 -7.674 1.00 0.00 H new ATOM 1792 N HIS A 113 0.527 12.073 -7.419 1.00 0.00 N ATOM 1793 CA HIS A 113 1.612 12.097 -6.445 1.00 0.00 C ATOM 1794 C HIS A 113 1.735 13.476 -5.803 1.00 0.00 C ATOM 1795 O HIS A 113 1.983 13.593 -4.604 1.00 0.00 O ATOM 1796 CB HIS A 113 2.933 11.712 -7.111 1.00 0.00 C ATOM 1797 CG HIS A 113 4.129 12.370 -6.495 1.00 0.00 C ATOM 1798 ND1 HIS A 113 4.725 13.555 -6.767 1.00 0.00 N flip ATOM 1799 CD2 HIS A 113 4.855 11.803 -5.470 1.00 0.00 C flip ATOM 1800 CE1 HIS A 113 5.789 13.681 -5.909 1.00 0.00 C flip ATOM 1801 NE2 HIS A 113 5.846 12.611 -5.136 1.00 0.00 N flip ATOM 0 H HIS A 113 0.804 11.763 -8.350 1.00 0.00 H new ATOM 0 HA HIS A 113 1.383 11.371 -5.665 1.00 0.00 H new ATOM 0 HB2 HIS A 113 3.056 10.630 -7.057 1.00 0.00 H new ATOM 0 HB3 HIS A 113 2.888 11.975 -8.168 1.00 0.00 H new ATOM 0 HD2 HIS A 113 4.647 10.848 -5.011 1.00 0.00 H new ATOM 0 HE1 HIS A 113 6.469 14.519 -5.872 1.00 0.00 H new ATOM 0 HE2 HIS A 113 6.537 12.438 -4.406 1.00 0.00 H new ATOM 1809 N MET A 114 1.561 14.517 -6.611 1.00 0.00 N ATOM 1810 CA MET A 114 1.653 15.887 -6.122 1.00 0.00 C ATOM 1811 C MET A 114 0.379 16.288 -5.385 1.00 0.00 C ATOM 1812 O MET A 114 0.415 17.098 -4.459 1.00 0.00 O ATOM 1813 CB MET A 114 1.908 16.850 -7.283 1.00 0.00 C ATOM 1814 CG MET A 114 3.169 16.532 -8.069 1.00 0.00 C ATOM 1815 SD MET A 114 3.793 17.955 -8.986 1.00 0.00 S ATOM 1816 CE MET A 114 4.418 18.970 -7.649 1.00 0.00 C ATOM 0 H MET A 114 1.356 14.437 -7.607 1.00 0.00 H new ATOM 0 HA MET A 114 2.488 15.941 -5.424 1.00 0.00 H new ATOM 0 HB2 MET A 114 1.053 16.827 -7.958 1.00 0.00 H new ATOM 0 HB3 MET A 114 1.979 17.866 -6.893 1.00 0.00 H new ATOM 0 HG2 MET A 114 3.940 16.179 -7.384 1.00 0.00 H new ATOM 0 HG3 MET A 114 2.964 15.718 -8.764 1.00 0.00 H new ATOM 0 HE1 MET A 114 3.885 19.921 -7.634 1.00 0.00 H new ATOM 0 HE2 MET A 114 4.268 18.455 -6.700 1.00 0.00 H new ATOM 0 HE3 MET A 114 5.482 19.153 -7.798 1.00 0.00 H new ATOM 1826 N ILE A 115 -0.746 15.715 -5.802 1.00 0.00 N ATOM 1827 CA ILE A 115 -2.030 16.013 -5.180 1.00 0.00 C ATOM 1828 C ILE A 115 -2.155 15.330 -3.822 1.00 0.00 C ATOM 1829 O ILE A 115 -2.850 15.818 -2.931 1.00 0.00 O ATOM 1830 CB ILE A 115 -3.204 15.571 -6.074 1.00 0.00 C ATOM 1831 CG1 ILE A 115 -3.216 16.378 -7.374 1.00 0.00 C ATOM 1832 CG2 ILE A 115 -4.523 15.730 -5.333 1.00 0.00 C ATOM 1833 CD1 ILE A 115 -3.787 15.619 -8.551 1.00 0.00 C ATOM 0 H ILE A 115 -0.794 15.042 -6.567 1.00 0.00 H new ATOM 0 HA ILE A 115 -2.072 17.094 -5.046 1.00 0.00 H new ATOM 0 HB ILE A 115 -3.075 14.518 -6.324 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -3.797 17.288 -7.222 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -2.198 16.686 -7.610 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -5.343 15.414 -5.978 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -4.511 15.115 -4.433 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -4.661 16.775 -5.057 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -3.764 16.252 -9.438 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -3.192 14.723 -8.729 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -4.817 15.334 -8.335 1.00 0.00 H new ATOM 1845 N LYS A 116 -1.474 14.199 -3.670 1.00 0.00 N ATOM 1846 CA LYS A 116 -1.505 13.450 -2.420 1.00 0.00 C ATOM 1847 C LYS A 116 -0.404 13.922 -1.475 1.00 0.00 C ATOM 1848 O LYS A 116 -0.676 14.334 -0.346 1.00 0.00 O ATOM 1849 CB LYS A 116 -1.347 11.952 -2.695 1.00 0.00 C ATOM 1850 CG LYS A 116 -2.667 11.230 -2.904 1.00 0.00 C ATOM 1851 CD LYS A 116 -3.096 11.262 -4.361 1.00 0.00 C ATOM 1852 CE LYS A 116 -3.937 12.492 -4.668 1.00 0.00 C ATOM 1853 NZ LYS A 116 -5.330 12.351 -4.163 1.00 0.00 N ATOM 0 H LYS A 116 -0.894 13.781 -4.398 1.00 0.00 H new ATOM 0 HA LYS A 116 -2.469 13.627 -1.944 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.725 11.817 -3.580 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -0.819 11.492 -1.860 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -2.573 10.195 -2.574 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -3.437 11.692 -2.287 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -2.214 11.254 -5.001 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -3.667 10.363 -4.593 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -3.474 13.370 -4.217 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -3.956 12.659 -5.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -5.902 13.154 -4.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -5.740 11.464 -4.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -5.322 12.336 -3.123 1.00 0.00 H new ATOM 1867 N LEU A 117 0.837 13.861 -1.943 1.00 0.00 N ATOM 1868 CA LEU A 117 1.979 14.284 -1.140 1.00 0.00 C ATOM 1869 C LEU A 117 2.102 15.805 -1.126 1.00 0.00 C ATOM 1870 O LEU A 117 2.147 16.425 -0.064 1.00 0.00 O ATOM 1871 CB LEU A 117 3.267 13.662 -1.681 1.00 0.00 C ATOM 1872 CG LEU A 117 3.190 12.184 -2.063 1.00 0.00 C ATOM 1873 CD1 LEU A 117 4.580 11.569 -2.101 1.00 0.00 C ATOM 1874 CD2 LEU A 117 2.297 11.428 -1.090 1.00 0.00 C ATOM 0 H LEU A 117 1.079 13.523 -2.874 1.00 0.00 H new ATOM 0 HA LEU A 117 1.819 13.941 -0.118 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.579 14.228 -2.559 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.048 13.782 -0.930 1.00 0.00 H new ATOM 0 HG LEU A 117 2.755 12.108 -3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 117 4.505 10.517 -2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 117 5.190 12.093 -2.837 1.00 0.00 H new ATOM 0 HD13 LEU A 117 5.043 11.656 -1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.254 10.377 -1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 117 2.704 11.512 -0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 117 1.293 11.852 -1.113 1.00 0.00 H new ATOM 1886 N HIS A 118 2.152 16.400 -2.314 1.00 0.00 N ATOM 1887 CA HIS A 118 2.267 17.849 -2.439 1.00 0.00 C ATOM 1888 C HIS A 118 0.889 18.505 -2.425 1.00 0.00 C ATOM 1889 O HIS A 118 0.659 19.501 -3.112 1.00 0.00 O ATOM 1890 CB HIS A 118 3.006 18.214 -3.726 1.00 0.00 C ATOM 1891 CG HIS A 118 4.413 17.704 -3.774 1.00 0.00 C ATOM 1892 ND1 HIS A 118 4.995 16.784 -4.579 1.00 0.00 N flip ATOM 1893 CD2 HIS A 118 5.403 18.144 -2.920 1.00 0.00 C flip ATOM 1894 CE1 HIS A 118 6.312 16.687 -4.202 1.00 0.00 C flip ATOM 1895 NE2 HIS A 118 6.532 17.518 -3.199 1.00 0.00 N flip ATOM 0 H HIS A 118 2.115 15.902 -3.203 1.00 0.00 H new ATOM 0 HA HIS A 118 2.836 18.219 -1.586 1.00 0.00 H new ATOM 0 HB2 HIS A 118 2.455 17.815 -4.577 1.00 0.00 H new ATOM 0 HB3 HIS A 118 3.018 19.299 -3.833 1.00 0.00 H new ATOM 0 HD2 HIS A 118 5.275 18.885 -2.144 1.00 0.00 H new ATOM 0 HE1 HIS A 118 7.048 16.037 -4.652 1.00 0.00 H new ATOM 0 HE2 HIS A 118 7.423 17.653 -2.721 1.00 0.00 H new