USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 871 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 92 GLN : amide:sc= -0.484 K(o=0.081,f=-1.4) USER MOD Set 1.2: A 102 TYR OH : rot -90:sc= 0.243 USER MOD Set 1.3: A 105 SER OG : rot -87:sc= 0.321 USER MOD Set 2.1: A 89 HIS :FLIP no HD1:sc= -1.08 F(o=-2.8!,f=-1.7) USER MOD Set 2.2: A 93 THR OG1 : rot 108:sc= -0.575 USER MOD Set 3.1: A 19 ASN : amide:sc= -1.22 X(o=-2,f=-2) USER MOD Set 3.2: A 66 LYS NZ :NH3+ -161:sc= -0.733 (180deg=-1.06) USER MOD Set 4.1: A 10 ASN : amide:sc= -0.878 K(o=0.3,f=-5.9!) USER MOD Set 4.2: A 15 THR OG1 : rot 78:sc= 0.937 USER MOD Set 4.3: A 72 HIS : no HE2:sc= 0.242 K(o=0.3,f=-8.1!) USER MOD Single : A 13 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 17 GLN : amide:sc= -1.31 X(o=-1.3,f=-0.96) USER MOD Single : A 18 MET CE :methyl 143:sc= -0.748 (180deg=-2.73!) USER MOD Single : A 24 THR OG1 : rot 93:sc= 0.955 USER MOD Single : A 27 ASN : amide:sc= -1.22! K(o=-1.2!,f=-1.8) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 70:sc= -2.99! USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -118:sc= 0.00907 (180deg=-0.53) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 159:sc= -0.0508 (180deg=-0.355) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -2.17 K(o=-2.2,f=-6.9!) USER MOD Single : A 73 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0146) USER MOD Single : A 74 TYR OH : rot 59:sc= 0.838 USER MOD Single : A 76 SER OG : rot -5:sc= 1.01 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -109:sc= -0.975 (180deg=-4.81!) USER MOD Single : A 88 CYS SG : rot 66:sc= 0.0889 USER MOD Single : A 90 ASN : amide:sc= -0.324 K(o=-0.32,f=-1) USER MOD Single : A 95 ASN : amide:sc= -4.95! C(o=-4.9!,f=-6.8!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0.31) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ -174:sc= 0.0875 (180deg=0.0616) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 91 N ASN A 10 1.240 10.811 5.339 1.00 0.00 N ATOM 92 CA ASN A 10 0.152 10.477 4.427 1.00 0.00 C ATOM 93 C ASN A 10 -1.192 10.923 4.997 1.00 0.00 C ATOM 94 O ASN A 10 -1.412 10.922 6.208 1.00 0.00 O ATOM 95 CB ASN A 10 0.129 8.971 4.157 1.00 0.00 C ATOM 96 CG ASN A 10 0.193 8.154 5.433 1.00 0.00 C ATOM 97 OD1 ASN A 10 -0.082 8.660 6.522 1.00 0.00 O ATOM 98 ND2 ASN A 10 0.556 6.883 5.304 1.00 0.00 N ATOM 0 HA ASN A 10 0.323 11.005 3.489 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.779 8.716 3.611 1.00 0.00 H new ATOM 0 HB3 ASN A 10 0.971 8.706 3.517 1.00 0.00 H new ATOM 0 HD21 ASN A 10 0.616 6.284 6.127 1.00 0.00 H new ATOM 0 HD22 ASN A 10 0.775 6.506 4.382 1.00 0.00 H new ATOM 105 N PRO A 11 -2.112 11.315 4.103 1.00 0.00 N ATOM 106 CA PRO A 11 -3.450 11.770 4.493 1.00 0.00 C ATOM 107 C PRO A 11 -4.314 10.636 5.033 1.00 0.00 C ATOM 108 O PRO A 11 -3.972 9.458 4.926 1.00 0.00 O ATOM 109 CB PRO A 11 -4.035 12.313 3.186 1.00 0.00 C ATOM 110 CG PRO A 11 -3.304 11.582 2.113 1.00 0.00 C ATOM 111 CD PRO A 11 -1.918 11.343 2.644 1.00 0.00 C ATOM 0 HA PRO A 11 -3.412 12.505 5.297 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.108 12.133 3.127 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.887 13.390 3.103 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.799 10.640 1.876 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.274 12.167 1.193 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.503 10.405 2.276 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.231 12.135 2.345 1.00 0.00 H new ATOM 119 N PRO A 12 -5.462 10.996 5.626 1.00 0.00 N ATOM 120 CA PRO A 12 -6.399 10.022 6.193 1.00 0.00 C ATOM 121 C PRO A 12 -7.099 9.197 5.118 1.00 0.00 C ATOM 122 O PRO A 12 -7.439 8.034 5.337 1.00 0.00 O ATOM 123 CB PRO A 12 -7.410 10.896 6.940 1.00 0.00 C ATOM 124 CG PRO A 12 -7.355 12.214 6.248 1.00 0.00 C ATOM 125 CD PRO A 12 -5.933 12.381 5.788 1.00 0.00 C ATOM 0 HA PRO A 12 -5.895 9.293 6.827 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.411 10.468 6.897 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.149 10.991 7.994 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.044 12.241 5.404 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.645 13.021 6.921 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.876 12.937 4.852 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.336 12.926 6.519 1.00 0.00 H new ATOM 133 N LYS A 13 -7.312 9.806 3.957 1.00 0.00 N ATOM 134 CA LYS A 13 -7.970 9.128 2.846 1.00 0.00 C ATOM 135 C LYS A 13 -7.127 7.959 2.346 1.00 0.00 C ATOM 136 O LYS A 13 -7.655 6.895 2.019 1.00 0.00 O ATOM 137 CB LYS A 13 -8.227 10.111 1.702 1.00 0.00 C ATOM 138 CG LYS A 13 -9.141 9.560 0.621 1.00 0.00 C ATOM 139 CD LYS A 13 -9.919 10.668 -0.069 1.00 0.00 C ATOM 140 CE LYS A 13 -11.078 11.152 0.789 1.00 0.00 C ATOM 141 NZ LYS A 13 -12.257 10.248 0.689 1.00 0.00 N ATOM 0 H LYS A 13 -7.038 10.769 3.760 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.923 8.739 3.204 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.667 11.022 2.108 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.274 10.390 1.253 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.549 9.017 -0.115 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.836 8.845 1.061 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.252 11.502 -0.285 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.298 10.307 -1.025 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.758 11.217 1.829 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.364 12.157 0.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.025 10.612 1.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.579 10.205 -0.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.991 9.294 1.008 1.00 0.00 H new ATOM 155 N LEU A 14 -5.816 8.162 2.291 1.00 0.00 N ATOM 156 CA LEU A 14 -4.899 7.124 1.832 1.00 0.00 C ATOM 157 C LEU A 14 -4.636 6.104 2.935 1.00 0.00 C ATOM 158 O LEU A 14 -4.865 4.907 2.757 1.00 0.00 O ATOM 159 CB LEU A 14 -3.580 7.747 1.373 1.00 0.00 C ATOM 160 CG LEU A 14 -2.489 6.767 0.941 1.00 0.00 C ATOM 161 CD1 LEU A 14 -2.995 5.859 -0.169 1.00 0.00 C ATOM 162 CD2 LEU A 14 -1.244 7.518 0.493 1.00 0.00 C ATOM 0 H LEU A 14 -5.363 9.036 2.559 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.363 6.610 0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.789 8.418 0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.189 8.360 2.185 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.226 6.146 1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.204 5.169 -0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.856 5.294 0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.287 6.463 -1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.478 6.804 0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.492 8.164 -0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.868 8.124 1.317 1.00 0.00 H new ATOM 174 N THR A 15 -4.155 6.585 4.077 1.00 0.00 N ATOM 175 CA THR A 15 -3.862 5.716 5.210 1.00 0.00 C ATOM 176 C THR A 15 -5.021 4.766 5.488 1.00 0.00 C ATOM 177 O THR A 15 -4.851 3.546 5.487 1.00 0.00 O ATOM 178 CB THR A 15 -3.565 6.533 6.482 1.00 0.00 C ATOM 179 OG1 THR A 15 -2.583 7.536 6.202 1.00 0.00 O ATOM 180 CG2 THR A 15 -3.071 5.629 7.601 1.00 0.00 C ATOM 0 H THR A 15 -3.960 7.573 4.242 1.00 0.00 H new ATOM 0 HA THR A 15 -2.977 5.137 4.945 1.00 0.00 H new ATOM 0 HB THR A 15 -4.489 7.012 6.805 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.005 8.284 5.731 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.868 6.227 8.489 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.834 4.885 7.831 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.157 5.126 7.285 1.00 0.00 H new ATOM 188 N LYS A 16 -6.200 5.331 5.725 1.00 0.00 N ATOM 189 CA LYS A 16 -7.389 4.535 6.004 1.00 0.00 C ATOM 190 C LYS A 16 -7.559 3.431 4.965 1.00 0.00 C ATOM 191 O LYS A 16 -7.570 2.247 5.301 1.00 0.00 O ATOM 192 CB LYS A 16 -8.632 5.427 6.024 1.00 0.00 C ATOM 193 CG LYS A 16 -9.924 4.664 6.264 1.00 0.00 C ATOM 194 CD LYS A 16 -10.107 4.327 7.735 1.00 0.00 C ATOM 195 CE LYS A 16 -11.406 3.574 7.976 1.00 0.00 C ATOM 196 NZ LYS A 16 -12.574 4.494 8.054 1.00 0.00 N ATOM 0 H LYS A 16 -6.357 6.339 5.729 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.266 4.073 6.984 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.515 6.181 6.802 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.704 5.957 5.074 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.769 5.259 5.918 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.920 3.746 5.677 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.266 3.724 8.079 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.103 5.245 8.323 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.563 2.855 7.172 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.329 3.005 8.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.440 3.942 8.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.436 5.164 8.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.663 5.019 7.161 1.00 0.00 H new ATOM 210 N GLN A 17 -7.690 3.827 3.703 1.00 0.00 N ATOM 211 CA GLN A 17 -7.859 2.870 2.616 1.00 0.00 C ATOM 212 C GLN A 17 -6.884 1.706 2.759 1.00 0.00 C ATOM 213 O GLN A 17 -7.279 0.542 2.703 1.00 0.00 O ATOM 214 CB GLN A 17 -7.655 3.559 1.266 1.00 0.00 C ATOM 215 CG GLN A 17 -7.997 2.677 0.075 1.00 0.00 C ATOM 216 CD GLN A 17 -8.488 3.472 -1.118 1.00 0.00 C ATOM 217 OE1 GLN A 17 -9.595 3.256 -1.611 1.00 0.00 O ATOM 218 NE2 GLN A 17 -7.664 4.400 -1.591 1.00 0.00 N ATOM 0 H GLN A 17 -7.682 4.803 3.408 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.875 2.477 2.666 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.270 4.458 1.230 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.616 3.879 1.184 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.116 2.104 -0.213 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.763 1.958 0.368 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.755 4.546 -1.152 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -7.940 4.966 -2.393 1.00 0.00 H new ATOM 227 N MET A 18 -5.608 2.029 2.942 1.00 0.00 N ATOM 228 CA MET A 18 -4.576 1.010 3.094 1.00 0.00 C ATOM 229 C MET A 18 -4.930 0.041 4.218 1.00 0.00 C ATOM 230 O MET A 18 -5.060 -1.162 3.996 1.00 0.00 O ATOM 231 CB MET A 18 -3.221 1.662 3.375 1.00 0.00 C ATOM 232 CG MET A 18 -2.474 2.077 2.117 1.00 0.00 C ATOM 233 SD MET A 18 -0.684 2.030 2.326 1.00 0.00 S ATOM 234 CE MET A 18 -0.262 3.743 2.013 1.00 0.00 C ATOM 0 H MET A 18 -5.264 2.988 2.989 1.00 0.00 H new ATOM 0 HA MET A 18 -4.514 0.450 2.161 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.372 2.539 4.004 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.603 0.966 3.942 1.00 0.00 H new ATOM 0 HG2 MET A 18 -2.758 1.418 1.296 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.777 3.085 1.835 1.00 0.00 H new ATOM 0 HE1 MET A 18 0.549 4.045 2.675 1.00 0.00 H new ATOM 0 HE2 MET A 18 0.055 3.856 0.976 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.133 4.372 2.197 1.00 0.00 H new ATOM 244 N ASN A 19 -5.083 0.574 5.426 1.00 0.00 N ATOM 245 CA ASN A 19 -5.421 -0.244 6.585 1.00 0.00 C ATOM 246 C ASN A 19 -6.664 -1.085 6.314 1.00 0.00 C ATOM 247 O ASN A 19 -6.627 -2.312 6.400 1.00 0.00 O ATOM 248 CB ASN A 19 -5.649 0.642 7.812 1.00 0.00 C ATOM 249 CG ASN A 19 -4.363 0.936 8.559 1.00 0.00 C ATOM 250 OD1 ASN A 19 -3.690 0.026 9.042 1.00 0.00 O ATOM 251 ND2 ASN A 19 -4.015 2.214 8.658 1.00 0.00 N ATOM 0 H ASN A 19 -4.978 1.568 5.628 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.585 -0.916 6.780 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.107 1.580 7.499 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.353 0.152 8.485 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.160 2.473 9.150 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.603 2.936 8.242 1.00 0.00 H new ATOM 258 N ALA A 20 -7.765 -0.416 5.984 1.00 0.00 N ATOM 259 CA ALA A 20 -9.018 -1.102 5.697 1.00 0.00 C ATOM 260 C ALA A 20 -8.776 -2.376 4.895 1.00 0.00 C ATOM 261 O ALA A 20 -9.416 -3.401 5.133 1.00 0.00 O ATOM 262 CB ALA A 20 -9.966 -0.177 4.948 1.00 0.00 C ATOM 0 H ALA A 20 -7.814 0.600 5.909 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.475 -1.383 6.646 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -10.898 -0.702 4.740 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.173 0.703 5.557 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.507 0.132 4.009 1.00 0.00 H new ATOM 268 N ILE A 21 -7.850 -2.305 3.945 1.00 0.00 N ATOM 269 CA ILE A 21 -7.524 -3.453 3.109 1.00 0.00 C ATOM 270 C ILE A 21 -6.774 -4.517 3.904 1.00 0.00 C ATOM 271 O ILE A 21 -7.203 -5.669 3.976 1.00 0.00 O ATOM 272 CB ILE A 21 -6.672 -3.041 1.894 1.00 0.00 C ATOM 273 CG1 ILE A 21 -7.532 -2.297 0.870 1.00 0.00 C ATOM 274 CG2 ILE A 21 -6.025 -4.264 1.262 1.00 0.00 C ATOM 275 CD1 ILE A 21 -6.726 -1.490 -0.124 1.00 0.00 C ATOM 0 H ILE A 21 -7.312 -1.464 3.735 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.470 -3.865 2.757 1.00 0.00 H new ATOM 0 HB ILE A 21 -5.882 -2.371 2.233 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.144 -3.019 0.329 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.216 -1.631 1.397 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.426 -3.957 0.405 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.385 -4.756 1.994 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.800 -4.957 0.934 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -7.401 -0.990 -0.819 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -6.134 -0.745 0.407 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.062 -2.153 -0.678 1.00 0.00 H new ATOM 287 N ILE A 22 -5.654 -4.122 4.500 1.00 0.00 N ATOM 288 CA ILE A 22 -4.847 -5.041 5.292 1.00 0.00 C ATOM 289 C ILE A 22 -5.618 -5.543 6.508 1.00 0.00 C ATOM 290 O ILE A 22 -5.860 -6.741 6.651 1.00 0.00 O ATOM 291 CB ILE A 22 -3.540 -4.377 5.765 1.00 0.00 C ATOM 292 CG1 ILE A 22 -2.553 -4.256 4.602 1.00 0.00 C ATOM 293 CG2 ILE A 22 -2.925 -5.173 6.907 1.00 0.00 C ATOM 294 CD1 ILE A 22 -2.347 -5.551 3.847 1.00 0.00 C ATOM 0 H ILE A 22 -5.285 -3.172 4.449 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.604 -5.885 4.646 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.770 -3.375 6.128 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.911 -3.494 3.910 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.593 -3.912 4.985 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.002 -4.692 7.230 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.625 -5.213 7.741 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.706 -6.186 6.568 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.636 -5.391 3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.959 -6.310 4.526 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.298 -5.886 3.433 1.00 0.00 H new ATOM 306 N ASP A 23 -6.003 -4.618 7.380 1.00 0.00 N ATOM 307 CA ASP A 23 -6.750 -4.965 8.583 1.00 0.00 C ATOM 308 C ASP A 23 -7.690 -6.137 8.320 1.00 0.00 C ATOM 309 O ASP A 23 -7.766 -7.078 9.111 1.00 0.00 O ATOM 310 CB ASP A 23 -7.548 -3.758 9.081 1.00 0.00 C ATOM 311 CG ASP A 23 -8.503 -4.118 10.201 1.00 0.00 C ATOM 312 OD1 ASP A 23 -8.048 -4.710 11.203 1.00 0.00 O ATOM 313 OD2 ASP A 23 -9.706 -3.806 10.078 1.00 0.00 O ATOM 0 H ASP A 23 -5.810 -3.622 7.276 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.035 -5.260 9.351 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.859 -2.989 9.429 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.111 -3.331 8.251 1.00 0.00 H new ATOM 318 N THR A 24 -8.407 -6.075 7.202 1.00 0.00 N ATOM 319 CA THR A 24 -9.344 -7.129 6.834 1.00 0.00 C ATOM 320 C THR A 24 -8.611 -8.422 6.494 1.00 0.00 C ATOM 321 O THR A 24 -8.857 -9.465 7.101 1.00 0.00 O ATOM 322 CB THR A 24 -10.214 -6.715 5.633 1.00 0.00 C ATOM 323 OG1 THR A 24 -11.015 -5.579 5.977 1.00 0.00 O ATOM 324 CG2 THR A 24 -11.112 -7.861 5.193 1.00 0.00 C ATOM 0 H THR A 24 -8.356 -5.305 6.535 1.00 0.00 H new ATOM 0 HA THR A 24 -9.987 -7.295 7.698 1.00 0.00 H new ATOM 0 HB THR A 24 -9.553 -6.456 4.806 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.544 -4.758 5.724 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.717 -7.544 4.343 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.498 -8.714 4.903 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.766 -8.148 6.017 1.00 0.00 H new ATOM 332 N VAL A 25 -7.708 -8.347 5.521 1.00 0.00 N ATOM 333 CA VAL A 25 -6.938 -9.512 5.102 1.00 0.00 C ATOM 334 C VAL A 25 -6.385 -10.267 6.305 1.00 0.00 C ATOM 335 O VAL A 25 -6.686 -11.445 6.502 1.00 0.00 O ATOM 336 CB VAL A 25 -5.770 -9.110 4.181 1.00 0.00 C ATOM 337 CG1 VAL A 25 -4.955 -10.332 3.788 1.00 0.00 C ATOM 338 CG2 VAL A 25 -6.289 -8.385 2.949 1.00 0.00 C ATOM 0 H VAL A 25 -7.492 -7.492 5.009 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.619 -10.161 4.552 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.117 -8.429 4.727 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.135 -10.028 3.138 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.552 -10.804 4.684 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.593 -11.041 3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.451 -8.108 2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.964 -9.040 2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.824 -7.486 3.254 1.00 0.00 H new ATOM 348 N ILE A 26 -5.577 -9.583 7.107 1.00 0.00 N ATOM 349 CA ILE A 26 -4.983 -10.189 8.292 1.00 0.00 C ATOM 350 C ILE A 26 -6.059 -10.690 9.250 1.00 0.00 C ATOM 351 O ILE A 26 -5.923 -11.756 9.849 1.00 0.00 O ATOM 352 CB ILE A 26 -4.071 -9.196 9.036 1.00 0.00 C ATOM 353 CG1 ILE A 26 -2.892 -8.790 8.150 1.00 0.00 C ATOM 354 CG2 ILE A 26 -3.576 -9.806 10.339 1.00 0.00 C ATOM 355 CD1 ILE A 26 -2.091 -7.632 8.702 1.00 0.00 C ATOM 0 H ILE A 26 -5.318 -8.608 6.958 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.383 -11.032 7.949 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.648 -8.302 9.272 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.233 -9.648 8.021 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.266 -8.524 7.161 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.933 -9.092 10.854 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.428 -10.050 10.974 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.012 -10.714 10.125 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.272 -7.399 8.022 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.736 -6.760 8.805 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.687 -7.901 9.678 1.00 0.00 H new ATOM 367 N ASN A 27 -7.129 -9.914 9.388 1.00 0.00 N ATOM 368 CA ASN A 27 -8.230 -10.279 10.272 1.00 0.00 C ATOM 369 C ASN A 27 -9.374 -10.911 9.484 1.00 0.00 C ATOM 370 O ASN A 27 -10.546 -10.644 9.750 1.00 0.00 O ATOM 371 CB ASN A 27 -8.734 -9.049 11.028 1.00 0.00 C ATOM 372 CG ASN A 27 -7.643 -8.385 11.846 1.00 0.00 C ATOM 373 OD1 ASN A 27 -7.028 -9.013 12.708 1.00 0.00 O ATOM 374 ND2 ASN A 27 -7.397 -7.107 11.578 1.00 0.00 N ATOM 0 H ASN A 27 -7.257 -9.028 8.899 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.859 -11.011 10.990 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.139 -8.330 10.316 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.552 -9.341 11.687 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.674 -6.607 12.096 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.931 -6.626 10.855 1.00 0.00 H new ATOM 381 N TYR A 28 -9.025 -11.749 8.515 1.00 0.00 N ATOM 382 CA TYR A 28 -10.022 -12.417 7.687 1.00 0.00 C ATOM 383 C TYR A 28 -10.084 -13.908 8.005 1.00 0.00 C ATOM 384 O TYR A 28 -9.057 -14.551 8.226 1.00 0.00 O ATOM 385 CB TYR A 28 -9.704 -12.213 6.205 1.00 0.00 C ATOM 386 CG TYR A 28 -10.433 -13.174 5.292 1.00 0.00 C ATOM 387 CD1 TYR A 28 -9.999 -14.485 5.142 1.00 0.00 C ATOM 388 CD2 TYR A 28 -11.555 -12.770 4.580 1.00 0.00 C ATOM 389 CE1 TYR A 28 -10.661 -15.366 4.308 1.00 0.00 C ATOM 390 CE2 TYR A 28 -12.224 -13.644 3.745 1.00 0.00 C ATOM 391 CZ TYR A 28 -11.773 -14.941 3.612 1.00 0.00 C ATOM 392 OH TYR A 28 -12.436 -15.815 2.782 1.00 0.00 O ATOM 0 H TYR A 28 -8.059 -11.982 8.283 1.00 0.00 H new ATOM 0 HA TYR A 28 -10.994 -11.976 7.907 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -9.961 -11.192 5.924 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.630 -12.324 6.054 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -9.129 -14.822 5.687 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -11.911 -11.755 4.681 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -10.309 -16.382 4.202 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -13.095 -13.314 3.199 1.00 0.00 H new ATOM 0 HH TYR A 28 -13.198 -15.359 2.368 1.00 0.00 H new ATOM 402 N LYS A 29 -11.296 -14.452 8.027 1.00 0.00 N ATOM 403 CA LYS A 29 -11.495 -15.867 8.315 1.00 0.00 C ATOM 404 C LYS A 29 -11.739 -16.655 7.032 1.00 0.00 C ATOM 405 O LYS A 29 -12.377 -16.163 6.102 1.00 0.00 O ATOM 406 CB LYS A 29 -12.674 -16.053 9.273 1.00 0.00 C ATOM 407 CG LYS A 29 -14.012 -15.658 8.672 1.00 0.00 C ATOM 408 CD LYS A 29 -14.681 -16.833 7.978 1.00 0.00 C ATOM 409 CE LYS A 29 -16.194 -16.681 7.958 1.00 0.00 C ATOM 410 NZ LYS A 29 -16.818 -17.181 9.215 1.00 0.00 N ATOM 0 H LYS A 29 -12.156 -13.933 7.849 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.589 -16.247 8.786 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.718 -17.097 9.583 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.499 -15.460 10.171 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -14.666 -15.277 9.457 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.866 -14.848 7.958 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.309 -16.913 6.957 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.414 -17.758 8.488 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -16.452 -15.631 7.817 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -16.603 -17.227 7.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.850 -17.060 9.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.593 -18.189 9.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.447 -16.643 10.024 1.00 0.00 H new ATOM 506 N LEU A 36 -5.441 -16.457 8.739 1.00 0.00 N ATOM 507 CA LEU A 36 -4.540 -16.900 7.682 1.00 0.00 C ATOM 508 C LEU A 36 -3.177 -16.228 7.811 1.00 0.00 C ATOM 509 O LEU A 36 -2.144 -16.897 7.846 1.00 0.00 O ATOM 510 CB LEU A 36 -5.143 -16.596 6.309 1.00 0.00 C ATOM 511 CG LEU A 36 -6.521 -17.198 6.034 1.00 0.00 C ATOM 512 CD1 LEU A 36 -7.309 -16.313 5.081 1.00 0.00 C ATOM 513 CD2 LEU A 36 -6.386 -18.605 5.469 1.00 0.00 C ATOM 0 HA LEU A 36 -4.405 -17.977 7.782 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.212 -15.514 6.196 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.453 -16.953 5.544 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.065 -17.257 6.977 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.287 -16.757 4.897 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.437 -15.325 5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.769 -16.221 4.139 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.377 -19.018 5.279 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.823 -18.570 4.536 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.861 -19.236 6.186 1.00 0.00 H new ATOM 525 N SER A 37 -3.182 -14.901 7.884 1.00 0.00 N ATOM 526 CA SER A 37 -1.946 -14.137 8.008 1.00 0.00 C ATOM 527 C SER A 37 -1.047 -14.730 9.090 1.00 0.00 C ATOM 528 O SER A 37 0.160 -14.493 9.106 1.00 0.00 O ATOM 529 CB SER A 37 -2.255 -12.674 8.331 1.00 0.00 C ATOM 530 OG SER A 37 -3.068 -12.568 9.487 1.00 0.00 O ATOM 0 H SER A 37 -4.028 -14.332 7.859 1.00 0.00 H new ATOM 0 HA SER A 37 -1.420 -14.187 7.055 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.324 -12.128 8.486 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.760 -12.210 7.484 1.00 0.00 H new ATOM 0 HG SER A 37 -2.547 -12.819 10.278 1.00 0.00 H new ATOM 536 N GLU A 38 -1.647 -15.501 9.991 1.00 0.00 N ATOM 537 CA GLU A 38 -0.902 -16.126 11.077 1.00 0.00 C ATOM 538 C GLU A 38 0.414 -16.708 10.569 1.00 0.00 C ATOM 539 O GLU A 38 1.494 -16.275 10.972 1.00 0.00 O ATOM 540 CB GLU A 38 -1.739 -17.227 11.732 1.00 0.00 C ATOM 541 CG GLU A 38 -2.593 -16.735 12.889 1.00 0.00 C ATOM 542 CD GLU A 38 -3.377 -17.851 13.552 1.00 0.00 C ATOM 543 OE1 GLU A 38 -3.904 -18.718 12.824 1.00 0.00 O ATOM 544 OE2 GLU A 38 -3.463 -17.857 14.798 1.00 0.00 O ATOM 0 H GLU A 38 -2.646 -15.708 9.990 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.679 -15.359 11.819 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.386 -17.676 10.979 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.074 -18.013 12.091 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.953 -16.256 13.630 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.286 -15.975 12.527 1.00 0.00 H new ATOM 551 N VAL A 39 0.316 -17.693 9.682 1.00 0.00 N ATOM 552 CA VAL A 39 1.497 -18.335 9.118 1.00 0.00 C ATOM 553 C VAL A 39 2.287 -17.364 8.248 1.00 0.00 C ATOM 554 O VAL A 39 3.395 -17.670 7.806 1.00 0.00 O ATOM 555 CB VAL A 39 1.119 -19.569 8.278 1.00 0.00 C ATOM 556 CG1 VAL A 39 0.084 -20.414 9.006 1.00 0.00 C ATOM 557 CG2 VAL A 39 0.606 -19.145 6.910 1.00 0.00 C ATOM 0 H VAL A 39 -0.570 -18.064 9.338 1.00 0.00 H new ATOM 0 HA VAL A 39 2.116 -18.653 9.957 1.00 0.00 H new ATOM 0 HB VAL A 39 2.013 -20.176 8.134 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.171 -21.281 8.397 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.492 -20.748 9.960 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.812 -19.819 9.183 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.344 -20.030 6.330 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.276 -18.516 7.031 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.382 -18.586 6.388 1.00 0.00 H new ATOM 567 N PHE A 40 1.710 -16.192 8.005 1.00 0.00 N ATOM 568 CA PHE A 40 2.360 -15.175 7.187 1.00 0.00 C ATOM 569 C PHE A 40 2.623 -13.910 7.999 1.00 0.00 C ATOM 570 O PHE A 40 2.796 -12.826 7.440 1.00 0.00 O ATOM 571 CB PHE A 40 1.497 -14.842 5.968 1.00 0.00 C ATOM 572 CG PHE A 40 1.059 -16.053 5.195 1.00 0.00 C ATOM 573 CD1 PHE A 40 1.905 -16.645 4.272 1.00 0.00 C ATOM 574 CD2 PHE A 40 -0.200 -16.599 5.392 1.00 0.00 C ATOM 575 CE1 PHE A 40 1.505 -17.760 3.559 1.00 0.00 C ATOM 576 CE2 PHE A 40 -0.605 -17.714 4.683 1.00 0.00 C ATOM 577 CZ PHE A 40 0.248 -18.294 3.764 1.00 0.00 C ATOM 0 H PHE A 40 0.794 -15.923 8.363 1.00 0.00 H new ATOM 0 HA PHE A 40 3.316 -15.574 6.848 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.615 -14.292 6.296 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.057 -14.181 5.306 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.889 -16.231 4.107 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.872 -16.148 6.107 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.175 -18.213 2.843 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.587 -18.132 4.847 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.068 -19.164 3.207 1.00 0.00 H new ATOM 587 N ILE A 41 2.651 -14.057 9.319 1.00 0.00 N ATOM 588 CA ILE A 41 2.893 -12.927 10.208 1.00 0.00 C ATOM 589 C ILE A 41 4.329 -12.428 10.084 1.00 0.00 C ATOM 590 O ILE A 41 4.583 -11.380 9.491 1.00 0.00 O ATOM 591 CB ILE A 41 2.614 -13.296 11.677 1.00 0.00 C ATOM 592 CG1 ILE A 41 1.107 -13.371 11.929 1.00 0.00 C ATOM 593 CG2 ILE A 41 3.264 -12.285 12.610 1.00 0.00 C ATOM 594 CD1 ILE A 41 0.414 -12.029 11.849 1.00 0.00 C ATOM 0 H ILE A 41 2.509 -14.947 9.797 1.00 0.00 H new ATOM 0 HA ILE A 41 2.208 -12.135 9.905 1.00 0.00 H new ATOM 0 HB ILE A 41 3.046 -14.276 11.879 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.658 -14.047 11.201 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.933 -13.803 12.914 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.058 -12.560 13.645 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.341 -12.277 12.444 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.859 -11.293 12.410 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.652 -12.158 12.038 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.836 -11.356 12.596 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.557 -11.604 10.856 1.00 0.00 H new ATOM 606 N GLN A 42 5.263 -13.187 10.647 1.00 0.00 N ATOM 607 CA GLN A 42 6.674 -12.822 10.599 1.00 0.00 C ATOM 608 C GLN A 42 7.463 -13.809 9.744 1.00 0.00 C ATOM 609 O GLN A 42 6.914 -14.794 9.249 1.00 0.00 O ATOM 610 CB GLN A 42 7.259 -12.773 12.012 1.00 0.00 C ATOM 611 CG GLN A 42 7.190 -14.102 12.746 1.00 0.00 C ATOM 612 CD GLN A 42 8.128 -14.162 13.935 1.00 0.00 C ATOM 613 OE1 GLN A 42 8.110 -13.285 14.799 1.00 0.00 O ATOM 614 NE2 GLN A 42 8.954 -15.200 13.986 1.00 0.00 N ATOM 0 H GLN A 42 5.069 -14.058 11.141 1.00 0.00 H new ATOM 0 HA GLN A 42 6.752 -11.833 10.147 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.299 -12.453 11.954 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.725 -12.020 12.591 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.168 -14.273 13.085 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.435 -14.908 12.054 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.935 -15.904 13.248 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.608 -15.294 14.763 1.00 0.00 H new ATOM 623 N LEU A 43 8.752 -13.538 9.574 1.00 0.00 N ATOM 624 CA LEU A 43 9.617 -14.402 8.778 1.00 0.00 C ATOM 625 C LEU A 43 10.882 -14.765 9.549 1.00 0.00 C ATOM 626 O LEU A 43 11.300 -14.063 10.470 1.00 0.00 O ATOM 627 CB LEU A 43 9.987 -13.714 7.463 1.00 0.00 C ATOM 628 CG LEU A 43 8.907 -13.714 6.379 1.00 0.00 C ATOM 629 CD1 LEU A 43 9.394 -12.976 5.141 1.00 0.00 C ATOM 630 CD2 LEU A 43 8.502 -15.138 6.029 1.00 0.00 C ATOM 0 H LEU A 43 9.222 -12.727 9.977 1.00 0.00 H new ATOM 0 HA LEU A 43 9.071 -15.320 8.560 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.256 -12.680 7.680 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.877 -14.197 7.061 1.00 0.00 H new ATOM 0 HG LEU A 43 8.031 -13.194 6.766 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.613 -12.986 4.381 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.633 -11.945 5.402 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.286 -13.467 4.752 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.733 -15.118 5.257 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.371 -15.684 5.662 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.111 -15.634 6.917 1.00 0.00 H new ATOM 642 N PRO A 44 11.509 -15.886 9.163 1.00 0.00 N ATOM 643 CA PRO A 44 12.738 -16.365 9.803 1.00 0.00 C ATOM 644 C PRO A 44 13.937 -15.474 9.498 1.00 0.00 C ATOM 645 O PRO A 44 14.263 -15.232 8.336 1.00 0.00 O ATOM 646 CB PRO A 44 12.937 -17.755 9.193 1.00 0.00 C ATOM 647 CG PRO A 44 12.238 -17.695 7.878 1.00 0.00 C ATOM 648 CD PRO A 44 11.068 -16.771 8.073 1.00 0.00 C ATOM 0 HA PRO A 44 12.656 -16.368 10.890 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.995 -17.985 9.069 1.00 0.00 H new ATOM 0 HB3 PRO A 44 12.515 -18.531 9.831 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.903 -17.323 7.099 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.906 -18.685 7.567 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.844 -16.210 7.166 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.164 -17.318 8.341 1.00 0.00 H new ATOM 656 N SER A 45 14.590 -14.988 10.549 1.00 0.00 N ATOM 657 CA SER A 45 15.751 -14.119 10.393 1.00 0.00 C ATOM 658 C SER A 45 16.659 -14.623 9.275 1.00 0.00 C ATOM 659 O SER A 45 16.772 -15.827 9.047 1.00 0.00 O ATOM 660 CB SER A 45 16.534 -14.039 11.705 1.00 0.00 C ATOM 661 OG SER A 45 15.768 -13.411 12.718 1.00 0.00 O ATOM 0 H SER A 45 14.335 -15.181 11.518 1.00 0.00 H new ATOM 0 HA SER A 45 15.397 -13.123 10.129 1.00 0.00 H new ATOM 0 HB2 SER A 45 16.815 -15.042 12.026 1.00 0.00 H new ATOM 0 HB3 SER A 45 17.459 -13.484 11.547 1.00 0.00 H new ATOM 0 HG SER A 45 16.290 -13.374 13.547 1.00 0.00 H new ATOM 667 N ARG A 46 17.305 -13.691 8.582 1.00 0.00 N ATOM 668 CA ARG A 46 18.203 -14.039 7.487 1.00 0.00 C ATOM 669 C ARG A 46 19.380 -14.868 7.992 1.00 0.00 C ATOM 670 O ARG A 46 19.834 -15.796 7.321 1.00 0.00 O ATOM 671 CB ARG A 46 18.715 -12.773 6.797 1.00 0.00 C ATOM 672 CG ARG A 46 19.278 -13.022 5.407 1.00 0.00 C ATOM 673 CD ARG A 46 20.755 -13.378 5.460 1.00 0.00 C ATOM 674 NE ARG A 46 21.282 -13.726 4.143 1.00 0.00 N ATOM 675 CZ ARG A 46 22.579 -13.806 3.868 1.00 0.00 C ATOM 676 NH1 ARG A 46 23.477 -13.565 4.814 1.00 0.00 N ATOM 677 NH2 ARG A 46 22.980 -14.129 2.645 1.00 0.00 N ATOM 0 H ARG A 46 17.223 -12.690 8.759 1.00 0.00 H new ATOM 0 HA ARG A 46 17.643 -14.636 6.767 1.00 0.00 H new ATOM 0 HB2 ARG A 46 17.900 -12.053 6.726 1.00 0.00 H new ATOM 0 HB3 ARG A 46 19.488 -12.319 7.417 1.00 0.00 H new ATOM 0 HG2 ARG A 46 18.725 -13.830 4.929 1.00 0.00 H new ATOM 0 HG3 ARG A 46 19.139 -12.133 4.792 1.00 0.00 H new ATOM 0 HD2 ARG A 46 21.317 -12.536 5.864 1.00 0.00 H new ATOM 0 HD3 ARG A 46 20.902 -14.216 6.142 1.00 0.00 H new ATOM 0 HE ARG A 46 20.618 -13.918 3.393 1.00 0.00 H new ATOM 0 HH11 ARG A 46 23.172 -13.318 5.755 1.00 0.00 H new ATOM 0 HH12 ARG A 46 24.472 -13.627 4.600 1.00 0.00 H new ATOM 0 HH21 ARG A 46 22.292 -14.316 1.915 1.00 0.00 H new ATOM 0 HH22 ARG A 46 23.976 -14.190 2.434 1.00 0.00 H new ATOM 691 N LYS A 47 19.872 -14.526 9.178 1.00 0.00 N ATOM 692 CA LYS A 47 20.996 -15.238 9.774 1.00 0.00 C ATOM 693 C LYS A 47 20.656 -16.709 9.991 1.00 0.00 C ATOM 694 O LYS A 47 21.395 -17.595 9.564 1.00 0.00 O ATOM 695 CB LYS A 47 21.387 -14.592 11.106 1.00 0.00 C ATOM 696 CG LYS A 47 22.424 -15.382 11.884 1.00 0.00 C ATOM 697 CD LYS A 47 23.812 -15.218 11.289 1.00 0.00 C ATOM 698 CE LYS A 47 24.727 -16.368 11.682 1.00 0.00 C ATOM 699 NZ LYS A 47 24.266 -17.664 11.112 1.00 0.00 N ATOM 0 H LYS A 47 19.510 -13.760 9.746 1.00 0.00 H new ATOM 0 HA LYS A 47 21.839 -15.176 9.085 1.00 0.00 H new ATOM 0 HB2 LYS A 47 21.773 -13.591 10.915 1.00 0.00 H new ATOM 0 HB3 LYS A 47 20.494 -14.477 11.720 1.00 0.00 H new ATOM 0 HG2 LYS A 47 22.431 -15.051 12.922 1.00 0.00 H new ATOM 0 HG3 LYS A 47 22.151 -16.437 11.888 1.00 0.00 H new ATOM 0 HD2 LYS A 47 23.739 -15.165 10.203 1.00 0.00 H new ATOM 0 HD3 LYS A 47 24.245 -14.276 11.626 1.00 0.00 H new ATOM 0 HE2 LYS A 47 25.740 -16.160 11.338 1.00 0.00 H new ATOM 0 HE3 LYS A 47 24.769 -16.444 12.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 24.034 -18.320 11.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 23.421 -17.505 10.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 25.021 -18.073 10.525 1.00 0.00 H new ATOM 713 N GLU A 48 19.533 -16.960 10.656 1.00 0.00 N ATOM 714 CA GLU A 48 19.095 -18.324 10.928 1.00 0.00 C ATOM 715 C GLU A 48 18.848 -19.085 9.629 1.00 0.00 C ATOM 716 O GLU A 48 19.473 -20.114 9.370 1.00 0.00 O ATOM 717 CB GLU A 48 17.823 -18.316 11.777 1.00 0.00 C ATOM 718 CG GLU A 48 17.989 -17.616 13.116 1.00 0.00 C ATOM 719 CD GLU A 48 16.993 -18.097 14.154 1.00 0.00 C ATOM 720 OE1 GLU A 48 15.805 -17.728 14.051 1.00 0.00 O ATOM 721 OE2 GLU A 48 17.403 -18.843 15.068 1.00 0.00 O ATOM 0 H GLU A 48 18.910 -16.237 11.016 1.00 0.00 H new ATOM 0 HA GLU A 48 19.888 -18.829 11.480 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.026 -17.827 11.217 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.506 -19.344 11.951 1.00 0.00 H new ATOM 0 HG2 GLU A 48 19.001 -17.782 13.485 1.00 0.00 H new ATOM 0 HG3 GLU A 48 17.872 -16.541 12.977 1.00 0.00 H new ATOM 728 N LEU A 49 17.931 -18.573 8.816 1.00 0.00 N ATOM 729 CA LEU A 49 17.599 -19.203 7.543 1.00 0.00 C ATOM 730 C LEU A 49 17.976 -18.300 6.373 1.00 0.00 C ATOM 731 O LEU A 49 17.144 -17.586 5.814 1.00 0.00 O ATOM 732 CB LEU A 49 16.105 -19.531 7.488 1.00 0.00 C ATOM 733 CG LEU A 49 15.645 -20.362 6.290 1.00 0.00 C ATOM 734 CD1 LEU A 49 16.449 -21.649 6.192 1.00 0.00 C ATOM 735 CD2 LEU A 49 14.157 -20.668 6.393 1.00 0.00 C ATOM 0 H LEU A 49 17.404 -17.723 9.016 1.00 0.00 H new ATOM 0 HA LEU A 49 18.171 -20.127 7.463 1.00 0.00 H new ATOM 0 HB2 LEU A 49 15.837 -20.065 8.400 1.00 0.00 H new ATOM 0 HB3 LEU A 49 15.547 -18.594 7.491 1.00 0.00 H new ATOM 0 HG LEU A 49 15.815 -19.781 5.383 1.00 0.00 H new ATOM 0 HD11 LEU A 49 16.107 -22.227 5.333 1.00 0.00 H new ATOM 0 HD12 LEU A 49 17.505 -21.410 6.071 1.00 0.00 H new ATOM 0 HD13 LEU A 49 16.311 -22.234 7.101 1.00 0.00 H new ATOM 0 HD21 LEU A 49 13.847 -21.260 5.532 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.963 -21.228 7.308 1.00 0.00 H new ATOM 0 HD23 LEU A 49 13.594 -19.735 6.413 1.00 0.00 H new ATOM 747 N PRO A 50 19.262 -18.333 5.991 1.00 0.00 N ATOM 748 CA PRO A 50 19.779 -17.525 4.882 1.00 0.00 C ATOM 749 C PRO A 50 19.263 -18.002 3.528 1.00 0.00 C ATOM 750 O PRO A 50 18.987 -17.195 2.641 1.00 0.00 O ATOM 751 CB PRO A 50 21.294 -17.722 4.976 1.00 0.00 C ATOM 752 CG PRO A 50 21.463 -19.037 5.656 1.00 0.00 C ATOM 753 CD PRO A 50 20.309 -19.161 6.612 1.00 0.00 C ATOM 0 HA PRO A 50 19.465 -16.484 4.955 1.00 0.00 H new ATOM 0 HB2 PRO A 50 21.755 -17.725 3.988 1.00 0.00 H new ATOM 0 HB3 PRO A 50 21.763 -16.919 5.544 1.00 0.00 H new ATOM 0 HG2 PRO A 50 21.460 -19.853 4.933 1.00 0.00 H new ATOM 0 HG3 PRO A 50 22.415 -19.083 6.185 1.00 0.00 H new ATOM 0 HD2 PRO A 50 19.989 -20.197 6.723 1.00 0.00 H new ATOM 0 HD3 PRO A 50 20.570 -18.799 7.607 1.00 0.00 H new ATOM 761 N GLU A 51 19.134 -19.316 3.379 1.00 0.00 N ATOM 762 CA GLU A 51 18.650 -19.899 2.132 1.00 0.00 C ATOM 763 C GLU A 51 17.329 -19.262 1.710 1.00 0.00 C ATOM 764 O GLU A 51 17.140 -18.914 0.544 1.00 0.00 O ATOM 765 CB GLU A 51 18.475 -21.411 2.284 1.00 0.00 C ATOM 766 CG GLU A 51 17.231 -21.804 3.063 1.00 0.00 C ATOM 767 CD GLU A 51 17.243 -23.261 3.485 1.00 0.00 C ATOM 768 OE1 GLU A 51 18.194 -23.667 4.186 1.00 0.00 O ATOM 769 OE2 GLU A 51 16.303 -23.994 3.114 1.00 0.00 O ATOM 0 H GLU A 51 19.357 -19.997 4.105 1.00 0.00 H new ATOM 0 HA GLU A 51 19.391 -19.703 1.357 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.432 -21.865 1.294 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.352 -21.821 2.785 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.147 -21.174 3.948 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.349 -21.614 2.452 1.00 0.00 H new ATOM 776 N TYR A 52 16.419 -19.114 2.666 1.00 0.00 N ATOM 777 CA TYR A 52 15.115 -18.522 2.395 1.00 0.00 C ATOM 778 C TYR A 52 15.258 -17.227 1.601 1.00 0.00 C ATOM 779 O TYR A 52 14.480 -16.957 0.686 1.00 0.00 O ATOM 780 CB TYR A 52 14.371 -18.251 3.704 1.00 0.00 C ATOM 781 CG TYR A 52 12.994 -17.660 3.507 1.00 0.00 C ATOM 782 CD1 TYR A 52 12.810 -16.284 3.441 1.00 0.00 C ATOM 783 CD2 TYR A 52 11.876 -18.477 3.388 1.00 0.00 C ATOM 784 CE1 TYR A 52 11.553 -15.739 3.262 1.00 0.00 C ATOM 785 CE2 TYR A 52 10.616 -17.941 3.207 1.00 0.00 C ATOM 786 CZ TYR A 52 10.459 -16.572 3.145 1.00 0.00 C ATOM 787 OH TYR A 52 9.205 -16.034 2.966 1.00 0.00 O ATOM 0 H TYR A 52 16.561 -19.396 3.636 1.00 0.00 H new ATOM 0 HA TYR A 52 14.541 -19.231 1.799 1.00 0.00 H new ATOM 0 HB2 TYR A 52 14.280 -19.184 4.260 1.00 0.00 H new ATOM 0 HB3 TYR A 52 14.965 -17.571 4.315 1.00 0.00 H new ATOM 0 HD1 TYR A 52 13.664 -15.629 3.531 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.994 -19.549 3.438 1.00 0.00 H new ATOM 0 HE1 TYR A 52 11.427 -14.667 3.214 1.00 0.00 H new ATOM 0 HE2 TYR A 52 9.758 -18.590 3.114 1.00 0.00 H new ATOM 0 HH TYR A 52 8.546 -16.756 2.901 1.00 0.00 H new ATOM 797 N TYR A 53 16.259 -16.430 1.958 1.00 0.00 N ATOM 798 CA TYR A 53 16.506 -15.162 1.282 1.00 0.00 C ATOM 799 C TYR A 53 17.242 -15.382 -0.037 1.00 0.00 C ATOM 800 O TYR A 53 17.201 -14.538 -0.931 1.00 0.00 O ATOM 801 CB TYR A 53 17.317 -14.229 2.182 1.00 0.00 C ATOM 802 CG TYR A 53 16.543 -13.715 3.375 1.00 0.00 C ATOM 803 CD1 TYR A 53 16.086 -14.582 4.359 1.00 0.00 C ATOM 804 CD2 TYR A 53 16.268 -12.360 3.517 1.00 0.00 C ATOM 805 CE1 TYR A 53 15.378 -14.117 5.449 1.00 0.00 C ATOM 806 CE2 TYR A 53 15.562 -11.885 4.606 1.00 0.00 C ATOM 807 CZ TYR A 53 15.118 -12.767 5.568 1.00 0.00 C ATOM 808 OH TYR A 53 14.414 -12.299 6.654 1.00 0.00 O ATOM 0 H TYR A 53 16.913 -16.640 2.712 1.00 0.00 H new ATOM 0 HA TYR A 53 15.542 -14.701 1.067 1.00 0.00 H new ATOM 0 HB2 TYR A 53 18.203 -14.757 2.534 1.00 0.00 H new ATOM 0 HB3 TYR A 53 17.665 -13.381 1.592 1.00 0.00 H new ATOM 0 HD1 TYR A 53 16.288 -15.639 4.270 1.00 0.00 H new ATOM 0 HD2 TYR A 53 16.612 -11.667 2.764 1.00 0.00 H new ATOM 0 HE1 TYR A 53 15.030 -14.806 6.204 1.00 0.00 H new ATOM 0 HE2 TYR A 53 15.359 -10.829 4.703 1.00 0.00 H new ATOM 0 HH TYR A 53 14.318 -11.326 6.587 1.00 0.00 H new ATOM 818 N GLU A 54 17.914 -16.523 -0.148 1.00 0.00 N ATOM 819 CA GLU A 54 18.660 -16.855 -1.357 1.00 0.00 C ATOM 820 C GLU A 54 17.715 -17.094 -2.531 1.00 0.00 C ATOM 821 O GLU A 54 17.848 -16.472 -3.586 1.00 0.00 O ATOM 822 CB GLU A 54 19.526 -18.094 -1.124 1.00 0.00 C ATOM 823 CG GLU A 54 20.632 -17.882 -0.105 1.00 0.00 C ATOM 824 CD GLU A 54 21.698 -16.919 -0.592 1.00 0.00 C ATOM 825 OE1 GLU A 54 21.929 -16.859 -1.817 1.00 0.00 O ATOM 826 OE2 GLU A 54 22.300 -16.225 0.254 1.00 0.00 O ATOM 0 H GLU A 54 17.958 -17.233 0.583 1.00 0.00 H new ATOM 0 HA GLU A 54 19.305 -16.010 -1.599 1.00 0.00 H new ATOM 0 HB2 GLU A 54 18.890 -18.914 -0.791 1.00 0.00 H new ATOM 0 HB3 GLU A 54 19.970 -18.399 -2.071 1.00 0.00 H new ATOM 0 HG2 GLU A 54 20.200 -17.502 0.821 1.00 0.00 H new ATOM 0 HG3 GLU A 54 21.094 -18.841 0.129 1.00 0.00 H new ATOM 833 N LEU A 55 16.761 -17.999 -2.340 1.00 0.00 N ATOM 834 CA LEU A 55 15.793 -18.322 -3.383 1.00 0.00 C ATOM 835 C LEU A 55 14.786 -17.190 -3.560 1.00 0.00 C ATOM 836 O LEU A 55 14.503 -16.768 -4.681 1.00 0.00 O ATOM 837 CB LEU A 55 15.063 -19.622 -3.043 1.00 0.00 C ATOM 838 CG LEU A 55 14.940 -19.953 -1.555 1.00 0.00 C ATOM 839 CD1 LEU A 55 13.642 -20.697 -1.279 1.00 0.00 C ATOM 840 CD2 LEU A 55 16.135 -20.772 -1.090 1.00 0.00 C ATOM 0 H LEU A 55 16.637 -18.522 -1.473 1.00 0.00 H new ATOM 0 HA LEU A 55 16.334 -18.451 -4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 55 14.061 -19.574 -3.468 1.00 0.00 H new ATOM 0 HB3 LEU A 55 15.580 -20.445 -3.536 1.00 0.00 H new ATOM 0 HG LEU A 55 14.925 -19.018 -0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.572 -20.924 -0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.797 -20.075 -1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.626 -21.625 -1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 55 16.030 -20.998 -0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 55 16.181 -21.702 -1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 55 17.051 -20.203 -1.251 1.00 0.00 H new ATOM 852 N ILE A 56 14.250 -16.702 -2.446 1.00 0.00 N ATOM 853 CA ILE A 56 13.277 -15.618 -2.478 1.00 0.00 C ATOM 854 C ILE A 56 13.924 -14.312 -2.927 1.00 0.00 C ATOM 855 O ILE A 56 15.096 -14.059 -2.646 1.00 0.00 O ATOM 856 CB ILE A 56 12.623 -15.406 -1.100 1.00 0.00 C ATOM 857 CG1 ILE A 56 11.916 -16.684 -0.645 1.00 0.00 C ATOM 858 CG2 ILE A 56 11.645 -14.242 -1.151 1.00 0.00 C ATOM 859 CD1 ILE A 56 10.944 -17.233 -1.667 1.00 0.00 C ATOM 0 H ILE A 56 14.474 -17.041 -1.510 1.00 0.00 H new ATOM 0 HA ILE A 56 12.508 -15.906 -3.195 1.00 0.00 H new ATOM 0 HB ILE A 56 13.403 -15.168 -0.377 1.00 0.00 H new ATOM 0 HG12 ILE A 56 12.665 -17.444 -0.422 1.00 0.00 H new ATOM 0 HG13 ILE A 56 11.380 -16.483 0.283 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.191 -14.105 -0.170 1.00 0.00 H new ATOM 0 HG22 ILE A 56 12.175 -13.333 -1.436 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.867 -14.453 -1.884 1.00 0.00 H new ATOM 0 HD11 ILE A 56 10.480 -18.139 -1.277 1.00 0.00 H new ATOM 0 HD12 ILE A 56 10.174 -16.490 -1.872 1.00 0.00 H new ATOM 0 HD13 ILE A 56 11.478 -17.466 -2.588 1.00 0.00 H new ATOM 871 N ARG A 57 13.153 -13.485 -3.626 1.00 0.00 N ATOM 872 CA ARG A 57 13.651 -12.204 -4.113 1.00 0.00 C ATOM 873 C ARG A 57 13.328 -11.085 -3.128 1.00 0.00 C ATOM 874 O ARG A 57 14.185 -10.263 -2.802 1.00 0.00 O ATOM 875 CB ARG A 57 13.045 -11.885 -5.481 1.00 0.00 C ATOM 876 CG ARG A 57 11.638 -12.427 -5.665 1.00 0.00 C ATOM 877 CD ARG A 57 11.654 -13.895 -6.061 1.00 0.00 C ATOM 878 NE ARG A 57 11.701 -14.071 -7.510 1.00 0.00 N ATOM 879 CZ ARG A 57 10.735 -13.675 -8.331 1.00 0.00 C ATOM 880 NH1 ARG A 57 9.651 -13.083 -7.847 1.00 0.00 N ATOM 881 NH2 ARG A 57 10.851 -13.870 -9.638 1.00 0.00 N ATOM 0 H ARG A 57 12.181 -13.679 -3.868 1.00 0.00 H new ATOM 0 HA ARG A 57 14.734 -12.277 -4.211 1.00 0.00 H new ATOM 0 HB2 ARG A 57 13.030 -10.804 -5.619 1.00 0.00 H new ATOM 0 HB3 ARG A 57 13.688 -12.296 -6.259 1.00 0.00 H new ATOM 0 HG2 ARG A 57 11.076 -12.305 -4.739 1.00 0.00 H new ATOM 0 HG3 ARG A 57 11.121 -11.848 -6.430 1.00 0.00 H new ATOM 0 HD2 ARG A 57 12.517 -14.383 -5.608 1.00 0.00 H new ATOM 0 HD3 ARG A 57 10.766 -14.387 -5.665 1.00 0.00 H new ATOM 0 HE ARG A 57 12.521 -14.523 -7.914 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.558 -12.931 -6.843 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.910 -12.780 -8.479 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.683 -14.325 -10.014 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.108 -13.565 -10.267 1.00 0.00 H new ATOM 895 N LYS A 58 12.086 -11.058 -2.657 1.00 0.00 N ATOM 896 CA LYS A 58 11.648 -10.041 -1.709 1.00 0.00 C ATOM 897 C LYS A 58 10.900 -10.673 -0.539 1.00 0.00 C ATOM 898 O LYS A 58 9.671 -10.750 -0.526 1.00 0.00 O ATOM 899 CB LYS A 58 10.752 -9.015 -2.407 1.00 0.00 C ATOM 900 CG LYS A 58 11.503 -8.099 -3.358 1.00 0.00 C ATOM 901 CD LYS A 58 12.356 -7.092 -2.605 1.00 0.00 C ATOM 902 CE LYS A 58 11.515 -5.952 -2.051 1.00 0.00 C ATOM 903 NZ LYS A 58 12.264 -5.147 -1.047 1.00 0.00 N ATOM 0 H LYS A 58 11.364 -11.730 -2.917 1.00 0.00 H new ATOM 0 HA LYS A 58 12.533 -9.537 -1.321 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.974 -9.541 -2.961 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.251 -8.409 -1.652 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.137 -8.695 -4.014 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.792 -7.572 -3.994 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.875 -7.593 -1.788 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.120 -6.691 -3.271 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.195 -5.306 -2.869 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.613 -6.356 -1.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.657 -4.380 -0.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.548 -5.757 -0.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.112 -4.740 -1.491 1.00 0.00 H new ATOM 917 N PRO A 59 11.656 -11.136 0.467 1.00 0.00 N ATOM 918 CA PRO A 59 11.085 -11.767 1.661 1.00 0.00 C ATOM 919 C PRO A 59 10.344 -10.771 2.545 1.00 0.00 C ATOM 920 O PRO A 59 10.899 -10.252 3.514 1.00 0.00 O ATOM 921 CB PRO A 59 12.312 -12.321 2.390 1.00 0.00 C ATOM 922 CG PRO A 59 13.442 -11.462 1.938 1.00 0.00 C ATOM 923 CD PRO A 59 13.127 -11.077 0.518 1.00 0.00 C ATOM 0 HA PRO A 59 10.345 -12.526 1.407 1.00 0.00 H new ATOM 0 HB2 PRO A 59 12.185 -12.272 3.472 1.00 0.00 H new ATOM 0 HB3 PRO A 59 12.484 -13.367 2.137 1.00 0.00 H new ATOM 0 HG2 PRO A 59 13.538 -10.579 2.570 1.00 0.00 H new ATOM 0 HG3 PRO A 59 14.388 -12.000 1.996 1.00 0.00 H new ATOM 0 HD2 PRO A 59 13.498 -10.080 0.280 1.00 0.00 H new ATOM 0 HD3 PRO A 59 13.582 -11.765 -0.195 1.00 0.00 H new ATOM 931 N VAL A 60 9.086 -10.507 2.207 1.00 0.00 N ATOM 932 CA VAL A 60 8.268 -9.574 2.971 1.00 0.00 C ATOM 933 C VAL A 60 7.212 -10.310 3.788 1.00 0.00 C ATOM 934 O VAL A 60 6.943 -11.489 3.556 1.00 0.00 O ATOM 935 CB VAL A 60 7.571 -8.554 2.051 1.00 0.00 C ATOM 936 CG1 VAL A 60 6.394 -9.198 1.335 1.00 0.00 C ATOM 937 CG2 VAL A 60 7.120 -7.339 2.848 1.00 0.00 C ATOM 0 H VAL A 60 8.611 -10.927 1.408 1.00 0.00 H new ATOM 0 HA VAL A 60 8.940 -9.043 3.645 1.00 0.00 H new ATOM 0 HB VAL A 60 8.286 -8.222 1.298 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.914 -8.462 0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.748 -10.034 0.732 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.675 -9.560 2.070 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.630 -6.629 2.182 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.421 -7.652 3.624 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.986 -6.865 3.310 1.00 0.00 H new ATOM 947 N ASP A 61 6.615 -9.607 4.745 1.00 0.00 N ATOM 948 CA ASP A 61 5.586 -10.194 5.596 1.00 0.00 C ATOM 949 C ASP A 61 4.531 -9.156 5.966 1.00 0.00 C ATOM 950 O ASP A 61 4.607 -8.001 5.545 1.00 0.00 O ATOM 951 CB ASP A 61 6.214 -10.776 6.863 1.00 0.00 C ATOM 952 CG ASP A 61 6.905 -9.722 7.704 1.00 0.00 C ATOM 953 OD1 ASP A 61 6.206 -8.831 8.231 1.00 0.00 O ATOM 954 OD2 ASP A 61 8.145 -9.786 7.836 1.00 0.00 O ATOM 0 H ASP A 61 6.826 -8.630 4.951 1.00 0.00 H new ATOM 0 HA ASP A 61 5.101 -10.996 5.039 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.441 -11.262 7.458 1.00 0.00 H new ATOM 0 HB3 ASP A 61 6.934 -11.546 6.587 1.00 0.00 H new ATOM 959 N PHE A 62 3.548 -9.575 6.755 1.00 0.00 N ATOM 960 CA PHE A 62 2.476 -8.683 7.181 1.00 0.00 C ATOM 961 C PHE A 62 3.003 -7.617 8.138 1.00 0.00 C ATOM 962 O PHE A 62 2.785 -6.422 7.936 1.00 0.00 O ATOM 963 CB PHE A 62 1.357 -9.480 7.855 1.00 0.00 C ATOM 964 CG PHE A 62 0.300 -9.954 6.899 1.00 0.00 C ATOM 965 CD1 PHE A 62 -0.487 -9.046 6.210 1.00 0.00 C ATOM 966 CD2 PHE A 62 0.094 -11.308 6.689 1.00 0.00 C ATOM 967 CE1 PHE A 62 -1.462 -9.479 5.331 1.00 0.00 C ATOM 968 CE2 PHE A 62 -0.879 -11.748 5.811 1.00 0.00 C ATOM 969 CZ PHE A 62 -1.657 -10.832 5.130 1.00 0.00 C ATOM 0 H PHE A 62 3.471 -10.527 7.113 1.00 0.00 H new ATOM 0 HA PHE A 62 2.077 -8.187 6.296 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.790 -10.342 8.362 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.891 -8.860 8.621 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.337 -7.987 6.361 1.00 0.00 H new ATOM 0 HD2 PHE A 62 0.701 -12.028 7.218 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.071 -8.761 4.802 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.031 -12.806 5.658 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.416 -11.173 4.442 1.00 0.00 H new ATOM 979 N LYS A 63 3.698 -8.058 9.181 1.00 0.00 N ATOM 980 CA LYS A 63 4.258 -7.145 10.169 1.00 0.00 C ATOM 981 C LYS A 63 4.890 -5.932 9.493 1.00 0.00 C ATOM 982 O LYS A 63 4.742 -4.802 9.959 1.00 0.00 O ATOM 983 CB LYS A 63 5.301 -7.865 11.027 1.00 0.00 C ATOM 984 CG LYS A 63 4.698 -8.782 12.077 1.00 0.00 C ATOM 985 CD LYS A 63 5.664 -9.884 12.477 1.00 0.00 C ATOM 986 CE LYS A 63 6.678 -9.392 13.499 1.00 0.00 C ATOM 987 NZ LYS A 63 6.042 -9.096 14.813 1.00 0.00 N ATOM 0 H LYS A 63 3.887 -9.044 9.364 1.00 0.00 H new ATOM 0 HA LYS A 63 3.446 -6.800 10.809 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.952 -8.450 10.377 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.927 -7.123 11.522 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.425 -8.199 12.957 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.780 -9.225 11.691 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.107 -10.725 12.891 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.185 -10.251 11.593 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.454 -10.146 13.633 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.167 -8.494 13.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.765 -9.112 15.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.599 -8.156 14.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.317 -9.813 15.017 1.00 0.00 H new ATOM 1001 N LYS A 64 5.593 -6.174 8.393 1.00 0.00 N ATOM 1002 CA LYS A 64 6.246 -5.102 7.650 1.00 0.00 C ATOM 1003 C LYS A 64 5.220 -4.255 6.903 1.00 0.00 C ATOM 1004 O LYS A 64 5.073 -3.062 7.172 1.00 0.00 O ATOM 1005 CB LYS A 64 7.260 -5.682 6.662 1.00 0.00 C ATOM 1006 CG LYS A 64 8.406 -6.422 7.331 1.00 0.00 C ATOM 1007 CD LYS A 64 9.404 -5.459 7.952 1.00 0.00 C ATOM 1008 CE LYS A 64 10.444 -5.005 6.940 1.00 0.00 C ATOM 1009 NZ LYS A 64 11.617 -5.922 6.900 1.00 0.00 N ATOM 0 H LYS A 64 5.726 -7.104 7.995 1.00 0.00 H new ATOM 0 HA LYS A 64 6.768 -4.465 8.364 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.746 -6.363 5.984 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.666 -4.873 6.054 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.012 -7.086 8.101 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.912 -7.050 6.598 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.876 -4.591 8.347 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.900 -5.941 8.794 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.990 -4.953 5.951 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.779 -3.998 7.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.303 -5.578 6.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.066 -5.952 7.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.302 -6.877 6.636 1.00 0.00 H new ATOM 1023 N ILE A 65 4.513 -4.879 5.967 1.00 0.00 N ATOM 1024 CA ILE A 65 3.500 -4.182 5.185 1.00 0.00 C ATOM 1025 C ILE A 65 2.733 -3.182 6.044 1.00 0.00 C ATOM 1026 O ILE A 65 2.461 -2.060 5.617 1.00 0.00 O ATOM 1027 CB ILE A 65 2.502 -5.169 4.551 1.00 0.00 C ATOM 1028 CG1 ILE A 65 3.152 -5.902 3.376 1.00 0.00 C ATOM 1029 CG2 ILE A 65 1.248 -4.435 4.096 1.00 0.00 C ATOM 1030 CD1 ILE A 65 2.339 -7.073 2.869 1.00 0.00 C ATOM 0 H ILE A 65 4.623 -5.865 5.732 1.00 0.00 H new ATOM 0 HA ILE A 65 4.025 -3.648 4.393 1.00 0.00 H new ATOM 0 HB ILE A 65 2.217 -5.906 5.301 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.307 -5.197 2.559 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.136 -6.258 3.680 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.552 -5.146 3.650 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.776 -3.955 4.953 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.517 -3.679 3.359 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.861 -7.545 2.036 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.206 -7.798 3.672 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.364 -6.721 2.533 1.00 0.00 H new ATOM 1042 N LYS A 66 2.388 -3.596 7.258 1.00 0.00 N ATOM 1043 CA LYS A 66 1.656 -2.737 8.180 1.00 0.00 C ATOM 1044 C LYS A 66 2.557 -1.638 8.733 1.00 0.00 C ATOM 1045 O LYS A 66 2.155 -0.479 8.822 1.00 0.00 O ATOM 1046 CB LYS A 66 1.078 -3.564 9.331 1.00 0.00 C ATOM 1047 CG LYS A 66 -0.220 -4.271 8.980 1.00 0.00 C ATOM 1048 CD LYS A 66 -1.110 -4.441 10.199 1.00 0.00 C ATOM 1049 CE LYS A 66 -2.040 -3.252 10.381 1.00 0.00 C ATOM 1050 NZ LYS A 66 -1.295 -2.017 10.753 1.00 0.00 N ATOM 0 H LYS A 66 2.604 -4.522 7.626 1.00 0.00 H new ATOM 0 HA LYS A 66 0.839 -2.270 7.630 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.814 -4.306 9.640 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.906 -2.911 10.186 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.751 -3.701 8.217 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.002 -5.248 8.551 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.699 -5.352 10.096 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.491 -4.560 11.089 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.593 -3.079 9.458 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.774 -3.480 11.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.951 -1.330 11.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.552 -2.254 11.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.861 -1.604 9.903 1.00 0.00 H new ATOM 1064 N GLU A 67 3.779 -2.011 9.103 1.00 0.00 N ATOM 1065 CA GLU A 67 4.737 -1.055 9.646 1.00 0.00 C ATOM 1066 C GLU A 67 4.786 0.210 8.795 1.00 0.00 C ATOM 1067 O GLU A 67 4.756 1.324 9.318 1.00 0.00 O ATOM 1068 CB GLU A 67 6.130 -1.684 9.725 1.00 0.00 C ATOM 1069 CG GLU A 67 7.120 -0.871 10.541 1.00 0.00 C ATOM 1070 CD GLU A 67 8.559 -1.126 10.135 1.00 0.00 C ATOM 1071 OE1 GLU A 67 8.918 -0.800 8.985 1.00 0.00 O ATOM 1072 OE2 GLU A 67 9.325 -1.652 10.970 1.00 0.00 O ATOM 0 H GLU A 67 4.128 -2.967 9.037 1.00 0.00 H new ATOM 0 HA GLU A 67 4.411 -0.784 10.650 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.045 -2.680 10.160 1.00 0.00 H new ATOM 0 HB3 GLU A 67 6.521 -1.809 8.715 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.896 0.189 10.425 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.997 -1.109 11.597 1.00 0.00 H new ATOM 1079 N ARG A 68 4.861 0.030 7.481 1.00 0.00 N ATOM 1080 CA ARG A 68 4.916 1.156 6.557 1.00 0.00 C ATOM 1081 C ARG A 68 3.681 2.040 6.703 1.00 0.00 C ATOM 1082 O ARG A 68 3.787 3.264 6.781 1.00 0.00 O ATOM 1083 CB ARG A 68 5.030 0.656 5.116 1.00 0.00 C ATOM 1084 CG ARG A 68 6.236 -0.237 4.874 1.00 0.00 C ATOM 1085 CD ARG A 68 6.578 -0.323 3.395 1.00 0.00 C ATOM 1086 NE ARG A 68 7.711 -1.211 3.147 1.00 0.00 N ATOM 1087 CZ ARG A 68 8.450 -1.168 2.044 1.00 0.00 C ATOM 1088 NH1 ARG A 68 8.177 -0.285 1.093 1.00 0.00 N ATOM 1089 NH2 ARG A 68 9.465 -2.009 1.890 1.00 0.00 N ATOM 0 H ARG A 68 4.885 -0.885 7.032 1.00 0.00 H new ATOM 0 HA ARG A 68 5.798 1.749 6.799 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.124 0.107 4.858 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.084 1.514 4.446 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.093 0.150 5.425 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.034 -1.236 5.260 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.709 -0.680 2.842 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.809 0.673 3.017 1.00 0.00 H new ATOM 0 HE ARG A 68 7.948 -1.902 3.859 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.398 0.363 1.207 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.746 -0.254 0.247 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.679 -2.690 2.619 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.032 -1.975 1.043 1.00 0.00 H new ATOM 1103 N ILE A 69 2.511 1.411 6.740 1.00 0.00 N ATOM 1104 CA ILE A 69 1.256 2.141 6.878 1.00 0.00 C ATOM 1105 C ILE A 69 1.299 3.087 8.073 1.00 0.00 C ATOM 1106 O ILE A 69 0.976 4.269 7.953 1.00 0.00 O ATOM 1107 CB ILE A 69 0.062 1.182 7.039 1.00 0.00 C ATOM 1108 CG1 ILE A 69 -0.121 0.343 5.772 1.00 0.00 C ATOM 1109 CG2 ILE A 69 -1.206 1.962 7.351 1.00 0.00 C ATOM 1110 CD1 ILE A 69 -1.328 -0.568 5.819 1.00 0.00 C ATOM 0 H ILE A 69 2.406 0.398 6.676 1.00 0.00 H new ATOM 0 HA ILE A 69 1.125 2.720 5.964 1.00 0.00 H new ATOM 0 HB ILE A 69 0.266 0.509 7.872 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.212 1.010 4.915 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.773 -0.260 5.613 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.041 1.270 7.462 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.071 2.520 8.278 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.416 2.656 6.537 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.395 -1.132 4.888 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.230 -1.259 6.656 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.230 0.030 5.947 1.00 0.00 H new ATOM 1122 N ARG A 70 1.700 2.559 9.224 1.00 0.00 N ATOM 1123 CA ARG A 70 1.786 3.356 10.442 1.00 0.00 C ATOM 1124 C ARG A 70 3.021 4.253 10.418 1.00 0.00 C ATOM 1125 O ARG A 70 3.053 5.298 11.067 1.00 0.00 O ATOM 1126 CB ARG A 70 1.827 2.447 11.671 1.00 0.00 C ATOM 1127 CG ARG A 70 3.007 1.489 11.681 1.00 0.00 C ATOM 1128 CD ARG A 70 3.040 0.660 12.955 1.00 0.00 C ATOM 1129 NE ARG A 70 3.140 1.495 14.149 1.00 0.00 N ATOM 1130 CZ ARG A 70 4.273 2.049 14.566 1.00 0.00 C ATOM 1131 NH1 ARG A 70 5.397 1.857 13.889 1.00 0.00 N ATOM 1132 NH2 ARG A 70 4.284 2.796 15.662 1.00 0.00 N ATOM 0 H ARG A 70 1.971 1.582 9.339 1.00 0.00 H new ATOM 0 HA ARG A 70 0.899 3.988 10.496 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.864 3.065 12.568 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.902 1.872 11.718 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.948 0.828 10.817 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.935 2.052 11.588 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.139 0.050 13.014 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.887 -0.025 12.920 1.00 0.00 H new ATOM 0 HE ARG A 70 2.293 1.662 14.693 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.393 1.283 13.046 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.266 2.284 14.211 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.422 2.946 16.186 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.155 3.221 15.981 1.00 0.00 H new ATOM 1146 N ASN A 71 4.034 3.836 9.667 1.00 0.00 N ATOM 1147 CA ASN A 71 5.271 4.601 9.560 1.00 0.00 C ATOM 1148 C ASN A 71 5.241 5.517 8.340 1.00 0.00 C ATOM 1149 O ASN A 71 6.284 5.961 7.857 1.00 0.00 O ATOM 1150 CB ASN A 71 6.473 3.658 9.474 1.00 0.00 C ATOM 1151 CG ASN A 71 6.830 3.053 10.818 1.00 0.00 C ATOM 1152 OD1 ASN A 71 6.128 3.255 11.809 1.00 0.00 O ATOM 1153 ND2 ASN A 71 7.928 2.307 10.858 1.00 0.00 N ATOM 0 H ASN A 71 4.023 2.973 9.123 1.00 0.00 H new ATOM 0 HA ASN A 71 5.365 5.218 10.453 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.255 2.859 8.765 1.00 0.00 H new ATOM 0 HB3 ASN A 71 7.332 4.204 9.084 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.219 1.875 11.735 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.480 2.166 10.012 1.00 0.00 H new ATOM 1160 N HIS A 72 4.039 5.795 7.845 1.00 0.00 N ATOM 1161 CA HIS A 72 3.873 6.659 6.681 1.00 0.00 C ATOM 1162 C HIS A 72 5.002 6.442 5.678 1.00 0.00 C ATOM 1163 O HIS A 72 5.450 7.381 5.019 1.00 0.00 O ATOM 1164 CB HIS A 72 3.830 8.126 7.111 1.00 0.00 C ATOM 1165 CG HIS A 72 2.999 8.368 8.332 1.00 0.00 C ATOM 1166 ND1 HIS A 72 1.767 8.987 8.293 1.00 0.00 N ATOM 1167 CD2 HIS A 72 3.227 8.070 9.633 1.00 0.00 C ATOM 1168 CE1 HIS A 72 1.275 9.061 9.517 1.00 0.00 C ATOM 1169 NE2 HIS A 72 2.141 8.511 10.349 1.00 0.00 N ATOM 0 H HIS A 72 3.166 5.435 8.231 1.00 0.00 H new ATOM 0 HA HIS A 72 2.930 6.402 6.199 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.847 8.471 7.299 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.437 8.725 6.290 1.00 0.00 H new ATOM 0 HD1 HIS A 72 1.308 9.333 7.451 1.00 0.00 H new ATOM 0 HD2 HIS A 72 4.101 7.577 10.033 1.00 0.00 H new ATOM 0 HE1 HIS A 72 0.326 9.497 9.791 1.00 0.00 H new ATOM 1178 N LYS A 73 5.459 5.200 5.568 1.00 0.00 N ATOM 1179 CA LYS A 73 6.535 4.859 4.645 1.00 0.00 C ATOM 1180 C LYS A 73 6.009 4.732 3.219 1.00 0.00 C ATOM 1181 O LYS A 73 6.545 5.342 2.293 1.00 0.00 O ATOM 1182 CB LYS A 73 7.204 3.550 5.072 1.00 0.00 C ATOM 1183 CG LYS A 73 8.675 3.470 4.699 1.00 0.00 C ATOM 1184 CD LYS A 73 9.392 2.389 5.490 1.00 0.00 C ATOM 1185 CE LYS A 73 9.351 1.050 4.769 1.00 0.00 C ATOM 1186 NZ LYS A 73 10.519 0.873 3.861 1.00 0.00 N ATOM 0 H LYS A 73 5.101 4.412 6.107 1.00 0.00 H new ATOM 0 HA LYS A 73 7.271 5.662 4.671 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.105 3.436 6.151 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.675 2.715 4.613 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.770 3.266 3.633 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.151 4.433 4.883 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.429 2.684 5.654 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.930 2.289 6.472 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.335 0.243 5.502 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.429 0.976 4.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.491 -0.078 3.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.483 1.587 3.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.400 0.986 4.402 1.00 0.00 H new ATOM 1200 N TYR A 74 4.958 3.938 3.049 1.00 0.00 N ATOM 1201 CA TYR A 74 4.360 3.732 1.736 1.00 0.00 C ATOM 1202 C TYR A 74 4.103 5.064 1.038 1.00 0.00 C ATOM 1203 O TYR A 74 4.126 6.121 1.668 1.00 0.00 O ATOM 1204 CB TYR A 74 3.052 2.950 1.864 1.00 0.00 C ATOM 1205 CG TYR A 74 3.235 1.450 1.815 1.00 0.00 C ATOM 1206 CD1 TYR A 74 3.963 0.852 0.793 1.00 0.00 C ATOM 1207 CD2 TYR A 74 2.681 0.630 2.791 1.00 0.00 C ATOM 1208 CE1 TYR A 74 4.132 -0.518 0.744 1.00 0.00 C ATOM 1209 CE2 TYR A 74 2.846 -0.741 2.750 1.00 0.00 C ATOM 1210 CZ TYR A 74 3.572 -1.310 1.725 1.00 0.00 C ATOM 1211 OH TYR A 74 3.740 -2.675 1.680 1.00 0.00 O ATOM 0 H TYR A 74 4.502 3.426 3.805 1.00 0.00 H new ATOM 0 HA TYR A 74 5.062 3.156 1.133 1.00 0.00 H new ATOM 0 HB2 TYR A 74 2.569 3.218 2.804 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.378 3.252 1.062 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.404 1.469 0.024 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.112 1.072 3.595 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.699 -0.967 -0.058 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.409 -1.364 3.516 1.00 0.00 H new ATOM 0 HH TYR A 74 4.696 -2.888 1.708 1.00 0.00 H new ATOM 1221 N ARG A 75 3.858 5.003 -0.267 1.00 0.00 N ATOM 1222 CA ARG A 75 3.597 6.204 -1.052 1.00 0.00 C ATOM 1223 C ARG A 75 2.207 6.152 -1.678 1.00 0.00 C ATOM 1224 O ARG A 75 1.523 7.171 -1.780 1.00 0.00 O ATOM 1225 CB ARG A 75 4.655 6.365 -2.145 1.00 0.00 C ATOM 1226 CG ARG A 75 5.936 7.025 -1.661 1.00 0.00 C ATOM 1227 CD ARG A 75 7.055 6.884 -2.680 1.00 0.00 C ATOM 1228 NE ARG A 75 7.554 5.514 -2.759 1.00 0.00 N ATOM 1229 CZ ARG A 75 8.754 5.195 -3.231 1.00 0.00 C ATOM 1230 NH1 ARG A 75 9.574 6.143 -3.663 1.00 0.00 N ATOM 1231 NH2 ARG A 75 9.136 3.925 -3.272 1.00 0.00 N ATOM 0 H ARG A 75 3.835 4.135 -0.803 1.00 0.00 H new ATOM 0 HA ARG A 75 3.643 7.063 -0.382 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.894 5.384 -2.554 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.237 6.957 -2.959 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.751 8.081 -1.466 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.244 6.576 -0.717 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.694 7.195 -3.660 1.00 0.00 H new ATOM 0 HD3 ARG A 75 7.873 7.553 -2.414 1.00 0.00 H new ATOM 0 HE ARG A 75 6.948 4.761 -2.434 1.00 0.00 H new ATOM 0 HH11 ARG A 75 9.284 7.120 -3.633 1.00 0.00 H new ATOM 0 HH12 ARG A 75 10.495 5.895 -4.025 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.508 3.193 -2.941 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.058 3.681 -3.635 1.00 0.00 H new ATOM 1245 N SER A 76 1.796 4.960 -2.097 1.00 0.00 N ATOM 1246 CA SER A 76 0.490 4.776 -2.718 1.00 0.00 C ATOM 1247 C SER A 76 0.068 3.310 -2.673 1.00 0.00 C ATOM 1248 O SER A 76 0.907 2.413 -2.575 1.00 0.00 O ATOM 1249 CB SER A 76 0.516 5.266 -4.167 1.00 0.00 C ATOM 1250 OG SER A 76 0.643 6.676 -4.226 1.00 0.00 O ATOM 0 H SER A 76 2.349 4.107 -2.018 1.00 0.00 H new ATOM 0 HA SER A 76 -0.237 5.363 -2.156 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.347 4.800 -4.697 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.398 4.958 -4.675 1.00 0.00 H new ATOM 0 HG SER A 76 0.604 7.046 -3.319 1.00 0.00 H new ATOM 1256 N LEU A 77 -1.237 3.074 -2.744 1.00 0.00 N ATOM 1257 CA LEU A 77 -1.773 1.718 -2.711 1.00 0.00 C ATOM 1258 C LEU A 77 -0.922 0.776 -3.558 1.00 0.00 C ATOM 1259 O LEU A 77 -0.620 -0.343 -3.146 1.00 0.00 O ATOM 1260 CB LEU A 77 -3.218 1.707 -3.211 1.00 0.00 C ATOM 1261 CG LEU A 77 -4.297 1.924 -2.150 1.00 0.00 C ATOM 1262 CD1 LEU A 77 -5.641 2.203 -2.805 1.00 0.00 C ATOM 1263 CD2 LEU A 77 -4.391 0.716 -1.230 1.00 0.00 C ATOM 0 H LEU A 77 -1.944 3.805 -2.825 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.750 1.370 -1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.324 2.480 -3.972 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.405 0.751 -3.700 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.021 2.791 -1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.397 2.355 -2.034 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.566 3.099 -3.422 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.924 1.356 -3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.164 0.888 -0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.643 -0.168 -1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.433 0.561 -0.734 1.00 0.00 H new ATOM 1275 N GLY A 78 -0.537 1.240 -4.743 1.00 0.00 N ATOM 1276 CA GLY A 78 0.277 0.427 -5.628 1.00 0.00 C ATOM 1277 C GLY A 78 1.389 -0.295 -4.893 1.00 0.00 C ATOM 1278 O GLY A 78 1.683 -1.455 -5.184 1.00 0.00 O ATOM 0 H GLY A 78 -0.774 2.163 -5.106 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.357 -0.304 -6.130 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.709 1.060 -6.403 1.00 0.00 H new ATOM 1282 N ASP A 79 2.009 0.391 -3.940 1.00 0.00 N ATOM 1283 CA ASP A 79 3.096 -0.192 -3.161 1.00 0.00 C ATOM 1284 C ASP A 79 2.578 -1.303 -2.253 1.00 0.00 C ATOM 1285 O ASP A 79 3.162 -2.385 -2.183 1.00 0.00 O ATOM 1286 CB ASP A 79 3.789 0.886 -2.326 1.00 0.00 C ATOM 1287 CG ASP A 79 4.454 1.944 -3.183 1.00 0.00 C ATOM 1288 OD1 ASP A 79 3.780 2.936 -3.530 1.00 0.00 O ATOM 1289 OD2 ASP A 79 5.649 1.780 -3.508 1.00 0.00 O ATOM 0 H ASP A 79 1.778 1.352 -3.688 1.00 0.00 H new ATOM 0 HA ASP A 79 3.818 -0.622 -3.855 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.058 1.360 -1.671 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.537 0.420 -1.684 1.00 0.00 H new ATOM 1294 N LEU A 80 1.480 -1.028 -1.558 1.00 0.00 N ATOM 1295 CA LEU A 80 0.883 -2.004 -0.653 1.00 0.00 C ATOM 1296 C LEU A 80 0.422 -3.243 -1.414 1.00 0.00 C ATOM 1297 O LEU A 80 0.585 -4.368 -0.943 1.00 0.00 O ATOM 1298 CB LEU A 80 -0.298 -1.381 0.093 1.00 0.00 C ATOM 1299 CG LEU A 80 -1.108 -2.329 0.979 1.00 0.00 C ATOM 1300 CD1 LEU A 80 -0.384 -2.581 2.292 1.00 0.00 C ATOM 1301 CD2 LEU A 80 -2.497 -1.763 1.234 1.00 0.00 C ATOM 0 H LEU A 80 0.985 -0.137 -1.604 1.00 0.00 H new ATOM 0 HA LEU A 80 1.643 -2.306 0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.078 -0.568 0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.971 -0.937 -0.640 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.215 -3.281 0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.975 -3.257 2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.589 -3.030 2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.246 -1.637 2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.060 -2.450 1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.411 -0.798 1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.017 -1.634 0.285 1.00 0.00 H new ATOM 1313 N GLU A 81 -0.152 -3.027 -2.593 1.00 0.00 N ATOM 1314 CA GLU A 81 -0.635 -4.127 -3.420 1.00 0.00 C ATOM 1315 C GLU A 81 0.510 -5.059 -3.807 1.00 0.00 C ATOM 1316 O GLU A 81 0.504 -6.242 -3.465 1.00 0.00 O ATOM 1317 CB GLU A 81 -1.315 -3.587 -4.680 1.00 0.00 C ATOM 1318 CG GLU A 81 -2.175 -4.615 -5.395 1.00 0.00 C ATOM 1319 CD GLU A 81 -3.254 -3.980 -6.251 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -2.906 -3.177 -7.142 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -4.444 -4.285 -6.030 1.00 0.00 O ATOM 0 H GLU A 81 -0.294 -2.101 -2.997 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.362 -4.694 -2.838 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.935 -2.732 -4.410 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.551 -3.223 -5.367 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.540 -5.241 -6.022 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.640 -5.270 -4.658 1.00 0.00 H new ATOM 1328 N LYS A 82 1.490 -4.519 -4.522 1.00 0.00 N ATOM 1329 CA LYS A 82 2.642 -5.300 -4.956 1.00 0.00 C ATOM 1330 C LYS A 82 3.310 -5.988 -3.770 1.00 0.00 C ATOM 1331 O LYS A 82 3.903 -7.058 -3.914 1.00 0.00 O ATOM 1332 CB LYS A 82 3.652 -4.402 -5.674 1.00 0.00 C ATOM 1333 CG LYS A 82 4.445 -3.508 -4.736 1.00 0.00 C ATOM 1334 CD LYS A 82 5.529 -2.744 -5.478 1.00 0.00 C ATOM 1335 CE LYS A 82 6.814 -3.552 -5.574 1.00 0.00 C ATOM 1336 NZ LYS A 82 7.708 -3.314 -4.407 1.00 0.00 N ATOM 0 H LYS A 82 1.510 -3.542 -4.814 1.00 0.00 H new ATOM 0 HA LYS A 82 2.291 -6.066 -5.647 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.344 -5.027 -6.239 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.123 -3.779 -6.396 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.772 -2.804 -4.247 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.898 -4.113 -3.951 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.179 -2.495 -6.480 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.727 -1.802 -4.966 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.572 -4.613 -5.635 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.339 -3.291 -6.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.573 -3.883 -4.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.960 -2.306 -4.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.217 -3.587 -3.532 1.00 0.00 H new ATOM 1350 N ASP A 83 3.209 -5.369 -2.599 1.00 0.00 N ATOM 1351 CA ASP A 83 3.802 -5.924 -1.388 1.00 0.00 C ATOM 1352 C ASP A 83 2.949 -7.063 -0.838 1.00 0.00 C ATOM 1353 O ASP A 83 3.472 -8.063 -0.347 1.00 0.00 O ATOM 1354 CB ASP A 83 3.963 -4.833 -0.328 1.00 0.00 C ATOM 1355 CG ASP A 83 5.007 -5.188 0.714 1.00 0.00 C ATOM 1356 OD1 ASP A 83 5.173 -6.392 1.001 1.00 0.00 O ATOM 1357 OD2 ASP A 83 5.657 -4.261 1.241 1.00 0.00 O ATOM 0 H ASP A 83 2.722 -4.483 -2.463 1.00 0.00 H new ATOM 0 HA ASP A 83 4.785 -6.321 -1.643 1.00 0.00 H new ATOM 0 HB2 ASP A 83 4.241 -3.897 -0.813 1.00 0.00 H new ATOM 0 HB3 ASP A 83 3.005 -4.664 0.164 1.00 0.00 H new ATOM 1362 N VAL A 84 1.632 -6.903 -0.922 1.00 0.00 N ATOM 1363 CA VAL A 84 0.706 -7.917 -0.433 1.00 0.00 C ATOM 1364 C VAL A 84 0.765 -9.175 -1.292 1.00 0.00 C ATOM 1365 O VAL A 84 0.974 -10.277 -0.784 1.00 0.00 O ATOM 1366 CB VAL A 84 -0.742 -7.392 -0.410 1.00 0.00 C ATOM 1367 CG1 VAL A 84 -1.702 -8.491 0.017 1.00 0.00 C ATOM 1368 CG2 VAL A 84 -0.856 -6.185 0.509 1.00 0.00 C ATOM 0 H VAL A 84 1.183 -6.080 -1.324 1.00 0.00 H new ATOM 0 HA VAL A 84 1.012 -8.160 0.584 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.013 -7.079 -1.418 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.720 -8.101 0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.639 -9.322 -0.685 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.436 -8.838 1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.886 -5.827 0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.566 -6.469 1.521 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.198 -5.393 0.152 1.00 0.00 H new ATOM 1378 N MET A 85 0.580 -9.003 -2.596 1.00 0.00 N ATOM 1379 CA MET A 85 0.614 -10.126 -3.527 1.00 0.00 C ATOM 1380 C MET A 85 1.949 -10.859 -3.446 1.00 0.00 C ATOM 1381 O MET A 85 2.025 -12.062 -3.702 1.00 0.00 O ATOM 1382 CB MET A 85 0.373 -9.637 -4.957 1.00 0.00 C ATOM 1383 CG MET A 85 -0.993 -9.002 -5.160 1.00 0.00 C ATOM 1384 SD MET A 85 -2.347 -10.147 -4.836 1.00 0.00 S ATOM 1385 CE MET A 85 -2.667 -9.813 -3.106 1.00 0.00 C ATOM 0 H MET A 85 0.405 -8.098 -3.033 1.00 0.00 H new ATOM 0 HA MET A 85 -0.179 -10.821 -3.249 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.144 -8.912 -5.219 1.00 0.00 H new ATOM 0 HB3 MET A 85 0.479 -10.478 -5.643 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.089 -8.137 -4.503 1.00 0.00 H new ATOM 0 HG3 MET A 85 -1.070 -8.635 -6.183 1.00 0.00 H new ATOM 0 HE1 MET A 85 -2.336 -10.660 -2.505 1.00 0.00 H new ATOM 0 HE2 MET A 85 -2.125 -8.918 -2.802 1.00 0.00 H new ATOM 0 HE3 MET A 85 -3.736 -9.658 -2.957 1.00 0.00 H new ATOM 1395 N LEU A 86 2.999 -10.128 -3.089 1.00 0.00 N ATOM 1396 CA LEU A 86 4.332 -10.710 -2.975 1.00 0.00 C ATOM 1397 C LEU A 86 4.441 -11.582 -1.728 1.00 0.00 C ATOM 1398 O LEU A 86 5.090 -12.628 -1.744 1.00 0.00 O ATOM 1399 CB LEU A 86 5.390 -9.605 -2.932 1.00 0.00 C ATOM 1400 CG LEU A 86 6.817 -10.054 -2.614 1.00 0.00 C ATOM 1401 CD1 LEU A 86 7.438 -10.748 -3.817 1.00 0.00 C ATOM 1402 CD2 LEU A 86 7.666 -8.867 -2.183 1.00 0.00 C ATOM 0 H LEU A 86 2.954 -9.132 -2.874 1.00 0.00 H new ATOM 0 HA LEU A 86 4.504 -11.337 -3.850 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.397 -9.098 -3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.088 -8.869 -2.187 1.00 0.00 H new ATOM 0 HG LEU A 86 6.779 -10.766 -1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.453 -11.061 -3.573 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.842 -11.622 -4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.464 -10.059 -4.661 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.678 -9.205 -1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.698 -8.131 -2.987 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.231 -8.413 -1.292 1.00 0.00 H new ATOM 1414 N LEU A 87 3.799 -11.146 -0.650 1.00 0.00 N ATOM 1415 CA LEU A 87 3.821 -11.888 0.606 1.00 0.00 C ATOM 1416 C LEU A 87 3.204 -13.272 0.431 1.00 0.00 C ATOM 1417 O LEU A 87 3.499 -14.194 1.192 1.00 0.00 O ATOM 1418 CB LEU A 87 3.069 -11.115 1.691 1.00 0.00 C ATOM 1419 CG LEU A 87 2.664 -11.917 2.928 1.00 0.00 C ATOM 1420 CD1 LEU A 87 2.635 -11.023 4.158 1.00 0.00 C ATOM 1421 CD2 LEU A 87 1.310 -12.579 2.716 1.00 0.00 C ATOM 0 H LEU A 87 3.257 -10.283 -0.620 1.00 0.00 H new ATOM 0 HA LEU A 87 4.861 -12.010 0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.692 -10.280 2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.169 -10.689 1.248 1.00 0.00 H new ATOM 0 HG LEU A 87 3.407 -12.698 3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.345 -11.611 5.029 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.625 -10.597 4.322 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.915 -10.219 4.007 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.038 -13.145 3.607 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.556 -11.814 2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.364 -13.252 1.861 1.00 0.00 H new ATOM 1433 N CYS A 88 2.348 -13.410 -0.575 1.00 0.00 N ATOM 1434 CA CYS A 88 1.690 -14.682 -0.851 1.00 0.00 C ATOM 1435 C CYS A 88 2.591 -15.591 -1.682 1.00 0.00 C ATOM 1436 O CYS A 88 2.816 -16.749 -1.330 1.00 0.00 O ATOM 1437 CB CYS A 88 0.368 -14.448 -1.582 1.00 0.00 C ATOM 1438 SG CYS A 88 -0.768 -13.338 -0.717 1.00 0.00 S ATOM 0 H CYS A 88 2.093 -12.656 -1.213 1.00 0.00 H new ATOM 0 HA CYS A 88 1.488 -15.173 0.101 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.579 -14.037 -2.569 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -0.125 -15.408 -1.735 1.00 0.00 H new ATOM 0 HG CYS A 88 -0.261 -12.142 -0.678 1.00 0.00 H new ATOM 1444 N HIS A 89 3.102 -15.058 -2.787 1.00 0.00 N ATOM 1445 CA HIS A 89 3.978 -15.822 -3.669 1.00 0.00 C ATOM 1446 C HIS A 89 5.143 -16.424 -2.890 1.00 0.00 C ATOM 1447 O HIS A 89 5.380 -17.630 -2.942 1.00 0.00 O ATOM 1448 CB HIS A 89 4.507 -14.931 -4.793 1.00 0.00 C ATOM 1449 CG HIS A 89 5.481 -15.622 -5.697 1.00 0.00 C ATOM 1450 ND1 HIS A 89 6.674 -16.204 -5.433 1.00 0.00 N flip ATOM 1451 CD2 HIS A 89 5.275 -15.771 -7.052 1.00 0.00 C flip ATOM 1452 CE1 HIS A 89 7.161 -16.691 -6.621 1.00 0.00 C flip ATOM 1453 NE2 HIS A 89 6.298 -16.417 -7.583 1.00 0.00 N flip ATOM 0 H HIS A 89 2.925 -14.101 -3.093 1.00 0.00 H new ATOM 0 HA HIS A 89 3.396 -16.635 -4.103 1.00 0.00 H new ATOM 0 HB2 HIS A 89 3.666 -14.571 -5.386 1.00 0.00 H new ATOM 0 HB3 HIS A 89 4.987 -14.056 -4.356 1.00 0.00 H new ATOM 0 HD2 HIS A 89 4.412 -15.415 -7.595 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.098 -17.213 -6.748 1.00 0.00 H new ATOM 0 HE2 HIS A 89 6.403 -16.662 -8.567 1.00 0.00 H new ATOM 1462 N ASN A 90 5.868 -15.574 -2.169 1.00 0.00 N ATOM 1463 CA ASN A 90 7.010 -16.023 -1.380 1.00 0.00 C ATOM 1464 C ASN A 90 6.745 -17.397 -0.772 1.00 0.00 C ATOM 1465 O ASN A 90 7.645 -18.232 -0.684 1.00 0.00 O ATOM 1466 CB ASN A 90 7.319 -15.013 -0.273 1.00 0.00 C ATOM 1467 CG ASN A 90 7.765 -13.672 -0.822 1.00 0.00 C ATOM 1468 OD1 ASN A 90 8.355 -13.595 -1.900 1.00 0.00 O ATOM 1469 ND2 ASN A 90 7.486 -12.607 -0.080 1.00 0.00 N ATOM 0 H ASN A 90 5.685 -14.572 -2.115 1.00 0.00 H new ATOM 0 HA ASN A 90 7.871 -16.100 -2.043 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.432 -14.873 0.345 1.00 0.00 H new ATOM 0 HB3 ASN A 90 8.098 -15.415 0.374 1.00 0.00 H new ATOM 0 HD21 ASN A 90 7.763 -11.678 -0.397 1.00 0.00 H new ATOM 0 HD22 ASN A 90 6.995 -12.718 0.807 1.00 0.00 H new ATOM 1476 N ALA A 91 5.504 -17.623 -0.354 1.00 0.00 N ATOM 1477 CA ALA A 91 5.120 -18.896 0.244 1.00 0.00 C ATOM 1478 C ALA A 91 4.999 -19.986 -0.816 1.00 0.00 C ATOM 1479 O ALA A 91 5.613 -21.046 -0.701 1.00 0.00 O ATOM 1480 CB ALA A 91 3.810 -18.748 1.004 1.00 0.00 C ATOM 0 H ALA A 91 4.748 -16.942 -0.418 1.00 0.00 H new ATOM 0 HA ALA A 91 5.902 -19.191 0.944 1.00 0.00 H new ATOM 0 HB1 ALA A 91 3.535 -19.706 1.445 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.929 -18.006 1.793 1.00 0.00 H new ATOM 0 HB3 ALA A 91 3.026 -18.426 0.319 1.00 0.00 H new ATOM 1486 N GLN A 92 4.202 -19.717 -1.846 1.00 0.00 N ATOM 1487 CA GLN A 92 4.001 -20.677 -2.925 1.00 0.00 C ATOM 1488 C GLN A 92 5.336 -21.180 -3.463 1.00 0.00 C ATOM 1489 O GLN A 92 5.400 -22.216 -4.127 1.00 0.00 O ATOM 1490 CB GLN A 92 3.189 -20.041 -4.056 1.00 0.00 C ATOM 1491 CG GLN A 92 1.818 -19.551 -3.619 1.00 0.00 C ATOM 1492 CD GLN A 92 0.965 -19.088 -4.784 1.00 0.00 C ATOM 1493 OE1 GLN A 92 1.237 -19.422 -5.938 1.00 0.00 O ATOM 1494 NE2 GLN A 92 -0.073 -18.316 -4.488 1.00 0.00 N ATOM 0 H GLN A 92 3.686 -18.844 -1.956 1.00 0.00 H new ATOM 0 HA GLN A 92 3.449 -21.527 -2.523 1.00 0.00 H new ATOM 0 HB2 GLN A 92 3.751 -19.203 -4.469 1.00 0.00 H new ATOM 0 HB3 GLN A 92 3.067 -20.769 -4.858 1.00 0.00 H new ATOM 0 HG2 GLN A 92 1.301 -20.352 -3.091 1.00 0.00 H new ATOM 0 HG3 GLN A 92 1.938 -18.730 -2.913 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.261 -18.064 -3.518 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.683 -17.975 -5.231 1.00 0.00 H new ATOM 1503 N THR A 93 6.402 -20.441 -3.172 1.00 0.00 N ATOM 1504 CA THR A 93 7.736 -20.812 -3.627 1.00 0.00 C ATOM 1505 C THR A 93 8.435 -21.707 -2.611 1.00 0.00 C ATOM 1506 O THR A 93 8.906 -22.794 -2.946 1.00 0.00 O ATOM 1507 CB THR A 93 8.608 -19.568 -3.884 1.00 0.00 C ATOM 1508 OG1 THR A 93 7.991 -18.732 -4.869 1.00 0.00 O ATOM 1509 CG2 THR A 93 9.999 -19.969 -4.351 1.00 0.00 C ATOM 0 H THR A 93 6.367 -19.582 -2.623 1.00 0.00 H new ATOM 0 HA THR A 93 7.610 -21.358 -4.562 1.00 0.00 H new ATOM 0 HB THR A 93 8.701 -19.017 -2.948 1.00 0.00 H new ATOM 0 HG1 THR A 93 7.636 -17.927 -4.438 1.00 0.00 H new ATOM 0 HG21 THR A 93 10.596 -19.074 -4.526 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.477 -20.581 -3.586 1.00 0.00 H new ATOM 0 HG23 THR A 93 9.922 -20.540 -5.276 1.00 0.00 H new ATOM 1517 N PHE A 94 8.498 -21.245 -1.367 1.00 0.00 N ATOM 1518 CA PHE A 94 9.141 -22.005 -0.300 1.00 0.00 C ATOM 1519 C PHE A 94 8.181 -23.035 0.287 1.00 0.00 C ATOM 1520 O PHE A 94 8.447 -24.236 0.256 1.00 0.00 O ATOM 1521 CB PHE A 94 9.632 -21.063 0.801 1.00 0.00 C ATOM 1522 CG PHE A 94 10.845 -21.571 1.527 1.00 0.00 C ATOM 1523 CD1 PHE A 94 11.943 -22.041 0.824 1.00 0.00 C ATOM 1524 CD2 PHE A 94 10.887 -21.580 2.912 1.00 0.00 C ATOM 1525 CE1 PHE A 94 13.061 -22.509 1.489 1.00 0.00 C ATOM 1526 CE2 PHE A 94 12.002 -22.047 3.582 1.00 0.00 C ATOM 1527 CZ PHE A 94 13.090 -22.513 2.870 1.00 0.00 C ATOM 0 H PHE A 94 8.112 -20.348 -1.072 1.00 0.00 H new ATOM 0 HA PHE A 94 9.995 -22.531 -0.726 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.861 -20.092 0.362 1.00 0.00 H new ATOM 0 HB3 PHE A 94 8.827 -20.906 1.519 1.00 0.00 H new ATOM 0 HD1 PHE A 94 11.925 -22.042 -0.256 1.00 0.00 H new ATOM 0 HD2 PHE A 94 10.039 -21.218 3.474 1.00 0.00 H new ATOM 0 HE1 PHE A 94 13.911 -22.871 0.929 1.00 0.00 H new ATOM 0 HE2 PHE A 94 12.023 -22.048 4.662 1.00 0.00 H new ATOM 0 HZ PHE A 94 13.962 -22.880 3.392 1.00 0.00 H new ATOM 1537 N ASN A 95 7.063 -22.556 0.823 1.00 0.00 N ATOM 1538 CA ASN A 95 6.063 -23.434 1.419 1.00 0.00 C ATOM 1539 C ASN A 95 5.661 -24.539 0.447 1.00 0.00 C ATOM 1540 O ASN A 95 5.889 -24.434 -0.759 1.00 0.00 O ATOM 1541 CB ASN A 95 4.829 -22.630 1.833 1.00 0.00 C ATOM 1542 CG ASN A 95 4.966 -22.035 3.221 1.00 0.00 C ATOM 1543 OD1 ASN A 95 4.762 -22.718 4.224 1.00 0.00 O ATOM 1544 ND2 ASN A 95 5.312 -20.754 3.283 1.00 0.00 N ATOM 0 H ASN A 95 6.827 -21.564 0.857 1.00 0.00 H new ATOM 0 HA ASN A 95 6.502 -23.895 2.304 1.00 0.00 H new ATOM 0 HB2 ASN A 95 4.662 -21.830 1.112 1.00 0.00 H new ATOM 0 HB3 ASN A 95 3.951 -23.275 1.802 1.00 0.00 H new ATOM 0 HD21 ASN A 95 5.419 -20.298 4.189 1.00 0.00 H new ATOM 0 HD22 ASN A 95 5.471 -20.227 2.425 1.00 0.00 H new ATOM 1551 N LEU A 96 5.061 -25.599 0.979 1.00 0.00 N ATOM 1552 CA LEU A 96 4.626 -26.724 0.159 1.00 0.00 C ATOM 1553 C LEU A 96 3.641 -26.268 -0.913 1.00 0.00 C ATOM 1554 O LEU A 96 2.989 -25.235 -0.770 1.00 0.00 O ATOM 1555 CB LEU A 96 3.982 -27.800 1.035 1.00 0.00 C ATOM 1556 CG LEU A 96 4.875 -28.408 2.117 1.00 0.00 C ATOM 1557 CD1 LEU A 96 4.037 -29.150 3.146 1.00 0.00 C ATOM 1558 CD2 LEU A 96 5.907 -29.339 1.496 1.00 0.00 C ATOM 0 H LEU A 96 4.865 -25.702 1.975 1.00 0.00 H new ATOM 0 HA LEU A 96 5.503 -27.143 -0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.103 -27.370 1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.630 -28.604 0.388 1.00 0.00 H new ATOM 0 HG LEU A 96 5.402 -27.599 2.623 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.690 -29.576 3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.337 -28.457 3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.482 -29.950 2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.534 -29.763 2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.398 -30.143 0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.529 -28.779 0.798 1.00 0.00 H new ATOM 1570 N GLU A 97 3.538 -27.048 -1.985 1.00 0.00 N ATOM 1571 CA GLU A 97 2.632 -26.724 -3.080 1.00 0.00 C ATOM 1572 C GLU A 97 1.296 -27.441 -2.910 1.00 0.00 C ATOM 1573 O GLU A 97 1.206 -28.455 -2.218 1.00 0.00 O ATOM 1574 CB GLU A 97 3.261 -27.104 -4.422 1.00 0.00 C ATOM 1575 CG GLU A 97 4.072 -25.985 -5.053 1.00 0.00 C ATOM 1576 CD GLU A 97 4.698 -26.391 -6.373 1.00 0.00 C ATOM 1577 OE1 GLU A 97 4.036 -26.228 -7.419 1.00 0.00 O ATOM 1578 OE2 GLU A 97 5.851 -26.871 -6.359 1.00 0.00 O ATOM 0 H GLU A 97 4.070 -27.908 -2.118 1.00 0.00 H new ATOM 0 HA GLU A 97 2.453 -25.649 -3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 97 3.905 -27.972 -4.279 1.00 0.00 H new ATOM 0 HB3 GLU A 97 2.472 -27.403 -5.112 1.00 0.00 H new ATOM 0 HG2 GLU A 97 3.428 -25.120 -5.211 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.857 -25.676 -4.363 1.00 0.00 H new ATOM 1585 N GLY A 98 0.258 -26.907 -3.548 1.00 0.00 N ATOM 1586 CA GLY A 98 -1.059 -27.508 -3.455 1.00 0.00 C ATOM 1587 C GLY A 98 -1.332 -28.098 -2.086 1.00 0.00 C ATOM 1588 O GLY A 98 -2.082 -29.066 -1.958 1.00 0.00 O ATOM 0 H GLY A 98 0.307 -26.069 -4.127 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.815 -26.756 -3.680 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.152 -28.289 -4.209 1.00 0.00 H new ATOM 1592 N SER A 99 -0.720 -27.516 -1.059 1.00 0.00 N ATOM 1593 CA SER A 99 -0.897 -27.994 0.307 1.00 0.00 C ATOM 1594 C SER A 99 -1.705 -26.997 1.131 1.00 0.00 C ATOM 1595 O SER A 99 -2.099 -25.942 0.636 1.00 0.00 O ATOM 1596 CB SER A 99 0.463 -28.233 0.966 1.00 0.00 C ATOM 1597 OG SER A 99 0.887 -29.574 0.788 1.00 0.00 O ATOM 0 H SER A 99 -0.097 -26.713 -1.147 1.00 0.00 H new ATOM 0 HA SER A 99 -1.445 -28.935 0.268 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.202 -27.555 0.539 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.400 -28.006 2.030 1.00 0.00 H new ATOM 0 HG SER A 99 1.759 -29.701 1.217 1.00 0.00 H new ATOM 1603 N GLN A 100 -1.949 -27.341 2.392 1.00 0.00 N ATOM 1604 CA GLN A 100 -2.711 -26.477 3.285 1.00 0.00 C ATOM 1605 C GLN A 100 -2.252 -25.027 3.163 1.00 0.00 C ATOM 1606 O GLN A 100 -2.993 -24.170 2.682 1.00 0.00 O ATOM 1607 CB GLN A 100 -2.567 -26.950 4.733 1.00 0.00 C ATOM 1608 CG GLN A 100 -3.376 -28.198 5.048 1.00 0.00 C ATOM 1609 CD GLN A 100 -4.825 -27.888 5.369 1.00 0.00 C ATOM 1610 OE1 GLN A 100 -5.160 -27.530 6.498 1.00 0.00 O ATOM 1611 NE2 GLN A 100 -5.693 -28.025 4.374 1.00 0.00 N ATOM 0 H GLN A 100 -1.630 -28.211 2.817 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.760 -26.532 2.995 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -1.515 -27.147 4.939 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -2.878 -26.147 5.401 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -3.334 -28.878 4.197 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -2.923 -28.716 5.893 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -5.371 -28.324 3.454 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -6.682 -27.831 4.530 1.00 0.00 H new ATOM 1620 N ILE A 101 -1.027 -24.761 3.603 1.00 0.00 N ATOM 1621 CA ILE A 101 -0.470 -23.415 3.542 1.00 0.00 C ATOM 1622 C ILE A 101 -0.640 -22.812 2.152 1.00 0.00 C ATOM 1623 O ILE A 101 -1.180 -21.715 2.002 1.00 0.00 O ATOM 1624 CB ILE A 101 1.025 -23.408 3.913 1.00 0.00 C ATOM 1625 CG1 ILE A 101 1.208 -23.757 5.391 1.00 0.00 C ATOM 1626 CG2 ILE A 101 1.641 -22.051 3.603 1.00 0.00 C ATOM 1627 CD1 ILE A 101 2.654 -23.763 5.836 1.00 0.00 C ATOM 0 H ILE A 101 -0.401 -25.459 4.005 1.00 0.00 H new ATOM 0 HA ILE A 101 -1.019 -22.813 4.266 1.00 0.00 H new ATOM 0 HB ILE A 101 1.536 -24.163 3.315 1.00 0.00 H new ATOM 0 HG12 ILE A 101 0.653 -23.041 5.997 1.00 0.00 H new ATOM 0 HG13 ILE A 101 0.774 -24.739 5.581 1.00 0.00 H new ATOM 0 HG21 ILE A 101 2.698 -22.061 3.870 1.00 0.00 H new ATOM 0 HG22 ILE A 101 1.538 -21.839 2.539 1.00 0.00 H new ATOM 0 HG23 ILE A 101 1.129 -21.279 4.178 1.00 0.00 H new ATOM 0 HD11 ILE A 101 2.708 -24.018 6.894 1.00 0.00 H new ATOM 0 HD12 ILE A 101 3.210 -24.500 5.256 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.087 -22.775 5.679 1.00 0.00 H new ATOM 1639 N TYR A 102 -0.179 -23.536 1.138 1.00 0.00 N ATOM 1640 CA TYR A 102 -0.280 -23.072 -0.240 1.00 0.00 C ATOM 1641 C TYR A 102 -1.671 -22.515 -0.527 1.00 0.00 C ATOM 1642 O TYR A 102 -1.822 -21.344 -0.874 1.00 0.00 O ATOM 1643 CB TYR A 102 0.033 -24.214 -1.209 1.00 0.00 C ATOM 1644 CG TYR A 102 0.460 -23.744 -2.581 1.00 0.00 C ATOM 1645 CD1 TYR A 102 1.787 -23.427 -2.847 1.00 0.00 C ATOM 1646 CD2 TYR A 102 -0.463 -23.619 -3.612 1.00 0.00 C ATOM 1647 CE1 TYR A 102 2.181 -22.996 -4.099 1.00 0.00 C ATOM 1648 CE2 TYR A 102 -0.077 -23.190 -4.868 1.00 0.00 C ATOM 1649 CZ TYR A 102 1.245 -22.880 -5.106 1.00 0.00 C ATOM 1650 OH TYR A 102 1.634 -22.453 -6.355 1.00 0.00 O ATOM 0 H TYR A 102 0.268 -24.446 1.245 1.00 0.00 H new ATOM 0 HA TYR A 102 0.448 -22.273 -0.382 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.823 -24.833 -0.784 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.849 -24.846 -1.309 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.523 -23.519 -2.062 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.499 -23.861 -3.429 1.00 0.00 H new ATOM 0 HE1 TYR A 102 3.216 -22.751 -4.288 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.807 -23.098 -5.659 1.00 0.00 H new ATOM 0 HH TYR A 102 1.567 -21.476 -6.402 1.00 0.00 H new ATOM 1660 N GLU A 103 -2.684 -23.363 -0.379 1.00 0.00 N ATOM 1661 CA GLU A 103 -4.062 -22.955 -0.622 1.00 0.00 C ATOM 1662 C GLU A 103 -4.375 -21.641 0.089 1.00 0.00 C ATOM 1663 O GLU A 103 -4.992 -20.744 -0.485 1.00 0.00 O ATOM 1664 CB GLU A 103 -5.030 -24.044 -0.153 1.00 0.00 C ATOM 1665 CG GLU A 103 -5.134 -25.219 -1.110 1.00 0.00 C ATOM 1666 CD GLU A 103 -6.148 -24.986 -2.213 1.00 0.00 C ATOM 1667 OE1 GLU A 103 -6.210 -23.851 -2.731 1.00 0.00 O ATOM 1668 OE2 GLU A 103 -6.880 -25.937 -2.557 1.00 0.00 O ATOM 0 H GLU A 103 -2.576 -24.336 -0.092 1.00 0.00 H new ATOM 0 HA GLU A 103 -4.185 -22.806 -1.695 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -4.709 -24.408 0.823 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.019 -23.606 -0.020 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.157 -25.408 -1.554 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -5.409 -26.114 -0.552 1.00 0.00 H new ATOM 1675 N ASP A 104 -3.945 -21.536 1.341 1.00 0.00 N ATOM 1676 CA ASP A 104 -4.177 -20.333 2.132 1.00 0.00 C ATOM 1677 C ASP A 104 -3.584 -19.108 1.443 1.00 0.00 C ATOM 1678 O ASP A 104 -4.265 -18.101 1.251 1.00 0.00 O ATOM 1679 CB ASP A 104 -3.575 -20.490 3.528 1.00 0.00 C ATOM 1680 CG ASP A 104 -3.692 -19.225 4.355 1.00 0.00 C ATOM 1681 OD1 ASP A 104 -3.989 -18.160 3.773 1.00 0.00 O ATOM 1682 OD2 ASP A 104 -3.487 -19.298 5.584 1.00 0.00 O ATOM 0 H ASP A 104 -3.433 -22.270 1.831 1.00 0.00 H new ATOM 0 HA ASP A 104 -5.254 -20.191 2.224 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -4.076 -21.307 4.047 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -2.524 -20.766 3.438 1.00 0.00 H new ATOM 1687 N SER A 105 -2.310 -19.201 1.075 1.00 0.00 N ATOM 1688 CA SER A 105 -1.624 -18.098 0.412 1.00 0.00 C ATOM 1689 C SER A 105 -2.457 -17.557 -0.746 1.00 0.00 C ATOM 1690 O SER A 105 -2.549 -16.346 -0.945 1.00 0.00 O ATOM 1691 CB SER A 105 -0.256 -18.555 -0.099 1.00 0.00 C ATOM 1692 OG SER A 105 -0.373 -19.228 -1.340 1.00 0.00 O ATOM 0 H SER A 105 -1.732 -20.028 1.225 1.00 0.00 H new ATOM 0 HA SER A 105 -1.484 -17.299 1.140 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.401 -17.692 -0.210 1.00 0.00 H new ATOM 0 HB3 SER A 105 0.207 -19.216 0.634 1.00 0.00 H new ATOM 0 HG SER A 105 -0.556 -20.178 -1.181 1.00 0.00 H new ATOM 1698 N ILE A 106 -3.061 -18.464 -1.507 1.00 0.00 N ATOM 1699 CA ILE A 106 -3.887 -18.079 -2.644 1.00 0.00 C ATOM 1700 C ILE A 106 -5.165 -17.386 -2.185 1.00 0.00 C ATOM 1701 O ILE A 106 -5.635 -16.442 -2.821 1.00 0.00 O ATOM 1702 CB ILE A 106 -4.259 -19.298 -3.508 1.00 0.00 C ATOM 1703 CG1 ILE A 106 -3.056 -19.747 -4.340 1.00 0.00 C ATOM 1704 CG2 ILE A 106 -5.440 -18.968 -4.409 1.00 0.00 C ATOM 1705 CD1 ILE A 106 -2.189 -20.773 -3.645 1.00 0.00 C ATOM 0 H ILE A 106 -2.993 -19.471 -1.356 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.296 -17.386 -3.243 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.547 -20.117 -2.849 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.412 -20.163 -5.283 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.448 -18.876 -4.585 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -5.691 -19.840 -5.014 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -6.298 -18.691 -3.797 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -5.178 -18.136 -5.063 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.356 -21.045 -4.293 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.804 -20.354 -2.715 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.782 -21.661 -3.425 1.00 0.00 H new ATOM 1717 N VAL A 107 -5.723 -17.860 -1.076 1.00 0.00 N ATOM 1718 CA VAL A 107 -6.946 -17.284 -0.529 1.00 0.00 C ATOM 1719 C VAL A 107 -6.757 -15.809 -0.194 1.00 0.00 C ATOM 1720 O VAL A 107 -7.530 -14.957 -0.634 1.00 0.00 O ATOM 1721 CB VAL A 107 -7.402 -18.033 0.738 1.00 0.00 C ATOM 1722 CG1 VAL A 107 -8.549 -17.295 1.411 1.00 0.00 C ATOM 1723 CG2 VAL A 107 -7.802 -19.461 0.397 1.00 0.00 C ATOM 0 H VAL A 107 -5.348 -18.641 -0.538 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.713 -17.384 -1.297 1.00 0.00 H new ATOM 0 HB VAL A 107 -6.567 -18.071 1.437 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -8.858 -17.839 2.304 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -8.223 -16.293 1.691 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -9.390 -17.223 0.721 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -8.121 -19.976 1.303 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -8.622 -19.448 -0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -6.949 -19.984 -0.036 1.00 0.00 H new ATOM 1733 N LEU A 108 -5.725 -15.514 0.589 1.00 0.00 N ATOM 1734 CA LEU A 108 -5.433 -14.140 0.984 1.00 0.00 C ATOM 1735 C LEU A 108 -5.786 -13.165 -0.135 1.00 0.00 C ATOM 1736 O LEU A 108 -6.563 -12.232 0.066 1.00 0.00 O ATOM 1737 CB LEU A 108 -3.955 -13.998 1.352 1.00 0.00 C ATOM 1738 CG LEU A 108 -3.470 -14.850 2.526 1.00 0.00 C ATOM 1739 CD1 LEU A 108 -1.955 -14.793 2.637 1.00 0.00 C ATOM 1740 CD2 LEU A 108 -4.120 -14.389 3.823 1.00 0.00 C ATOM 0 H LEU A 108 -5.077 -16.207 0.963 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.043 -13.901 1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.357 -14.249 0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -3.758 -12.951 1.583 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.761 -15.885 2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -1.628 -15.405 3.478 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -1.508 -15.171 1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.640 -13.761 2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.764 -15.006 4.648 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -3.860 -13.347 4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -5.203 -14.483 3.741 1.00 0.00 H new ATOM 1752 N GLN A 109 -5.212 -13.390 -1.312 1.00 0.00 N ATOM 1753 CA GLN A 109 -5.468 -12.531 -2.462 1.00 0.00 C ATOM 1754 C GLN A 109 -6.946 -12.166 -2.551 1.00 0.00 C ATOM 1755 O GLN A 109 -7.320 -11.005 -2.386 1.00 0.00 O ATOM 1756 CB GLN A 109 -5.023 -13.224 -3.752 1.00 0.00 C ATOM 1757 CG GLN A 109 -3.537 -13.542 -3.790 1.00 0.00 C ATOM 1758 CD GLN A 109 -3.078 -14.025 -5.151 1.00 0.00 C ATOM 1759 OE1 GLN A 109 -2.234 -13.399 -5.793 1.00 0.00 O ATOM 1760 NE2 GLN A 109 -3.633 -15.145 -5.601 1.00 0.00 N ATOM 0 H GLN A 109 -4.567 -14.159 -1.494 1.00 0.00 H new ATOM 0 HA GLN A 109 -4.893 -11.614 -2.333 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -5.587 -14.149 -3.871 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -5.272 -12.587 -4.601 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -2.972 -12.651 -3.515 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -3.313 -14.304 -3.044 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -4.329 -15.632 -5.036 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -3.363 -15.518 -6.511 1.00 0.00 H new ATOM 1769 N SER A 110 -7.782 -13.166 -2.813 1.00 0.00 N ATOM 1770 CA SER A 110 -9.220 -12.949 -2.928 1.00 0.00 C ATOM 1771 C SER A 110 -9.714 -11.998 -1.843 1.00 0.00 C ATOM 1772 O SER A 110 -10.615 -11.191 -2.072 1.00 0.00 O ATOM 1773 CB SER A 110 -9.967 -14.281 -2.834 1.00 0.00 C ATOM 1774 OG SER A 110 -11.213 -14.216 -3.505 1.00 0.00 O ATOM 0 H SER A 110 -7.489 -14.133 -2.950 1.00 0.00 H new ATOM 0 HA SER A 110 -9.418 -12.497 -3.900 1.00 0.00 H new ATOM 0 HB2 SER A 110 -9.358 -15.074 -3.268 1.00 0.00 H new ATOM 0 HB3 SER A 110 -10.127 -14.538 -1.787 1.00 0.00 H new ATOM 0 HG SER A 110 -11.670 -15.080 -3.432 1.00 0.00 H new ATOM 1780 N VAL A 111 -9.119 -12.100 -0.659 1.00 0.00 N ATOM 1781 CA VAL A 111 -9.497 -11.248 0.463 1.00 0.00 C ATOM 1782 C VAL A 111 -9.012 -9.818 0.254 1.00 0.00 C ATOM 1783 O VAL A 111 -9.771 -8.863 0.424 1.00 0.00 O ATOM 1784 CB VAL A 111 -8.927 -11.783 1.790 1.00 0.00 C ATOM 1785 CG1 VAL A 111 -9.460 -10.976 2.964 1.00 0.00 C ATOM 1786 CG2 VAL A 111 -9.256 -13.260 1.954 1.00 0.00 C ATOM 0 H VAL A 111 -8.373 -12.764 -0.452 1.00 0.00 H new ATOM 0 HA VAL A 111 -10.586 -11.256 0.514 1.00 0.00 H new ATOM 0 HB VAL A 111 -7.842 -11.676 1.769 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -9.046 -11.369 3.893 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -9.169 -9.932 2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -10.547 -11.049 2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -8.846 -13.622 2.897 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -10.338 -13.394 1.954 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -8.820 -13.824 1.129 1.00 0.00 H new ATOM 1796 N PHE A 112 -7.744 -9.676 -0.115 1.00 0.00 N ATOM 1797 CA PHE A 112 -7.157 -8.361 -0.346 1.00 0.00 C ATOM 1798 C PHE A 112 -7.990 -7.562 -1.344 1.00 0.00 C ATOM 1799 O PHE A 112 -8.281 -6.386 -1.127 1.00 0.00 O ATOM 1800 CB PHE A 112 -5.722 -8.503 -0.859 1.00 0.00 C ATOM 1801 CG PHE A 112 -5.131 -7.212 -1.349 1.00 0.00 C ATOM 1802 CD1 PHE A 112 -5.327 -6.796 -2.656 1.00 0.00 C ATOM 1803 CD2 PHE A 112 -4.378 -6.414 -0.502 1.00 0.00 C ATOM 1804 CE1 PHE A 112 -4.785 -5.608 -3.109 1.00 0.00 C ATOM 1805 CE2 PHE A 112 -3.834 -5.225 -0.950 1.00 0.00 C ATOM 1806 CZ PHE A 112 -4.036 -4.823 -2.255 1.00 0.00 C ATOM 0 H PHE A 112 -7.102 -10.455 -0.261 1.00 0.00 H new ATOM 0 HA PHE A 112 -7.145 -7.824 0.602 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -5.096 -8.900 -0.060 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -5.705 -9.232 -1.669 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -5.910 -7.407 -3.329 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -4.215 -6.725 0.519 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -4.947 -5.294 -4.130 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.251 -4.611 -0.279 1.00 0.00 H new ATOM 0 HZ PHE A 112 -3.609 -3.896 -2.608 1.00 0.00 H new ATOM 1816 N LYS A 113 -8.370 -8.210 -2.441 1.00 0.00 N ATOM 1817 CA LYS A 113 -9.169 -7.562 -3.474 1.00 0.00 C ATOM 1818 C LYS A 113 -10.517 -7.114 -2.918 1.00 0.00 C ATOM 1819 O LYS A 113 -10.815 -5.921 -2.871 1.00 0.00 O ATOM 1820 CB LYS A 113 -9.383 -8.514 -4.653 1.00 0.00 C ATOM 1821 CG LYS A 113 -8.306 -8.412 -5.719 1.00 0.00 C ATOM 1822 CD LYS A 113 -7.113 -9.294 -5.393 1.00 0.00 C ATOM 1823 CE LYS A 113 -6.261 -9.558 -6.625 1.00 0.00 C ATOM 1824 NZ LYS A 113 -5.325 -10.698 -6.418 1.00 0.00 N ATOM 0 H LYS A 113 -8.137 -9.184 -2.637 1.00 0.00 H new ATOM 0 HA LYS A 113 -8.627 -6.681 -3.819 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -9.418 -9.538 -4.281 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -10.352 -8.306 -5.106 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -8.720 -8.701 -6.685 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -7.980 -7.376 -5.810 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -6.505 -8.816 -4.625 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -7.461 -10.241 -4.981 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -6.909 -9.770 -7.476 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -5.692 -8.662 -6.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -4.693 -10.782 -7.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -4.759 -10.531 -5.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -5.868 -11.578 -6.308 1.00 0.00 H new ATOM 1838 N SER A 114 -11.328 -8.079 -2.495 1.00 0.00 N ATOM 1839 CA SER A 114 -12.646 -7.784 -1.944 1.00 0.00 C ATOM 1840 C SER A 114 -12.585 -6.584 -1.004 1.00 0.00 C ATOM 1841 O SER A 114 -13.502 -5.765 -0.964 1.00 0.00 O ATOM 1842 CB SER A 114 -13.196 -9.002 -1.200 1.00 0.00 C ATOM 1843 OG SER A 114 -14.449 -8.713 -0.605 1.00 0.00 O ATOM 0 H SER A 114 -11.095 -9.072 -2.523 1.00 0.00 H new ATOM 0 HA SER A 114 -13.313 -7.542 -2.772 1.00 0.00 H new ATOM 0 HB2 SER A 114 -13.303 -9.837 -1.892 1.00 0.00 H new ATOM 0 HB3 SER A 114 -12.488 -9.313 -0.432 1.00 0.00 H new ATOM 0 HG SER A 114 -14.780 -9.508 -0.137 1.00 0.00 H new ATOM 1849 N ALA A 115 -11.496 -6.488 -0.247 1.00 0.00 N ATOM 1850 CA ALA A 115 -11.313 -5.389 0.692 1.00 0.00 C ATOM 1851 C ALA A 115 -11.087 -4.071 -0.042 1.00 0.00 C ATOM 1852 O ALA A 115 -11.828 -3.107 0.152 1.00 0.00 O ATOM 1853 CB ALA A 115 -10.148 -5.681 1.626 1.00 0.00 C ATOM 0 H ALA A 115 -10.728 -7.159 -0.266 1.00 0.00 H new ATOM 0 HA ALA A 115 -12.224 -5.294 1.283 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -10.023 -4.852 2.322 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -10.349 -6.596 2.184 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.236 -5.805 1.042 1.00 0.00 H new ATOM 1859 N ARG A 116 -10.061 -4.037 -0.885 1.00 0.00 N ATOM 1860 CA ARG A 116 -9.737 -2.837 -1.647 1.00 0.00 C ATOM 1861 C ARG A 116 -10.971 -2.301 -2.367 1.00 0.00 C ATOM 1862 O ARG A 116 -11.377 -1.159 -2.155 1.00 0.00 O ATOM 1863 CB ARG A 116 -8.631 -3.134 -2.661 1.00 0.00 C ATOM 1864 CG ARG A 116 -8.197 -1.917 -3.462 1.00 0.00 C ATOM 1865 CD ARG A 116 -6.771 -2.064 -3.970 1.00 0.00 C ATOM 1866 NE ARG A 116 -6.713 -2.780 -5.241 1.00 0.00 N ATOM 1867 CZ ARG A 116 -7.038 -2.234 -6.408 1.00 0.00 C ATOM 1868 NH1 ARG A 116 -7.441 -0.972 -6.463 1.00 0.00 N ATOM 1869 NH2 ARG A 116 -6.960 -2.950 -7.522 1.00 0.00 N ATOM 0 H ARG A 116 -9.439 -4.827 -1.058 1.00 0.00 H new ATOM 0 HA ARG A 116 -9.386 -2.077 -0.949 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -7.767 -3.539 -2.135 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -8.977 -3.906 -3.348 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -8.872 -1.776 -4.306 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -8.273 -1.025 -2.840 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -6.325 -1.076 -4.090 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -6.175 -2.595 -3.228 1.00 0.00 H new ATOM 0 HE ARG A 116 -6.406 -3.753 -5.233 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -7.502 -0.418 -5.608 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -7.690 -0.555 -7.360 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -6.650 -3.921 -7.483 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -7.210 -2.529 -8.417 1.00 0.00 H new