USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 805 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 107 THR OG1 : rot 45:sc= 0.019 USER MOD Set 1.2: A 109 LYS NZ :NH3+ 173:sc= 0 (180deg=0) USER MOD Set 2.1: A 102 LYS NZ :NH3+ 158:sc= -0.195 (180deg=0) USER MOD Set 2.2: A 103 GLN : amide:sc= -1.33 K(o=-1.5,f=0.24) USER MOD Set 3.1: A 40 TYR OH : rot 152:sc= 1.53 USER MOD Set 3.2: A 93 GLN : amide:sc= -1.15 K(o=0.38,f=-3.1!) USER MOD Set 4.1: A 92 TYR OH : rot 165:sc= -0.772 USER MOD Set 4.2: A 100 SER OG : rot -140:sc= 0 USER MOD Set 5.1: A 55 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 64 HIS : no HD1:sc= 0 X(o=0,f=0.18) USER MOD Set 6.1: A 35 HIS : no HD1:sc= -0.859 K(o=-0.7,f=-3.5) USER MOD Set 6.2: A 39 THR OG1 : rot -149:sc= 0.16 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -11:sc= 1.21 USER MOD Single : A 16 TYR OH : rot 150:sc= -0.146 USER MOD Single : A 22 ASN : amide:sc= -4! C(o=-4!,f=-2.9!) USER MOD Single : A 23 MET CE :methyl 164:sc= -3.65! (180deg=-5.02!) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 27 GLN : amide:sc= -1.61 K(o=-1.6,f=-1.1) USER MOD Single : A 28 THR OG1 : rot 75:sc= 0.338 USER MOD Single : A 30 ASN : amide:sc= -0.129 K(o=-0.13,f=-2.1!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -138:sc= 0 (180deg=-1.05) USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=0.55) USER MOD Single : A 63 LYS NZ :NH3+ -139:sc= 0.138 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -4.45! C(o=-4.4!,f=-5.7!) USER MOD Single : A 77 THR OG1 : rot -43:sc= 0.614 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -162:sc=-0.00675 (180deg=-0.158) USER MOD Single : A 84 SER OG : rot -62:sc= 0.149 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HE2:sc= -7.76! C(o=-7.8!,f=-13!) USER MOD Single : A 96 SER OG : rot 170:sc= -0.398 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc=-0.00365 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot -40:sc= 0.125 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N ILE A 11 1.985 -11.253 -8.945 1.00 0.00 N ATOM 117 CA ILE A 11 2.233 -9.965 -9.580 1.00 0.00 C ATOM 118 C ILE A 11 3.452 -9.280 -8.973 1.00 0.00 C ATOM 119 O ILE A 11 3.663 -9.324 -7.761 1.00 0.00 O ATOM 120 CB ILE A 11 1.016 -9.030 -9.453 1.00 0.00 C ATOM 121 CG1 ILE A 11 -0.214 -9.666 -10.105 1.00 0.00 C ATOM 122 CG2 ILE A 11 1.318 -7.679 -10.084 1.00 0.00 C ATOM 123 CD1 ILE A 11 -1.514 -8.993 -9.726 1.00 0.00 C ATOM 0 HA ILE A 11 2.418 -10.164 -10.636 1.00 0.00 H new ATOM 0 HB ILE A 11 0.804 -8.876 -8.395 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.099 -9.632 -11.188 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.262 -10.717 -9.822 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.448 -7.029 -9.986 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.170 -7.224 -9.579 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.553 -7.815 -11.140 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.343 -9.496 -10.224 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.652 -9.050 -8.646 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.486 -7.948 -10.034 1.00 0.00 H new ATOM 135 N ASP A 12 4.251 -8.645 -9.824 1.00 0.00 N ATOM 136 CA ASP A 12 5.449 -7.947 -9.371 1.00 0.00 C ATOM 137 C ASP A 12 5.112 -6.533 -8.908 1.00 0.00 C ATOM 138 O ASP A 12 5.002 -5.613 -9.719 1.00 0.00 O ATOM 139 CB ASP A 12 6.490 -7.895 -10.491 1.00 0.00 C ATOM 140 CG ASP A 12 7.816 -7.328 -10.024 1.00 0.00 C ATOM 141 OD1 ASP A 12 7.804 -6.325 -9.281 1.00 0.00 O ATOM 142 OD2 ASP A 12 8.866 -7.890 -10.401 1.00 0.00 O ATOM 0 H ASP A 12 4.091 -8.599 -10.830 1.00 0.00 H new ATOM 0 HA ASP A 12 5.862 -8.498 -8.526 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.646 -8.899 -10.885 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.107 -7.287 -11.311 1.00 0.00 H new ATOM 147 N TYR A 13 4.948 -6.368 -7.601 1.00 0.00 N ATOM 148 CA TYR A 13 4.619 -5.067 -7.030 1.00 0.00 C ATOM 149 C TYR A 13 5.861 -4.187 -6.927 1.00 0.00 C ATOM 150 O TYR A 13 5.766 -2.961 -6.860 1.00 0.00 O ATOM 151 CB TYR A 13 3.986 -5.238 -5.647 1.00 0.00 C ATOM 152 CG TYR A 13 2.982 -6.365 -5.577 1.00 0.00 C ATOM 153 CD1 TYR A 13 1.718 -6.231 -6.136 1.00 0.00 C ATOM 154 CD2 TYR A 13 3.296 -7.565 -4.950 1.00 0.00 C ATOM 155 CE1 TYR A 13 0.795 -7.258 -6.073 1.00 0.00 C ATOM 156 CE2 TYR A 13 2.381 -8.597 -4.884 1.00 0.00 C ATOM 157 CZ TYR A 13 1.132 -8.439 -5.447 1.00 0.00 C ATOM 158 OH TYR A 13 0.217 -9.465 -5.382 1.00 0.00 O ATOM 0 H TYR A 13 5.037 -7.119 -6.916 1.00 0.00 H new ATOM 0 HA TYR A 13 3.904 -4.579 -7.692 1.00 0.00 H new ATOM 0 HB2 TYR A 13 4.774 -5.418 -4.916 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.495 -4.307 -5.364 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.451 -5.308 -6.629 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.273 -7.692 -4.507 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.184 -7.136 -6.512 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.642 -9.523 -4.394 1.00 0.00 H new ATOM 0 HH TYR A 13 0.613 -10.227 -4.909 1.00 0.00 H new ATOM 168 N THR A 14 7.029 -4.823 -6.917 1.00 0.00 N ATOM 169 CA THR A 14 8.291 -4.100 -6.823 1.00 0.00 C ATOM 170 C THR A 14 8.675 -3.485 -8.164 1.00 0.00 C ATOM 171 O THR A 14 9.735 -2.876 -8.298 1.00 0.00 O ATOM 172 CB THR A 14 9.432 -5.021 -6.349 1.00 0.00 C ATOM 173 OG1 THR A 14 9.627 -6.082 -7.289 1.00 0.00 O ATOM 174 CG2 THR A 14 9.124 -5.603 -4.977 1.00 0.00 C ATOM 0 H THR A 14 7.127 -5.837 -6.973 1.00 0.00 H new ATOM 0 HA THR A 14 8.146 -3.306 -6.091 1.00 0.00 H new ATOM 0 HB THR A 14 10.343 -4.427 -6.278 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.882 -6.096 -7.926 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.944 -6.250 -4.664 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.005 -4.794 -4.257 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.203 -6.183 -5.026 1.00 0.00 H new ATOM 182 N ALA A 15 7.804 -3.648 -9.155 1.00 0.00 N ATOM 183 CA ALA A 15 8.050 -3.107 -10.485 1.00 0.00 C ATOM 184 C ALA A 15 7.502 -1.689 -10.611 1.00 0.00 C ATOM 185 O ALA A 15 8.015 -0.881 -11.385 1.00 0.00 O ATOM 186 CB ALA A 15 7.435 -4.008 -11.545 1.00 0.00 C ATOM 0 H ALA A 15 6.922 -4.151 -9.061 1.00 0.00 H new ATOM 0 HA ALA A 15 9.128 -3.068 -10.639 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.627 -3.591 -12.533 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.877 -5.002 -11.479 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.359 -4.078 -11.384 1.00 0.00 H new ATOM 192 N TYR A 16 6.458 -1.394 -9.844 1.00 0.00 N ATOM 193 CA TYR A 16 5.838 -0.074 -9.873 1.00 0.00 C ATOM 194 C TYR A 16 6.692 0.945 -9.124 1.00 0.00 C ATOM 195 O TYR A 16 7.392 0.621 -8.165 1.00 0.00 O ATOM 196 CB TYR A 16 4.439 -0.132 -9.259 1.00 0.00 C ATOM 197 CG TYR A 16 3.425 -0.841 -10.127 1.00 0.00 C ATOM 198 CD1 TYR A 16 2.917 -0.237 -11.272 1.00 0.00 C ATOM 199 CD2 TYR A 16 2.972 -2.114 -9.805 1.00 0.00 C ATOM 200 CE1 TYR A 16 1.990 -0.880 -12.068 1.00 0.00 C ATOM 201 CE2 TYR A 16 2.048 -2.767 -10.596 1.00 0.00 C ATOM 202 CZ TYR A 16 1.559 -2.145 -11.727 1.00 0.00 C ATOM 203 OH TYR A 16 0.636 -2.790 -12.517 1.00 0.00 O ATOM 0 H TYR A 16 6.024 -2.050 -9.195 1.00 0.00 H new ATOM 0 HA TYR A 16 5.759 0.240 -10.914 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.495 -0.637 -8.295 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.093 0.884 -9.067 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.254 0.753 -11.543 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.350 -2.602 -8.919 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.605 -0.395 -12.953 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.710 -3.758 -10.332 1.00 0.00 H new ATOM 0 HH TYR A 16 0.779 -3.758 -12.463 1.00 0.00 H new ATOM 213 N PRO A 17 6.634 2.207 -9.573 1.00 0.00 N ATOM 214 CA PRO A 17 7.394 3.301 -8.962 1.00 0.00 C ATOM 215 C PRO A 17 6.872 3.666 -7.576 1.00 0.00 C ATOM 216 O PRO A 17 7.616 4.171 -6.736 1.00 0.00 O ATOM 217 CB PRO A 17 7.188 4.465 -9.934 1.00 0.00 C ATOM 218 CG PRO A 17 5.898 4.164 -10.618 1.00 0.00 C ATOM 219 CD PRO A 17 5.821 2.665 -10.713 1.00 0.00 C ATOM 0 HA PRO A 17 8.440 3.035 -8.811 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.144 5.418 -9.407 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.008 4.534 -10.648 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.055 4.563 -10.054 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.865 4.620 -11.607 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.793 2.310 -10.641 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.218 2.302 -11.661 1.00 0.00 H new ATOM 227 N TRP A 18 5.590 3.407 -7.345 1.00 0.00 N ATOM 228 CA TRP A 18 4.969 3.709 -6.061 1.00 0.00 C ATOM 229 C TRP A 18 5.251 2.605 -5.047 1.00 0.00 C ATOM 230 O TRP A 18 4.611 2.533 -3.999 1.00 0.00 O ATOM 231 CB TRP A 18 3.460 3.887 -6.231 1.00 0.00 C ATOM 232 CG TRP A 18 2.840 2.873 -7.145 1.00 0.00 C ATOM 233 CD1 TRP A 18 2.444 3.069 -8.437 1.00 0.00 C ATOM 234 CD2 TRP A 18 2.544 1.508 -6.834 1.00 0.00 C ATOM 235 NE1 TRP A 18 1.920 1.907 -8.949 1.00 0.00 N ATOM 236 CE2 TRP A 18 1.971 0.934 -7.986 1.00 0.00 C ATOM 237 CE3 TRP A 18 2.710 0.713 -5.697 1.00 0.00 C ATOM 238 CZ2 TRP A 18 1.562 -0.396 -8.030 1.00 0.00 C ATOM 239 CZ3 TRP A 18 2.303 -0.607 -5.742 1.00 0.00 C ATOM 240 CH2 TRP A 18 1.736 -1.151 -6.902 1.00 0.00 C ATOM 0 H TRP A 18 4.961 2.989 -8.030 1.00 0.00 H new ATOM 0 HA TRP A 18 5.398 4.639 -5.688 1.00 0.00 H new ATOM 0 HB2 TRP A 18 2.982 3.824 -5.253 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.261 4.886 -6.620 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.530 4.000 -8.977 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.553 1.788 -9.893 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.149 1.123 -4.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 1.123 -0.817 -8.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.424 -1.230 -4.868 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.430 -2.187 -6.906 1.00 0.00 H new ATOM 251 N PHE A 19 6.215 1.748 -5.366 1.00 0.00 N ATOM 252 CA PHE A 19 6.582 0.646 -4.483 1.00 0.00 C ATOM 253 C PHE A 19 7.682 1.070 -3.514 1.00 0.00 C ATOM 254 O PHE A 19 8.706 1.616 -3.923 1.00 0.00 O ATOM 255 CB PHE A 19 7.045 -0.561 -5.302 1.00 0.00 C ATOM 256 CG PHE A 19 7.896 -1.522 -4.524 1.00 0.00 C ATOM 257 CD1 PHE A 19 7.314 -2.475 -3.702 1.00 0.00 C ATOM 258 CD2 PHE A 19 9.278 -1.474 -4.615 1.00 0.00 C ATOM 259 CE1 PHE A 19 8.096 -3.361 -2.985 1.00 0.00 C ATOM 260 CE2 PHE A 19 10.064 -2.358 -3.898 1.00 0.00 C ATOM 261 CZ PHE A 19 9.472 -3.303 -3.084 1.00 0.00 C ATOM 0 H PHE A 19 6.756 1.795 -6.229 1.00 0.00 H new ATOM 0 HA PHE A 19 5.701 0.367 -3.906 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.171 -1.089 -5.683 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.607 -0.209 -6.167 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.238 -2.526 -3.621 1.00 0.00 H new ATOM 0 HD2 PHE A 19 9.746 -0.739 -5.252 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.631 -4.098 -2.348 1.00 0.00 H new ATOM 0 HE2 PHE A 19 11.140 -2.309 -3.975 1.00 0.00 H new ATOM 0 HZ PHE A 19 10.084 -3.996 -2.526 1.00 0.00 H new ATOM 271 N ALA A 20 7.461 0.815 -2.229 1.00 0.00 N ATOM 272 CA ALA A 20 8.433 1.167 -1.201 1.00 0.00 C ATOM 273 C ALA A 20 9.277 -0.039 -0.807 1.00 0.00 C ATOM 274 O ALA A 20 10.500 -0.020 -0.929 1.00 0.00 O ATOM 275 CB ALA A 20 7.727 1.742 0.018 1.00 0.00 C ATOM 0 H ALA A 20 6.617 0.366 -1.875 1.00 0.00 H new ATOM 0 HA ALA A 20 9.100 1.925 -1.611 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.465 2.000 0.778 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.174 2.636 -0.270 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.036 1.002 0.421 1.00 0.00 H new ATOM 281 N GLY A 21 8.613 -1.090 -0.331 1.00 0.00 N ATOM 282 CA GLY A 21 9.319 -2.290 0.075 1.00 0.00 C ATOM 283 C GLY A 21 9.894 -2.180 1.474 1.00 0.00 C ATOM 284 O GLY A 21 10.852 -1.444 1.702 1.00 0.00 O ATOM 0 H GLY A 21 7.600 -1.130 -0.220 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.639 -3.140 0.031 1.00 0.00 H new ATOM 0 HA3 GLY A 21 10.125 -2.490 -0.631 1.00 0.00 H new ATOM 288 N ASN A 22 9.306 -2.914 2.413 1.00 0.00 N ATOM 289 CA ASN A 22 9.764 -2.893 3.797 1.00 0.00 C ATOM 290 C ASN A 22 10.284 -1.510 4.178 1.00 0.00 C ATOM 291 O ASN A 22 11.414 -1.367 4.641 1.00 0.00 O ATOM 292 CB ASN A 22 10.861 -3.938 4.010 1.00 0.00 C ATOM 293 CG ASN A 22 12.203 -3.486 3.468 1.00 0.00 C ATOM 294 OD1 ASN A 22 13.089 -3.091 4.227 1.00 0.00 O ATOM 295 ND2 ASN A 22 12.359 -3.541 2.151 1.00 0.00 N ATOM 0 H ASN A 22 8.512 -3.530 2.241 1.00 0.00 H new ATOM 0 HA ASN A 22 8.915 -3.132 4.437 1.00 0.00 H new ATOM 0 HB2 ASN A 22 10.955 -4.150 5.075 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.571 -4.870 3.524 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.241 -3.249 1.729 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.597 -3.875 1.561 1.00 0.00 H new ATOM 302 N MET A 23 9.449 -0.495 3.980 1.00 0.00 N ATOM 303 CA MET A 23 9.823 0.876 4.304 1.00 0.00 C ATOM 304 C MET A 23 9.747 1.120 5.808 1.00 0.00 C ATOM 305 O MET A 23 8.960 0.484 6.509 1.00 0.00 O ATOM 306 CB MET A 23 8.914 1.863 3.570 1.00 0.00 C ATOM 307 CG MET A 23 9.334 3.315 3.734 1.00 0.00 C ATOM 308 SD MET A 23 10.483 3.855 2.454 1.00 0.00 S ATOM 309 CE MET A 23 9.495 5.088 1.610 1.00 0.00 C ATOM 0 H MET A 23 8.509 -0.597 3.597 1.00 0.00 H new ATOM 0 HA MET A 23 10.852 1.031 3.980 1.00 0.00 H new ATOM 0 HB2 MET A 23 8.903 1.614 2.509 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.894 1.745 3.935 1.00 0.00 H new ATOM 0 HG2 MET A 23 8.448 3.950 3.713 1.00 0.00 H new ATOM 0 HG3 MET A 23 9.797 3.447 4.712 1.00 0.00 H new ATOM 0 HE1 MET A 23 10.141 5.708 0.988 1.00 0.00 H new ATOM 0 HE2 MET A 23 8.754 4.593 0.983 1.00 0.00 H new ATOM 0 HE3 MET A 23 8.989 5.714 2.345 1.00 0.00 H new ATOM 319 N GLU A 24 10.570 2.042 6.297 1.00 0.00 N ATOM 320 CA GLU A 24 10.595 2.368 7.718 1.00 0.00 C ATOM 321 C GLU A 24 9.490 3.358 8.069 1.00 0.00 C ATOM 322 O GLU A 24 9.475 4.489 7.580 1.00 0.00 O ATOM 323 CB GLU A 24 11.957 2.947 8.107 1.00 0.00 C ATOM 324 CG GLU A 24 13.001 1.890 8.424 1.00 0.00 C ATOM 325 CD GLU A 24 12.877 1.354 9.837 1.00 0.00 C ATOM 326 OE1 GLU A 24 12.747 2.170 10.773 1.00 0.00 O ATOM 327 OE2 GLU A 24 12.908 0.116 10.006 1.00 0.00 O ATOM 0 H GLU A 24 11.228 2.576 5.730 1.00 0.00 H new ATOM 0 HA GLU A 24 10.426 1.449 8.278 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.322 3.573 7.293 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.832 3.594 8.975 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.905 1.066 7.717 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.996 2.314 8.286 1.00 0.00 H new ATOM 334 N ARG A 25 8.564 2.925 8.920 1.00 0.00 N ATOM 335 CA ARG A 25 7.452 3.773 9.336 1.00 0.00 C ATOM 336 C ARG A 25 7.923 5.202 9.586 1.00 0.00 C ATOM 337 O ARG A 25 7.158 6.154 9.430 1.00 0.00 O ATOM 338 CB ARG A 25 6.800 3.210 10.600 1.00 0.00 C ATOM 339 CG ARG A 25 7.798 2.717 11.633 1.00 0.00 C ATOM 340 CD ARG A 25 8.153 3.807 12.631 1.00 0.00 C ATOM 341 NE ARG A 25 9.299 3.441 13.459 1.00 0.00 N ATOM 342 CZ ARG A 25 9.649 4.094 14.561 1.00 0.00 C ATOM 343 NH1 ARG A 25 8.944 5.141 14.966 1.00 0.00 N ATOM 344 NH2 ARG A 25 10.706 3.701 15.260 1.00 0.00 N ATOM 0 H ARG A 25 8.562 1.993 9.334 1.00 0.00 H new ATOM 0 HA ARG A 25 6.717 3.787 8.532 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.175 3.981 11.050 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.141 2.387 10.323 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.382 1.860 12.162 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.703 2.373 11.131 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.373 4.731 12.096 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.293 4.007 13.270 1.00 0.00 H new ATOM 0 HE ARG A 25 9.862 2.639 13.175 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.131 5.446 14.431 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.214 5.641 15.813 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.251 2.896 14.951 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.973 4.204 16.106 1.00 0.00 H new ATOM 358 N GLN A 26 9.186 5.344 9.976 1.00 0.00 N ATOM 359 CA GLN A 26 9.757 6.658 10.250 1.00 0.00 C ATOM 360 C GLN A 26 10.212 7.333 8.961 1.00 0.00 C ATOM 361 O GLN A 26 9.902 8.498 8.716 1.00 0.00 O ATOM 362 CB GLN A 26 10.936 6.533 11.218 1.00 0.00 C ATOM 363 CG GLN A 26 11.553 7.869 11.599 1.00 0.00 C ATOM 364 CD GLN A 26 12.539 7.750 12.744 1.00 0.00 C ATOM 365 OE1 GLN A 26 12.811 6.653 13.234 1.00 0.00 O ATOM 366 NE2 GLN A 26 13.082 8.882 13.179 1.00 0.00 N ATOM 0 H GLN A 26 9.833 4.566 10.109 1.00 0.00 H new ATOM 0 HA GLN A 26 8.983 7.274 10.708 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.601 6.026 12.123 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.702 5.904 10.765 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.059 8.292 10.731 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.761 8.565 11.877 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.828 9.769 12.744 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.752 8.864 13.948 1.00 0.00 H new ATOM 375 N GLN A 27 10.950 6.593 8.139 1.00 0.00 N ATOM 376 CA GLN A 27 11.449 7.121 6.875 1.00 0.00 C ATOM 377 C GLN A 27 10.297 7.451 5.931 1.00 0.00 C ATOM 378 O GLN A 27 10.459 8.213 4.978 1.00 0.00 O ATOM 379 CB GLN A 27 12.393 6.116 6.215 1.00 0.00 C ATOM 380 CG GLN A 27 13.465 6.763 5.353 1.00 0.00 C ATOM 381 CD GLN A 27 12.966 7.114 3.966 1.00 0.00 C ATOM 382 OE1 GLN A 27 13.062 8.262 3.531 1.00 0.00 O ATOM 383 NE2 GLN A 27 12.431 6.124 3.262 1.00 0.00 N ATOM 0 H GLN A 27 11.215 5.626 8.326 1.00 0.00 H new ATOM 0 HA GLN A 27 11.998 8.039 7.085 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.873 5.518 6.990 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.809 5.431 5.600 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.825 7.667 5.845 1.00 0.00 H new ATOM 0 HG3 GLN A 27 14.315 6.086 5.268 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.372 5.188 3.662 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.079 6.300 2.321 1.00 0.00 H new ATOM 392 N THR A 28 9.131 6.872 6.202 1.00 0.00 N ATOM 393 CA THR A 28 7.952 7.101 5.376 1.00 0.00 C ATOM 394 C THR A 28 7.289 8.429 5.724 1.00 0.00 C ATOM 395 O THR A 28 6.916 9.198 4.838 1.00 0.00 O ATOM 396 CB THR A 28 6.923 5.968 5.538 1.00 0.00 C ATOM 397 OG1 THR A 28 7.595 4.716 5.712 1.00 0.00 O ATOM 398 CG2 THR A 28 6.007 5.892 4.326 1.00 0.00 C ATOM 0 H THR A 28 8.978 6.240 6.988 1.00 0.00 H new ATOM 0 HA THR A 28 8.291 7.127 4.340 1.00 0.00 H new ATOM 0 HB THR A 28 6.318 6.181 6.419 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.965 4.666 6.618 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.288 5.084 4.463 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.474 6.836 4.213 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.601 5.701 3.432 1.00 0.00 H new ATOM 406 N ASP A 29 7.145 8.692 7.018 1.00 0.00 N ATOM 407 CA ASP A 29 6.527 9.929 7.482 1.00 0.00 C ATOM 408 C ASP A 29 7.522 11.084 7.437 1.00 0.00 C ATOM 409 O ASP A 29 7.147 12.245 7.591 1.00 0.00 O ATOM 410 CB ASP A 29 5.994 9.754 8.906 1.00 0.00 C ATOM 411 CG ASP A 29 4.895 10.743 9.237 1.00 0.00 C ATOM 412 OD1 ASP A 29 5.066 11.942 8.936 1.00 0.00 O ATOM 413 OD2 ASP A 29 3.863 10.318 9.800 1.00 0.00 O ATOM 0 H ASP A 29 7.448 8.066 7.764 1.00 0.00 H new ATOM 0 HA ASP A 29 5.696 10.163 6.817 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.614 8.739 9.027 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.813 9.874 9.615 1.00 0.00 H new ATOM 418 N ASN A 30 8.793 10.756 7.227 1.00 0.00 N ATOM 419 CA ASN A 30 9.843 11.765 7.163 1.00 0.00 C ATOM 420 C ASN A 30 10.015 12.281 5.737 1.00 0.00 C ATOM 421 O ASN A 30 10.303 13.460 5.522 1.00 0.00 O ATOM 422 CB ASN A 30 11.165 11.189 7.673 1.00 0.00 C ATOM 423 CG ASN A 30 11.313 11.324 9.176 1.00 0.00 C ATOM 424 OD1 ASN A 30 10.442 11.875 9.850 1.00 0.00 O ATOM 425 ND2 ASN A 30 12.420 10.821 9.709 1.00 0.00 N ATOM 0 H ASN A 30 9.120 9.799 7.098 1.00 0.00 H new ATOM 0 HA ASN A 30 9.550 12.600 7.799 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.230 10.136 7.397 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.994 11.699 7.182 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.575 10.883 10.715 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.115 10.373 9.112 1.00 0.00 H new ATOM 432 N LEU A 31 9.839 11.391 4.767 1.00 0.00 N ATOM 433 CA LEU A 31 9.974 11.755 3.361 1.00 0.00 C ATOM 434 C LEU A 31 8.640 12.223 2.789 1.00 0.00 C ATOM 435 O LEU A 31 8.592 13.143 1.971 1.00 0.00 O ATOM 436 CB LEU A 31 10.499 10.566 2.554 1.00 0.00 C ATOM 437 CG LEU A 31 9.467 9.506 2.172 1.00 0.00 C ATOM 438 CD1 LEU A 31 8.840 9.831 0.826 1.00 0.00 C ATOM 439 CD2 LEU A 31 10.105 8.125 2.146 1.00 0.00 C ATOM 0 H LEU A 31 9.602 10.412 4.928 1.00 0.00 H new ATOM 0 HA LEU A 31 10.687 12.577 3.291 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.955 10.946 1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.290 10.084 3.128 1.00 0.00 H new ATOM 0 HG LEU A 31 8.679 9.506 2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.108 9.065 0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.346 10.801 0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.616 9.860 0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.355 7.383 1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.913 8.111 1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.504 7.890 3.133 1.00 0.00 H new ATOM 451 N LEU A 32 7.559 11.586 3.225 1.00 0.00 N ATOM 452 CA LEU A 32 6.223 11.939 2.758 1.00 0.00 C ATOM 453 C LEU A 32 5.838 13.341 3.216 1.00 0.00 C ATOM 454 O LEU A 32 5.261 14.118 2.455 1.00 0.00 O ATOM 455 CB LEU A 32 5.198 10.924 3.268 1.00 0.00 C ATOM 456 CG LEU A 32 5.160 9.582 2.536 1.00 0.00 C ATOM 457 CD1 LEU A 32 4.044 8.707 3.084 1.00 0.00 C ATOM 458 CD2 LEU A 32 4.986 9.796 1.039 1.00 0.00 C ATOM 0 H LEU A 32 7.581 10.823 3.901 1.00 0.00 H new ATOM 0 HA LEU A 32 6.231 11.923 1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.398 10.734 4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.208 11.376 3.208 1.00 0.00 H new ATOM 0 HG LEU A 32 6.109 9.072 2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.032 7.756 2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.212 8.526 4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.087 9.211 2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.961 8.830 0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.052 10.327 0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.820 10.384 0.656 1.00 0.00 H new ATOM 470 N LYS A 33 6.164 13.660 4.463 1.00 0.00 N ATOM 471 CA LYS A 33 5.856 14.972 5.024 1.00 0.00 C ATOM 472 C LYS A 33 6.392 16.084 4.129 1.00 0.00 C ATOM 473 O LYS A 33 5.882 17.205 4.144 1.00 0.00 O ATOM 474 CB LYS A 33 6.451 15.100 6.428 1.00 0.00 C ATOM 475 CG LYS A 33 7.940 15.402 6.433 1.00 0.00 C ATOM 476 CD LYS A 33 8.507 15.391 7.843 1.00 0.00 C ATOM 477 CE LYS A 33 9.902 15.992 7.887 1.00 0.00 C ATOM 478 NZ LYS A 33 10.505 15.898 9.247 1.00 0.00 N ATOM 0 H LYS A 33 6.642 13.029 5.106 1.00 0.00 H new ATOM 0 HA LYS A 33 4.772 15.070 5.085 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.927 15.891 6.965 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.275 14.173 6.974 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.464 14.665 5.824 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.116 16.376 5.977 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.847 15.951 8.506 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.539 14.367 8.215 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.542 15.478 7.170 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.857 17.037 7.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.456 16.319 9.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.908 16.410 9.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.572 14.899 9.529 1.00 0.00 H new ATOM 492 N SER A 34 7.422 15.768 3.351 1.00 0.00 N ATOM 493 CA SER A 34 8.028 16.743 2.451 1.00 0.00 C ATOM 494 C SER A 34 7.274 16.802 1.126 1.00 0.00 C ATOM 495 O SER A 34 7.230 17.842 0.469 1.00 0.00 O ATOM 496 CB SER A 34 9.496 16.393 2.200 1.00 0.00 C ATOM 497 OG SER A 34 10.186 17.483 1.612 1.00 0.00 O ATOM 0 H SER A 34 7.855 14.845 3.325 1.00 0.00 H new ATOM 0 HA SER A 34 7.971 17.723 2.925 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.974 16.120 3.141 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.559 15.523 1.546 1.00 0.00 H new ATOM 0 HG SER A 34 11.122 17.235 1.463 1.00 0.00 H new ATOM 503 N HIS A 35 6.680 15.676 0.740 1.00 0.00 N ATOM 504 CA HIS A 35 5.927 15.598 -0.506 1.00 0.00 C ATOM 505 C HIS A 35 4.658 16.440 -0.427 1.00 0.00 C ATOM 506 O HIS A 35 4.397 17.094 0.582 1.00 0.00 O ATOM 507 CB HIS A 35 5.570 14.146 -0.821 1.00 0.00 C ATOM 508 CG HIS A 35 6.630 13.423 -1.595 1.00 0.00 C ATOM 509 ND1 HIS A 35 6.668 13.394 -2.974 1.00 0.00 N ATOM 510 CD2 HIS A 35 7.695 12.701 -1.176 1.00 0.00 C ATOM 511 CE1 HIS A 35 7.710 12.684 -3.368 1.00 0.00 C ATOM 512 NE2 HIS A 35 8.351 12.253 -2.296 1.00 0.00 N ATOM 0 H HIS A 35 6.706 14.806 1.272 1.00 0.00 H new ATOM 0 HA HIS A 35 6.554 15.992 -1.306 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.387 13.615 0.113 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.639 14.124 -1.388 1.00 0.00 H new ATOM 0 HD2 HIS A 35 7.977 12.512 -0.151 1.00 0.00 H new ATOM 0 HE1 HIS A 35 7.990 12.489 -4.393 1.00 0.00 H new ATOM 0 HE2 HIS A 35 9.195 11.681 -2.300 1.00 0.00 H new ATOM 521 N ALA A 36 3.871 16.419 -1.498 1.00 0.00 N ATOM 522 CA ALA A 36 2.628 17.180 -1.549 1.00 0.00 C ATOM 523 C ALA A 36 1.480 16.396 -0.923 1.00 0.00 C ATOM 524 O ALA A 36 1.681 15.312 -0.375 1.00 0.00 O ATOM 525 CB ALA A 36 2.295 17.550 -2.987 1.00 0.00 C ATOM 0 H ALA A 36 4.072 15.883 -2.342 1.00 0.00 H new ATOM 0 HA ALA A 36 2.766 18.095 -0.973 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.365 18.118 -3.011 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.100 18.156 -3.403 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.181 16.642 -3.579 1.00 0.00 H new ATOM 531 N SER A 37 0.275 16.952 -1.008 1.00 0.00 N ATOM 532 CA SER A 37 -0.905 16.306 -0.446 1.00 0.00 C ATOM 533 C SER A 37 -1.511 15.321 -1.440 1.00 0.00 C ATOM 534 O SER A 37 -2.718 15.079 -1.435 1.00 0.00 O ATOM 535 CB SER A 37 -1.947 17.356 -0.051 1.00 0.00 C ATOM 536 OG SER A 37 -2.692 17.783 -1.178 1.00 0.00 O ATOM 0 H SER A 37 0.091 17.847 -1.460 1.00 0.00 H new ATOM 0 HA SER A 37 -0.599 15.755 0.443 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.621 16.941 0.698 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.450 18.212 0.406 1.00 0.00 H new ATOM 0 HG SER A 37 -3.352 18.452 -0.900 1.00 0.00 H new ATOM 542 N GLY A 38 -0.664 14.753 -2.294 1.00 0.00 N ATOM 543 CA GLY A 38 -1.133 13.801 -3.283 1.00 0.00 C ATOM 544 C GLY A 38 -0.134 12.690 -3.538 1.00 0.00 C ATOM 545 O GLY A 38 -0.258 11.944 -4.510 1.00 0.00 O ATOM 0 H GLY A 38 0.339 14.936 -2.318 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.075 13.368 -2.948 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.337 14.324 -4.218 1.00 0.00 H new ATOM 549 N THR A 39 0.863 12.580 -2.664 1.00 0.00 N ATOM 550 CA THR A 39 1.890 11.556 -2.801 1.00 0.00 C ATOM 551 C THR A 39 1.501 10.286 -2.054 1.00 0.00 C ATOM 552 O THR A 39 1.254 10.313 -0.848 1.00 0.00 O ATOM 553 CB THR A 39 3.251 12.051 -2.276 1.00 0.00 C ATOM 554 OG1 THR A 39 3.792 13.032 -3.168 1.00 0.00 O ATOM 555 CG2 THR A 39 4.228 10.893 -2.132 1.00 0.00 C ATOM 0 H THR A 39 0.980 13.188 -1.854 1.00 0.00 H new ATOM 0 HA THR A 39 1.978 11.336 -3.865 1.00 0.00 H new ATOM 0 HB THR A 39 3.097 12.500 -1.295 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.771 12.982 -3.155 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.182 11.266 -1.760 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.825 10.162 -1.430 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.377 10.420 -3.103 1.00 0.00 H new ATOM 563 N TYR A 40 1.449 9.171 -2.777 1.00 0.00 N ATOM 564 CA TYR A 40 1.089 7.891 -2.182 1.00 0.00 C ATOM 565 C TYR A 40 2.217 6.877 -2.347 1.00 0.00 C ATOM 566 O TYR A 40 3.140 7.079 -3.137 1.00 0.00 O ATOM 567 CB TYR A 40 -0.193 7.351 -2.819 1.00 0.00 C ATOM 568 CG TYR A 40 -0.001 6.844 -4.230 1.00 0.00 C ATOM 569 CD1 TYR A 40 0.121 7.728 -5.296 1.00 0.00 C ATOM 570 CD2 TYR A 40 0.059 5.482 -4.498 1.00 0.00 C ATOM 571 CE1 TYR A 40 0.296 7.268 -6.587 1.00 0.00 C ATOM 572 CE2 TYR A 40 0.235 5.015 -5.786 1.00 0.00 C ATOM 573 CZ TYR A 40 0.352 5.911 -6.827 1.00 0.00 C ATOM 574 OH TYR A 40 0.527 5.450 -8.112 1.00 0.00 O ATOM 0 H TYR A 40 1.652 9.130 -3.776 1.00 0.00 H new ATOM 0 HA TYR A 40 0.919 8.050 -1.117 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.583 6.542 -2.201 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.946 8.139 -2.824 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.078 8.791 -5.112 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.034 4.777 -3.686 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.389 7.968 -7.404 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.281 3.953 -5.977 1.00 0.00 H new ATOM 0 HH TYR A 40 0.978 4.580 -8.089 1.00 0.00 H new ATOM 584 N LEU A 41 2.136 5.784 -1.595 1.00 0.00 N ATOM 585 CA LEU A 41 3.150 4.736 -1.656 1.00 0.00 C ATOM 586 C LEU A 41 2.645 3.451 -1.009 1.00 0.00 C ATOM 587 O LEU A 41 1.719 3.477 -0.197 1.00 0.00 O ATOM 588 CB LEU A 41 4.433 5.200 -0.965 1.00 0.00 C ATOM 589 CG LEU A 41 4.510 4.951 0.542 1.00 0.00 C ATOM 590 CD1 LEU A 41 5.146 3.599 0.829 1.00 0.00 C ATOM 591 CD2 LEU A 41 5.290 6.065 1.226 1.00 0.00 C ATOM 0 H LEU A 41 1.379 5.601 -0.936 1.00 0.00 H new ATOM 0 HA LEU A 41 3.364 4.532 -2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.278 4.701 -1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.552 6.269 -1.143 1.00 0.00 H new ATOM 0 HG LEU A 41 3.496 4.944 0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.192 3.440 1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.548 2.811 0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.154 3.576 0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.335 5.872 2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.301 6.103 0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.793 7.019 1.050 1.00 0.00 H new ATOM 603 N ILE A 42 3.259 2.331 -1.372 1.00 0.00 N ATOM 604 CA ILE A 42 2.873 1.037 -0.823 1.00 0.00 C ATOM 605 C ILE A 42 4.083 0.294 -0.265 1.00 0.00 C ATOM 606 O ILE A 42 5.015 -0.036 -0.998 1.00 0.00 O ATOM 607 CB ILE A 42 2.190 0.156 -1.886 1.00 0.00 C ATOM 608 CG1 ILE A 42 0.765 0.648 -2.147 1.00 0.00 C ATOM 609 CG2 ILE A 42 2.180 -1.299 -1.441 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.688 1.768 -3.161 1.00 0.00 C ATOM 0 H ILE A 42 4.026 2.293 -2.044 1.00 0.00 H new ATOM 0 HA ILE A 42 2.166 1.234 -0.017 1.00 0.00 H new ATOM 0 HB ILE A 42 2.756 0.228 -2.815 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.159 -0.188 -2.495 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.329 0.989 -1.208 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.694 -1.909 -2.202 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.204 -1.643 -1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.634 -1.388 -0.502 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.352 2.066 -3.296 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.267 2.621 -2.806 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.093 1.425 -4.113 1.00 0.00 H new ATOM 622 N ARG A 43 4.060 0.032 1.038 1.00 0.00 N ATOM 623 CA ARG A 43 5.154 -0.673 1.696 1.00 0.00 C ATOM 624 C ARG A 43 4.678 -2.006 2.265 1.00 0.00 C ATOM 625 O ARG A 43 3.488 -2.320 2.221 1.00 0.00 O ATOM 626 CB ARG A 43 5.745 0.189 2.813 1.00 0.00 C ATOM 627 CG ARG A 43 4.793 0.416 3.976 1.00 0.00 C ATOM 628 CD ARG A 43 5.546 0.694 5.267 1.00 0.00 C ATOM 629 NE ARG A 43 4.654 1.132 6.338 1.00 0.00 N ATOM 630 CZ ARG A 43 4.984 1.107 7.624 1.00 0.00 C ATOM 631 NH1 ARG A 43 6.178 0.670 7.998 1.00 0.00 N ATOM 632 NH2 ARG A 43 4.118 1.523 8.540 1.00 0.00 N ATOM 0 H ARG A 43 3.296 0.297 1.659 1.00 0.00 H new ATOM 0 HA ARG A 43 5.925 -0.871 0.952 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.653 -0.286 3.185 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.037 1.154 2.400 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.134 1.255 3.750 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.159 -0.461 4.105 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.073 -0.207 5.580 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.301 1.459 5.088 1.00 0.00 H new ATOM 0 HE ARG A 43 3.728 1.476 6.084 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.847 0.351 7.297 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.428 0.652 8.987 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.199 1.862 8.256 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.372 1.504 9.528 1.00 0.00 H new ATOM 646 N GLU A 44 5.614 -2.785 2.796 1.00 0.00 N ATOM 647 CA GLU A 44 5.289 -4.085 3.372 1.00 0.00 C ATOM 648 C GLU A 44 5.653 -4.129 4.854 1.00 0.00 C ATOM 649 O GLU A 44 6.817 -3.979 5.222 1.00 0.00 O ATOM 650 CB GLU A 44 6.023 -5.197 2.621 1.00 0.00 C ATOM 651 CG GLU A 44 6.175 -6.478 3.426 1.00 0.00 C ATOM 652 CD GLU A 44 6.853 -7.584 2.642 1.00 0.00 C ATOM 653 OE1 GLU A 44 6.231 -8.106 1.693 1.00 0.00 O ATOM 654 OE2 GLU A 44 8.006 -7.927 2.976 1.00 0.00 O ATOM 0 H GLU A 44 6.603 -2.539 2.840 1.00 0.00 H new ATOM 0 HA GLU A 44 4.214 -4.240 3.275 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.484 -5.419 1.700 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.012 -4.839 2.334 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.753 -6.270 4.327 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.191 -6.818 3.750 1.00 0.00 H new ATOM 749 N ARG A 51 0.943 -8.264 5.245 1.00 0.00 N ATOM 750 CA ARG A 51 2.196 -8.207 4.502 1.00 0.00 C ATOM 751 C ARG A 51 2.167 -7.081 3.473 1.00 0.00 C ATOM 752 O ARG A 51 2.842 -7.147 2.445 1.00 0.00 O ATOM 753 CB ARG A 51 2.461 -9.543 3.805 1.00 0.00 C ATOM 754 CG ARG A 51 3.220 -10.539 4.666 1.00 0.00 C ATOM 755 CD ARG A 51 4.678 -10.138 4.829 1.00 0.00 C ATOM 756 NE ARG A 51 5.368 -10.967 5.813 1.00 0.00 N ATOM 757 CZ ARG A 51 5.766 -12.212 5.576 1.00 0.00 C ATOM 758 NH1 ARG A 51 5.544 -12.769 4.392 1.00 0.00 N ATOM 759 NH2 ARG A 51 6.387 -12.903 6.522 1.00 0.00 N ATOM 0 HA ARG A 51 3.001 -8.008 5.210 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.509 -9.983 3.508 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.026 -9.361 2.891 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.749 -10.607 5.646 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.162 -11.530 4.215 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.186 -10.219 3.868 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.734 -9.093 5.133 1.00 0.00 H new ATOM 0 HE ARG A 51 5.555 -10.568 6.733 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.067 -12.241 3.661 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.851 -13.725 4.213 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.560 -12.479 7.433 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.692 -13.859 6.338 1.00 0.00 H new ATOM 773 N PHE A 52 1.381 -6.048 3.756 1.00 0.00 N ATOM 774 CA PHE A 52 1.262 -4.908 2.854 1.00 0.00 C ATOM 775 C PHE A 52 0.628 -3.716 3.564 1.00 0.00 C ATOM 776 O PHE A 52 -0.213 -3.881 4.449 1.00 0.00 O ATOM 777 CB PHE A 52 0.431 -5.285 1.626 1.00 0.00 C ATOM 778 CG PHE A 52 1.140 -6.216 0.685 1.00 0.00 C ATOM 779 CD1 PHE A 52 2.368 -5.872 0.143 1.00 0.00 C ATOM 780 CD2 PHE A 52 0.579 -7.435 0.341 1.00 0.00 C ATOM 781 CE1 PHE A 52 3.024 -6.726 -0.723 1.00 0.00 C ATOM 782 CE2 PHE A 52 1.231 -8.294 -0.524 1.00 0.00 C ATOM 783 CZ PHE A 52 2.454 -7.938 -1.058 1.00 0.00 C ATOM 0 H PHE A 52 0.817 -5.976 4.603 1.00 0.00 H new ATOM 0 HA PHE A 52 2.265 -4.626 2.533 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.498 -5.752 1.955 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.158 -4.377 1.089 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.818 -4.925 0.401 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.378 -7.717 0.753 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.981 -6.446 -1.137 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.784 -9.243 -0.782 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.963 -8.606 -1.736 1.00 0.00 H new ATOM 793 N ALA A 53 1.038 -2.514 3.172 1.00 0.00 N ATOM 794 CA ALA A 53 0.509 -1.294 3.770 1.00 0.00 C ATOM 795 C ALA A 53 0.556 -0.133 2.782 1.00 0.00 C ATOM 796 O ALA A 53 1.513 0.006 2.020 1.00 0.00 O ATOM 797 CB ALA A 53 1.283 -0.947 5.033 1.00 0.00 C ATOM 0 H ALA A 53 1.735 -2.359 2.443 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.534 -1.470 4.033 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.877 -0.034 5.469 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.193 -1.763 5.750 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.334 -0.795 4.786 1.00 0.00 H new ATOM 803 N ILE A 54 -0.482 0.695 2.799 1.00 0.00 N ATOM 804 CA ILE A 54 -0.558 1.843 1.904 1.00 0.00 C ATOM 805 C ILE A 54 -0.428 3.152 2.677 1.00 0.00 C ATOM 806 O ILE A 54 -1.212 3.430 3.585 1.00 0.00 O ATOM 807 CB ILE A 54 -1.881 1.856 1.115 1.00 0.00 C ATOM 808 CG1 ILE A 54 -2.066 0.534 0.367 1.00 0.00 C ATOM 809 CG2 ILE A 54 -1.908 3.028 0.146 1.00 0.00 C ATOM 810 CD1 ILE A 54 -3.514 0.191 0.097 1.00 0.00 C ATOM 0 H ILE A 54 -1.283 0.593 3.423 1.00 0.00 H new ATOM 0 HA ILE A 54 0.272 1.752 1.204 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.706 1.973 1.818 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.530 0.584 -0.581 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.613 -0.269 0.948 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.849 3.024 -0.404 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.817 3.961 0.701 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.078 2.940 -0.555 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.570 -0.758 -0.436 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.051 0.109 1.042 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.967 0.975 -0.510 1.00 0.00 H new ATOM 822 N SER A 55 0.567 3.953 2.310 1.00 0.00 N ATOM 823 CA SER A 55 0.801 5.232 2.969 1.00 0.00 C ATOM 824 C SER A 55 0.659 6.386 1.983 1.00 0.00 C ATOM 825 O SER A 55 1.324 6.418 0.946 1.00 0.00 O ATOM 826 CB SER A 55 2.195 5.256 3.601 1.00 0.00 C ATOM 827 OG SER A 55 2.324 6.335 4.511 1.00 0.00 O ATOM 0 H SER A 55 1.224 3.739 1.560 1.00 0.00 H new ATOM 0 HA SER A 55 0.052 5.351 3.751 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.379 4.315 4.119 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.950 5.343 2.820 1.00 0.00 H new ATOM 0 HG SER A 55 3.222 6.327 4.902 1.00 0.00 H new ATOM 833 N ILE A 56 -0.213 7.333 2.311 1.00 0.00 N ATOM 834 CA ILE A 56 -0.443 8.490 1.455 1.00 0.00 C ATOM 835 C ILE A 56 -0.470 9.779 2.269 1.00 0.00 C ATOM 836 O ILE A 56 -0.962 9.804 3.398 1.00 0.00 O ATOM 837 CB ILE A 56 -1.765 8.360 0.676 1.00 0.00 C ATOM 838 CG1 ILE A 56 -2.042 6.893 0.340 1.00 0.00 C ATOM 839 CG2 ILE A 56 -1.717 9.200 -0.592 1.00 0.00 C ATOM 840 CD1 ILE A 56 -2.824 6.165 1.411 1.00 0.00 C ATOM 0 H ILE A 56 -0.772 7.322 3.164 1.00 0.00 H new ATOM 0 HA ILE A 56 0.384 8.528 0.746 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.577 8.729 1.302 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.593 6.842 -0.599 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.094 6.380 0.182 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.658 9.098 -1.132 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.561 10.246 -0.330 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.897 8.858 -1.224 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.984 5.131 1.106 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.265 6.185 2.347 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.788 6.654 1.554 1.00 0.00 H new ATOM 852 N LYS A 57 0.058 10.851 1.688 1.00 0.00 N ATOM 853 CA LYS A 57 0.092 12.146 2.356 1.00 0.00 C ATOM 854 C LYS A 57 -1.185 12.934 2.082 1.00 0.00 C ATOM 855 O LYS A 57 -1.473 13.289 0.939 1.00 0.00 O ATOM 856 CB LYS A 57 1.309 12.950 1.894 1.00 0.00 C ATOM 857 CG LYS A 57 1.467 14.281 2.610 1.00 0.00 C ATOM 858 CD LYS A 57 1.832 14.087 4.072 1.00 0.00 C ATOM 859 CE LYS A 57 1.600 15.357 4.876 1.00 0.00 C ATOM 860 NZ LYS A 57 2.482 16.468 4.425 1.00 0.00 N ATOM 0 H LYS A 57 0.469 10.848 0.754 1.00 0.00 H new ATOM 0 HA LYS A 57 0.166 11.971 3.429 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.208 12.354 2.050 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.229 13.131 0.822 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.239 14.871 2.116 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.538 14.847 2.538 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.238 13.275 4.492 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.878 13.791 4.151 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.557 15.660 4.783 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.780 15.156 5.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.852 16.975 5.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.274 16.080 3.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.936 17.125 3.832 1.00 0.00 H new ATOM 874 N PHE A 58 -1.945 13.206 3.137 1.00 0.00 N ATOM 875 CA PHE A 58 -3.192 13.952 3.009 1.00 0.00 C ATOM 876 C PHE A 58 -3.546 14.647 4.320 1.00 0.00 C ATOM 877 O PHE A 58 -3.536 14.030 5.385 1.00 0.00 O ATOM 878 CB PHE A 58 -4.330 13.019 2.590 1.00 0.00 C ATOM 879 CG PHE A 58 -5.663 13.703 2.497 1.00 0.00 C ATOM 880 CD1 PHE A 58 -6.013 14.417 1.362 1.00 0.00 C ATOM 881 CD2 PHE A 58 -6.566 13.635 3.545 1.00 0.00 C ATOM 882 CE1 PHE A 58 -7.240 15.048 1.273 1.00 0.00 C ATOM 883 CE2 PHE A 58 -7.795 14.262 3.462 1.00 0.00 C ATOM 884 CZ PHE A 58 -8.131 14.971 2.326 1.00 0.00 C ATOM 0 H PHE A 58 -1.720 12.921 4.090 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.054 14.712 2.240 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.089 12.577 1.623 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.400 12.200 3.306 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.319 14.481 0.537 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.307 13.085 4.438 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.501 15.600 0.382 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.492 14.197 4.285 1.00 0.00 H new ATOM 0 HZ PHE A 58 -9.089 15.465 2.261 1.00 0.00 H new ATOM 894 N ASN A 59 -3.861 15.935 4.235 1.00 0.00 N ATOM 895 CA ASN A 59 -4.217 16.716 5.414 1.00 0.00 C ATOM 896 C ASN A 59 -3.004 16.926 6.315 1.00 0.00 C ATOM 897 O ASN A 59 -3.106 16.848 7.539 1.00 0.00 O ATOM 898 CB ASN A 59 -5.332 16.017 6.195 1.00 0.00 C ATOM 899 CG ASN A 59 -6.217 16.996 6.941 1.00 0.00 C ATOM 900 OD1 ASN A 59 -5.735 17.812 7.727 1.00 0.00 O ATOM 901 ND2 ASN A 59 -7.521 16.919 6.697 1.00 0.00 N ATOM 0 H ASN A 59 -3.877 16.461 3.361 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.571 17.691 5.080 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.942 15.432 5.507 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.891 15.317 6.904 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.166 17.552 7.169 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.876 16.227 6.037 1.00 0.00 H new ATOM 908 N ASP A 60 -1.857 17.193 5.700 1.00 0.00 N ATOM 909 CA ASP A 60 -0.624 17.417 6.446 1.00 0.00 C ATOM 910 C ASP A 60 -0.392 16.300 7.459 1.00 0.00 C ATOM 911 O ASP A 60 0.152 16.532 8.537 1.00 0.00 O ATOM 912 CB ASP A 60 -0.672 18.768 7.160 1.00 0.00 C ATOM 913 CG ASP A 60 -0.169 19.902 6.288 1.00 0.00 C ATOM 914 OD1 ASP A 60 1.016 19.868 5.897 1.00 0.00 O ATOM 915 OD2 ASP A 60 -0.960 20.823 5.997 1.00 0.00 O ATOM 0 H ASP A 60 -1.755 17.260 4.687 1.00 0.00 H new ATOM 0 HA ASP A 60 0.205 17.419 5.738 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.697 18.977 7.467 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.071 18.717 8.068 1.00 0.00 H new ATOM 920 N GLU A 61 -0.809 15.089 7.104 1.00 0.00 N ATOM 921 CA GLU A 61 -0.648 13.938 7.983 1.00 0.00 C ATOM 922 C GLU A 61 -0.475 12.655 7.175 1.00 0.00 C ATOM 923 O GLU A 61 -1.222 12.397 6.232 1.00 0.00 O ATOM 924 CB GLU A 61 -1.854 13.808 8.916 1.00 0.00 C ATOM 925 CG GLU A 61 -1.881 14.845 10.025 1.00 0.00 C ATOM 926 CD GLU A 61 -3.055 14.663 10.966 1.00 0.00 C ATOM 927 OE1 GLU A 61 -3.405 13.499 11.259 1.00 0.00 O ATOM 928 OE2 GLU A 61 -3.624 15.681 11.411 1.00 0.00 O ATOM 0 H GLU A 61 -1.261 14.880 6.214 1.00 0.00 H new ATOM 0 HA GLU A 61 0.250 14.093 8.581 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.768 13.893 8.328 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.853 12.813 9.361 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.953 14.788 10.593 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.924 15.841 9.585 1.00 0.00 H new ATOM 935 N VAL A 62 0.517 11.854 7.552 1.00 0.00 N ATOM 936 CA VAL A 62 0.788 10.598 6.864 1.00 0.00 C ATOM 937 C VAL A 62 -0.051 9.463 7.439 1.00 0.00 C ATOM 938 O VAL A 62 0.216 8.972 8.536 1.00 0.00 O ATOM 939 CB VAL A 62 2.278 10.218 6.957 1.00 0.00 C ATOM 940 CG1 VAL A 62 2.542 8.909 6.228 1.00 0.00 C ATOM 941 CG2 VAL A 62 3.149 11.333 6.399 1.00 0.00 C ATOM 0 H VAL A 62 1.146 12.053 8.330 1.00 0.00 H new ATOM 0 HA VAL A 62 0.522 10.747 5.817 1.00 0.00 H new ATOM 0 HB VAL A 62 2.534 10.080 8.007 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.600 8.657 6.305 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.946 8.115 6.678 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.270 9.016 5.178 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.198 11.047 6.473 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.893 11.506 5.354 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.981 12.246 6.970 1.00 0.00 H new ATOM 951 N LYS A 63 -1.068 9.049 6.691 1.00 0.00 N ATOM 952 CA LYS A 63 -1.948 7.971 7.124 1.00 0.00 C ATOM 953 C LYS A 63 -1.413 6.616 6.670 1.00 0.00 C ATOM 954 O LYS A 63 -1.078 6.431 5.500 1.00 0.00 O ATOM 955 CB LYS A 63 -3.360 8.183 6.573 1.00 0.00 C ATOM 956 CG LYS A 63 -4.197 9.145 7.398 1.00 0.00 C ATOM 957 CD LYS A 63 -3.667 10.567 7.306 1.00 0.00 C ATOM 958 CE LYS A 63 -4.696 11.577 7.789 1.00 0.00 C ATOM 959 NZ LYS A 63 -4.898 11.503 9.263 1.00 0.00 N ATOM 0 H LYS A 63 -1.303 9.445 5.781 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.984 7.982 8.213 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.290 8.559 5.552 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.870 7.221 6.524 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.230 9.118 7.052 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.201 8.824 8.440 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.759 10.657 7.902 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.394 10.789 6.274 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.374 12.582 7.517 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.645 11.399 7.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.911 11.596 9.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.551 10.588 9.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.373 12.273 9.724 1.00 0.00 H new ATOM 973 N HIS A 64 -1.337 5.672 7.603 1.00 0.00 N ATOM 974 CA HIS A 64 -0.843 4.334 7.298 1.00 0.00 C ATOM 975 C HIS A 64 -1.986 3.323 7.289 1.00 0.00 C ATOM 976 O HIS A 64 -2.604 3.062 8.321 1.00 0.00 O ATOM 977 CB HIS A 64 0.217 3.913 8.315 1.00 0.00 C ATOM 978 CG HIS A 64 1.560 4.528 8.070 1.00 0.00 C ATOM 979 ND1 HIS A 64 2.447 4.049 7.128 1.00 0.00 N ATOM 980 CD2 HIS A 64 2.167 5.592 8.647 1.00 0.00 C ATOM 981 CE1 HIS A 64 3.541 4.789 7.139 1.00 0.00 C ATOM 982 NE2 HIS A 64 3.396 5.732 8.051 1.00 0.00 N ATOM 0 H HIS A 64 -1.611 5.809 8.576 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.393 4.358 6.306 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.122 4.186 9.314 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.315 2.828 8.297 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.760 6.215 9.430 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.407 4.647 6.509 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.086 6.449 8.277 1.00 0.00 H new ATOM 991 N ILE A 65 -2.262 2.759 6.118 1.00 0.00 N ATOM 992 CA ILE A 65 -3.330 1.777 5.976 1.00 0.00 C ATOM 993 C ILE A 65 -2.767 0.365 5.862 1.00 0.00 C ATOM 994 O ILE A 65 -2.204 -0.010 4.833 1.00 0.00 O ATOM 995 CB ILE A 65 -4.205 2.071 4.742 1.00 0.00 C ATOM 996 CG1 ILE A 65 -4.711 3.514 4.781 1.00 0.00 C ATOM 997 CG2 ILE A 65 -5.371 1.096 4.676 1.00 0.00 C ATOM 998 CD1 ILE A 65 -5.058 4.069 3.418 1.00 0.00 C ATOM 0 H ILE A 65 -1.761 2.965 5.254 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.946 1.848 6.873 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.599 1.943 3.845 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.593 3.564 5.420 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.949 4.145 5.238 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.980 1.316 3.799 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.990 0.077 4.607 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.980 1.195 5.575 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.410 5.096 3.522 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.173 4.051 2.782 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.842 3.461 2.966 1.00 0.00 H new ATOM 1010 N LYS A 66 -2.924 -0.417 6.924 1.00 0.00 N ATOM 1011 CA LYS A 66 -2.434 -1.790 6.944 1.00 0.00 C ATOM 1012 C LYS A 66 -3.274 -2.680 6.033 1.00 0.00 C ATOM 1013 O LYS A 66 -4.447 -2.933 6.306 1.00 0.00 O ATOM 1014 CB LYS A 66 -2.454 -2.340 8.372 1.00 0.00 C ATOM 1015 CG LYS A 66 -3.789 -2.161 9.074 1.00 0.00 C ATOM 1016 CD LYS A 66 -3.783 -2.798 10.454 1.00 0.00 C ATOM 1017 CE LYS A 66 -5.176 -3.252 10.864 1.00 0.00 C ATOM 1018 NZ LYS A 66 -5.129 -4.293 11.928 1.00 0.00 N ATOM 0 H LYS A 66 -3.388 -0.123 7.784 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.408 -1.789 6.576 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.205 -3.401 8.347 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.677 -1.844 8.954 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.014 -1.098 9.164 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.581 -2.605 8.471 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.105 -3.651 10.459 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.402 -2.084 11.184 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.747 -2.395 11.220 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.701 -3.646 9.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.098 -4.576 12.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.606 -5.122 11.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.651 -3.909 12.768 1.00 0.00 H new ATOM 1032 N VAL A 67 -2.665 -3.153 4.950 1.00 0.00 N ATOM 1033 CA VAL A 67 -3.355 -4.018 4.001 1.00 0.00 C ATOM 1034 C VAL A 67 -3.481 -5.438 4.540 1.00 0.00 C ATOM 1035 O VAL A 67 -2.490 -6.160 4.653 1.00 0.00 O ATOM 1036 CB VAL A 67 -2.626 -4.057 2.645 1.00 0.00 C ATOM 1037 CG1 VAL A 67 -3.279 -5.070 1.717 1.00 0.00 C ATOM 1038 CG2 VAL A 67 -2.605 -2.675 2.010 1.00 0.00 C ATOM 0 H VAL A 67 -1.695 -2.951 4.708 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.351 -3.599 3.858 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.595 -4.368 2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.751 -5.084 0.764 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.235 -6.060 2.171 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.320 -4.793 1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.086 -2.722 1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.627 -2.332 1.852 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.087 -1.979 2.670 1.00 0.00 H new ATOM 1048 N VAL A 68 -4.706 -5.833 4.873 1.00 0.00 N ATOM 1049 CA VAL A 68 -4.962 -7.168 5.400 1.00 0.00 C ATOM 1050 C VAL A 68 -5.023 -8.199 4.278 1.00 0.00 C ATOM 1051 O VAL A 68 -5.609 -7.949 3.225 1.00 0.00 O ATOM 1052 CB VAL A 68 -6.279 -7.214 6.196 1.00 0.00 C ATOM 1053 CG1 VAL A 68 -6.533 -8.616 6.729 1.00 0.00 C ATOM 1054 CG2 VAL A 68 -6.250 -6.200 7.332 1.00 0.00 C ATOM 0 H VAL A 68 -5.537 -5.247 4.787 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.134 -7.409 6.067 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.098 -6.953 5.526 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.468 -8.629 7.289 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.599 -9.316 5.896 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.714 -8.910 7.385 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.188 -6.246 7.885 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.422 -6.429 8.003 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.118 -5.198 6.922 1.00 0.00 H new ATOM 1064 N GLU A 69 -4.415 -9.358 4.513 1.00 0.00 N ATOM 1065 CA GLU A 69 -4.402 -10.426 3.521 1.00 0.00 C ATOM 1066 C GLU A 69 -4.848 -11.749 4.139 1.00 0.00 C ATOM 1067 O GLU A 69 -4.085 -12.404 4.849 1.00 0.00 O ATOM 1068 CB GLU A 69 -3.003 -10.577 2.921 1.00 0.00 C ATOM 1069 CG GLU A 69 -3.005 -11.077 1.486 1.00 0.00 C ATOM 1070 CD GLU A 69 -1.707 -11.760 1.103 1.00 0.00 C ATOM 1071 OE1 GLU A 69 -0.751 -11.049 0.730 1.00 0.00 O ATOM 1072 OE2 GLU A 69 -1.647 -13.006 1.177 1.00 0.00 O ATOM 0 H GLU A 69 -3.926 -9.581 5.380 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.103 -10.160 2.729 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.495 -9.614 2.960 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.426 -11.267 3.536 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.832 -11.774 1.350 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.182 -10.238 0.813 1.00 0.00 H new ATOM 1079 N LYS A 70 -6.089 -12.133 3.866 1.00 0.00 N ATOM 1080 CA LYS A 70 -6.639 -13.377 4.392 1.00 0.00 C ATOM 1081 C LYS A 70 -7.295 -14.196 3.285 1.00 0.00 C ATOM 1082 O LYS A 70 -7.808 -13.642 2.313 1.00 0.00 O ATOM 1083 CB LYS A 70 -7.659 -13.081 5.494 1.00 0.00 C ATOM 1084 CG LYS A 70 -7.792 -14.197 6.517 1.00 0.00 C ATOM 1085 CD LYS A 70 -8.818 -13.856 7.584 1.00 0.00 C ATOM 1086 CE LYS A 70 -10.203 -13.668 6.984 1.00 0.00 C ATOM 1087 NZ LYS A 70 -11.235 -13.435 8.033 1.00 0.00 N ATOM 0 H LYS A 70 -6.734 -11.600 3.283 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.818 -13.959 4.810 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.372 -12.163 6.006 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.632 -12.900 5.038 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.081 -15.120 6.014 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.825 -14.379 6.986 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.848 -14.651 8.329 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.518 -12.945 8.102 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.189 -12.824 6.295 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.469 -14.550 6.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.165 -13.312 7.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.267 -14.252 8.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.995 -12.579 8.572 1.00 0.00 H new ATOM 1101 N ASP A 71 -7.274 -15.514 3.439 1.00 0.00 N ATOM 1102 CA ASP A 71 -7.870 -16.409 2.453 1.00 0.00 C ATOM 1103 C ASP A 71 -7.239 -16.200 1.080 1.00 0.00 C ATOM 1104 O ASP A 71 -7.903 -16.335 0.053 1.00 0.00 O ATOM 1105 CB ASP A 71 -9.380 -16.182 2.373 1.00 0.00 C ATOM 1106 CG ASP A 71 -10.140 -16.975 3.418 1.00 0.00 C ATOM 1107 OD1 ASP A 71 -10.223 -18.213 3.279 1.00 0.00 O ATOM 1108 OD2 ASP A 71 -10.652 -16.357 4.376 1.00 0.00 O ATOM 0 H ASP A 71 -6.851 -15.988 4.237 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.681 -17.435 2.769 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -9.592 -15.121 2.501 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -9.734 -16.461 1.381 1.00 0.00 H new ATOM 1113 N ASN A 72 -5.950 -15.871 1.070 1.00 0.00 N ATOM 1114 CA ASN A 72 -5.230 -15.642 -0.177 1.00 0.00 C ATOM 1115 C ASN A 72 -5.821 -14.459 -0.938 1.00 0.00 C ATOM 1116 O ASN A 72 -5.737 -14.392 -2.164 1.00 0.00 O ATOM 1117 CB ASN A 72 -5.271 -16.897 -1.051 1.00 0.00 C ATOM 1118 CG ASN A 72 -4.198 -17.900 -0.674 1.00 0.00 C ATOM 1119 OD1 ASN A 72 -4.341 -18.641 0.298 1.00 0.00 O ATOM 1120 ND2 ASN A 72 -3.116 -17.927 -1.444 1.00 0.00 N ATOM 0 H ASN A 72 -5.384 -15.757 1.911 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.193 -15.411 0.068 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -6.251 -17.367 -0.962 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -5.148 -16.613 -2.096 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -2.361 -18.581 -1.239 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.041 -17.294 -2.240 1.00 0.00 H new ATOM 1127 N TRP A 73 -6.417 -13.527 -0.202 1.00 0.00 N ATOM 1128 CA TRP A 73 -7.021 -12.347 -0.807 1.00 0.00 C ATOM 1129 C TRP A 73 -6.529 -11.074 -0.126 1.00 0.00 C ATOM 1130 O TRP A 73 -5.924 -11.127 0.945 1.00 0.00 O ATOM 1131 CB TRP A 73 -8.546 -12.428 -0.721 1.00 0.00 C ATOM 1132 CG TRP A 73 -9.101 -13.721 -1.236 1.00 0.00 C ATOM 1133 CD1 TRP A 73 -9.917 -14.587 -0.566 1.00 0.00 C ATOM 1134 CD2 TRP A 73 -8.880 -14.295 -2.529 1.00 0.00 C ATOM 1135 NE1 TRP A 73 -10.216 -15.665 -1.364 1.00 0.00 N ATOM 1136 CE2 TRP A 73 -9.592 -15.509 -2.574 1.00 0.00 C ATOM 1137 CE3 TRP A 73 -8.149 -13.902 -3.653 1.00 0.00 C ATOM 1138 CZ2 TRP A 73 -9.594 -16.330 -3.698 1.00 0.00 C ATOM 1139 CZ3 TRP A 73 -8.152 -14.717 -4.768 1.00 0.00 C ATOM 1140 CH2 TRP A 73 -8.871 -15.920 -4.785 1.00 0.00 C ATOM 0 H TRP A 73 -6.494 -13.566 0.814 1.00 0.00 H new ATOM 0 HA TRP A 73 -6.724 -12.315 -1.855 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -8.852 -12.297 0.317 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -8.979 -11.604 -1.287 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.275 -14.445 0.443 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -10.807 -16.453 -1.099 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -7.591 -12.977 -3.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -10.147 -17.258 -3.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -7.590 -14.422 -5.642 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -8.854 -16.535 -5.673 1.00 0.00 H new ATOM 1151 N ILE A 74 -6.791 -9.933 -0.754 1.00 0.00 N ATOM 1152 CA ILE A 74 -6.375 -8.647 -0.207 1.00 0.00 C ATOM 1153 C ILE A 74 -7.581 -7.809 0.203 1.00 0.00 C ATOM 1154 O ILE A 74 -8.597 -7.781 -0.491 1.00 0.00 O ATOM 1155 CB ILE A 74 -5.531 -7.851 -1.220 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -4.064 -8.279 -1.143 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -5.667 -6.357 -0.964 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -3.709 -9.394 -2.102 1.00 0.00 C ATOM 0 H ILE A 74 -7.289 -9.872 -1.642 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.767 -8.859 0.672 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.899 -8.063 -2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.431 -7.416 -1.351 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.841 -8.601 -0.126 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.065 -5.808 -1.688 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -6.712 -6.064 -1.065 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.322 -6.128 0.044 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -2.654 -9.646 -1.993 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.316 -10.272 -1.881 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.900 -9.069 -3.125 1.00 0.00 H new ATOM 1170 N HIS A 75 -7.460 -7.123 1.336 1.00 0.00 N ATOM 1171 CA HIS A 75 -8.539 -6.280 1.838 1.00 0.00 C ATOM 1172 C HIS A 75 -8.042 -5.372 2.958 1.00 0.00 C ATOM 1173 O HIS A 75 -6.940 -5.555 3.476 1.00 0.00 O ATOM 1174 CB HIS A 75 -9.697 -7.144 2.341 1.00 0.00 C ATOM 1175 CG HIS A 75 -9.314 -8.071 3.454 1.00 0.00 C ATOM 1176 ND1 HIS A 75 -9.885 -8.019 4.707 1.00 0.00 N ATOM 1177 CD2 HIS A 75 -8.409 -9.077 3.495 1.00 0.00 C ATOM 1178 CE1 HIS A 75 -9.349 -8.953 5.472 1.00 0.00 C ATOM 1179 NE2 HIS A 75 -8.451 -9.610 4.760 1.00 0.00 N ATOM 0 H HIS A 75 -6.626 -7.135 1.923 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.891 -5.655 1.017 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -10.503 -6.494 2.682 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -10.090 -7.730 1.510 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -7.773 -9.400 2.684 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -9.602 -9.147 6.504 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -7.881 -10.387 5.095 1.00 0.00 H new ATOM 1188 N ILE A 76 -8.861 -4.392 3.326 1.00 0.00 N ATOM 1189 CA ILE A 76 -8.505 -3.455 4.385 1.00 0.00 C ATOM 1190 C ILE A 76 -9.709 -3.135 5.264 1.00 0.00 C ATOM 1191 O ILE A 76 -10.840 -3.058 4.782 1.00 0.00 O ATOM 1192 CB ILE A 76 -7.938 -2.144 3.809 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -8.918 -1.539 2.802 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -6.586 -2.392 3.157 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -8.625 -0.094 2.467 1.00 0.00 C ATOM 0 H ILE A 76 -9.776 -4.226 2.906 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.737 -3.938 4.989 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.800 -1.435 4.626 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.894 -2.128 1.885 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -9.929 -1.613 3.202 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.199 -1.456 2.755 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.890 -2.783 3.899 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -6.699 -3.115 2.349 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.359 0.269 1.748 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.678 0.508 3.374 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.626 -0.015 2.037 1.00 0.00 H new ATOM 1207 N THR A 77 -9.458 -2.945 6.555 1.00 0.00 N ATOM 1208 CA THR A 77 -10.520 -2.631 7.502 1.00 0.00 C ATOM 1209 C THR A 77 -11.719 -3.554 7.310 1.00 0.00 C ATOM 1210 O THR A 77 -12.847 -3.200 7.651 1.00 0.00 O ATOM 1211 CB THR A 77 -10.986 -1.169 7.360 1.00 0.00 C ATOM 1212 OG1 THR A 77 -11.834 -0.816 8.457 1.00 0.00 O ATOM 1213 CG2 THR A 77 -11.731 -0.963 6.049 1.00 0.00 C ATOM 0 H THR A 77 -8.528 -3.003 6.969 1.00 0.00 H new ATOM 0 HA THR A 77 -10.107 -2.778 8.500 1.00 0.00 H new ATOM 0 HB THR A 77 -10.104 -0.528 7.363 1.00 0.00 H new ATOM 0 HG1 THR A 77 -12.457 -1.551 8.639 1.00 0.00 H new ATOM 0 HG21 THR A 77 -12.050 0.076 5.971 1.00 0.00 H new ATOM 0 HG22 THR A 77 -11.072 -1.204 5.215 1.00 0.00 H new ATOM 0 HG23 THR A 77 -12.605 -1.614 6.021 1.00 0.00 H new ATOM 1221 N GLU A 78 -11.465 -4.739 6.762 1.00 0.00 N ATOM 1222 CA GLU A 78 -12.525 -5.712 6.526 1.00 0.00 C ATOM 1223 C GLU A 78 -13.776 -5.033 5.978 1.00 0.00 C ATOM 1224 O GLU A 78 -14.889 -5.305 6.425 1.00 0.00 O ATOM 1225 CB GLU A 78 -12.861 -6.457 7.819 1.00 0.00 C ATOM 1226 CG GLU A 78 -11.825 -7.499 8.209 1.00 0.00 C ATOM 1227 CD GLU A 78 -12.129 -8.154 9.542 1.00 0.00 C ATOM 1228 OE1 GLU A 78 -13.170 -8.837 9.645 1.00 0.00 O ATOM 1229 OE2 GLU A 78 -11.327 -7.983 10.484 1.00 0.00 O ATOM 0 H GLU A 78 -10.536 -5.047 6.474 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.167 -6.427 5.785 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -12.960 -5.735 8.629 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.829 -6.944 7.706 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.776 -8.265 7.435 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -10.842 -7.029 8.255 1.00 0.00 H new ATOM 1236 N ALA A 79 -13.582 -4.146 5.006 1.00 0.00 N ATOM 1237 CA ALA A 79 -14.695 -3.428 4.395 1.00 0.00 C ATOM 1238 C ALA A 79 -14.833 -3.785 2.919 1.00 0.00 C ATOM 1239 O ALA A 79 -15.942 -3.879 2.394 1.00 0.00 O ATOM 1240 CB ALA A 79 -14.509 -1.928 4.563 1.00 0.00 C ATOM 0 H ALA A 79 -12.666 -3.908 4.626 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.612 -3.728 4.901 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -15.346 -1.404 4.103 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -14.467 -1.683 5.624 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.580 -1.620 4.083 1.00 0.00 H new ATOM 1246 N LYS A 80 -13.700 -3.980 2.254 1.00 0.00 N ATOM 1247 CA LYS A 80 -13.693 -4.327 0.838 1.00 0.00 C ATOM 1248 C LYS A 80 -12.416 -5.072 0.465 1.00 0.00 C ATOM 1249 O LYS A 80 -11.317 -4.671 0.847 1.00 0.00 O ATOM 1250 CB LYS A 80 -13.828 -3.065 -0.018 1.00 0.00 C ATOM 1251 CG LYS A 80 -13.655 -3.317 -1.506 1.00 0.00 C ATOM 1252 CD LYS A 80 -14.978 -3.655 -2.171 1.00 0.00 C ATOM 1253 CE LYS A 80 -15.700 -2.403 -2.647 1.00 0.00 C ATOM 1254 NZ LYS A 80 -17.176 -2.593 -2.679 1.00 0.00 N ATOM 0 H LYS A 80 -12.773 -3.904 2.673 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.543 -4.982 0.647 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -14.809 -2.622 0.155 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.087 -2.335 0.307 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -13.225 -2.434 -1.978 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.951 -4.135 -1.658 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -14.802 -4.318 -3.018 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.611 -4.196 -1.468 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.455 -1.570 -1.988 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -15.346 -2.136 -3.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -17.632 -1.718 -3.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -17.412 -3.371 -3.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -17.517 -2.822 -1.724 1.00 0.00 H new ATOM 1268 N LYS A 81 -12.567 -6.159 -0.284 1.00 0.00 N ATOM 1269 CA LYS A 81 -11.427 -6.960 -0.711 1.00 0.00 C ATOM 1270 C LYS A 81 -11.286 -6.940 -2.230 1.00 0.00 C ATOM 1271 O LYS A 81 -12.222 -6.586 -2.946 1.00 0.00 O ATOM 1272 CB LYS A 81 -11.577 -8.402 -0.221 1.00 0.00 C ATOM 1273 CG LYS A 81 -12.647 -9.187 -0.961 1.00 0.00 C ATOM 1274 CD LYS A 81 -14.000 -9.062 -0.281 1.00 0.00 C ATOM 1275 CE LYS A 81 -14.169 -10.100 0.818 1.00 0.00 C ATOM 1276 NZ LYS A 81 -14.357 -11.470 0.263 1.00 0.00 N ATOM 0 H LYS A 81 -13.470 -6.506 -0.608 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.527 -6.527 -0.274 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.621 -8.915 -0.329 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.815 -8.393 0.843 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.720 -8.827 -1.987 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.360 -10.237 -1.012 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.105 -8.063 0.141 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.792 -9.181 -1.020 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.293 -10.088 1.467 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.027 -9.838 1.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.765 -12.088 0.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.999 -11.429 -0.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.438 -11.851 -0.039 1.00 0.00 H new ATOM 1290 N PHE A 82 -10.110 -7.323 -2.715 1.00 0.00 N ATOM 1291 CA PHE A 82 -9.846 -7.350 -4.149 1.00 0.00 C ATOM 1292 C PHE A 82 -9.060 -8.599 -4.536 1.00 0.00 C ATOM 1293 O PHE A 82 -8.464 -9.258 -3.683 1.00 0.00 O ATOM 1294 CB PHE A 82 -9.074 -6.097 -4.571 1.00 0.00 C ATOM 1295 CG PHE A 82 -9.941 -4.880 -4.718 1.00 0.00 C ATOM 1296 CD1 PHE A 82 -10.700 -4.687 -5.861 1.00 0.00 C ATOM 1297 CD2 PHE A 82 -9.997 -3.928 -3.713 1.00 0.00 C ATOM 1298 CE1 PHE A 82 -11.497 -3.568 -6.000 1.00 0.00 C ATOM 1299 CE2 PHE A 82 -10.793 -2.806 -3.846 1.00 0.00 C ATOM 1300 CZ PHE A 82 -11.545 -2.626 -4.990 1.00 0.00 C ATOM 0 H PHE A 82 -9.324 -7.619 -2.136 1.00 0.00 H new ATOM 0 HA PHE A 82 -10.804 -7.371 -4.668 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.297 -5.893 -3.834 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.571 -6.292 -5.518 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.668 -5.421 -6.653 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -9.412 -4.064 -2.815 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -12.082 -3.429 -6.897 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -10.827 -2.071 -3.056 1.00 0.00 H new ATOM 0 HZ PHE A 82 -12.169 -1.751 -5.095 1.00 0.00 H new ATOM 1310 N ASP A 83 -9.065 -8.919 -5.824 1.00 0.00 N ATOM 1311 CA ASP A 83 -8.353 -10.089 -6.325 1.00 0.00 C ATOM 1312 C ASP A 83 -6.903 -10.086 -5.851 1.00 0.00 C ATOM 1313 O ASP A 83 -6.308 -11.142 -5.636 1.00 0.00 O ATOM 1314 CB ASP A 83 -8.403 -10.128 -7.853 1.00 0.00 C ATOM 1315 CG ASP A 83 -7.245 -9.385 -8.490 1.00 0.00 C ATOM 1316 OD1 ASP A 83 -6.897 -8.293 -7.993 1.00 0.00 O ATOM 1317 OD2 ASP A 83 -6.688 -9.894 -9.485 1.00 0.00 O ATOM 0 H ASP A 83 -9.555 -8.384 -6.542 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.844 -10.979 -5.931 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.393 -11.165 -8.187 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.342 -9.692 -8.194 1.00 0.00 H new ATOM 1322 N SER A 84 -6.340 -8.893 -5.691 1.00 0.00 N ATOM 1323 CA SER A 84 -4.958 -8.753 -5.248 1.00 0.00 C ATOM 1324 C SER A 84 -4.686 -7.333 -4.760 1.00 0.00 C ATOM 1325 O SER A 84 -5.579 -6.484 -4.750 1.00 0.00 O ATOM 1326 CB SER A 84 -3.997 -9.105 -6.385 1.00 0.00 C ATOM 1327 OG SER A 84 -3.888 -8.039 -7.312 1.00 0.00 O ATOM 0 H SER A 84 -6.820 -8.009 -5.862 1.00 0.00 H new ATOM 0 HA SER A 84 -4.797 -9.442 -4.419 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.014 -9.336 -5.975 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.348 -10.001 -6.897 1.00 0.00 H new ATOM 0 HG SER A 84 -4.761 -7.875 -7.726 1.00 0.00 H new ATOM 1333 N LEU A 85 -3.446 -7.082 -4.354 1.00 0.00 N ATOM 1334 CA LEU A 85 -3.054 -5.765 -3.862 1.00 0.00 C ATOM 1335 C LEU A 85 -2.955 -4.764 -5.009 1.00 0.00 C ATOM 1336 O LEU A 85 -3.093 -3.557 -4.807 1.00 0.00 O ATOM 1337 CB LEU A 85 -1.715 -5.851 -3.128 1.00 0.00 C ATOM 1338 CG LEU A 85 -1.041 -4.518 -2.802 1.00 0.00 C ATOM 1339 CD1 LEU A 85 -1.754 -3.826 -1.651 1.00 0.00 C ATOM 1340 CD2 LEU A 85 0.429 -4.730 -2.471 1.00 0.00 C ATOM 0 H LEU A 85 -2.695 -7.772 -4.356 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.820 -5.420 -3.168 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.869 -6.395 -2.196 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.029 -6.444 -3.733 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.106 -3.876 -3.681 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.260 -2.879 -1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.792 -3.639 -1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.722 -4.463 -0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.892 -3.770 -2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.516 -5.390 -1.608 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.933 -5.181 -3.326 1.00 0.00 H new ATOM 1352 N LEU A 86 -2.716 -5.273 -6.212 1.00 0.00 N ATOM 1353 CA LEU A 86 -2.600 -4.424 -7.393 1.00 0.00 C ATOM 1354 C LEU A 86 -3.948 -3.808 -7.755 1.00 0.00 C ATOM 1355 O LEU A 86 -4.060 -2.595 -7.929 1.00 0.00 O ATOM 1356 CB LEU A 86 -2.061 -5.231 -8.576 1.00 0.00 C ATOM 1357 CG LEU A 86 -1.846 -4.455 -9.875 1.00 0.00 C ATOM 1358 CD1 LEU A 86 -0.953 -3.247 -9.636 1.00 0.00 C ATOM 1359 CD2 LEU A 86 -1.248 -5.359 -10.944 1.00 0.00 C ATOM 0 H LEU A 86 -2.599 -6.269 -6.396 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.903 -3.618 -7.163 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.112 -5.679 -8.282 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.751 -6.050 -8.776 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.815 -4.100 -10.227 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.812 -2.708 -10.573 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.421 -2.588 -8.905 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.015 -3.579 -9.259 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.102 -4.790 -11.862 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.288 -5.744 -10.599 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.925 -6.191 -11.137 1.00 0.00 H new ATOM 1371 N GLU A 87 -4.968 -4.653 -7.866 1.00 0.00 N ATOM 1372 CA GLU A 87 -6.309 -4.191 -8.206 1.00 0.00 C ATOM 1373 C GLU A 87 -6.808 -3.172 -7.185 1.00 0.00 C ATOM 1374 O GLU A 87 -7.518 -2.227 -7.530 1.00 0.00 O ATOM 1375 CB GLU A 87 -7.277 -5.373 -8.278 1.00 0.00 C ATOM 1376 CG GLU A 87 -7.379 -5.992 -9.663 1.00 0.00 C ATOM 1377 CD GLU A 87 -8.323 -5.232 -10.573 1.00 0.00 C ATOM 1378 OE1 GLU A 87 -8.521 -4.020 -10.346 1.00 0.00 O ATOM 1379 OE2 GLU A 87 -8.864 -5.850 -11.515 1.00 0.00 O ATOM 0 H GLU A 87 -4.892 -5.660 -7.726 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.263 -3.709 -9.183 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.957 -6.138 -7.570 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.267 -5.041 -7.964 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.389 -6.023 -10.117 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.720 -7.023 -9.572 1.00 0.00 H new ATOM 1386 N LEU A 88 -6.433 -3.373 -5.926 1.00 0.00 N ATOM 1387 CA LEU A 88 -6.843 -2.473 -4.854 1.00 0.00 C ATOM 1388 C LEU A 88 -6.335 -1.057 -5.107 1.00 0.00 C ATOM 1389 O LEU A 88 -7.053 -0.081 -4.886 1.00 0.00 O ATOM 1390 CB LEU A 88 -6.321 -2.981 -3.508 1.00 0.00 C ATOM 1391 CG LEU A 88 -6.525 -2.048 -2.313 1.00 0.00 C ATOM 1392 CD1 LEU A 88 -6.679 -2.850 -1.030 1.00 0.00 C ATOM 1393 CD2 LEU A 88 -5.365 -1.070 -2.197 1.00 0.00 C ATOM 0 H LEU A 88 -5.846 -4.150 -5.623 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.932 -2.449 -4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.807 -3.932 -3.288 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.255 -3.183 -3.608 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.440 -1.478 -2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.823 -2.170 -0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.543 -3.510 -1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.782 -3.446 -0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.526 -0.414 -1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.436 -1.623 -2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.301 -0.472 -3.106 1.00 0.00 H new ATOM 1405 N VAL A 89 -5.095 -0.953 -5.573 1.00 0.00 N ATOM 1406 CA VAL A 89 -4.493 0.343 -5.860 1.00 0.00 C ATOM 1407 C VAL A 89 -5.126 0.984 -7.089 1.00 0.00 C ATOM 1408 O VAL A 89 -5.395 2.185 -7.107 1.00 0.00 O ATOM 1409 CB VAL A 89 -2.974 0.219 -6.085 1.00 0.00 C ATOM 1410 CG1 VAL A 89 -2.372 1.573 -6.429 1.00 0.00 C ATOM 1411 CG2 VAL A 89 -2.301 -0.376 -4.856 1.00 0.00 C ATOM 0 H VAL A 89 -4.488 -1.751 -5.760 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.674 0.975 -4.990 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.803 -0.452 -6.927 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.299 1.465 -6.584 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.834 1.956 -7.339 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.552 2.270 -5.610 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.228 -0.457 -5.032 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.480 0.268 -3.995 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.712 -1.366 -4.660 1.00 0.00 H new ATOM 1421 N GLU A 90 -5.363 0.173 -8.117 1.00 0.00 N ATOM 1422 CA GLU A 90 -5.965 0.662 -9.351 1.00 0.00 C ATOM 1423 C GLU A 90 -7.338 1.272 -9.083 1.00 0.00 C ATOM 1424 O GLU A 90 -7.798 2.144 -9.821 1.00 0.00 O ATOM 1425 CB GLU A 90 -6.089 -0.473 -10.369 1.00 0.00 C ATOM 1426 CG GLU A 90 -4.756 -0.925 -10.943 1.00 0.00 C ATOM 1427 CD GLU A 90 -4.914 -1.932 -12.065 1.00 0.00 C ATOM 1428 OE1 GLU A 90 -5.013 -3.141 -11.769 1.00 0.00 O ATOM 1429 OE2 GLU A 90 -4.941 -1.510 -13.241 1.00 0.00 O ATOM 0 H GLU A 90 -5.147 -0.824 -8.119 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.316 1.437 -9.759 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.578 -1.324 -9.894 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.735 -0.149 -11.185 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.211 -0.057 -11.314 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.153 -1.364 -10.148 1.00 0.00 H new ATOM 1436 N TYR A 91 -7.989 0.805 -8.024 1.00 0.00 N ATOM 1437 CA TYR A 91 -9.311 1.300 -7.658 1.00 0.00 C ATOM 1438 C TYR A 91 -9.220 2.693 -7.043 1.00 0.00 C ATOM 1439 O TYR A 91 -10.053 3.559 -7.312 1.00 0.00 O ATOM 1440 CB TYR A 91 -9.986 0.340 -6.676 1.00 0.00 C ATOM 1441 CG TYR A 91 -11.475 0.560 -6.541 1.00 0.00 C ATOM 1442 CD1 TYR A 91 -12.339 0.265 -7.589 1.00 0.00 C ATOM 1443 CD2 TYR A 91 -12.019 1.063 -5.366 1.00 0.00 C ATOM 1444 CE1 TYR A 91 -13.700 0.465 -7.471 1.00 0.00 C ATOM 1445 CE2 TYR A 91 -13.380 1.264 -5.238 1.00 0.00 C ATOM 1446 CZ TYR A 91 -14.216 0.965 -6.293 1.00 0.00 C ATOM 1447 OH TYR A 91 -15.572 1.165 -6.170 1.00 0.00 O ATOM 0 H TYR A 91 -7.623 0.084 -7.403 1.00 0.00 H new ATOM 0 HA TYR A 91 -9.911 1.361 -8.566 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.807 -0.685 -7.001 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.521 0.449 -5.696 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.939 -0.128 -8.512 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -11.367 1.301 -4.538 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -14.357 0.231 -8.296 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -13.787 1.653 -4.316 1.00 0.00 H new ATOM 0 HH TYR A 91 -15.771 1.520 -5.279 1.00 0.00 H new ATOM 1457 N TYR A 92 -8.201 2.903 -6.217 1.00 0.00 N ATOM 1458 CA TYR A 92 -8.000 4.189 -5.561 1.00 0.00 C ATOM 1459 C TYR A 92 -7.313 5.177 -6.499 1.00 0.00 C ATOM 1460 O TYR A 92 -7.445 6.391 -6.345 1.00 0.00 O ATOM 1461 CB TYR A 92 -7.169 4.013 -4.289 1.00 0.00 C ATOM 1462 CG TYR A 92 -7.796 3.076 -3.281 1.00 0.00 C ATOM 1463 CD1 TYR A 92 -9.138 3.188 -2.940 1.00 0.00 C ATOM 1464 CD2 TYR A 92 -7.045 2.079 -2.671 1.00 0.00 C ATOM 1465 CE1 TYR A 92 -9.713 2.335 -2.019 1.00 0.00 C ATOM 1466 CE2 TYR A 92 -7.613 1.220 -1.749 1.00 0.00 C ATOM 1467 CZ TYR A 92 -8.948 1.353 -1.426 1.00 0.00 C ATOM 1468 OH TYR A 92 -9.518 0.499 -0.510 1.00 0.00 O ATOM 0 H TYR A 92 -7.501 2.198 -5.986 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.978 4.589 -5.294 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.183 3.636 -4.559 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.021 4.988 -3.824 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -9.741 3.955 -3.403 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -6.000 1.973 -2.921 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.758 2.437 -1.764 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -7.016 0.450 -1.284 1.00 0.00 H new ATOM 0 HH TYR A 92 -8.928 -0.270 -0.368 1.00 0.00 H new ATOM 1478 N GLN A 93 -6.578 4.646 -7.472 1.00 0.00 N ATOM 1479 CA GLN A 93 -5.869 5.481 -8.435 1.00 0.00 C ATOM 1480 C GLN A 93 -6.830 6.427 -9.146 1.00 0.00 C ATOM 1481 O GLN A 93 -6.421 7.462 -9.673 1.00 0.00 O ATOM 1482 CB GLN A 93 -5.142 4.608 -9.460 1.00 0.00 C ATOM 1483 CG GLN A 93 -3.900 3.928 -8.908 1.00 0.00 C ATOM 1484 CD GLN A 93 -2.648 4.761 -9.093 1.00 0.00 C ATOM 1485 OE1 GLN A 93 -2.649 5.967 -8.845 1.00 0.00 O ATOM 1486 NE2 GLN A 93 -1.570 4.121 -9.530 1.00 0.00 N ATOM 0 H GLN A 93 -6.458 3.643 -7.614 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.137 6.078 -7.891 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.829 3.847 -9.829 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -4.860 5.224 -10.314 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.043 3.725 -7.847 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -3.768 2.965 -9.402 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.614 3.120 -9.723 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.698 4.630 -9.673 1.00 0.00 H new ATOM 1495 N CYS A 94 -8.109 6.067 -9.157 1.00 0.00 N ATOM 1496 CA CYS A 94 -9.129 6.884 -9.804 1.00 0.00 C ATOM 1497 C CYS A 94 -10.230 7.262 -8.818 1.00 0.00 C ATOM 1498 O CYS A 94 -10.873 8.303 -8.959 1.00 0.00 O ATOM 1499 CB CYS A 94 -9.729 6.137 -10.997 1.00 0.00 C ATOM 1500 SG CYS A 94 -8.864 6.423 -12.558 1.00 0.00 S ATOM 0 H CYS A 94 -8.464 5.214 -8.725 1.00 0.00 H new ATOM 0 HA CYS A 94 -8.655 7.799 -10.159 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -9.725 5.068 -10.782 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -10.771 6.435 -11.112 1.00 0.00 H new ATOM 0 HG CYS A 94 -9.444 5.748 -13.505 1.00 0.00 H new ATOM 1506 N HIS A 95 -10.443 6.409 -7.822 1.00 0.00 N ATOM 1507 CA HIS A 95 -11.467 6.653 -6.813 1.00 0.00 C ATOM 1508 C HIS A 95 -10.836 7.067 -5.487 1.00 0.00 C ATOM 1509 O HIS A 95 -9.734 6.636 -5.151 1.00 0.00 O ATOM 1510 CB HIS A 95 -12.325 5.403 -6.614 1.00 0.00 C ATOM 1511 CG HIS A 95 -12.488 4.583 -7.857 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -12.465 3.205 -7.859 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -12.679 4.957 -9.144 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -12.633 2.766 -9.094 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -12.766 3.809 -9.893 1.00 0.00 N ATOM 0 H HIS A 95 -9.920 5.543 -7.692 1.00 0.00 H new ATOM 0 HA HIS A 95 -12.100 7.468 -7.164 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -11.876 4.784 -5.837 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -13.310 5.702 -6.254 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -12.338 2.616 -7.036 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -12.750 5.970 -9.513 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -12.657 1.730 -9.398 1.00 0.00 H new ATOM 1524 N SER A 96 -11.542 7.909 -4.738 1.00 0.00 N ATOM 1525 CA SER A 96 -11.049 8.385 -3.452 1.00 0.00 C ATOM 1526 C SER A 96 -11.110 7.280 -2.403 1.00 0.00 C ATOM 1527 O SER A 96 -11.973 6.403 -2.458 1.00 0.00 O ATOM 1528 CB SER A 96 -11.865 9.592 -2.985 1.00 0.00 C ATOM 1529 OG SER A 96 -11.310 10.160 -1.810 1.00 0.00 O ATOM 0 H SER A 96 -12.457 8.275 -5.000 1.00 0.00 H new ATOM 0 HA SER A 96 -10.009 8.684 -3.578 1.00 0.00 H new ATOM 0 HB2 SER A 96 -11.896 10.342 -3.776 1.00 0.00 H new ATOM 0 HB3 SER A 96 -12.894 9.287 -2.794 1.00 0.00 H new ATOM 0 HG SER A 96 -11.747 11.017 -1.623 1.00 0.00 H new ATOM 1535 N LEU A 97 -10.188 7.327 -1.447 1.00 0.00 N ATOM 1536 CA LEU A 97 -10.135 6.330 -0.385 1.00 0.00 C ATOM 1537 C LEU A 97 -11.302 6.503 0.583 1.00 0.00 C ATOM 1538 O LEU A 97 -11.434 5.758 1.554 1.00 0.00 O ATOM 1539 CB LEU A 97 -8.811 6.433 0.373 1.00 0.00 C ATOM 1540 CG LEU A 97 -7.605 5.764 -0.288 1.00 0.00 C ATOM 1541 CD1 LEU A 97 -6.322 6.493 0.079 1.00 0.00 C ATOM 1542 CD2 LEU A 97 -7.521 4.299 0.113 1.00 0.00 C ATOM 0 H LEU A 97 -9.467 8.046 -1.386 1.00 0.00 H new ATOM 0 HA LEU A 97 -10.209 5.344 -0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.581 7.488 0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -8.947 5.996 1.362 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.732 5.817 -1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.475 6.003 -0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.382 7.527 -0.260 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.188 6.472 1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.657 3.839 -0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.418 4.223 1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.428 3.783 -0.202 1.00 0.00 H new ATOM 1554 N LYS A 98 -12.150 7.489 0.309 1.00 0.00 N ATOM 1555 CA LYS A 98 -13.308 7.759 1.152 1.00 0.00 C ATOM 1556 C LYS A 98 -14.184 6.517 1.287 1.00 0.00 C ATOM 1557 O LYS A 98 -14.805 6.295 2.326 1.00 0.00 O ATOM 1558 CB LYS A 98 -14.129 8.913 0.572 1.00 0.00 C ATOM 1559 CG LYS A 98 -15.126 8.478 -0.487 1.00 0.00 C ATOM 1560 CD LYS A 98 -15.865 9.667 -1.078 1.00 0.00 C ATOM 1561 CE LYS A 98 -16.808 9.240 -2.192 1.00 0.00 C ATOM 1562 NZ LYS A 98 -17.020 10.328 -3.187 1.00 0.00 N ATOM 0 H LYS A 98 -12.056 8.115 -0.491 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.948 8.038 2.142 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -14.665 9.409 1.381 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.451 9.649 0.140 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -14.605 7.941 -1.280 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -15.843 7.783 -0.050 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.431 10.171 -0.294 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.145 10.388 -1.466 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -16.402 8.362 -2.695 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -17.767 8.947 -1.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -17.668 9.998 -3.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -17.431 11.157 -2.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -16.109 10.590 -3.614 1.00 0.00 H new ATOM 1576 N GLU A 99 -14.227 5.711 0.231 1.00 0.00 N ATOM 1577 CA GLU A 99 -15.026 4.491 0.233 1.00 0.00 C ATOM 1578 C GLU A 99 -14.821 3.709 1.527 1.00 0.00 C ATOM 1579 O GLU A 99 -15.774 3.198 2.115 1.00 0.00 O ATOM 1580 CB GLU A 99 -14.664 3.615 -0.967 1.00 0.00 C ATOM 1581 CG GLU A 99 -14.869 4.304 -2.307 1.00 0.00 C ATOM 1582 CD GLU A 99 -16.334 4.513 -2.637 1.00 0.00 C ATOM 1583 OE1 GLU A 99 -16.981 3.551 -3.101 1.00 0.00 O ATOM 1584 OE2 GLU A 99 -16.833 5.639 -2.431 1.00 0.00 O ATOM 0 H GLU A 99 -13.718 5.881 -0.637 1.00 0.00 H new ATOM 0 HA GLU A 99 -16.076 4.775 0.162 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -13.622 3.308 -0.881 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -15.267 2.707 -0.939 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -14.361 5.269 -2.297 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -14.405 3.708 -3.093 1.00 0.00 H new ATOM 1591 N SER A 100 -13.568 3.619 1.965 1.00 0.00 N ATOM 1592 CA SER A 100 -13.236 2.896 3.187 1.00 0.00 C ATOM 1593 C SER A 100 -13.227 3.835 4.389 1.00 0.00 C ATOM 1594 O SER A 100 -13.913 3.597 5.383 1.00 0.00 O ATOM 1595 CB SER A 100 -11.873 2.214 3.047 1.00 0.00 C ATOM 1596 OG SER A 100 -11.977 1.017 2.295 1.00 0.00 O ATOM 0 H SER A 100 -12.767 4.038 1.492 1.00 0.00 H new ATOM 0 HA SER A 100 -14.000 2.135 3.349 1.00 0.00 H new ATOM 0 HB2 SER A 100 -11.171 2.892 2.562 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.470 1.993 4.035 1.00 0.00 H new ATOM 0 HG SER A 100 -11.406 0.329 2.695 1.00 0.00 H new ATOM 1602 N PHE A 101 -12.441 4.903 4.290 1.00 0.00 N ATOM 1603 CA PHE A 101 -12.340 5.880 5.370 1.00 0.00 C ATOM 1604 C PHE A 101 -12.994 7.199 4.972 1.00 0.00 C ATOM 1605 O PHE A 101 -12.399 8.012 4.264 1.00 0.00 O ATOM 1606 CB PHE A 101 -10.874 6.114 5.737 1.00 0.00 C ATOM 1607 CG PHE A 101 -10.140 4.857 6.110 1.00 0.00 C ATOM 1608 CD1 PHE A 101 -10.352 4.255 7.341 1.00 0.00 C ATOM 1609 CD2 PHE A 101 -9.241 4.277 5.230 1.00 0.00 C ATOM 1610 CE1 PHE A 101 -9.678 3.099 7.686 1.00 0.00 C ATOM 1611 CE2 PHE A 101 -8.565 3.120 5.571 1.00 0.00 C ATOM 1612 CZ PHE A 101 -8.785 2.529 6.800 1.00 0.00 C ATOM 0 H PHE A 101 -11.866 5.114 3.475 1.00 0.00 H new ATOM 0 HA PHE A 101 -12.866 5.482 6.238 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -10.368 6.584 4.894 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.824 6.815 6.570 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -11.051 4.694 8.037 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -9.066 4.734 4.267 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -9.850 2.641 8.649 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -7.865 2.679 4.877 1.00 0.00 H new ATOM 0 HZ PHE A 101 -8.260 1.624 7.067 1.00 0.00 H new ATOM 1622 N LYS A 102 -14.223 7.406 5.432 1.00 0.00 N ATOM 1623 CA LYS A 102 -14.959 8.627 5.126 1.00 0.00 C ATOM 1624 C LYS A 102 -14.182 9.859 5.577 1.00 0.00 C ATOM 1625 O LYS A 102 -14.453 10.973 5.130 1.00 0.00 O ATOM 1626 CB LYS A 102 -16.333 8.601 5.802 1.00 0.00 C ATOM 1627 CG LYS A 102 -16.277 8.838 7.301 1.00 0.00 C ATOM 1628 CD LYS A 102 -15.862 7.582 8.049 1.00 0.00 C ATOM 1629 CE LYS A 102 -16.130 7.707 9.541 1.00 0.00 C ATOM 1630 NZ LYS A 102 -15.751 6.471 10.278 1.00 0.00 N ATOM 0 H LYS A 102 -14.731 6.744 6.018 1.00 0.00 H new ATOM 0 HA LYS A 102 -15.093 8.680 4.046 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -16.968 9.361 5.346 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -16.804 7.636 5.612 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -15.572 9.641 7.517 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -17.254 9.167 7.655 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -16.405 6.725 7.651 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -14.801 7.392 7.883 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -15.572 8.554 9.941 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -17.187 7.917 9.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -15.590 6.700 11.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -16.518 5.772 10.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -14.880 6.076 9.869 1.00 0.00 H new ATOM 1644 N GLN A 103 -13.215 9.651 6.464 1.00 0.00 N ATOM 1645 CA GLN A 103 -12.398 10.745 6.976 1.00 0.00 C ATOM 1646 C GLN A 103 -11.226 11.032 6.042 1.00 0.00 C ATOM 1647 O GLN A 103 -10.620 12.103 6.100 1.00 0.00 O ATOM 1648 CB GLN A 103 -11.879 10.413 8.376 1.00 0.00 C ATOM 1649 CG GLN A 103 -12.982 10.097 9.374 1.00 0.00 C ATOM 1650 CD GLN A 103 -12.518 9.175 10.483 1.00 0.00 C ATOM 1651 OE1 GLN A 103 -11.667 9.541 11.295 1.00 0.00 O ATOM 1652 NE2 GLN A 103 -13.076 7.971 10.525 1.00 0.00 N ATOM 0 H GLN A 103 -12.978 8.734 6.843 1.00 0.00 H new ATOM 0 HA GLN A 103 -13.024 11.636 7.031 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -11.203 9.560 8.311 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -11.295 11.255 8.747 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -13.350 11.026 9.809 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -13.820 9.636 8.850 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -13.777 7.709 9.832 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -12.803 7.308 11.250 1.00 0.00 H new ATOM 1661 N LEU A 104 -10.914 10.069 5.181 1.00 0.00 N ATOM 1662 CA LEU A 104 -9.814 10.218 4.234 1.00 0.00 C ATOM 1663 C LEU A 104 -10.336 10.307 2.803 1.00 0.00 C ATOM 1664 O LEU A 104 -10.820 9.321 2.246 1.00 0.00 O ATOM 1665 CB LEU A 104 -8.842 9.044 4.363 1.00 0.00 C ATOM 1666 CG LEU A 104 -7.388 9.332 3.985 1.00 0.00 C ATOM 1667 CD1 LEU A 104 -6.632 9.906 5.174 1.00 0.00 C ATOM 1668 CD2 LEU A 104 -6.708 8.069 3.478 1.00 0.00 C ATOM 0 H LEU A 104 -11.406 9.178 5.119 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.288 11.144 4.467 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.865 8.690 5.394 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.204 8.228 3.738 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.380 10.071 3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.599 10.105 4.887 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.105 10.835 5.492 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.649 9.190 5.996 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.675 8.293 3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.726 7.308 4.258 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.235 7.700 2.598 1.00 0.00 H new ATOM 1680 N ASP A 105 -10.232 11.493 2.214 1.00 0.00 N ATOM 1681 CA ASP A 105 -10.691 11.710 0.847 1.00 0.00 C ATOM 1682 C ASP A 105 -9.535 12.133 -0.054 1.00 0.00 C ATOM 1683 O ASP A 105 -9.259 13.322 -0.213 1.00 0.00 O ATOM 1684 CB ASP A 105 -11.791 12.772 0.818 1.00 0.00 C ATOM 1685 CG ASP A 105 -13.051 12.320 1.529 1.00 0.00 C ATOM 1686 OD1 ASP A 105 -13.155 12.546 2.753 1.00 0.00 O ATOM 1687 OD2 ASP A 105 -13.934 11.741 0.862 1.00 0.00 O ATOM 0 H ASP A 105 -9.834 12.319 2.662 1.00 0.00 H new ATOM 0 HA ASP A 105 -11.095 10.769 0.472 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -11.422 13.686 1.284 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.029 13.016 -0.217 1.00 0.00 H new ATOM 1692 N THR A 106 -8.858 11.150 -0.640 1.00 0.00 N ATOM 1693 CA THR A 106 -7.730 11.420 -1.522 1.00 0.00 C ATOM 1694 C THR A 106 -7.565 10.313 -2.558 1.00 0.00 C ATOM 1695 O THR A 106 -8.029 9.190 -2.361 1.00 0.00 O ATOM 1696 CB THR A 106 -6.418 11.564 -0.729 1.00 0.00 C ATOM 1697 OG1 THR A 106 -5.372 12.032 -1.590 1.00 0.00 O ATOM 1698 CG2 THR A 106 -6.012 10.237 -0.107 1.00 0.00 C ATOM 0 H THR A 106 -9.072 10.160 -0.519 1.00 0.00 H new ATOM 0 HA THR A 106 -7.944 12.361 -2.029 1.00 0.00 H new ATOM 0 HB THR A 106 -6.582 12.287 0.070 1.00 0.00 H new ATOM 0 HG1 THR A 106 -4.542 12.122 -1.077 1.00 0.00 H new ATOM 0 HG21 THR A 106 -5.082 10.364 0.448 1.00 0.00 H new ATOM 0 HG22 THR A 106 -6.796 9.898 0.571 1.00 0.00 H new ATOM 0 HG23 THR A 106 -5.867 9.496 -0.893 1.00 0.00 H new ATOM 1706 N THR A 107 -6.900 10.637 -3.663 1.00 0.00 N ATOM 1707 CA THR A 107 -6.674 9.671 -4.730 1.00 0.00 C ATOM 1708 C THR A 107 -5.201 9.616 -5.118 1.00 0.00 C ATOM 1709 O THR A 107 -4.566 10.648 -5.339 1.00 0.00 O ATOM 1710 CB THR A 107 -7.510 10.007 -5.979 1.00 0.00 C ATOM 1711 OG1 THR A 107 -7.320 11.380 -6.341 1.00 0.00 O ATOM 1712 CG2 THR A 107 -8.987 9.744 -5.729 1.00 0.00 C ATOM 0 H THR A 107 -6.509 11.562 -3.842 1.00 0.00 H new ATOM 0 HA THR A 107 -6.983 8.699 -4.347 1.00 0.00 H new ATOM 0 HB THR A 107 -7.176 9.366 -6.795 1.00 0.00 H new ATOM 0 HG1 THR A 107 -6.367 11.602 -6.293 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.557 9.989 -6.625 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.133 8.692 -5.482 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.331 10.362 -4.900 1.00 0.00 H new ATOM 1720 N LEU A 108 -4.661 8.404 -5.202 1.00 0.00 N ATOM 1721 CA LEU A 108 -3.262 8.213 -5.565 1.00 0.00 C ATOM 1722 C LEU A 108 -2.893 9.064 -6.778 1.00 0.00 C ATOM 1723 O LEU A 108 -3.034 8.630 -7.920 1.00 0.00 O ATOM 1724 CB LEU A 108 -2.987 6.738 -5.862 1.00 0.00 C ATOM 1725 CG LEU A 108 -3.599 5.733 -4.885 1.00 0.00 C ATOM 1726 CD1 LEU A 108 -3.002 4.351 -5.098 1.00 0.00 C ATOM 1727 CD2 LEU A 108 -3.390 6.190 -3.449 1.00 0.00 C ATOM 0 H LEU A 108 -5.172 7.539 -5.023 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.648 8.528 -4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.357 6.514 -6.862 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.908 6.586 -5.880 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.671 5.677 -5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.449 3.649 -4.394 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.203 4.021 -6.117 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.925 4.391 -4.936 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.832 5.463 -2.768 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.322 6.275 -3.246 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.866 7.160 -3.303 1.00 0.00 H new ATOM 1739 N LYS A 109 -2.416 10.277 -6.519 1.00 0.00 N ATOM 1740 CA LYS A 109 -2.023 11.189 -7.587 1.00 0.00 C ATOM 1741 C LYS A 109 -0.601 10.897 -8.055 1.00 0.00 C ATOM 1742 O LYS A 109 -0.390 10.413 -9.167 1.00 0.00 O ATOM 1743 CB LYS A 109 -2.127 12.639 -7.111 1.00 0.00 C ATOM 1744 CG LYS A 109 -3.487 13.267 -7.365 1.00 0.00 C ATOM 1745 CD LYS A 109 -3.667 14.550 -6.571 1.00 0.00 C ATOM 1746 CE LYS A 109 -4.275 14.279 -5.204 1.00 0.00 C ATOM 1747 NZ LYS A 109 -5.763 14.272 -5.251 1.00 0.00 N ATOM 0 H LYS A 109 -2.292 10.651 -5.578 1.00 0.00 H new ATOM 0 HA LYS A 109 -2.701 11.039 -8.427 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.912 12.678 -6.043 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.363 13.233 -7.612 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -3.598 13.478 -8.429 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -4.271 12.559 -7.097 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -2.702 15.043 -6.450 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -4.308 15.236 -7.126 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -3.919 13.318 -4.832 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -3.937 15.039 -4.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -6.138 13.968 -4.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -6.108 15.229 -5.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -6.084 13.614 -5.990 1.00 0.00 H new ATOM 1761 N TYR A 110 0.371 11.193 -7.199 1.00 0.00 N ATOM 1762 CA TYR A 110 1.773 10.963 -7.526 1.00 0.00 C ATOM 1763 C TYR A 110 2.386 9.921 -6.595 1.00 0.00 C ATOM 1764 O TYR A 110 2.011 9.796 -5.429 1.00 0.00 O ATOM 1765 CB TYR A 110 2.561 12.271 -7.435 1.00 0.00 C ATOM 1766 CG TYR A 110 1.807 13.470 -7.961 1.00 0.00 C ATOM 1767 CD1 TYR A 110 1.841 13.800 -9.310 1.00 0.00 C ATOM 1768 CD2 TYR A 110 1.058 14.274 -7.109 1.00 0.00 C ATOM 1769 CE1 TYR A 110 1.154 14.897 -9.796 1.00 0.00 C ATOM 1770 CE2 TYR A 110 0.365 15.370 -7.586 1.00 0.00 C ATOM 1771 CZ TYR A 110 0.418 15.678 -8.929 1.00 0.00 C ATOM 1772 OH TYR A 110 -0.270 16.769 -9.409 1.00 0.00 O ATOM 0 H TYR A 110 0.214 11.593 -6.274 1.00 0.00 H new ATOM 0 HA TYR A 110 1.824 10.586 -8.547 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.832 12.451 -6.395 1.00 0.00 H new ATOM 0 HB3 TYR A 110 3.491 12.164 -7.993 1.00 0.00 H new ATOM 0 HD1 TYR A 110 2.414 13.189 -9.991 1.00 0.00 H new ATOM 0 HD2 TYR A 110 1.017 14.038 -6.056 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.193 15.141 -10.847 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -0.215 15.982 -6.911 1.00 0.00 H new ATOM 0 HH TYR A 110 -0.738 17.211 -8.670 1.00 0.00 H new ATOM 1782 N PRO A 111 3.352 9.154 -7.122 1.00 0.00 N ATOM 1783 CA PRO A 111 4.039 8.110 -6.357 1.00 0.00 C ATOM 1784 C PRO A 111 4.948 8.685 -5.278 1.00 0.00 C ATOM 1785 O PRO A 111 4.895 9.878 -4.978 1.00 0.00 O ATOM 1786 CB PRO A 111 4.864 7.377 -7.417 1.00 0.00 C ATOM 1787 CG PRO A 111 5.081 8.386 -8.492 1.00 0.00 C ATOM 1788 CD PRO A 111 3.849 9.248 -8.505 1.00 0.00 C ATOM 0 HA PRO A 111 3.338 7.468 -5.824 1.00 0.00 H new ATOM 0 HB2 PRO A 111 5.811 7.024 -7.008 1.00 0.00 H new ATOM 0 HB3 PRO A 111 4.335 6.502 -7.796 1.00 0.00 H new ATOM 0 HG2 PRO A 111 5.972 8.982 -8.294 1.00 0.00 H new ATOM 0 HG3 PRO A 111 5.229 7.902 -9.457 1.00 0.00 H new ATOM 0 HD2 PRO A 111 4.081 10.277 -8.779 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.113 8.886 -9.222 1.00 0.00 H new ATOM 1796 N TYR A 112 5.785 7.831 -4.697 1.00 0.00 N ATOM 1797 CA TYR A 112 6.705 8.255 -3.649 1.00 0.00 C ATOM 1798 C TYR A 112 8.078 8.580 -4.228 1.00 0.00 C ATOM 1799 O TYR A 112 8.271 8.562 -5.444 1.00 0.00 O ATOM 1800 CB TYR A 112 6.834 7.167 -2.582 1.00 0.00 C ATOM 1801 CG TYR A 112 7.958 6.189 -2.847 1.00 0.00 C ATOM 1802 CD1 TYR A 112 7.869 5.264 -3.880 1.00 0.00 C ATOM 1803 CD2 TYR A 112 9.105 6.192 -2.065 1.00 0.00 C ATOM 1804 CE1 TYR A 112 8.893 4.369 -4.125 1.00 0.00 C ATOM 1805 CE2 TYR A 112 10.134 5.301 -2.304 1.00 0.00 C ATOM 1806 CZ TYR A 112 10.023 4.392 -3.334 1.00 0.00 C ATOM 1807 OH TYR A 112 11.045 3.503 -3.575 1.00 0.00 O ATOM 0 H TYR A 112 5.845 6.841 -4.935 1.00 0.00 H new ATOM 0 HA TYR A 112 6.301 9.158 -3.190 1.00 0.00 H new ATOM 0 HB2 TYR A 112 6.995 7.638 -1.612 1.00 0.00 H new ATOM 0 HB3 TYR A 112 5.894 6.619 -2.518 1.00 0.00 H new ATOM 0 HD1 TYR A 112 6.986 5.244 -4.501 1.00 0.00 H new ATOM 0 HD2 TYR A 112 9.195 6.902 -1.256 1.00 0.00 H new ATOM 0 HE1 TYR A 112 8.809 3.655 -4.931 1.00 0.00 H new ATOM 0 HE2 TYR A 112 11.020 5.317 -1.687 1.00 0.00 H new ATOM 0 HH TYR A 112 10.670 2.625 -3.795 1.00 0.00 H new ATOM 1817 N SER A 113 9.030 8.876 -3.349 1.00 0.00 N ATOM 1818 CA SER A 113 10.385 9.208 -3.773 1.00 0.00 C ATOM 1819 C SER A 113 11.081 7.989 -4.373 1.00 0.00 C ATOM 1820 O SER A 113 11.981 7.413 -3.765 1.00 0.00 O ATOM 1821 CB SER A 113 11.196 9.739 -2.588 1.00 0.00 C ATOM 1822 OG SER A 113 12.508 10.095 -2.988 1.00 0.00 O ATOM 0 H SER A 113 8.888 8.893 -2.339 1.00 0.00 H new ATOM 0 HA SER A 113 10.321 9.982 -4.538 1.00 0.00 H new ATOM 0 HB2 SER A 113 10.695 10.607 -2.160 1.00 0.00 H new ATOM 0 HB3 SER A 113 11.244 8.981 -1.807 1.00 0.00 H new ATOM 0 HG SER A 113 13.006 10.433 -2.214 1.00 0.00 H new