USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 753 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 34 SER OG : rot -106:sc= 1.24 USER MOD Set 1.2: A 35 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 18 HIS : no HD1:sc= 0.987 K(o=2.1,f=-3) USER MOD Set 2.2: A 81 TYR OH : rot 51:sc= 1.14 USER MOD Single : A 14 CYS SG : rot 13:sc= -5.91! USER MOD Single : A 22 MET CE :methyl -119:sc= -1.26 (180deg=-3.38!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 157:sc= 1.14 (180deg=0.975) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl -161:sc=-0.00453 (180deg=-0.509) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -14:sc= 0.687! USER MOD Single : A 40 SER OG : rot 180:sc= -0.253 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN :FLIP amide:sc= -0.241 F(o=-0.78!,f=-0.24) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0603 USER MOD Single : A 73 ASN : amide:sc=-0.00257 X(o=-0.0026,f=-0.15) USER MOD Single : A 75 LYS NZ :NH3+ 179:sc= 1.29 (180deg=1.28) USER MOD Single : A 76 CYS SG : rot 77:sc= -2.43! USER MOD Single : A 80 HIS : no HE2:sc= 0.768 K(o=0.77,f=-4.9!) USER MOD Single : A 82 GLN : amide:sc= -1.39 K(o=-1.4,f=-4!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0.126 USER MOD Single : A 87 SER OG : rot 180:sc= 0.11 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0.502 K(o=0.5,f=-9.1!) USER MOD Single : A 104 ASN : amide:sc= -1.51 K(o=-1.5,f=-4.2!) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -148:sc= 1.18 (180deg=-0.0585!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN :FLIP amide:sc= -0.564 F(o=-3.2!,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 97 N GLU A 7 -6.394 14.587 3.883 1.00 0.00 N ATOM 98 CA GLU A 7 -6.562 13.380 4.685 1.00 0.00 C ATOM 99 C GLU A 7 -5.758 12.226 4.104 1.00 0.00 C ATOM 100 O GLU A 7 -5.683 11.156 4.699 1.00 0.00 O ATOM 101 CB GLU A 7 -8.031 12.997 4.762 1.00 0.00 C ATOM 102 CG GLU A 7 -8.774 13.260 3.473 1.00 0.00 C ATOM 103 CD GLU A 7 -9.665 14.476 3.556 1.00 0.00 C ATOM 104 OE1 GLU A 7 -10.738 14.392 4.193 1.00 0.00 O ATOM 105 OE2 GLU A 7 -9.285 15.523 2.999 1.00 0.00 O ATOM 0 HA GLU A 7 -6.194 13.589 5.689 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.113 11.940 5.014 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.505 13.555 5.569 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.056 13.395 2.664 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.378 12.388 3.221 1.00 0.00 H new ATOM 112 N PHE A 8 -5.123 12.468 2.962 1.00 0.00 N ATOM 113 CA PHE A 8 -4.329 11.466 2.285 1.00 0.00 C ATOM 114 C PHE A 8 -3.040 12.142 1.928 1.00 0.00 C ATOM 115 O PHE A 8 -2.854 12.600 0.800 1.00 0.00 O ATOM 116 CB PHE A 8 -4.995 10.961 0.999 1.00 0.00 C ATOM 117 CG PHE A 8 -6.491 10.990 1.002 1.00 0.00 C ATOM 118 CD1 PHE A 8 -7.232 10.018 1.653 1.00 0.00 C ATOM 119 CD2 PHE A 8 -7.156 12.005 0.338 1.00 0.00 C ATOM 120 CE1 PHE A 8 -8.611 10.064 1.641 1.00 0.00 C ATOM 121 CE2 PHE A 8 -8.528 12.053 0.320 1.00 0.00 C ATOM 122 CZ PHE A 8 -9.258 11.086 0.973 1.00 0.00 C ATOM 0 H PHE A 8 -5.149 13.369 2.484 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.198 10.599 2.933 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.638 11.563 0.163 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.668 9.937 0.817 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.727 9.218 2.174 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.589 12.769 -0.173 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.183 9.304 2.152 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.034 12.849 -0.206 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.337 11.126 0.963 1.00 0.00 H new ATOM 132 N ALA A 9 -2.165 12.249 2.893 1.00 0.00 N ATOM 133 CA ALA A 9 -0.937 12.929 2.678 1.00 0.00 C ATOM 134 C ALA A 9 0.130 12.460 3.642 1.00 0.00 C ATOM 135 O ALA A 9 0.089 11.336 4.143 1.00 0.00 O ATOM 136 CB ALA A 9 -1.182 14.430 2.790 1.00 0.00 C ATOM 0 H ALA A 9 -2.289 11.870 3.832 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.566 12.703 1.678 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.246 14.965 2.627 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.911 14.737 2.040 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.565 14.663 3.784 1.00 0.00 H new ATOM 142 N LEU A 10 1.071 13.345 3.868 1.00 0.00 N ATOM 143 CA LEU A 10 2.237 13.105 4.714 1.00 0.00 C ATOM 144 C LEU A 10 1.889 12.538 6.091 1.00 0.00 C ATOM 145 O LEU A 10 1.516 13.288 6.996 1.00 0.00 O ATOM 146 CB LEU A 10 2.995 14.417 4.883 1.00 0.00 C ATOM 147 CG LEU A 10 4.024 14.738 3.790 1.00 0.00 C ATOM 148 CD1 LEU A 10 3.330 15.174 2.500 1.00 0.00 C ATOM 149 CD2 LEU A 10 4.991 15.813 4.280 1.00 0.00 C ATOM 0 H LEU A 10 1.055 14.280 3.462 1.00 0.00 H new ATOM 0 HA LEU A 10 2.847 12.351 4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.271 15.231 4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.508 14.397 5.845 1.00 0.00 H new ATOM 0 HG LEU A 10 4.593 13.834 3.571 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.080 15.396 1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.682 14.372 2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.733 16.065 2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.717 16.033 3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.435 16.718 4.525 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.512 15.456 5.168 1.00 0.00 H new ATOM 161 N GLY A 11 2.011 11.215 6.254 1.00 0.00 N ATOM 162 CA GLY A 11 1.722 10.604 7.539 1.00 0.00 C ATOM 163 C GLY A 11 0.252 10.660 7.847 1.00 0.00 C ATOM 164 O GLY A 11 -0.159 10.721 9.008 1.00 0.00 O ATOM 0 H GLY A 11 2.302 10.566 5.523 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.057 9.567 7.535 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.281 11.116 8.322 1.00 0.00 H new ATOM 168 N GLY A 12 -0.537 10.659 6.794 1.00 0.00 N ATOM 169 CA GLY A 12 -1.963 10.714 6.952 1.00 0.00 C ATOM 170 C GLY A 12 -2.543 9.346 7.184 1.00 0.00 C ATOM 171 O GLY A 12 -2.072 8.355 6.613 1.00 0.00 O ATOM 0 H GLY A 12 -0.212 10.621 5.828 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.213 11.364 7.791 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.412 11.155 6.062 1.00 0.00 H new ATOM 175 N ARG A 13 -3.545 9.282 8.034 1.00 0.00 N ATOM 176 CA ARG A 13 -4.199 8.026 8.334 1.00 0.00 C ATOM 177 C ARG A 13 -5.247 7.751 7.267 1.00 0.00 C ATOM 178 O ARG A 13 -6.110 8.586 6.989 1.00 0.00 O ATOM 179 CB ARG A 13 -4.826 8.058 9.733 1.00 0.00 C ATOM 180 CG ARG A 13 -5.849 9.165 9.911 1.00 0.00 C ATOM 181 CD ARG A 13 -6.240 9.356 11.368 1.00 0.00 C ATOM 182 NE ARG A 13 -5.107 9.739 12.203 1.00 0.00 N ATOM 183 CZ ARG A 13 -5.213 10.115 13.476 1.00 0.00 C ATOM 184 NH1 ARG A 13 -6.407 10.178 14.070 1.00 0.00 N ATOM 185 NH2 ARG A 13 -4.118 10.437 14.151 1.00 0.00 N ATOM 0 H ARG A 13 -3.926 10.087 8.531 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.464 7.221 8.330 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.303 7.098 9.931 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.036 8.181 10.474 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.444 10.098 9.520 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.738 8.933 9.325 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.013 10.121 11.436 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.672 8.431 11.749 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.176 9.717 11.786 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.250 9.937 13.548 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.477 10.467 15.046 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.207 10.395 13.695 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.187 10.726 15.127 1.00 0.00 H new ATOM 199 N CYS A 14 -5.155 6.599 6.645 1.00 0.00 N ATOM 200 CA CYS A 14 -6.083 6.231 5.599 1.00 0.00 C ATOM 201 C CYS A 14 -6.389 4.749 5.621 1.00 0.00 C ATOM 202 O CYS A 14 -5.711 3.959 6.281 1.00 0.00 O ATOM 203 CB CYS A 14 -5.515 6.607 4.231 1.00 0.00 C ATOM 204 SG CYS A 14 -5.491 8.382 3.912 1.00 0.00 S ATOM 0 H CYS A 14 -4.443 5.896 6.846 1.00 0.00 H new ATOM 0 HA CYS A 14 -7.009 6.777 5.778 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.499 6.220 4.151 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.105 6.117 3.456 1.00 0.00 H new ATOM 0 HG CYS A 14 -5.702 9.025 5.022 1.00 0.00 H new ATOM 210 N LEU A 15 -7.442 4.394 4.922 1.00 0.00 N ATOM 211 CA LEU A 15 -7.847 3.013 4.778 1.00 0.00 C ATOM 212 C LEU A 15 -7.477 2.590 3.378 1.00 0.00 C ATOM 213 O LEU A 15 -7.372 3.435 2.495 1.00 0.00 O ATOM 214 CB LEU A 15 -9.349 2.864 4.997 1.00 0.00 C ATOM 215 CG LEU A 15 -9.795 2.894 6.456 1.00 0.00 C ATOM 216 CD1 LEU A 15 -11.288 3.151 6.538 1.00 0.00 C ATOM 217 CD2 LEU A 15 -9.431 1.588 7.147 1.00 0.00 C ATOM 0 H LEU A 15 -8.045 5.057 4.435 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.349 2.388 5.520 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.860 3.663 4.460 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.674 1.923 4.553 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.277 3.705 6.969 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.597 3.171 7.583 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.518 4.110 6.073 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.823 2.357 6.016 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.755 1.624 8.187 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.925 0.759 6.641 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.351 1.445 7.108 1.00 0.00 H new ATOM 229 N ALA A 16 -7.275 1.316 3.149 1.00 0.00 N ATOM 230 CA ALA A 16 -6.912 0.879 1.818 1.00 0.00 C ATOM 231 C ALA A 16 -7.458 -0.500 1.552 1.00 0.00 C ATOM 232 O ALA A 16 -7.471 -1.360 2.434 1.00 0.00 O ATOM 233 CB ALA A 16 -5.404 0.948 1.613 1.00 0.00 C ATOM 0 H ALA A 16 -7.353 0.576 3.847 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.361 1.556 1.092 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.158 0.614 0.605 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.065 1.975 1.748 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.908 0.304 2.339 1.00 0.00 H new ATOM 239 N PHE A 17 -7.942 -0.690 0.345 1.00 0.00 N ATOM 240 CA PHE A 17 -8.527 -1.949 -0.044 1.00 0.00 C ATOM 241 C PHE A 17 -7.474 -2.961 -0.444 1.00 0.00 C ATOM 242 O PHE A 17 -6.913 -2.907 -1.539 1.00 0.00 O ATOM 243 CB PHE A 17 -9.518 -1.749 -1.185 1.00 0.00 C ATOM 244 CG PHE A 17 -10.893 -1.378 -0.718 1.00 0.00 C ATOM 245 CD1 PHE A 17 -11.399 -0.106 -0.933 1.00 0.00 C ATOM 246 CD2 PHE A 17 -11.685 -2.313 -0.078 1.00 0.00 C ATOM 247 CE1 PHE A 17 -12.676 0.222 -0.515 1.00 0.00 C ATOM 248 CE2 PHE A 17 -12.956 -1.991 0.347 1.00 0.00 C ATOM 249 CZ PHE A 17 -13.455 -0.722 0.124 1.00 0.00 C ATOM 0 H PHE A 17 -7.941 0.019 -0.388 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.055 -2.342 0.825 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.145 -0.969 -1.849 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.576 -2.666 -1.771 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.791 0.635 -1.431 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -11.303 -3.309 0.091 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.063 1.215 -0.688 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.561 -2.729 0.853 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.453 -0.469 0.449 1.00 0.00 H new ATOM 259 N HIS A 18 -7.216 -3.881 0.460 1.00 0.00 N ATOM 260 CA HIS A 18 -6.278 -4.947 0.219 1.00 0.00 C ATOM 261 C HIS A 18 -7.090 -6.195 -0.034 1.00 0.00 C ATOM 262 O HIS A 18 -7.669 -6.774 0.893 1.00 0.00 O ATOM 263 CB HIS A 18 -5.329 -5.139 1.401 1.00 0.00 C ATOM 264 CG HIS A 18 -4.129 -5.976 1.077 1.00 0.00 C ATOM 265 ND1 HIS A 18 -2.948 -5.401 0.670 1.00 0.00 N ATOM 266 CD2 HIS A 18 -3.978 -7.323 1.108 1.00 0.00 C ATOM 267 CE1 HIS A 18 -2.108 -6.403 0.469 1.00 0.00 C ATOM 268 NE2 HIS A 18 -2.688 -7.585 0.720 1.00 0.00 N ATOM 0 H HIS A 18 -7.652 -3.908 1.382 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.648 -4.712 -0.639 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -4.996 -4.162 1.751 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.875 -5.603 2.222 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.728 -8.049 1.385 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.085 -6.284 0.144 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.253 -8.504 0.638 1.00 0.00 H new ATOM 276 N GLY A 19 -7.180 -6.574 -1.294 1.00 0.00 N ATOM 277 CA GLY A 19 -7.962 -7.728 -1.655 1.00 0.00 C ATOM 278 C GLY A 19 -9.441 -7.435 -1.509 1.00 0.00 C ATOM 279 O GLY A 19 -9.983 -6.600 -2.235 1.00 0.00 O ATOM 0 H GLY A 19 -6.724 -6.101 -2.074 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.742 -8.016 -2.683 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.689 -8.572 -1.022 1.00 0.00 H new ATOM 283 N PRO A 20 -10.126 -8.098 -0.571 1.00 0.00 N ATOM 284 CA PRO A 20 -11.545 -7.890 -0.345 1.00 0.00 C ATOM 285 C PRO A 20 -11.883 -6.915 0.782 1.00 0.00 C ATOM 286 O PRO A 20 -13.032 -6.483 0.891 1.00 0.00 O ATOM 287 CB PRO A 20 -12.017 -9.282 0.054 1.00 0.00 C ATOM 288 CG PRO A 20 -10.827 -9.954 0.681 1.00 0.00 C ATOM 289 CD PRO A 20 -9.597 -9.157 0.297 1.00 0.00 C ATOM 0 HA PRO A 20 -12.012 -7.452 -1.227 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.849 -9.226 0.756 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.368 -9.840 -0.814 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.936 -9.992 1.765 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.741 -10.983 0.333 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -9.098 -8.744 1.173 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.866 -9.775 -0.225 1.00 0.00 H new ATOM 297 N LEU A 21 -10.917 -6.547 1.617 1.00 0.00 N ATOM 298 CA LEU A 21 -11.243 -5.671 2.733 1.00 0.00 C ATOM 299 C LEU A 21 -10.389 -4.420 2.833 1.00 0.00 C ATOM 300 O LEU A 21 -9.352 -4.276 2.191 1.00 0.00 O ATOM 301 CB LEU A 21 -11.159 -6.439 4.051 1.00 0.00 C ATOM 302 CG LEU A 21 -12.408 -7.244 4.392 1.00 0.00 C ATOM 303 CD1 LEU A 21 -12.369 -7.720 5.831 1.00 0.00 C ATOM 304 CD2 LEU A 21 -13.653 -6.412 4.166 1.00 0.00 C ATOM 0 H LEU A 21 -9.939 -6.829 1.548 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.260 -5.332 2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.306 -7.116 4.009 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.966 -5.732 4.858 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.434 -8.114 3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.271 -8.292 6.050 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.494 -8.352 5.982 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.315 -6.859 6.498 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -14.535 -7.002 4.414 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.619 -5.526 4.800 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.703 -6.108 3.120 1.00 0.00 H new ATOM 316 N MET A 22 -10.870 -3.529 3.685 1.00 0.00 N ATOM 317 CA MET A 22 -10.228 -2.264 3.976 1.00 0.00 C ATOM 318 C MET A 22 -9.314 -2.443 5.175 1.00 0.00 C ATOM 319 O MET A 22 -9.732 -2.961 6.206 1.00 0.00 O ATOM 320 CB MET A 22 -11.286 -1.198 4.297 1.00 0.00 C ATOM 321 CG MET A 22 -11.200 0.026 3.404 1.00 0.00 C ATOM 322 SD MET A 22 -12.418 1.286 3.828 1.00 0.00 S ATOM 323 CE MET A 22 -13.934 0.490 3.308 1.00 0.00 C ATOM 0 H MET A 22 -11.737 -3.671 4.203 1.00 0.00 H new ATOM 0 HA MET A 22 -9.652 -1.941 3.109 1.00 0.00 H new ATOM 0 HB2 MET A 22 -12.277 -1.640 4.200 1.00 0.00 H new ATOM 0 HB3 MET A 22 -11.175 -0.889 5.336 1.00 0.00 H new ATOM 0 HG2 MET A 22 -10.200 0.454 3.477 1.00 0.00 H new ATOM 0 HG3 MET A 22 -11.342 -0.276 2.366 1.00 0.00 H new ATOM 0 HE1 MET A 22 -14.412 1.089 2.533 1.00 0.00 H new ATOM 0 HE2 MET A 22 -13.708 -0.501 2.914 1.00 0.00 H new ATOM 0 HE3 MET A 22 -14.607 0.396 4.160 1.00 0.00 H new ATOM 333 N TYR A 23 -8.071 -2.042 5.038 1.00 0.00 N ATOM 334 CA TYR A 23 -7.125 -2.177 6.128 1.00 0.00 C ATOM 335 C TYR A 23 -6.596 -0.816 6.553 1.00 0.00 C ATOM 336 O TYR A 23 -6.440 0.084 5.728 1.00 0.00 O ATOM 337 CB TYR A 23 -5.977 -3.101 5.723 1.00 0.00 C ATOM 338 CG TYR A 23 -6.370 -4.562 5.699 1.00 0.00 C ATOM 339 CD1 TYR A 23 -6.502 -5.283 6.880 1.00 0.00 C ATOM 340 CD2 TYR A 23 -6.616 -5.221 4.499 1.00 0.00 C ATOM 341 CE1 TYR A 23 -6.868 -6.616 6.867 1.00 0.00 C ATOM 342 CE2 TYR A 23 -6.983 -6.554 4.477 1.00 0.00 C ATOM 343 CZ TYR A 23 -7.105 -7.248 5.663 1.00 0.00 C ATOM 344 OH TYR A 23 -7.469 -8.577 5.648 1.00 0.00 O ATOM 0 H TYR A 23 -7.691 -1.622 4.190 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.641 -2.620 6.980 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.617 -2.812 4.736 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.148 -2.966 6.417 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.315 -4.793 7.824 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -6.519 -4.682 3.568 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -6.968 -7.160 7.794 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.173 -7.049 3.536 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.600 -8.870 4.722 1.00 0.00 H new ATOM 354 N GLU A 24 -6.361 -0.664 7.849 1.00 0.00 N ATOM 355 CA GLU A 24 -5.845 0.582 8.397 1.00 0.00 C ATOM 356 C GLU A 24 -4.390 0.770 7.997 1.00 0.00 C ATOM 357 O GLU A 24 -3.592 -0.167 8.075 1.00 0.00 O ATOM 358 CB GLU A 24 -5.978 0.577 9.920 1.00 0.00 C ATOM 359 CG GLU A 24 -7.332 1.064 10.405 1.00 0.00 C ATOM 360 CD GLU A 24 -7.672 0.598 11.805 1.00 0.00 C ATOM 361 OE1 GLU A 24 -6.750 0.290 12.580 1.00 0.00 O ATOM 362 OE2 GLU A 24 -8.875 0.522 12.130 1.00 0.00 O ATOM 0 H GLU A 24 -6.521 -1.393 8.544 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.426 1.412 7.995 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.810 -0.435 10.289 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.198 1.207 10.348 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.349 2.154 10.379 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.103 0.716 9.717 1.00 0.00 H new ATOM 369 N ALA A 25 -4.041 1.970 7.565 1.00 0.00 N ATOM 370 CA ALA A 25 -2.678 2.240 7.148 1.00 0.00 C ATOM 371 C ALA A 25 -2.303 3.711 7.281 1.00 0.00 C ATOM 372 O ALA A 25 -3.163 4.586 7.340 1.00 0.00 O ATOM 373 CB ALA A 25 -2.490 1.788 5.717 1.00 0.00 C ATOM 0 H ALA A 25 -4.676 2.765 7.495 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.017 1.682 7.812 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.466 1.991 5.403 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.687 0.718 5.644 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.181 2.329 5.071 1.00 0.00 H new ATOM 379 N LYS A 26 -1.004 3.962 7.340 1.00 0.00 N ATOM 380 CA LYS A 26 -0.482 5.318 7.432 1.00 0.00 C ATOM 381 C LYS A 26 0.352 5.604 6.200 1.00 0.00 C ATOM 382 O LYS A 26 1.268 4.847 5.876 1.00 0.00 O ATOM 383 CB LYS A 26 0.356 5.499 8.699 1.00 0.00 C ATOM 384 CG LYS A 26 0.693 6.951 8.998 1.00 0.00 C ATOM 385 CD LYS A 26 1.418 7.109 10.330 1.00 0.00 C ATOM 386 CE LYS A 26 2.810 6.508 10.295 1.00 0.00 C ATOM 387 NZ LYS A 26 3.632 6.973 11.443 1.00 0.00 N ATOM 0 H LYS A 26 -0.286 3.238 7.326 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.314 6.020 7.486 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.185 5.077 9.546 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.282 4.932 8.597 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.315 7.350 8.197 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.224 7.540 9.013 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.486 8.167 10.582 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.836 6.631 11.118 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.739 5.420 10.314 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.301 6.779 9.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.578 6.544 11.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.720 8.009 11.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.175 6.692 12.334 1.00 0.00 H new ATOM 401 N ILE A 27 0.012 6.674 5.503 1.00 0.00 N ATOM 402 CA ILE A 27 0.724 7.052 4.297 1.00 0.00 C ATOM 403 C ILE A 27 2.101 7.569 4.625 1.00 0.00 C ATOM 404 O ILE A 27 2.270 8.611 5.250 1.00 0.00 O ATOM 405 CB ILE A 27 -0.054 8.089 3.471 1.00 0.00 C ATOM 406 CG1 ILE A 27 -1.486 7.605 3.240 1.00 0.00 C ATOM 407 CG2 ILE A 27 0.648 8.328 2.147 1.00 0.00 C ATOM 408 CD1 ILE A 27 -2.435 8.696 2.803 1.00 0.00 C ATOM 0 H ILE A 27 -0.755 7.298 5.753 1.00 0.00 H new ATOM 0 HA ILE A 27 0.823 6.153 3.689 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.090 9.030 4.020 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.477 6.820 2.484 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.861 7.157 4.160 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.091 9.064 1.567 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.656 8.699 2.331 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.702 7.393 1.590 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.431 8.276 2.659 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.475 9.471 3.568 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.085 9.129 1.866 1.00 0.00 H new ATOM 420 N LEU A 28 3.075 6.811 4.187 1.00 0.00 N ATOM 421 CA LEU A 28 4.457 7.119 4.418 1.00 0.00 C ATOM 422 C LEU A 28 5.024 7.954 3.275 1.00 0.00 C ATOM 423 O LEU A 28 5.862 8.829 3.486 1.00 0.00 O ATOM 424 CB LEU A 28 5.222 5.815 4.562 1.00 0.00 C ATOM 425 CG LEU A 28 6.681 5.982 4.913 1.00 0.00 C ATOM 426 CD1 LEU A 28 6.837 6.387 6.367 1.00 0.00 C ATOM 427 CD2 LEU A 28 7.448 4.707 4.626 1.00 0.00 C ATOM 0 H LEU A 28 2.925 5.954 3.655 1.00 0.00 H new ATOM 0 HA LEU A 28 4.555 7.707 5.330 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.743 5.210 5.332 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.147 5.259 3.627 1.00 0.00 H new ATOM 0 HG LEU A 28 7.095 6.776 4.291 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.895 6.502 6.601 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.322 7.332 6.539 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.406 5.618 7.007 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.497 4.847 4.885 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.034 3.892 5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.366 4.463 3.567 1.00 0.00 H new ATOM 439 N LYS A 29 4.579 7.670 2.057 1.00 0.00 N ATOM 440 CA LYS A 29 5.053 8.412 0.893 1.00 0.00 C ATOM 441 C LYS A 29 3.922 8.632 -0.120 1.00 0.00 C ATOM 442 O LYS A 29 3.321 7.681 -0.602 1.00 0.00 O ATOM 443 CB LYS A 29 6.222 7.679 0.208 1.00 0.00 C ATOM 444 CG LYS A 29 7.351 7.288 1.155 1.00 0.00 C ATOM 445 CD LYS A 29 8.609 6.864 0.409 1.00 0.00 C ATOM 446 CE LYS A 29 8.411 5.561 -0.343 1.00 0.00 C ATOM 447 NZ LYS A 29 9.695 4.845 -0.559 1.00 0.00 N ATOM 0 H LYS A 29 3.898 6.940 1.849 1.00 0.00 H new ATOM 0 HA LYS A 29 5.403 9.382 1.248 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.840 6.780 -0.276 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.626 8.317 -0.578 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.584 8.130 1.807 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.019 6.471 1.796 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.896 7.647 -0.292 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.430 6.753 1.117 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.728 4.920 0.214 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.943 5.765 -1.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.507 3.833 -0.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.173 5.234 -1.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.305 4.966 0.275 1.00 0.00 H new ATOM 461 N ILE A 30 3.647 9.886 -0.437 1.00 0.00 N ATOM 462 CA ILE A 30 2.601 10.247 -1.400 1.00 0.00 C ATOM 463 C ILE A 30 3.180 10.181 -2.798 1.00 0.00 C ATOM 464 O ILE A 30 4.369 10.362 -2.961 1.00 0.00 O ATOM 465 CB ILE A 30 2.042 11.672 -1.114 1.00 0.00 C ATOM 466 CG1 ILE A 30 1.197 11.679 0.156 1.00 0.00 C ATOM 467 CG2 ILE A 30 1.215 12.197 -2.278 1.00 0.00 C ATOM 468 CD1 ILE A 30 1.981 11.422 1.417 1.00 0.00 C ATOM 0 H ILE A 30 4.137 10.687 -0.039 1.00 0.00 H new ATOM 0 HA ILE A 30 1.773 9.544 -1.307 1.00 0.00 H new ATOM 0 HB ILE A 30 2.901 12.329 -0.979 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.697 12.644 0.242 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.417 10.923 0.065 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.843 13.193 -2.040 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.836 12.246 -3.173 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.373 11.528 -2.457 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.308 11.443 2.274 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.459 10.444 1.355 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.743 12.192 1.535 1.00 0.00 H new ATOM 480 N TRP A 31 2.362 9.915 -3.799 1.00 0.00 N ATOM 481 CA TRP A 31 2.861 9.808 -5.153 1.00 0.00 C ATOM 482 C TRP A 31 2.152 10.750 -6.110 1.00 0.00 C ATOM 483 O TRP A 31 0.921 10.752 -6.178 1.00 0.00 O ATOM 484 CB TRP A 31 2.664 8.401 -5.658 1.00 0.00 C ATOM 485 CG TRP A 31 3.008 8.262 -7.092 1.00 0.00 C ATOM 486 CD1 TRP A 31 2.164 8.304 -8.158 1.00 0.00 C ATOM 487 CD2 TRP A 31 4.302 8.085 -7.608 1.00 0.00 C ATOM 488 NE1 TRP A 31 2.871 8.131 -9.317 1.00 0.00 N ATOM 489 CE2 TRP A 31 4.187 7.987 -9.000 1.00 0.00 C ATOM 490 CE3 TRP A 31 5.549 7.980 -7.012 1.00 0.00 C ATOM 491 CZ2 TRP A 31 5.280 7.794 -9.812 1.00 0.00 C ATOM 492 CZ3 TRP A 31 6.640 7.789 -7.818 1.00 0.00 C ATOM 493 CH2 TRP A 31 6.496 7.694 -9.209 1.00 0.00 C ATOM 0 H TRP A 31 1.357 9.770 -3.700 1.00 0.00 H new ATOM 0 HA TRP A 31 3.917 10.076 -5.120 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.279 7.718 -5.072 1.00 0.00 H new ATOM 0 HB3 TRP A 31 1.626 8.105 -5.506 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.096 8.452 -8.099 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.479 8.113 -10.258 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.658 8.047 -5.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.178 7.725 -10.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 7.623 7.711 -7.377 1.00 0.00 H new ATOM 0 HH2 TRP A 31 7.374 7.537 -9.819 1.00 0.00 H new ATOM 504 N ASP A 32 2.934 11.485 -6.890 1.00 0.00 N ATOM 505 CA ASP A 32 2.388 12.404 -7.878 1.00 0.00 C ATOM 506 C ASP A 32 2.909 12.033 -9.267 1.00 0.00 C ATOM 507 O ASP A 32 4.077 12.270 -9.599 1.00 0.00 O ATOM 508 CB ASP A 32 2.739 13.849 -7.533 1.00 0.00 C ATOM 509 CG ASP A 32 1.731 14.822 -8.099 1.00 0.00 C ATOM 510 OD1 ASP A 32 1.105 15.562 -7.313 1.00 0.00 O ATOM 511 OD2 ASP A 32 1.540 14.837 -9.328 1.00 0.00 O ATOM 0 H ASP A 32 3.953 11.462 -6.856 1.00 0.00 H new ATOM 0 HA ASP A 32 1.301 12.321 -7.874 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.786 13.963 -6.450 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.730 14.085 -7.921 1.00 0.00 H new ATOM 516 N PRO A 33 2.029 11.458 -10.103 1.00 0.00 N ATOM 517 CA PRO A 33 2.381 10.993 -11.455 1.00 0.00 C ATOM 518 C PRO A 33 2.605 12.109 -12.474 1.00 0.00 C ATOM 519 O PRO A 33 2.854 11.834 -13.648 1.00 0.00 O ATOM 520 CB PRO A 33 1.162 10.168 -11.862 1.00 0.00 C ATOM 521 CG PRO A 33 0.031 10.771 -11.108 1.00 0.00 C ATOM 522 CD PRO A 33 0.606 11.217 -9.793 1.00 0.00 C ATOM 0 HA PRO A 33 3.329 10.455 -11.439 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.992 10.217 -12.938 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.292 9.116 -11.607 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.397 11.612 -11.653 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -0.770 10.047 -10.959 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.117 12.119 -9.426 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.486 10.454 -9.023 1.00 0.00 H new ATOM 530 N SER A 34 2.526 13.352 -12.034 1.00 0.00 N ATOM 531 CA SER A 34 2.716 14.480 -12.941 1.00 0.00 C ATOM 532 C SER A 34 4.179 14.595 -13.350 1.00 0.00 C ATOM 533 O SER A 34 4.501 15.040 -14.453 1.00 0.00 O ATOM 534 CB SER A 34 2.253 15.785 -12.294 1.00 0.00 C ATOM 535 OG SER A 34 2.945 16.032 -11.082 1.00 0.00 O ATOM 0 H SER A 34 2.334 13.609 -11.066 1.00 0.00 H new ATOM 0 HA SER A 34 2.112 14.301 -13.830 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.416 16.613 -12.984 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.181 15.737 -12.100 1.00 0.00 H new ATOM 0 HG SER A 34 2.347 15.866 -10.324 1.00 0.00 H new ATOM 541 N SER A 35 5.059 14.194 -12.443 1.00 0.00 N ATOM 542 CA SER A 35 6.486 14.238 -12.685 1.00 0.00 C ATOM 543 C SER A 35 7.078 12.845 -12.483 1.00 0.00 C ATOM 544 O SER A 35 8.160 12.544 -12.991 1.00 0.00 O ATOM 545 CB SER A 35 7.134 15.258 -11.750 1.00 0.00 C ATOM 546 OG SER A 35 6.280 16.379 -11.559 1.00 0.00 O ATOM 0 H SER A 35 4.801 13.832 -11.525 1.00 0.00 H new ATOM 0 HA SER A 35 6.682 14.548 -13.712 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.350 14.792 -10.789 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.086 15.587 -12.166 1.00 0.00 H new ATOM 0 HG SER A 35 6.711 17.020 -10.956 1.00 0.00 H new ATOM 552 N LYS A 36 6.358 12.030 -11.693 1.00 0.00 N ATOM 553 CA LYS A 36 6.711 10.649 -11.401 1.00 0.00 C ATOM 554 C LYS A 36 7.624 10.606 -10.205 1.00 0.00 C ATOM 555 O LYS A 36 8.592 9.846 -10.129 1.00 0.00 O ATOM 556 CB LYS A 36 7.302 9.909 -12.593 1.00 0.00 C ATOM 557 CG LYS A 36 7.250 8.410 -12.410 1.00 0.00 C ATOM 558 CD LYS A 36 8.017 7.662 -13.492 1.00 0.00 C ATOM 559 CE LYS A 36 7.089 7.146 -14.580 1.00 0.00 C ATOM 560 NZ LYS A 36 7.672 5.986 -15.306 1.00 0.00 N ATOM 0 H LYS A 36 5.497 12.329 -11.235 1.00 0.00 H new ATOM 0 HA LYS A 36 5.789 10.116 -11.169 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.757 10.183 -13.496 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.336 10.221 -12.737 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.661 8.152 -11.434 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.210 8.083 -12.414 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.763 8.323 -13.933 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.555 6.826 -13.045 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.137 6.855 -14.136 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.879 7.948 -15.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.007 5.665 -16.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.568 6.270 -15.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.849 5.211 -14.636 1.00 0.00 H new ATOM 574 N MET A 37 7.275 11.445 -9.269 1.00 0.00 N ATOM 575 CA MET A 37 7.960 11.560 -8.034 1.00 0.00 C ATOM 576 C MET A 37 6.968 11.264 -6.937 1.00 0.00 C ATOM 577 O MET A 37 5.763 11.164 -7.174 1.00 0.00 O ATOM 578 CB MET A 37 8.557 12.959 -7.848 1.00 0.00 C ATOM 579 CG MET A 37 8.489 13.848 -9.075 1.00 0.00 C ATOM 580 SD MET A 37 9.910 13.658 -10.169 1.00 0.00 S ATOM 581 CE MET A 37 11.126 14.672 -9.333 1.00 0.00 C ATOM 0 H MET A 37 6.482 12.081 -9.358 1.00 0.00 H new ATOM 0 HA MET A 37 8.792 10.856 -8.009 1.00 0.00 H new ATOM 0 HB2 MET A 37 8.037 13.455 -7.028 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.600 12.857 -7.548 1.00 0.00 H new ATOM 0 HG2 MET A 37 7.579 13.622 -9.630 1.00 0.00 H new ATOM 0 HG3 MET A 37 8.419 14.889 -8.758 1.00 0.00 H new ATOM 0 HE1 MET A 37 11.924 14.932 -10.029 1.00 0.00 H new ATOM 0 HE2 MET A 37 10.651 15.583 -8.968 1.00 0.00 H new ATOM 0 HE3 MET A 37 11.544 14.119 -8.492 1.00 0.00 H new ATOM 591 N TYR A 38 7.472 11.170 -5.752 1.00 0.00 N ATOM 592 CA TYR A 38 6.672 10.865 -4.607 1.00 0.00 C ATOM 593 C TYR A 38 7.183 11.690 -3.438 1.00 0.00 C ATOM 594 O TYR A 38 8.320 12.166 -3.466 1.00 0.00 O ATOM 595 CB TYR A 38 6.727 9.363 -4.283 1.00 0.00 C ATOM 596 CG TYR A 38 8.101 8.815 -3.997 1.00 0.00 C ATOM 597 CD1 TYR A 38 8.813 8.137 -4.972 1.00 0.00 C ATOM 598 CD2 TYR A 38 8.673 8.959 -2.743 1.00 0.00 C ATOM 599 CE1 TYR A 38 10.062 7.618 -4.705 1.00 0.00 C ATOM 600 CE2 TYR A 38 9.920 8.448 -2.468 1.00 0.00 C ATOM 601 CZ TYR A 38 10.613 7.778 -3.453 1.00 0.00 C ATOM 602 OH TYR A 38 11.860 7.267 -3.184 1.00 0.00 O ATOM 0 H TYR A 38 8.462 11.304 -5.546 1.00 0.00 H new ATOM 0 HA TYR A 38 5.629 11.112 -4.808 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.090 9.171 -3.419 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.301 8.812 -5.121 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.384 8.013 -5.955 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.131 9.481 -1.969 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.606 7.089 -5.474 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.353 8.571 -1.486 1.00 0.00 H new ATOM 0 HH TYR A 38 12.102 7.467 -2.256 1.00 0.00 H new ATOM 612 N THR A 39 6.368 11.885 -2.428 1.00 0.00 N ATOM 613 CA THR A 39 6.793 12.651 -1.276 1.00 0.00 C ATOM 614 C THR A 39 6.804 11.761 -0.048 1.00 0.00 C ATOM 615 O THR A 39 5.772 11.278 0.411 1.00 0.00 O ATOM 616 CB THR A 39 5.933 13.911 -1.061 1.00 0.00 C ATOM 617 OG1 THR A 39 4.850 13.659 -0.154 1.00 0.00 O ATOM 618 CG2 THR A 39 5.384 14.418 -2.385 1.00 0.00 C ATOM 0 H THR A 39 5.414 11.528 -2.378 1.00 0.00 H new ATOM 0 HA THR A 39 7.806 13.009 -1.460 1.00 0.00 H new ATOM 0 HB THR A 39 6.577 14.674 -0.624 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.748 12.693 -0.027 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.780 15.308 -2.211 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.211 14.665 -3.051 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.768 13.645 -2.843 1.00 0.00 H new ATOM 626 N SER A 40 7.988 11.567 0.482 1.00 0.00 N ATOM 627 CA SER A 40 8.195 10.700 1.629 1.00 0.00 C ATOM 628 C SER A 40 8.052 11.448 2.944 1.00 0.00 C ATOM 629 O SER A 40 7.907 12.658 2.972 1.00 0.00 O ATOM 630 CB SER A 40 9.597 10.074 1.524 1.00 0.00 C ATOM 631 OG SER A 40 9.912 9.253 2.641 1.00 0.00 O ATOM 0 H SER A 40 8.841 12.005 0.133 1.00 0.00 H new ATOM 0 HA SER A 40 7.429 9.925 1.620 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.659 9.480 0.612 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.340 10.867 1.439 1.00 0.00 H new ATOM 0 HG SER A 40 10.810 8.877 2.528 1.00 0.00 H new ATOM 637 N ILE A 41 8.017 10.714 4.034 1.00 0.00 N ATOM 638 CA ILE A 41 7.942 11.339 5.336 1.00 0.00 C ATOM 639 C ILE A 41 9.033 10.796 6.248 1.00 0.00 C ATOM 640 O ILE A 41 9.366 9.610 6.206 1.00 0.00 O ATOM 641 CB ILE A 41 6.561 11.161 6.003 1.00 0.00 C ATOM 642 CG1 ILE A 41 6.309 9.705 6.397 1.00 0.00 C ATOM 643 CG2 ILE A 41 5.472 11.666 5.086 1.00 0.00 C ATOM 644 CD1 ILE A 41 5.172 9.535 7.382 1.00 0.00 C ATOM 0 H ILE A 41 8.039 9.694 4.046 1.00 0.00 H new ATOM 0 HA ILE A 41 8.091 12.408 5.181 1.00 0.00 H new ATOM 0 HB ILE A 41 6.551 11.751 6.920 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.091 9.126 5.499 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.220 9.291 6.830 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.502 11.536 5.566 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.634 12.723 4.877 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.493 11.104 4.152 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.049 8.478 7.617 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.396 10.086 8.295 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.251 9.919 6.944 1.00 0.00 H new ATOM 846 N ILE A 56 11.788 16.735 2.355 1.00 0.00 N ATOM 847 CA ILE A 56 10.973 15.939 1.471 1.00 0.00 C ATOM 848 C ILE A 56 10.382 16.740 0.335 1.00 0.00 C ATOM 849 O ILE A 56 9.337 17.380 0.458 1.00 0.00 O ATOM 850 CB ILE A 56 9.853 15.172 2.172 1.00 0.00 C ATOM 851 CG1 ILE A 56 10.414 14.355 3.341 1.00 0.00 C ATOM 852 CG2 ILE A 56 9.183 14.284 1.150 1.00 0.00 C ATOM 853 CD1 ILE A 56 11.392 13.275 2.927 1.00 0.00 C ATOM 0 HA ILE A 56 11.676 15.209 1.069 1.00 0.00 H new ATOM 0 HB ILE A 56 9.120 15.864 2.588 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.909 15.031 4.038 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.586 13.894 3.878 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.378 13.724 1.626 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.773 14.898 0.348 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.914 13.588 0.738 1.00 0.00 H new ATOM 0 HD11 ILE A 56 11.742 12.743 3.811 1.00 0.00 H new ATOM 0 HD12 ILE A 56 10.897 12.574 2.254 1.00 0.00 H new ATOM 0 HD13 ILE A 56 12.241 13.729 2.417 1.00 0.00 H new ATOM 865 N LYS A 57 11.103 16.728 -0.753 1.00 0.00 N ATOM 866 CA LYS A 57 10.657 17.339 -1.974 1.00 0.00 C ATOM 867 C LYS A 57 10.280 16.174 -2.879 1.00 0.00 C ATOM 868 O LYS A 57 10.723 15.056 -2.617 1.00 0.00 O ATOM 869 CB LYS A 57 11.761 18.223 -2.571 1.00 0.00 C ATOM 870 CG LYS A 57 11.533 19.714 -2.337 1.00 0.00 C ATOM 871 CD LYS A 57 12.476 20.301 -1.287 1.00 0.00 C ATOM 872 CE LYS A 57 12.119 21.754 -0.982 1.00 0.00 C ATOM 873 NZ LYS A 57 13.065 22.397 -0.025 1.00 0.00 N ATOM 0 H LYS A 57 12.022 16.291 -0.817 1.00 0.00 H new ATOM 0 HA LYS A 57 9.808 18.007 -1.829 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.720 17.937 -2.138 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.826 18.036 -3.643 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.666 20.249 -3.277 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.502 19.874 -2.022 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.421 19.710 -0.373 1.00 0.00 H new ATOM 0 HD3 LYS A 57 13.504 20.243 -1.643 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.109 22.323 -1.912 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.110 21.796 -0.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 12.773 23.381 0.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.058 21.874 0.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.025 22.385 -0.425 1.00 0.00 H new ATOM 887 N PRO A 58 9.446 16.365 -3.904 1.00 0.00 N ATOM 888 CA PRO A 58 9.041 15.259 -4.771 1.00 0.00 C ATOM 889 C PRO A 58 10.240 14.477 -5.311 1.00 0.00 C ATOM 890 O PRO A 58 11.017 14.983 -6.120 1.00 0.00 O ATOM 891 CB PRO A 58 8.275 15.944 -5.900 1.00 0.00 C ATOM 892 CG PRO A 58 7.816 17.242 -5.326 1.00 0.00 C ATOM 893 CD PRO A 58 8.842 17.644 -4.304 1.00 0.00 C ATOM 0 HA PRO A 58 8.445 14.519 -4.238 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.912 16.101 -6.770 1.00 0.00 H new ATOM 0 HB3 PRO A 58 7.431 15.338 -6.228 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.726 18.000 -6.104 1.00 0.00 H new ATOM 0 HG3 PRO A 58 6.833 17.137 -4.868 1.00 0.00 H new ATOM 0 HD2 PRO A 58 9.583 18.324 -4.725 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.386 18.155 -3.456 1.00 0.00 H new ATOM 901 N GLN A 59 10.379 13.241 -4.846 1.00 0.00 N ATOM 902 CA GLN A 59 11.483 12.376 -5.245 1.00 0.00 C ATOM 903 C GLN A 59 11.015 11.392 -6.301 1.00 0.00 C ATOM 904 O GLN A 59 10.067 10.650 -6.079 1.00 0.00 O ATOM 905 CB GLN A 59 12.023 11.609 -4.031 1.00 0.00 C ATOM 906 CG GLN A 59 12.792 12.468 -3.035 1.00 0.00 C ATOM 907 CD GLN A 59 12.392 12.193 -1.595 1.00 0.00 C ATOM 908 OE1 GLN A 59 11.467 12.984 -1.078 1.00 0.00 O flip ATOM 909 NE2 GLN A 59 12.919 11.290 -0.946 1.00 0.00 N flip ATOM 0 H GLN A 59 9.732 12.811 -4.184 1.00 0.00 H new ATOM 0 HA GLN A 59 12.279 12.996 -5.657 1.00 0.00 H new ATOM 0 HB2 GLN A 59 11.188 11.135 -3.515 1.00 0.00 H new ATOM 0 HB3 GLN A 59 12.675 10.810 -4.382 1.00 0.00 H new ATOM 0 HG2 GLN A 59 13.860 12.286 -3.153 1.00 0.00 H new ATOM 0 HG3 GLN A 59 12.621 13.521 -3.261 1.00 0.00 H new ATOM 0 HE21 GLN A 59 13.629 10.699 -1.378 1.00 0.00 H new ATOM 0 HE22 GLN A 59 12.645 11.132 0.024 1.00 0.00 H new ATOM 918 N LYS A 60 11.683 11.386 -7.439 1.00 0.00 N ATOM 919 CA LYS A 60 11.336 10.506 -8.536 1.00 0.00 C ATOM 920 C LYS A 60 11.707 9.081 -8.190 1.00 0.00 C ATOM 921 O LYS A 60 12.690 8.847 -7.483 1.00 0.00 O ATOM 922 CB LYS A 60 12.058 10.938 -9.813 1.00 0.00 C ATOM 923 CG LYS A 60 11.613 10.179 -11.053 1.00 0.00 C ATOM 924 CD LYS A 60 12.416 10.583 -12.277 1.00 0.00 C ATOM 925 CE LYS A 60 12.067 11.986 -12.747 1.00 0.00 C ATOM 926 NZ LYS A 60 13.111 12.535 -13.653 1.00 0.00 N ATOM 0 H LYS A 60 12.482 11.992 -7.628 1.00 0.00 H new ATOM 0 HA LYS A 60 10.261 10.565 -8.706 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.892 12.004 -9.971 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.131 10.799 -9.678 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.723 9.108 -10.883 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.555 10.366 -11.234 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.480 10.532 -12.046 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.230 9.873 -13.083 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.108 11.969 -13.264 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.952 12.642 -11.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.840 13.493 -13.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 14.021 12.574 -13.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.203 11.922 -14.488 1.00 0.00 H new ATOM 940 N LEU A 61 10.904 8.143 -8.659 1.00 0.00 N ATOM 941 CA LEU A 61 11.157 6.737 -8.412 1.00 0.00 C ATOM 942 C LEU A 61 12.555 6.361 -8.873 1.00 0.00 C ATOM 943 O LEU A 61 12.869 6.448 -10.057 1.00 0.00 O ATOM 944 CB LEU A 61 10.113 5.889 -9.124 1.00 0.00 C ATOM 945 CG LEU A 61 8.818 5.701 -8.350 1.00 0.00 C ATOM 946 CD1 LEU A 61 7.909 4.734 -9.082 1.00 0.00 C ATOM 947 CD2 LEU A 61 9.115 5.220 -6.943 1.00 0.00 C ATOM 0 H LEU A 61 10.069 8.331 -9.214 1.00 0.00 H new ATOM 0 HA LEU A 61 11.089 6.549 -7.340 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.883 6.349 -10.085 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.541 4.909 -9.334 1.00 0.00 H new ATOM 0 HG LEU A 61 8.302 6.658 -8.276 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.984 4.607 -8.519 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.680 5.129 -10.072 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.408 3.770 -9.182 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.180 5.089 -6.398 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.645 4.269 -6.988 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.734 5.956 -6.430 1.00 0.00 H new ATOM 959 N GLY A 62 13.387 5.936 -7.929 1.00 0.00 N ATOM 960 CA GLY A 62 14.756 5.575 -8.256 1.00 0.00 C ATOM 961 C GLY A 62 14.885 4.148 -8.747 1.00 0.00 C ATOM 962 O GLY A 62 15.917 3.511 -8.542 1.00 0.00 O ATOM 0 H GLY A 62 13.140 5.835 -6.945 1.00 0.00 H new ATOM 0 HA2 GLY A 62 15.133 6.253 -9.021 1.00 0.00 H new ATOM 0 HA3 GLY A 62 15.383 5.709 -7.374 1.00 0.00 H new ATOM 966 N GLU A 63 13.830 3.658 -9.407 1.00 0.00 N ATOM 967 CA GLU A 63 13.786 2.291 -9.940 1.00 0.00 C ATOM 968 C GLU A 63 14.015 1.279 -8.829 1.00 0.00 C ATOM 969 O GLU A 63 14.412 0.138 -9.067 1.00 0.00 O ATOM 970 CB GLU A 63 14.828 2.114 -11.044 1.00 0.00 C ATOM 971 CG GLU A 63 14.923 3.316 -11.956 1.00 0.00 C ATOM 972 CD GLU A 63 15.953 3.138 -13.041 1.00 0.00 C ATOM 973 OE1 GLU A 63 17.099 3.601 -12.857 1.00 0.00 O ATOM 974 OE2 GLU A 63 15.625 2.527 -14.079 1.00 0.00 O ATOM 0 H GLU A 63 12.983 4.197 -9.587 1.00 0.00 H new ATOM 0 HA GLU A 63 12.797 2.119 -10.366 1.00 0.00 H new ATOM 0 HB2 GLU A 63 15.802 1.929 -10.592 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.578 1.233 -11.636 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.950 3.501 -12.411 1.00 0.00 H new ATOM 0 HG3 GLU A 63 15.171 4.198 -11.365 1.00 0.00 H new ATOM 981 N ASP A 64 13.766 1.725 -7.614 1.00 0.00 N ATOM 982 CA ASP A 64 13.935 0.905 -6.426 1.00 0.00 C ATOM 983 C ASP A 64 12.593 0.709 -5.751 1.00 0.00 C ATOM 984 O ASP A 64 12.411 -0.187 -4.927 1.00 0.00 O ATOM 985 CB ASP A 64 14.894 1.596 -5.451 1.00 0.00 C ATOM 986 CG ASP A 64 14.303 2.871 -4.863 1.00 0.00 C ATOM 987 OD1 ASP A 64 14.408 3.067 -3.634 1.00 0.00 O ATOM 988 OD2 ASP A 64 13.715 3.674 -5.632 1.00 0.00 O ATOM 0 H ASP A 64 13.439 2.671 -7.420 1.00 0.00 H new ATOM 0 HA ASP A 64 14.346 -0.062 -6.715 1.00 0.00 H new ATOM 0 HB2 ASP A 64 15.145 0.908 -4.643 1.00 0.00 H new ATOM 0 HB3 ASP A 64 15.824 1.834 -5.967 1.00 0.00 H new ATOM 993 N GLU A 65 11.655 1.552 -6.141 1.00 0.00 N ATOM 994 CA GLU A 65 10.325 1.553 -5.570 1.00 0.00 C ATOM 995 C GLU A 65 9.252 1.447 -6.640 1.00 0.00 C ATOM 996 O GLU A 65 8.101 1.817 -6.408 1.00 0.00 O ATOM 997 CB GLU A 65 10.158 2.841 -4.807 1.00 0.00 C ATOM 998 CG GLU A 65 10.772 2.806 -3.416 1.00 0.00 C ATOM 999 CD GLU A 65 9.983 1.941 -2.450 1.00 0.00 C ATOM 1000 OE1 GLU A 65 10.055 0.700 -2.548 1.00 0.00 O ATOM 1001 OE2 GLU A 65 9.300 2.506 -1.572 1.00 0.00 O ATOM 0 H GLU A 65 11.796 2.257 -6.865 1.00 0.00 H new ATOM 0 HA GLU A 65 10.213 0.688 -4.917 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.612 3.652 -5.376 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.095 3.068 -4.721 1.00 0.00 H new ATOM 0 HG2 GLU A 65 11.793 2.430 -3.483 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.831 3.821 -3.024 1.00 0.00 H new ATOM 1008 N SER A 66 9.675 0.981 -7.809 1.00 0.00 N ATOM 1009 CA SER A 66 8.813 0.784 -8.985 1.00 0.00 C ATOM 1010 C SER A 66 7.355 0.475 -8.615 1.00 0.00 C ATOM 1011 O SER A 66 7.037 -0.579 -8.059 1.00 0.00 O ATOM 1012 CB SER A 66 9.400 -0.333 -9.848 1.00 0.00 C ATOM 1013 OG SER A 66 10.810 -0.185 -9.961 1.00 0.00 O ATOM 0 H SER A 66 10.647 0.722 -7.977 1.00 0.00 H new ATOM 0 HA SER A 66 8.789 1.720 -9.543 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.164 -1.302 -9.409 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.946 -0.313 -10.839 1.00 0.00 H new ATOM 0 HG SER A 66 11.171 -0.908 -10.515 1.00 0.00 H new ATOM 1019 N ILE A 67 6.484 1.419 -8.946 1.00 0.00 N ATOM 1020 CA ILE A 67 5.061 1.332 -8.641 1.00 0.00 C ATOM 1021 C ILE A 67 4.269 0.655 -9.759 1.00 0.00 C ATOM 1022 O ILE A 67 4.579 0.846 -10.936 1.00 0.00 O ATOM 1023 CB ILE A 67 4.493 2.754 -8.448 1.00 0.00 C ATOM 1024 CG1 ILE A 67 5.224 3.455 -7.314 1.00 0.00 C ATOM 1025 CG2 ILE A 67 2.992 2.740 -8.187 1.00 0.00 C ATOM 1026 CD1 ILE A 67 4.725 4.853 -7.070 1.00 0.00 C ATOM 0 H ILE A 67 6.747 2.273 -9.437 1.00 0.00 H new ATOM 0 HA ILE A 67 4.961 0.734 -7.735 1.00 0.00 H new ATOM 0 HB ILE A 67 4.653 3.304 -9.376 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.112 2.871 -6.401 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.289 3.490 -7.542 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.636 3.762 -8.057 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.480 2.282 -9.033 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.785 2.166 -7.284 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.285 5.301 -6.249 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.861 5.451 -7.971 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.666 4.822 -6.812 1.00 0.00 H new ATOM 1038 N PRO A 68 3.260 -0.174 -9.407 1.00 0.00 N ATOM 1039 CA PRO A 68 2.388 -0.818 -10.393 1.00 0.00 C ATOM 1040 C PRO A 68 1.865 0.200 -11.402 1.00 0.00 C ATOM 1041 O PRO A 68 1.273 1.213 -11.024 1.00 0.00 O ATOM 1042 CB PRO A 68 1.245 -1.369 -9.542 1.00 0.00 C ATOM 1043 CG PRO A 68 1.861 -1.632 -8.213 1.00 0.00 C ATOM 1044 CD PRO A 68 2.929 -0.584 -8.027 1.00 0.00 C ATOM 0 HA PRO A 68 2.897 -1.584 -10.977 1.00 0.00 H new ATOM 0 HB2 PRO A 68 0.427 -0.653 -9.465 1.00 0.00 H new ATOM 0 HB3 PRO A 68 0.832 -2.280 -9.975 1.00 0.00 H new ATOM 0 HG2 PRO A 68 1.115 -1.572 -7.420 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.288 -2.634 -8.174 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.567 0.257 -7.435 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.799 -0.987 -7.509 1.00 0.00 H new ATOM 1052 N GLU A 69 2.072 -0.078 -12.685 1.00 0.00 N ATOM 1053 CA GLU A 69 1.670 0.838 -13.753 1.00 0.00 C ATOM 1054 C GLU A 69 0.156 1.049 -13.829 1.00 0.00 C ATOM 1055 O GLU A 69 -0.321 1.872 -14.611 1.00 0.00 O ATOM 1056 CB GLU A 69 2.204 0.340 -15.093 1.00 0.00 C ATOM 1057 CG GLU A 69 3.719 0.252 -15.133 1.00 0.00 C ATOM 1058 CD GLU A 69 4.310 0.839 -16.396 1.00 0.00 C ATOM 1059 OE1 GLU A 69 4.607 0.069 -17.333 1.00 0.00 O ATOM 1060 OE2 GLU A 69 4.488 2.075 -16.459 1.00 0.00 O ATOM 0 H GLU A 69 2.518 -0.934 -13.014 1.00 0.00 H new ATOM 0 HA GLU A 69 2.105 1.809 -13.517 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.783 -0.643 -15.303 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.863 1.008 -15.884 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.131 0.773 -14.269 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.020 -0.792 -15.049 1.00 0.00 H new ATOM 1067 N GLU A 70 -0.593 0.325 -13.013 1.00 0.00 N ATOM 1068 CA GLU A 70 -2.043 0.459 -12.998 1.00 0.00 C ATOM 1069 C GLU A 70 -2.482 1.511 -11.980 1.00 0.00 C ATOM 1070 O GLU A 70 -3.611 1.999 -12.023 1.00 0.00 O ATOM 1071 CB GLU A 70 -2.699 -0.885 -12.683 1.00 0.00 C ATOM 1072 CG GLU A 70 -2.365 -1.425 -11.301 1.00 0.00 C ATOM 1073 CD GLU A 70 -3.082 -2.721 -10.987 1.00 0.00 C ATOM 1074 OE1 GLU A 70 -2.487 -3.795 -11.196 1.00 0.00 O ATOM 1075 OE2 GLU A 70 -4.247 -2.674 -10.539 1.00 0.00 O ATOM 0 H GLU A 70 -0.224 -0.360 -12.354 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.364 0.784 -13.988 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.780 -0.779 -12.769 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.389 -1.614 -13.432 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.289 -1.584 -11.229 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.628 -0.679 -10.551 1.00 0.00 H new ATOM 1082 N ILE A 71 -1.583 1.859 -11.065 1.00 0.00 N ATOM 1083 CA ILE A 71 -1.891 2.841 -10.029 1.00 0.00 C ATOM 1084 C ILE A 71 -0.938 4.041 -10.084 1.00 0.00 C ATOM 1085 O ILE A 71 -1.270 5.122 -9.601 1.00 0.00 O ATOM 1086 CB ILE A 71 -1.830 2.204 -8.618 1.00 0.00 C ATOM 1087 CG1 ILE A 71 -0.385 1.914 -8.213 1.00 0.00 C ATOM 1088 CG2 ILE A 71 -2.647 0.924 -8.574 1.00 0.00 C ATOM 1089 CD1 ILE A 71 -0.229 1.462 -6.778 1.00 0.00 C ATOM 0 H ILE A 71 -0.638 1.478 -11.019 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.905 3.191 -10.221 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.253 2.917 -7.910 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.019 1.145 -8.872 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.212 2.812 -8.368 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.592 0.491 -7.575 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.686 1.147 -8.816 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.250 0.214 -9.299 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.824 1.276 -6.568 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.601 2.238 -6.109 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.797 0.545 -6.621 1.00 0.00 H new ATOM 1101 N ILE A 72 0.233 3.836 -10.688 1.00 0.00 N ATOM 1102 CA ILE A 72 1.275 4.863 -10.814 1.00 0.00 C ATOM 1103 C ILE A 72 0.764 6.144 -11.457 1.00 0.00 C ATOM 1104 O ILE A 72 1.225 7.232 -11.142 1.00 0.00 O ATOM 1105 CB ILE A 72 2.451 4.299 -11.631 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.710 5.162 -11.487 1.00 0.00 C ATOM 1107 CG2 ILE A 72 2.081 4.115 -13.101 1.00 0.00 C ATOM 1108 CD1 ILE A 72 3.886 6.205 -12.578 1.00 0.00 C ATOM 0 H ILE A 72 0.490 2.943 -11.109 1.00 0.00 H new ATOM 0 HA ILE A 72 1.601 5.123 -9.807 1.00 0.00 H new ATOM 0 HB ILE A 72 2.676 3.315 -11.220 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.681 5.666 -10.521 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.584 4.510 -11.481 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.937 3.715 -13.644 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.244 3.421 -13.181 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.797 5.077 -13.528 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.801 6.769 -12.398 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.950 5.710 -13.547 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.034 6.884 -12.573 1.00 0.00 H new ATOM 1120 N ASN A 73 -0.198 6.021 -12.336 1.00 0.00 N ATOM 1121 CA ASN A 73 -0.718 7.186 -13.016 1.00 0.00 C ATOM 1122 C ASN A 73 -1.987 7.696 -12.357 1.00 0.00 C ATOM 1123 O ASN A 73 -2.752 8.442 -12.968 1.00 0.00 O ATOM 1124 CB ASN A 73 -0.975 6.857 -14.478 1.00 0.00 C ATOM 1125 CG ASN A 73 -0.147 7.714 -15.409 1.00 0.00 C ATOM 1126 OD1 ASN A 73 -0.091 8.933 -15.263 1.00 0.00 O ATOM 1127 ND2 ASN A 73 0.512 7.080 -16.365 1.00 0.00 N ATOM 0 H ASN A 73 -0.635 5.137 -12.598 1.00 0.00 H new ATOM 0 HA ASN A 73 0.027 7.979 -12.950 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.750 5.806 -14.657 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.033 6.999 -14.700 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.095 7.605 -17.017 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.437 6.066 -16.450 1.00 0.00 H new ATOM 1134 N GLY A 74 -2.204 7.314 -11.107 1.00 0.00 N ATOM 1135 CA GLY A 74 -3.411 7.766 -10.425 1.00 0.00 C ATOM 1136 C GLY A 74 -3.190 8.216 -8.996 1.00 0.00 C ATOM 1137 O GLY A 74 -4.060 7.988 -8.153 1.00 0.00 O ATOM 0 H GLY A 74 -1.587 6.714 -10.559 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -3.846 8.591 -10.990 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.141 6.957 -10.430 1.00 0.00 H new ATOM 1141 N LYS A 75 -2.057 8.882 -8.737 1.00 0.00 N ATOM 1142 CA LYS A 75 -1.715 9.370 -7.391 1.00 0.00 C ATOM 1143 C LYS A 75 -1.689 8.211 -6.403 1.00 0.00 C ATOM 1144 O LYS A 75 -2.729 7.730 -5.943 1.00 0.00 O ATOM 1145 CB LYS A 75 -2.692 10.456 -6.927 1.00 0.00 C ATOM 1146 CG LYS A 75 -2.151 11.332 -5.805 1.00 0.00 C ATOM 1147 CD LYS A 75 -1.745 12.708 -6.316 1.00 0.00 C ATOM 1148 CE LYS A 75 -1.175 13.574 -5.203 1.00 0.00 C ATOM 1149 NZ LYS A 75 -0.894 14.961 -5.660 1.00 0.00 N ATOM 0 H LYS A 75 -1.356 9.097 -9.446 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.722 9.817 -7.434 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.948 11.088 -7.777 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.615 9.982 -6.592 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.909 11.440 -5.029 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.291 10.845 -5.345 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.004 12.598 -7.108 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.611 13.203 -6.756 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.878 13.603 -4.371 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.256 13.123 -4.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.523 15.520 -4.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.190 14.938 -6.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.772 15.396 -6.009 1.00 0.00 H new ATOM 1163 N CYS A 76 -0.501 7.789 -6.042 1.00 0.00 N ATOM 1164 CA CYS A 76 -0.376 6.655 -5.151 1.00 0.00 C ATOM 1165 C CYS A 76 -0.012 7.102 -3.753 1.00 0.00 C ATOM 1166 O CYS A 76 0.299 8.268 -3.513 1.00 0.00 O ATOM 1167 CB CYS A 76 0.673 5.660 -5.661 1.00 0.00 C ATOM 1168 SG CYS A 76 0.701 5.452 -7.456 1.00 0.00 S ATOM 0 H CYS A 76 0.381 8.204 -6.344 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.346 6.158 -5.124 1.00 0.00 H new ATOM 0 HB2 CYS A 76 1.658 5.990 -5.331 1.00 0.00 H new ATOM 0 HB3 CYS A 76 0.490 4.690 -5.199 1.00 0.00 H new ATOM 0 HG CYS A 76 1.292 6.473 -8.002 1.00 0.00 H new ATOM 1174 N PHE A 77 -0.100 6.168 -2.837 1.00 0.00 N ATOM 1175 CA PHE A 77 0.228 6.402 -1.459 1.00 0.00 C ATOM 1176 C PHE A 77 0.939 5.184 -0.915 1.00 0.00 C ATOM 1177 O PHE A 77 0.354 4.106 -0.807 1.00 0.00 O ATOM 1178 CB PHE A 77 -1.038 6.706 -0.647 1.00 0.00 C ATOM 1179 CG PHE A 77 -1.683 8.003 -1.033 1.00 0.00 C ATOM 1180 CD1 PHE A 77 -1.128 9.205 -0.633 1.00 0.00 C ATOM 1181 CD2 PHE A 77 -2.828 8.023 -1.809 1.00 0.00 C ATOM 1182 CE1 PHE A 77 -1.696 10.404 -1.003 1.00 0.00 C ATOM 1183 CE2 PHE A 77 -3.405 9.221 -2.176 1.00 0.00 C ATOM 1184 CZ PHE A 77 -2.837 10.413 -1.776 1.00 0.00 C ATOM 0 H PHE A 77 -0.405 5.215 -3.034 1.00 0.00 H new ATOM 0 HA PHE A 77 0.884 7.269 -1.379 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.754 5.896 -0.783 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.786 6.733 0.413 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.237 9.203 -0.022 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.274 7.093 -2.130 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.248 11.335 -0.688 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -4.302 9.226 -2.777 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.285 11.351 -2.068 1.00 0.00 H new ATOM 1194 N PHE A 78 2.209 5.340 -0.618 1.00 0.00 N ATOM 1195 CA PHE A 78 2.989 4.256 -0.072 1.00 0.00 C ATOM 1196 C PHE A 78 2.707 4.197 1.407 1.00 0.00 C ATOM 1197 O PHE A 78 3.250 4.979 2.188 1.00 0.00 O ATOM 1198 CB PHE A 78 4.482 4.474 -0.322 1.00 0.00 C ATOM 1199 CG PHE A 78 5.346 3.323 0.113 1.00 0.00 C ATOM 1200 CD1 PHE A 78 6.102 3.399 1.272 1.00 0.00 C ATOM 1201 CD2 PHE A 78 5.405 2.165 -0.643 1.00 0.00 C ATOM 1202 CE1 PHE A 78 6.899 2.341 1.668 1.00 0.00 C ATOM 1203 CE2 PHE A 78 6.198 1.103 -0.252 1.00 0.00 C ATOM 1204 CZ PHE A 78 6.948 1.192 0.902 1.00 0.00 C ATOM 0 H PHE A 78 2.724 6.211 -0.746 1.00 0.00 H new ATOM 0 HA PHE A 78 2.716 3.318 -0.555 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.640 4.653 -1.386 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.801 5.374 0.203 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.068 4.296 1.873 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.824 2.091 -1.550 1.00 0.00 H new ATOM 0 HE1 PHE A 78 7.482 2.412 2.574 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.230 0.204 -0.850 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.572 0.365 1.206 1.00 0.00 H new ATOM 1214 N ILE A 79 1.817 3.308 1.781 1.00 0.00 N ATOM 1215 CA ILE A 79 1.438 3.173 3.163 1.00 0.00 C ATOM 1216 C ILE A 79 2.093 1.991 3.801 1.00 0.00 C ATOM 1217 O ILE A 79 2.628 1.098 3.148 1.00 0.00 O ATOM 1218 CB ILE A 79 -0.085 3.000 3.358 1.00 0.00 C ATOM 1219 CG1 ILE A 79 -0.487 1.528 3.144 1.00 0.00 C ATOM 1220 CG2 ILE A 79 -0.866 3.925 2.442 1.00 0.00 C ATOM 1221 CD1 ILE A 79 -1.109 1.222 1.800 1.00 0.00 C ATOM 0 H ILE A 79 1.343 2.668 1.144 1.00 0.00 H new ATOM 0 HA ILE A 79 1.764 4.102 3.630 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.333 3.276 4.383 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.398 0.904 3.268 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.190 1.242 3.926 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.934 3.780 2.603 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.604 4.960 2.661 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.622 3.700 1.404 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.357 0.162 1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.016 1.813 1.676 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.403 1.470 1.007 1.00 0.00 H new ATOM 1233 N HIS A 80 2.013 2.017 5.094 1.00 0.00 N ATOM 1234 CA HIS A 80 2.506 0.978 5.923 1.00 0.00 C ATOM 1235 C HIS A 80 1.314 0.527 6.756 1.00 0.00 C ATOM 1236 O HIS A 80 0.874 1.247 7.661 1.00 0.00 O ATOM 1237 CB HIS A 80 3.673 1.524 6.746 1.00 0.00 C ATOM 1238 CG HIS A 80 3.896 0.856 8.057 1.00 0.00 C ATOM 1239 ND1 HIS A 80 4.711 -0.237 8.232 1.00 0.00 N ATOM 1240 CD2 HIS A 80 3.414 1.171 9.265 1.00 0.00 C ATOM 1241 CE1 HIS A 80 4.720 -0.568 9.510 1.00 0.00 C ATOM 1242 NE2 HIS A 80 3.940 0.276 10.166 1.00 0.00 N ATOM 0 H HIS A 80 1.589 2.787 5.611 1.00 0.00 H new ATOM 0 HA HIS A 80 2.903 0.119 5.382 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.584 1.439 6.154 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.506 2.587 6.922 1.00 0.00 H new ATOM 0 HD1 HIS A 80 5.226 -0.716 7.493 1.00 0.00 H new ATOM 0 HD2 HIS A 80 2.736 1.981 9.491 1.00 0.00 H new ATOM 0 HE1 HIS A 80 5.271 -1.388 9.946 1.00 0.00 H new ATOM 1251 N TYR A 81 0.733 -0.600 6.352 1.00 0.00 N ATOM 1252 CA TYR A 81 -0.442 -1.160 7.013 1.00 0.00 C ATOM 1253 C TYR A 81 -0.264 -1.185 8.525 1.00 0.00 C ATOM 1254 O TYR A 81 0.574 -1.912 9.063 1.00 0.00 O ATOM 1255 CB TYR A 81 -0.736 -2.561 6.477 1.00 0.00 C ATOM 1256 CG TYR A 81 -1.384 -2.560 5.111 1.00 0.00 C ATOM 1257 CD1 TYR A 81 -0.730 -3.101 4.016 1.00 0.00 C ATOM 1258 CD2 TYR A 81 -2.645 -2.013 4.915 1.00 0.00 C ATOM 1259 CE1 TYR A 81 -1.311 -3.107 2.764 1.00 0.00 C ATOM 1260 CE2 TYR A 81 -3.238 -2.014 3.663 1.00 0.00 C ATOM 1261 CZ TYR A 81 -2.564 -2.561 2.591 1.00 0.00 C ATOM 1262 OH TYR A 81 -3.147 -2.568 1.345 1.00 0.00 O ATOM 0 H TYR A 81 1.063 -1.150 5.559 1.00 0.00 H new ATOM 0 HA TYR A 81 -1.295 -0.518 6.791 1.00 0.00 H new ATOM 0 HB2 TYR A 81 0.195 -3.126 6.428 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.388 -3.081 7.179 1.00 0.00 H new ATOM 0 HD1 TYR A 81 0.254 -3.527 4.145 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -3.172 -1.580 5.752 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.786 -3.538 1.924 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -4.222 -1.589 3.527 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.118 -3.475 0.975 1.00 0.00 H new ATOM 1272 N GLN A 82 -1.055 -0.364 9.195 1.00 0.00 N ATOM 1273 CA GLN A 82 -1.005 -0.241 10.643 1.00 0.00 C ATOM 1274 C GLN A 82 -1.464 -1.524 11.319 1.00 0.00 C ATOM 1275 O GLN A 82 -2.545 -2.037 11.033 1.00 0.00 O ATOM 1276 CB GLN A 82 -1.872 0.927 11.112 1.00 0.00 C ATOM 1277 CG GLN A 82 -1.479 2.260 10.502 1.00 0.00 C ATOM 1278 CD GLN A 82 -2.212 3.433 11.127 1.00 0.00 C ATOM 1279 OE1 GLN A 82 -1.691 4.547 11.174 1.00 0.00 O ATOM 1280 NE2 GLN A 82 -3.416 3.192 11.620 1.00 0.00 N ATOM 0 H GLN A 82 -1.750 0.236 8.751 1.00 0.00 H new ATOM 0 HA GLN A 82 0.031 -0.053 10.924 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.913 0.717 10.866 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.810 1.002 12.198 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.405 2.405 10.619 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.683 2.239 9.432 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -3.813 2.254 11.561 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -3.947 3.944 12.059 1.00 0.00 H new ATOM 1289 N GLY A 83 -0.629 -2.042 12.208 1.00 0.00 N ATOM 1290 CA GLY A 83 -0.967 -3.252 12.925 1.00 0.00 C ATOM 1291 C GLY A 83 -0.546 -4.507 12.192 1.00 0.00 C ATOM 1292 O GLY A 83 -0.868 -5.617 12.621 1.00 0.00 O ATOM 0 H GLY A 83 0.279 -1.643 12.445 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.491 -3.233 13.905 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.043 -3.280 13.094 1.00 0.00 H new ATOM 1296 N TRP A 84 0.168 -4.343 11.086 1.00 0.00 N ATOM 1297 CA TRP A 84 0.621 -5.487 10.310 1.00 0.00 C ATOM 1298 C TRP A 84 2.128 -5.670 10.431 1.00 0.00 C ATOM 1299 O TRP A 84 2.609 -6.273 11.390 1.00 0.00 O ATOM 1300 CB TRP A 84 0.223 -5.342 8.842 1.00 0.00 C ATOM 1301 CG TRP A 84 -1.191 -5.751 8.561 1.00 0.00 C ATOM 1302 CD1 TRP A 84 -2.205 -4.945 8.144 1.00 0.00 C ATOM 1303 CD2 TRP A 84 -1.747 -7.068 8.678 1.00 0.00 C ATOM 1304 NE1 TRP A 84 -3.357 -5.673 7.988 1.00 0.00 N ATOM 1305 CE2 TRP A 84 -3.102 -6.979 8.310 1.00 0.00 C ATOM 1306 CE3 TRP A 84 -1.233 -8.315 9.058 1.00 0.00 C ATOM 1307 CZ2 TRP A 84 -3.949 -8.086 8.311 1.00 0.00 C ATOM 1308 CZ3 TRP A 84 -2.074 -9.411 9.057 1.00 0.00 C ATOM 1309 CH2 TRP A 84 -3.418 -9.291 8.685 1.00 0.00 C ATOM 0 H TRP A 84 0.444 -3.436 10.709 1.00 0.00 H new ATOM 0 HA TRP A 84 0.134 -6.374 10.715 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.360 -4.304 8.538 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.895 -5.944 8.231 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -2.116 -3.884 7.962 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -4.257 -5.302 7.682 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -0.197 -8.417 9.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -4.987 -7.996 8.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.688 -10.377 9.348 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -4.049 -10.167 8.693 1.00 0.00 H new ATOM 1320 N LYS A 85 2.872 -5.135 9.470 1.00 0.00 N ATOM 1321 CA LYS A 85 4.326 -5.252 9.463 1.00 0.00 C ATOM 1322 C LYS A 85 4.922 -4.296 8.438 1.00 0.00 C ATOM 1323 O LYS A 85 4.188 -3.659 7.684 1.00 0.00 O ATOM 1324 CB LYS A 85 4.737 -6.693 9.132 1.00 0.00 C ATOM 1325 CG LYS A 85 6.118 -7.075 9.639 1.00 0.00 C ATOM 1326 CD LYS A 85 6.062 -7.607 11.063 1.00 0.00 C ATOM 1327 CE LYS A 85 5.357 -8.950 11.125 1.00 0.00 C ATOM 1328 NZ LYS A 85 5.161 -9.410 12.526 1.00 0.00 N ATOM 0 H LYS A 85 2.490 -4.613 8.681 1.00 0.00 H new ATOM 0 HA LYS A 85 4.704 -4.993 10.452 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.003 -7.376 9.559 1.00 0.00 H new ATOM 0 HB3 LYS A 85 4.708 -6.829 8.051 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.551 -7.831 8.984 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.774 -6.206 9.600 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.074 -7.707 11.456 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.542 -6.892 11.700 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.389 -8.875 10.629 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.939 -9.691 10.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.676 -10.330 12.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.086 -9.506 12.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.584 -8.716 13.042 1.00 0.00 H new ATOM 1342 N SER A 86 6.244 -4.193 8.411 1.00 0.00 N ATOM 1343 CA SER A 86 6.932 -3.325 7.466 1.00 0.00 C ATOM 1344 C SER A 86 6.952 -3.974 6.083 1.00 0.00 C ATOM 1345 O SER A 86 7.204 -3.327 5.070 1.00 0.00 O ATOM 1346 CB SER A 86 8.353 -3.071 7.962 1.00 0.00 C ATOM 1347 OG SER A 86 8.668 -3.958 9.025 1.00 0.00 O ATOM 0 H SER A 86 6.865 -4.704 9.038 1.00 0.00 H new ATOM 0 HA SER A 86 6.407 -2.373 7.389 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.061 -3.206 7.144 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.449 -2.039 8.299 1.00 0.00 H new ATOM 0 HG SER A 86 9.582 -3.787 9.334 1.00 0.00 H new ATOM 1353 N SER A 87 6.684 -5.271 6.053 1.00 0.00 N ATOM 1354 CA SER A 87 6.635 -6.017 4.806 1.00 0.00 C ATOM 1355 C SER A 87 5.297 -5.766 4.118 1.00 0.00 C ATOM 1356 O SER A 87 5.056 -6.211 2.992 1.00 0.00 O ATOM 1357 CB SER A 87 6.812 -7.502 5.105 1.00 0.00 C ATOM 1358 OG SER A 87 7.063 -7.697 6.488 1.00 0.00 O ATOM 0 H SER A 87 6.496 -5.831 6.884 1.00 0.00 H new ATOM 0 HA SER A 87 7.436 -5.691 4.142 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.917 -8.049 4.810 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.638 -7.903 4.518 1.00 0.00 H new ATOM 0 HG SER A 87 7.173 -8.654 6.669 1.00 0.00 H new ATOM 1364 N TRP A 88 4.431 -5.043 4.817 1.00 0.00 N ATOM 1365 CA TRP A 88 3.116 -4.711 4.311 1.00 0.00 C ATOM 1366 C TRP A 88 3.121 -3.318 3.706 1.00 0.00 C ATOM 1367 O TRP A 88 2.094 -2.828 3.245 1.00 0.00 O ATOM 1368 CB TRP A 88 2.070 -4.806 5.423 1.00 0.00 C ATOM 1369 CG TRP A 88 1.655 -6.215 5.716 1.00 0.00 C ATOM 1370 CD1 TRP A 88 2.263 -7.085 6.568 1.00 0.00 C ATOM 1371 CD2 TRP A 88 0.539 -6.913 5.155 1.00 0.00 C ATOM 1372 NE1 TRP A 88 1.596 -8.284 6.572 1.00 0.00 N ATOM 1373 CE2 TRP A 88 0.535 -8.206 5.708 1.00 0.00 C ATOM 1374 CE3 TRP A 88 -0.455 -6.570 4.233 1.00 0.00 C ATOM 1375 CZ2 TRP A 88 -0.432 -9.154 5.373 1.00 0.00 C ATOM 1376 CZ3 TRP A 88 -1.410 -7.511 3.900 1.00 0.00 C ATOM 1377 CH2 TRP A 88 -1.392 -8.791 4.467 1.00 0.00 C ATOM 0 H TRP A 88 4.625 -4.674 5.748 1.00 0.00 H new ATOM 0 HA TRP A 88 2.855 -5.429 3.533 1.00 0.00 H new ATOM 0 HB2 TRP A 88 2.470 -4.355 6.331 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.192 -4.226 5.139 1.00 0.00 H new ATOM 0 HD1 TRP A 88 3.142 -6.864 7.155 1.00 0.00 H new ATOM 0 HE1 TRP A 88 1.849 -9.101 7.128 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -0.476 -5.586 3.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -0.424 -10.140 5.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -2.183 -7.255 3.191 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -2.150 -9.506 4.184 1.00 0.00 H new ATOM 1388 N ASP A 89 4.285 -2.683 3.722 1.00 0.00 N ATOM 1389 CA ASP A 89 4.441 -1.352 3.151 1.00 0.00 C ATOM 1390 C ASP A 89 4.275 -1.446 1.640 1.00 0.00 C ATOM 1391 O ASP A 89 5.192 -1.852 0.923 1.00 0.00 O ATOM 1392 CB ASP A 89 5.812 -0.753 3.505 1.00 0.00 C ATOM 1393 CG ASP A 89 6.044 -0.580 5.004 1.00 0.00 C ATOM 1394 OD1 ASP A 89 5.222 -1.065 5.815 1.00 0.00 O ATOM 1395 OD2 ASP A 89 7.070 0.026 5.380 1.00 0.00 O ATOM 0 H ASP A 89 5.138 -3.070 4.126 1.00 0.00 H new ATOM 0 HA ASP A 89 3.680 -0.692 3.568 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.594 -1.395 3.098 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.910 0.217 3.018 1.00 0.00 H new ATOM 1400 N GLU A 90 3.092 -1.096 1.165 1.00 0.00 N ATOM 1401 CA GLU A 90 2.778 -1.184 -0.251 1.00 0.00 C ATOM 1402 C GLU A 90 2.244 0.131 -0.798 1.00 0.00 C ATOM 1403 O GLU A 90 1.932 1.059 -0.052 1.00 0.00 O ATOM 1404 CB GLU A 90 1.748 -2.288 -0.478 1.00 0.00 C ATOM 1405 CG GLU A 90 2.323 -3.693 -0.382 1.00 0.00 C ATOM 1406 CD GLU A 90 2.925 -4.156 -1.689 1.00 0.00 C ATOM 1407 OE1 GLU A 90 3.976 -4.832 -1.664 1.00 0.00 O ATOM 1408 OE2 GLU A 90 2.339 -3.857 -2.750 1.00 0.00 O ATOM 0 H GLU A 90 2.328 -0.746 1.744 1.00 0.00 H new ATOM 0 HA GLU A 90 3.701 -1.414 -0.783 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.948 -2.182 0.255 1.00 0.00 H new ATOM 0 HB3 GLU A 90 1.298 -2.156 -1.462 1.00 0.00 H new ATOM 0 HG2 GLU A 90 3.086 -3.719 0.396 1.00 0.00 H new ATOM 0 HG3 GLU A 90 1.537 -4.385 -0.081 1.00 0.00 H new ATOM 1415 N TRP A 91 2.141 0.190 -2.116 1.00 0.00 N ATOM 1416 CA TRP A 91 1.638 1.367 -2.802 1.00 0.00 C ATOM 1417 C TRP A 91 0.157 1.205 -3.113 1.00 0.00 C ATOM 1418 O TRP A 91 -0.239 0.228 -3.750 1.00 0.00 O ATOM 1419 CB TRP A 91 2.369 1.575 -4.130 1.00 0.00 C ATOM 1420 CG TRP A 91 3.739 2.168 -4.034 1.00 0.00 C ATOM 1421 CD1 TRP A 91 4.925 1.497 -4.116 1.00 0.00 C ATOM 1422 CD2 TRP A 91 4.073 3.557 -3.879 1.00 0.00 C ATOM 1423 NE1 TRP A 91 5.971 2.380 -4.037 1.00 0.00 N ATOM 1424 CE2 TRP A 91 5.476 3.648 -3.887 1.00 0.00 C ATOM 1425 CE3 TRP A 91 3.326 4.733 -3.736 1.00 0.00 C ATOM 1426 CZ2 TRP A 91 6.143 4.866 -3.764 1.00 0.00 C ATOM 1427 CZ3 TRP A 91 3.998 5.939 -3.614 1.00 0.00 C ATOM 1428 CH2 TRP A 91 5.390 5.993 -3.630 1.00 0.00 C ATOM 0 H TRP A 91 2.403 -0.575 -2.738 1.00 0.00 H new ATOM 0 HA TRP A 91 1.801 2.222 -2.145 1.00 0.00 H new ATOM 0 HB2 TRP A 91 2.445 0.612 -4.636 1.00 0.00 H new ATOM 0 HB3 TRP A 91 1.758 2.220 -4.762 1.00 0.00 H new ATOM 0 HD1 TRP A 91 5.025 0.427 -4.227 1.00 0.00 H new ATOM 0 HE1 TRP A 91 6.959 2.132 -4.083 1.00 0.00 H new ATOM 0 HE3 TRP A 91 2.247 4.701 -3.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 7.222 4.914 -3.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 3.433 6.853 -3.505 1.00 0.00 H new ATOM 0 HH2 TRP A 91 5.883 6.949 -3.534 1.00 0.00 H new ATOM 1439 N VAL A 92 -0.660 2.136 -2.654 1.00 0.00 N ATOM 1440 CA VAL A 92 -2.080 2.107 -2.957 1.00 0.00 C ATOM 1441 C VAL A 92 -2.436 3.363 -3.727 1.00 0.00 C ATOM 1442 O VAL A 92 -1.669 4.312 -3.736 1.00 0.00 O ATOM 1443 CB VAL A 92 -2.971 2.000 -1.704 1.00 0.00 C ATOM 1444 CG1 VAL A 92 -2.850 0.623 -1.081 1.00 0.00 C ATOM 1445 CG2 VAL A 92 -2.635 3.087 -0.696 1.00 0.00 C ATOM 0 H VAL A 92 -0.366 2.920 -2.071 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.270 1.211 -3.548 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.007 2.146 -2.012 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.486 0.566 -0.198 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.163 -0.132 -1.803 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.814 0.443 -0.794 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.280 2.986 0.177 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.593 2.991 -0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.791 4.065 -1.150 1.00 0.00 H new ATOM 1455 N GLY A 93 -3.581 3.374 -4.375 1.00 0.00 N ATOM 1456 CA GLY A 93 -3.973 4.545 -5.135 1.00 0.00 C ATOM 1457 C GLY A 93 -5.339 5.030 -4.725 1.00 0.00 C ATOM 1458 O GLY A 93 -6.054 4.301 -4.051 1.00 0.00 O ATOM 0 H GLY A 93 -4.247 2.602 -4.393 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.242 5.340 -4.986 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.973 4.308 -6.199 1.00 0.00 H new ATOM 1462 N TYR A 94 -5.714 6.235 -5.152 1.00 0.00 N ATOM 1463 CA TYR A 94 -7.026 6.840 -4.830 1.00 0.00 C ATOM 1464 C TYR A 94 -8.195 5.930 -5.179 1.00 0.00 C ATOM 1465 O TYR A 94 -9.335 6.156 -4.769 1.00 0.00 O ATOM 1466 CB TYR A 94 -7.201 8.128 -5.612 1.00 0.00 C ATOM 1467 CG TYR A 94 -6.687 9.346 -4.910 1.00 0.00 C ATOM 1468 CD1 TYR A 94 -5.903 10.258 -5.584 1.00 0.00 C ATOM 1469 CD2 TYR A 94 -6.984 9.579 -3.582 1.00 0.00 C ATOM 1470 CE1 TYR A 94 -5.424 11.381 -4.953 1.00 0.00 C ATOM 1471 CE2 TYR A 94 -6.510 10.695 -2.937 1.00 0.00 C ATOM 1472 CZ TYR A 94 -5.729 11.600 -3.625 1.00 0.00 C ATOM 1473 OH TYR A 94 -5.254 12.723 -2.985 1.00 0.00 O ATOM 0 H TYR A 94 -5.122 6.829 -5.733 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.029 7.016 -3.754 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.689 8.031 -6.570 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -8.260 8.267 -5.829 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.662 10.087 -6.623 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -7.598 8.873 -3.042 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.812 12.088 -5.493 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -6.747 10.863 -1.897 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.562 12.724 -2.055 1.00 0.00 H new ATOM 1483 N ASP A 95 -7.888 4.907 -5.925 1.00 0.00 N ATOM 1484 CA ASP A 95 -8.884 3.952 -6.389 1.00 0.00 C ATOM 1485 C ASP A 95 -9.100 2.852 -5.366 1.00 0.00 C ATOM 1486 O ASP A 95 -10.165 2.244 -5.308 1.00 0.00 O ATOM 1487 CB ASP A 95 -8.455 3.343 -7.730 1.00 0.00 C ATOM 1488 CG ASP A 95 -9.458 2.342 -8.268 1.00 0.00 C ATOM 1489 OD1 ASP A 95 -9.271 1.129 -8.051 1.00 0.00 O ATOM 1490 OD2 ASP A 95 -10.437 2.768 -8.918 1.00 0.00 O ATOM 0 H ASP A 95 -6.939 4.701 -6.236 1.00 0.00 H new ATOM 0 HA ASP A 95 -9.825 4.485 -6.525 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -8.318 4.141 -8.459 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.489 2.853 -7.609 1.00 0.00 H new ATOM 1495 N ARG A 96 -8.100 2.614 -4.532 1.00 0.00 N ATOM 1496 CA ARG A 96 -8.206 1.567 -3.532 1.00 0.00 C ATOM 1497 C ARG A 96 -7.993 2.137 -2.139 1.00 0.00 C ATOM 1498 O ARG A 96 -8.228 1.465 -1.143 1.00 0.00 O ATOM 1499 CB ARG A 96 -7.199 0.449 -3.820 1.00 0.00 C ATOM 1500 CG ARG A 96 -7.640 -0.496 -4.932 1.00 0.00 C ATOM 1501 CD ARG A 96 -6.687 -0.457 -6.117 1.00 0.00 C ATOM 1502 NE ARG A 96 -7.379 -0.685 -7.381 1.00 0.00 N ATOM 1503 CZ ARG A 96 -6.894 -1.406 -8.392 1.00 0.00 C ATOM 1504 NH1 ARG A 96 -5.685 -1.955 -8.312 1.00 0.00 N ATOM 1505 NH2 ARG A 96 -7.626 -1.571 -9.485 1.00 0.00 N ATOM 0 H ARG A 96 -7.217 3.125 -4.528 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.210 1.144 -3.578 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.242 0.894 -4.091 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.036 -0.126 -2.909 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -7.696 -1.513 -4.544 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -8.643 -0.225 -5.263 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -6.185 0.510 -6.147 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -5.913 -1.213 -5.985 1.00 0.00 H new ATOM 0 HE ARG A 96 -8.300 -0.263 -7.500 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -5.121 -1.826 -7.472 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.322 -2.505 -9.091 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -8.552 -1.148 -9.547 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -7.263 -2.121 -10.264 1.00 0.00 H new ATOM 1519 N ILE A 97 -7.546 3.378 -2.075 1.00 0.00 N ATOM 1520 CA ILE A 97 -7.314 4.026 -0.805 1.00 0.00 C ATOM 1521 C ILE A 97 -8.528 4.867 -0.417 1.00 0.00 C ATOM 1522 O ILE A 97 -9.180 5.480 -1.269 1.00 0.00 O ATOM 1523 CB ILE A 97 -6.037 4.905 -0.829 1.00 0.00 C ATOM 1524 CG1 ILE A 97 -5.621 5.260 0.582 1.00 0.00 C ATOM 1525 CG2 ILE A 97 -6.253 6.168 -1.625 1.00 0.00 C ATOM 1526 CD1 ILE A 97 -4.547 6.324 0.667 1.00 0.00 C ATOM 0 H ILE A 97 -7.337 3.954 -2.890 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.160 3.247 -0.059 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.247 4.328 -1.309 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.498 5.601 1.132 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.263 4.359 1.080 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -5.339 6.761 -1.622 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.515 5.911 -2.651 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.062 6.746 -1.178 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -4.309 6.518 1.713 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.652 5.980 0.149 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.906 7.242 0.201 1.00 0.00 H new ATOM 1538 N ARG A 98 -8.838 4.862 0.863 1.00 0.00 N ATOM 1539 CA ARG A 98 -9.961 5.607 1.393 1.00 0.00 C ATOM 1540 C ARG A 98 -9.491 6.516 2.517 1.00 0.00 C ATOM 1541 O ARG A 98 -8.298 6.586 2.803 1.00 0.00 O ATOM 1542 CB ARG A 98 -11.043 4.650 1.904 1.00 0.00 C ATOM 1543 CG ARG A 98 -11.643 3.766 0.818 1.00 0.00 C ATOM 1544 CD ARG A 98 -12.106 4.578 -0.388 1.00 0.00 C ATOM 1545 NE ARG A 98 -12.987 5.684 -0.010 1.00 0.00 N ATOM 1546 CZ ARG A 98 -12.798 6.950 -0.385 1.00 0.00 C ATOM 1547 NH1 ARG A 98 -11.742 7.271 -1.130 1.00 0.00 N ATOM 1548 NH2 ARG A 98 -13.658 7.890 -0.013 1.00 0.00 N ATOM 0 H ARG A 98 -8.317 4.340 1.567 1.00 0.00 H new ATOM 0 HA ARG A 98 -10.388 6.217 0.596 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -10.617 4.016 2.681 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -11.840 5.231 2.368 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -10.904 3.032 0.499 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.487 3.211 1.227 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -11.236 4.973 -0.913 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -12.628 3.923 -1.085 1.00 0.00 H new ATOM 0 HE ARG A 98 -13.795 5.474 0.576 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.079 6.549 -1.413 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.596 8.239 -1.418 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -14.465 7.645 0.561 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -13.512 8.858 -0.301 1.00 0.00 H new ATOM 1562 N ALA A 99 -10.424 7.182 3.171 1.00 0.00 N ATOM 1563 CA ALA A 99 -10.098 8.077 4.242 1.00 0.00 C ATOM 1564 C ALA A 99 -10.317 7.359 5.540 1.00 0.00 C ATOM 1565 O ALA A 99 -11.268 6.601 5.686 1.00 0.00 O ATOM 1566 CB ALA A 99 -10.962 9.331 4.202 1.00 0.00 C ATOM 0 H ALA A 99 -11.421 7.112 2.969 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.058 8.387 4.140 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.689 9.988 5.028 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.805 9.851 3.257 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.012 9.052 4.292 1.00 0.00 H new ATOM 1572 N TYR A 100 -9.440 7.567 6.468 1.00 0.00 N ATOM 1573 CA TYR A 100 -9.572 6.935 7.745 1.00 0.00 C ATOM 1574 C TYR A 100 -10.348 7.859 8.662 1.00 0.00 C ATOM 1575 O TYR A 100 -9.810 8.817 9.219 1.00 0.00 O ATOM 1576 CB TYR A 100 -8.182 6.631 8.253 1.00 0.00 C ATOM 1577 CG TYR A 100 -8.087 6.055 9.651 1.00 0.00 C ATOM 1578 CD1 TYR A 100 -7.716 4.732 9.837 1.00 0.00 C ATOM 1579 CD2 TYR A 100 -8.353 6.822 10.778 1.00 0.00 C ATOM 1580 CE1 TYR A 100 -7.612 4.191 11.102 1.00 0.00 C ATOM 1581 CE2 TYR A 100 -8.252 6.290 12.045 1.00 0.00 C ATOM 1582 CZ TYR A 100 -7.883 4.974 12.204 1.00 0.00 C ATOM 1583 OH TYR A 100 -7.782 4.439 13.468 1.00 0.00 O ATOM 0 H TYR A 100 -8.623 8.170 6.368 1.00 0.00 H new ATOM 0 HA TYR A 100 -10.124 5.997 7.691 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -7.711 5.931 7.562 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -7.598 7.551 8.222 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -7.505 4.114 8.977 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -8.645 7.855 10.659 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -7.320 3.159 11.228 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -8.461 6.903 12.909 1.00 0.00 H new ATOM 0 HH TYR A 100 -8.005 5.124 14.132 1.00 0.00 H new ATOM 1593 N ASN A 101 -11.627 7.581 8.769 1.00 0.00 N ATOM 1594 CA ASN A 101 -12.519 8.359 9.597 1.00 0.00 C ATOM 1595 C ASN A 101 -13.666 7.478 10.053 1.00 0.00 C ATOM 1596 O ASN A 101 -13.801 6.342 9.601 1.00 0.00 O ATOM 1597 CB ASN A 101 -13.039 9.588 8.841 1.00 0.00 C ATOM 1598 CG ASN A 101 -13.574 9.266 7.461 1.00 0.00 C ATOM 1599 OD1 ASN A 101 -14.298 8.294 7.272 1.00 0.00 O ATOM 1600 ND2 ASN A 101 -13.207 10.078 6.483 1.00 0.00 N ATOM 0 H ASN A 101 -12.079 6.807 8.283 1.00 0.00 H new ATOM 0 HA ASN A 101 -11.975 8.722 10.469 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -13.828 10.059 9.427 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -12.233 10.316 8.749 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -13.528 9.906 5.530 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -12.604 10.876 6.682 1.00 0.00 H new ATOM 1607 N GLU A 102 -14.523 8.020 10.884 1.00 0.00 N ATOM 1608 CA GLU A 102 -15.640 7.266 11.446 1.00 0.00 C ATOM 1609 C GLU A 102 -16.725 6.976 10.406 1.00 0.00 C ATOM 1610 O GLU A 102 -17.697 6.275 10.684 1.00 0.00 O ATOM 1611 CB GLU A 102 -16.223 8.025 12.639 1.00 0.00 C ATOM 1612 CG GLU A 102 -15.228 8.187 13.780 1.00 0.00 C ATOM 1613 CD GLU A 102 -15.227 9.579 14.372 1.00 0.00 C ATOM 1614 OE1 GLU A 102 -15.896 9.792 15.405 1.00 0.00 O ATOM 1615 OE2 GLU A 102 -14.549 10.467 13.812 1.00 0.00 O ATOM 0 H GLU A 102 -14.475 8.990 11.194 1.00 0.00 H new ATOM 0 HA GLU A 102 -15.259 6.301 11.779 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -16.555 9.010 12.310 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -17.104 7.497 13.004 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -15.461 7.466 14.563 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -14.227 7.952 13.418 1.00 0.00 H new ATOM 1622 N GLU A 103 -16.548 7.512 9.213 1.00 0.00 N ATOM 1623 CA GLU A 103 -17.514 7.331 8.141 1.00 0.00 C ATOM 1624 C GLU A 103 -17.102 6.201 7.195 1.00 0.00 C ATOM 1625 O GLU A 103 -17.945 5.451 6.699 1.00 0.00 O ATOM 1626 CB GLU A 103 -17.649 8.639 7.367 1.00 0.00 C ATOM 1627 CG GLU A 103 -18.960 8.785 6.621 1.00 0.00 C ATOM 1628 CD GLU A 103 -19.465 10.208 6.641 1.00 0.00 C ATOM 1629 OE1 GLU A 103 -20.285 10.536 7.525 1.00 0.00 O ATOM 1630 OE2 GLU A 103 -19.020 11.017 5.797 1.00 0.00 O ATOM 0 H GLU A 103 -15.740 8.080 8.959 1.00 0.00 H new ATOM 0 HA GLU A 103 -18.472 7.055 8.581 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -17.544 9.472 8.062 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -16.828 8.713 6.654 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -18.828 8.461 5.589 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -19.707 8.129 7.068 1.00 0.00 H new ATOM 1637 N ASN A 104 -15.803 6.066 6.971 1.00 0.00 N ATOM 1638 CA ASN A 104 -15.273 5.058 6.060 1.00 0.00 C ATOM 1639 C ASN A 104 -14.938 3.774 6.797 1.00 0.00 C ATOM 1640 O ASN A 104 -15.142 2.675 6.271 1.00 0.00 O ATOM 1641 CB ASN A 104 -14.030 5.608 5.365 1.00 0.00 C ATOM 1642 CG ASN A 104 -13.975 5.264 3.891 1.00 0.00 C ATOM 1643 OD1 ASN A 104 -13.740 6.133 3.049 1.00 0.00 O ATOM 1644 ND2 ASN A 104 -14.162 4.000 3.570 1.00 0.00 N ATOM 0 H ASN A 104 -15.090 6.647 7.411 1.00 0.00 H new ATOM 0 HA ASN A 104 -16.035 4.825 5.317 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -14.005 6.692 5.481 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -13.141 5.214 5.858 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -14.115 3.709 2.593 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -14.354 3.312 4.298 1.00 0.00 H new ATOM 1651 N ILE A 105 -14.430 3.913 8.012 1.00 0.00 N ATOM 1652 CA ILE A 105 -14.084 2.760 8.829 1.00 0.00 C ATOM 1653 C ILE A 105 -15.346 2.030 9.231 1.00 0.00 C ATOM 1654 O ILE A 105 -15.328 0.832 9.510 1.00 0.00 O ATOM 1655 CB ILE A 105 -13.344 3.169 10.093 1.00 0.00 C ATOM 1656 CG1 ILE A 105 -12.085 3.937 9.739 1.00 0.00 C ATOM 1657 CG2 ILE A 105 -12.997 1.953 10.936 1.00 0.00 C ATOM 1658 CD1 ILE A 105 -11.404 4.508 10.940 1.00 0.00 C ATOM 0 H ILE A 105 -14.248 4.814 8.454 1.00 0.00 H new ATOM 0 HA ILE A 105 -13.434 2.118 8.235 1.00 0.00 H new ATOM 0 HB ILE A 105 -14.000 3.814 10.678 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -11.395 3.275 9.215 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -12.337 4.744 9.051 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.468 2.272 11.834 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -13.912 1.433 11.219 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -12.361 1.281 10.360 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.509 5.047 10.629 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -12.081 5.193 11.451 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.124 3.701 11.618 1.00 0.00 H new ATOM 1670 N ALA A 106 -16.448 2.774 9.231 1.00 0.00 N ATOM 1671 CA ALA A 106 -17.743 2.229 9.589 1.00 0.00 C ATOM 1672 C ALA A 106 -18.053 1.034 8.708 1.00 0.00 C ATOM 1673 O ALA A 106 -18.710 0.085 9.133 1.00 0.00 O ATOM 1674 CB ALA A 106 -18.813 3.302 9.464 1.00 0.00 C ATOM 0 H ALA A 106 -16.464 3.764 8.984 1.00 0.00 H new ATOM 0 HA ALA A 106 -17.726 1.894 10.626 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -19.782 2.883 9.735 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -18.577 4.131 10.131 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -18.848 3.663 8.436 1.00 0.00 H new ATOM 1680 N MET A 107 -17.541 1.076 7.481 1.00 0.00 N ATOM 1681 CA MET A 107 -17.737 -0.021 6.557 1.00 0.00 C ATOM 1682 C MET A 107 -16.780 -1.134 6.917 1.00 0.00 C ATOM 1683 O MET A 107 -17.184 -2.272 7.009 1.00 0.00 O ATOM 1684 CB MET A 107 -17.501 0.400 5.108 1.00 0.00 C ATOM 1685 CG MET A 107 -18.357 -0.348 4.107 1.00 0.00 C ATOM 1686 SD MET A 107 -20.065 -0.553 4.644 1.00 0.00 S ATOM 1687 CE MET A 107 -20.724 1.082 4.323 1.00 0.00 C ATOM 0 H MET A 107 -16.993 1.853 7.112 1.00 0.00 H new ATOM 0 HA MET A 107 -18.772 -0.354 6.638 1.00 0.00 H new ATOM 0 HB2 MET A 107 -17.697 1.468 5.013 1.00 0.00 H new ATOM 0 HB3 MET A 107 -16.451 0.246 4.861 1.00 0.00 H new ATOM 0 HG2 MET A 107 -18.344 0.186 3.157 1.00 0.00 H new ATOM 0 HG3 MET A 107 -17.919 -1.330 3.927 1.00 0.00 H new ATOM 0 HE1 MET A 107 -21.776 1.112 4.606 1.00 0.00 H new ATOM 0 HE2 MET A 107 -20.171 1.818 4.906 1.00 0.00 H new ATOM 0 HE3 MET A 107 -20.627 1.312 3.262 1.00 0.00 H new ATOM 1697 N LYS A 108 -15.509 -0.778 7.157 1.00 0.00 N ATOM 1698 CA LYS A 108 -14.464 -1.740 7.503 1.00 0.00 C ATOM 1699 C LYS A 108 -14.888 -2.621 8.670 1.00 0.00 C ATOM 1700 O LYS A 108 -14.601 -3.815 8.690 1.00 0.00 O ATOM 1701 CB LYS A 108 -13.165 -1.004 7.843 1.00 0.00 C ATOM 1702 CG LYS A 108 -11.947 -1.910 7.879 1.00 0.00 C ATOM 1703 CD LYS A 108 -11.521 -2.249 9.300 1.00 0.00 C ATOM 1704 CE LYS A 108 -10.631 -1.168 9.889 1.00 0.00 C ATOM 1705 NZ LYS A 108 -9.932 -1.639 11.111 1.00 0.00 N ATOM 0 H LYS A 108 -15.181 0.187 7.115 1.00 0.00 H new ATOM 0 HA LYS A 108 -14.297 -2.383 6.639 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -13.000 -0.216 7.108 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -13.275 -0.518 8.812 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -12.166 -2.831 7.338 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -11.120 -1.424 7.360 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -12.405 -2.374 9.925 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -10.990 -3.201 9.304 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -9.896 -0.857 9.146 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -11.233 -0.291 10.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -9.796 -0.840 11.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -10.503 -2.373 11.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.006 -2.034 10.851 1.00 0.00 H new ATOM 1719 N LYS A 109 -15.560 -2.018 9.636 1.00 0.00 N ATOM 1720 CA LYS A 109 -16.053 -2.754 10.805 1.00 0.00 C ATOM 1721 C LYS A 109 -17.019 -3.838 10.355 1.00 0.00 C ATOM 1722 O LYS A 109 -16.861 -5.018 10.683 1.00 0.00 O ATOM 1723 CB LYS A 109 -16.775 -1.826 11.789 1.00 0.00 C ATOM 1724 CG LYS A 109 -15.990 -0.591 12.181 1.00 0.00 C ATOM 1725 CD LYS A 109 -14.743 -0.937 12.979 1.00 0.00 C ATOM 1726 CE LYS A 109 -14.536 0.040 14.125 1.00 0.00 C ATOM 1727 NZ LYS A 109 -13.322 -0.281 14.922 1.00 0.00 N ATOM 0 H LYS A 109 -15.780 -1.022 9.641 1.00 0.00 H new ATOM 0 HA LYS A 109 -15.193 -3.194 11.309 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -17.721 -1.514 11.347 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -17.015 -2.390 12.691 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -15.705 -0.043 11.283 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -16.625 0.070 12.770 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -14.829 -1.950 13.372 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -13.872 -0.922 12.323 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -14.451 1.051 13.728 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.410 0.025 14.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -13.220 0.410 15.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -13.413 -1.236 15.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -12.483 -0.242 14.308 1.00 0.00 H new ATOM 1741 N ARG A 110 -18.020 -3.420 9.598 1.00 0.00 N ATOM 1742 CA ARG A 110 -19.017 -4.335 9.063 1.00 0.00 C ATOM 1743 C ARG A 110 -18.367 -5.271 8.063 1.00 0.00 C ATOM 1744 O ARG A 110 -18.759 -6.414 7.912 1.00 0.00 O ATOM 1745 CB ARG A 110 -20.119 -3.534 8.369 1.00 0.00 C ATOM 1746 CG ARG A 110 -21.246 -4.378 7.791 1.00 0.00 C ATOM 1747 CD ARG A 110 -22.053 -3.607 6.752 1.00 0.00 C ATOM 1748 NE ARG A 110 -22.616 -4.500 5.753 1.00 0.00 N ATOM 1749 CZ ARG A 110 -22.845 -4.171 4.487 1.00 0.00 C ATOM 1750 NH1 ARG A 110 -22.668 -2.929 4.063 1.00 0.00 N ATOM 1751 NH2 ARG A 110 -23.262 -5.097 3.643 1.00 0.00 N ATOM 0 H ARG A 110 -18.165 -2.444 9.338 1.00 0.00 H new ATOM 0 HA ARG A 110 -19.446 -4.919 9.877 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -20.541 -2.827 9.083 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -19.673 -2.947 7.566 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -20.830 -5.277 7.335 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -21.906 -4.704 8.595 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -22.855 -3.058 7.245 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -21.414 -2.870 6.266 1.00 0.00 H new ATOM 0 HE ARG A 110 -22.852 -5.448 6.046 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -22.351 -2.209 4.712 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -22.848 -2.693 3.087 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -23.405 -6.054 3.966 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -23.441 -4.855 2.668 1.00 0.00 H new ATOM 1765 N LEU A 111 -17.363 -4.753 7.406 1.00 0.00 N ATOM 1766 CA LEU A 111 -16.622 -5.462 6.394 1.00 0.00 C ATOM 1767 C LEU A 111 -15.802 -6.593 6.958 1.00 0.00 C ATOM 1768 O LEU A 111 -15.820 -7.690 6.419 1.00 0.00 O ATOM 1769 CB LEU A 111 -15.738 -4.469 5.670 1.00 0.00 C ATOM 1770 CG LEU A 111 -16.410 -3.857 4.470 1.00 0.00 C ATOM 1771 CD1 LEU A 111 -15.736 -2.565 4.061 1.00 0.00 C ATOM 1772 CD2 LEU A 111 -16.461 -4.799 3.300 1.00 0.00 C ATOM 0 H LEU A 111 -17.029 -3.802 7.563 1.00 0.00 H new ATOM 0 HA LEU A 111 -17.330 -5.920 5.704 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -15.447 -3.678 6.361 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -14.822 -4.968 5.353 1.00 0.00 H new ATOM 0 HG LEU A 111 -17.435 -3.642 4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -16.245 -2.148 3.192 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -15.783 -1.853 4.885 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -14.693 -2.762 3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -16.955 -4.310 2.460 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -15.447 -5.077 3.012 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -17.018 -5.694 3.577 1.00 0.00 H new ATOM 1784 N ALA A 112 -15.107 -6.352 8.050 1.00 0.00 N ATOM 1785 CA ALA A 112 -14.286 -7.387 8.631 1.00 0.00 C ATOM 1786 C ALA A 112 -15.160 -8.437 9.278 1.00 0.00 C ATOM 1787 O ALA A 112 -14.707 -9.540 9.579 1.00 0.00 O ATOM 1788 CB ALA A 112 -13.288 -6.802 9.614 1.00 0.00 C ATOM 0 H ALA A 112 -15.095 -5.461 8.546 1.00 0.00 H new ATOM 0 HA ALA A 112 -13.710 -7.867 7.840 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -12.682 -7.603 10.037 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -12.642 -6.092 9.097 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -13.823 -6.290 10.414 1.00 0.00 H new ATOM 1794 N ASN A 113 -16.421 -8.096 9.481 1.00 0.00 N ATOM 1795 CA ASN A 113 -17.351 -9.038 10.051 1.00 0.00 C ATOM 1796 C ASN A 113 -18.156 -9.704 8.937 1.00 0.00 C ATOM 1797 O ASN A 113 -18.441 -10.886 9.015 1.00 0.00 O ATOM 1798 CB ASN A 113 -18.259 -8.366 11.102 1.00 0.00 C ATOM 1799 CG ASN A 113 -19.735 -8.319 10.730 1.00 0.00 C ATOM 1800 OD1 ASN A 113 -20.214 -7.135 10.387 1.00 0.00 O flip ATOM 1801 ND2 ASN A 113 -20.441 -9.327 10.794 1.00 0.00 N flip ATOM 0 H ASN A 113 -16.816 -7.182 9.260 1.00 0.00 H new ATOM 0 HA ASN A 113 -16.793 -9.813 10.577 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -18.153 -8.898 12.047 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -17.907 -7.348 11.268 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -20.030 -10.221 11.063 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -21.436 -9.267 10.578 1.00 0.00 H new