USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 581 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 88 HIS :FLIP no HD1:sc= -2.18 F(o=-3.9,f=-2.5) USER MOD Set 1.2: A 89 ASN :FLIP amide:sc= -0.303 F(o=-5.8,f=-2.5) USER MOD Set 2.1: A 75 MET CE :methyl -153:sc= -0.195 (180deg=0) USER MOD Set 2.2: A 79 MET CE :methyl 161:sc= -9.06! (180deg=-8.71!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 14 GLN :FLIP amide:sc= -0.493 F(o=-1.9,f=-0.49) USER MOD Single : A 15 MET CE :methyl -109:sc= -7.58! (180deg=-13.5!) USER MOD Single : A 20 MET CE :methyl -139:sc= -9.49! (180deg=-14.1!) USER MOD Single : A 22 ASN : amide:sc= -1.88! C(o=-1.9!,f=-2.5!) USER MOD Single : A 23 HIS : no HD1:sc= -2.94 K(o=-2.9,f=-4.6!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0.253 K(o=0.25,f=-1.8!) USER MOD Single : A 49 GLN : amide:sc=-0.00722 X(o=-0.0072,f=-0.077) USER MOD Single : A 53 MET CE :methyl -158:sc= 0 (180deg=-0.533) USER MOD Single : A 54 GLN : amide:sc= -1.91 X(o=-1.9,f=-2.2) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -170:sc= -4.5! (180deg=-5.03!) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -112:sc= -4.52! (180deg=-11.3!) USER MOD Single : A 72 ASN : amide:sc= -0.597 X(o=-0.6,f=-0.41) USER MOD Single : A 82 GLN : amide:sc= -0.403 X(o=-0.4,f=0) USER MOD Single : A 84 MET CE :methyl -131:sc= -3.56! (180deg=-9.11!) USER MOD Single : A 85 SER OG : rot -39:sc= 0.199 USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= 0.949 K(o=0.95,f=-0.086) USER MOD Single : A 97 MET CE :methyl -176:sc= -0.0298 (180deg=-0.0395) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 145 N CYS A 11 6.404 -9.426 -6.905 1.00 0.00 N ATOM 146 CA CYS A 11 5.094 -8.847 -6.637 1.00 0.00 C ATOM 147 C CYS A 11 5.180 -7.341 -6.666 1.00 0.00 C ATOM 148 O CYS A 11 4.354 -6.745 -7.291 1.00 0.00 O ATOM 149 CB CYS A 11 4.571 -9.271 -5.290 1.00 0.00 C ATOM 150 SG CYS A 11 4.432 -11.052 -5.024 1.00 0.00 S ATOM 0 HA CYS A 11 4.413 -9.204 -7.410 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.224 -8.858 -4.521 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.587 -8.824 -5.146 1.00 0.00 H new ATOM 155 N TYR A 12 6.271 -6.763 -6.139 1.00 0.00 N ATOM 156 CA TYR A 12 6.576 -5.352 -6.246 1.00 0.00 C ATOM 157 C TYR A 12 6.352 -4.775 -7.638 1.00 0.00 C ATOM 158 O TYR A 12 5.573 -3.862 -7.792 1.00 0.00 O ATOM 159 CB TYR A 12 8.047 -5.180 -5.889 1.00 0.00 C ATOM 160 CG TYR A 12 8.579 -3.797 -6.151 1.00 0.00 C ATOM 161 CD1 TYR A 12 8.024 -2.687 -5.506 1.00 0.00 C ATOM 162 CD2 TYR A 12 9.620 -3.581 -7.066 1.00 0.00 C ATOM 163 CE1 TYR A 12 8.521 -1.409 -5.747 1.00 0.00 C ATOM 164 CE2 TYR A 12 10.128 -2.315 -7.319 1.00 0.00 C ATOM 165 CZ TYR A 12 9.561 -1.198 -6.678 1.00 0.00 C ATOM 166 OH TYR A 12 10.070 0.035 -6.907 1.00 0.00 O ATOM 0 H TYR A 12 6.973 -7.287 -5.617 1.00 0.00 H new ATOM 0 HA TYR A 12 5.903 -4.817 -5.576 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.185 -5.418 -4.834 1.00 0.00 H new ATOM 0 HB3 TYR A 12 8.636 -5.899 -6.458 1.00 0.00 H new ATOM 0 HD1 TYR A 12 7.204 -2.822 -4.816 1.00 0.00 H new ATOM 0 HD2 TYR A 12 10.039 -4.427 -7.590 1.00 0.00 H new ATOM 0 HE1 TYR A 12 8.105 -0.567 -5.214 1.00 0.00 H new ATOM 0 HE2 TYR A 12 10.953 -2.188 -8.004 1.00 0.00 H new ATOM 0 HH TYR A 12 10.779 -0.024 -7.581 1.00 0.00 H new ATOM 176 N GLN A 13 6.969 -5.376 -8.647 1.00 0.00 N ATOM 177 CA GLN A 13 6.761 -4.966 -10.015 1.00 0.00 C ATOM 178 C GLN A 13 5.310 -5.173 -10.454 1.00 0.00 C ATOM 179 O GLN A 13 4.762 -4.380 -11.192 1.00 0.00 O ATOM 180 CB GLN A 13 7.697 -5.769 -10.919 1.00 0.00 C ATOM 181 CG GLN A 13 7.477 -5.376 -12.382 1.00 0.00 C ATOM 182 CD GLN A 13 8.337 -6.173 -13.337 1.00 0.00 C ATOM 183 OE1 GLN A 13 9.203 -6.945 -12.957 1.00 0.00 O ATOM 184 NE2 GLN A 13 8.124 -6.013 -14.620 1.00 0.00 N ATOM 0 H GLN A 13 7.620 -6.153 -8.535 1.00 0.00 H new ATOM 0 HA GLN A 13 6.978 -3.901 -10.094 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.734 -5.586 -10.637 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.515 -6.836 -10.789 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.427 -5.520 -12.639 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.693 -4.315 -12.505 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.401 -5.369 -14.941 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.681 -6.533 -15.298 1.00 0.00 H new ATOM 193 N GLN A 14 4.696 -6.286 -10.054 1.00 0.00 N ATOM 194 CA GLN A 14 3.277 -6.506 -10.314 1.00 0.00 C ATOM 195 C GLN A 14 2.362 -5.563 -9.523 1.00 0.00 C ATOM 196 O GLN A 14 1.165 -5.545 -9.760 1.00 0.00 O ATOM 197 CB GLN A 14 2.932 -7.970 -10.033 1.00 0.00 C ATOM 198 CG GLN A 14 3.515 -8.879 -11.130 1.00 0.00 C ATOM 199 CD GLN A 14 4.257 -10.056 -10.535 1.00 0.00 C ATOM 200 OE1 GLN A 14 5.096 -9.803 -9.591 1.00 0.00 O flip ATOM 201 NE2 GLN A 14 4.130 -11.222 -10.873 1.00 0.00 N flip ATOM 0 H GLN A 14 5.157 -7.044 -9.552 1.00 0.00 H new ATOM 0 HA GLN A 14 3.097 -6.277 -11.364 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.328 -8.263 -9.061 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.850 -8.093 -9.987 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.711 -9.240 -11.771 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.191 -8.302 -11.761 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.477 -11.469 -11.616 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.677 -11.949 -10.412 1.00 0.00 H new ATOM 210 N MET A 15 2.903 -4.823 -8.567 1.00 0.00 N ATOM 211 CA MET A 15 2.171 -3.944 -7.713 1.00 0.00 C ATOM 212 C MET A 15 1.988 -2.650 -8.413 1.00 0.00 C ATOM 213 O MET A 15 0.864 -2.298 -8.584 1.00 0.00 O ATOM 214 CB MET A 15 2.928 -3.664 -6.444 1.00 0.00 C ATOM 215 CG MET A 15 2.008 -3.101 -5.372 1.00 0.00 C ATOM 216 SD MET A 15 2.178 -3.996 -3.835 1.00 0.00 S ATOM 217 CE MET A 15 3.953 -3.871 -3.674 1.00 0.00 C ATOM 0 H MET A 15 3.904 -4.830 -8.370 1.00 0.00 H new ATOM 0 HA MET A 15 1.219 -4.417 -7.471 1.00 0.00 H new ATOM 0 HB2 MET A 15 3.393 -4.582 -6.084 1.00 0.00 H new ATOM 0 HB3 MET A 15 3.733 -2.957 -6.645 1.00 0.00 H new ATOM 0 HG2 MET A 15 2.237 -2.048 -5.209 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.974 -3.153 -5.713 1.00 0.00 H new ATOM 0 HE1 MET A 15 4.404 -4.848 -3.850 1.00 0.00 H new ATOM 0 HE2 MET A 15 4.335 -3.158 -4.405 1.00 0.00 H new ATOM 0 HE3 MET A 15 4.204 -3.531 -2.669 1.00 0.00 H new ATOM 227 N GLU A 16 3.037 -1.917 -8.748 1.00 0.00 N ATOM 228 CA GLU A 16 2.935 -0.637 -9.444 1.00 0.00 C ATOM 229 C GLU A 16 2.104 -0.765 -10.721 1.00 0.00 C ATOM 230 O GLU A 16 1.267 0.090 -11.003 1.00 0.00 O ATOM 231 CB GLU A 16 4.332 -0.128 -9.806 1.00 0.00 C ATOM 232 CG GLU A 16 5.281 -1.271 -10.187 1.00 0.00 C ATOM 233 CD GLU A 16 6.413 -0.776 -11.079 1.00 0.00 C ATOM 234 OE1 GLU A 16 7.417 -0.280 -10.521 1.00 0.00 O ATOM 235 OE2 GLU A 16 6.314 -0.944 -12.314 1.00 0.00 O ATOM 0 H GLU A 16 3.997 -2.194 -8.543 1.00 0.00 H new ATOM 0 HA GLU A 16 2.441 0.068 -8.775 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.258 0.573 -10.637 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.747 0.421 -8.961 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.696 -1.719 -9.284 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.724 -2.053 -10.703 1.00 0.00 H new ATOM 242 N GLU A 17 2.257 -1.897 -11.419 1.00 0.00 N ATOM 243 CA GLU A 17 1.478 -2.176 -12.620 1.00 0.00 C ATOM 244 C GLU A 17 -0.005 -2.369 -12.298 1.00 0.00 C ATOM 245 O GLU A 17 -0.880 -2.078 -13.111 1.00 0.00 O ATOM 246 CB GLU A 17 2.021 -3.421 -13.318 1.00 0.00 C ATOM 247 CG GLU A 17 1.681 -3.367 -14.812 1.00 0.00 C ATOM 248 CD GLU A 17 0.689 -4.474 -15.194 1.00 0.00 C ATOM 249 OE1 GLU A 17 -0.524 -4.298 -14.992 1.00 0.00 O ATOM 250 OE2 GLU A 17 1.157 -5.511 -15.731 1.00 0.00 O ATOM 0 H GLU A 17 2.917 -2.633 -11.167 1.00 0.00 H new ATOM 0 HA GLU A 17 1.570 -1.315 -13.282 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.101 -3.483 -13.183 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.592 -4.317 -12.870 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.256 -2.393 -15.056 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.593 -3.473 -15.400 1.00 0.00 H new ATOM 257 N ALA A 18 -0.308 -2.731 -11.068 1.00 0.00 N ATOM 258 CA ALA A 18 -1.635 -2.908 -10.581 1.00 0.00 C ATOM 259 C ALA A 18 -1.790 -2.214 -9.261 1.00 0.00 C ATOM 260 O ALA A 18 -2.295 -2.854 -8.350 1.00 0.00 O ATOM 261 CB ALA A 18 -1.918 -4.404 -10.476 1.00 0.00 C ATOM 0 H ALA A 18 0.404 -2.914 -10.361 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.359 -2.465 -11.265 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.931 -4.557 -10.104 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.819 -4.863 -11.460 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.206 -4.862 -9.789 1.00 0.00 H new ATOM 267 N GLU A 19 -1.447 -0.917 -9.173 1.00 0.00 N ATOM 268 CA GLU A 19 -1.505 -0.106 -7.949 1.00 0.00 C ATOM 269 C GLU A 19 -2.773 -0.404 -7.128 1.00 0.00 C ATOM 270 O GLU A 19 -3.872 0.134 -7.375 1.00 0.00 O ATOM 271 CB GLU A 19 -1.424 1.366 -8.332 1.00 0.00 C ATOM 272 CG GLU A 19 -1.965 1.664 -9.725 1.00 0.00 C ATOM 273 CD GLU A 19 -2.467 3.102 -9.845 1.00 0.00 C ATOM 274 OE1 GLU A 19 -1.664 4.044 -9.788 1.00 0.00 O ATOM 275 OE2 GLU A 19 -3.711 3.305 -9.990 1.00 0.00 O ATOM 0 H GLU A 19 -1.111 -0.390 -9.979 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.659 -0.362 -7.311 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.980 1.954 -7.602 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.385 1.690 -8.278 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.182 1.490 -10.463 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.778 0.975 -9.954 1.00 0.00 H new ATOM 282 N MET A 20 -2.633 -1.321 -6.171 1.00 0.00 N ATOM 283 CA MET A 20 -3.802 -1.900 -5.516 1.00 0.00 C ATOM 284 C MET A 20 -3.896 -1.148 -4.225 1.00 0.00 C ATOM 285 O MET A 20 -4.966 -0.697 -3.852 1.00 0.00 O ATOM 286 CB MET A 20 -3.632 -3.392 -5.254 1.00 0.00 C ATOM 287 CG MET A 20 -2.519 -3.649 -4.244 1.00 0.00 C ATOM 288 SD MET A 20 -2.117 -5.371 -4.170 1.00 0.00 S ATOM 289 CE MET A 20 -0.566 -5.313 -3.274 1.00 0.00 C ATOM 0 H MET A 20 -1.736 -1.674 -5.837 1.00 0.00 H new ATOM 0 HA MET A 20 -4.697 -1.816 -6.133 1.00 0.00 H new ATOM 0 HB2 MET A 20 -4.568 -3.808 -4.882 1.00 0.00 H new ATOM 0 HB3 MET A 20 -3.405 -3.905 -6.189 1.00 0.00 H new ATOM 0 HG2 MET A 20 -1.633 -3.076 -4.520 1.00 0.00 H new ATOM 0 HG3 MET A 20 -2.829 -3.301 -3.259 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.136 -6.021 -3.715 1.00 0.00 H new ATOM 0 HE2 MET A 20 -0.151 -4.307 -3.331 1.00 0.00 H new ATOM 0 HE3 MET A 20 -0.739 -5.576 -2.230 1.00 0.00 H new ATOM 299 N LEU A 21 -2.751 -0.879 -3.596 1.00 0.00 N ATOM 300 CA LEU A 21 -2.688 -0.165 -2.350 1.00 0.00 C ATOM 301 C LEU A 21 -2.503 1.317 -2.669 1.00 0.00 C ATOM 302 O LEU A 21 -1.837 2.041 -1.956 1.00 0.00 O ATOM 303 CB LEU A 21 -1.587 -0.755 -1.493 1.00 0.00 C ATOM 304 CG LEU A 21 -1.912 -2.096 -0.867 1.00 0.00 C ATOM 305 CD1 LEU A 21 -0.736 -3.025 -1.044 1.00 0.00 C ATOM 306 CD2 LEU A 21 -2.301 -1.965 0.604 1.00 0.00 C ATOM 0 H LEU A 21 -1.838 -1.160 -3.954 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.605 -0.261 -1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.691 -0.864 -2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.348 -0.048 -0.698 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.781 -2.514 -1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.965 -3.991 -0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.534 -3.157 -2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.141 -2.598 -0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.525 -2.951 1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.475 -1.522 1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.181 -1.328 0.692 1.00 0.00 H new ATOM 318 N ASN A 22 -3.188 1.796 -3.712 1.00 0.00 N ATOM 319 CA ASN A 22 -3.126 3.194 -4.101 1.00 0.00 C ATOM 320 C ASN A 22 -4.456 3.854 -3.769 1.00 0.00 C ATOM 321 O ASN A 22 -4.536 4.996 -3.345 1.00 0.00 O ATOM 322 CB ASN A 22 -2.885 3.302 -5.596 1.00 0.00 C ATOM 323 CG ASN A 22 -1.429 3.565 -5.898 1.00 0.00 C ATOM 324 OD1 ASN A 22 -0.605 2.694 -5.738 1.00 0.00 O ATOM 325 ND2 ASN A 22 -1.119 4.790 -6.242 1.00 0.00 N ATOM 0 H ASN A 22 -3.794 1.225 -4.301 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.313 3.685 -3.566 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.200 2.380 -6.085 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.495 4.106 -6.008 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.143 5.047 -6.388 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.854 5.487 -6.364 1.00 0.00 H new ATOM 332 N HIS A 23 -5.556 3.109 -3.955 1.00 0.00 N ATOM 333 CA HIS A 23 -6.893 3.629 -3.705 1.00 0.00 C ATOM 334 C HIS A 23 -7.159 3.615 -2.209 1.00 0.00 C ATOM 335 O HIS A 23 -7.569 4.620 -1.658 1.00 0.00 O ATOM 336 CB HIS A 23 -7.933 2.795 -4.439 1.00 0.00 C ATOM 337 CG HIS A 23 -7.689 2.705 -5.928 1.00 0.00 C ATOM 338 ND1 HIS A 23 -8.536 3.216 -6.898 1.00 0.00 N ATOM 339 CD2 HIS A 23 -6.619 2.118 -6.573 1.00 0.00 C ATOM 340 CE1 HIS A 23 -8.025 2.891 -8.108 1.00 0.00 C ATOM 341 NE2 HIS A 23 -6.843 2.255 -7.933 1.00 0.00 N ATOM 0 H HIS A 23 -5.537 2.142 -4.279 1.00 0.00 H new ATOM 0 HA HIS A 23 -6.960 4.652 -4.075 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.944 1.789 -4.019 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -8.920 3.224 -4.265 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -5.769 1.642 -6.106 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -8.486 3.105 -9.061 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -6.223 1.932 -8.676 1.00 0.00 H new ATOM 350 N CYS A 24 -6.865 2.495 -1.547 1.00 0.00 N ATOM 351 CA CYS A 24 -6.981 2.418 -0.109 1.00 0.00 C ATOM 352 C CYS A 24 -5.931 3.302 0.531 1.00 0.00 C ATOM 353 O CYS A 24 -6.062 3.520 1.693 1.00 0.00 O ATOM 354 CB CYS A 24 -6.837 0.977 0.387 1.00 0.00 C ATOM 355 SG CYS A 24 -8.406 0.112 0.546 1.00 0.00 S ATOM 0 H CYS A 24 -6.546 1.635 -1.993 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.974 2.766 0.176 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.196 0.427 -0.302 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.335 0.983 1.354 1.00 0.00 H new ATOM 360 N GLY A 25 -4.962 3.843 -0.210 1.00 0.00 N ATOM 361 CA GLY A 25 -3.952 4.729 0.294 1.00 0.00 C ATOM 362 C GLY A 25 -4.433 6.154 0.266 1.00 0.00 C ATOM 363 O GLY A 25 -4.253 6.856 1.236 1.00 0.00 O ATOM 0 H GLY A 25 -4.870 3.660 -1.209 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.691 4.448 1.314 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.046 4.634 -0.305 1.00 0.00 H new ATOM 367 N MET A 26 -5.168 6.561 -0.769 1.00 0.00 N ATOM 368 CA MET A 26 -5.666 7.915 -0.885 1.00 0.00 C ATOM 369 C MET A 26 -6.617 8.220 0.238 1.00 0.00 C ATOM 370 O MET A 26 -6.591 9.321 0.722 1.00 0.00 O ATOM 371 CB MET A 26 -6.419 8.065 -2.194 1.00 0.00 C ATOM 372 CG MET A 26 -5.597 8.829 -3.222 1.00 0.00 C ATOM 373 SD MET A 26 -6.543 9.088 -4.745 1.00 0.00 S ATOM 374 CE MET A 26 -5.198 9.441 -5.880 1.00 0.00 C ATOM 0 H MET A 26 -5.430 5.955 -1.546 1.00 0.00 H new ATOM 0 HA MET A 26 -4.818 8.599 -0.847 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.670 7.080 -2.586 1.00 0.00 H new ATOM 0 HB3 MET A 26 -7.359 8.587 -2.017 1.00 0.00 H new ATOM 0 HG2 MET A 26 -5.295 9.791 -2.809 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.684 8.277 -3.446 1.00 0.00 H new ATOM 0 HE1 MET A 26 -5.601 9.627 -6.875 1.00 0.00 H new ATOM 0 HE2 MET A 26 -4.655 10.322 -5.538 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.520 8.588 -5.917 1.00 0.00 H new ATOM 384 N TYR A 27 -7.454 7.263 0.637 1.00 0.00 N ATOM 385 CA TYR A 27 -8.363 7.424 1.753 1.00 0.00 C ATOM 386 C TYR A 27 -7.621 7.769 3.039 1.00 0.00 C ATOM 387 O TYR A 27 -8.149 8.476 3.881 1.00 0.00 O ATOM 388 CB TYR A 27 -9.108 6.092 1.902 1.00 0.00 C ATOM 389 CG TYR A 27 -10.128 6.060 3.012 1.00 0.00 C ATOM 390 CD1 TYR A 27 -9.728 6.085 4.367 1.00 0.00 C ATOM 391 CD2 TYR A 27 -11.501 5.992 2.714 1.00 0.00 C ATOM 392 CE1 TYR A 27 -10.656 6.089 5.397 1.00 0.00 C ATOM 393 CE2 TYR A 27 -12.441 5.972 3.741 1.00 0.00 C ATOM 394 CZ TYR A 27 -12.029 6.019 5.098 1.00 0.00 C ATOM 395 OH TYR A 27 -12.940 6.017 6.092 1.00 0.00 O ATOM 0 H TYR A 27 -7.515 6.350 0.186 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.051 8.249 1.567 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -9.608 5.864 0.961 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.378 5.301 2.075 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.675 6.101 4.606 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.827 5.955 1.685 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.327 6.146 6.424 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -13.493 5.920 3.503 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.841 5.965 5.710 1.00 0.00 H new ATOM 405 N LEU A 28 -6.403 7.267 3.178 1.00 0.00 N ATOM 406 CA LEU A 28 -5.607 7.454 4.370 1.00 0.00 C ATOM 407 C LEU A 28 -4.733 8.676 4.155 1.00 0.00 C ATOM 408 O LEU A 28 -4.402 9.343 5.102 1.00 0.00 O ATOM 409 CB LEU A 28 -4.772 6.212 4.681 1.00 0.00 C ATOM 410 CG LEU A 28 -5.416 4.879 4.309 1.00 0.00 C ATOM 411 CD1 LEU A 28 -4.362 3.821 4.022 1.00 0.00 C ATOM 412 CD2 LEU A 28 -6.409 4.443 5.347 1.00 0.00 C ATOM 0 H LEU A 28 -5.940 6.714 2.457 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.254 7.609 5.234 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.820 6.295 4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.549 6.203 5.748 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.977 5.019 3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.850 2.882 3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.735 4.148 3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.744 3.673 4.908 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.849 3.491 5.052 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.905 4.328 6.307 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.194 5.193 5.437 1.00 0.00 H new ATOM 424 N MET A 29 -4.445 9.041 2.907 1.00 0.00 N ATOM 425 CA MET A 29 -3.668 10.200 2.532 1.00 0.00 C ATOM 426 C MET A 29 -4.567 11.396 2.257 1.00 0.00 C ATOM 427 O MET A 29 -4.146 12.403 1.723 1.00 0.00 O ATOM 428 CB MET A 29 -2.783 9.872 1.335 1.00 0.00 C ATOM 429 CG MET A 29 -1.356 10.341 1.571 1.00 0.00 C ATOM 430 SD MET A 29 -1.165 12.134 1.689 1.00 0.00 S ATOM 431 CE MET A 29 -0.870 12.509 -0.043 1.00 0.00 C ATOM 0 H MET A 29 -4.766 8.506 2.100 1.00 0.00 H new ATOM 0 HA MET A 29 -3.021 10.473 3.366 1.00 0.00 H new ATOM 0 HB2 MET A 29 -2.792 8.797 1.155 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.183 10.348 0.440 1.00 0.00 H new ATOM 0 HG2 MET A 29 -0.986 9.888 2.491 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.728 9.974 0.759 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.728 13.583 -0.164 1.00 0.00 H new ATOM 0 HE2 MET A 29 0.023 11.984 -0.382 1.00 0.00 H new ATOM 0 HE3 MET A 29 -1.726 12.188 -0.636 1.00 0.00 H new ATOM 441 N LYS A 30 -5.859 11.276 2.539 1.00 0.00 N ATOM 442 CA LYS A 30 -6.803 12.342 2.277 1.00 0.00 C ATOM 443 C LYS A 30 -6.781 13.314 3.439 1.00 0.00 C ATOM 444 O LYS A 30 -7.150 14.465 3.269 1.00 0.00 O ATOM 445 CB LYS A 30 -8.195 11.752 2.049 1.00 0.00 C ATOM 446 CG LYS A 30 -8.860 12.441 0.853 1.00 0.00 C ATOM 447 CD LYS A 30 -10.375 12.548 1.060 1.00 0.00 C ATOM 448 CE LYS A 30 -11.129 11.783 -0.030 1.00 0.00 C ATOM 449 NZ LYS A 30 -12.552 11.608 0.355 1.00 0.00 N ATOM 0 H LYS A 30 -6.274 10.441 2.953 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.527 12.886 1.373 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.121 10.680 1.868 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.806 11.883 2.942 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.436 13.436 0.719 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.652 11.880 -0.058 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.641 12.151 2.040 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.675 13.596 1.049 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.064 12.324 -0.974 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.665 10.809 -0.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.053 11.087 -0.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.608 11.073 1.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.994 12.541 0.483 1.00 0.00 H new ATOM 463 N ASN A 31 -6.378 12.836 4.617 1.00 0.00 N ATOM 464 CA ASN A 31 -6.224 13.670 5.800 1.00 0.00 C ATOM 465 C ASN A 31 -4.748 13.959 6.078 1.00 0.00 C ATOM 466 O ASN A 31 -4.445 14.694 7.008 1.00 0.00 O ATOM 467 CB ASN A 31 -6.842 12.955 7.007 1.00 0.00 C ATOM 468 CG ASN A 31 -6.247 11.581 7.224 1.00 0.00 C ATOM 469 OD1 ASN A 31 -6.492 10.667 6.455 1.00 0.00 O ATOM 470 ND2 ASN A 31 -5.432 11.432 8.236 1.00 0.00 N ATOM 0 H ASN A 31 -6.149 11.854 4.774 1.00 0.00 H new ATOM 0 HA ASN A 31 -6.733 14.618 5.626 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.691 13.560 7.901 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.918 12.864 6.861 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.981 10.532 8.399 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.247 12.216 8.862 1.00 0.00 H new ATOM 758 N GLN A 49 -13.879 0.041 -2.421 1.00 0.00 N ATOM 759 CA GLN A 49 -13.466 -1.331 -2.696 1.00 0.00 C ATOM 760 C GLN A 49 -12.570 -1.382 -3.927 1.00 0.00 C ATOM 761 O GLN A 49 -12.426 -2.406 -4.563 1.00 0.00 O ATOM 762 CB GLN A 49 -14.700 -2.236 -2.836 1.00 0.00 C ATOM 763 CG GLN A 49 -14.989 -2.964 -1.520 1.00 0.00 C ATOM 764 CD GLN A 49 -16.409 -2.732 -1.045 1.00 0.00 C ATOM 765 OE1 GLN A 49 -17.374 -2.752 -1.792 1.00 0.00 O ATOM 766 NE2 GLN A 49 -16.566 -2.391 0.212 1.00 0.00 N ATOM 0 HA GLN A 49 -12.879 -1.706 -1.858 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -15.565 -1.638 -3.124 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.536 -2.963 -3.631 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.821 -4.033 -1.652 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -14.290 -2.623 -0.756 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -15.762 -2.373 0.840 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -17.492 -2.144 0.562 1.00 0.00 H new ATOM 775 N LEU A 50 -11.959 -0.247 -4.279 1.00 0.00 N ATOM 776 CA LEU A 50 -11.089 -0.175 -5.426 1.00 0.00 C ATOM 777 C LEU A 50 -9.750 -0.835 -5.072 1.00 0.00 C ATOM 778 O LEU A 50 -9.141 -1.530 -5.847 1.00 0.00 O ATOM 779 CB LEU A 50 -10.899 1.282 -5.803 1.00 0.00 C ATOM 780 CG LEU A 50 -11.909 1.787 -6.836 1.00 0.00 C ATOM 781 CD1 LEU A 50 -12.076 3.303 -6.690 1.00 0.00 C ATOM 782 CD2 LEU A 50 -11.462 1.443 -8.260 1.00 0.00 C ATOM 0 H LEU A 50 -12.061 0.633 -3.773 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.521 -0.701 -6.278 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.975 1.894 -4.904 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.892 1.418 -6.196 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.864 1.294 -6.655 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -12.795 3.662 -7.426 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.436 3.535 -5.688 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.116 3.792 -6.853 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.199 1.814 -8.972 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.497 1.908 -8.461 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.372 0.362 -8.362 1.00 0.00 H new ATOM 794 N CYS A 51 -9.216 -0.591 -3.880 1.00 0.00 N ATOM 795 CA CYS A 51 -7.989 -1.249 -3.467 1.00 0.00 C ATOM 796 C CYS A 51 -8.187 -2.745 -3.345 1.00 0.00 C ATOM 797 O CYS A 51 -7.418 -3.464 -3.954 1.00 0.00 O ATOM 798 CB CYS A 51 -7.532 -0.681 -2.140 1.00 0.00 C ATOM 799 SG CYS A 51 -8.083 -1.445 -0.599 1.00 0.00 S ATOM 0 H CYS A 51 -9.611 0.051 -3.192 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.228 -1.068 -4.226 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -6.442 -0.695 -2.138 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.837 0.365 -2.112 1.00 0.00 H new ATOM 804 N CYS A 52 -9.315 -3.156 -2.724 1.00 0.00 N ATOM 805 CA CYS A 52 -9.646 -4.564 -2.580 1.00 0.00 C ATOM 806 C CYS A 52 -9.886 -5.160 -3.973 1.00 0.00 C ATOM 807 O CYS A 52 -9.875 -6.367 -4.144 1.00 0.00 O ATOM 808 CB CYS A 52 -10.874 -4.722 -1.677 1.00 0.00 C ATOM 809 SG CYS A 52 -10.951 -6.283 -0.776 1.00 0.00 S ATOM 0 H CYS A 52 -10.003 -2.521 -2.319 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.823 -5.102 -2.109 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -10.888 -3.902 -0.959 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -11.772 -4.626 -2.287 1.00 0.00 H new ATOM 814 N MET A 53 -10.063 -4.303 -4.988 1.00 0.00 N ATOM 815 CA MET A 53 -10.255 -4.712 -6.356 1.00 0.00 C ATOM 816 C MET A 53 -8.981 -5.335 -6.906 1.00 0.00 C ATOM 817 O MET A 53 -8.939 -6.524 -7.169 1.00 0.00 O ATOM 818 CB MET A 53 -10.657 -3.515 -7.204 1.00 0.00 C ATOM 819 CG MET A 53 -11.587 -3.903 -8.326 1.00 0.00 C ATOM 820 SD MET A 53 -11.226 -2.949 -9.819 1.00 0.00 S ATOM 821 CE MET A 53 -9.829 -3.941 -10.431 1.00 0.00 C ATOM 0 H MET A 53 -10.074 -3.291 -4.862 1.00 0.00 H new ATOM 0 HA MET A 53 -11.050 -5.456 -6.390 1.00 0.00 H new ATOM 0 HB2 MET A 53 -11.142 -2.770 -6.573 1.00 0.00 H new ATOM 0 HB3 MET A 53 -9.764 -3.048 -7.619 1.00 0.00 H new ATOM 0 HG2 MET A 53 -11.486 -4.968 -8.536 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.620 -3.735 -8.022 1.00 0.00 H new ATOM 0 HE1 MET A 53 -9.219 -3.336 -11.102 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.222 -4.273 -9.589 1.00 0.00 H new ATOM 0 HE3 MET A 53 -10.208 -4.810 -10.970 1.00 0.00 H new ATOM 831 N GLN A 54 -7.939 -4.519 -7.096 1.00 0.00 N ATOM 832 CA GLN A 54 -6.689 -4.991 -7.651 1.00 0.00 C ATOM 833 C GLN A 54 -6.000 -5.909 -6.664 1.00 0.00 C ATOM 834 O GLN A 54 -5.367 -6.854 -7.068 1.00 0.00 O ATOM 835 CB GLN A 54 -5.750 -3.840 -7.942 1.00 0.00 C ATOM 836 CG GLN A 54 -6.226 -3.048 -9.147 1.00 0.00 C ATOM 837 CD GLN A 54 -5.088 -2.703 -10.065 1.00 0.00 C ATOM 838 OE1 GLN A 54 -4.811 -3.429 -10.992 1.00 0.00 O ATOM 839 NE2 GLN A 54 -4.520 -1.527 -9.902 1.00 0.00 N ATOM 0 H GLN A 54 -7.948 -3.525 -6.869 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.921 -5.518 -8.576 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.689 -3.186 -7.072 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.746 -4.221 -8.125 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.972 -3.627 -9.692 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.715 -2.133 -8.812 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.779 -0.941 -9.108 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.821 -1.201 -10.570 1.00 0.00 H new ATOM 848 N LEU A 55 -6.179 -5.696 -5.361 1.00 0.00 N ATOM 849 CA LEU A 55 -5.614 -6.574 -4.360 1.00 0.00 C ATOM 850 C LEU A 55 -6.096 -8.008 -4.554 1.00 0.00 C ATOM 851 O LEU A 55 -5.335 -8.923 -4.301 1.00 0.00 O ATOM 852 CB LEU A 55 -5.999 -6.046 -2.998 1.00 0.00 C ATOM 853 CG LEU A 55 -4.996 -5.132 -2.301 1.00 0.00 C ATOM 854 CD1 LEU A 55 -5.667 -3.962 -1.574 1.00 0.00 C ATOM 855 CD2 LEU A 55 -4.026 -5.890 -1.398 1.00 0.00 C ATOM 0 H LEU A 55 -6.715 -4.916 -4.981 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.528 -6.592 -4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.939 -5.503 -3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.191 -6.898 -2.346 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.394 -4.697 -3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.905 -3.345 -1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.224 -3.360 -2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.349 -4.348 -0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.338 -5.186 -0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.585 -6.418 -0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.461 -6.608 -1.992 1.00 0.00 H new ATOM 867 N LYS A 56 -7.326 -8.176 -5.064 1.00 0.00 N ATOM 868 CA LYS A 56 -7.825 -9.489 -5.436 1.00 0.00 C ATOM 869 C LYS A 56 -7.177 -9.995 -6.732 1.00 0.00 C ATOM 870 O LYS A 56 -7.078 -11.195 -6.944 1.00 0.00 O ATOM 871 CB LYS A 56 -9.352 -9.411 -5.509 1.00 0.00 C ATOM 872 CG LYS A 56 -9.960 -10.720 -6.019 1.00 0.00 C ATOM 873 CD LYS A 56 -10.997 -11.280 -5.052 1.00 0.00 C ATOM 874 CE LYS A 56 -12.015 -12.137 -5.808 1.00 0.00 C ATOM 875 NZ LYS A 56 -13.137 -11.289 -6.292 1.00 0.00 N ATOM 0 H LYS A 56 -7.985 -7.414 -5.224 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.551 -10.228 -4.683 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.753 -9.184 -4.521 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.644 -8.593 -6.167 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.424 -10.550 -6.991 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.168 -11.454 -6.168 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.505 -11.878 -4.286 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.506 -10.463 -4.540 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.532 -12.631 -6.651 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.397 -12.922 -5.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.823 -11.880 -6.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.606 -10.838 -5.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.768 -10.556 -6.930 1.00 0.00 H new ATOM 889 N ASN A 57 -6.868 -9.094 -7.656 1.00 0.00 N ATOM 890 CA ASN A 57 -6.135 -9.443 -8.859 1.00 0.00 C ATOM 891 C ASN A 57 -4.759 -10.042 -8.562 1.00 0.00 C ATOM 892 O ASN A 57 -4.278 -10.837 -9.358 1.00 0.00 O ATOM 893 CB ASN A 57 -5.949 -8.206 -9.747 1.00 0.00 C ATOM 894 CG ASN A 57 -6.673 -8.349 -11.056 1.00 0.00 C ATOM 895 OD1 ASN A 57 -6.206 -8.918 -12.015 1.00 0.00 O ATOM 896 ND2 ASN A 57 -7.903 -7.883 -11.096 1.00 0.00 N ATOM 0 H ASN A 57 -7.118 -8.107 -7.590 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.730 -10.199 -9.371 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -6.315 -7.323 -9.223 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.887 -8.048 -9.934 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.466 -8.001 -11.938 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.293 -7.404 -10.285 1.00 0.00 H new ATOM 903 N LEU A 58 -4.116 -9.549 -7.492 1.00 0.00 N ATOM 904 CA LEU A 58 -2.835 -10.064 -7.072 1.00 0.00 C ATOM 905 C LEU A 58 -2.954 -11.510 -6.575 1.00 0.00 C ATOM 906 O LEU A 58 -3.986 -12.162 -6.711 1.00 0.00 O ATOM 907 CB LEU A 58 -2.216 -9.102 -6.038 1.00 0.00 C ATOM 908 CG LEU A 58 -1.091 -8.240 -6.619 1.00 0.00 C ATOM 909 CD1 LEU A 58 -0.350 -7.544 -5.480 1.00 0.00 C ATOM 910 CD2 LEU A 58 -0.083 -9.046 -7.446 1.00 0.00 C ATOM 0 H LEU A 58 -4.476 -8.792 -6.911 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.154 -10.110 -7.922 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.996 -8.452 -5.642 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.827 -9.680 -5.200 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.558 -7.517 -7.288 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.452 -6.929 -5.889 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.045 -6.912 -4.926 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.073 -8.293 -4.810 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.689 -8.379 -7.830 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.376 -9.809 -6.817 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.597 -9.525 -8.280 1.00 0.00 H new ATOM 922 N ASP A 59 -1.889 -11.999 -5.963 1.00 0.00 N ATOM 923 CA ASP A 59 -1.879 -13.332 -5.406 1.00 0.00 C ATOM 924 C ASP A 59 -1.839 -13.248 -3.896 1.00 0.00 C ATOM 925 O ASP A 59 -1.222 -12.337 -3.342 1.00 0.00 O ATOM 926 CB ASP A 59 -0.656 -14.093 -5.916 1.00 0.00 C ATOM 927 CG ASP A 59 -0.938 -14.875 -7.197 1.00 0.00 C ATOM 928 OD1 ASP A 59 -1.370 -14.259 -8.181 1.00 0.00 O ATOM 929 OD2 ASP A 59 -0.619 -16.092 -7.178 1.00 0.00 O ATOM 0 H ASP A 59 -1.016 -11.485 -5.841 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.782 -13.861 -5.713 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.155 -13.388 -6.097 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.314 -14.781 -5.143 1.00 0.00 H new ATOM 934 N GLU A 60 -2.282 -14.305 -3.222 1.00 0.00 N ATOM 935 CA GLU A 60 -2.244 -14.375 -1.762 1.00 0.00 C ATOM 936 C GLU A 60 -0.799 -14.394 -1.251 1.00 0.00 C ATOM 937 O GLU A 60 -0.514 -14.175 -0.078 1.00 0.00 O ATOM 938 CB GLU A 60 -2.991 -15.619 -1.265 1.00 0.00 C ATOM 939 CG GLU A 60 -4.102 -15.224 -0.284 1.00 0.00 C ATOM 940 CD GLU A 60 -4.121 -16.153 0.932 1.00 0.00 C ATOM 941 OE1 GLU A 60 -3.171 -16.078 1.743 1.00 0.00 O ATOM 942 OE2 GLU A 60 -5.063 -16.968 1.016 1.00 0.00 O ATOM 0 H GLU A 60 -2.676 -15.134 -3.668 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.737 -13.485 -1.371 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.419 -16.155 -2.112 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.292 -16.299 -0.777 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.953 -14.195 0.043 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.067 -15.261 -0.789 1.00 0.00 H new ATOM 949 N LYS A 61 0.148 -14.644 -2.163 1.00 0.00 N ATOM 950 CA LYS A 61 1.553 -14.612 -1.859 1.00 0.00 C ATOM 951 C LYS A 61 2.110 -13.246 -2.134 1.00 0.00 C ATOM 952 O LYS A 61 3.218 -13.044 -1.710 1.00 0.00 O ATOM 953 CB LYS A 61 2.265 -15.678 -2.680 1.00 0.00 C ATOM 954 CG LYS A 61 1.743 -17.072 -2.282 1.00 0.00 C ATOM 955 CD LYS A 61 2.765 -17.828 -1.423 1.00 0.00 C ATOM 956 CE LYS A 61 2.342 -17.824 0.050 1.00 0.00 C ATOM 957 NZ LYS A 61 3.277 -18.654 0.851 1.00 0.00 N ATOM 0 H LYS A 61 -0.058 -14.874 -3.135 1.00 0.00 H new ATOM 0 HA LYS A 61 1.710 -14.825 -0.801 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.096 -15.505 -3.743 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.341 -15.621 -2.514 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.808 -16.969 -1.731 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.522 -17.649 -3.180 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.857 -18.855 -1.777 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.747 -17.366 -1.526 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.332 -16.803 0.431 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.327 -18.210 0.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.982 -18.645 1.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.266 -19.631 0.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.239 -18.268 0.771 1.00 0.00 H new ATOM 971 N CYS A 62 1.415 -12.345 -2.809 1.00 0.00 N ATOM 972 CA CYS A 62 1.795 -10.971 -3.028 1.00 0.00 C ATOM 973 C CYS A 62 0.989 -10.060 -2.102 1.00 0.00 C ATOM 974 O CYS A 62 1.440 -8.986 -1.729 1.00 0.00 O ATOM 975 CB CYS A 62 1.547 -10.620 -4.476 1.00 0.00 C ATOM 976 SG CYS A 62 2.585 -11.514 -5.642 1.00 0.00 S ATOM 0 H CYS A 62 0.520 -12.573 -3.241 1.00 0.00 H new ATOM 0 HA CYS A 62 2.853 -10.833 -2.805 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.501 -10.818 -4.712 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.707 -9.550 -4.611 1.00 0.00 H new ATOM 981 N MET A 63 -0.100 -10.524 -1.528 1.00 0.00 N ATOM 982 CA MET A 63 -0.909 -9.734 -0.639 1.00 0.00 C ATOM 983 C MET A 63 -0.318 -9.792 0.747 1.00 0.00 C ATOM 984 O MET A 63 -0.891 -10.290 1.668 1.00 0.00 O ATOM 985 CB MET A 63 -2.307 -10.284 -0.679 1.00 0.00 C ATOM 986 CG MET A 63 -3.036 -9.976 -1.975 1.00 0.00 C ATOM 987 SD MET A 63 -3.941 -11.383 -2.631 1.00 0.00 S ATOM 988 CE MET A 63 -4.893 -11.876 -1.197 1.00 0.00 C ATOM 0 H MET A 63 -0.448 -11.472 -1.670 1.00 0.00 H new ATOM 0 HA MET A 63 -0.936 -8.687 -0.940 1.00 0.00 H new ATOM 0 HB2 MET A 63 -2.269 -11.364 -0.539 1.00 0.00 H new ATOM 0 HB3 MET A 63 -2.875 -9.874 0.156 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.730 -9.152 -1.807 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.314 -9.638 -2.719 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.369 -12.838 -1.389 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.232 -11.964 -0.334 1.00 0.00 H new ATOM 0 HE3 MET A 63 -5.658 -11.127 -0.993 1.00 0.00 H new ATOM 998 N CYS A 64 0.878 -9.308 0.969 1.00 0.00 N ATOM 999 CA CYS A 64 1.560 -9.342 2.262 1.00 0.00 C ATOM 1000 C CYS A 64 2.970 -8.833 2.036 1.00 0.00 C ATOM 1001 O CYS A 64 3.347 -7.805 2.605 1.00 0.00 O ATOM 1002 CB CYS A 64 1.593 -10.751 2.898 1.00 0.00 C ATOM 1003 SG CYS A 64 3.251 -11.382 3.493 1.00 0.00 S ATOM 0 H CYS A 64 1.432 -8.862 0.238 1.00 0.00 H new ATOM 0 HA CYS A 64 1.011 -8.717 2.966 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.906 -10.756 3.744 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.204 -11.460 2.168 1.00 0.00 H new ATOM 1008 N PRO A 65 3.735 -9.490 1.146 1.00 0.00 N ATOM 1009 CA PRO A 65 5.120 -9.111 0.878 1.00 0.00 C ATOM 1010 C PRO A 65 5.159 -7.898 -0.047 1.00 0.00 C ATOM 1011 O PRO A 65 6.059 -7.078 0.070 1.00 0.00 O ATOM 1012 CB PRO A 65 5.781 -10.333 0.221 1.00 0.00 C ATOM 1013 CG PRO A 65 4.643 -11.204 -0.254 1.00 0.00 C ATOM 1014 CD PRO A 65 3.381 -10.688 0.399 1.00 0.00 C ATOM 0 HA PRO A 65 5.648 -8.832 1.790 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.419 -10.034 -0.611 1.00 0.00 H new ATOM 0 HB3 PRO A 65 6.413 -10.866 0.931 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.557 -11.166 -1.340 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.817 -12.246 0.016 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.625 -10.462 -0.353 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.956 -11.442 1.062 1.00 0.00 H new ATOM 1022 N ALA A 66 4.157 -7.774 -0.919 1.00 0.00 N ATOM 1023 CA ALA A 66 4.063 -6.670 -1.806 1.00 0.00 C ATOM 1024 C ALA A 66 3.722 -5.446 -1.005 1.00 0.00 C ATOM 1025 O ALA A 66 4.457 -4.514 -1.076 1.00 0.00 O ATOM 1026 CB ALA A 66 3.002 -6.933 -2.847 1.00 0.00 C ATOM 0 H ALA A 66 3.399 -8.450 -1.011 1.00 0.00 H new ATOM 0 HA ALA A 66 5.012 -6.519 -2.321 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.937 -6.081 -3.523 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.262 -7.827 -3.414 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.040 -7.082 -2.357 1.00 0.00 H new ATOM 1032 N ILE A 67 2.690 -5.439 -0.176 1.00 0.00 N ATOM 1033 CA ILE A 67 2.313 -4.294 0.629 1.00 0.00 C ATOM 1034 C ILE A 67 3.517 -3.650 1.274 1.00 0.00 C ATOM 1035 O ILE A 67 3.741 -2.482 1.081 1.00 0.00 O ATOM 1036 CB ILE A 67 1.343 -4.728 1.708 1.00 0.00 C ATOM 1037 CG1 ILE A 67 0.142 -5.437 1.093 1.00 0.00 C ATOM 1038 CG2 ILE A 67 0.961 -3.528 2.581 1.00 0.00 C ATOM 1039 CD1 ILE A 67 -1.128 -5.151 1.841 1.00 0.00 C ATOM 0 H ILE A 67 2.081 -6.246 -0.043 1.00 0.00 H new ATOM 0 HA ILE A 67 1.844 -3.562 -0.029 1.00 0.00 H new ATOM 0 HB ILE A 67 1.820 -5.455 2.365 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.029 -5.124 0.055 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.322 -6.512 1.084 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.263 -3.848 3.355 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.857 -3.118 3.048 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.491 -2.763 1.963 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.956 -5.677 1.366 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.027 -5.489 2.872 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.324 -4.079 1.828 1.00 0.00 H new ATOM 1051 N MET A 68 4.369 -4.415 1.937 1.00 0.00 N ATOM 1052 CA MET A 68 5.596 -3.901 2.505 1.00 0.00 C ATOM 1053 C MET A 68 6.364 -3.006 1.547 1.00 0.00 C ATOM 1054 O MET A 68 6.811 -1.956 1.975 1.00 0.00 O ATOM 1055 CB MET A 68 6.493 -5.075 2.868 1.00 0.00 C ATOM 1056 CG MET A 68 7.105 -4.878 4.250 1.00 0.00 C ATOM 1057 SD MET A 68 8.704 -5.725 4.356 1.00 0.00 S ATOM 1058 CE MET A 68 9.560 -4.573 5.456 1.00 0.00 C ATOM 0 H MET A 68 4.225 -5.412 2.095 1.00 0.00 H new ATOM 0 HA MET A 68 5.322 -3.304 3.375 1.00 0.00 H new ATOM 0 HB2 MET A 68 5.916 -6.000 2.849 1.00 0.00 H new ATOM 0 HB3 MET A 68 7.284 -5.178 2.126 1.00 0.00 H new ATOM 0 HG2 MET A 68 7.235 -3.814 4.449 1.00 0.00 H new ATOM 0 HG3 MET A 68 6.429 -5.265 5.013 1.00 0.00 H new ATOM 0 HE1 MET A 68 10.573 -4.930 5.640 1.00 0.00 H new ATOM 0 HE2 MET A 68 9.601 -3.588 4.991 1.00 0.00 H new ATOM 0 HE3 MET A 68 9.022 -4.505 6.402 1.00 0.00 H new ATOM 1068 N MET A 69 6.457 -3.376 0.273 1.00 0.00 N ATOM 1069 CA MET A 69 6.996 -2.560 -0.784 1.00 0.00 C ATOM 1070 C MET A 69 6.075 -1.462 -1.290 1.00 0.00 C ATOM 1071 O MET A 69 6.566 -0.419 -1.678 1.00 0.00 O ATOM 1072 CB MET A 69 7.311 -3.470 -1.953 1.00 0.00 C ATOM 1073 CG MET A 69 8.536 -4.316 -1.666 1.00 0.00 C ATOM 1074 SD MET A 69 10.034 -3.295 -1.729 1.00 0.00 S ATOM 1075 CE MET A 69 11.217 -4.562 -2.224 1.00 0.00 C ATOM 0 H MET A 69 6.144 -4.290 -0.053 1.00 0.00 H new ATOM 0 HA MET A 69 7.868 -2.058 -0.365 1.00 0.00 H new ATOM 0 HB2 MET A 69 6.457 -4.116 -2.156 1.00 0.00 H new ATOM 0 HB3 MET A 69 7.479 -2.873 -2.849 1.00 0.00 H new ATOM 0 HG2 MET A 69 8.444 -4.779 -0.684 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.607 -5.124 -2.394 1.00 0.00 H new ATOM 0 HE1 MET A 69 12.208 -4.118 -2.316 1.00 0.00 H new ATOM 0 HE2 MET A 69 11.241 -5.351 -1.473 1.00 0.00 H new ATOM 0 HE3 MET A 69 10.918 -4.984 -3.184 1.00 0.00 H new ATOM 1085 N MET A 70 4.770 -1.645 -1.294 1.00 0.00 N ATOM 1086 CA MET A 70 3.791 -0.665 -1.685 1.00 0.00 C ATOM 1087 C MET A 70 3.993 0.592 -0.859 1.00 0.00 C ATOM 1088 O MET A 70 3.801 1.669 -1.358 1.00 0.00 O ATOM 1089 CB MET A 70 2.390 -1.250 -1.480 1.00 0.00 C ATOM 1090 CG MET A 70 1.724 -0.803 -0.179 1.00 0.00 C ATOM 1091 SD MET A 70 0.959 0.830 -0.302 1.00 0.00 S ATOM 1092 CE MET A 70 -0.116 0.769 1.121 1.00 0.00 C ATOM 0 H MET A 70 4.348 -2.529 -1.009 1.00 0.00 H new ATOM 0 HA MET A 70 3.903 -0.405 -2.738 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.758 -0.961 -2.320 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.455 -2.338 -1.490 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.966 -1.533 0.104 1.00 0.00 H new ATOM 0 HG3 MET A 70 2.468 -0.791 0.618 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.155 0.746 0.792 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.100 -0.127 1.702 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.049 1.651 1.740 1.00 0.00 H new ATOM 1102 N LEU A 71 4.361 0.463 0.421 1.00 0.00 N ATOM 1103 CA LEU A 71 4.498 1.589 1.302 1.00 0.00 C ATOM 1104 C LEU A 71 5.914 2.079 1.138 1.00 0.00 C ATOM 1105 O LEU A 71 6.309 2.892 1.930 1.00 0.00 O ATOM 1106 CB LEU A 71 4.173 1.192 2.748 1.00 0.00 C ATOM 1107 CG LEU A 71 2.740 0.730 2.968 1.00 0.00 C ATOM 1108 CD1 LEU A 71 2.689 -0.629 3.632 1.00 0.00 C ATOM 1109 CD2 LEU A 71 1.934 1.740 3.760 1.00 0.00 C ATOM 0 H LEU A 71 4.569 -0.434 0.859 1.00 0.00 H new ATOM 0 HA LEU A 71 3.796 2.386 1.057 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.850 0.394 3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.371 2.044 3.399 1.00 0.00 H new ATOM 0 HG LEU A 71 2.285 0.643 1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.650 -0.926 3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.193 -1.361 3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.187 -0.580 4.600 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.918 1.370 3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.397 1.890 4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.907 2.687 3.221 1.00 0.00 H new ATOM 1121 N ASN A 72 6.692 1.576 0.196 1.00 0.00 N ATOM 1122 CA ASN A 72 8.031 2.007 -0.132 1.00 0.00 C ATOM 1123 C ASN A 72 8.106 2.505 -1.570 1.00 0.00 C ATOM 1124 O ASN A 72 9.194 2.847 -2.026 1.00 0.00 O ATOM 1125 CB ASN A 72 8.976 0.831 0.072 1.00 0.00 C ATOM 1126 CG ASN A 72 9.140 0.452 1.518 1.00 0.00 C ATOM 1127 OD1 ASN A 72 9.249 1.290 2.407 1.00 0.00 O ATOM 1128 ND2 ASN A 72 9.308 -0.818 1.770 1.00 0.00 N ATOM 0 H ASN A 72 6.381 0.806 -0.396 1.00 0.00 H new ATOM 0 HA ASN A 72 8.317 2.835 0.517 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.602 -0.029 -0.483 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.952 1.080 -0.346 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.533 -1.125 2.716 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.214 -1.503 1.020 1.00 0.00 H new ATOM 1135 N GLU A 73 6.987 2.454 -2.294 1.00 0.00 N ATOM 1136 CA GLU A 73 6.944 2.873 -3.666 1.00 0.00 C ATOM 1137 C GLU A 73 7.175 4.373 -3.776 1.00 0.00 C ATOM 1138 O GLU A 73 7.243 5.097 -2.764 1.00 0.00 O ATOM 1139 CB GLU A 73 5.607 2.446 -4.297 1.00 0.00 C ATOM 1140 CG GLU A 73 5.849 1.372 -5.364 1.00 0.00 C ATOM 1141 CD GLU A 73 4.544 0.817 -5.906 1.00 0.00 C ATOM 1142 OE1 GLU A 73 3.804 1.608 -6.525 1.00 0.00 O ATOM 1143 OE2 GLU A 73 4.281 -0.375 -5.600 1.00 0.00 O ATOM 0 H GLU A 73 6.094 2.119 -1.932 1.00 0.00 H new ATOM 0 HA GLU A 73 7.747 2.386 -4.220 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.939 2.061 -3.527 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.114 3.310 -4.744 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.432 1.796 -6.182 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.440 0.562 -4.938 1.00 0.00 H new ATOM 1150 N PRO A 74 7.216 4.902 -4.993 1.00 0.00 N ATOM 1151 CA PRO A 74 7.368 6.329 -5.258 1.00 0.00 C ATOM 1152 C PRO A 74 6.076 7.102 -4.949 1.00 0.00 C ATOM 1153 O PRO A 74 5.705 8.052 -5.641 1.00 0.00 O ATOM 1154 CB PRO A 74 7.797 6.438 -6.734 1.00 0.00 C ATOM 1155 CG PRO A 74 7.395 5.132 -7.390 1.00 0.00 C ATOM 1156 CD PRO A 74 7.092 4.180 -6.253 1.00 0.00 C ATOM 0 HA PRO A 74 8.118 6.784 -4.611 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.309 7.283 -7.219 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.872 6.600 -6.816 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.523 5.267 -8.030 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.197 4.747 -8.020 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.086 3.774 -6.358 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.781 3.335 -6.274 1.00 0.00 H new ATOM 1164 N MET A 75 5.416 6.756 -3.865 1.00 0.00 N ATOM 1165 CA MET A 75 4.206 7.386 -3.456 1.00 0.00 C ATOM 1166 C MET A 75 3.882 7.025 -2.044 1.00 0.00 C ATOM 1167 O MET A 75 2.744 7.207 -1.702 1.00 0.00 O ATOM 1168 CB MET A 75 3.078 6.972 -4.410 1.00 0.00 C ATOM 1169 CG MET A 75 2.183 8.173 -4.710 1.00 0.00 C ATOM 1170 SD MET A 75 0.522 7.951 -4.001 1.00 0.00 S ATOM 1171 CE MET A 75 0.412 9.491 -3.066 1.00 0.00 C ATOM 0 H MET A 75 5.723 6.012 -3.239 1.00 0.00 H new ATOM 0 HA MET A 75 4.322 8.469 -3.498 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.499 6.581 -5.336 1.00 0.00 H new ATOM 0 HB3 MET A 75 2.489 6.171 -3.964 1.00 0.00 H new ATOM 0 HG2 MET A 75 2.636 9.078 -4.304 1.00 0.00 H new ATOM 0 HG3 MET A 75 2.105 8.311 -5.788 1.00 0.00 H new ATOM 0 HE1 MET A 75 -0.260 9.355 -2.219 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.402 9.768 -2.703 1.00 0.00 H new ATOM 0 HE3 MET A 75 0.028 10.282 -3.711 1.00 0.00 H new ATOM 1181 N TRP A 76 4.832 6.562 -1.230 1.00 0.00 N ATOM 1182 CA TRP A 76 4.602 6.150 0.141 1.00 0.00 C ATOM 1183 C TRP A 76 5.916 6.163 0.902 1.00 0.00 C ATOM 1184 O TRP A 76 6.707 5.246 0.813 1.00 0.00 O ATOM 1185 CB TRP A 76 3.932 4.778 0.175 1.00 0.00 C ATOM 1186 CG TRP A 76 2.554 4.679 -0.422 1.00 0.00 C ATOM 1187 CD1 TRP A 76 2.186 4.082 -1.571 1.00 0.00 C ATOM 1188 CD2 TRP A 76 1.370 5.406 -0.012 1.00 0.00 C ATOM 1189 NE1 TRP A 76 0.871 4.333 -1.847 1.00 0.00 N ATOM 1190 CE2 TRP A 76 0.319 5.183 -0.947 1.00 0.00 C ATOM 1191 CE3 TRP A 76 1.116 6.315 1.020 1.00 0.00 C ATOM 1192 CZ2 TRP A 76 -0.931 5.750 -0.804 1.00 0.00 C ATOM 1193 CZ3 TRP A 76 -0.135 6.900 1.175 1.00 0.00 C ATOM 1194 CH2 TRP A 76 -1.144 6.609 0.266 1.00 0.00 C ATOM 0 H TRP A 76 5.805 6.464 -1.521 1.00 0.00 H new ATOM 0 HA TRP A 76 3.925 6.851 0.629 1.00 0.00 H new ATOM 0 HB2 TRP A 76 4.579 4.071 -0.345 1.00 0.00 H new ATOM 0 HB3 TRP A 76 3.876 4.453 1.214 1.00 0.00 H new ATOM 0 HD1 TRP A 76 2.840 3.486 -2.190 1.00 0.00 H new ATOM 0 HE1 TRP A 76 0.366 3.929 -2.636 1.00 0.00 H new ATOM 0 HE3 TRP A 76 1.908 6.567 1.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -1.722 5.531 -1.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -0.321 7.576 1.996 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -2.116 7.061 0.394 1.00 0.00 H new ATOM 1205 N ILE A 77 6.228 7.281 1.569 1.00 0.00 N ATOM 1206 CA ILE A 77 7.532 7.476 2.203 1.00 0.00 C ATOM 1207 C ILE A 77 7.304 7.926 3.625 1.00 0.00 C ATOM 1208 O ILE A 77 7.334 7.166 4.561 1.00 0.00 O ATOM 1209 CB ILE A 77 8.461 8.427 1.446 1.00 0.00 C ATOM 1210 CG1 ILE A 77 8.985 7.802 0.148 1.00 0.00 C ATOM 1211 CG2 ILE A 77 9.628 8.874 2.345 1.00 0.00 C ATOM 1212 CD1 ILE A 77 7.864 7.600 -0.870 1.00 0.00 C ATOM 0 H ILE A 77 5.588 8.067 1.682 1.00 0.00 H new ATOM 0 HA ILE A 77 8.060 6.522 2.186 1.00 0.00 H new ATOM 0 HB ILE A 77 7.876 9.304 1.170 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.755 8.443 -0.280 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.454 6.843 0.368 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.278 9.550 1.789 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.235 9.388 3.222 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.199 8.001 2.661 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.272 7.155 -1.777 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.106 6.938 -0.450 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.412 8.563 -1.109 1.00 0.00 H new ATOM 1224 N ARG A 78 7.065 9.203 3.842 1.00 0.00 N ATOM 1225 CA ARG A 78 6.826 9.725 5.179 1.00 0.00 C ATOM 1226 C ARG A 78 5.339 9.864 5.377 1.00 0.00 C ATOM 1227 O ARG A 78 4.810 9.664 6.431 1.00 0.00 O ATOM 1228 CB ARG A 78 7.490 11.087 5.345 1.00 0.00 C ATOM 1229 CG ARG A 78 6.872 12.140 4.403 1.00 0.00 C ATOM 1230 CD ARG A 78 7.892 13.207 4.019 1.00 0.00 C ATOM 1231 NE ARG A 78 7.925 14.282 5.015 1.00 0.00 N ATOM 1232 CZ ARG A 78 8.542 15.439 4.862 1.00 0.00 C ATOM 1233 NH1 ARG A 78 9.196 15.698 3.758 1.00 0.00 N ATOM 1234 NH2 ARG A 78 8.504 16.334 5.807 1.00 0.00 N ATOM 0 H ARG A 78 7.030 9.907 3.105 1.00 0.00 H new ATOM 0 HA ARG A 78 7.247 9.043 5.917 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.388 11.418 6.378 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.557 10.999 5.142 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.498 11.651 3.503 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.017 12.609 4.890 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.881 12.756 3.932 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.642 13.619 3.041 1.00 0.00 H new ATOM 0 HE ARG A 78 7.433 14.124 5.894 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.231 15.004 3.011 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.671 16.594 3.645 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.996 16.143 6.670 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.982 17.226 5.684 1.00 0.00 H new ATOM 1248 N MET A 79 4.621 10.200 4.313 1.00 0.00 N ATOM 1249 CA MET A 79 3.182 10.364 4.352 1.00 0.00 C ATOM 1250 C MET A 79 2.520 9.017 4.574 1.00 0.00 C ATOM 1251 O MET A 79 1.372 8.946 4.933 1.00 0.00 O ATOM 1252 CB MET A 79 2.682 10.952 3.026 1.00 0.00 C ATOM 1253 CG MET A 79 3.539 10.489 1.838 1.00 0.00 C ATOM 1254 SD MET A 79 2.678 10.622 0.266 1.00 0.00 S ATOM 1255 CE MET A 79 1.889 9.021 0.312 1.00 0.00 C ATOM 0 H MET A 79 5.029 10.367 3.393 1.00 0.00 H new ATOM 0 HA MET A 79 2.929 11.041 5.168 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.646 10.655 2.864 1.00 0.00 H new ATOM 0 HB3 MET A 79 2.697 12.040 3.082 1.00 0.00 H new ATOM 0 HG2 MET A 79 4.451 11.085 1.799 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.841 9.454 1.995 1.00 0.00 H new ATOM 0 HE1 MET A 79 1.049 9.009 -0.382 1.00 0.00 H new ATOM 0 HE2 MET A 79 2.607 8.253 0.025 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.529 8.822 1.321 1.00 0.00 H new ATOM 1265 N ARG A 80 3.237 7.923 4.312 1.00 0.00 N ATOM 1266 CA ARG A 80 2.750 6.609 4.562 1.00 0.00 C ATOM 1267 C ARG A 80 2.823 6.258 6.015 1.00 0.00 C ATOM 1268 O ARG A 80 2.139 5.367 6.402 1.00 0.00 O ATOM 1269 CB ARG A 80 3.533 5.559 3.818 1.00 0.00 C ATOM 1270 CG ARG A 80 4.985 5.579 4.222 1.00 0.00 C ATOM 1271 CD ARG A 80 5.541 4.254 4.673 1.00 0.00 C ATOM 1272 NE ARG A 80 6.895 4.336 5.239 1.00 0.00 N ATOM 1273 CZ ARG A 80 8.020 4.420 4.547 1.00 0.00 C ATOM 1274 NH1 ARG A 80 8.015 4.460 3.256 1.00 0.00 N ATOM 1275 NH2 ARG A 80 9.179 4.563 5.146 1.00 0.00 N ATOM 0 H ARG A 80 4.177 7.948 3.917 1.00 0.00 H new ATOM 0 HA ARG A 80 1.715 6.619 4.220 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.110 4.575 4.019 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.448 5.730 2.745 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.576 5.935 3.378 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.112 6.302 5.028 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.872 3.826 5.419 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.553 3.569 3.825 1.00 0.00 H new ATOM 0 HE ARG A 80 6.975 4.327 6.256 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.131 4.427 2.748 1.00 0.00 H new ATOM 0 HH12 ARG A 80 8.895 4.525 2.744 1.00 0.00 H new ATOM 0 HH21 ARG A 80 9.225 4.611 6.164 1.00 0.00 H new ATOM 0 HH22 ARG A 80 10.034 4.626 4.594 1.00 0.00 H new ATOM 1289 N ASP A 81 3.659 6.890 6.825 1.00 0.00 N ATOM 1290 CA ASP A 81 3.764 6.626 8.256 1.00 0.00 C ATOM 1291 C ASP A 81 2.389 6.522 8.921 1.00 0.00 C ATOM 1292 O ASP A 81 2.158 5.700 9.792 1.00 0.00 O ATOM 1293 CB ASP A 81 4.495 7.781 8.924 1.00 0.00 C ATOM 1294 CG ASP A 81 5.316 7.375 10.132 1.00 0.00 C ATOM 1295 OD1 ASP A 81 4.705 7.074 11.167 1.00 0.00 O ATOM 1296 OD2 ASP A 81 6.562 7.379 9.977 1.00 0.00 O ATOM 0 H ASP A 81 4.298 7.616 6.501 1.00 0.00 H new ATOM 0 HA ASP A 81 4.295 5.681 8.372 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.152 8.253 8.193 1.00 0.00 H new ATOM 0 HB3 ASP A 81 3.766 8.531 9.229 1.00 0.00 H new ATOM 1301 N GLN A 82 1.429 7.291 8.375 1.00 0.00 N ATOM 1302 CA GLN A 82 0.041 7.144 8.752 1.00 0.00 C ATOM 1303 C GLN A 82 -0.739 6.060 8.030 1.00 0.00 C ATOM 1304 O GLN A 82 -1.435 5.269 8.661 1.00 0.00 O ATOM 1305 CB GLN A 82 -0.637 8.471 8.528 1.00 0.00 C ATOM 1306 CG GLN A 82 -1.032 9.089 9.869 1.00 0.00 C ATOM 1307 CD GLN A 82 -0.089 10.222 10.253 1.00 0.00 C ATOM 1308 OE1 GLN A 82 -0.489 11.338 10.540 1.00 0.00 O ATOM 1309 NE2 GLN A 82 1.199 9.967 10.181 1.00 0.00 N ATOM 0 H GLN A 82 1.604 8.013 7.676 1.00 0.00 H new ATOM 0 HA GLN A 82 0.045 6.828 9.795 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.031 9.144 7.991 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.522 8.336 7.906 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -2.053 9.466 9.812 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.018 8.322 10.644 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.521 9.030 9.940 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.876 10.707 10.366 1.00 0.00 H new ATOM 1318 N VAL A 83 -0.609 5.990 6.715 1.00 0.00 N ATOM 1319 CA VAL A 83 -1.198 4.944 5.907 1.00 0.00 C ATOM 1320 C VAL A 83 -0.622 3.600 6.303 1.00 0.00 C ATOM 1321 O VAL A 83 -1.127 2.605 5.878 1.00 0.00 O ATOM 1322 CB VAL A 83 -1.017 5.224 4.416 1.00 0.00 C ATOM 1323 CG1 VAL A 83 -1.161 6.712 4.132 1.00 0.00 C ATOM 1324 CG2 VAL A 83 0.276 4.689 3.869 1.00 0.00 C ATOM 0 H VAL A 83 -0.080 6.673 6.173 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.272 4.922 6.092 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.810 4.687 3.895 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.029 6.893 3.065 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.153 7.046 4.437 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.405 7.264 4.690 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.345 4.920 2.806 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.112 5.150 4.395 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.311 3.609 4.008 1.00 0.00 H new ATOM 1334 N MET A 84 0.395 3.497 7.133 1.00 0.00 N ATOM 1335 CA MET A 84 1.047 2.281 7.533 1.00 0.00 C ATOM 1336 C MET A 84 0.178 1.607 8.552 1.00 0.00 C ATOM 1337 O MET A 84 -0.234 0.493 8.313 1.00 0.00 O ATOM 1338 CB MET A 84 2.381 2.618 8.175 1.00 0.00 C ATOM 1339 CG MET A 84 3.518 2.027 7.362 1.00 0.00 C ATOM 1340 SD MET A 84 5.042 1.893 8.321 1.00 0.00 S ATOM 1341 CE MET A 84 5.606 3.606 8.200 1.00 0.00 C ATOM 0 H MET A 84 0.811 4.319 7.572 1.00 0.00 H new ATOM 0 HA MET A 84 1.209 1.634 6.671 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.497 3.700 8.243 1.00 0.00 H new ATOM 0 HB3 MET A 84 2.412 2.229 9.193 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.230 1.040 7.001 1.00 0.00 H new ATOM 0 HG3 MET A 84 3.696 2.648 6.484 1.00 0.00 H new ATOM 0 HE1 MET A 84 6.653 3.624 7.899 1.00 0.00 H new ATOM 0 HE2 MET A 84 5.006 4.135 7.459 1.00 0.00 H new ATOM 0 HE3 MET A 84 5.499 4.094 9.169 1.00 0.00 H new ATOM 1351 N SER A 85 -0.184 2.310 9.634 1.00 0.00 N ATOM 1352 CA SER A 85 -1.064 1.759 10.658 1.00 0.00 C ATOM 1353 C SER A 85 -2.488 1.656 10.124 1.00 0.00 C ATOM 1354 O SER A 85 -3.377 1.218 10.837 1.00 0.00 O ATOM 1355 CB SER A 85 -1.058 2.647 11.903 1.00 0.00 C ATOM 1356 OG SER A 85 -1.601 1.942 13.004 1.00 0.00 O ATOM 0 H SER A 85 0.124 3.265 9.817 1.00 0.00 H new ATOM 0 HA SER A 85 -0.700 0.767 10.924 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.040 2.963 12.129 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.638 3.551 11.718 1.00 0.00 H new ATOM 0 HG SER A 85 -2.361 1.401 12.703 1.00 0.00 H new ATOM 1362 N MET A 86 -2.736 2.067 8.887 1.00 0.00 N ATOM 1363 CA MET A 86 -4.042 2.010 8.271 1.00 0.00 C ATOM 1364 C MET A 86 -4.067 0.972 7.169 1.00 0.00 C ATOM 1365 O MET A 86 -4.990 0.172 7.086 1.00 0.00 O ATOM 1366 CB MET A 86 -4.359 3.361 7.704 1.00 0.00 C ATOM 1367 CG MET A 86 -4.481 4.431 8.768 1.00 0.00 C ATOM 1368 SD MET A 86 -5.898 4.098 9.842 1.00 0.00 S ATOM 1369 CE MET A 86 -5.533 5.265 11.163 1.00 0.00 C ATOM 0 H MET A 86 -2.016 2.456 8.278 1.00 0.00 H new ATOM 0 HA MET A 86 -4.785 1.730 9.018 1.00 0.00 H new ATOM 0 HB2 MET A 86 -3.579 3.645 6.997 1.00 0.00 H new ATOM 0 HB3 MET A 86 -5.292 3.305 7.143 1.00 0.00 H new ATOM 0 HG2 MET A 86 -3.568 4.467 9.362 1.00 0.00 H new ATOM 0 HG3 MET A 86 -4.595 5.408 8.298 1.00 0.00 H new ATOM 0 HE1 MET A 86 -6.307 5.203 11.927 1.00 0.00 H new ATOM 0 HE2 MET A 86 -4.566 5.023 11.605 1.00 0.00 H new ATOM 0 HE3 MET A 86 -5.504 6.276 10.757 1.00 0.00 H new ATOM 1379 N ALA A 87 -2.971 0.801 6.457 1.00 0.00 N ATOM 1380 CA ALA A 87 -2.811 -0.155 5.385 1.00 0.00 C ATOM 1381 C ALA A 87 -2.238 -1.435 5.967 1.00 0.00 C ATOM 1382 O ALA A 87 -1.594 -2.190 5.269 1.00 0.00 O ATOM 1383 CB ALA A 87 -1.928 0.422 4.274 1.00 0.00 C ATOM 0 H ALA A 87 -2.129 1.353 6.620 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.775 -0.378 4.928 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.820 -0.313 3.476 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.389 1.325 3.875 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.946 0.665 4.679 1.00 0.00 H new ATOM 1389 N HIS A 88 -2.406 -1.661 7.268 1.00 0.00 N ATOM 1390 CA HIS A 88 -1.950 -2.866 7.921 1.00 0.00 C ATOM 1391 C HIS A 88 -3.130 -3.754 8.231 1.00 0.00 C ATOM 1392 O HIS A 88 -2.961 -4.944 8.352 1.00 0.00 O ATOM 1393 CB HIS A 88 -1.163 -2.499 9.168 1.00 0.00 C ATOM 1394 CG HIS A 88 -1.964 -2.146 10.392 1.00 0.00 C ATOM 1395 ND1 HIS A 88 -3.157 -1.476 10.441 1.00 0.00 N flip ATOM 1396 CD2 HIS A 88 -1.636 -2.511 11.681 1.00 0.00 C flip ATOM 1397 CE1 HIS A 88 -3.535 -1.406 11.767 1.00 0.00 C flip ATOM 1398 NE2 HIS A 88 -2.593 -2.026 12.505 1.00 0.00 N flip ATOM 0 H HIS A 88 -2.867 -1.002 7.896 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.285 -3.425 7.263 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -0.511 -3.336 9.418 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.519 -1.654 8.927 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -0.769 -3.082 11.979 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.430 -0.936 12.147 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -2.600 -2.115 13.521 1.00 0.00 H new ATOM 1407 N ASN A 89 -4.313 -3.167 8.407 1.00 0.00 N ATOM 1408 CA ASN A 89 -5.519 -3.871 8.674 1.00 0.00 C ATOM 1409 C ASN A 89 -6.427 -3.784 7.495 1.00 0.00 C ATOM 1410 O ASN A 89 -7.172 -4.697 7.383 1.00 0.00 O ATOM 1411 CB ASN A 89 -6.280 -3.262 9.836 1.00 0.00 C ATOM 1412 CG ASN A 89 -5.824 -3.875 11.137 1.00 0.00 C ATOM 1413 OD1 ASN A 89 -4.541 -4.117 11.260 1.00 0.00 O flip ATOM 1414 ND2 ASN A 89 -6.571 -4.085 12.062 1.00 0.00 N flip ATOM 0 H ASN A 89 -4.439 -2.156 8.362 1.00 0.00 H new ATOM 0 HA ASN A 89 -5.236 -4.899 8.903 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.122 -2.184 9.859 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.350 -3.424 9.704 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -7.569 -3.896 11.965 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -6.204 -4.451 12.941 1.00 0.00 H new ATOM 1421 N LEU A 90 -6.353 -2.749 6.646 1.00 0.00 N ATOM 1422 CA LEU A 90 -7.078 -2.694 5.381 1.00 0.00 C ATOM 1423 C LEU A 90 -6.782 -3.895 4.443 1.00 0.00 C ATOM 1424 O LEU A 90 -7.619 -4.535 3.805 1.00 0.00 O ATOM 1425 CB LEU A 90 -6.718 -1.383 4.679 1.00 0.00 C ATOM 1426 CG LEU A 90 -7.584 -0.212 5.124 1.00 0.00 C ATOM 1427 CD1 LEU A 90 -6.958 1.092 4.664 1.00 0.00 C ATOM 1428 CD2 LEU A 90 -8.977 -0.304 4.533 1.00 0.00 C ATOM 0 H LEU A 90 -5.782 -1.923 6.825 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.143 -2.746 5.607 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.672 -1.148 4.874 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.820 -1.514 3.602 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.653 -0.245 6.211 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.581 1.927 4.984 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.964 1.192 5.100 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.879 1.094 3.577 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.572 0.546 4.869 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.912 -0.294 3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.450 -1.230 4.860 1.00 0.00 H new ATOM 1440 N PRO A 91 -5.517 -4.269 4.302 1.00 0.00 N ATOM 1441 CA PRO A 91 -5.190 -5.429 3.534 1.00 0.00 C ATOM 1442 C PRO A 91 -5.483 -6.694 4.295 1.00 0.00 C ATOM 1443 O PRO A 91 -5.481 -7.748 3.737 1.00 0.00 O ATOM 1444 CB PRO A 91 -3.729 -5.302 3.200 1.00 0.00 C ATOM 1445 CG PRO A 91 -3.153 -4.339 4.204 1.00 0.00 C ATOM 1446 CD PRO A 91 -4.338 -3.674 4.847 1.00 0.00 C ATOM 0 HA PRO A 91 -5.794 -5.490 2.629 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.231 -6.270 3.258 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.592 -4.933 2.183 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -2.546 -4.860 4.944 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -2.507 -3.607 3.720 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.309 -3.803 5.929 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.326 -2.601 4.654 1.00 0.00 H new ATOM 1454 N ILE A 92 -5.723 -6.656 5.577 1.00 0.00 N ATOM 1455 CA ILE A 92 -6.066 -7.831 6.335 1.00 0.00 C ATOM 1456 C ILE A 92 -7.564 -8.018 6.381 1.00 0.00 C ATOM 1457 O ILE A 92 -8.003 -9.143 6.281 1.00 0.00 O ATOM 1458 CB ILE A 92 -5.476 -7.669 7.727 1.00 0.00 C ATOM 1459 CG1 ILE A 92 -4.001 -8.056 7.733 1.00 0.00 C ATOM 1460 CG2 ILE A 92 -6.294 -8.434 8.769 1.00 0.00 C ATOM 1461 CD1 ILE A 92 -3.541 -8.670 9.044 1.00 0.00 C ATOM 0 H ILE A 92 -5.686 -5.801 6.132 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.657 -8.725 5.865 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.530 -6.617 8.009 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.816 -8.764 6.925 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.400 -7.171 7.525 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -5.847 -8.298 9.754 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.316 -8.055 8.779 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -6.303 -9.495 8.517 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.482 -8.921 8.977 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.694 -7.956 9.854 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.116 -9.574 9.244 1.00 0.00 H new ATOM 1473 N GLU A 93 -8.346 -6.978 6.563 1.00 0.00 N ATOM 1474 CA GLU A 93 -9.791 -6.984 6.641 1.00 0.00 C ATOM 1475 C GLU A 93 -10.358 -7.633 5.393 1.00 0.00 C ATOM 1476 O GLU A 93 -11.244 -8.462 5.499 1.00 0.00 O ATOM 1477 CB GLU A 93 -10.364 -5.577 6.811 1.00 0.00 C ATOM 1478 CG GLU A 93 -9.960 -4.644 5.700 1.00 0.00 C ATOM 1479 CD GLU A 93 -10.642 -3.310 5.713 1.00 0.00 C ATOM 1480 OE1 GLU A 93 -11.208 -2.940 6.760 1.00 0.00 O ATOM 1481 OE2 GLU A 93 -10.629 -2.670 4.650 1.00 0.00 O ATOM 0 H GLU A 93 -7.962 -6.039 6.668 1.00 0.00 H new ATOM 0 HA GLU A 93 -10.079 -7.556 7.523 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -11.452 -5.635 6.853 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -10.030 -5.166 7.764 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.883 -4.485 5.753 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -10.164 -5.130 4.746 1.00 0.00 H new ATOM 1488 N CYS A 94 -9.760 -7.324 4.235 1.00 0.00 N ATOM 1489 CA CYS A 94 -10.188 -7.891 2.989 1.00 0.00 C ATOM 1490 C CYS A 94 -9.695 -9.306 2.901 1.00 0.00 C ATOM 1491 O CYS A 94 -10.256 -10.004 2.064 1.00 0.00 O ATOM 1492 CB CYS A 94 -9.664 -7.079 1.806 1.00 0.00 C ATOM 1493 SG CYS A 94 -10.800 -5.837 1.175 1.00 0.00 S ATOM 0 H CYS A 94 -8.975 -6.678 4.155 1.00 0.00 H new ATOM 0 HA CYS A 94 -11.277 -7.873 2.949 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -8.739 -6.586 2.104 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -9.413 -7.765 0.997 1.00 0.00 H new ATOM 1498 N ASN A 95 -8.655 -9.672 3.671 1.00 0.00 N ATOM 1499 CA ASN A 95 -8.074 -11.009 3.799 1.00 0.00 C ATOM 1500 C ASN A 95 -6.920 -11.078 2.790 1.00 0.00 C ATOM 1501 O ASN A 95 -6.667 -12.058 2.110 1.00 0.00 O ATOM 1502 CB ASN A 95 -9.126 -12.083 3.535 1.00 0.00 C ATOM 1503 CG ASN A 95 -8.754 -13.387 4.165 1.00 0.00 C ATOM 1504 OD1 ASN A 95 -9.484 -13.914 4.989 1.00 0.00 O ATOM 1505 ND2 ASN A 95 -7.593 -13.901 3.864 1.00 0.00 N ATOM 0 H ASN A 95 -8.170 -8.992 4.257 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.706 -11.191 4.809 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -10.089 -11.753 3.924 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.246 -12.219 2.460 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -7.281 -14.758 4.320 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -6.997 -13.445 3.173 1.00 0.00 H new ATOM 1512 N LEU A 96 -6.266 -9.979 2.519 1.00 0.00 N ATOM 1513 CA LEU A 96 -5.188 -9.913 1.571 1.00 0.00 C ATOM 1514 C LEU A 96 -3.935 -10.398 2.274 1.00 0.00 C ATOM 1515 O LEU A 96 -3.383 -11.408 1.882 1.00 0.00 O ATOM 1516 CB LEU A 96 -5.074 -8.525 0.962 1.00 0.00 C ATOM 1517 CG LEU A 96 -6.416 -7.868 0.629 1.00 0.00 C ATOM 1518 CD1 LEU A 96 -6.265 -6.370 0.541 1.00 0.00 C ATOM 1519 CD2 LEU A 96 -7.014 -8.458 -0.644 1.00 0.00 C ATOM 0 H LEU A 96 -6.474 -9.084 2.963 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.367 -10.562 0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.530 -7.882 1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.479 -8.589 0.051 1.00 0.00 H new ATOM 0 HG LEU A 96 -7.116 -8.080 1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.229 -5.920 0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.910 -5.983 1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.547 -6.122 -0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.967 -7.973 -0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.330 -8.295 -1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -7.173 -9.528 -0.509 1.00 0.00 H new ATOM 1531 N MET A 97 -3.560 -9.753 3.373 1.00 0.00 N ATOM 1532 CA MET A 97 -2.377 -10.069 4.134 1.00 0.00 C ATOM 1533 C MET A 97 -2.720 -10.503 5.522 1.00 0.00 C ATOM 1534 O MET A 97 -1.845 -10.384 6.353 1.00 0.00 O ATOM 1535 CB MET A 97 -1.414 -8.882 4.115 1.00 0.00 C ATOM 1536 CG MET A 97 -1.869 -7.790 5.064 1.00 0.00 C ATOM 1537 SD MET A 97 -0.857 -7.681 6.568 1.00 0.00 S ATOM 1538 CE MET A 97 0.030 -6.189 6.244 1.00 0.00 C ATOM 0 H MET A 97 -4.092 -8.975 3.763 1.00 0.00 H new ATOM 0 HA MET A 97 -1.873 -10.915 3.668 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.415 -9.217 4.394 1.00 0.00 H new ATOM 0 HB3 MET A 97 -1.345 -8.482 3.103 1.00 0.00 H new ATOM 0 HG2 MET A 97 -1.841 -6.832 4.545 1.00 0.00 H new ATOM 0 HG3 MET A 97 -2.907 -7.971 5.344 1.00 0.00 H new ATOM 0 HE1 MET A 97 0.752 -6.014 7.042 1.00 0.00 H new ATOM 0 HE2 MET A 97 0.555 -6.277 5.293 1.00 0.00 H new ATOM 0 HE3 MET A 97 -0.668 -5.353 6.197 1.00 0.00 H new ATOM 1548 N SER A 98 -3.954 -10.972 5.763 1.00 0.00 N ATOM 1549 CA SER A 98 -4.429 -11.364 7.092 1.00 0.00 C ATOM 1550 C SER A 98 -3.335 -11.975 7.982 1.00 0.00 C ATOM 1551 O SER A 98 -2.744 -11.368 8.872 1.00 0.00 O ATOM 1552 CB SER A 98 -5.569 -12.355 6.972 1.00 0.00 C ATOM 1553 OG SER A 98 -5.966 -12.783 8.254 1.00 0.00 O ATOM 0 H SER A 98 -4.655 -11.090 5.031 1.00 0.00 H new ATOM 0 HA SER A 98 -4.762 -10.443 7.571 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.411 -11.894 6.456 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.258 -13.211 6.373 1.00 0.00 H new ATOM 0 HG SER A 98 -6.704 -13.422 8.171 1.00 0.00 H new ATOM 1559 N GLN A 99 -2.942 -13.186 7.679 1.00 0.00 N ATOM 1560 CA GLN A 99 -1.730 -13.755 8.256 1.00 0.00 C ATOM 1561 C GLN A 99 -1.078 -14.781 7.321 1.00 0.00 C ATOM 1562 O GLN A 99 -0.865 -15.943 7.674 1.00 0.00 O ATOM 1563 CB GLN A 99 -2.197 -14.333 9.577 1.00 0.00 C ATOM 1564 CG GLN A 99 -1.323 -13.817 10.703 1.00 0.00 C ATOM 1565 CD GLN A 99 -1.295 -14.835 11.825 1.00 0.00 C ATOM 1566 OE1 GLN A 99 -0.286 -15.441 12.135 1.00 0.00 O ATOM 1567 NE2 GLN A 99 -2.413 -15.031 12.488 1.00 0.00 N ATOM 0 H GLN A 99 -3.437 -13.805 7.037 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.937 -13.022 8.405 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.237 -14.059 9.757 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.156 -15.422 9.543 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -0.312 -13.633 10.339 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -1.708 -12.865 11.070 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -3.257 -14.522 12.226 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -2.436 -15.692 13.264 1.00 0.00 H new ATOM 1576 N PRO A 100 -0.831 -14.407 6.061 1.00 0.00 N ATOM 1577 CA PRO A 100 -0.254 -15.310 5.093 1.00 0.00 C ATOM 1578 C PRO A 100 1.213 -15.494 5.374 1.00 0.00 C ATOM 1579 O PRO A 100 1.586 -16.642 5.405 1.00 0.00 O ATOM 1580 CB PRO A 100 -0.455 -14.675 3.717 1.00 0.00 C ATOM 1581 CG PRO A 100 -0.760 -13.225 3.980 1.00 0.00 C ATOM 1582 CD PRO A 100 -0.998 -13.102 5.465 1.00 0.00 C ATOM 0 HA PRO A 100 -0.728 -16.291 5.139 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.438 -14.782 3.102 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -1.272 -15.156 3.179 1.00 0.00 H new ATOM 0 HG2 PRO A 100 0.069 -12.591 3.666 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.637 -12.905 3.418 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.298 -12.392 5.904 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.001 -12.722 5.659 1.00 0.00 H new ATOM 1590 N CYS A 101 2.017 -14.425 5.443 1.00 0.00 N ATOM 1591 CA CYS A 101 3.434 -14.506 5.715 1.00 0.00 C ATOM 1592 C CYS A 101 3.714 -15.544 6.806 1.00 0.00 C ATOM 1593 O CYS A 101 3.081 -15.515 7.863 1.00 0.00 O ATOM 1594 CB CYS A 101 3.950 -13.127 6.127 1.00 0.00 C ATOM 1595 SG CYS A 101 3.084 -11.580 5.604 1.00 0.00 S ATOM 0 H CYS A 101 1.683 -13.471 5.307 1.00 0.00 H new ATOM 0 HA CYS A 101 3.957 -14.825 4.813 1.00 0.00 H new ATOM 0 HB2 CYS A 101 3.990 -13.116 7.216 1.00 0.00 H new ATOM 0 HB3 CYS A 101 4.977 -13.052 5.769 1.00 0.00 H new