USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 488 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 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.196 K(o=-0.2,f=-2.3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -136:sc= -2.57! (180deg=-6!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.638 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -173:sc= 0 (180deg=-0.0842) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 155:sc= -0.419 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -137:sc= -0.11 (180deg=-1.1) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -130:sc=-0.00651 (180deg=-0.88) USER MOD ----------------------------------------------------------------- ATOM 132 N GLU A 12 -5.675 5.876 -9.937 1.00 0.00 N ATOM 133 CA GLU A 12 -4.577 6.400 -9.133 1.00 0.00 C ATOM 134 C GLU A 12 -4.637 5.855 -7.709 1.00 0.00 C ATOM 135 O GLU A 12 -4.156 6.490 -6.770 1.00 0.00 O ATOM 136 CB GLU A 12 -4.618 7.929 -9.108 1.00 0.00 C ATOM 137 CG GLU A 12 -4.046 8.574 -10.359 1.00 0.00 C ATOM 138 CD GLU A 12 -4.301 10.068 -10.415 1.00 0.00 C ATOM 139 OE1 GLU A 12 -5.467 10.462 -10.629 1.00 0.00 O ATOM 140 OE2 GLU A 12 -3.336 10.842 -10.244 1.00 0.00 O ATOM 0 HA GLU A 12 -3.641 6.077 -9.588 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.651 8.254 -8.981 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.063 8.285 -8.240 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.972 8.391 -10.399 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.483 8.102 -11.239 1.00 0.00 H new ATOM 147 N ILE A 13 -5.231 4.677 -7.557 1.00 0.00 N ATOM 148 CA ILE A 13 -5.354 4.047 -6.248 1.00 0.00 C ATOM 149 C ILE A 13 -5.021 2.560 -6.320 1.00 0.00 C ATOM 150 O ILE A 13 -5.373 1.881 -7.285 1.00 0.00 O ATOM 151 CB ILE A 13 -6.772 4.216 -5.673 1.00 0.00 C ATOM 152 CG1 ILE A 13 -7.308 5.615 -5.981 1.00 0.00 C ATOM 153 CG2 ILE A 13 -6.769 3.963 -4.173 1.00 0.00 C ATOM 154 CD1 ILE A 13 -6.732 6.693 -5.089 1.00 0.00 C ATOM 0 H ILE A 13 -5.635 4.139 -8.324 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.642 4.545 -5.590 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.428 3.484 -6.144 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.088 5.859 -7.020 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.393 5.610 -5.877 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -7.779 4.086 -3.781 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.425 2.948 -3.976 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.101 4.673 -3.686 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.157 7.658 -5.364 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.974 6.473 -4.049 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.649 6.725 -5.210 1.00 0.00 H new ATOM 166 N ILE A 14 -4.341 2.061 -5.293 1.00 0.00 N ATOM 167 CA ILE A 14 -3.963 0.655 -5.239 1.00 0.00 C ATOM 168 C ILE A 14 -4.024 0.124 -3.811 1.00 0.00 C ATOM 169 O ILE A 14 -3.375 0.658 -2.912 1.00 0.00 O ATOM 170 CB ILE A 14 -2.546 0.431 -5.798 1.00 0.00 C ATOM 171 CG1 ILE A 14 -2.239 1.452 -6.895 1.00 0.00 C ATOM 172 CG2 ILE A 14 -2.405 -0.987 -6.332 1.00 0.00 C ATOM 173 CD1 ILE A 14 -0.791 1.453 -7.332 1.00 0.00 C ATOM 0 H ILE A 14 -4.041 2.610 -4.487 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.678 0.112 -5.857 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.827 0.567 -4.990 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.871 1.246 -7.759 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.503 2.447 -6.538 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.398 -1.130 -6.724 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.585 -1.699 -5.526 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.131 -1.150 -7.129 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.647 2.201 -8.112 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.154 1.689 -6.480 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.527 0.469 -7.720 1.00 0.00 H new ATOM 185 N GLU A 15 -4.807 -0.931 -3.610 1.00 0.00 N ATOM 186 CA GLU A 15 -4.951 -1.535 -2.291 1.00 0.00 C ATOM 187 C GLU A 15 -4.343 -2.934 -2.263 1.00 0.00 C ATOM 188 O GLU A 15 -4.540 -3.727 -3.183 1.00 0.00 O ATOM 189 CB GLU A 15 -6.428 -1.601 -1.894 1.00 0.00 C ATOM 190 CG GLU A 15 -6.683 -2.401 -0.628 1.00 0.00 C ATOM 191 CD GLU A 15 -8.065 -3.023 -0.600 1.00 0.00 C ATOM 192 OE1 GLU A 15 -9.058 -2.266 -0.633 1.00 0.00 O ATOM 193 OE2 GLU A 15 -8.154 -4.268 -0.545 1.00 0.00 O ATOM 0 H GLU A 15 -5.351 -1.385 -4.344 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.417 -0.911 -1.574 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.804 -0.587 -1.755 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.996 -2.042 -2.713 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.933 -3.187 -0.542 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.564 -1.751 0.239 1.00 0.00 H new ATOM 200 N GLY A 16 -3.601 -3.230 -1.200 1.00 0.00 N ATOM 201 CA GLY A 16 -2.974 -4.532 -1.072 1.00 0.00 C ATOM 202 C GLY A 16 -2.743 -4.925 0.374 1.00 0.00 C ATOM 203 O GLY A 16 -2.892 -4.103 1.278 1.00 0.00 O ATOM 0 H GLY A 16 -3.423 -2.591 -0.425 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.601 -5.283 -1.554 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.021 -4.526 -1.600 1.00 0.00 H new ATOM 207 N GLU A 17 -2.379 -6.184 0.593 1.00 0.00 N ATOM 208 CA GLU A 17 -2.129 -6.684 1.940 1.00 0.00 C ATOM 209 C GLU A 17 -0.701 -6.374 2.379 1.00 0.00 C ATOM 210 O GLU A 17 0.260 -6.907 1.825 1.00 0.00 O ATOM 211 CB GLU A 17 -2.378 -8.192 2.003 1.00 0.00 C ATOM 212 CG GLU A 17 -2.201 -8.781 3.392 1.00 0.00 C ATOM 213 CD GLU A 17 -2.748 -10.191 3.503 1.00 0.00 C ATOM 214 OE1 GLU A 17 -2.089 -11.123 2.997 1.00 0.00 O ATOM 215 OE2 GLU A 17 -3.835 -10.362 4.094 1.00 0.00 O ATOM 0 H GLU A 17 -2.251 -6.877 -0.145 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.817 -6.181 2.620 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.390 -8.399 1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.697 -8.693 1.316 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.142 -8.785 3.648 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.702 -8.143 4.120 1.00 0.00 H new ATOM 222 N VAL A 18 -0.570 -5.508 3.379 1.00 0.00 N ATOM 223 CA VAL A 18 0.739 -5.127 3.894 1.00 0.00 C ATOM 224 C VAL A 18 1.605 -6.354 4.156 1.00 0.00 C ATOM 225 O VAL A 18 1.301 -7.167 5.028 1.00 0.00 O ATOM 226 CB VAL A 18 0.615 -4.312 5.195 1.00 0.00 C ATOM 227 CG1 VAL A 18 1.990 -3.901 5.701 1.00 0.00 C ATOM 228 CG2 VAL A 18 -0.268 -3.093 4.978 1.00 0.00 C ATOM 0 H VAL A 18 -1.355 -5.057 3.849 1.00 0.00 H new ATOM 0 HA VAL A 18 1.212 -4.509 3.131 1.00 0.00 H new ATOM 0 HB VAL A 18 0.148 -4.940 5.953 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.882 -3.326 6.621 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.587 -4.792 5.898 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.487 -3.290 4.948 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.344 -2.529 5.908 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.168 -2.461 4.205 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.262 -3.414 4.666 1.00 0.00 H new ATOM 238 N VAL A 19 2.688 -6.481 3.394 1.00 0.00 N ATOM 239 CA VAL A 19 3.600 -7.608 3.545 1.00 0.00 C ATOM 240 C VAL A 19 4.828 -7.216 4.358 1.00 0.00 C ATOM 241 O VAL A 19 5.258 -7.954 5.245 1.00 0.00 O ATOM 242 CB VAL A 19 4.055 -8.148 2.176 1.00 0.00 C ATOM 243 CG1 VAL A 19 5.015 -9.314 2.355 1.00 0.00 C ATOM 244 CG2 VAL A 19 2.853 -8.560 1.340 1.00 0.00 C ATOM 0 H VAL A 19 2.954 -5.817 2.667 1.00 0.00 H new ATOM 0 HA VAL A 19 3.053 -8.390 4.073 1.00 0.00 H new ATOM 0 HB VAL A 19 4.581 -7.353 1.647 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.326 -9.683 1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.891 -8.982 2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.517 -10.114 2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.193 -8.939 0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.297 -9.340 1.861 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.206 -7.697 1.183 1.00 0.00 H new ATOM 254 N GLU A 20 5.388 -6.050 4.051 1.00 0.00 N ATOM 255 CA GLU A 20 6.568 -5.561 4.754 1.00 0.00 C ATOM 256 C GLU A 20 6.680 -4.043 4.638 1.00 0.00 C ATOM 257 O GLU A 20 6.241 -3.452 3.651 1.00 0.00 O ATOM 258 CB GLU A 20 7.831 -6.221 4.198 1.00 0.00 C ATOM 259 CG GLU A 20 9.041 -6.082 5.106 1.00 0.00 C ATOM 260 CD GLU A 20 9.155 -7.217 6.105 1.00 0.00 C ATOM 261 OE1 GLU A 20 8.118 -7.841 6.413 1.00 0.00 O ATOM 262 OE2 GLU A 20 10.280 -7.482 6.577 1.00 0.00 O ATOM 0 H GLU A 20 5.044 -5.427 3.321 1.00 0.00 H new ATOM 0 HA GLU A 20 6.465 -5.821 5.808 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.633 -7.280 4.030 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.063 -5.782 3.228 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.945 -6.046 4.498 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.981 -5.135 5.643 1.00 0.00 H new ATOM 269 N ILE A 21 7.270 -3.420 5.652 1.00 0.00 N ATOM 270 CA ILE A 21 7.441 -1.973 5.664 1.00 0.00 C ATOM 271 C ILE A 21 8.801 -1.584 6.233 1.00 0.00 C ATOM 272 O ILE A 21 9.108 -1.881 7.387 1.00 0.00 O ATOM 273 CB ILE A 21 6.336 -1.282 6.485 1.00 0.00 C ATOM 274 CG1 ILE A 21 4.962 -1.577 5.882 1.00 0.00 C ATOM 275 CG2 ILE A 21 6.582 0.218 6.548 1.00 0.00 C ATOM 276 CD1 ILE A 21 3.819 -1.366 6.850 1.00 0.00 C ATOM 0 H ILE A 21 7.638 -3.895 6.476 1.00 0.00 H new ATOM 0 HA ILE A 21 7.375 -1.639 4.628 1.00 0.00 H new ATOM 0 HB ILE A 21 6.358 -1.677 7.501 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.812 -0.939 5.011 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.943 -2.608 5.529 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.793 0.692 7.131 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.546 0.409 7.019 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.584 0.629 5.539 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.875 -1.594 6.354 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.945 -2.023 7.710 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.812 -0.328 7.184 1.00 0.00 H new ATOM 288 N GLN A 22 9.610 -0.918 5.416 1.00 0.00 N ATOM 289 CA GLN A 22 10.937 -0.487 5.840 1.00 0.00 C ATOM 290 C GLN A 22 11.119 1.011 5.620 1.00 0.00 C ATOM 291 O GLN A 22 10.500 1.598 4.732 1.00 0.00 O ATOM 292 CB GLN A 22 12.015 -1.261 5.078 1.00 0.00 C ATOM 293 CG GLN A 22 12.243 -2.667 5.609 1.00 0.00 C ATOM 294 CD GLN A 22 12.697 -3.631 4.531 1.00 0.00 C ATOM 295 OE1 GLN A 22 12.826 -3.260 3.364 1.00 0.00 O ATOM 296 NE2 GLN A 22 12.941 -4.879 4.916 1.00 0.00 N ATOM 0 H GLN A 22 9.370 -0.665 4.457 1.00 0.00 H new ATOM 0 HA GLN A 22 11.035 -0.694 6.906 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.734 -1.320 4.027 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.952 -0.706 5.127 1.00 0.00 H new ATOM 0 HG2 GLN A 22 12.991 -2.635 6.401 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.320 -3.036 6.056 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.821 -5.144 5.894 1.00 0.00 H new ATOM 0 HE22 GLN A 22 13.248 -5.572 4.234 1.00 0.00 H new ATOM 305 N ILE A 23 11.972 1.624 6.434 1.00 0.00 N ATOM 306 CA ILE A 23 12.235 3.054 6.327 1.00 0.00 C ATOM 307 C ILE A 23 13.713 3.358 6.550 1.00 0.00 C ATOM 308 O ILE A 23 14.273 3.035 7.598 1.00 0.00 O ATOM 309 CB ILE A 23 11.399 3.858 7.340 1.00 0.00 C ATOM 310 CG1 ILE A 23 9.951 3.974 6.860 1.00 0.00 C ATOM 311 CG2 ILE A 23 12.005 5.237 7.551 1.00 0.00 C ATOM 312 CD1 ILE A 23 9.129 2.729 7.112 1.00 0.00 C ATOM 0 H ILE A 23 12.492 1.153 7.174 1.00 0.00 H new ATOM 0 HA ILE A 23 11.952 3.353 5.318 1.00 0.00 H new ATOM 0 HB ILE A 23 11.405 3.331 8.294 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.478 4.819 7.360 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.947 4.192 5.792 1.00 0.00 H new ATOM 0 HG21 ILE A 23 11.403 5.793 8.270 1.00 0.00 H new ATOM 0 HG22 ILE A 23 13.021 5.134 7.932 1.00 0.00 H new ATOM 0 HG23 ILE A 23 12.026 5.774 6.603 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.114 2.883 6.746 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.578 1.884 6.590 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.102 2.521 8.182 1.00 0.00 H new ATOM 437 N LYS A 33 13.490 11.390 3.535 1.00 0.00 N ATOM 438 CA LYS A 33 13.144 10.067 4.039 1.00 0.00 C ATOM 439 C LYS A 33 12.676 9.158 2.907 1.00 0.00 C ATOM 440 O LYS A 33 11.831 9.543 2.098 1.00 0.00 O ATOM 441 CB LYS A 33 12.052 10.174 5.106 1.00 0.00 C ATOM 442 CG LYS A 33 12.570 10.609 6.466 1.00 0.00 C ATOM 443 CD LYS A 33 11.566 10.311 7.566 1.00 0.00 C ATOM 444 CE LYS A 33 11.723 8.894 8.096 1.00 0.00 C ATOM 445 NZ LYS A 33 12.791 8.803 9.129 1.00 0.00 N ATOM 0 HA LYS A 33 14.038 9.631 4.485 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.296 10.884 4.770 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.558 9.207 5.207 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.508 10.097 6.680 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.787 11.677 6.449 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.697 11.022 8.382 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.555 10.447 7.183 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.777 8.559 8.521 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.958 8.222 7.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.867 7.822 9.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.699 9.099 8.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.555 9.425 9.928 1.00 0.00 H new ATOM 459 N VAL A 34 13.228 7.950 2.856 1.00 0.00 N ATOM 460 CA VAL A 34 12.865 6.986 1.825 1.00 0.00 C ATOM 461 C VAL A 34 12.579 5.616 2.429 1.00 0.00 C ATOM 462 O VAL A 34 13.437 5.021 3.079 1.00 0.00 O ATOM 463 CB VAL A 34 13.979 6.847 0.769 1.00 0.00 C ATOM 464 CG1 VAL A 34 14.506 8.215 0.366 1.00 0.00 C ATOM 465 CG2 VAL A 34 15.103 5.967 1.295 1.00 0.00 C ATOM 0 H VAL A 34 13.929 7.616 3.517 1.00 0.00 H new ATOM 0 HA VAL A 34 11.963 7.363 1.343 1.00 0.00 H new ATOM 0 HB VAL A 34 13.559 6.371 -0.117 1.00 0.00 H new ATOM 0 HG11 VAL A 34 15.292 8.097 -0.380 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.694 8.809 -0.053 1.00 0.00 H new ATOM 0 HG13 VAL A 34 14.911 8.722 1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 34 15.881 5.879 0.537 1.00 0.00 H new ATOM 0 HG22 VAL A 34 15.523 6.413 2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.711 4.977 1.529 1.00 0.00 H new ATOM 475 N GLY A 35 11.365 5.120 2.209 1.00 0.00 N ATOM 476 CA GLY A 35 10.986 3.823 2.739 1.00 0.00 C ATOM 477 C GLY A 35 10.571 2.852 1.652 1.00 0.00 C ATOM 478 O GLY A 35 10.388 3.241 0.498 1.00 0.00 O ATOM 0 H GLY A 35 10.637 5.593 1.673 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.823 3.403 3.297 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.164 3.948 3.444 1.00 0.00 H new ATOM 482 N LYS A 36 10.423 1.583 2.019 1.00 0.00 N ATOM 483 CA LYS A 36 10.027 0.552 1.067 1.00 0.00 C ATOM 484 C LYS A 36 8.824 -0.231 1.583 1.00 0.00 C ATOM 485 O LYS A 36 8.848 -0.767 2.692 1.00 0.00 O ATOM 486 CB LYS A 36 11.194 -0.401 0.801 1.00 0.00 C ATOM 487 CG LYS A 36 12.136 0.079 -0.289 1.00 0.00 C ATOM 488 CD LYS A 36 12.778 -1.085 -1.024 1.00 0.00 C ATOM 489 CE LYS A 36 11.763 -1.836 -1.873 1.00 0.00 C ATOM 490 NZ LYS A 36 11.125 -2.950 -1.118 1.00 0.00 N ATOM 0 H LYS A 36 10.572 1.244 2.970 1.00 0.00 H new ATOM 0 HA LYS A 36 9.747 1.042 0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.759 -0.537 1.723 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.798 -1.378 0.523 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.588 0.700 -0.998 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.912 0.706 0.150 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.583 -0.716 -1.659 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.228 -1.768 -0.304 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.995 -1.144 -2.218 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.255 -2.234 -2.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.080 -3.797 -1.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.686 -3.159 -0.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.162 -2.673 -0.838 1.00 0.00 H new ATOM 504 N LEU A 37 7.774 -0.295 0.771 1.00 0.00 N ATOM 505 CA LEU A 37 6.561 -1.015 1.145 1.00 0.00 C ATOM 506 C LEU A 37 6.270 -2.141 0.158 1.00 0.00 C ATOM 507 O LEU A 37 6.520 -2.011 -1.041 1.00 0.00 O ATOM 508 CB LEU A 37 5.372 -0.055 1.206 1.00 0.00 C ATOM 509 CG LEU A 37 3.987 -0.693 1.094 1.00 0.00 C ATOM 510 CD1 LEU A 37 3.695 -1.551 2.315 1.00 0.00 C ATOM 511 CD2 LEU A 37 2.919 0.377 0.924 1.00 0.00 C ATOM 0 H LEU A 37 7.738 0.142 -0.150 1.00 0.00 H new ATOM 0 HA LEU A 37 6.717 -1.452 2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.422 0.494 2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.479 0.676 0.404 1.00 0.00 H new ATOM 0 HG LEU A 37 3.973 -1.334 0.213 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.705 -1.997 2.218 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.443 -2.340 2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.727 -0.931 3.211 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.940 -0.095 0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.932 1.044 1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.119 0.950 0.018 1.00 0.00 H new ATOM 523 N THR A 38 5.739 -3.247 0.670 1.00 0.00 N ATOM 524 CA THR A 38 5.413 -4.396 -0.166 1.00 0.00 C ATOM 525 C THR A 38 3.985 -4.869 0.083 1.00 0.00 C ATOM 526 O THR A 38 3.667 -5.377 1.158 1.00 0.00 O ATOM 527 CB THR A 38 6.381 -5.567 0.086 1.00 0.00 C ATOM 528 OG1 THR A 38 7.726 -5.157 -0.181 1.00 0.00 O ATOM 529 CG2 THR A 38 6.026 -6.760 -0.789 1.00 0.00 C ATOM 0 H THR A 38 5.526 -3.371 1.660 1.00 0.00 H new ATOM 0 HA THR A 38 5.510 -4.071 -1.202 1.00 0.00 H new ATOM 0 HB THR A 38 6.293 -5.864 1.131 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.335 -5.907 -0.017 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.723 -7.575 -0.594 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.012 -7.088 -0.562 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.088 -6.473 -1.839 1.00 0.00 H new ATOM 537 N LEU A 39 3.128 -4.699 -0.918 1.00 0.00 N ATOM 538 CA LEU A 39 1.732 -5.110 -0.808 1.00 0.00 C ATOM 539 C LEU A 39 1.436 -6.285 -1.734 1.00 0.00 C ATOM 540 O LEU A 39 1.981 -6.375 -2.835 1.00 0.00 O ATOM 541 CB LEU A 39 0.808 -3.938 -1.141 1.00 0.00 C ATOM 542 CG LEU A 39 0.282 -3.138 0.051 1.00 0.00 C ATOM 543 CD1 LEU A 39 1.430 -2.480 0.801 1.00 0.00 C ATOM 544 CD2 LEU A 39 -0.724 -2.093 -0.409 1.00 0.00 C ATOM 0 H LEU A 39 3.375 -4.280 -1.814 1.00 0.00 H new ATOM 0 HA LEU A 39 1.552 -5.427 0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.343 -3.257 -1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.045 -4.322 -1.700 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.223 -3.825 0.730 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.036 -1.915 1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.114 -3.247 1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.963 -1.806 0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.087 -1.534 0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.244 -1.409 -1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.562 -2.587 -0.901 1.00 0.00 H new ATOM 556 N LYS A 40 0.567 -7.183 -1.282 1.00 0.00 N ATOM 557 CA LYS A 40 0.195 -8.352 -2.071 1.00 0.00 C ATOM 558 C LYS A 40 -1.147 -8.135 -2.764 1.00 0.00 C ATOM 559 O LYS A 40 -2.205 -8.287 -2.153 1.00 0.00 O ATOM 560 CB LYS A 40 0.125 -9.593 -1.179 1.00 0.00 C ATOM 561 CG LYS A 40 -0.161 -10.875 -1.941 1.00 0.00 C ATOM 562 CD LYS A 40 -0.249 -12.071 -1.009 1.00 0.00 C ATOM 563 CE LYS A 40 -1.577 -12.105 -0.269 1.00 0.00 C ATOM 564 NZ LYS A 40 -1.791 -13.404 0.428 1.00 0.00 N ATOM 0 H LYS A 40 0.107 -7.124 -0.373 1.00 0.00 H new ATOM 0 HA LYS A 40 0.959 -8.503 -2.834 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.070 -9.700 -0.646 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.651 -9.446 -0.427 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.097 -10.771 -2.490 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.624 -11.044 -2.678 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.127 -12.990 -1.582 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.569 -12.034 -0.289 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.608 -11.293 0.458 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.390 -11.933 -0.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.707 -13.387 0.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.786 -14.176 -0.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.029 -13.557 1.119 1.00 0.00 H new ATOM 621 N MET A 44 -0.220 -11.270 -6.732 1.00 0.00 N ATOM 622 CA MET A 44 1.199 -10.936 -6.766 1.00 0.00 C ATOM 623 C MET A 44 1.518 -9.816 -5.781 1.00 0.00 C ATOM 624 O MET A 44 0.615 -9.173 -5.246 1.00 0.00 O ATOM 625 CB MET A 44 1.614 -10.522 -8.179 1.00 0.00 C ATOM 626 CG MET A 44 1.199 -9.105 -8.543 1.00 0.00 C ATOM 627 SD MET A 44 1.632 -8.669 -10.238 1.00 0.00 S ATOM 628 CE MET A 44 2.443 -7.092 -9.986 1.00 0.00 C ATOM 0 HA MET A 44 1.762 -11.823 -6.475 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.696 -10.610 -8.272 1.00 0.00 H new ATOM 0 HB3 MET A 44 1.175 -11.216 -8.896 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.122 -9.000 -8.409 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.676 -8.404 -7.858 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.769 -6.693 -10.946 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.746 -6.395 -9.521 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.308 -7.227 -9.337 1.00 0.00 H new ATOM 638 N GLU A 45 2.807 -9.589 -5.546 1.00 0.00 N ATOM 639 CA GLU A 45 3.242 -8.547 -4.624 1.00 0.00 C ATOM 640 C GLU A 45 4.017 -7.458 -5.361 1.00 0.00 C ATOM 641 O GLU A 45 4.969 -7.740 -6.090 1.00 0.00 O ATOM 642 CB GLU A 45 4.112 -9.145 -3.517 1.00 0.00 C ATOM 643 CG GLU A 45 3.322 -9.598 -2.300 1.00 0.00 C ATOM 644 CD GLU A 45 4.124 -10.503 -1.387 1.00 0.00 C ATOM 645 OE1 GLU A 45 5.358 -10.325 -1.311 1.00 0.00 O ATOM 646 OE2 GLU A 45 3.520 -11.389 -0.748 1.00 0.00 O ATOM 0 H GLU A 45 3.567 -10.112 -5.981 1.00 0.00 H new ATOM 0 HA GLU A 45 2.354 -8.099 -4.177 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.663 -9.995 -3.919 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.849 -8.405 -3.206 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.992 -8.723 -1.740 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.425 -10.123 -2.629 1.00 0.00 H new ATOM 653 N THR A 46 3.602 -6.209 -5.166 1.00 0.00 N ATOM 654 CA THR A 46 4.254 -5.078 -5.813 1.00 0.00 C ATOM 655 C THR A 46 4.984 -4.209 -4.794 1.00 0.00 C ATOM 656 O THR A 46 4.473 -3.953 -3.704 1.00 0.00 O ATOM 657 CB THR A 46 3.240 -4.208 -6.580 1.00 0.00 C ATOM 658 OG1 THR A 46 2.434 -5.031 -7.430 1.00 0.00 O ATOM 659 CG2 THR A 46 3.953 -3.154 -7.414 1.00 0.00 C ATOM 0 H THR A 46 2.817 -5.956 -4.565 1.00 0.00 H new ATOM 0 HA THR A 46 4.975 -5.490 -6.519 1.00 0.00 H new ATOM 0 HB THR A 46 2.604 -3.704 -5.853 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.791 -4.471 -7.913 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.217 -2.552 -7.946 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.543 -2.511 -6.761 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.611 -3.643 -8.133 1.00 0.00 H new ATOM 667 N ILE A 47 6.180 -3.758 -5.157 1.00 0.00 N ATOM 668 CA ILE A 47 6.978 -2.916 -4.275 1.00 0.00 C ATOM 669 C ILE A 47 6.765 -1.438 -4.585 1.00 0.00 C ATOM 670 O ILE A 47 7.093 -0.967 -5.674 1.00 0.00 O ATOM 671 CB ILE A 47 8.479 -3.242 -4.392 1.00 0.00 C ATOM 672 CG1 ILE A 47 8.716 -4.737 -4.172 1.00 0.00 C ATOM 673 CG2 ILE A 47 9.278 -2.420 -3.392 1.00 0.00 C ATOM 674 CD1 ILE A 47 8.665 -5.551 -5.446 1.00 0.00 C ATOM 0 H ILE A 47 6.617 -3.962 -6.056 1.00 0.00 H new ATOM 0 HA ILE A 47 6.648 -3.123 -3.257 1.00 0.00 H new ATOM 0 HB ILE A 47 8.816 -2.984 -5.396 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.688 -4.877 -3.700 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.967 -5.117 -3.477 1.00 0.00 H new ATOM 0 HG21 ILE A 47 10.337 -2.661 -3.486 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.128 -1.359 -3.591 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.942 -2.650 -2.381 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.842 -6.601 -5.214 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.684 -5.441 -5.909 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.433 -5.198 -6.135 1.00 0.00 H new ATOM 686 N TYR A 48 6.215 -0.710 -3.619 1.00 0.00 N ATOM 687 CA TYR A 48 5.958 0.715 -3.788 1.00 0.00 C ATOM 688 C TYR A 48 6.947 1.547 -2.977 1.00 0.00 C ATOM 689 O TYR A 48 7.114 1.336 -1.776 1.00 0.00 O ATOM 690 CB TYR A 48 4.526 1.049 -3.366 1.00 0.00 C ATOM 691 CG TYR A 48 3.477 0.222 -4.074 1.00 0.00 C ATOM 692 CD1 TYR A 48 3.253 0.369 -5.438 1.00 0.00 C ATOM 693 CD2 TYR A 48 2.710 -0.705 -3.380 1.00 0.00 C ATOM 694 CE1 TYR A 48 2.295 -0.384 -6.089 1.00 0.00 C ATOM 695 CE2 TYR A 48 1.751 -1.463 -4.023 1.00 0.00 C ATOM 696 CZ TYR A 48 1.547 -1.299 -5.377 1.00 0.00 C ATOM 697 OH TYR A 48 0.592 -2.052 -6.022 1.00 0.00 O ATOM 0 H TYR A 48 5.939 -1.084 -2.711 1.00 0.00 H new ATOM 0 HA TYR A 48 6.085 0.959 -4.843 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.429 0.900 -2.291 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.336 2.105 -3.560 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.838 1.084 -5.998 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.866 -0.835 -2.319 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.133 -0.257 -7.149 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.164 -2.180 -3.468 1.00 0.00 H new ATOM 0 HH TYR A 48 0.156 -2.648 -5.378 1.00 0.00 H new ATOM 707 N ASP A 49 7.598 2.494 -3.643 1.00 0.00 N ATOM 708 CA ASP A 49 8.570 3.361 -2.986 1.00 0.00 C ATOM 709 C ASP A 49 7.869 4.470 -2.207 1.00 0.00 C ATOM 710 O ASP A 49 7.022 5.182 -2.747 1.00 0.00 O ATOM 711 CB ASP A 49 9.523 3.968 -4.016 1.00 0.00 C ATOM 712 CG ASP A 49 10.896 4.250 -3.439 1.00 0.00 C ATOM 713 OD1 ASP A 49 10.969 4.729 -2.288 1.00 0.00 O ATOM 714 OD2 ASP A 49 11.898 3.991 -4.138 1.00 0.00 O ATOM 0 H ASP A 49 7.471 2.681 -4.638 1.00 0.00 H new ATOM 0 HA ASP A 49 9.144 2.756 -2.285 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.620 3.287 -4.862 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.096 4.895 -4.400 1.00 0.00 H new ATOM 719 N LEU A 50 8.227 4.610 -0.936 1.00 0.00 N ATOM 720 CA LEU A 50 7.632 5.632 -0.081 1.00 0.00 C ATOM 721 C LEU A 50 8.576 6.819 0.086 1.00 0.00 C ATOM 722 O LEU A 50 9.796 6.664 0.057 1.00 0.00 O ATOM 723 CB LEU A 50 7.288 5.043 1.288 1.00 0.00 C ATOM 724 CG LEU A 50 6.634 3.661 1.279 1.00 0.00 C ATOM 725 CD1 LEU A 50 6.510 3.120 2.694 1.00 0.00 C ATOM 726 CD2 LEU A 50 5.270 3.720 0.607 1.00 0.00 C ATOM 0 H LEU A 50 8.926 4.029 -0.474 1.00 0.00 H new ATOM 0 HA LEU A 50 6.717 5.983 -0.559 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.203 4.986 1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.621 5.735 1.802 1.00 0.00 H new ATOM 0 HG LEU A 50 7.269 2.984 0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.042 2.136 2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.501 3.039 3.141 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.898 3.797 3.290 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.820 2.727 0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.626 4.412 1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.385 4.063 -0.421 1.00 0.00 H new ATOM 738 N GLY A 51 8.001 8.005 0.262 1.00 0.00 N ATOM 739 CA GLY A 51 8.805 9.201 0.433 1.00 0.00 C ATOM 740 C GLY A 51 8.862 9.660 1.877 1.00 0.00 C ATOM 741 O GLY A 51 9.287 8.912 2.758 1.00 0.00 O ATOM 0 H GLY A 51 6.993 8.159 0.289 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.817 9.009 0.076 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.396 10.001 -0.184 1.00 0.00 H new ATOM 745 N THR A 52 8.433 10.894 2.121 1.00 0.00 N ATOM 746 CA THR A 52 8.439 11.453 3.467 1.00 0.00 C ATOM 747 C THR A 52 7.030 11.513 4.044 1.00 0.00 C ATOM 748 O THR A 52 6.804 11.154 5.199 1.00 0.00 O ATOM 749 CB THR A 52 9.050 12.867 3.485 1.00 0.00 C ATOM 750 OG1 THR A 52 10.234 12.900 2.680 1.00 0.00 O ATOM 751 CG2 THR A 52 9.386 13.293 4.906 1.00 0.00 C ATOM 0 H THR A 52 8.077 11.526 1.404 1.00 0.00 H new ATOM 0 HA THR A 52 9.052 10.793 4.081 1.00 0.00 H new ATOM 0 HB THR A 52 8.315 13.561 3.078 1.00 0.00 H new ATOM 0 HG1 THR A 52 10.615 13.803 2.696 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.816 14.294 4.894 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.478 13.295 5.509 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.105 12.595 5.335 1.00 0.00 H new ATOM 759 N LYS A 53 6.082 11.970 3.231 1.00 0.00 N ATOM 760 CA LYS A 53 4.692 12.075 3.660 1.00 0.00 C ATOM 761 C LYS A 53 4.068 10.694 3.828 1.00 0.00 C ATOM 762 O LYS A 53 3.463 10.397 4.858 1.00 0.00 O ATOM 763 CB LYS A 53 3.886 12.891 2.647 1.00 0.00 C ATOM 764 CG LYS A 53 4.186 14.379 2.687 1.00 0.00 C ATOM 765 CD LYS A 53 3.195 15.171 1.850 1.00 0.00 C ATOM 766 CE LYS A 53 3.397 16.670 2.017 1.00 0.00 C ATOM 767 NZ LYS A 53 2.312 17.452 1.362 1.00 0.00 N ATOM 0 H LYS A 53 6.251 12.273 2.272 1.00 0.00 H new ATOM 0 HA LYS A 53 4.673 12.582 4.625 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.091 12.515 1.645 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.823 12.738 2.834 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.154 14.730 3.719 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.197 14.557 2.321 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.308 14.902 0.800 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.178 14.905 2.140 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.432 16.916 3.078 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.359 16.957 1.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.486 18.468 1.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.295 17.237 0.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.397 17.198 1.785 1.00 0.00 H new ATOM 781 N MET A 54 4.220 9.853 2.810 1.00 0.00 N ATOM 782 CA MET A 54 3.674 8.501 2.848 1.00 0.00 C ATOM 783 C MET A 54 3.918 7.854 4.207 1.00 0.00 C ATOM 784 O MET A 54 2.999 7.311 4.821 1.00 0.00 O ATOM 785 CB MET A 54 4.295 7.646 1.742 1.00 0.00 C ATOM 786 CG MET A 54 3.637 7.834 0.385 1.00 0.00 C ATOM 787 SD MET A 54 3.994 6.483 -0.754 1.00 0.00 S ATOM 788 CE MET A 54 2.932 6.911 -2.131 1.00 0.00 C ATOM 0 H MET A 54 4.716 10.084 1.949 1.00 0.00 H new ATOM 0 HA MET A 54 2.598 8.565 2.685 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.355 7.888 1.659 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.229 6.596 2.026 1.00 0.00 H new ATOM 0 HG2 MET A 54 2.558 7.917 0.517 1.00 0.00 H new ATOM 0 HG3 MET A 54 3.978 8.772 -0.053 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.946 6.105 -2.865 1.00 0.00 H new ATOM 0 HE2 MET A 54 1.913 7.058 -1.773 1.00 0.00 H new ATOM 0 HE3 MET A 54 3.290 7.830 -2.595 1.00 0.00 H new ATOM 798 N ILE A 55 5.162 7.914 4.671 1.00 0.00 N ATOM 799 CA ILE A 55 5.526 7.333 5.957 1.00 0.00 C ATOM 800 C ILE A 55 4.749 7.988 7.095 1.00 0.00 C ATOM 801 O ILE A 55 4.127 7.305 7.907 1.00 0.00 O ATOM 802 CB ILE A 55 7.035 7.475 6.232 1.00 0.00 C ATOM 803 CG1 ILE A 55 7.840 6.687 5.197 1.00 0.00 C ATOM 804 CG2 ILE A 55 7.363 7.001 7.640 1.00 0.00 C ATOM 805 CD1 ILE A 55 9.279 7.138 5.081 1.00 0.00 C ATOM 0 H ILE A 55 5.934 8.359 4.175 1.00 0.00 H new ATOM 0 HA ILE A 55 5.272 6.274 5.909 1.00 0.00 H new ATOM 0 HB ILE A 55 7.307 8.527 6.151 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.819 5.630 5.461 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.358 6.783 4.224 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.433 7.107 7.820 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.812 7.602 8.364 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.080 5.954 7.747 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.790 6.536 4.329 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.309 8.187 4.787 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.777 7.016 6.043 1.00 0.00 H new ATOM 817 N GLU A 56 4.790 9.316 7.145 1.00 0.00 N ATOM 818 CA GLU A 56 4.089 10.062 8.183 1.00 0.00 C ATOM 819 C GLU A 56 2.717 9.453 8.458 1.00 0.00 C ATOM 820 O GLU A 56 2.216 9.508 9.582 1.00 0.00 O ATOM 821 CB GLU A 56 3.936 11.528 7.772 1.00 0.00 C ATOM 822 CG GLU A 56 5.183 12.362 8.014 1.00 0.00 C ATOM 823 CD GLU A 56 4.870 13.828 8.243 1.00 0.00 C ATOM 824 OE1 GLU A 56 4.228 14.442 7.365 1.00 0.00 O ATOM 825 OE2 GLU A 56 5.266 14.360 9.301 1.00 0.00 O ATOM 0 H GLU A 56 5.301 9.896 6.480 1.00 0.00 H new ATOM 0 HA GLU A 56 4.681 10.008 9.097 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.678 11.575 6.714 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.104 11.966 8.323 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.716 11.969 8.880 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.851 12.267 7.158 1.00 0.00 H new ATOM 832 N SER A 57 2.115 8.874 7.425 1.00 0.00 N ATOM 833 CA SER A 57 0.799 8.259 7.553 1.00 0.00 C ATOM 834 C SER A 57 0.909 6.864 8.163 1.00 0.00 C ATOM 835 O SER A 57 0.133 6.497 9.045 1.00 0.00 O ATOM 836 CB SER A 57 0.115 8.179 6.188 1.00 0.00 C ATOM 837 OG SER A 57 -0.451 9.427 5.827 1.00 0.00 O ATOM 0 H SER A 57 2.517 8.818 6.489 1.00 0.00 H new ATOM 0 HA SER A 57 0.197 8.880 8.216 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.839 7.872 5.433 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.663 7.416 6.212 1.00 0.00 H new ATOM 0 HG SER A 57 -0.881 9.350 4.950 1.00 0.00 H new ATOM 843 N LEU A 58 1.878 6.092 7.685 1.00 0.00 N ATOM 844 CA LEU A 58 2.091 4.737 8.181 1.00 0.00 C ATOM 845 C LEU A 58 2.604 4.757 9.618 1.00 0.00 C ATOM 846 O LEU A 58 2.522 3.758 10.333 1.00 0.00 O ATOM 847 CB LEU A 58 3.083 3.994 7.285 1.00 0.00 C ATOM 848 CG LEU A 58 2.720 3.916 5.801 1.00 0.00 C ATOM 849 CD1 LEU A 58 3.352 2.691 5.160 1.00 0.00 C ATOM 850 CD2 LEU A 58 1.209 3.894 5.623 1.00 0.00 C ATOM 0 H LEU A 58 2.529 6.381 6.955 1.00 0.00 H new ATOM 0 HA LEU A 58 1.134 4.216 8.163 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.056 4.477 7.376 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.195 2.978 7.665 1.00 0.00 H new ATOM 0 HG LEU A 58 3.112 4.803 5.303 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.082 2.653 4.105 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.436 2.749 5.256 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.991 1.792 5.659 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.968 3.838 4.561 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.795 3.025 6.135 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.780 4.803 6.045 1.00 0.00 H new ATOM 862 N THR A 59 3.131 5.904 10.036 1.00 0.00 N ATOM 863 CA THR A 59 3.656 6.055 11.388 1.00 0.00 C ATOM 864 C THR A 59 2.554 6.450 12.364 1.00 0.00 C ATOM 865 O THR A 59 2.460 5.905 13.464 1.00 0.00 O ATOM 866 CB THR A 59 4.775 7.112 11.440 1.00 0.00 C ATOM 867 OG1 THR A 59 4.401 8.261 10.672 1.00 0.00 O ATOM 868 CG2 THR A 59 6.082 6.543 10.907 1.00 0.00 C ATOM 0 H THR A 59 3.206 6.741 9.458 1.00 0.00 H new ATOM 0 HA THR A 59 4.066 5.088 11.679 1.00 0.00 H new ATOM 0 HB THR A 59 4.921 7.403 12.480 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.877 9.049 11.008 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.857 7.308 10.954 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.380 5.687 11.512 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.946 6.227 9.873 1.00 0.00 H new ATOM 876 N LYS A 60 1.720 7.401 11.956 1.00 0.00 N ATOM 877 CA LYS A 60 0.622 7.868 12.793 1.00 0.00 C ATOM 878 C LYS A 60 -0.412 6.766 12.999 1.00 0.00 C ATOM 879 O LYS A 60 -0.986 6.634 14.080 1.00 0.00 O ATOM 880 CB LYS A 60 -0.042 9.094 12.162 1.00 0.00 C ATOM 881 CG LYS A 60 -0.653 10.044 13.177 1.00 0.00 C ATOM 882 CD LYS A 60 -1.187 11.302 12.513 1.00 0.00 C ATOM 883 CE LYS A 60 -0.110 12.369 12.394 1.00 0.00 C ATOM 884 NZ LYS A 60 -0.691 13.715 12.128 1.00 0.00 N ATOM 0 H LYS A 60 1.784 7.864 11.049 1.00 0.00 H new ATOM 0 HA LYS A 60 1.031 8.144 13.765 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.698 9.634 11.571 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.819 8.762 11.474 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.461 9.540 13.707 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.097 10.314 13.921 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.569 11.057 11.522 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.025 11.692 13.091 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.474 12.400 13.314 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.577 12.104 11.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.075 14.415 12.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.227 13.692 11.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.327 13.979 12.908 1.00 0.00 H new ATOM 898 N ASP A 61 -0.645 5.977 11.956 1.00 0.00 N ATOM 899 CA ASP A 61 -1.608 4.884 12.023 1.00 0.00 C ATOM 900 C ASP A 61 -0.929 3.586 12.449 1.00 0.00 C ATOM 901 O ASP A 61 -1.553 2.525 12.473 1.00 0.00 O ATOM 902 CB ASP A 61 -2.293 4.695 10.669 1.00 0.00 C ATOM 903 CG ASP A 61 -3.048 5.932 10.224 1.00 0.00 C ATOM 904 OD1 ASP A 61 -2.407 6.855 9.678 1.00 0.00 O ATOM 905 OD2 ASP A 61 -4.280 5.978 10.422 1.00 0.00 O ATOM 0 H ASP A 61 -0.180 6.074 11.053 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.360 5.141 12.769 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.544 4.440 9.919 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.983 3.854 10.729 1.00 0.00 H new ATOM 910 N LYS A 62 0.353 3.678 12.785 1.00 0.00 N ATOM 911 CA LYS A 62 1.119 2.512 13.211 1.00 0.00 C ATOM 912 C LYS A 62 0.764 1.291 12.368 1.00 0.00 C ATOM 913 O LYS A 62 0.399 0.242 12.900 1.00 0.00 O ATOM 914 CB LYS A 62 0.858 2.217 14.689 1.00 0.00 C ATOM 915 CG LYS A 62 1.031 3.428 15.590 1.00 0.00 C ATOM 916 CD LYS A 62 2.498 3.765 15.798 1.00 0.00 C ATOM 917 CE LYS A 62 3.163 2.788 16.756 1.00 0.00 C ATOM 918 NZ LYS A 62 4.606 3.101 16.952 1.00 0.00 N ATOM 0 H LYS A 62 0.884 4.549 12.771 1.00 0.00 H new ATOM 0 HA LYS A 62 2.177 2.733 13.072 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.156 1.833 14.801 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.535 1.429 15.019 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.519 4.285 15.152 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.561 3.235 16.554 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.016 3.746 14.839 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.588 4.778 16.189 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.651 2.817 17.718 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.060 1.774 16.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.024 2.413 17.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.100 3.049 16.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.703 4.059 17.344 1.00 0.00 H new ATOM 932 N VAL A 63 0.874 1.434 11.051 1.00 0.00 N ATOM 933 CA VAL A 63 0.568 0.342 10.135 1.00 0.00 C ATOM 934 C VAL A 63 1.581 -0.789 10.270 1.00 0.00 C ATOM 935 O VAL A 63 2.790 -0.558 10.253 1.00 0.00 O ATOM 936 CB VAL A 63 0.546 0.825 8.673 1.00 0.00 C ATOM 937 CG1 VAL A 63 0.346 -0.348 7.726 1.00 0.00 C ATOM 938 CG2 VAL A 63 -0.540 1.872 8.474 1.00 0.00 C ATOM 0 H VAL A 63 1.173 2.296 10.595 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.422 -0.027 10.403 1.00 0.00 H new ATOM 0 HB VAL A 63 1.508 1.284 8.446 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.333 0.013 6.698 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.162 -1.060 7.851 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.601 -0.839 7.950 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.541 2.202 7.435 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.511 1.441 8.719 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.347 2.724 9.125 1.00 0.00 H new ATOM 948 N GLN A 64 1.079 -2.013 10.404 1.00 0.00 N ATOM 949 CA GLN A 64 1.942 -3.181 10.542 1.00 0.00 C ATOM 950 C GLN A 64 1.559 -4.262 9.536 1.00 0.00 C ATOM 951 O GLN A 64 0.475 -4.226 8.954 1.00 0.00 O ATOM 952 CB GLN A 64 1.857 -3.738 11.964 1.00 0.00 C ATOM 953 CG GLN A 64 2.548 -2.867 13.000 1.00 0.00 C ATOM 954 CD GLN A 64 2.554 -3.495 14.380 1.00 0.00 C ATOM 955 OE1 GLN A 64 1.614 -4.194 14.761 1.00 0.00 O ATOM 956 NE2 GLN A 64 3.616 -3.249 15.138 1.00 0.00 N ATOM 0 H GLN A 64 0.081 -2.221 10.420 1.00 0.00 H new ATOM 0 HA GLN A 64 2.967 -2.870 10.341 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.808 -3.852 12.239 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.302 -4.733 11.983 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.575 -2.680 12.686 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.048 -1.900 13.047 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.372 -2.664 14.782 1.00 0.00 H new ATOM 0 HE22 GLN A 64 3.676 -3.645 16.076 1.00 0.00 H new ATOM 965 N ALA A 65 2.457 -5.221 9.336 1.00 0.00 N ATOM 966 CA ALA A 65 2.213 -6.313 8.402 1.00 0.00 C ATOM 967 C ALA A 65 0.918 -7.044 8.739 1.00 0.00 C ATOM 968 O ALA A 65 0.519 -7.117 9.900 1.00 0.00 O ATOM 969 CB ALA A 65 3.385 -7.282 8.405 1.00 0.00 C ATOM 0 H ALA A 65 3.360 -5.264 9.808 1.00 0.00 H new ATOM 0 HA ALA A 65 2.110 -5.888 7.403 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.189 -8.092 7.703 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.293 -6.756 8.108 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.515 -7.693 9.406 1.00 0.00 H new ATOM 975 N GLY A 66 0.265 -7.585 7.714 1.00 0.00 N ATOM 976 CA GLY A 66 -0.979 -8.303 7.923 1.00 0.00 C ATOM 977 C GLY A 66 -2.195 -7.471 7.567 1.00 0.00 C ATOM 978 O GLY A 66 -3.180 -7.991 7.042 1.00 0.00 O ATOM 0 H GLY A 66 0.575 -7.539 6.743 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.976 -9.212 7.322 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.046 -8.611 8.966 1.00 0.00 H new ATOM 982 N ASP A 67 -2.129 -6.176 7.856 1.00 0.00 N ATOM 983 CA ASP A 67 -3.234 -5.270 7.564 1.00 0.00 C ATOM 984 C ASP A 67 -3.280 -4.931 6.077 1.00 0.00 C ATOM 985 O ASP A 67 -2.376 -5.284 5.321 1.00 0.00 O ATOM 986 CB ASP A 67 -3.102 -3.988 8.388 1.00 0.00 C ATOM 987 CG ASP A 67 -3.778 -4.098 9.741 1.00 0.00 C ATOM 988 OD1 ASP A 67 -3.777 -5.206 10.316 1.00 0.00 O ATOM 989 OD2 ASP A 67 -4.309 -3.075 10.223 1.00 0.00 O ATOM 0 H ASP A 67 -1.322 -5.730 8.292 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.164 -5.772 7.833 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.046 -3.758 8.530 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.538 -3.157 7.834 1.00 0.00 H new ATOM 994 N VAL A 68 -4.342 -4.245 5.665 1.00 0.00 N ATOM 995 CA VAL A 68 -4.507 -3.858 4.269 1.00 0.00 C ATOM 996 C VAL A 68 -4.670 -2.349 4.132 1.00 0.00 C ATOM 997 O VAL A 68 -5.678 -1.783 4.555 1.00 0.00 O ATOM 998 CB VAL A 68 -5.725 -4.555 3.633 1.00 0.00 C ATOM 999 CG1 VAL A 68 -5.926 -4.079 2.202 1.00 0.00 C ATOM 1000 CG2 VAL A 68 -5.560 -6.066 3.684 1.00 0.00 C ATOM 0 H VAL A 68 -5.100 -3.946 6.278 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.604 -4.172 3.745 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.614 -4.290 4.206 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.791 -4.582 1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.093 -3.002 2.197 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.039 -4.311 1.613 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.429 -6.542 3.231 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.662 -6.353 3.136 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.470 -6.387 4.722 1.00 0.00 H new ATOM 1010 N ILE A 69 -3.672 -1.703 3.539 1.00 0.00 N ATOM 1011 CA ILE A 69 -3.705 -0.258 3.346 1.00 0.00 C ATOM 1012 C ILE A 69 -3.848 0.095 1.869 1.00 0.00 C ATOM 1013 O ILE A 69 -3.765 -0.773 1.000 1.00 0.00 O ATOM 1014 CB ILE A 69 -2.437 0.414 3.903 1.00 0.00 C ATOM 1015 CG1 ILE A 69 -1.215 0.015 3.073 1.00 0.00 C ATOM 1016 CG2 ILE A 69 -2.237 0.040 5.364 1.00 0.00 C ATOM 1017 CD1 ILE A 69 -0.137 1.075 3.036 1.00 0.00 C ATOM 0 H ILE A 69 -2.830 -2.157 3.184 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.572 0.114 3.892 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.559 1.495 3.839 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.795 -0.905 3.479 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.534 -0.203 2.054 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.336 0.523 5.743 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.098 0.370 5.945 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.133 -1.041 5.452 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.698 0.724 2.430 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.541 1.990 2.602 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.210 1.277 4.049 1.00 0.00 H new ATOM 1029 N THR A 70 -4.062 1.378 1.591 1.00 0.00 N ATOM 1030 CA THR A 70 -4.216 1.847 0.220 1.00 0.00 C ATOM 1031 C THR A 70 -3.186 2.921 -0.112 1.00 0.00 C ATOM 1032 O THR A 70 -2.454 3.383 0.763 1.00 0.00 O ATOM 1033 CB THR A 70 -5.627 2.412 -0.026 1.00 0.00 C ATOM 1034 OG1 THR A 70 -5.988 3.308 1.032 1.00 0.00 O ATOM 1035 CG2 THR A 70 -6.651 1.290 -0.117 1.00 0.00 C ATOM 0 H THR A 70 -4.132 2.110 2.298 1.00 0.00 H new ATOM 0 HA THR A 70 -4.060 0.985 -0.428 1.00 0.00 H new ATOM 0 HB THR A 70 -5.617 2.953 -0.972 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.886 3.664 0.867 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.640 1.713 -0.291 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.391 0.626 -0.941 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.657 0.726 0.816 1.00 0.00 H new ATOM 1043 N ILE A 71 -3.136 3.315 -1.380 1.00 0.00 N ATOM 1044 CA ILE A 71 -2.197 4.336 -1.826 1.00 0.00 C ATOM 1045 C ILE A 71 -2.839 5.262 -2.853 1.00 0.00 C ATOM 1046 O ILE A 71 -3.196 4.836 -3.952 1.00 0.00 O ATOM 1047 CB ILE A 71 -0.931 3.709 -2.438 1.00 0.00 C ATOM 1048 CG1 ILE A 71 -0.162 2.919 -1.376 1.00 0.00 C ATOM 1049 CG2 ILE A 71 -0.047 4.786 -3.047 1.00 0.00 C ATOM 1050 CD1 ILE A 71 0.876 1.982 -1.952 1.00 0.00 C ATOM 0 H ILE A 71 -3.735 2.942 -2.117 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.917 4.913 -0.945 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.231 3.022 -3.230 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.328 3.619 -0.699 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.870 2.342 -0.781 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.844 4.326 -3.475 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.597 5.309 -3.829 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.247 5.496 -2.274 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.381 1.456 -1.142 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.390 1.259 -2.607 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.606 2.555 -2.523 1.00 0.00 H new ATOM 1062 N ASP A 72 -2.982 6.532 -2.490 1.00 0.00 N ATOM 1063 CA ASP A 72 -3.578 7.520 -3.381 1.00 0.00 C ATOM 1064 C ASP A 72 -2.501 8.363 -4.056 1.00 0.00 C ATOM 1065 O ASP A 72 -1.896 9.234 -3.431 1.00 0.00 O ATOM 1066 CB ASP A 72 -4.539 8.423 -2.606 1.00 0.00 C ATOM 1067 CG ASP A 72 -5.594 9.047 -3.498 1.00 0.00 C ATOM 1068 OD1 ASP A 72 -5.247 9.471 -4.621 1.00 0.00 O ATOM 1069 OD2 ASP A 72 -6.767 9.110 -3.075 1.00 0.00 O ATOM 0 H ASP A 72 -2.693 6.901 -1.584 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.134 6.988 -4.153 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.027 7.842 -1.823 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.972 9.212 -2.112 1.00 0.00 H new ATOM 1074 N LYS A 73 -2.265 8.098 -5.337 1.00 0.00 N ATOM 1075 CA LYS A 73 -1.261 8.831 -6.098 1.00 0.00 C ATOM 1076 C LYS A 73 -1.683 10.283 -6.299 1.00 0.00 C ATOM 1077 O LYS A 73 -0.855 11.192 -6.255 1.00 0.00 O ATOM 1078 CB LYS A 73 -1.032 8.163 -7.456 1.00 0.00 C ATOM 1079 CG LYS A 73 -0.085 6.978 -7.399 1.00 0.00 C ATOM 1080 CD LYS A 73 0.040 6.297 -8.752 1.00 0.00 C ATOM 1081 CE LYS A 73 1.296 5.443 -8.832 1.00 0.00 C ATOM 1082 NZ LYS A 73 1.116 4.128 -8.159 1.00 0.00 N ATOM 0 H LYS A 73 -2.756 7.380 -5.870 1.00 0.00 H new ATOM 0 HA LYS A 73 -0.330 8.817 -5.531 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.991 7.832 -7.855 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.635 8.902 -8.152 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.898 7.312 -7.067 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.443 6.260 -6.661 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.837 5.674 -8.929 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.060 7.051 -9.539 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.560 5.283 -9.877 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.128 5.976 -8.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.963 3.906 -7.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.287 4.169 -7.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.972 3.388 -8.876 1.00 0.00 H new ATOM 1096 N ALA A 74 -2.977 10.493 -6.518 1.00 0.00 N ATOM 1097 CA ALA A 74 -3.510 11.835 -6.722 1.00 0.00 C ATOM 1098 C ALA A 74 -2.784 12.852 -5.848 1.00 0.00 C ATOM 1099 O ALA A 74 -2.268 13.856 -6.342 1.00 0.00 O ATOM 1100 CB ALA A 74 -5.004 11.859 -6.434 1.00 0.00 C ATOM 0 H ALA A 74 -3.676 9.751 -6.559 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.348 12.109 -7.764 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.389 12.867 -6.590 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.515 11.168 -7.104 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.180 11.560 -5.401 1.00 0.00 H new ATOM 1106 N THR A 75 -2.747 12.587 -4.545 1.00 0.00 N ATOM 1107 CA THR A 75 -2.087 13.481 -3.602 1.00 0.00 C ATOM 1108 C THR A 75 -0.839 12.832 -3.013 1.00 0.00 C ATOM 1109 O THR A 75 0.092 13.520 -2.596 1.00 0.00 O ATOM 1110 CB THR A 75 -3.032 13.885 -2.455 1.00 0.00 C ATOM 1111 OG1 THR A 75 -2.383 14.829 -1.596 1.00 0.00 O ATOM 1112 CG2 THR A 75 -3.458 12.667 -1.650 1.00 0.00 C ATOM 0 H THR A 75 -3.167 11.760 -4.119 1.00 0.00 H new ATOM 0 HA THR A 75 -1.802 14.374 -4.158 1.00 0.00 H new ATOM 0 HB THR A 75 -3.921 14.342 -2.890 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.991 15.082 -0.870 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.125 12.978 -0.846 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.978 11.964 -2.301 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.577 12.185 -1.225 1.00 0.00 H new ATOM 1120 N GLY A 76 -0.827 11.503 -2.981 1.00 0.00 N ATOM 1121 CA GLY A 76 0.312 10.784 -2.441 1.00 0.00 C ATOM 1122 C GLY A 76 0.125 10.413 -0.983 1.00 0.00 C ATOM 1123 O GLY A 76 1.097 10.283 -0.238 1.00 0.00 O ATOM 0 H GLY A 76 -1.586 10.911 -3.319 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.476 9.878 -3.025 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.207 11.397 -2.545 1.00 0.00 H new ATOM 1127 N LYS A 77 -1.127 10.244 -0.573 1.00 0.00 N ATOM 1128 CA LYS A 77 -1.440 9.886 0.805 1.00 0.00 C ATOM 1129 C LYS A 77 -1.871 8.427 0.904 1.00 0.00 C ATOM 1130 O LYS A 77 -2.342 7.842 -0.071 1.00 0.00 O ATOM 1131 CB LYS A 77 -2.544 10.794 1.351 1.00 0.00 C ATOM 1132 CG LYS A 77 -2.038 12.136 1.851 1.00 0.00 C ATOM 1133 CD LYS A 77 -2.944 12.707 2.929 1.00 0.00 C ATOM 1134 CE LYS A 77 -2.598 14.156 3.236 1.00 0.00 C ATOM 1135 NZ LYS A 77 -3.741 14.878 3.861 1.00 0.00 N ATOM 0 H LYS A 77 -1.943 10.349 -1.176 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.539 10.021 1.403 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.284 10.963 0.568 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.054 10.281 2.166 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.029 12.021 2.246 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.976 12.836 1.018 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.983 12.640 2.606 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.853 12.110 3.836 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.738 14.190 3.904 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.307 14.663 2.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -3.466 15.862 4.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.554 14.867 3.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -4.002 14.409 4.752 1.00 0.00 H new ATOM 1149 N ILE A 78 -1.708 7.845 2.088 1.00 0.00 N ATOM 1150 CA ILE A 78 -2.083 6.455 2.314 1.00 0.00 C ATOM 1151 C ILE A 78 -3.137 6.341 3.410 1.00 0.00 C ATOM 1152 O ILE A 78 -3.038 6.991 4.451 1.00 0.00 O ATOM 1153 CB ILE A 78 -0.863 5.598 2.700 1.00 0.00 C ATOM 1154 CG1 ILE A 78 0.124 5.522 1.533 1.00 0.00 C ATOM 1155 CG2 ILE A 78 -1.306 4.204 3.118 1.00 0.00 C ATOM 1156 CD1 ILE A 78 1.564 5.367 1.969 1.00 0.00 C ATOM 0 H ILE A 78 -1.319 8.315 2.905 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.496 6.083 1.376 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.361 6.067 3.546 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.146 4.682 0.893 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.031 6.425 0.929 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.433 3.610 3.388 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.975 4.277 3.976 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.829 3.725 2.290 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.207 5.320 1.090 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.852 6.220 2.584 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.672 4.450 2.547 1.00 0.00 H new ATOM 1168 N SER A 79 -4.146 5.510 3.169 1.00 0.00 N ATOM 1169 CA SER A 79 -5.220 5.312 4.135 1.00 0.00 C ATOM 1170 C SER A 79 -5.258 3.865 4.617 1.00 0.00 C ATOM 1171 O SER A 79 -4.832 2.951 3.910 1.00 0.00 O ATOM 1172 CB SER A 79 -6.567 5.689 3.516 1.00 0.00 C ATOM 1173 OG SER A 79 -7.470 6.154 4.504 1.00 0.00 O ATOM 0 H SER A 79 -4.242 4.963 2.313 1.00 0.00 H new ATOM 0 HA SER A 79 -5.027 5.958 4.992 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.420 6.461 2.761 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.993 4.823 3.008 1.00 0.00 H new ATOM 0 HG SER A 79 -8.323 6.390 4.083 1.00 0.00 H new ATOM 1179 N LYS A 80 -5.769 3.664 5.827 1.00 0.00 N ATOM 1180 CA LYS A 80 -5.864 2.329 6.406 1.00 0.00 C ATOM 1181 C LYS A 80 -7.289 1.792 6.305 1.00 0.00 C ATOM 1182 O LYS A 80 -8.256 2.533 6.486 1.00 0.00 O ATOM 1183 CB LYS A 80 -5.419 2.353 7.870 1.00 0.00 C ATOM 1184 CG LYS A 80 -4.816 1.041 8.344 1.00 0.00 C ATOM 1185 CD LYS A 80 -4.198 1.179 9.725 1.00 0.00 C ATOM 1186 CE LYS A 80 -5.254 1.122 10.817 1.00 0.00 C ATOM 1187 NZ LYS A 80 -5.784 2.474 11.148 1.00 0.00 N ATOM 0 H LYS A 80 -6.124 4.409 6.426 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.205 1.668 5.843 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.687 3.150 8.006 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.276 2.597 8.498 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.587 0.271 8.365 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.056 0.712 7.635 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.470 0.383 9.880 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.657 2.123 9.790 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.074 0.479 10.496 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.827 0.670 11.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.755 2.616 12.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.202 3.199 10.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.766 2.553 10.816 1.00 0.00 H new ATOM 1201 N LEU A 81 -7.410 0.501 6.017 1.00 0.00 N ATOM 1202 CA LEU A 81 -8.717 -0.135 5.894 1.00 0.00 C ATOM 1203 C LEU A 81 -8.826 -1.340 6.824 1.00 0.00 C ATOM 1204 O LEU A 81 -9.287 -2.407 6.422 1.00 0.00 O ATOM 1205 CB LEU A 81 -8.961 -0.569 4.448 1.00 0.00 C ATOM 1206 CG LEU A 81 -8.274 0.271 3.371 1.00 0.00 C ATOM 1207 CD1 LEU A 81 -8.288 -0.458 2.036 1.00 0.00 C ATOM 1208 CD2 LEU A 81 -8.946 1.631 3.245 1.00 0.00 C ATOM 0 H LEU A 81 -6.620 -0.126 5.864 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.476 0.593 6.181 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.632 -1.603 4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.035 -0.555 4.262 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.236 0.427 3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.795 0.155 1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.761 -1.407 2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.319 -0.645 1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.444 2.215 2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.993 1.496 2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.883 2.157 4.197 1.00 0.00 H new