USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 710 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 90 ASN : amide:sc= 1 K(o=2.2,f=-8.6!) USER MOD Set 1.2: A 110 LYS NZ :NH3+ 179:sc= 1.21 (180deg=0) USER MOD Set 2.1: A 74 ASN : amide:sc= 1.33 K(o=3.5,f=0.4) USER MOD Set 2.2: A 78 THR OG1 : rot -41:sc= 2.17 USER MOD Set 3.1: A 19 TYR OH : rot -162:sc= 0.298 USER MOD Set 3.2: A 104 ASN : amide:sc= 0.272 K(o=0.57,f=-0.0046) USER MOD Single : A 14 SER OG : rot 180:sc= 0.00979 USER MOD Single : A 17 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.42) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 147:sc= 1.21 (180deg=0.834) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0.302 USER MOD Single : A 83 TYR OH : rot 8:sc= 1.28 USER MOD Single : A 91 TYR OH : rot -160:sc= 0.222 USER MOD Single : A 92 ASN : amide:sc= 1.25 K(o=1.2,f=-0.25) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 96 THR OG1 : rot -160:sc= -0.21 USER MOD Single : A 100 ASN :FLIP amide:sc=-0.00599 F(o=-1.2,f=-0.006) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 CYS SG : rot -121:sc= 0.5 USER MOD ----------------------------------------------------------------- ATOM 165 N PRO A 11 -11.456 3.752 -17.534 1.00 0.00 N ATOM 166 CA PRO A 11 -11.443 4.799 -16.529 1.00 0.00 C ATOM 167 C PRO A 11 -10.328 4.787 -15.501 1.00 0.00 C ATOM 168 O PRO A 11 -9.805 3.717 -15.197 1.00 0.00 O ATOM 169 CB PRO A 11 -12.807 4.669 -15.859 1.00 0.00 C ATOM 170 CG PRO A 11 -13.715 3.799 -16.726 1.00 0.00 C ATOM 171 CD PRO A 11 -12.668 2.970 -17.459 1.00 0.00 C ATOM 0 HA PRO A 11 -11.247 5.750 -17.025 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -12.698 4.227 -14.869 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -13.252 5.654 -15.721 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -14.393 3.184 -16.133 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -14.331 4.388 -17.406 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.486 2.033 -16.932 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.018 2.711 -18.458 1.00 0.00 H new ATOM 179 N ALA A 12 -10.071 5.968 -14.933 1.00 0.00 N ATOM 180 CA ALA A 12 -9.010 6.084 -13.952 1.00 0.00 C ATOM 181 C ALA A 12 -9.466 5.921 -12.511 1.00 0.00 C ATOM 182 O ALA A 12 -10.519 6.453 -12.164 1.00 0.00 O ATOM 183 CB ALA A 12 -8.389 7.484 -13.997 1.00 0.00 C ATOM 0 H ALA A 12 -10.573 6.833 -15.134 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.320 5.284 -14.218 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.594 7.554 -13.254 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.976 7.667 -14.989 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.155 8.229 -13.780 1.00 0.00 H new ATOM 189 N PRO A 13 -8.722 5.385 -11.543 1.00 0.00 N ATOM 190 CA PRO A 13 -8.801 5.660 -10.123 1.00 0.00 C ATOM 191 C PRO A 13 -8.609 7.126 -9.749 1.00 0.00 C ATOM 192 O PRO A 13 -7.938 7.816 -10.513 1.00 0.00 O ATOM 193 CB PRO A 13 -7.729 4.763 -9.508 1.00 0.00 C ATOM 194 CG PRO A 13 -7.390 3.679 -10.528 1.00 0.00 C ATOM 195 CD PRO A 13 -7.610 4.498 -11.796 1.00 0.00 C ATOM 0 HA PRO A 13 -9.802 5.451 -9.746 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.841 5.344 -9.258 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.089 4.317 -8.581 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.369 3.311 -10.432 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.049 2.813 -10.462 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -6.714 5.066 -12.048 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.823 3.846 -12.643 1.00 0.00 H new ATOM 203 N SER A 14 -9.126 7.638 -8.636 1.00 0.00 N ATOM 204 CA SER A 14 -9.008 9.030 -8.252 1.00 0.00 C ATOM 205 C SER A 14 -8.766 9.232 -6.766 1.00 0.00 C ATOM 206 O SER A 14 -8.770 8.237 -6.045 1.00 0.00 O ATOM 207 CB SER A 14 -10.299 9.727 -8.690 1.00 0.00 C ATOM 208 OG SER A 14 -10.187 11.105 -8.397 1.00 0.00 O ATOM 0 H SER A 14 -9.650 7.078 -7.964 1.00 0.00 H new ATOM 0 HA SER A 14 -8.132 9.456 -8.741 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.466 9.579 -9.757 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.156 9.298 -8.171 1.00 0.00 H new ATOM 0 HG SER A 14 -11.006 11.566 -8.674 1.00 0.00 H new ATOM 214 N ALA A 15 -8.570 10.465 -6.292 1.00 0.00 N ATOM 215 CA ALA A 15 -8.193 10.903 -4.958 1.00 0.00 C ATOM 216 C ALA A 15 -9.207 10.642 -3.863 1.00 0.00 C ATOM 217 O ALA A 15 -8.901 10.198 -2.754 1.00 0.00 O ATOM 218 CB ALA A 15 -7.621 12.309 -5.108 1.00 0.00 C ATOM 0 H ALA A 15 -8.687 11.268 -6.911 1.00 0.00 H new ATOM 0 HA ALA A 15 -7.410 10.269 -4.543 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.321 12.686 -4.130 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.754 12.281 -5.768 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.379 12.967 -5.534 1.00 0.00 H new ATOM 224 N GLU A 16 -10.428 11.039 -4.230 1.00 0.00 N ATOM 225 CA GLU A 16 -11.700 10.731 -3.609 1.00 0.00 C ATOM 226 C GLU A 16 -11.954 9.233 -3.454 1.00 0.00 C ATOM 227 O GLU A 16 -12.684 8.804 -2.565 1.00 0.00 O ATOM 228 CB GLU A 16 -12.781 11.423 -4.434 1.00 0.00 C ATOM 229 CG GLU A 16 -12.928 12.920 -4.214 1.00 0.00 C ATOM 230 CD GLU A 16 -11.885 13.823 -4.873 1.00 0.00 C ATOM 231 OE1 GLU A 16 -11.686 14.897 -4.260 1.00 0.00 O ATOM 232 OE2 GLU A 16 -11.209 13.395 -5.826 1.00 0.00 O1- ATOM 0 H GLU A 16 -10.552 11.639 -5.045 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.704 11.103 -2.584 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -12.572 11.249 -5.490 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.737 10.948 -4.216 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.912 13.220 -4.574 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.910 13.108 -3.141 1.00 0.00 H new ATOM 239 N HIS A 17 -11.368 8.434 -4.345 1.00 0.00 N ATOM 240 CA HIS A 17 -11.924 7.183 -4.816 1.00 0.00 C ATOM 241 C HIS A 17 -10.908 6.043 -4.816 1.00 0.00 C ATOM 242 O HIS A 17 -11.119 4.895 -5.215 1.00 0.00 O ATOM 243 CB HIS A 17 -12.619 7.240 -6.167 1.00 0.00 C ATOM 244 CG HIS A 17 -13.940 7.948 -6.026 1.00 0.00 C ATOM 245 ND1 HIS A 17 -14.883 7.814 -5.014 1.00 0.00 N ATOM 246 CD2 HIS A 17 -14.249 9.139 -6.640 1.00 0.00 C ATOM 247 CE1 HIS A 17 -15.713 8.869 -5.102 1.00 0.00 C ATOM 248 NE2 HIS A 17 -15.383 9.722 -6.072 1.00 0.00 N ATOM 0 H HIS A 17 -10.466 8.654 -4.767 1.00 0.00 H new ATOM 0 HA HIS A 17 -12.700 6.980 -4.078 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -11.991 7.762 -6.889 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -12.775 6.231 -6.550 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -13.687 9.568 -7.456 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -16.563 9.011 -4.451 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -15.847 10.591 -6.336 1.00 0.00 H new ATOM 256 N SER A 18 -9.721 6.266 -4.262 1.00 0.00 N ATOM 257 CA SER A 18 -8.737 5.235 -3.997 1.00 0.00 C ATOM 258 C SER A 18 -8.374 5.318 -2.521 1.00 0.00 C ATOM 259 O SER A 18 -7.864 6.348 -2.071 1.00 0.00 O ATOM 260 CB SER A 18 -7.648 5.269 -5.057 1.00 0.00 C ATOM 261 OG SER A 18 -6.764 4.189 -4.853 1.00 0.00 O ATOM 0 H SER A 18 -9.413 7.196 -3.979 1.00 0.00 H new ATOM 0 HA SER A 18 -9.095 4.212 -4.113 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.091 5.209 -6.051 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.105 6.213 -5.007 1.00 0.00 H new ATOM 0 HG SER A 18 -6.062 4.208 -5.536 1.00 0.00 H new ATOM 267 N TYR A 19 -8.681 4.323 -1.679 1.00 0.00 N ATOM 268 CA TYR A 19 -8.331 4.165 -0.283 1.00 0.00 C ATOM 269 C TYR A 19 -7.763 2.767 -0.091 1.00 0.00 C ATOM 270 O TYR A 19 -7.823 1.899 -0.960 1.00 0.00 O ATOM 271 CB TYR A 19 -9.389 4.575 0.734 1.00 0.00 C ATOM 272 CG TYR A 19 -9.581 6.077 0.810 1.00 0.00 C ATOM 273 CD1 TYR A 19 -10.649 6.694 0.167 1.00 0.00 C ATOM 274 CD2 TYR A 19 -8.816 6.791 1.743 1.00 0.00 C ATOM 275 CE1 TYR A 19 -10.846 8.064 0.406 1.00 0.00 C ATOM 276 CE2 TYR A 19 -9.022 8.157 1.962 1.00 0.00 C ATOM 277 CZ TYR A 19 -10.104 8.805 1.349 1.00 0.00 C ATOM 278 OH TYR A 19 -10.443 10.084 1.695 1.00 0.00 O ATOM 0 H TYR A 19 -9.239 3.533 -2.004 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.563 4.903 -0.050 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -10.337 4.105 0.474 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -9.106 4.199 1.717 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -11.302 6.140 -0.491 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.051 6.275 2.305 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -11.607 8.578 -0.163 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -8.350 8.711 2.601 1.00 0.00 H new ATOM 0 HH TYR A 19 -9.677 10.521 2.123 1.00 0.00 H new ATOM 288 N ALA A 20 -7.039 2.597 1.018 1.00 0.00 N ATOM 289 CA ALA A 20 -6.203 1.467 1.363 1.00 0.00 C ATOM 290 C ALA A 20 -6.303 1.000 2.807 1.00 0.00 C ATOM 291 O ALA A 20 -6.560 1.741 3.752 1.00 0.00 O ATOM 292 CB ALA A 20 -4.727 1.751 1.092 1.00 0.00 C ATOM 0 H ALA A 20 -7.028 3.308 1.749 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.591 0.675 0.722 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.133 0.879 1.364 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.587 1.970 0.033 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.406 2.608 1.685 1.00 0.00 H new ATOM 298 N GLU A 21 -6.080 -0.282 3.111 1.00 0.00 N ATOM 299 CA GLU A 21 -6.415 -0.938 4.362 1.00 0.00 C ATOM 300 C GLU A 21 -5.561 -2.146 4.695 1.00 0.00 C ATOM 301 O GLU A 21 -5.232 -2.914 3.791 1.00 0.00 O ATOM 302 CB GLU A 21 -7.845 -1.450 4.250 1.00 0.00 C ATOM 303 CG GLU A 21 -8.356 -2.141 5.508 1.00 0.00 C ATOM 304 CD GLU A 21 -9.849 -2.418 5.394 1.00 0.00 C ATOM 305 OE1 GLU A 21 -10.256 -3.535 5.003 1.00 0.00 O ATOM 306 OE2 GLU A 21 -10.673 -1.566 5.804 1.00 0.00 O1- ATOM 0 H GLU A 21 -5.636 -0.918 2.449 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.257 -0.195 5.143 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.502 -0.613 4.015 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.906 -2.147 3.415 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.817 -3.076 5.661 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.162 -1.515 6.379 1.00 0.00 H new ATOM 313 N GLY A 22 -5.105 -2.337 5.935 1.00 0.00 N ATOM 314 CA GLY A 22 -4.625 -3.591 6.495 1.00 0.00 C ATOM 315 C GLY A 22 -3.288 -3.335 7.179 1.00 0.00 C ATOM 316 O GLY A 22 -2.944 -2.190 7.431 1.00 0.00 O ATOM 0 H GLY A 22 -5.061 -1.573 6.610 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.346 -3.987 7.210 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.512 -4.338 5.709 1.00 0.00 H new ATOM 320 N GLU A 23 -2.605 -4.364 7.683 1.00 0.00 N ATOM 321 CA GLU A 23 -1.594 -4.229 8.710 1.00 0.00 C ATOM 322 C GLU A 23 -0.331 -3.512 8.238 1.00 0.00 C ATOM 323 O GLU A 23 0.321 -2.975 9.133 1.00 0.00 O ATOM 324 CB GLU A 23 -1.367 -5.637 9.233 1.00 0.00 C ATOM 325 CG GLU A 23 -0.861 -5.629 10.676 1.00 0.00 C ATOM 326 CD GLU A 23 -0.702 -7.030 11.237 1.00 0.00 C ATOM 327 OE1 GLU A 23 0.322 -7.694 10.967 1.00 0.00 O ATOM 328 OE2 GLU A 23 -1.568 -7.411 12.068 1.00 0.00 O1- ATOM 0 H GLU A 23 -2.748 -5.327 7.378 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.926 -3.572 9.514 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.298 -6.201 9.177 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.645 -6.150 8.597 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.097 -5.111 10.720 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.556 -5.067 11.300 1.00 0.00 H new ATOM 335 N GLY A 24 -0.016 -3.472 6.942 1.00 0.00 N ATOM 336 CA GLY A 24 0.919 -2.513 6.404 1.00 0.00 C ATOM 337 C GLY A 24 0.636 -1.031 6.641 1.00 0.00 C ATOM 338 O GLY A 24 1.542 -0.262 6.307 1.00 0.00 O ATOM 0 H GLY A 24 -0.407 -4.107 6.246 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.903 -2.736 6.817 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.982 -2.674 5.328 1.00 0.00 H new ATOM 342 N LEU A 25 -0.454 -0.712 7.325 1.00 0.00 N ATOM 343 CA LEU A 25 -0.808 0.584 7.876 1.00 0.00 C ATOM 344 C LEU A 25 -1.033 0.596 9.382 1.00 0.00 C ATOM 345 O LEU A 25 -1.764 1.471 9.829 1.00 0.00 O ATOM 346 CB LEU A 25 -1.940 1.173 7.034 1.00 0.00 C ATOM 347 CG LEU A 25 -1.970 1.202 5.513 1.00 0.00 C ATOM 348 CD1 LEU A 25 -3.252 1.832 4.988 1.00 0.00 C ATOM 349 CD2 LEU A 25 -0.862 2.168 5.095 1.00 0.00 C ATOM 0 H LEU A 25 -1.170 -1.411 7.524 1.00 0.00 H new ATOM 0 HA LEU A 25 0.051 1.250 7.798 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.846 0.650 7.342 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.045 2.209 7.356 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.873 0.184 5.135 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.236 1.835 3.898 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.110 1.257 5.337 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.330 2.856 5.352 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.829 2.235 4.008 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.062 3.154 5.514 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.097 1.804 5.465 1.00 0.00 H new ATOM 361 N VAL A 26 -0.447 -0.346 10.121 1.00 0.00 N ATOM 362 CA VAL A 26 -0.664 -0.570 11.534 1.00 0.00 C ATOM 363 C VAL A 26 0.673 -0.970 12.151 1.00 0.00 C ATOM 364 O VAL A 26 0.963 -0.379 13.191 1.00 0.00 O ATOM 365 CB VAL A 26 -1.703 -1.647 11.809 1.00 0.00 C ATOM 366 CG1 VAL A 26 -2.242 -1.650 13.234 1.00 0.00 C ATOM 367 CG2 VAL A 26 -2.971 -1.654 10.957 1.00 0.00 C ATOM 0 H VAL A 26 0.224 -1.002 9.722 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.051 0.349 11.975 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.085 -2.512 11.566 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.976 -2.448 13.344 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.422 -1.813 13.933 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.714 -0.691 13.446 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.614 -2.477 11.269 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.501 -0.710 11.086 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.704 -1.780 9.908 1.00 0.00 H new ATOM 377 N LYS A 27 1.438 -1.898 11.564 1.00 0.00 N ATOM 378 CA LYS A 27 2.689 -2.330 12.152 1.00 0.00 C ATOM 379 C LYS A 27 3.476 -3.253 11.225 1.00 0.00 C ATOM 380 O LYS A 27 2.821 -4.155 10.697 1.00 0.00 O ATOM 381 CB LYS A 27 2.577 -3.058 13.483 1.00 0.00 C ATOM 382 CG LYS A 27 3.855 -2.876 14.294 1.00 0.00 C ATOM 383 CD LYS A 27 3.831 -3.360 15.739 1.00 0.00 C ATOM 384 CE LYS A 27 2.846 -2.508 16.537 1.00 0.00 C ATOM 385 NZ LYS A 27 2.882 -2.802 17.973 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.204 -2.357 10.684 1.00 0.00 H new ATOM 0 HA LYS A 27 3.199 -1.381 12.319 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.724 -2.675 14.044 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.395 -4.119 13.311 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.662 -3.395 13.776 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.107 -1.816 14.296 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.538 -4.409 15.779 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.827 -3.290 16.175 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.073 -1.454 16.380 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.837 -2.677 16.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.196 -2.198 18.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.639 -3.801 18.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.837 -2.616 18.342 1.00 0.00 H new ATOM 399 N VAL A 28 4.795 -3.096 11.154 1.00 0.00 N ATOM 400 CA VAL A 28 5.668 -3.673 10.144 1.00 0.00 C ATOM 401 C VAL A 28 7.038 -4.072 10.668 1.00 0.00 C ATOM 402 O VAL A 28 7.488 -3.352 11.551 1.00 0.00 O ATOM 403 CB VAL A 28 5.816 -2.772 8.923 1.00 0.00 C ATOM 404 CG1 VAL A 28 6.603 -3.365 7.760 1.00 0.00 C ATOM 405 CG2 VAL A 28 4.492 -2.271 8.372 1.00 0.00 C ATOM 0 H VAL A 28 5.306 -2.534 11.835 1.00 0.00 H new ATOM 0 HA VAL A 28 5.164 -4.591 9.842 1.00 0.00 H new ATOM 0 HB VAL A 28 6.392 -1.944 9.337 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.648 -2.643 6.945 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.614 -3.604 8.089 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.110 -4.273 7.413 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.675 -1.636 7.505 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.876 -3.120 8.076 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.973 -1.696 9.139 1.00 0.00 H new ATOM 415 N PHE A 29 7.620 -5.189 10.204 1.00 0.00 N ATOM 416 CA PHE A 29 8.772 -5.836 10.806 1.00 0.00 C ATOM 417 C PHE A 29 9.899 -6.147 9.832 1.00 0.00 C ATOM 418 O PHE A 29 9.657 -5.996 8.629 1.00 0.00 O ATOM 419 CB PHE A 29 8.335 -6.973 11.728 1.00 0.00 C ATOM 420 CG PHE A 29 7.015 -6.786 12.424 1.00 0.00 C ATOM 421 CD1 PHE A 29 6.990 -6.039 13.612 1.00 0.00 C ATOM 422 CD2 PHE A 29 5.812 -7.270 11.899 1.00 0.00 C ATOM 423 CE1 PHE A 29 5.764 -5.846 14.248 1.00 0.00 C ATOM 424 CE2 PHE A 29 4.560 -6.989 12.470 1.00 0.00 C ATOM 425 CZ PHE A 29 4.554 -6.297 13.692 1.00 0.00 C ATOM 0 H PHE A 29 7.283 -5.674 9.372 1.00 0.00 H new ATOM 0 HA PHE A 29 9.261 -5.111 11.457 1.00 0.00 H new ATOM 0 HB2 PHE A 29 8.288 -7.891 11.143 1.00 0.00 H new ATOM 0 HB3 PHE A 29 9.106 -7.117 12.485 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.898 -5.624 14.024 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.848 -7.888 11.014 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.743 -5.333 15.198 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.641 -7.292 11.990 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.621 -6.112 14.204 1.00 0.00 H new ATOM 435 N ASP A 30 11.008 -6.695 10.324 1.00 0.00 N ATOM 436 CA ASP A 30 12.176 -7.025 9.520 1.00 0.00 C ATOM 437 C ASP A 30 12.266 -8.452 9.009 1.00 0.00 C ATOM 438 O ASP A 30 12.754 -8.706 7.913 1.00 0.00 O ATOM 439 CB ASP A 30 13.422 -6.702 10.334 1.00 0.00 C ATOM 440 CG ASP A 30 14.716 -6.925 9.577 1.00 0.00 C ATOM 441 OD1 ASP A 30 15.608 -7.603 10.132 1.00 0.00 O ATOM 442 OD2 ASP A 30 14.881 -6.417 8.445 1.00 0.00 O1- ATOM 0 H ASP A 30 11.119 -6.925 11.311 1.00 0.00 H new ATOM 0 HA ASP A 30 12.086 -6.422 8.617 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.375 -5.662 10.658 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.427 -7.316 11.234 1.00 0.00 H new ATOM 447 N ASN A 31 11.852 -9.423 9.824 1.00 0.00 N ATOM 448 CA ASN A 31 11.583 -10.781 9.403 1.00 0.00 C ATOM 449 C ASN A 31 10.114 -11.149 9.235 1.00 0.00 C ATOM 450 O ASN A 31 9.742 -12.323 9.314 1.00 0.00 O ATOM 451 CB ASN A 31 12.353 -11.703 10.346 1.00 0.00 C ATOM 452 CG ASN A 31 13.824 -11.322 10.339 1.00 0.00 C ATOM 453 OD1 ASN A 31 14.610 -11.481 9.415 1.00 0.00 O ATOM 454 ND2 ASN A 31 14.329 -10.692 11.401 1.00 0.00 N ATOM 0 H ASN A 31 11.693 -9.273 10.820 1.00 0.00 H new ATOM 0 HA ASN A 31 11.935 -10.901 8.378 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.951 -11.625 11.356 1.00 0.00 H new ATOM 0 HB3 ASN A 31 12.234 -12.741 10.035 1.00 0.00 H new ATOM 0 HD21 ASN A 31 15.302 -10.385 11.397 1.00 0.00 H new ATOM 0 HD22 ASN A 31 13.742 -10.517 12.217 1.00 0.00 H new ATOM 461 N ALA A 32 9.267 -10.128 9.093 1.00 0.00 N ATOM 462 CA ALA A 32 7.855 -10.226 8.755 1.00 0.00 C ATOM 463 C ALA A 32 7.565 -9.101 7.771 1.00 0.00 C ATOM 464 O ALA A 32 7.147 -8.029 8.207 1.00 0.00 O ATOM 465 CB ALA A 32 6.955 -10.187 9.989 1.00 0.00 C ATOM 0 H ALA A 32 9.568 -9.162 9.218 1.00 0.00 H new ATOM 0 HA ALA A 32 7.634 -11.191 8.298 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.912 -10.263 9.681 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.202 -11.021 10.646 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.108 -9.248 10.522 1.00 0.00 H new ATOM 471 N PRO A 33 7.633 -9.283 6.454 1.00 0.00 N ATOM 472 CA PRO A 33 6.874 -8.658 5.390 1.00 0.00 C ATOM 473 C PRO A 33 5.396 -8.569 5.722 1.00 0.00 C ATOM 474 O PRO A 33 4.667 -9.532 5.948 1.00 0.00 O ATOM 475 CB PRO A 33 7.262 -9.301 4.065 1.00 0.00 C ATOM 476 CG PRO A 33 8.685 -9.775 4.341 1.00 0.00 C ATOM 477 CD PRO A 33 8.583 -10.162 5.809 1.00 0.00 C ATOM 0 HA PRO A 33 7.133 -7.605 5.280 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.601 -10.128 3.805 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.223 -8.589 3.240 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.968 -10.618 3.711 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.421 -8.989 4.172 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.264 -11.200 5.905 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.558 -10.083 6.290 1.00 0.00 H new ATOM 485 N ALA A 34 4.965 -7.313 5.740 1.00 0.00 N ATOM 486 CA ALA A 34 3.636 -6.819 6.043 1.00 0.00 C ATOM 487 C ALA A 34 2.838 -6.574 4.769 1.00 0.00 C ATOM 488 O ALA A 34 3.356 -6.190 3.718 1.00 0.00 O ATOM 489 CB ALA A 34 3.839 -5.491 6.779 1.00 0.00 C ATOM 0 H ALA A 34 5.601 -6.546 5.521 1.00 0.00 H new ATOM 0 HA ALA A 34 3.082 -7.544 6.639 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.869 -5.066 7.036 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.413 -5.664 7.690 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.380 -4.797 6.135 1.00 0.00 H new ATOM 495 N GLU A 35 1.510 -6.707 4.850 1.00 0.00 N ATOM 496 CA GLU A 35 0.557 -6.664 3.765 1.00 0.00 C ATOM 497 C GLU A 35 -0.507 -5.584 3.906 1.00 0.00 C ATOM 498 O GLU A 35 -0.902 -5.386 5.056 1.00 0.00 O ATOM 499 CB GLU A 35 -0.090 -8.019 3.483 1.00 0.00 C ATOM 500 CG GLU A 35 0.929 -8.849 2.704 1.00 0.00 C ATOM 501 CD GLU A 35 0.432 -10.289 2.687 1.00 0.00 C ATOM 502 OE1 GLU A 35 0.765 -11.006 3.651 1.00 0.00 O ATOM 503 OE2 GLU A 35 -0.404 -10.596 1.805 1.00 0.00 O1- ATOM 0 H GLU A 35 1.051 -6.858 5.748 1.00 0.00 H new ATOM 0 HA GLU A 35 1.163 -6.392 2.901 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.362 -8.517 4.414 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.007 -7.896 2.907 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.036 -8.469 1.688 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.911 -8.788 3.173 1.00 0.00 H new ATOM 510 N PHE A 36 -0.942 -4.800 2.919 1.00 0.00 N ATOM 511 CA PHE A 36 -2.148 -3.996 2.957 1.00 0.00 C ATOM 512 C PHE A 36 -2.611 -3.787 1.522 1.00 0.00 C ATOM 513 O PHE A 36 -1.963 -4.322 0.624 1.00 0.00 O ATOM 514 CB PHE A 36 -1.873 -2.724 3.742 1.00 0.00 C ATOM 515 CG PHE A 36 -1.113 -1.627 3.045 1.00 0.00 C ATOM 516 CD1 PHE A 36 -1.781 -0.482 2.589 1.00 0.00 C ATOM 517 CD2 PHE A 36 0.223 -1.854 2.691 1.00 0.00 C ATOM 518 CE1 PHE A 36 -1.104 0.430 1.764 1.00 0.00 C ATOM 519 CE2 PHE A 36 0.876 -0.915 1.877 1.00 0.00 C ATOM 520 CZ PHE A 36 0.251 0.277 1.490 1.00 0.00 C ATOM 0 H PHE A 36 -0.437 -4.709 2.037 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.970 -4.483 3.482 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.830 -2.316 4.067 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.321 -2.997 4.641 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.808 -0.303 2.870 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.741 -2.736 3.038 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.643 1.262 1.336 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.883 -1.116 1.542 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.807 1.057 0.992 1.00 0.00 H new ATOM 530 N THR A 37 -3.793 -3.208 1.291 1.00 0.00 N ATOM 531 CA THR A 37 -4.577 -3.354 0.075 1.00 0.00 C ATOM 532 C THR A 37 -5.177 -2.024 -0.367 1.00 0.00 C ATOM 533 O THR A 37 -5.926 -1.472 0.446 1.00 0.00 O ATOM 534 CB THR A 37 -5.668 -4.399 0.298 1.00 0.00 C ATOM 535 OG1 THR A 37 -5.036 -5.644 0.498 1.00 0.00 O ATOM 536 CG2 THR A 37 -6.521 -4.661 -0.943 1.00 0.00 C ATOM 0 H THR A 37 -4.242 -2.602 1.978 1.00 0.00 H new ATOM 0 HA THR A 37 -3.918 -3.688 -0.727 1.00 0.00 H new ATOM 0 HB THR A 37 -6.278 -4.026 1.121 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.715 -6.335 0.646 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.276 -5.413 -0.714 1.00 0.00 H new ATOM 0 HG22 THR A 37 -7.011 -3.737 -1.249 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.885 -5.020 -1.752 1.00 0.00 H new ATOM 544 N ILE A 38 -4.996 -1.660 -1.634 1.00 0.00 N ATOM 545 CA ILE A 38 -5.646 -0.516 -2.233 1.00 0.00 C ATOM 546 C ILE A 38 -6.972 -1.005 -2.813 1.00 0.00 C ATOM 547 O ILE A 38 -6.995 -1.834 -3.719 1.00 0.00 O ATOM 548 CB ILE A 38 -4.660 0.138 -3.201 1.00 0.00 C ATOM 549 CG1 ILE A 38 -3.436 0.739 -2.517 1.00 0.00 C ATOM 550 CG2 ILE A 38 -5.343 1.203 -4.048 1.00 0.00 C ATOM 551 CD1 ILE A 38 -2.127 0.723 -3.310 1.00 0.00 C ATOM 0 H ILE A 38 -4.384 -2.164 -2.276 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.910 0.280 -1.536 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.306 -0.671 -3.840 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.664 1.773 -2.258 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.273 0.205 -1.581 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.616 1.650 -4.726 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.147 0.748 -4.626 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.756 1.975 -3.399 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.335 1.178 -2.715 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.857 -0.306 -3.546 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.255 1.286 -4.234 1.00 0.00 H new ATOM 563 N PHE A 39 -8.048 -0.358 -2.367 1.00 0.00 N ATOM 564 CA PHE A 39 -9.417 -0.439 -2.850 1.00 0.00 C ATOM 565 C PHE A 39 -9.768 0.709 -3.771 1.00 0.00 C ATOM 566 O PHE A 39 -9.763 1.869 -3.366 1.00 0.00 O ATOM 567 CB PHE A 39 -10.324 -0.744 -1.655 1.00 0.00 C ATOM 568 CG PHE A 39 -10.366 0.282 -0.555 1.00 0.00 C ATOM 569 CD1 PHE A 39 -11.465 1.149 -0.588 1.00 0.00 C ATOM 570 CD2 PHE A 39 -9.534 0.168 0.567 1.00 0.00 C ATOM 571 CE1 PHE A 39 -11.740 1.996 0.500 1.00 0.00 C ATOM 572 CE2 PHE A 39 -9.789 1.045 1.623 1.00 0.00 C ATOM 573 CZ PHE A 39 -10.879 1.913 1.595 1.00 0.00 C ATOM 0 H PHE A 39 -7.971 0.295 -1.587 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.576 -1.273 -3.533 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -11.339 -0.885 -2.026 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.008 -1.693 -1.222 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -12.107 1.167 -1.456 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.737 -0.560 0.612 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -12.577 2.678 0.489 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -9.129 1.051 2.478 1.00 0.00 H new ATOM 0 HZ PHE A 39 -11.064 2.544 2.452 1.00 0.00 H new ATOM 583 N ALA A 40 -10.057 0.387 -5.039 1.00 0.00 N ATOM 584 CA ALA A 40 -10.030 1.340 -6.122 1.00 0.00 C ATOM 585 C ALA A 40 -11.423 1.502 -6.711 1.00 0.00 C ATOM 586 O ALA A 40 -12.127 0.560 -7.066 1.00 0.00 O ATOM 587 CB ALA A 40 -8.994 0.935 -7.161 1.00 0.00 C ATOM 0 H ALA A 40 -10.317 -0.556 -5.330 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.728 2.316 -5.742 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.987 1.664 -7.971 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.008 0.898 -6.697 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.244 -0.048 -7.560 1.00 0.00 H new ATOM 593 N VAL A 41 -11.819 2.770 -6.828 1.00 0.00 N ATOM 594 CA VAL A 41 -12.916 3.270 -7.636 1.00 0.00 C ATOM 595 C VAL A 41 -12.512 4.365 -8.609 1.00 0.00 C ATOM 596 O VAL A 41 -11.553 5.089 -8.347 1.00 0.00 O ATOM 597 CB VAL A 41 -14.069 3.720 -6.733 1.00 0.00 C ATOM 598 CG1 VAL A 41 -15.069 4.590 -7.493 1.00 0.00 C ATOM 599 CG2 VAL A 41 -14.896 2.605 -6.081 1.00 0.00 C ATOM 0 H VAL A 41 -11.346 3.520 -6.324 1.00 0.00 H new ATOM 0 HA VAL A 41 -13.249 2.442 -8.261 1.00 0.00 H new ATOM 0 HB VAL A 41 -13.543 4.258 -5.944 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -15.873 4.891 -6.822 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -14.563 5.477 -7.874 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -15.485 4.023 -8.326 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -15.681 3.046 -5.467 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -15.347 1.986 -6.856 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -14.249 1.990 -5.456 1.00 0.00 H new ATOM 609 N ASP A 42 -13.207 4.486 -9.733 1.00 0.00 N ATOM 610 CA ASP A 42 -13.017 5.618 -10.608 1.00 0.00 C ATOM 611 C ASP A 42 -13.663 6.931 -10.172 1.00 0.00 C ATOM 612 O ASP A 42 -13.062 7.891 -9.681 1.00 0.00 O ATOM 613 CB ASP A 42 -13.370 5.301 -12.060 1.00 0.00 C ATOM 614 CG ASP A 42 -14.681 4.570 -12.317 1.00 0.00 C ATOM 615 OD1 ASP A 42 -14.790 3.819 -13.305 1.00 0.00 O ATOM 616 OD2 ASP A 42 -15.700 4.733 -11.603 1.00 0.00 O1- ATOM 0 H ASP A 42 -13.903 3.813 -10.053 1.00 0.00 H new ATOM 0 HA ASP A 42 -11.945 5.798 -10.528 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -13.393 6.239 -12.614 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -12.562 4.702 -12.480 1.00 0.00 H new ATOM 621 N THR A 43 -14.993 6.973 -10.287 1.00 0.00 N ATOM 622 CA THR A 43 -15.997 7.985 -9.996 1.00 0.00 C ATOM 623 C THR A 43 -17.383 7.389 -9.834 1.00 0.00 C ATOM 624 O THR A 43 -18.105 8.045 -9.090 1.00 0.00 O ATOM 625 CB THR A 43 -16.075 9.112 -11.013 1.00 0.00 C ATOM 626 OG1 THR A 43 -16.074 8.574 -12.320 1.00 0.00 O ATOM 627 CG2 THR A 43 -14.864 10.049 -11.026 1.00 0.00 C ATOM 0 H THR A 43 -15.463 6.145 -10.653 1.00 0.00 H new ATOM 0 HA THR A 43 -15.657 8.414 -9.053 1.00 0.00 H new ATOM 0 HB THR A 43 -16.976 9.657 -10.731 1.00 0.00 H new ATOM 0 HG1 THR A 43 -16.126 9.302 -12.974 1.00 0.00 H new ATOM 0 HG21 THR A 43 -15.009 10.821 -11.782 1.00 0.00 H new ATOM 0 HG22 THR A 43 -14.755 10.516 -10.047 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.965 9.478 -11.258 1.00 0.00 H new ATOM 635 N LYS A 44 -17.766 6.272 -10.442 1.00 0.00 N ATOM 636 CA LYS A 44 -19.136 5.802 -10.458 1.00 0.00 C ATOM 637 C LYS A 44 -19.508 4.799 -9.373 1.00 0.00 C ATOM 638 O LYS A 44 -20.430 4.003 -9.504 1.00 0.00 O ATOM 639 CB LYS A 44 -19.698 5.482 -11.846 1.00 0.00 C ATOM 640 CG LYS A 44 -19.554 6.657 -12.800 1.00 0.00 C ATOM 641 CD LYS A 44 -20.060 6.415 -14.226 1.00 0.00 C ATOM 642 CE LYS A 44 -20.073 7.814 -14.816 1.00 0.00 C ATOM 643 NZ LYS A 44 -20.362 7.819 -16.254 1.00 0.00 N1+ ATOM 0 H LYS A 44 -17.120 5.662 -10.943 1.00 0.00 H new ATOM 0 HA LYS A 44 -19.686 6.694 -10.157 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -19.180 4.615 -12.257 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -20.750 5.212 -11.758 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -20.090 7.509 -12.383 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -18.501 6.936 -12.849 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -19.402 5.747 -14.782 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -21.052 5.963 -14.233 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -20.819 8.416 -14.297 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -19.106 8.286 -14.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -20.359 8.798 -16.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -19.636 7.269 -16.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -21.296 7.394 -16.422 1.00 0.00 H new ATOM 657 N GLY A 45 -18.678 4.637 -8.341 1.00 0.00 N ATOM 658 CA GLY A 45 -18.990 3.980 -7.086 1.00 0.00 C ATOM 659 C GLY A 45 -18.926 2.462 -7.190 1.00 0.00 C ATOM 660 O GLY A 45 -18.459 1.844 -6.238 1.00 0.00 O ATOM 0 H GLY A 45 -17.719 4.983 -8.368 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.293 4.318 -6.320 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -19.988 4.277 -6.762 1.00 0.00 H new ATOM 664 N VAL A 46 -19.250 1.749 -8.265 1.00 0.00 N ATOM 665 CA VAL A 46 -18.684 0.425 -8.471 1.00 0.00 C ATOM 666 C VAL A 46 -17.163 0.438 -8.438 1.00 0.00 C ATOM 667 O VAL A 46 -16.523 1.341 -8.974 1.00 0.00 O ATOM 668 CB VAL A 46 -19.205 -0.141 -9.793 1.00 0.00 C ATOM 669 CG1 VAL A 46 -18.648 -1.457 -10.309 1.00 0.00 C ATOM 670 CG2 VAL A 46 -20.697 -0.377 -9.578 1.00 0.00 C ATOM 0 H VAL A 46 -19.891 2.061 -8.994 1.00 0.00 H new ATOM 0 HA VAL A 46 -19.000 -0.218 -7.650 1.00 0.00 H new ATOM 0 HB VAL A 46 -18.901 0.591 -10.541 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.127 -1.709 -11.255 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -17.573 -1.362 -10.461 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -18.844 -2.245 -9.582 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.136 -0.784 -10.489 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -20.840 -1.083 -8.760 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -21.183 0.567 -9.331 1.00 0.00 H new ATOM 680 N ALA A 47 -16.512 -0.476 -7.724 1.00 0.00 N ATOM 681 CA ALA A 47 -15.091 -0.652 -7.831 1.00 0.00 C ATOM 682 C ALA A 47 -14.502 -0.783 -9.236 1.00 0.00 C ATOM 683 O ALA A 47 -15.224 -1.010 -10.203 1.00 0.00 O ATOM 684 CB ALA A 47 -14.741 -1.790 -6.876 1.00 0.00 C ATOM 0 H ALA A 47 -16.964 -1.106 -7.062 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.599 0.277 -7.544 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.667 -1.976 -6.909 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -15.030 -1.516 -5.862 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -15.275 -2.692 -7.174 1.00 0.00 H new ATOM 690 N ARG A 48 -13.177 -0.676 -9.375 1.00 0.00 N ATOM 691 CA ARG A 48 -12.528 -0.850 -10.652 1.00 0.00 C ATOM 692 C ARG A 48 -12.835 -2.148 -11.387 1.00 0.00 C ATOM 693 O ARG A 48 -12.557 -3.221 -10.852 1.00 0.00 O ATOM 694 CB ARG A 48 -11.023 -0.635 -10.493 1.00 0.00 C ATOM 695 CG ARG A 48 -10.676 0.835 -10.314 1.00 0.00 C ATOM 696 CD ARG A 48 -10.980 1.816 -11.443 1.00 0.00 C ATOM 697 NE ARG A 48 -10.066 1.549 -12.557 1.00 0.00 N ATOM 698 CZ ARG A 48 -10.332 0.903 -13.705 1.00 0.00 C ATOM 699 NH1 ARG A 48 -11.562 0.665 -14.181 1.00 0.00 N1+ ATOM 700 NH2 ARG A 48 -9.374 0.357 -14.462 1.00 0.00 N ATOM 0 H ARG A 48 -12.540 -0.468 -8.606 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.957 -0.089 -11.304 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.664 -1.200 -9.633 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.506 -1.026 -11.369 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.196 1.189 -9.424 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.608 0.897 -10.105 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -12.015 1.708 -11.769 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -10.861 2.842 -11.094 1.00 0.00 H new ATOM 0 HE ARG A 48 -9.113 1.895 -12.448 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.380 0.982 -13.661 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.680 0.166 -15.063 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.398 0.422 -14.175 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.620 -0.125 -15.327 1.00 0.00 H new ATOM 714 N THR A 49 -13.398 -2.029 -12.591 1.00 0.00 N ATOM 715 CA THR A 49 -14.118 -3.075 -13.277 1.00 0.00 C ATOM 716 C THR A 49 -13.168 -3.934 -14.113 1.00 0.00 C ATOM 717 O THR A 49 -13.558 -4.858 -14.810 1.00 0.00 O ATOM 718 CB THR A 49 -15.271 -2.610 -14.156 1.00 0.00 C ATOM 719 OG1 THR A 49 -14.880 -1.889 -15.308 1.00 0.00 O ATOM 720 CG2 THR A 49 -16.344 -1.812 -13.433 1.00 0.00 C ATOM 0 H THR A 49 -13.357 -1.162 -13.126 1.00 0.00 H new ATOM 0 HA THR A 49 -14.568 -3.656 -12.472 1.00 0.00 H new ATOM 0 HB THR A 49 -15.699 -3.563 -14.467 1.00 0.00 H new ATOM 0 HG1 THR A 49 -15.676 -1.629 -15.817 1.00 0.00 H new ATOM 0 HG21 THR A 49 -17.122 -1.525 -14.140 1.00 0.00 H new ATOM 0 HG22 THR A 49 -16.780 -2.422 -12.641 1.00 0.00 H new ATOM 0 HG23 THR A 49 -15.900 -0.916 -12.998 1.00 0.00 H new ATOM 728 N ASP A 50 -11.910 -3.479 -14.114 1.00 0.00 N ATOM 729 CA ASP A 50 -10.811 -3.914 -14.945 1.00 0.00 C ATOM 730 C ASP A 50 -9.507 -3.390 -14.357 1.00 0.00 C ATOM 731 O ASP A 50 -9.570 -2.450 -13.571 1.00 0.00 O ATOM 732 CB ASP A 50 -10.943 -3.423 -16.383 1.00 0.00 C ATOM 733 CG ASP A 50 -11.511 -2.070 -16.770 1.00 0.00 C ATOM 734 OD1 ASP A 50 -11.246 -1.061 -16.069 1.00 0.00 O ATOM 735 OD2 ASP A 50 -12.310 -2.121 -17.727 1.00 0.00 O1- ATOM 0 H ASP A 50 -11.624 -2.736 -13.476 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.821 -5.004 -14.966 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.942 -3.467 -16.812 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.546 -4.166 -16.904 1.00 0.00 H new ATOM 740 N GLY A 51 -8.403 -4.026 -14.758 1.00 0.00 N ATOM 741 CA GLY A 51 -7.157 -4.020 -14.029 1.00 0.00 C ATOM 742 C GLY A 51 -6.028 -3.175 -14.611 1.00 0.00 C ATOM 743 O GLY A 51 -6.307 -2.264 -15.390 1.00 0.00 O ATOM 0 H GLY A 51 -8.362 -4.569 -15.621 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.357 -3.670 -13.016 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.805 -5.048 -13.947 1.00 0.00 H new ATOM 747 N GLY A 52 -4.779 -3.398 -14.205 1.00 0.00 N ATOM 748 CA GLY A 52 -3.554 -2.796 -14.692 1.00 0.00 C ATOM 749 C GLY A 52 -3.607 -1.283 -14.788 1.00 0.00 C ATOM 750 O GLY A 52 -3.128 -0.680 -15.737 1.00 0.00 O ATOM 0 H GLY A 52 -4.590 -4.067 -13.459 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.734 -3.080 -14.032 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.327 -3.205 -15.677 1.00 0.00 H new ATOM 754 N ASP A 53 -4.149 -0.589 -13.772 1.00 0.00 N ATOM 755 CA ASP A 53 -3.843 0.816 -13.577 1.00 0.00 C ATOM 756 C ASP A 53 -2.476 0.953 -12.931 1.00 0.00 C ATOM 757 O ASP A 53 -2.196 0.188 -12.005 1.00 0.00 O ATOM 758 CB ASP A 53 -4.987 1.555 -12.901 1.00 0.00 C ATOM 759 CG ASP A 53 -6.357 1.152 -13.415 1.00 0.00 C ATOM 760 OD1 ASP A 53 -6.586 1.202 -14.637 1.00 0.00 O ATOM 761 OD2 ASP A 53 -7.306 0.956 -12.622 1.00 0.00 O1- ATOM 0 H ASP A 53 -4.793 -0.984 -13.086 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.761 1.327 -14.536 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.943 1.372 -11.827 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.854 2.627 -13.048 1.00 0.00 H new ATOM 766 N PRO A 54 -1.656 1.936 -13.317 1.00 0.00 N ATOM 767 CA PRO A 54 -0.282 2.051 -12.896 1.00 0.00 C ATOM 768 C PRO A 54 0.102 2.850 -11.645 1.00 0.00 C ATOM 769 O PRO A 54 -0.384 3.965 -11.447 1.00 0.00 O ATOM 770 CB PRO A 54 0.364 2.669 -14.141 1.00 0.00 C ATOM 771 CG PRO A 54 -0.715 3.579 -14.714 1.00 0.00 C ATOM 772 CD PRO A 54 -1.992 2.784 -14.448 1.00 0.00 C ATOM 0 HA PRO A 54 0.046 1.067 -12.560 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.263 3.230 -13.886 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.660 1.903 -14.858 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.731 4.550 -14.220 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.567 3.765 -15.778 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.830 3.442 -14.217 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.281 2.193 -15.317 1.00 0.00 H new ATOM 780 N PHE A 55 0.926 2.263 -10.794 1.00 0.00 N ATOM 781 CA PHE A 55 0.899 2.563 -9.381 1.00 0.00 C ATOM 782 C PHE A 55 2.294 2.727 -8.777 1.00 0.00 C ATOM 783 O PHE A 55 3.194 1.992 -9.156 1.00 0.00 O ATOM 784 CB PHE A 55 0.120 1.564 -8.525 1.00 0.00 C ATOM 785 CG PHE A 55 -1.235 2.105 -8.140 1.00 0.00 C ATOM 786 CD1 PHE A 55 -1.368 3.154 -7.210 1.00 0.00 C ATOM 787 CD2 PHE A 55 -2.347 1.508 -8.739 1.00 0.00 C ATOM 788 CE1 PHE A 55 -2.663 3.409 -6.743 1.00 0.00 C ATOM 789 CE2 PHE A 55 -3.638 1.892 -8.366 1.00 0.00 C ATOM 790 CZ PHE A 55 -3.795 2.801 -7.312 1.00 0.00 C ATOM 0 H PHE A 55 1.625 1.571 -11.064 1.00 0.00 H new ATOM 0 HA PHE A 55 0.367 3.514 -9.352 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.002 0.630 -9.074 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.690 1.332 -7.625 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.518 3.730 -6.875 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.209 0.747 -9.493 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.796 4.095 -5.919 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.500 1.495 -8.882 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.781 3.034 -6.938 1.00 0.00 H new ATOM 800 N GLU A 56 2.314 3.581 -7.751 1.00 0.00 N ATOM 801 CA GLU A 56 3.503 3.628 -6.936 1.00 0.00 C ATOM 802 C GLU A 56 3.032 3.626 -5.483 1.00 0.00 C ATOM 803 O GLU A 56 2.088 4.361 -5.231 1.00 0.00 O ATOM 804 CB GLU A 56 4.397 4.857 -7.088 1.00 0.00 C ATOM 805 CG GLU A 56 5.179 4.798 -8.394 1.00 0.00 C ATOM 806 CD GLU A 56 5.456 6.189 -8.953 1.00 0.00 C ATOM 807 OE1 GLU A 56 6.628 6.624 -8.868 1.00 0.00 O ATOM 808 OE2 GLU A 56 4.653 6.822 -9.673 1.00 0.00 O1- ATOM 0 H GLU A 56 1.559 4.213 -7.484 1.00 0.00 H new ATOM 0 HA GLU A 56 4.107 2.778 -7.252 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.788 5.761 -7.064 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.088 4.916 -6.247 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.123 4.278 -8.229 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.619 4.217 -9.127 1.00 0.00 H new ATOM 815 N VAL A 57 3.748 3.000 -4.546 1.00 0.00 N ATOM 816 CA VAL A 57 3.681 3.134 -3.105 1.00 0.00 C ATOM 817 C VAL A 57 5.130 3.437 -2.731 1.00 0.00 C ATOM 818 O VAL A 57 5.967 2.545 -2.762 1.00 0.00 O ATOM 819 CB VAL A 57 3.214 1.853 -2.405 1.00 0.00 C ATOM 820 CG1 VAL A 57 3.109 2.279 -0.940 1.00 0.00 C ATOM 821 CG2 VAL A 57 1.862 1.442 -2.979 1.00 0.00 C ATOM 0 H VAL A 57 4.459 2.320 -4.815 1.00 0.00 H new ATOM 0 HA VAL A 57 2.962 3.894 -2.800 1.00 0.00 H new ATOM 0 HB VAL A 57 3.874 0.995 -2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.779 1.433 -0.338 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.084 2.616 -0.588 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.389 3.092 -0.848 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.520 0.531 -2.488 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.138 2.239 -2.811 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.961 1.262 -4.049 1.00 0.00 H new ATOM 831 N ALA A 58 5.367 4.737 -2.526 1.00 0.00 N ATOM 832 CA ALA A 58 6.649 5.369 -2.334 1.00 0.00 C ATOM 833 C ALA A 58 6.879 5.866 -0.912 1.00 0.00 C ATOM 834 O ALA A 58 6.015 6.530 -0.334 1.00 0.00 O ATOM 835 CB ALA A 58 6.987 6.417 -3.381 1.00 0.00 C ATOM 0 H ALA A 58 4.603 5.412 -2.490 1.00 0.00 H new ATOM 0 HA ALA A 58 7.367 4.564 -2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.966 6.844 -3.165 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.003 5.954 -4.368 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.235 7.206 -3.362 1.00 0.00 H new ATOM 841 N ILE A 59 8.076 5.651 -0.352 1.00 0.00 N ATOM 842 CA ILE A 59 8.268 5.624 1.084 1.00 0.00 C ATOM 843 C ILE A 59 9.540 6.289 1.573 1.00 0.00 C ATOM 844 O ILE A 59 10.533 6.269 0.838 1.00 0.00 O ATOM 845 CB ILE A 59 8.034 4.218 1.604 1.00 0.00 C ATOM 846 CG1 ILE A 59 6.607 3.716 1.384 1.00 0.00 C ATOM 847 CG2 ILE A 59 8.390 3.975 3.073 1.00 0.00 C ATOM 848 CD1 ILE A 59 6.321 2.283 1.793 1.00 0.00 C ATOM 0 H ILE A 59 8.929 5.493 -0.888 1.00 0.00 H new ATOM 0 HA ILE A 59 7.511 6.268 1.531 1.00 0.00 H new ATOM 0 HB ILE A 59 8.738 3.652 0.995 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.928 4.369 1.932 1.00 0.00 H new ATOM 0 HG13 ILE A 59 6.367 3.823 0.326 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.181 2.937 3.331 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.449 4.182 3.230 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.794 4.633 3.705 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.277 2.047 1.587 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.964 1.608 1.228 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.517 2.163 2.858 1.00 0.00 H new ATOM 860 N ASN A 60 9.482 6.869 2.781 1.00 0.00 N ATOM 861 CA ASN A 60 10.594 7.327 3.588 1.00 0.00 C ATOM 862 C ASN A 60 10.519 6.606 4.919 1.00 0.00 C ATOM 863 O ASN A 60 9.467 6.316 5.495 1.00 0.00 O ATOM 864 CB ASN A 60 10.559 8.851 3.686 1.00 0.00 C ATOM 865 CG ASN A 60 11.249 9.452 2.468 1.00 0.00 C ATOM 866 OD1 ASN A 60 10.658 9.691 1.422 1.00 0.00 O ATOM 867 ND2 ASN A 60 12.575 9.650 2.467 1.00 0.00 N ATOM 0 H ASN A 60 8.587 7.037 3.241 1.00 0.00 H new ATOM 0 HA ASN A 60 11.561 7.090 3.145 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.528 9.199 3.742 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.057 9.179 4.599 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.040 9.983 1.623 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.119 9.467 3.311 1.00 0.00 H new ATOM 874 N GLY A 61 11.687 6.280 5.483 1.00 0.00 N ATOM 875 CA GLY A 61 11.926 5.932 6.873 1.00 0.00 C ATOM 876 C GLY A 61 12.998 6.849 7.444 1.00 0.00 C ATOM 877 O GLY A 61 13.250 7.924 6.900 1.00 0.00 O ATOM 0 H GLY A 61 12.546 6.253 4.934 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.005 6.029 7.448 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.242 4.892 6.950 1.00 0.00 H new ATOM 881 N PRO A 62 13.628 6.549 8.582 1.00 0.00 N ATOM 882 CA PRO A 62 14.680 7.263 9.276 1.00 0.00 C ATOM 883 C PRO A 62 15.949 7.542 8.477 1.00 0.00 C ATOM 884 O PRO A 62 16.485 6.718 7.741 1.00 0.00 O ATOM 885 CB PRO A 62 14.885 6.443 10.532 1.00 0.00 C ATOM 886 CG PRO A 62 13.684 5.517 10.733 1.00 0.00 C ATOM 887 CD PRO A 62 13.235 5.346 9.286 1.00 0.00 C ATOM 0 HA PRO A 62 14.389 8.292 9.485 1.00 0.00 H new ATOM 0 HB2 PRO A 62 15.801 5.857 10.452 1.00 0.00 H new ATOM 0 HB3 PRO A 62 15.001 7.100 11.394 1.00 0.00 H new ATOM 0 HG2 PRO A 62 13.961 4.571 11.198 1.00 0.00 H new ATOM 0 HG3 PRO A 62 12.912 5.966 11.358 1.00 0.00 H new ATOM 0 HD2 PRO A 62 13.699 4.467 8.838 1.00 0.00 H new ATOM 0 HD3 PRO A 62 12.156 5.200 9.230 1.00 0.00 H new ATOM 933 N VAL A 66 14.951 5.347 1.892 1.00 0.00 N ATOM 934 CA VAL A 66 13.890 5.450 0.912 1.00 0.00 C ATOM 935 C VAL A 66 13.500 4.070 0.405 1.00 0.00 C ATOM 936 O VAL A 66 14.332 3.220 0.119 1.00 0.00 O ATOM 937 CB VAL A 66 14.383 6.267 -0.274 1.00 0.00 C ATOM 938 CG1 VAL A 66 13.377 6.491 -1.399 1.00 0.00 C ATOM 939 CG2 VAL A 66 14.911 7.638 0.134 1.00 0.00 C ATOM 0 HA VAL A 66 13.029 5.925 1.381 1.00 0.00 H new ATOM 0 HB VAL A 66 15.179 5.631 -0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.839 7.085 -2.188 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.065 5.529 -1.805 1.00 0.00 H new ATOM 0 HG13 VAL A 66 12.507 7.020 -1.009 1.00 0.00 H new ATOM 0 HG21 VAL A 66 15.249 8.176 -0.752 1.00 0.00 H new ATOM 0 HG22 VAL A 66 14.117 8.204 0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 66 15.745 7.516 0.825 1.00 0.00 H new ATOM 949 N VAL A 67 12.186 3.808 0.333 1.00 0.00 N ATOM 950 CA VAL A 67 11.619 2.529 -0.020 1.00 0.00 C ATOM 951 C VAL A 67 10.508 2.569 -1.056 1.00 0.00 C ATOM 952 O VAL A 67 9.834 3.586 -1.232 1.00 0.00 O ATOM 953 CB VAL A 67 11.205 1.866 1.291 1.00 0.00 C ATOM 954 CG1 VAL A 67 10.595 0.464 1.371 1.00 0.00 C ATOM 955 CG2 VAL A 67 12.330 1.779 2.315 1.00 0.00 C ATOM 0 H VAL A 67 11.478 4.515 0.529 1.00 0.00 H new ATOM 0 HA VAL A 67 12.372 1.938 -0.541 1.00 0.00 H new ATOM 0 HB VAL A 67 10.398 2.577 1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.386 0.217 2.412 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.668 0.437 0.799 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.296 -0.262 0.959 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.961 1.297 3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 67 13.153 1.196 1.902 1.00 0.00 H new ATOM 0 HG23 VAL A 67 12.681 2.782 2.556 1.00 0.00 H new ATOM 965 N ASP A 68 10.319 1.447 -1.761 1.00 0.00 N ATOM 966 CA ASP A 68 9.141 1.316 -2.579 1.00 0.00 C ATOM 967 C ASP A 68 8.475 -0.014 -2.265 1.00 0.00 C ATOM 968 O ASP A 68 8.938 -1.145 -2.343 1.00 0.00 O ATOM 969 CB ASP A 68 9.369 1.636 -4.056 1.00 0.00 C ATOM 970 CG ASP A 68 10.356 0.732 -4.781 1.00 0.00 C ATOM 971 OD1 ASP A 68 11.558 1.040 -4.616 1.00 0.00 O ATOM 972 OD2 ASP A 68 9.945 -0.129 -5.596 1.00 0.00 O1- ATOM 0 H ASP A 68 10.953 0.648 -1.774 1.00 0.00 H new ATOM 0 HA ASP A 68 8.424 2.095 -2.319 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.410 1.585 -4.572 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.720 2.665 -4.136 1.00 0.00 H new ATOM 977 N ALA A 69 7.203 0.112 -1.877 1.00 0.00 N ATOM 978 CA ALA A 69 6.355 -0.991 -1.485 1.00 0.00 C ATOM 979 C ALA A 69 5.688 -1.608 -2.703 1.00 0.00 C ATOM 980 O ALA A 69 5.088 -1.024 -3.603 1.00 0.00 O ATOM 981 CB ALA A 69 5.418 -0.502 -0.374 1.00 0.00 C ATOM 0 H ALA A 69 6.731 1.015 -1.829 1.00 0.00 H new ATOM 0 HA ALA A 69 6.922 -1.818 -1.059 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.767 -1.319 -0.061 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.009 -0.162 0.477 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.811 0.323 -0.747 1.00 0.00 H new ATOM 987 N LYS A 70 5.801 -2.933 -2.734 1.00 0.00 N ATOM 988 CA LYS A 70 5.494 -3.691 -3.926 1.00 0.00 C ATOM 989 C LYS A 70 4.051 -4.163 -4.010 1.00 0.00 C ATOM 990 O LYS A 70 3.551 -4.982 -3.237 1.00 0.00 O ATOM 991 CB LYS A 70 6.499 -4.820 -4.148 1.00 0.00 C ATOM 992 CG LYS A 70 7.695 -4.598 -5.061 1.00 0.00 C ATOM 993 CD LYS A 70 8.671 -3.570 -4.499 1.00 0.00 C ATOM 994 CE LYS A 70 9.905 -3.576 -5.394 1.00 0.00 C ATOM 995 NZ LYS A 70 10.877 -2.600 -4.868 1.00 0.00 N1+ ATOM 0 H LYS A 70 6.104 -3.498 -1.941 1.00 0.00 H new ATOM 0 HA LYS A 70 5.599 -2.992 -4.756 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.885 -5.109 -3.170 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.947 -5.675 -4.538 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.215 -5.544 -5.211 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.346 -4.267 -6.039 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.216 -2.580 -4.479 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.940 -3.818 -3.472 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.347 -4.572 -5.421 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.630 -3.321 -6.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.843 -2.940 -5.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.738 -1.683 -5.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.737 -2.488 -3.844 1.00 0.00 H new ATOM 1009 N VAL A 71 3.474 -3.656 -5.100 1.00 0.00 N ATOM 1010 CA VAL A 71 2.082 -3.652 -5.513 1.00 0.00 C ATOM 1011 C VAL A 71 1.787 -4.735 -6.553 1.00 0.00 C ATOM 1012 O VAL A 71 2.529 -5.007 -7.485 1.00 0.00 O ATOM 1013 CB VAL A 71 1.794 -2.374 -6.287 1.00 0.00 C ATOM 1014 CG1 VAL A 71 0.299 -2.208 -6.535 1.00 0.00 C ATOM 1015 CG2 VAL A 71 2.074 -1.079 -5.532 1.00 0.00 C ATOM 0 H VAL A 71 4.049 -3.181 -5.796 1.00 0.00 H new ATOM 0 HA VAL A 71 1.500 -3.783 -4.601 1.00 0.00 H new ATOM 0 HB VAL A 71 2.428 -2.497 -7.165 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.122 -1.287 -7.090 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.070 -3.056 -7.112 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.225 -2.163 -5.580 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.837 -0.227 -6.170 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.459 -1.042 -4.633 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.127 -1.041 -5.253 1.00 0.00 H new ATOM 1025 N THR A 72 0.584 -5.294 -6.460 1.00 0.00 N ATOM 1026 CA THR A 72 0.073 -6.175 -7.489 1.00 0.00 C ATOM 1027 C THR A 72 -1.446 -6.183 -7.510 1.00 0.00 C ATOM 1028 O THR A 72 -2.201 -6.089 -6.550 1.00 0.00 O ATOM 1029 CB THR A 72 0.361 -7.644 -7.161 1.00 0.00 C ATOM 1030 OG1 THR A 72 1.734 -7.853 -6.926 1.00 0.00 O ATOM 1031 CG2 THR A 72 0.151 -8.670 -8.273 1.00 0.00 C ATOM 0 H THR A 72 -0.053 -5.148 -5.677 1.00 0.00 H new ATOM 0 HA THR A 72 0.536 -5.816 -8.408 1.00 0.00 H new ATOM 0 HB THR A 72 -0.332 -7.792 -6.333 1.00 0.00 H new ATOM 0 HG1 THR A 72 1.890 -8.798 -6.718 1.00 0.00 H new ATOM 0 HG21 THR A 72 0.392 -9.665 -7.900 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.889 -8.647 -8.598 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.800 -8.431 -9.116 1.00 0.00 H new ATOM 1039 N ASP A 73 -1.949 -6.133 -8.748 1.00 0.00 N ATOM 1040 CA ASP A 73 -3.322 -6.138 -9.221 1.00 0.00 C ATOM 1041 C ASP A 73 -3.986 -7.440 -8.810 1.00 0.00 C ATOM 1042 O ASP A 73 -3.685 -8.522 -9.322 1.00 0.00 O ATOM 1043 CB ASP A 73 -3.437 -5.897 -10.727 1.00 0.00 C ATOM 1044 CG ASP A 73 -4.830 -6.043 -11.336 1.00 0.00 C ATOM 1045 OD1 ASP A 73 -5.804 -6.428 -10.666 1.00 0.00 O ATOM 1046 OD2 ASP A 73 -4.897 -5.665 -12.524 1.00 0.00 O1- ATOM 0 H ASP A 73 -1.309 -6.081 -9.541 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.842 -5.301 -8.755 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.075 -4.891 -10.940 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.768 -6.591 -11.236 1.00 0.00 H new ATOM 1051 N ASN A 74 -5.036 -7.329 -7.996 1.00 0.00 N ATOM 1052 CA ASN A 74 -5.808 -8.446 -7.484 1.00 0.00 C ATOM 1053 C ASN A 74 -6.839 -9.020 -8.450 1.00 0.00 C ATOM 1054 O ASN A 74 -7.404 -10.056 -8.097 1.00 0.00 O ATOM 1055 CB ASN A 74 -6.319 -8.113 -6.080 1.00 0.00 C ATOM 1056 CG ASN A 74 -5.248 -7.779 -5.063 1.00 0.00 C ATOM 1057 OD1 ASN A 74 -4.090 -8.208 -5.010 1.00 0.00 O ATOM 1058 ND2 ASN A 74 -5.711 -7.007 -4.080 1.00 0.00 N ATOM 0 H ASN A 74 -5.379 -6.426 -7.668 1.00 0.00 H new ATOM 0 HA ASN A 74 -5.139 -9.301 -7.387 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.004 -7.269 -6.152 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.896 -8.961 -5.711 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.111 -6.773 -3.289 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.666 -6.650 -4.118 1.00 0.00 H new ATOM 1065 N ASN A 75 -7.128 -8.483 -9.631 1.00 0.00 N ATOM 1066 CA ASN A 75 -8.130 -8.882 -10.596 1.00 0.00 C ATOM 1067 C ASN A 75 -9.563 -8.840 -10.080 1.00 0.00 C ATOM 1068 O ASN A 75 -10.494 -9.597 -10.375 1.00 0.00 O ATOM 1069 CB ASN A 75 -7.705 -10.164 -11.294 1.00 0.00 C ATOM 1070 CG ASN A 75 -8.475 -10.560 -12.541 1.00 0.00 C ATOM 1071 OD1 ASN A 75 -9.069 -11.629 -12.568 1.00 0.00 O ATOM 1072 ND2 ASN A 75 -8.424 -9.764 -13.615 1.00 0.00 N ATOM 0 H ASN A 75 -6.607 -7.672 -9.964 1.00 0.00 H new ATOM 0 HA ASN A 75 -8.175 -8.116 -11.371 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.653 -10.071 -11.562 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.780 -10.981 -10.576 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.886 -10.044 -14.480 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.923 -8.877 -13.569 1.00 0.00 H new ATOM 1079 N ASP A 76 -9.804 -7.915 -9.151 1.00 0.00 N ATOM 1080 CA ASP A 76 -11.126 -7.639 -8.619 1.00 0.00 C ATOM 1081 C ASP A 76 -11.545 -6.199 -8.394 1.00 0.00 C ATOM 1082 O ASP A 76 -12.700 -6.017 -7.988 1.00 0.00 O ATOM 1083 CB ASP A 76 -11.329 -8.421 -7.324 1.00 0.00 C ATOM 1084 CG ASP A 76 -10.285 -8.140 -6.245 1.00 0.00 C ATOM 1085 OD1 ASP A 76 -9.831 -6.980 -6.162 1.00 0.00 O ATOM 1086 OD2 ASP A 76 -10.008 -9.012 -5.401 1.00 0.00 O1- ATOM 0 H ASP A 76 -9.072 -7.332 -8.745 1.00 0.00 H new ATOM 0 HA ASP A 76 -11.775 -7.959 -9.434 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -12.317 -8.189 -6.925 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.319 -9.487 -7.552 1.00 0.00 H new ATOM 1091 N GLY A 77 -10.659 -5.247 -8.677 1.00 0.00 N ATOM 1092 CA GLY A 77 -10.831 -3.894 -8.163 1.00 0.00 C ATOM 1093 C GLY A 77 -9.950 -3.440 -7.009 1.00 0.00 C ATOM 1094 O GLY A 77 -10.140 -2.301 -6.590 1.00 0.00 O ATOM 0 H GLY A 77 -9.827 -5.385 -9.251 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.676 -3.202 -8.991 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.869 -3.788 -7.849 1.00 0.00 H new ATOM 1098 N THR A 78 -9.019 -4.262 -6.504 1.00 0.00 N ATOM 1099 CA THR A 78 -8.071 -3.978 -5.447 1.00 0.00 C ATOM 1100 C THR A 78 -6.646 -4.267 -5.881 1.00 0.00 C ATOM 1101 O THR A 78 -6.404 -4.649 -7.030 1.00 0.00 O ATOM 1102 CB THR A 78 -8.437 -4.739 -4.169 1.00 0.00 C ATOM 1103 OG1 THR A 78 -8.314 -6.143 -4.255 1.00 0.00 O ATOM 1104 CG2 THR A 78 -9.892 -4.684 -3.727 1.00 0.00 C ATOM 0 H THR A 78 -8.911 -5.212 -6.859 1.00 0.00 H new ATOM 0 HA THR A 78 -8.126 -2.912 -5.228 1.00 0.00 H new ATOM 0 HB THR A 78 -7.742 -4.230 -3.502 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.657 -6.449 -5.121 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.016 -5.262 -2.811 1.00 0.00 H new ATOM 0 HG22 THR A 78 -10.178 -3.648 -3.544 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.526 -5.102 -4.509 1.00 0.00 H new ATOM 1112 N TYR A 79 -5.657 -3.888 -5.063 1.00 0.00 N ATOM 1113 CA TYR A 79 -4.262 -4.147 -5.359 1.00 0.00 C ATOM 1114 C TYR A 79 -3.516 -4.432 -4.059 1.00 0.00 C ATOM 1115 O TYR A 79 -3.734 -3.649 -3.140 1.00 0.00 O ATOM 1116 CB TYR A 79 -3.525 -2.945 -5.955 1.00 0.00 C ATOM 1117 CG TYR A 79 -4.014 -2.594 -7.342 1.00 0.00 C ATOM 1118 CD1 TYR A 79 -3.161 -2.952 -8.393 1.00 0.00 C ATOM 1119 CD2 TYR A 79 -5.208 -1.885 -7.525 1.00 0.00 C ATOM 1120 CE1 TYR A 79 -3.565 -2.582 -9.682 1.00 0.00 C ATOM 1121 CE2 TYR A 79 -5.517 -1.495 -8.826 1.00 0.00 C ATOM 1122 CZ TYR A 79 -4.826 -1.992 -9.940 1.00 0.00 C ATOM 1123 OH TYR A 79 -5.243 -1.829 -11.230 1.00 0.00 O ATOM 0 H TYR A 79 -5.811 -3.396 -4.183 1.00 0.00 H new ATOM 0 HA TYR A 79 -4.270 -4.974 -6.069 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.653 -2.083 -5.300 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -2.457 -3.161 -5.994 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.239 -3.486 -8.219 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -5.859 -1.651 -6.696 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -2.891 -2.753 -10.508 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.316 -0.786 -8.982 1.00 0.00 H new ATOM 0 HH TYR A 79 -6.129 -1.411 -11.237 1.00 0.00 H new ATOM 1133 N GLY A 80 -2.922 -5.617 -3.883 1.00 0.00 N ATOM 1134 CA GLY A 80 -2.087 -6.111 -2.807 1.00 0.00 C ATOM 1135 C GLY A 80 -0.712 -5.454 -2.829 1.00 0.00 C ATOM 1136 O GLY A 80 -0.164 -5.259 -3.908 1.00 0.00 O ATOM 0 H GLY A 80 -3.038 -6.340 -4.593 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.570 -5.916 -1.850 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.978 -7.192 -2.895 1.00 0.00 H new ATOM 1140 N VAL A 81 -0.274 -5.088 -1.618 1.00 0.00 N ATOM 1141 CA VAL A 81 0.966 -4.398 -1.309 1.00 0.00 C ATOM 1142 C VAL A 81 1.597 -5.088 -0.111 1.00 0.00 C ATOM 1143 O VAL A 81 1.159 -5.169 1.039 1.00 0.00 O ATOM 1144 CB VAL A 81 0.783 -2.905 -1.039 1.00 0.00 C ATOM 1145 CG1 VAL A 81 2.136 -2.189 -1.006 1.00 0.00 C ATOM 1146 CG2 VAL A 81 -0.075 -2.187 -2.069 1.00 0.00 C ATOM 0 H VAL A 81 -0.819 -5.283 -0.778 1.00 0.00 H new ATOM 0 HA VAL A 81 1.615 -4.454 -2.183 1.00 0.00 H new ATOM 0 HB VAL A 81 0.275 -2.862 -0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.981 -1.128 -0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.754 -2.616 -0.216 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.637 -2.313 -1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.155 -1.133 -1.804 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.384 -2.280 -3.053 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.069 -2.633 -2.089 1.00 0.00 H new ATOM 1156 N VAL A 82 2.858 -5.450 -0.344 1.00 0.00 N ATOM 1157 CA VAL A 82 3.765 -6.095 0.592 1.00 0.00 C ATOM 1158 C VAL A 82 5.050 -5.321 0.842 1.00 0.00 C ATOM 1159 O VAL A 82 5.666 -4.872 -0.131 1.00 0.00 O ATOM 1160 CB VAL A 82 4.031 -7.505 0.094 1.00 0.00 C ATOM 1161 CG1 VAL A 82 4.497 -7.595 -1.355 1.00 0.00 C ATOM 1162 CG2 VAL A 82 4.878 -8.514 0.863 1.00 0.00 C ATOM 0 H VAL A 82 3.297 -5.288 -1.250 1.00 0.00 H new ATOM 0 HA VAL A 82 3.285 -6.124 1.570 1.00 0.00 H new ATOM 0 HB VAL A 82 3.002 -7.817 0.272 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.661 -8.639 -1.620 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.736 -7.170 -2.009 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.428 -7.040 -1.473 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.923 -9.450 0.307 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.886 -8.120 0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.431 -8.694 1.841 1.00 0.00 H new ATOM 1172 N TYR A 83 5.450 -5.136 2.100 1.00 0.00 N ATOM 1173 CA TYR A 83 6.742 -4.536 2.403 1.00 0.00 C ATOM 1174 C TYR A 83 7.347 -4.809 3.774 1.00 0.00 C ATOM 1175 O TYR A 83 6.667 -5.259 4.683 1.00 0.00 O ATOM 1176 CB TYR A 83 6.781 -3.043 2.084 1.00 0.00 C ATOM 1177 CG TYR A 83 6.028 -2.149 3.034 1.00 0.00 C ATOM 1178 CD1 TYR A 83 4.682 -2.388 3.323 1.00 0.00 C ATOM 1179 CD2 TYR A 83 6.735 -1.146 3.712 1.00 0.00 C ATOM 1180 CE1 TYR A 83 4.042 -1.528 4.228 1.00 0.00 C ATOM 1181 CE2 TYR A 83 6.046 -0.188 4.465 1.00 0.00 C ATOM 1182 CZ TYR A 83 4.665 -0.359 4.690 1.00 0.00 C ATOM 1183 OH TYR A 83 4.016 0.528 5.500 1.00 0.00 O ATOM 0 H TYR A 83 4.899 -5.393 2.919 1.00 0.00 H new ATOM 0 HA TYR A 83 7.396 -5.080 1.722 1.00 0.00 H new ATOM 0 HB2 TYR A 83 7.823 -2.723 2.062 1.00 0.00 H new ATOM 0 HB3 TYR A 83 6.381 -2.895 1.081 1.00 0.00 H new ATOM 0 HD1 TYR A 83 4.151 -3.209 2.864 1.00 0.00 H new ATOM 0 HD2 TYR A 83 7.813 -1.112 3.653 1.00 0.00 H new ATOM 0 HE1 TYR A 83 3.049 -1.771 4.576 1.00 0.00 H new ATOM 0 HE2 TYR A 83 6.565 0.669 4.868 1.00 0.00 H new ATOM 0 HH TYR A 83 3.156 0.149 5.778 1.00 0.00 H new ATOM 1193 N ASP A 84 8.624 -4.463 3.985 1.00 0.00 N ATOM 1194 CA ASP A 84 9.374 -4.787 5.185 1.00 0.00 C ATOM 1195 C ASP A 84 10.162 -3.622 5.762 1.00 0.00 C ATOM 1196 O ASP A 84 10.622 -2.701 5.079 1.00 0.00 O ATOM 1197 CB ASP A 84 10.130 -6.105 5.244 1.00 0.00 C ATOM 1198 CG ASP A 84 11.073 -6.380 4.075 1.00 0.00 C ATOM 1199 OD1 ASP A 84 11.625 -7.496 4.007 1.00 0.00 O ATOM 1200 OD2 ASP A 84 11.441 -5.497 3.268 1.00 0.00 O1- ATOM 0 H ASP A 84 9.169 -3.937 3.302 1.00 0.00 H new ATOM 0 HA ASP A 84 8.545 -4.991 5.863 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.709 -6.130 6.167 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.405 -6.917 5.301 1.00 0.00 H new ATOM 1205 N ALA A 85 10.377 -3.644 7.082 1.00 0.00 N ATOM 1206 CA ALA A 85 10.980 -2.546 7.803 1.00 0.00 C ATOM 1207 C ALA A 85 12.262 -3.030 8.474 1.00 0.00 C ATOM 1208 O ALA A 85 12.191 -3.779 9.450 1.00 0.00 O ATOM 1209 CB ALA A 85 10.154 -1.938 8.931 1.00 0.00 C ATOM 0 H ALA A 85 10.131 -4.437 7.674 1.00 0.00 H new ATOM 0 HA ALA A 85 11.114 -1.783 7.037 1.00 0.00 H new ATOM 0 HB1 ALA A 85 10.713 -1.125 9.394 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.218 -1.551 8.529 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.940 -2.702 9.678 1.00 0.00 H new ATOM 1215 N PRO A 86 13.420 -2.458 8.116 1.00 0.00 N ATOM 1216 CA PRO A 86 14.753 -2.762 8.590 1.00 0.00 C ATOM 1217 C PRO A 86 14.986 -2.025 9.903 1.00 0.00 C ATOM 1218 O PRO A 86 16.111 -2.010 10.405 1.00 0.00 O ATOM 1219 CB PRO A 86 15.705 -2.525 7.430 1.00 0.00 C ATOM 1220 CG PRO A 86 15.100 -1.292 6.755 1.00 0.00 C ATOM 1221 CD PRO A 86 13.621 -1.603 6.966 1.00 0.00 C ATOM 0 HA PRO A 86 14.926 -3.801 8.870 1.00 0.00 H new ATOM 0 HB2 PRO A 86 16.724 -2.342 7.771 1.00 0.00 H new ATOM 0 HB3 PRO A 86 15.744 -3.380 6.755 1.00 0.00 H new ATOM 0 HG2 PRO A 86 15.406 -0.360 7.230 1.00 0.00 H new ATOM 0 HG3 PRO A 86 15.368 -1.215 5.701 1.00 0.00 H new ATOM 0 HD2 PRO A 86 13.068 -0.674 7.101 1.00 0.00 H new ATOM 0 HD3 PRO A 86 13.219 -2.087 6.076 1.00 0.00 H new ATOM 1229 N VAL A 87 13.995 -1.333 10.464 1.00 0.00 N ATOM 1230 CA VAL A 87 14.148 -0.391 11.549 1.00 0.00 C ATOM 1231 C VAL A 87 13.230 -0.453 12.754 1.00 0.00 C ATOM 1232 O VAL A 87 12.017 -0.598 12.611 1.00 0.00 O ATOM 1233 CB VAL A 87 13.950 1.032 11.019 1.00 0.00 C ATOM 1234 CG1 VAL A 87 15.102 1.494 10.129 1.00 0.00 C ATOM 1235 CG2 VAL A 87 12.637 1.392 10.342 1.00 0.00 C ATOM 0 H VAL A 87 13.027 -1.424 10.155 1.00 0.00 H new ATOM 0 HA VAL A 87 15.140 -0.670 11.905 1.00 0.00 H new ATOM 0 HB VAL A 87 13.922 1.573 11.965 1.00 0.00 H new ATOM 0 HG11 VAL A 87 14.909 2.509 9.782 1.00 0.00 H new ATOM 0 HG12 VAL A 87 16.031 1.476 10.698 1.00 0.00 H new ATOM 0 HG13 VAL A 87 15.189 0.827 9.271 1.00 0.00 H new ATOM 0 HG21 VAL A 87 12.664 2.435 10.027 1.00 0.00 H new ATOM 0 HG22 VAL A 87 12.490 0.754 9.471 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.814 1.245 11.042 1.00 0.00 H new ATOM 1245 N GLU A 88 13.746 -0.280 13.974 1.00 0.00 N ATOM 1246 CA GLU A 88 13.104 0.529 14.990 1.00 0.00 C ATOM 1247 C GLU A 88 12.857 1.904 14.383 1.00 0.00 C ATOM 1248 O GLU A 88 13.829 2.595 14.089 1.00 0.00 O ATOM 1249 CB GLU A 88 13.899 0.618 16.301 1.00 0.00 C ATOM 1250 CG GLU A 88 12.983 1.086 17.421 1.00 0.00 C ATOM 1251 CD GLU A 88 13.819 1.076 18.693 1.00 0.00 C ATOM 1252 OE1 GLU A 88 13.695 0.190 19.572 1.00 0.00 O ATOM 1253 OE2 GLU A 88 14.559 2.037 18.977 1.00 0.00 O1- ATOM 0 H GLU A 88 14.624 -0.702 14.277 1.00 0.00 H new ATOM 0 HA GLU A 88 12.165 0.056 15.279 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.324 -0.355 16.547 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.733 1.310 16.186 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.599 2.085 17.217 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.120 0.427 17.518 1.00 0.00 H new ATOM 1260 N GLY A 89 11.617 2.374 14.265 1.00 0.00 N ATOM 1261 CA GLY A 89 11.296 3.727 13.847 1.00 0.00 C ATOM 1262 C GLY A 89 9.886 3.920 13.327 1.00 0.00 C ATOM 1263 O GLY A 89 8.961 3.286 13.834 1.00 0.00 O ATOM 0 H GLY A 89 10.792 1.808 14.463 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.450 4.398 14.692 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.998 4.027 13.069 1.00 0.00 H new ATOM 1267 N ASN A 90 9.729 4.641 12.209 1.00 0.00 N ATOM 1268 CA ASN A 90 8.499 4.910 11.499 1.00 0.00 C ATOM 1269 C ASN A 90 8.649 4.891 9.977 1.00 0.00 C ATOM 1270 O ASN A 90 9.640 5.467 9.541 1.00 0.00 O ATOM 1271 CB ASN A 90 7.752 6.162 11.945 1.00 0.00 C ATOM 1272 CG ASN A 90 7.612 6.331 13.447 1.00 0.00 C ATOM 1273 OD1 ASN A 90 6.655 5.825 14.029 1.00 0.00 O ATOM 1274 ND2 ASN A 90 8.523 7.117 14.018 1.00 0.00 N ATOM 0 H ASN A 90 10.529 5.080 11.753 1.00 0.00 H new ATOM 0 HA ASN A 90 7.875 4.064 11.786 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.267 7.035 11.544 1.00 0.00 H new ATOM 0 HB3 ASN A 90 6.756 6.148 11.503 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.455 7.338 15.011 1.00 0.00 H new ATOM 0 HD22 ASN A 90 9.289 7.497 13.462 1.00 0.00 H new ATOM 1281 N TYR A 91 7.701 4.317 9.221 1.00 0.00 N ATOM 1282 CA TYR A 91 7.567 4.420 7.777 1.00 0.00 C ATOM 1283 C TYR A 91 6.521 5.445 7.360 1.00 0.00 C ATOM 1284 O TYR A 91 5.530 5.620 8.053 1.00 0.00 O ATOM 1285 CB TYR A 91 7.246 3.072 7.153 1.00 0.00 C ATOM 1286 CG TYR A 91 8.511 2.363 6.732 1.00 0.00 C ATOM 1287 CD1 TYR A 91 9.569 2.996 6.078 1.00 0.00 C ATOM 1288 CD2 TYR A 91 8.483 0.964 6.869 1.00 0.00 C ATOM 1289 CE1 TYR A 91 10.696 2.264 5.677 1.00 0.00 C ATOM 1290 CE2 TYR A 91 9.462 0.181 6.239 1.00 0.00 C ATOM 1291 CZ TYR A 91 10.596 0.862 5.745 1.00 0.00 C ATOM 1292 OH TYR A 91 11.618 0.077 5.307 1.00 0.00 O ATOM 0 H TYR A 91 6.970 3.737 9.634 1.00 0.00 H new ATOM 0 HA TYR A 91 8.534 4.761 7.407 1.00 0.00 H new ATOM 0 HB2 TYR A 91 6.699 2.456 7.867 1.00 0.00 H new ATOM 0 HB3 TYR A 91 6.597 3.211 6.289 1.00 0.00 H new ATOM 0 HD1 TYR A 91 9.520 4.056 5.879 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.710 0.493 7.458 1.00 0.00 H new ATOM 0 HE1 TYR A 91 11.596 2.752 5.333 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.354 -0.889 6.137 1.00 0.00 H new ATOM 0 HH TYR A 91 11.283 -0.827 5.130 1.00 0.00 H new ATOM 1302 N ASN A 92 6.728 6.077 6.203 1.00 0.00 N ATOM 1303 CA ASN A 92 6.039 7.290 5.798 1.00 0.00 C ATOM 1304 C ASN A 92 5.700 7.041 4.333 1.00 0.00 C ATOM 1305 O ASN A 92 6.544 6.762 3.484 1.00 0.00 O ATOM 1306 CB ASN A 92 6.948 8.482 6.104 1.00 0.00 C ATOM 1307 CG ASN A 92 6.239 9.713 5.573 1.00 0.00 C ATOM 1308 OD1 ASN A 92 6.441 10.123 4.438 1.00 0.00 O ATOM 1309 ND2 ASN A 92 5.428 10.415 6.377 1.00 0.00 N ATOM 0 H ASN A 92 7.398 5.746 5.509 1.00 0.00 H new ATOM 0 HA ASN A 92 5.115 7.529 6.325 1.00 0.00 H new ATOM 0 HB2 ASN A 92 7.126 8.569 7.176 1.00 0.00 H new ATOM 0 HB3 ASN A 92 7.921 8.360 5.628 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.993 11.273 6.039 1.00 0.00 H new ATOM 0 HD22 ASN A 92 5.246 10.091 7.327 1.00 0.00 H new ATOM 1316 N VAL A 93 4.384 6.978 4.148 1.00 0.00 N ATOM 1317 CA VAL A 93 3.711 6.261 3.091 1.00 0.00 C ATOM 1318 C VAL A 93 3.001 7.246 2.174 1.00 0.00 C ATOM 1319 O VAL A 93 2.158 8.003 2.642 1.00 0.00 O ATOM 1320 CB VAL A 93 2.847 5.095 3.548 1.00 0.00 C ATOM 1321 CG1 VAL A 93 2.299 4.324 2.345 1.00 0.00 C ATOM 1322 CG2 VAL A 93 3.606 4.149 4.477 1.00 0.00 C ATOM 0 H VAL A 93 3.731 7.455 4.770 1.00 0.00 H new ATOM 0 HA VAL A 93 4.479 5.751 2.510 1.00 0.00 H new ATOM 0 HB VAL A 93 2.014 5.515 4.112 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.684 3.494 2.694 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.694 4.991 1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.128 3.937 1.753 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.951 3.332 4.778 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.474 3.745 3.955 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.936 4.694 5.361 1.00 0.00 H new ATOM 1332 N ASN A 94 3.291 7.154 0.879 1.00 0.00 N ATOM 1333 CA ASN A 94 2.856 8.083 -0.147 1.00 0.00 C ATOM 1334 C ASN A 94 2.457 7.244 -1.355 1.00 0.00 C ATOM 1335 O ASN A 94 3.237 6.533 -1.982 1.00 0.00 O ATOM 1336 CB ASN A 94 3.965 9.059 -0.569 1.00 0.00 C ATOM 1337 CG ASN A 94 3.476 9.887 -1.746 1.00 0.00 C ATOM 1338 OD1 ASN A 94 2.334 10.337 -1.755 1.00 0.00 O ATOM 1339 ND2 ASN A 94 4.319 10.180 -2.749 1.00 0.00 N ATOM 0 H ASN A 94 3.861 6.395 0.505 1.00 0.00 H new ATOM 0 HA ASN A 94 2.034 8.684 0.243 1.00 0.00 H new ATOM 0 HB2 ASN A 94 4.231 9.710 0.264 1.00 0.00 H new ATOM 0 HB3 ASN A 94 4.865 8.509 -0.844 1.00 0.00 H new ATOM 0 HD21 ASN A 94 4.010 10.776 -3.517 1.00 0.00 H new ATOM 0 HD22 ASN A 94 5.268 9.807 -2.743 1.00 0.00 H new ATOM 1346 N VAL A 95 1.186 7.308 -1.774 1.00 0.00 N ATOM 1347 CA VAL A 95 0.699 6.527 -2.887 1.00 0.00 C ATOM 1348 C VAL A 95 0.233 7.399 -4.049 1.00 0.00 C ATOM 1349 O VAL A 95 -0.517 8.327 -3.753 1.00 0.00 O ATOM 1350 CB VAL A 95 -0.504 5.783 -2.306 1.00 0.00 C ATOM 1351 CG1 VAL A 95 -1.382 5.030 -3.298 1.00 0.00 C ATOM 1352 CG2 VAL A 95 -0.088 4.802 -1.210 1.00 0.00 C ATOM 0 H VAL A 95 0.479 7.905 -1.344 1.00 0.00 H new ATOM 0 HA VAL A 95 1.479 5.880 -3.289 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.110 6.599 -1.912 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.200 4.545 -2.765 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.789 5.730 -4.028 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.786 4.276 -3.812 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.971 4.293 -0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.603 4.067 -1.623 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.401 5.346 -0.402 1.00 0.00 H new ATOM 1362 N THR A 96 0.479 6.963 -5.281 1.00 0.00 N ATOM 1363 CA THR A 96 0.303 7.769 -6.470 1.00 0.00 C ATOM 1364 C THR A 96 -0.063 7.040 -7.757 1.00 0.00 C ATOM 1365 O THR A 96 0.263 5.863 -7.898 1.00 0.00 O ATOM 1366 CB THR A 96 1.508 8.621 -6.851 1.00 0.00 C ATOM 1367 OG1 THR A 96 2.521 7.830 -7.426 1.00 0.00 O ATOM 1368 CG2 THR A 96 2.258 9.294 -5.705 1.00 0.00 C ATOM 0 H THR A 96 0.813 6.019 -5.477 1.00 0.00 H new ATOM 0 HA THR A 96 -0.541 8.367 -6.127 1.00 0.00 H new ATOM 0 HB THR A 96 1.048 9.366 -7.500 1.00 0.00 H new ATOM 0 HG1 THR A 96 3.377 8.304 -7.372 1.00 0.00 H new ATOM 0 HG21 THR A 96 3.093 9.870 -6.105 1.00 0.00 H new ATOM 0 HG22 THR A 96 1.582 9.960 -5.169 1.00 0.00 H new ATOM 0 HG23 THR A 96 2.636 8.534 -5.022 1.00 0.00 H new ATOM 1376 N LEU A 97 -0.769 7.647 -8.722 1.00 0.00 N ATOM 1377 CA LEU A 97 -1.849 7.073 -9.486 1.00 0.00 C ATOM 1378 C LEU A 97 -1.521 7.502 -10.913 1.00 0.00 C ATOM 1379 O LEU A 97 -1.670 8.647 -11.346 1.00 0.00 O ATOM 1380 CB LEU A 97 -3.248 7.530 -9.080 1.00 0.00 C ATOM 1381 CG LEU A 97 -3.952 6.763 -7.971 1.00 0.00 C ATOM 1382 CD1 LEU A 97 -3.162 6.880 -6.674 1.00 0.00 C ATOM 1383 CD2 LEU A 97 -5.350 7.361 -7.877 1.00 0.00 C ATOM 0 H LEU A 97 -0.577 8.611 -8.995 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.901 5.995 -9.332 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.184 8.575 -8.776 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.882 7.495 -9.966 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.022 5.694 -8.173 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.673 6.328 -5.885 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.164 6.467 -6.818 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.083 7.929 -6.390 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.912 6.852 -7.094 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.277 8.422 -7.639 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.863 7.238 -8.831 1.00 0.00 H new ATOM 1395 N ARG A 98 -0.711 6.688 -11.597 1.00 0.00 N ATOM 1396 CA ARG A 98 0.074 7.068 -12.755 1.00 0.00 C ATOM 1397 C ARG A 98 1.022 8.198 -12.356 1.00 0.00 C ATOM 1398 O ARG A 98 1.341 9.052 -13.177 1.00 0.00 O ATOM 1399 CB ARG A 98 -0.898 7.400 -13.893 1.00 0.00 C ATOM 1400 CG ARG A 98 -0.314 7.231 -15.287 1.00 0.00 C ATOM 1401 CD ARG A 98 -1.226 7.683 -16.422 1.00 0.00 C ATOM 1402 NE ARG A 98 -2.257 6.716 -16.785 1.00 0.00 N ATOM 1403 CZ ARG A 98 -2.260 5.912 -17.856 1.00 0.00 C ATOM 1404 NH1 ARG A 98 -1.573 6.257 -18.946 1.00 0.00 N1+ ATOM 1405 NH2 ARG A 98 -3.169 4.936 -18.029 1.00 0.00 N ATOM 0 H ARG A 98 -0.586 5.709 -11.341 1.00 0.00 H new ATOM 0 HA ARG A 98 0.715 6.266 -13.122 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -1.777 6.763 -13.801 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -1.237 8.429 -13.777 1.00 0.00 H new ATOM 0 HG2 ARG A 98 0.619 7.791 -15.345 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -0.065 6.180 -15.436 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -1.706 8.619 -16.136 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -0.616 7.894 -17.301 1.00 0.00 H new ATOM 0 HE ARG A 98 -3.058 6.645 -16.158 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -1.047 7.131 -18.962 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -1.573 5.647 -19.763 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -3.894 4.785 -17.328 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -3.133 4.347 -18.861 1.00 0.00 H new ATOM 1419 N GLY A 99 1.378 8.309 -11.080 1.00 0.00 N ATOM 1420 CA GLY A 99 2.186 9.364 -10.513 1.00 0.00 C ATOM 1421 C GLY A 99 1.469 10.664 -10.180 1.00 0.00 C ATOM 1422 O GLY A 99 2.146 11.562 -9.699 1.00 0.00 O ATOM 0 H GLY A 99 1.090 7.623 -10.382 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.649 8.987 -9.601 1.00 0.00 H new ATOM 0 HA3 GLY A 99 2.993 9.588 -11.211 1.00 0.00 H new ATOM 1426 N ASN A 100 0.141 10.690 -10.313 1.00 0.00 N ATOM 1427 CA ASN A 100 -0.688 11.703 -9.702 1.00 0.00 C ATOM 1428 C ASN A 100 -0.861 11.466 -8.211 1.00 0.00 C ATOM 1429 O ASN A 100 -1.316 10.380 -7.847 1.00 0.00 O ATOM 1430 CB ASN A 100 -2.090 11.697 -10.303 1.00 0.00 C ATOM 1431 CG ASN A 100 -2.105 12.447 -11.636 1.00 0.00 C ATOM 1432 OD1 ASN A 100 -0.961 12.669 -12.274 1.00 0.00 O flip ATOM 1433 ND2 ASN A 100 -3.114 12.746 -12.277 1.00 0.00 N flip ATOM 0 H ASN A 100 -0.382 10.000 -10.853 1.00 0.00 H new ATOM 0 HA ASN A 100 -0.182 12.652 -9.883 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -2.423 10.670 -10.453 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -2.791 12.162 -9.610 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -4.038 12.610 -11.867 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -3.025 13.130 -13.218 1.00 0.00 H new ATOM 1440 N PRO A 101 -0.483 12.375 -7.308 1.00 0.00 N ATOM 1441 CA PRO A 101 -0.683 12.152 -5.883 1.00 0.00 C ATOM 1442 C PRO A 101 -2.112 12.504 -5.489 1.00 0.00 C ATOM 1443 O PRO A 101 -2.907 12.917 -6.319 1.00 0.00 O ATOM 1444 CB PRO A 101 0.298 13.106 -5.213 1.00 0.00 C ATOM 1445 CG PRO A 101 0.367 14.285 -6.185 1.00 0.00 C ATOM 1446 CD PRO A 101 0.229 13.606 -7.551 1.00 0.00 C ATOM 0 HA PRO A 101 -0.522 11.113 -5.595 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -0.053 13.417 -4.229 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.275 12.644 -5.072 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -0.433 15.003 -6.007 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.308 14.828 -6.096 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.315 14.241 -8.250 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.207 13.412 -7.992 1.00 0.00 H new ATOM 1454 N ILE A 102 -2.392 12.203 -4.215 1.00 0.00 N ATOM 1455 CA ILE A 102 -3.756 12.138 -3.725 1.00 0.00 C ATOM 1456 C ILE A 102 -3.946 12.748 -2.342 1.00 0.00 C ATOM 1457 O ILE A 102 -2.942 13.150 -1.771 1.00 0.00 O ATOM 1458 CB ILE A 102 -4.427 10.777 -3.853 1.00 0.00 C ATOM 1459 CG1 ILE A 102 -3.686 9.898 -2.844 1.00 0.00 C ATOM 1460 CG2 ILE A 102 -4.325 10.161 -5.252 1.00 0.00 C ATOM 1461 CD1 ILE A 102 -4.156 8.468 -2.592 1.00 0.00 C ATOM 0 H ILE A 102 -1.683 12.002 -3.510 1.00 0.00 H new ATOM 0 HA ILE A 102 -4.293 12.781 -4.422 1.00 0.00 H new ATOM 0 HB ILE A 102 -5.498 10.867 -3.670 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.645 9.846 -3.162 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.702 10.419 -1.886 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -4.827 9.193 -5.261 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -4.800 10.823 -5.976 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -3.276 10.028 -5.515 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.512 7.999 -1.848 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -5.183 8.482 -2.227 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -4.109 7.900 -3.521 1.00 0.00 H new ATOM 1473 N LYS A 103 -5.171 12.852 -1.831 1.00 0.00 N ATOM 1474 CA LYS A 103 -5.545 13.250 -0.487 1.00 0.00 C ATOM 1475 C LYS A 103 -5.232 12.190 0.557 1.00 0.00 C ATOM 1476 O LYS A 103 -5.065 11.032 0.206 1.00 0.00 O ATOM 1477 CB LYS A 103 -7.047 13.571 -0.479 1.00 0.00 C ATOM 1478 CG LYS A 103 -7.919 12.355 -0.749 1.00 0.00 C ATOM 1479 CD LYS A 103 -9.392 12.622 -0.450 1.00 0.00 C ATOM 1480 CE LYS A 103 -10.008 13.798 -1.219 1.00 0.00 C ATOM 1481 NZ LYS A 103 -11.421 13.932 -0.812 1.00 0.00 N1+ ATOM 0 H LYS A 103 -5.992 12.641 -2.399 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.954 14.126 -0.218 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -7.316 13.996 0.488 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.254 14.333 -1.231 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.810 12.057 -1.792 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.572 11.520 -0.141 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -9.962 11.721 -0.677 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -9.502 12.809 0.618 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -9.463 14.718 -1.006 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -9.937 13.627 -2.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -11.856 14.726 -1.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -11.932 13.054 -1.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -11.472 14.111 0.211 1.00 0.00 H new ATOM 1495 N ASN A 104 -5.286 12.572 1.840 1.00 0.00 N ATOM 1496 CA ASN A 104 -4.994 11.677 2.940 1.00 0.00 C ATOM 1497 C ASN A 104 -3.658 11.009 2.651 1.00 0.00 C ATOM 1498 O ASN A 104 -3.379 9.867 3.026 1.00 0.00 O ATOM 1499 CB ASN A 104 -6.252 10.819 3.138 1.00 0.00 C ATOM 1500 CG ASN A 104 -7.451 11.547 3.722 1.00 0.00 C ATOM 1501 OD1 ASN A 104 -8.393 11.919 3.027 1.00 0.00 O ATOM 1502 ND2 ASN A 104 -7.295 11.954 4.987 1.00 0.00 N ATOM 0 H ASN A 104 -5.536 13.517 2.133 1.00 0.00 H new ATOM 0 HA ASN A 104 -4.824 12.129 3.917 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.538 10.396 2.175 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -6.002 9.983 3.791 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -7.971 12.594 5.404 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.500 11.624 5.535 1.00 0.00 H new ATOM 1509 N MET A 105 -2.689 11.636 1.983 1.00 0.00 N ATOM 1510 CA MET A 105 -1.357 11.139 1.709 1.00 0.00 C ATOM 1511 C MET A 105 -0.398 12.316 1.798 1.00 0.00 C ATOM 1512 O MET A 105 -0.727 13.376 1.267 1.00 0.00 O ATOM 1513 CB MET A 105 -1.349 10.520 0.304 1.00 0.00 C ATOM 1514 CG MET A 105 -1.931 9.114 0.381 1.00 0.00 C ATOM 1515 SD MET A 105 -0.923 7.903 1.269 1.00 0.00 S ATOM 1516 CE MET A 105 -2.254 6.680 1.370 1.00 0.00 C ATOM 0 H MET A 105 -2.833 12.569 1.596 1.00 0.00 H new ATOM 0 HA MET A 105 -1.053 10.374 2.424 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.934 11.133 -0.381 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.332 10.486 -0.087 1.00 0.00 H new ATOM 0 HG2 MET A 105 -2.908 9.170 0.861 1.00 0.00 H new ATOM 0 HG3 MET A 105 -2.094 8.751 -0.634 1.00 0.00 H new ATOM 0 HE1 MET A 105 -1.894 5.793 1.892 1.00 0.00 H new ATOM 0 HE2 MET A 105 -3.098 7.104 1.914 1.00 0.00 H new ATOM 0 HE3 MET A 105 -2.572 6.405 0.364 1.00 0.00 H new ATOM 1526 N PRO A 106 0.757 12.228 2.463 1.00 0.00 N ATOM 1527 CA PRO A 106 1.414 11.029 2.943 1.00 0.00 C ATOM 1528 C PRO A 106 0.871 10.656 4.313 1.00 0.00 C ATOM 1529 O PRO A 106 0.264 11.506 4.971 1.00 0.00 O ATOM 1530 CB PRO A 106 2.912 11.310 3.032 1.00 0.00 C ATOM 1531 CG PRO A 106 2.951 12.831 3.216 1.00 0.00 C ATOM 1532 CD PRO A 106 1.727 13.302 2.451 1.00 0.00 C ATOM 0 HA PRO A 106 1.229 10.198 2.262 1.00 0.00 H new ATOM 0 HB2 PRO A 106 3.374 10.787 3.869 1.00 0.00 H new ATOM 0 HB3 PRO A 106 3.438 10.996 2.131 1.00 0.00 H new ATOM 0 HG2 PRO A 106 2.901 13.111 4.268 1.00 0.00 H new ATOM 0 HG3 PRO A 106 3.868 13.262 2.814 1.00 0.00 H new ATOM 0 HD2 PRO A 106 1.310 14.198 2.911 1.00 0.00 H new ATOM 0 HD3 PRO A 106 1.994 13.564 1.427 1.00 0.00 H new ATOM 1540 N ILE A 107 1.237 9.488 4.845 1.00 0.00 N ATOM 1541 CA ILE A 107 0.807 8.953 6.122 1.00 0.00 C ATOM 1542 C ILE A 107 1.860 8.161 6.882 1.00 0.00 C ATOM 1543 O ILE A 107 2.794 7.754 6.202 1.00 0.00 O ATOM 1544 CB ILE A 107 -0.511 8.191 6.015 1.00 0.00 C ATOM 1545 CG1 ILE A 107 -0.374 6.845 5.328 1.00 0.00 C ATOM 1546 CG2 ILE A 107 -1.619 9.066 5.420 1.00 0.00 C ATOM 1547 CD1 ILE A 107 -1.709 6.130 5.492 1.00 0.00 C ATOM 0 H ILE A 107 1.879 8.860 4.361 1.00 0.00 H new ATOM 0 HA ILE A 107 0.637 9.838 6.735 1.00 0.00 H new ATOM 0 HB ILE A 107 -0.816 7.949 7.033 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -0.131 6.972 4.273 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.433 6.264 5.774 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.543 8.491 5.358 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -1.775 9.937 6.056 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.328 9.393 4.422 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.660 5.153 5.012 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.926 6.003 6.553 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -2.498 6.722 5.029 1.00 0.00 H new ATOM 1559 N ASP A 108 1.780 7.837 8.174 1.00 0.00 N ATOM 1560 CA ASP A 108 2.875 7.333 8.969 1.00 0.00 C ATOM 1561 C ASP A 108 2.557 6.032 9.688 1.00 0.00 C ATOM 1562 O ASP A 108 1.459 5.796 10.182 1.00 0.00 O ATOM 1563 CB ASP A 108 3.184 8.398 10.027 1.00 0.00 C ATOM 1564 CG ASP A 108 3.502 9.774 9.465 1.00 0.00 C ATOM 1565 OD1 ASP A 108 4.584 9.990 8.860 1.00 0.00 O ATOM 1566 OD2 ASP A 108 2.748 10.740 9.678 1.00 0.00 O1- ATOM 0 H ASP A 108 0.913 7.926 8.705 1.00 0.00 H new ATOM 0 HA ASP A 108 3.711 7.128 8.300 1.00 0.00 H new ATOM 0 HB2 ASP A 108 2.330 8.483 10.699 1.00 0.00 H new ATOM 0 HB3 ASP A 108 4.029 8.061 10.627 1.00 0.00 H new ATOM 1571 N VAL A 109 3.471 5.057 9.682 1.00 0.00 N ATOM 1572 CA VAL A 109 3.363 3.694 10.178 1.00 0.00 C ATOM 1573 C VAL A 109 4.478 3.271 11.117 1.00 0.00 C ATOM 1574 O VAL A 109 5.644 3.559 10.828 1.00 0.00 O ATOM 1575 CB VAL A 109 3.133 2.687 9.055 1.00 0.00 C ATOM 1576 CG1 VAL A 109 2.605 1.322 9.476 1.00 0.00 C ATOM 1577 CG2 VAL A 109 2.216 3.271 7.975 1.00 0.00 C ATOM 0 H VAL A 109 4.396 5.227 9.288 1.00 0.00 H new ATOM 0 HA VAL A 109 2.469 3.696 10.801 1.00 0.00 H new ATOM 0 HB VAL A 109 4.135 2.504 8.667 1.00 0.00 H new ATOM 0 HG11 VAL A 109 2.481 0.692 8.595 1.00 0.00 H new ATOM 0 HG12 VAL A 109 3.312 0.854 10.160 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.643 1.442 9.975 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.068 2.534 7.186 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.253 3.529 8.416 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.674 4.166 7.554 1.00 0.00 H new ATOM 1587 N LYS A 110 4.142 2.516 12.165 1.00 0.00 N ATOM 1588 CA LYS A 110 5.111 2.015 13.112 1.00 0.00 C ATOM 1589 C LYS A 110 5.917 0.861 12.519 1.00 0.00 C ATOM 1590 O LYS A 110 5.360 -0.042 11.910 1.00 0.00 O ATOM 1591 CB LYS A 110 4.517 1.741 14.485 1.00 0.00 C ATOM 1592 CG LYS A 110 5.486 1.530 15.643 1.00 0.00 C ATOM 1593 CD LYS A 110 6.288 2.783 15.950 1.00 0.00 C ATOM 1594 CE LYS A 110 5.478 3.872 16.643 1.00 0.00 C ATOM 1595 NZ LYS A 110 6.236 5.137 16.686 1.00 0.00 N1+ ATOM 0 H LYS A 110 3.182 2.240 12.372 1.00 0.00 H new ATOM 0 HA LYS A 110 5.832 2.810 13.302 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.864 2.575 14.741 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.887 0.855 14.408 1.00 0.00 H new ATOM 0 HG2 LYS A 110 4.930 1.229 16.531 1.00 0.00 H new ATOM 0 HG3 LYS A 110 6.167 0.714 15.402 1.00 0.00 H new ATOM 0 HD2 LYS A 110 7.136 2.516 16.581 1.00 0.00 H new ATOM 0 HD3 LYS A 110 6.695 3.181 15.020 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.537 4.024 16.115 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.228 3.557 17.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 5.661 5.871 17.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.115 4.997 17.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.468 5.436 15.717 1.00 0.00 H new ATOM 1609 N CYS A 111 7.202 0.852 12.876 1.00 0.00 N ATOM 1610 CA CYS A 111 8.165 -0.164 12.489 1.00 0.00 C ATOM 1611 C CYS A 111 9.015 -0.715 13.623 1.00 0.00 C ATOM 1612 O CYS A 111 9.454 0.082 14.443 1.00 0.00 O ATOM 1613 CB CYS A 111 9.137 0.528 11.536 1.00 0.00 C ATOM 1614 SG CYS A 111 8.284 1.223 10.097 1.00 0.00 S ATOM 0 H CYS A 111 7.609 1.580 13.463 1.00 0.00 H new ATOM 0 HA CYS A 111 7.601 -1.001 12.078 1.00 0.00 H new ATOM 0 HB2 CYS A 111 9.663 1.322 12.066 1.00 0.00 H new ATOM 0 HB3 CYS A 111 9.890 -0.186 11.203 1.00 0.00 H new ATOM 0 HG CYS A 111 8.766 0.696 9.011 1.00 0.00 H new ATOM 1620 N ILE A 112 9.303 -2.017 13.655 1.00 0.00 N ATOM 1621 CA ILE A 112 10.252 -2.633 14.562 1.00 0.00 C ATOM 1622 C ILE A 112 10.927 -3.850 13.955 1.00 0.00 C ATOM 1623 O ILE A 112 10.216 -4.633 13.314 1.00 0.00 O ATOM 1624 CB ILE A 112 9.660 -2.912 15.951 1.00 0.00 C ATOM 1625 CG1 ILE A 112 10.665 -3.353 17.009 1.00 0.00 C ATOM 1626 CG2 ILE A 112 8.604 -4.011 15.880 1.00 0.00 C ATOM 1627 CD1 ILE A 112 11.615 -2.208 17.352 1.00 0.00 C ATOM 0 H ILE A 112 8.863 -2.688 13.026 1.00 0.00 H new ATOM 0 HA ILE A 112 11.038 -1.895 14.721 1.00 0.00 H new ATOM 0 HB ILE A 112 9.249 -1.948 16.250 1.00 0.00 H new ATOM 0 HG12 ILE A 112 10.139 -3.678 17.906 1.00 0.00 H new ATOM 0 HG13 ILE A 112 11.234 -4.209 16.645 1.00 0.00 H new ATOM 0 HG21 ILE A 112 8.199 -4.191 16.876 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.800 -3.701 15.212 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.057 -4.927 15.501 1.00 0.00 H new ATOM 0 HD11 ILE A 112 12.326 -2.539 18.109 1.00 0.00 H new ATOM 0 HD12 ILE A 112 12.155 -1.902 16.456 1.00 0.00 H new ATOM 0 HD13 ILE A 112 11.043 -1.364 17.737 1.00 0.00 H new ATOM 1639 N GLU A 113 12.237 -4.081 14.057 1.00 0.00 N ATOM 1640 CA GLU A 113 12.981 -5.024 13.261 1.00 0.00 C ATOM 1641 C GLU A 113 13.033 -6.447 13.784 1.00 0.00 C ATOM 1642 O GLU A 113 14.086 -7.071 13.774 1.00 0.00 O ATOM 1643 CB GLU A 113 14.312 -4.359 12.926 1.00 0.00 C ATOM 1644 CG GLU A 113 15.190 -3.958 14.110 1.00 0.00 C ATOM 1645 CD GLU A 113 16.297 -2.955 13.822 1.00 0.00 C ATOM 1646 OE1 GLU A 113 17.381 -3.453 13.461 1.00 0.00 O ATOM 1647 OE2 GLU A 113 16.118 -1.723 13.874 1.00 0.00 O1- ATOM 0 H GLU A 113 12.823 -3.587 14.731 1.00 0.00 H new ATOM 0 HA GLU A 113 12.447 -5.232 12.334 1.00 0.00 H new ATOM 0 HB2 GLU A 113 14.883 -5.038 12.292 1.00 0.00 H new ATOM 0 HB3 GLU A 113 14.108 -3.466 12.334 1.00 0.00 H new ATOM 0 HG2 GLU A 113 14.547 -3.544 14.887 1.00 0.00 H new ATOM 0 HG3 GLU A 113 15.644 -4.860 14.519 1.00 0.00 H new ATOM 1654 N GLY A 114 11.872 -6.866 14.309 1.00 0.00 N ATOM 1655 CA GLY A 114 11.502 -8.244 14.554 1.00 0.00 C ATOM 1656 C GLY A 114 11.706 -9.148 13.351 1.00 0.00 C ATOM 0 H GLY A 114 11.139 -6.212 14.583 1.00 0.00 H new ATOM 0 HA2 GLY A 114 12.088 -8.626 15.390 1.00 0.00 H new ATOM 0 HA3 GLY A 114 10.455 -8.283 14.855 1.00 0.00 H new