USER MOD reduce.3.24.130724 H: found=0, std=0, add=1111, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1112 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 134 ASN : amide:sc= 0.58 K(o=-0.29,f=-2.4) USER MOD Set 1.2: A 139 ASN : amide:sc= -0.873! K(o=-0.29!,f=-1.6) USER MOD Set 2.1: A 52 TYR OH : rot 15:sc= 1.11 USER MOD Set 2.2: A 136 HIS : no HE2:sc= 0.22 K(o=1.3,f=-4.1!) USER MOD Single : A 17 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0133) USER MOD Single : A 18 GLN : amide:sc=-0.00533 X(o=-0.0053,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.016) USER MOD Single : A 29 THR OG1 : rot 78:sc= 1.24 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -109:sc= 0.974 (180deg=-0.00839) USER MOD Single : A 35 THR OG1 : rot -9:sc= 0.195 USER MOD Single : A 36 SER OG : rot 90:sc= 0.852 USER MOD Single : A 40 SER OG : rot 180:sc= -0.433 USER MOD Single : A 41 LYS NZ :NH3+ 158:sc= -0.78 (180deg=-1.66!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.296 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0.543 K(o=0.54,f=-2.2!) USER MOD Single : A 56 MET CE :methyl -162:sc= -0.244 (180deg=-0.92) USER MOD Single : A 62 TYR OH : rot 55:sc= -0.287 USER MOD Single : A 63 LYS NZ :NH3+ 158:sc= 0.21 (180deg=-0.386) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0234) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 161:sc= 0.756 (180deg=0.388) USER MOD Single : A 78 THR OG1 : rot -146:sc= 0.0763 USER MOD Single : A 79 LYS NZ :NH3+ -168:sc= -0.763 (180deg=-1.24) USER MOD Single : A 82 LYS NZ :NH3+ -159:sc=0.000133 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 170:sc= -0.0216 (180deg=-0.144) USER MOD Single : A 90 THR OG1 : rot -79:sc= 0.523 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -142:sc= 1.09 (180deg=0.264) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 THR OG1 : rot 5:sc= -1.06 USER MOD Single : A 107 THR OG1 : rot 78:sc= 0.369 USER MOD Single : A 110 SER OG : rot 180:sc= 0.0024 USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 117 THR OG1 : rot 111:sc= 0.643 USER MOD Single : A 118 THR OG1 : rot -68:sc= 1.24 USER MOD Single : A 119 CYS SG : rot 170:sc= -1.36 USER MOD Single : A 125 GLN : amide:sc= -0.0833 K(o=-0.083,f=-1) USER MOD Single : A 127 TYR OH : rot 165:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ -134:sc= 0.988 (180deg=0.192) USER MOD Single : A 145 GLN :FLIP amide:sc= 0.648 F(o=-0.089,f=0.65) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 200 N ILE A 15 11.105 9.440 -15.984 1.00 0.00 N ATOM 201 CA ILE A 15 9.994 9.128 -15.078 1.00 0.00 C ATOM 202 C ILE A 15 10.184 7.721 -14.485 1.00 0.00 C ATOM 203 O ILE A 15 10.224 7.577 -13.273 1.00 0.00 O ATOM 204 CB ILE A 15 8.593 9.239 -15.794 1.00 0.00 C ATOM 205 CG1 ILE A 15 8.354 10.690 -16.335 1.00 0.00 C ATOM 206 CG2 ILE A 15 7.439 8.796 -14.851 1.00 0.00 C ATOM 207 CD1 ILE A 15 8.381 11.781 -15.276 1.00 0.00 C ATOM 0 HA ILE A 15 10.003 9.866 -14.276 1.00 0.00 H new ATOM 0 HB ILE A 15 8.601 8.559 -16.646 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.114 10.912 -17.084 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.389 10.719 -16.841 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.487 8.884 -15.375 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.593 7.760 -14.550 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.427 9.433 -13.967 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.206 12.749 -15.746 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.602 11.590 -14.537 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.354 11.787 -14.784 1.00 0.00 H new ATOM 219 N GLU A 16 10.349 6.704 -15.361 1.00 0.00 N ATOM 220 CA GLU A 16 10.542 5.292 -14.941 1.00 0.00 C ATOM 221 C GLU A 16 11.836 5.113 -14.127 1.00 0.00 C ATOM 222 O GLU A 16 11.900 4.258 -13.254 1.00 0.00 O ATOM 223 CB GLU A 16 10.570 4.342 -16.170 1.00 0.00 C ATOM 224 CG GLU A 16 9.264 4.300 -16.978 1.00 0.00 C ATOM 225 CD GLU A 16 9.346 3.341 -18.179 1.00 0.00 C ATOM 226 OE1 GLU A 16 9.859 3.750 -19.249 1.00 0.00 O ATOM 227 OE2 GLU A 16 8.925 2.165 -18.054 1.00 0.00 O ATOM 0 H GLU A 16 10.353 6.834 -16.373 1.00 0.00 H new ATOM 0 HA GLU A 16 9.694 5.033 -14.307 1.00 0.00 H new ATOM 0 HB2 GLU A 16 11.381 4.649 -16.831 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.802 3.334 -15.828 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.447 3.992 -16.326 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.028 5.303 -17.333 1.00 0.00 H new ATOM 234 N LYS A 17 12.846 5.937 -14.434 1.00 0.00 N ATOM 235 CA LYS A 17 14.151 5.927 -13.748 1.00 0.00 C ATOM 236 C LYS A 17 14.019 6.492 -12.320 1.00 0.00 C ATOM 237 O LYS A 17 14.480 5.861 -11.361 1.00 0.00 O ATOM 238 CB LYS A 17 15.180 6.709 -14.622 1.00 0.00 C ATOM 239 CG LYS A 17 16.563 7.052 -13.986 1.00 0.00 C ATOM 240 CD LYS A 17 16.597 8.430 -13.265 1.00 0.00 C ATOM 241 CE LYS A 17 16.153 9.583 -14.183 1.00 0.00 C ATOM 242 NZ LYS A 17 16.992 9.686 -15.409 1.00 0.00 N ATOM 0 H LYS A 17 12.783 6.638 -15.173 1.00 0.00 H new ATOM 0 HA LYS A 17 14.514 4.906 -13.632 1.00 0.00 H new ATOM 0 HB2 LYS A 17 15.362 6.127 -15.526 1.00 0.00 H new ATOM 0 HB3 LYS A 17 14.713 7.644 -14.933 1.00 0.00 H new ATOM 0 HG2 LYS A 17 16.828 6.272 -13.272 1.00 0.00 H new ATOM 0 HG3 LYS A 17 17.324 7.042 -14.766 1.00 0.00 H new ATOM 0 HD2 LYS A 17 15.948 8.395 -12.390 1.00 0.00 H new ATOM 0 HD3 LYS A 17 17.607 8.624 -12.905 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.112 9.436 -14.470 1.00 0.00 H new ATOM 0 HE3 LYS A 17 16.202 10.522 -13.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 16.699 10.517 -15.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 17.991 9.785 -15.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 16.873 8.828 -15.984 1.00 0.00 H new ATOM 256 N GLN A 18 13.373 7.676 -12.186 1.00 0.00 N ATOM 257 CA GLN A 18 13.196 8.337 -10.870 1.00 0.00 C ATOM 258 C GLN A 18 12.163 7.566 -10.017 1.00 0.00 C ATOM 259 O GLN A 18 12.203 7.610 -8.788 1.00 0.00 O ATOM 260 CB GLN A 18 12.802 9.834 -11.017 1.00 0.00 C ATOM 261 CG GLN A 18 11.362 10.096 -11.491 1.00 0.00 C ATOM 262 CD GLN A 18 11.079 11.571 -11.765 1.00 0.00 C ATOM 263 OE1 GLN A 18 10.650 12.313 -10.881 1.00 0.00 O ATOM 264 NE2 GLN A 18 11.352 12.011 -12.980 1.00 0.00 N ATOM 0 H GLN A 18 12.968 8.190 -12.968 1.00 0.00 H new ATOM 0 HA GLN A 18 14.157 8.315 -10.355 1.00 0.00 H new ATOM 0 HB2 GLN A 18 12.944 10.325 -10.054 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.489 10.305 -11.720 1.00 0.00 H new ATOM 0 HG2 GLN A 18 11.175 9.522 -12.398 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.666 9.733 -10.735 1.00 0.00 H new ATOM 0 HE21 GLN A 18 11.706 11.368 -13.688 1.00 0.00 H new ATOM 0 HE22 GLN A 18 11.209 12.994 -13.211 1.00 0.00 H new ATOM 273 N PHE A 19 11.267 6.846 -10.711 1.00 0.00 N ATOM 274 CA PHE A 19 10.255 5.968 -10.109 1.00 0.00 C ATOM 275 C PHE A 19 10.908 4.677 -9.591 1.00 0.00 C ATOM 276 O PHE A 19 10.593 4.223 -8.496 1.00 0.00 O ATOM 277 CB PHE A 19 9.153 5.674 -11.167 1.00 0.00 C ATOM 278 CG PHE A 19 8.176 4.547 -10.838 1.00 0.00 C ATOM 279 CD1 PHE A 19 7.342 4.617 -9.724 1.00 0.00 C ATOM 280 CD2 PHE A 19 8.086 3.416 -11.657 1.00 0.00 C ATOM 281 CE1 PHE A 19 6.458 3.596 -9.442 1.00 0.00 C ATOM 282 CE2 PHE A 19 7.201 2.402 -11.369 1.00 0.00 C ATOM 283 CZ PHE A 19 6.387 2.495 -10.260 1.00 0.00 C ATOM 0 H PHE A 19 11.227 6.860 -11.730 1.00 0.00 H new ATOM 0 HA PHE A 19 9.793 6.459 -9.252 1.00 0.00 H new ATOM 0 HB2 PHE A 19 8.580 6.587 -11.325 1.00 0.00 H new ATOM 0 HB3 PHE A 19 9.642 5.437 -12.112 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.388 5.479 -9.075 1.00 0.00 H new ATOM 0 HD2 PHE A 19 8.720 3.338 -12.528 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.819 3.663 -8.574 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.144 1.535 -12.011 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.692 1.700 -10.034 1.00 0.00 H new ATOM 293 N ALA A 20 11.836 4.116 -10.381 1.00 0.00 N ATOM 294 CA ALA A 20 12.526 2.858 -10.034 1.00 0.00 C ATOM 295 C ALA A 20 13.422 3.052 -8.802 1.00 0.00 C ATOM 296 O ALA A 20 13.393 2.233 -7.876 1.00 0.00 O ATOM 297 CB ALA A 20 13.345 2.348 -11.229 1.00 0.00 C ATOM 0 H ALA A 20 12.130 4.516 -11.272 1.00 0.00 H new ATOM 0 HA ALA A 20 11.773 2.109 -9.790 1.00 0.00 H new ATOM 0 HB1 ALA A 20 13.847 1.420 -10.956 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.681 2.166 -12.074 1.00 0.00 H new ATOM 0 HB3 ALA A 20 14.089 3.095 -11.506 1.00 0.00 H new ATOM 303 N VAL A 21 14.185 4.165 -8.793 1.00 0.00 N ATOM 304 CA VAL A 21 15.116 4.481 -7.700 1.00 0.00 C ATOM 305 C VAL A 21 14.350 4.733 -6.378 1.00 0.00 C ATOM 306 O VAL A 21 14.686 4.149 -5.348 1.00 0.00 O ATOM 307 CB VAL A 21 16.070 5.694 -8.060 1.00 0.00 C ATOM 308 CG1 VAL A 21 15.307 7.005 -8.311 1.00 0.00 C ATOM 309 CG2 VAL A 21 17.144 5.913 -6.982 1.00 0.00 C ATOM 0 H VAL A 21 14.171 4.862 -9.538 1.00 0.00 H new ATOM 0 HA VAL A 21 15.757 3.611 -7.557 1.00 0.00 H new ATOM 0 HB VAL A 21 16.558 5.414 -8.994 1.00 0.00 H new ATOM 0 HG11 VAL A 21 16.015 7.798 -8.553 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.616 6.870 -9.143 1.00 0.00 H new ATOM 0 HG13 VAL A 21 14.749 7.278 -7.416 1.00 0.00 H new ATOM 0 HG21 VAL A 21 17.778 6.753 -7.265 1.00 0.00 H new ATOM 0 HG22 VAL A 21 16.663 6.127 -6.028 1.00 0.00 H new ATOM 0 HG23 VAL A 21 17.753 5.014 -6.888 1.00 0.00 H new ATOM 319 N VAL A 22 13.276 5.551 -6.435 1.00 0.00 N ATOM 320 CA VAL A 22 12.496 5.910 -5.233 1.00 0.00 C ATOM 321 C VAL A 22 11.693 4.701 -4.696 1.00 0.00 C ATOM 322 O VAL A 22 11.520 4.573 -3.488 1.00 0.00 O ATOM 323 CB VAL A 22 11.534 7.138 -5.491 1.00 0.00 C ATOM 324 CG1 VAL A 22 10.338 6.770 -6.407 1.00 0.00 C ATOM 325 CG2 VAL A 22 11.040 7.764 -4.163 1.00 0.00 C ATOM 0 H VAL A 22 12.932 5.973 -7.297 1.00 0.00 H new ATOM 0 HA VAL A 22 13.219 6.209 -4.474 1.00 0.00 H new ATOM 0 HB VAL A 22 12.125 7.886 -6.019 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.708 7.647 -6.553 1.00 0.00 H new ATOM 0 HG12 VAL A 22 10.711 6.427 -7.372 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.753 5.977 -5.941 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.381 8.605 -4.380 1.00 0.00 H new ATOM 0 HG22 VAL A 22 10.495 7.015 -3.588 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.896 8.113 -3.585 1.00 0.00 H new ATOM 335 N ALA A 23 11.234 3.809 -5.603 1.00 0.00 N ATOM 336 CA ALA A 23 10.377 2.660 -5.237 1.00 0.00 C ATOM 337 C ALA A 23 11.173 1.585 -4.483 1.00 0.00 C ATOM 338 O ALA A 23 10.687 1.044 -3.481 1.00 0.00 O ATOM 339 CB ALA A 23 9.708 2.064 -6.483 1.00 0.00 C ATOM 0 H ALA A 23 11.445 3.865 -6.599 1.00 0.00 H new ATOM 0 HA ALA A 23 9.598 3.027 -4.568 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.082 1.220 -6.192 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.092 2.824 -6.964 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.474 1.724 -7.180 1.00 0.00 H new ATOM 345 N VAL A 24 12.401 1.289 -4.966 1.00 0.00 N ATOM 346 CA VAL A 24 13.273 0.280 -4.333 1.00 0.00 C ATOM 347 C VAL A 24 13.761 0.770 -2.958 1.00 0.00 C ATOM 348 O VAL A 24 13.829 -0.023 -2.011 1.00 0.00 O ATOM 349 CB VAL A 24 14.495 -0.153 -5.243 1.00 0.00 C ATOM 350 CG1 VAL A 24 13.998 -0.758 -6.581 1.00 0.00 C ATOM 351 CG2 VAL A 24 15.496 1.011 -5.495 1.00 0.00 C ATOM 0 H VAL A 24 12.807 1.734 -5.789 1.00 0.00 H new ATOM 0 HA VAL A 24 12.663 -0.613 -4.198 1.00 0.00 H new ATOM 0 HB VAL A 24 15.041 -0.921 -4.695 1.00 0.00 H new ATOM 0 HG11 VAL A 24 14.855 -1.048 -7.190 1.00 0.00 H new ATOM 0 HG12 VAL A 24 13.384 -1.635 -6.378 1.00 0.00 H new ATOM 0 HG13 VAL A 24 13.406 -0.017 -7.118 1.00 0.00 H new ATOM 0 HG21 VAL A 24 16.313 0.658 -6.124 1.00 0.00 H new ATOM 0 HG22 VAL A 24 14.981 1.832 -5.995 1.00 0.00 H new ATOM 0 HG23 VAL A 24 15.896 1.360 -4.543 1.00 0.00 H new ATOM 361 N GLU A 25 14.059 2.090 -2.857 1.00 0.00 N ATOM 362 CA GLU A 25 14.472 2.728 -1.590 1.00 0.00 C ATOM 363 C GLU A 25 13.314 2.737 -0.583 1.00 0.00 C ATOM 364 O GLU A 25 13.507 2.417 0.583 1.00 0.00 O ATOM 365 CB GLU A 25 14.973 4.178 -1.825 1.00 0.00 C ATOM 366 CG GLU A 25 16.280 4.277 -2.623 1.00 0.00 C ATOM 367 CD GLU A 25 16.773 5.727 -2.791 1.00 0.00 C ATOM 368 OE1 GLU A 25 16.321 6.421 -3.726 1.00 0.00 O ATOM 369 OE2 GLU A 25 17.601 6.181 -1.974 1.00 0.00 O ATOM 0 H GLU A 25 14.019 2.734 -3.647 1.00 0.00 H new ATOM 0 HA GLU A 25 15.294 2.140 -1.182 1.00 0.00 H new ATOM 0 HB2 GLU A 25 14.198 4.736 -2.350 1.00 0.00 H new ATOM 0 HB3 GLU A 25 15.115 4.661 -0.858 1.00 0.00 H new ATOM 0 HG2 GLU A 25 17.051 3.693 -2.121 1.00 0.00 H new ATOM 0 HG3 GLU A 25 16.133 3.832 -3.607 1.00 0.00 H new ATOM 376 N GLN A 26 12.106 3.065 -1.068 1.00 0.00 N ATOM 377 CA GLN A 26 10.905 3.205 -0.221 1.00 0.00 C ATOM 378 C GLN A 26 10.558 1.857 0.447 1.00 0.00 C ATOM 379 O GLN A 26 10.381 1.783 1.666 1.00 0.00 O ATOM 380 CB GLN A 26 9.708 3.722 -1.072 1.00 0.00 C ATOM 381 CG GLN A 26 8.524 4.278 -0.262 1.00 0.00 C ATOM 382 CD GLN A 26 8.844 5.603 0.438 1.00 0.00 C ATOM 383 OE1 GLN A 26 8.637 6.680 -0.129 1.00 0.00 O ATOM 384 NE2 GLN A 26 9.379 5.538 1.654 1.00 0.00 N ATOM 0 H GLN A 26 11.932 3.241 -2.057 1.00 0.00 H new ATOM 0 HA GLN A 26 11.111 3.932 0.565 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.069 4.503 -1.742 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.348 2.906 -1.699 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.672 4.422 -0.927 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.225 3.542 0.485 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.537 4.631 2.094 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.632 6.395 2.147 1.00 0.00 H new ATOM 393 N ALA A 27 10.541 0.795 -0.378 1.00 0.00 N ATOM 394 CA ALA A 27 10.160 -0.566 0.043 1.00 0.00 C ATOM 395 C ALA A 27 11.164 -1.157 1.050 1.00 0.00 C ATOM 396 O ALA A 27 10.761 -1.686 2.098 1.00 0.00 O ATOM 397 CB ALA A 27 10.038 -1.477 -1.182 1.00 0.00 C ATOM 0 H ALA A 27 10.793 0.857 -1.364 1.00 0.00 H new ATOM 0 HA ALA A 27 9.194 -0.501 0.545 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.756 -2.480 -0.863 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.276 -1.083 -1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.995 -1.517 -1.702 1.00 0.00 H new ATOM 403 N GLU A 28 12.477 -1.046 0.722 1.00 0.00 N ATOM 404 CA GLU A 28 13.557 -1.596 1.570 1.00 0.00 C ATOM 405 C GLU A 28 13.597 -0.873 2.927 1.00 0.00 C ATOM 406 O GLU A 28 13.832 -1.507 3.948 1.00 0.00 O ATOM 407 CB GLU A 28 14.951 -1.500 0.879 1.00 0.00 C ATOM 408 CG GLU A 28 15.517 -0.068 0.770 1.00 0.00 C ATOM 409 CD GLU A 28 16.884 0.009 0.096 1.00 0.00 C ATOM 410 OE1 GLU A 28 16.938 0.106 -1.146 1.00 0.00 O ATOM 411 OE2 GLU A 28 17.911 -0.035 0.809 1.00 0.00 O ATOM 0 H GLU A 28 12.809 -0.581 -0.123 1.00 0.00 H new ATOM 0 HA GLU A 28 13.335 -2.652 1.727 1.00 0.00 H new ATOM 0 HB2 GLU A 28 15.660 -2.115 1.433 1.00 0.00 H new ATOM 0 HB3 GLU A 28 14.875 -1.924 -0.122 1.00 0.00 H new ATOM 0 HG2 GLU A 28 14.813 0.549 0.212 1.00 0.00 H new ATOM 0 HG3 GLU A 28 15.592 0.359 1.770 1.00 0.00 H new ATOM 418 N THR A 29 13.329 0.454 2.912 1.00 0.00 N ATOM 419 CA THR A 29 13.347 1.289 4.118 1.00 0.00 C ATOM 420 C THR A 29 12.298 0.804 5.121 1.00 0.00 C ATOM 421 O THR A 29 12.646 0.520 6.256 1.00 0.00 O ATOM 422 CB THR A 29 13.125 2.802 3.777 1.00 0.00 C ATOM 423 OG1 THR A 29 14.233 3.292 3.013 1.00 0.00 O ATOM 424 CG2 THR A 29 12.955 3.690 5.027 1.00 0.00 C ATOM 0 H THR A 29 13.096 0.967 2.062 1.00 0.00 H new ATOM 0 HA THR A 29 14.334 1.195 4.570 1.00 0.00 H new ATOM 0 HB THR A 29 12.197 2.857 3.207 1.00 0.00 H new ATOM 0 HG1 THR A 29 14.149 2.991 2.084 1.00 0.00 H new ATOM 0 HG21 THR A 29 12.805 4.725 4.720 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.091 3.352 5.599 1.00 0.00 H new ATOM 0 HG23 THR A 29 13.849 3.621 5.647 1.00 0.00 H new ATOM 432 N TYR A 30 11.037 0.654 4.669 1.00 0.00 N ATOM 433 CA TYR A 30 9.921 0.209 5.534 1.00 0.00 C ATOM 434 C TYR A 30 10.157 -1.202 6.101 1.00 0.00 C ATOM 435 O TYR A 30 9.776 -1.483 7.238 1.00 0.00 O ATOM 436 CB TYR A 30 8.570 0.289 4.778 1.00 0.00 C ATOM 437 CG TYR A 30 8.071 1.726 4.584 1.00 0.00 C ATOM 438 CD1 TYR A 30 7.833 2.546 5.686 1.00 0.00 C ATOM 439 CD2 TYR A 30 7.834 2.256 3.320 1.00 0.00 C ATOM 440 CE1 TYR A 30 7.381 3.834 5.532 1.00 0.00 C ATOM 441 CE2 TYR A 30 7.380 3.546 3.162 1.00 0.00 C ATOM 442 CZ TYR A 30 7.155 4.334 4.267 1.00 0.00 C ATOM 443 OH TYR A 30 6.694 5.622 4.109 1.00 0.00 O ATOM 0 H TYR A 30 10.763 0.835 3.703 1.00 0.00 H new ATOM 0 HA TYR A 30 9.878 0.891 6.383 1.00 0.00 H new ATOM 0 HB2 TYR A 30 8.678 -0.186 3.803 1.00 0.00 H new ATOM 0 HB3 TYR A 30 7.819 -0.278 5.328 1.00 0.00 H new ATOM 0 HD1 TYR A 30 8.007 2.161 6.680 1.00 0.00 H new ATOM 0 HD2 TYR A 30 8.009 1.645 2.447 1.00 0.00 H new ATOM 0 HE1 TYR A 30 7.203 4.453 6.399 1.00 0.00 H new ATOM 0 HE2 TYR A 30 7.201 3.939 2.172 1.00 0.00 H new ATOM 0 HH TYR A 30 6.589 5.817 3.154 1.00 0.00 H new ATOM 453 N TRP A 31 10.816 -2.065 5.307 1.00 0.00 N ATOM 454 CA TRP A 31 11.261 -3.402 5.753 1.00 0.00 C ATOM 455 C TRP A 31 12.230 -3.260 6.957 1.00 0.00 C ATOM 456 O TRP A 31 12.015 -3.855 8.013 1.00 0.00 O ATOM 457 CB TRP A 31 11.937 -4.130 4.557 1.00 0.00 C ATOM 458 CG TRP A 31 12.471 -5.515 4.851 1.00 0.00 C ATOM 459 CD1 TRP A 31 13.677 -5.835 5.416 1.00 0.00 C ATOM 460 CD2 TRP A 31 11.822 -6.764 4.578 1.00 0.00 C ATOM 461 NE1 TRP A 31 13.805 -7.189 5.513 1.00 0.00 N ATOM 462 CE2 TRP A 31 12.687 -7.785 5.005 1.00 0.00 C ATOM 463 CE3 TRP A 31 10.591 -7.115 4.014 1.00 0.00 C ATOM 464 CZ2 TRP A 31 12.364 -9.132 4.887 1.00 0.00 C ATOM 465 CZ3 TRP A 31 10.271 -8.451 3.897 1.00 0.00 C ATOM 466 CH2 TRP A 31 11.158 -9.447 4.330 1.00 0.00 C ATOM 0 H TRP A 31 11.056 -1.857 4.338 1.00 0.00 H new ATOM 0 HA TRP A 31 10.409 -3.995 6.085 1.00 0.00 H new ATOM 0 HB2 TRP A 31 11.214 -4.204 3.744 1.00 0.00 H new ATOM 0 HB3 TRP A 31 12.759 -3.512 4.197 1.00 0.00 H new ATOM 0 HD1 TRP A 31 14.419 -5.119 5.738 1.00 0.00 H new ATOM 0 HE1 TRP A 31 14.610 -7.679 5.904 1.00 0.00 H new ATOM 0 HE3 TRP A 31 9.904 -6.353 3.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 13.043 -9.902 5.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 9.323 -8.735 3.465 1.00 0.00 H new ATOM 0 HH2 TRP A 31 10.881 -10.485 4.221 1.00 0.00 H new ATOM 477 N LYS A 32 13.259 -2.413 6.767 1.00 0.00 N ATOM 478 CA LYS A 32 14.338 -2.167 7.754 1.00 0.00 C ATOM 479 C LYS A 32 13.821 -1.444 9.010 1.00 0.00 C ATOM 480 O LYS A 32 14.357 -1.634 10.106 1.00 0.00 O ATOM 481 CB LYS A 32 15.464 -1.353 7.091 1.00 0.00 C ATOM 482 CG LYS A 32 16.130 -2.096 5.919 1.00 0.00 C ATOM 483 CD LYS A 32 17.206 -1.251 5.236 1.00 0.00 C ATOM 484 CE LYS A 32 17.777 -1.925 3.976 1.00 0.00 C ATOM 485 NZ LYS A 32 18.834 -1.105 3.332 1.00 0.00 N ATOM 0 H LYS A 32 13.370 -1.870 5.911 1.00 0.00 H new ATOM 0 HA LYS A 32 14.724 -3.133 8.079 1.00 0.00 H new ATOM 0 HB2 LYS A 32 15.059 -0.407 6.732 1.00 0.00 H new ATOM 0 HB3 LYS A 32 16.220 -1.112 7.838 1.00 0.00 H new ATOM 0 HG2 LYS A 32 16.575 -3.022 6.284 1.00 0.00 H new ATOM 0 HG3 LYS A 32 15.370 -2.374 5.188 1.00 0.00 H new ATOM 0 HD2 LYS A 32 16.785 -0.282 4.966 1.00 0.00 H new ATOM 0 HD3 LYS A 32 18.016 -1.062 5.941 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.187 -2.900 4.241 1.00 0.00 H new ATOM 0 HE3 LYS A 32 16.971 -2.101 3.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 18.474 -0.714 2.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 19.105 -0.327 3.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 19.665 -1.699 3.139 1.00 0.00 H new ATOM 499 N LEU A 33 12.769 -0.621 8.833 1.00 0.00 N ATOM 500 CA LEU A 33 12.116 0.102 9.935 1.00 0.00 C ATOM 501 C LEU A 33 11.386 -0.898 10.843 1.00 0.00 C ATOM 502 O LEU A 33 11.468 -0.798 12.065 1.00 0.00 O ATOM 503 CB LEU A 33 11.112 1.164 9.399 1.00 0.00 C ATOM 504 CG LEU A 33 11.704 2.364 8.594 1.00 0.00 C ATOM 505 CD1 LEU A 33 10.593 3.342 8.144 1.00 0.00 C ATOM 506 CD2 LEU A 33 12.803 3.092 9.389 1.00 0.00 C ATOM 0 H LEU A 33 12.350 -0.441 7.921 1.00 0.00 H new ATOM 0 HA LEU A 33 12.884 0.625 10.505 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.389 0.654 8.762 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.561 1.567 10.249 1.00 0.00 H new ATOM 0 HG LEU A 33 12.168 1.956 7.696 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.038 4.166 7.586 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.881 2.816 7.508 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.076 3.734 9.020 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.192 3.921 8.797 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.385 3.475 10.320 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.611 2.396 9.613 1.00 0.00 H new ATOM 518 N LEU A 34 10.692 -1.869 10.214 1.00 0.00 N ATOM 519 CA LEU A 34 9.933 -2.906 10.931 1.00 0.00 C ATOM 520 C LEU A 34 10.877 -3.859 11.689 1.00 0.00 C ATOM 521 O LEU A 34 10.636 -4.158 12.856 1.00 0.00 O ATOM 522 CB LEU A 34 9.013 -3.690 9.955 1.00 0.00 C ATOM 523 CG LEU A 34 7.826 -2.880 9.330 1.00 0.00 C ATOM 524 CD1 LEU A 34 7.025 -3.741 8.325 1.00 0.00 C ATOM 525 CD2 LEU A 34 6.907 -2.291 10.426 1.00 0.00 C ATOM 0 H LEU A 34 10.644 -1.953 9.199 1.00 0.00 H new ATOM 0 HA LEU A 34 9.300 -2.412 11.667 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.627 -4.081 9.144 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.601 -4.548 10.486 1.00 0.00 H new ATOM 0 HG LEU A 34 8.254 -2.044 8.777 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.209 -3.150 7.909 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.683 -4.067 7.520 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.618 -4.613 8.837 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.094 -1.735 9.959 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.494 -3.100 11.028 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.484 -1.622 11.064 1.00 0.00 H new ATOM 537 N THR A 35 11.981 -4.285 11.041 1.00 0.00 N ATOM 538 CA THR A 35 12.959 -5.214 11.660 1.00 0.00 C ATOM 539 C THR A 35 13.652 -4.585 12.899 1.00 0.00 C ATOM 540 O THR A 35 14.145 -5.307 13.775 1.00 0.00 O ATOM 541 CB THR A 35 14.043 -5.674 10.624 1.00 0.00 C ATOM 542 OG1 THR A 35 14.746 -4.531 10.110 1.00 0.00 O ATOM 543 CG2 THR A 35 13.434 -6.473 9.453 1.00 0.00 C ATOM 0 H THR A 35 12.220 -4.003 10.090 1.00 0.00 H new ATOM 0 HA THR A 35 12.394 -6.085 11.990 1.00 0.00 H new ATOM 0 HB THR A 35 14.732 -6.334 11.151 1.00 0.00 H new ATOM 0 HG1 THR A 35 14.297 -3.711 10.404 1.00 0.00 H new ATOM 0 HG21 THR A 35 14.225 -6.768 8.764 1.00 0.00 H new ATOM 0 HG22 THR A 35 12.938 -7.363 9.839 1.00 0.00 H new ATOM 0 HG23 THR A 35 12.708 -5.852 8.928 1.00 0.00 H new ATOM 551 N SER A 36 13.668 -3.236 12.957 1.00 0.00 N ATOM 552 CA SER A 36 14.305 -2.473 14.050 1.00 0.00 C ATOM 553 C SER A 36 13.302 -2.089 15.162 1.00 0.00 C ATOM 554 O SER A 36 13.658 -2.108 16.346 1.00 0.00 O ATOM 555 CB SER A 36 14.988 -1.223 13.461 1.00 0.00 C ATOM 556 OG SER A 36 15.941 -1.597 12.479 1.00 0.00 O ATOM 0 H SER A 36 13.238 -2.645 12.245 1.00 0.00 H new ATOM 0 HA SER A 36 15.052 -3.110 14.523 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.239 -0.566 13.019 1.00 0.00 H new ATOM 0 HB3 SER A 36 15.477 -0.659 14.256 1.00 0.00 H new ATOM 0 HG SER A 36 15.509 -1.630 11.600 1.00 0.00 H new ATOM 562 N VAL A 37 12.060 -1.728 14.781 1.00 0.00 N ATOM 563 CA VAL A 37 10.980 -1.337 15.732 1.00 0.00 C ATOM 564 C VAL A 37 9.626 -1.937 15.262 1.00 0.00 C ATOM 565 O VAL A 37 9.396 -2.041 14.057 1.00 0.00 O ATOM 566 CB VAL A 37 10.842 0.238 15.895 1.00 0.00 C ATOM 567 CG1 VAL A 37 12.096 0.874 16.544 1.00 0.00 C ATOM 568 CG2 VAL A 37 10.505 0.929 14.556 1.00 0.00 C ATOM 0 H VAL A 37 11.769 -1.697 13.804 1.00 0.00 H new ATOM 0 HA VAL A 37 11.253 -1.736 16.709 1.00 0.00 H new ATOM 0 HB VAL A 37 10.005 0.402 16.574 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.953 1.951 16.634 1.00 0.00 H new ATOM 0 HG12 VAL A 37 12.251 0.445 17.534 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.968 0.675 15.922 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.420 2.004 14.713 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.297 0.729 13.834 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.560 0.542 14.174 1.00 0.00 H new ATOM 578 N PRO A 38 8.670 -2.279 16.201 1.00 0.00 N ATOM 579 CA PRO A 38 7.438 -3.057 15.863 1.00 0.00 C ATOM 580 C PRO A 38 6.311 -2.247 15.163 1.00 0.00 C ATOM 581 O PRO A 38 5.145 -2.662 15.177 1.00 0.00 O ATOM 582 CB PRO A 38 6.990 -3.580 17.250 1.00 0.00 C ATOM 583 CG PRO A 38 7.411 -2.500 18.201 1.00 0.00 C ATOM 584 CD PRO A 38 8.715 -1.948 17.657 1.00 0.00 C ATOM 0 HA PRO A 38 7.648 -3.831 15.125 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.913 -3.745 17.285 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.466 -4.531 17.490 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.653 -1.719 18.265 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.545 -2.897 19.207 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.792 -0.873 17.819 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.576 -2.406 18.144 1.00 0.00 H new ATOM 592 N GLY A 39 6.672 -1.111 14.540 1.00 0.00 N ATOM 593 CA GLY A 39 5.716 -0.279 13.797 1.00 0.00 C ATOM 594 C GLY A 39 4.825 0.596 14.679 1.00 0.00 C ATOM 595 O GLY A 39 4.013 1.366 14.159 1.00 0.00 O ATOM 0 H GLY A 39 7.626 -0.749 14.538 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.268 0.362 13.109 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.083 -0.927 13.191 1.00 0.00 H new ATOM 599 N SER A 40 5.020 0.517 16.009 1.00 0.00 N ATOM 600 CA SER A 40 4.153 1.182 17.006 1.00 0.00 C ATOM 601 C SER A 40 4.232 2.726 16.937 1.00 0.00 C ATOM 602 O SER A 40 3.285 3.415 17.318 1.00 0.00 O ATOM 603 CB SER A 40 4.532 0.695 18.415 1.00 0.00 C ATOM 604 OG SER A 40 4.536 -0.723 18.486 1.00 0.00 O ATOM 0 H SER A 40 5.786 -0.012 16.426 1.00 0.00 H new ATOM 0 HA SER A 40 3.122 0.912 16.776 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.517 1.078 18.682 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.827 1.096 19.143 1.00 0.00 H new ATOM 0 HG SER A 40 4.782 -1.004 19.392 1.00 0.00 H new ATOM 610 N LYS A 41 5.366 3.257 16.451 1.00 0.00 N ATOM 611 CA LYS A 41 5.582 4.718 16.296 1.00 0.00 C ATOM 612 C LYS A 41 5.676 5.098 14.807 1.00 0.00 C ATOM 613 O LYS A 41 5.813 6.281 14.471 1.00 0.00 O ATOM 614 CB LYS A 41 6.870 5.185 17.047 1.00 0.00 C ATOM 615 CG LYS A 41 8.220 4.649 16.474 1.00 0.00 C ATOM 616 CD LYS A 41 8.565 3.192 16.889 1.00 0.00 C ATOM 617 CE LYS A 41 9.195 3.074 18.294 1.00 0.00 C ATOM 618 NZ LYS A 41 8.290 3.490 19.395 1.00 0.00 N ATOM 0 H LYS A 41 6.162 2.693 16.153 1.00 0.00 H new ATOM 0 HA LYS A 41 4.725 5.225 16.739 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.899 6.275 17.037 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.792 4.878 18.090 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.185 4.705 15.386 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.025 5.307 16.801 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.656 2.591 16.857 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.253 2.769 16.157 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.501 2.041 18.459 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.098 3.683 18.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.604 3.054 20.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.311 4.525 19.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.320 3.182 19.182 1.00 0.00 H new ATOM 632 N LEU A 42 5.612 4.087 13.921 1.00 0.00 N ATOM 633 CA LEU A 42 5.771 4.278 12.472 1.00 0.00 C ATOM 634 C LEU A 42 4.423 4.573 11.816 1.00 0.00 C ATOM 635 O LEU A 42 3.399 3.979 12.176 1.00 0.00 O ATOM 636 CB LEU A 42 6.402 3.021 11.813 1.00 0.00 C ATOM 637 CG LEU A 42 7.844 2.647 12.282 1.00 0.00 C ATOM 638 CD1 LEU A 42 8.314 1.339 11.611 1.00 0.00 C ATOM 639 CD2 LEU A 42 8.840 3.806 12.023 1.00 0.00 C ATOM 0 H LEU A 42 5.449 3.117 14.191 1.00 0.00 H new ATOM 0 HA LEU A 42 6.437 5.128 12.322 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.748 2.170 12.003 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.421 3.173 10.734 1.00 0.00 H new ATOM 0 HG LEU A 42 7.816 2.480 13.359 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.321 1.097 11.951 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.636 0.529 11.878 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.318 1.466 10.528 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.834 3.514 12.361 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.870 4.029 10.956 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.517 4.692 12.570 1.00 0.00 H new ATOM 651 N ARG A 43 4.447 5.492 10.848 1.00 0.00 N ATOM 652 CA ARG A 43 3.295 5.827 10.006 1.00 0.00 C ATOM 653 C ARG A 43 3.760 6.131 8.575 1.00 0.00 C ATOM 654 O ARG A 43 4.921 6.501 8.348 1.00 0.00 O ATOM 655 CB ARG A 43 2.457 6.991 10.635 1.00 0.00 C ATOM 656 CG ARG A 43 3.236 8.200 11.229 1.00 0.00 C ATOM 657 CD ARG A 43 4.004 9.036 10.194 1.00 0.00 C ATOM 658 NE ARG A 43 4.503 10.309 10.744 1.00 0.00 N ATOM 659 CZ ARG A 43 4.944 11.341 10.008 1.00 0.00 C ATOM 660 NH1 ARG A 43 4.959 11.278 8.682 1.00 0.00 N ATOM 661 NH2 ARG A 43 5.347 12.446 10.606 1.00 0.00 N ATOM 0 H ARG A 43 5.281 6.034 10.623 1.00 0.00 H new ATOM 0 HA ARG A 43 2.627 4.967 9.953 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.781 7.371 9.869 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.837 6.569 11.426 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.532 8.848 11.750 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.941 7.831 11.974 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.845 8.455 9.816 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.352 9.243 9.345 1.00 0.00 H new ATOM 0 HE ARG A 43 4.514 10.413 11.759 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.632 10.436 8.208 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.297 12.071 8.138 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.323 12.513 11.623 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.683 13.233 10.051 1.00 0.00 H new ATOM 675 N LEU A 44 2.847 5.959 7.622 1.00 0.00 N ATOM 676 CA LEU A 44 3.120 6.149 6.192 1.00 0.00 C ATOM 677 C LEU A 44 2.701 7.565 5.753 1.00 0.00 C ATOM 678 O LEU A 44 3.291 8.136 4.826 1.00 0.00 O ATOM 679 CB LEU A 44 2.354 5.074 5.372 1.00 0.00 C ATOM 680 CG LEU A 44 2.506 3.582 5.836 1.00 0.00 C ATOM 681 CD1 LEU A 44 1.794 2.621 4.868 1.00 0.00 C ATOM 682 CD2 LEU A 44 3.981 3.179 6.021 1.00 0.00 C ATOM 0 H LEU A 44 1.886 5.681 7.819 1.00 0.00 H new ATOM 0 HA LEU A 44 4.189 6.039 6.011 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.294 5.327 5.388 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.682 5.141 4.335 1.00 0.00 H new ATOM 0 HG LEU A 44 2.024 3.504 6.810 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.918 1.596 5.217 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.732 2.865 4.828 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.227 2.720 3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.036 2.139 6.342 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.511 3.296 5.076 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.441 3.817 6.776 1.00 0.00 H new ATOM 694 N THR A 45 1.663 8.106 6.423 1.00 0.00 N ATOM 695 CA THR A 45 1.082 9.440 6.141 1.00 0.00 C ATOM 696 C THR A 45 0.853 10.179 7.482 1.00 0.00 C ATOM 697 O THR A 45 1.537 9.901 8.465 1.00 0.00 O ATOM 698 CB THR A 45 -0.281 9.294 5.366 1.00 0.00 C ATOM 699 OG1 THR A 45 -1.244 8.615 6.175 1.00 0.00 O ATOM 700 CG2 THR A 45 -0.140 8.533 4.048 1.00 0.00 C ATOM 0 H THR A 45 1.195 7.622 7.189 1.00 0.00 H new ATOM 0 HA THR A 45 1.770 10.010 5.517 1.00 0.00 H new ATOM 0 HB THR A 45 -0.608 10.309 5.140 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.086 8.533 5.681 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.113 8.465 3.561 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.556 9.060 3.396 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.237 7.530 4.246 1.00 0.00 H new ATOM 708 N LYS A 46 -0.088 11.143 7.512 1.00 0.00 N ATOM 709 CA LYS A 46 -0.606 11.742 8.769 1.00 0.00 C ATOM 710 C LYS A 46 -2.133 11.557 8.845 1.00 0.00 C ATOM 711 O LYS A 46 -2.806 12.148 9.695 1.00 0.00 O ATOM 712 CB LYS A 46 -0.205 13.245 8.836 1.00 0.00 C ATOM 713 CG LYS A 46 1.323 13.494 8.794 1.00 0.00 C ATOM 714 CD LYS A 46 1.681 14.997 8.743 1.00 0.00 C ATOM 715 CE LYS A 46 3.198 15.241 8.656 1.00 0.00 C ATOM 716 NZ LYS A 46 3.532 16.691 8.598 1.00 0.00 N ATOM 0 H LYS A 46 -0.513 11.531 6.670 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.166 11.237 9.629 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.671 13.772 8.003 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.608 13.677 9.752 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.785 13.044 9.673 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.745 12.994 7.922 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.193 15.454 7.882 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.288 15.491 9.631 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.687 14.792 9.520 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.594 14.743 7.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.564 16.808 8.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.088 17.116 7.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.178 17.163 9.454 1.00 0.00 H new ATOM 730 N PHE A 47 -2.661 10.697 7.955 1.00 0.00 N ATOM 731 CA PHE A 47 -4.102 10.422 7.806 1.00 0.00 C ATOM 732 C PHE A 47 -4.285 8.898 7.655 1.00 0.00 C ATOM 733 O PHE A 47 -5.228 8.435 7.026 1.00 0.00 O ATOM 734 CB PHE A 47 -4.663 11.194 6.560 1.00 0.00 C ATOM 735 CG PHE A 47 -4.393 12.697 6.588 1.00 0.00 C ATOM 736 CD1 PHE A 47 -5.254 13.568 7.254 1.00 0.00 C ATOM 737 CD2 PHE A 47 -3.266 13.234 5.962 1.00 0.00 C ATOM 738 CE1 PHE A 47 -4.996 14.927 7.289 1.00 0.00 C ATOM 739 CE2 PHE A 47 -3.010 14.587 5.994 1.00 0.00 C ATOM 740 CZ PHE A 47 -3.874 15.437 6.659 1.00 0.00 C ATOM 0 H PHE A 47 -2.085 10.162 7.305 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.656 10.764 8.680 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.223 10.773 5.656 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.739 11.029 6.497 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.132 13.178 7.748 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.583 12.577 5.444 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.671 15.591 7.809 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.135 14.983 5.500 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.674 16.498 6.687 1.00 0.00 H new ATOM 750 N ASP A 48 -3.378 8.129 8.292 1.00 0.00 N ATOM 751 CA ASP A 48 -3.278 6.661 8.129 1.00 0.00 C ATOM 752 C ASP A 48 -4.581 5.942 8.480 1.00 0.00 C ATOM 753 O ASP A 48 -5.049 5.067 7.734 1.00 0.00 O ATOM 754 CB ASP A 48 -2.144 6.092 9.020 1.00 0.00 C ATOM 755 CG ASP A 48 -0.769 6.618 8.619 1.00 0.00 C ATOM 756 OD1 ASP A 48 -0.384 7.704 9.078 1.00 0.00 O ATOM 757 OD2 ASP A 48 -0.088 5.976 7.800 1.00 0.00 O ATOM 0 H ASP A 48 -2.688 8.511 8.939 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.061 6.483 7.076 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.339 6.350 10.061 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.147 5.004 8.956 1.00 0.00 H new ATOM 762 N ASP A 49 -5.160 6.351 9.613 1.00 0.00 N ATOM 763 CA ASP A 49 -6.316 5.664 10.206 1.00 0.00 C ATOM 764 C ASP A 49 -7.565 5.808 9.314 1.00 0.00 C ATOM 765 O ASP A 49 -8.312 4.845 9.154 1.00 0.00 O ATOM 766 CB ASP A 49 -6.580 6.188 11.642 1.00 0.00 C ATOM 767 CG ASP A 49 -7.536 5.284 12.443 1.00 0.00 C ATOM 768 OD1 ASP A 49 -7.120 4.160 12.792 1.00 0.00 O ATOM 769 OD2 ASP A 49 -8.689 5.683 12.719 1.00 0.00 O ATOM 0 H ASP A 49 -4.844 7.163 10.144 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.087 4.601 10.273 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.632 6.268 12.174 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.000 7.192 11.586 1.00 0.00 H new ATOM 774 N GLU A 50 -7.739 6.994 8.684 1.00 0.00 N ATOM 775 CA GLU A 50 -8.903 7.262 7.811 1.00 0.00 C ATOM 776 C GLU A 50 -8.770 6.494 6.485 1.00 0.00 C ATOM 777 O GLU A 50 -9.770 6.067 5.921 1.00 0.00 O ATOM 778 CB GLU A 50 -9.104 8.782 7.523 1.00 0.00 C ATOM 779 CG GLU A 50 -8.063 9.417 6.576 1.00 0.00 C ATOM 780 CD GLU A 50 -8.490 10.764 5.997 1.00 0.00 C ATOM 781 OE1 GLU A 50 -9.196 10.773 4.966 1.00 0.00 O ATOM 782 OE2 GLU A 50 -8.134 11.820 6.563 1.00 0.00 O ATOM 0 H GLU A 50 -7.090 7.777 8.765 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.784 6.914 8.351 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.096 8.926 7.095 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.085 9.320 8.471 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.126 9.547 7.117 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.865 8.727 5.756 1.00 0.00 H new ATOM 789 N ILE A 51 -7.517 6.334 5.989 1.00 0.00 N ATOM 790 CA ILE A 51 -7.235 5.552 4.763 1.00 0.00 C ATOM 791 C ILE A 51 -7.732 4.106 4.942 1.00 0.00 C ATOM 792 O ILE A 51 -8.389 3.553 4.057 1.00 0.00 O ATOM 793 CB ILE A 51 -5.703 5.582 4.388 1.00 0.00 C ATOM 794 CG1 ILE A 51 -5.229 7.052 4.146 1.00 0.00 C ATOM 795 CG2 ILE A 51 -5.400 4.701 3.145 1.00 0.00 C ATOM 796 CD1 ILE A 51 -3.727 7.219 3.959 1.00 0.00 C ATOM 0 H ILE A 51 -6.686 6.738 6.422 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.772 6.013 3.934 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.148 5.167 5.229 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.736 7.441 3.263 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.546 7.664 4.991 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.335 4.747 2.917 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.682 3.669 3.353 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.970 5.068 2.291 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.495 8.272 3.798 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.208 6.866 4.850 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.401 6.639 3.095 1.00 0.00 H new ATOM 808 N TYR A 52 -7.468 3.556 6.138 1.00 0.00 N ATOM 809 CA TYR A 52 -7.945 2.230 6.554 1.00 0.00 C ATOM 810 C TYR A 52 -9.494 2.190 6.627 1.00 0.00 C ATOM 811 O TYR A 52 -10.119 1.265 6.095 1.00 0.00 O ATOM 812 CB TYR A 52 -7.319 1.865 7.928 1.00 0.00 C ATOM 813 CG TYR A 52 -7.881 0.582 8.569 1.00 0.00 C ATOM 814 CD1 TYR A 52 -7.364 -0.672 8.251 1.00 0.00 C ATOM 815 CD2 TYR A 52 -8.939 0.634 9.484 1.00 0.00 C ATOM 816 CE1 TYR A 52 -7.882 -1.821 8.817 1.00 0.00 C ATOM 817 CE2 TYR A 52 -9.452 -0.509 10.051 1.00 0.00 C ATOM 818 CZ TYR A 52 -8.926 -1.734 9.714 1.00 0.00 C ATOM 819 OH TYR A 52 -9.448 -2.880 10.276 1.00 0.00 O ATOM 0 H TYR A 52 -6.910 4.026 6.851 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.635 1.495 5.811 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.242 1.751 7.803 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -7.474 2.697 8.615 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.545 -0.747 7.551 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -9.361 1.592 9.750 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.470 -2.785 8.558 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -10.265 -0.445 10.759 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.830 -3.627 10.130 1.00 0.00 H new ATOM 829 N GLU A 53 -10.086 3.196 7.309 1.00 0.00 N ATOM 830 CA GLU A 53 -11.545 3.253 7.562 1.00 0.00 C ATOM 831 C GLU A 53 -12.328 3.341 6.243 1.00 0.00 C ATOM 832 O GLU A 53 -13.067 2.423 5.917 1.00 0.00 O ATOM 833 CB GLU A 53 -11.903 4.454 8.481 1.00 0.00 C ATOM 834 CG GLU A 53 -11.325 4.364 9.902 1.00 0.00 C ATOM 835 CD GLU A 53 -11.644 5.597 10.767 1.00 0.00 C ATOM 836 OE1 GLU A 53 -11.206 6.712 10.407 1.00 0.00 O ATOM 837 OE2 GLU A 53 -12.355 5.467 11.791 1.00 0.00 O ATOM 0 H GLU A 53 -9.571 3.986 7.697 1.00 0.00 H new ATOM 0 HA GLU A 53 -11.829 2.332 8.071 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -11.545 5.372 8.014 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -12.988 4.533 8.548 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -11.719 3.473 10.392 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -10.244 4.242 9.840 1.00 0.00 H new ATOM 844 N ASN A 54 -12.105 4.417 5.463 1.00 0.00 N ATOM 845 CA ASN A 54 -12.803 4.638 4.174 1.00 0.00 C ATOM 846 C ASN A 54 -12.567 3.472 3.192 1.00 0.00 C ATOM 847 O ASN A 54 -13.398 3.232 2.316 1.00 0.00 O ATOM 848 CB ASN A 54 -12.402 5.980 3.505 1.00 0.00 C ATOM 849 CG ASN A 54 -12.742 7.212 4.348 1.00 0.00 C ATOM 850 OD1 ASN A 54 -13.887 7.652 4.386 1.00 0.00 O ATOM 851 ND2 ASN A 54 -11.745 7.811 4.982 1.00 0.00 N ATOM 0 H ASN A 54 -11.442 5.154 5.703 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.865 4.687 4.413 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.330 5.971 3.306 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -12.904 6.060 2.541 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -11.919 8.660 5.519 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -10.803 7.423 4.933 1.00 0.00 H new ATOM 858 N PHE A 55 -11.437 2.741 3.352 1.00 0.00 N ATOM 859 CA PHE A 55 -11.188 1.522 2.568 1.00 0.00 C ATOM 860 C PHE A 55 -12.174 0.412 2.979 1.00 0.00 C ATOM 861 O PHE A 55 -12.834 -0.150 2.129 1.00 0.00 O ATOM 862 CB PHE A 55 -9.713 1.041 2.706 1.00 0.00 C ATOM 863 CG PHE A 55 -9.180 0.132 1.575 1.00 0.00 C ATOM 864 CD1 PHE A 55 -9.947 -0.181 0.446 1.00 0.00 C ATOM 865 CD2 PHE A 55 -7.894 -0.394 1.644 1.00 0.00 C ATOM 866 CE1 PHE A 55 -9.448 -0.986 -0.557 1.00 0.00 C ATOM 867 CE2 PHE A 55 -7.396 -1.199 0.634 1.00 0.00 C ATOM 868 CZ PHE A 55 -8.172 -1.495 -0.462 1.00 0.00 C ATOM 0 H PHE A 55 -10.695 2.977 4.011 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.351 1.759 1.517 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.071 1.920 2.770 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.615 0.505 3.650 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -10.948 0.215 0.359 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.274 -0.171 2.500 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -10.059 -1.217 -1.417 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.394 -1.596 0.707 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.781 -2.126 -1.247 1.00 0.00 H new ATOM 878 N MET A 56 -12.295 0.127 4.290 1.00 0.00 N ATOM 879 CA MET A 56 -13.153 -0.987 4.778 1.00 0.00 C ATOM 880 C MET A 56 -14.655 -0.645 4.702 1.00 0.00 C ATOM 881 O MET A 56 -15.494 -1.551 4.681 1.00 0.00 O ATOM 882 CB MET A 56 -12.750 -1.423 6.216 1.00 0.00 C ATOM 883 CG MET A 56 -12.962 -0.390 7.322 1.00 0.00 C ATOM 884 SD MET A 56 -12.539 -1.043 8.952 1.00 0.00 S ATOM 885 CE MET A 56 -13.662 -2.440 9.097 1.00 0.00 C ATOM 0 H MET A 56 -11.817 0.643 5.029 1.00 0.00 H new ATOM 0 HA MET A 56 -12.984 -1.831 4.109 1.00 0.00 H new ATOM 0 HB2 MET A 56 -13.315 -2.319 6.472 1.00 0.00 H new ATOM 0 HB3 MET A 56 -11.696 -1.702 6.206 1.00 0.00 H new ATOM 0 HG2 MET A 56 -12.354 0.491 7.116 1.00 0.00 H new ATOM 0 HG3 MET A 56 -14.003 -0.066 7.321 1.00 0.00 H new ATOM 0 HE1 MET A 56 -13.744 -2.734 10.143 1.00 0.00 H new ATOM 0 HE2 MET A 56 -14.645 -2.157 8.721 1.00 0.00 H new ATOM 0 HE3 MET A 56 -13.278 -3.277 8.514 1.00 0.00 H new ATOM 895 N GLU A 57 -14.979 0.662 4.644 1.00 0.00 N ATOM 896 CA GLU A 57 -16.368 1.156 4.578 1.00 0.00 C ATOM 897 C GLU A 57 -16.884 1.126 3.126 1.00 0.00 C ATOM 898 O GLU A 57 -17.937 0.544 2.849 1.00 0.00 O ATOM 899 CB GLU A 57 -16.460 2.590 5.180 1.00 0.00 C ATOM 900 CG GLU A 57 -16.080 2.668 6.673 1.00 0.00 C ATOM 901 CD GLU A 57 -16.105 4.094 7.252 1.00 0.00 C ATOM 902 OE1 GLU A 57 -15.231 4.908 6.882 1.00 0.00 O ATOM 903 OE2 GLU A 57 -17.006 4.415 8.057 1.00 0.00 O ATOM 0 H GLU A 57 -14.282 1.407 4.642 1.00 0.00 H new ATOM 0 HA GLU A 57 -17.004 0.499 5.171 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -15.806 3.253 4.614 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -17.477 2.961 5.054 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -16.766 2.043 7.245 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -15.082 2.251 6.806 1.00 0.00 H new ATOM 910 N ARG A 58 -16.117 1.739 2.200 1.00 0.00 N ATOM 911 CA ARG A 58 -16.496 1.828 0.766 1.00 0.00 C ATOM 912 C ARG A 58 -16.178 0.512 0.030 1.00 0.00 C ATOM 913 O ARG A 58 -16.792 0.203 -0.995 1.00 0.00 O ATOM 914 CB ARG A 58 -15.794 3.037 0.067 1.00 0.00 C ATOM 915 CG ARG A 58 -16.375 4.436 0.428 1.00 0.00 C ATOM 916 CD ARG A 58 -16.154 4.849 1.900 1.00 0.00 C ATOM 917 NE ARG A 58 -16.914 6.054 2.274 1.00 0.00 N ATOM 918 CZ ARG A 58 -16.981 6.577 3.509 1.00 0.00 C ATOM 919 NH1 ARG A 58 -16.293 6.054 4.516 1.00 0.00 N ATOM 920 NH2 ARG A 58 -17.749 7.629 3.725 1.00 0.00 N ATOM 0 H ARG A 58 -15.225 2.184 2.418 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.572 1.994 0.718 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.735 3.022 0.326 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.860 2.901 -1.012 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -15.920 5.185 -0.221 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -17.444 4.439 0.217 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -16.444 4.025 2.552 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -15.092 5.028 2.067 1.00 0.00 H new ATOM 0 HE ARG A 58 -17.431 6.530 1.535 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -15.699 5.240 4.359 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -16.358 6.467 5.447 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -18.284 8.036 2.958 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -17.808 8.035 4.659 1.00 0.00 H new ATOM 934 N PHE A 59 -15.196 -0.249 0.555 1.00 0.00 N ATOM 935 CA PHE A 59 -14.827 -1.588 0.042 1.00 0.00 C ATOM 936 C PHE A 59 -14.956 -2.616 1.187 1.00 0.00 C ATOM 937 O PHE A 59 -13.966 -2.917 1.879 1.00 0.00 O ATOM 938 CB PHE A 59 -13.378 -1.606 -0.532 1.00 0.00 C ATOM 939 CG PHE A 59 -13.118 -0.622 -1.673 1.00 0.00 C ATOM 940 CD1 PHE A 59 -12.873 0.732 -1.420 1.00 0.00 C ATOM 941 CD2 PHE A 59 -13.106 -1.054 -2.994 1.00 0.00 C ATOM 942 CE1 PHE A 59 -12.623 1.613 -2.450 1.00 0.00 C ATOM 943 CE2 PHE A 59 -12.857 -0.170 -4.018 1.00 0.00 C ATOM 944 CZ PHE A 59 -12.615 1.163 -3.750 1.00 0.00 C ATOM 0 H PHE A 59 -14.632 0.048 1.351 1.00 0.00 H new ATOM 0 HA PHE A 59 -15.503 -1.845 -0.773 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -12.681 -1.391 0.278 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -13.156 -2.613 -0.885 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -12.880 1.092 -0.402 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -13.294 -2.094 -3.219 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -12.434 2.655 -2.237 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -12.851 -0.521 -5.039 1.00 0.00 H new ATOM 0 HZ PHE A 59 -12.420 1.851 -4.559 1.00 0.00 H new ATOM 954 N PRO A 60 -16.187 -3.169 1.434 1.00 0.00 N ATOM 955 CA PRO A 60 -16.378 -4.268 2.403 1.00 0.00 C ATOM 956 C PRO A 60 -15.935 -5.630 1.816 1.00 0.00 C ATOM 957 O PRO A 60 -16.069 -6.667 2.464 1.00 0.00 O ATOM 958 CB PRO A 60 -17.896 -4.211 2.701 1.00 0.00 C ATOM 959 CG PRO A 60 -18.508 -3.701 1.432 1.00 0.00 C ATOM 960 CD PRO A 60 -17.482 -2.761 0.813 1.00 0.00 C ATOM 0 HA PRO A 60 -15.774 -4.162 3.304 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -18.286 -5.194 2.963 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -18.111 -3.549 3.540 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -18.742 -4.523 0.755 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -19.443 -3.178 1.633 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -17.453 -2.863 -0.272 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -17.716 -1.719 1.029 1.00 0.00 H new ATOM 968 N GLU A 61 -15.433 -5.602 0.569 1.00 0.00 N ATOM 969 CA GLU A 61 -14.731 -6.732 -0.053 1.00 0.00 C ATOM 970 C GLU A 61 -13.321 -6.897 0.551 1.00 0.00 C ATOM 971 O GLU A 61 -12.813 -8.008 0.641 1.00 0.00 O ATOM 972 CB GLU A 61 -14.632 -6.516 -1.585 1.00 0.00 C ATOM 973 CG GLU A 61 -13.928 -5.202 -2.002 1.00 0.00 C ATOM 974 CD GLU A 61 -13.764 -5.059 -3.519 1.00 0.00 C ATOM 975 OE1 GLU A 61 -14.691 -4.546 -4.182 1.00 0.00 O ATOM 976 OE2 GLU A 61 -12.715 -5.486 -4.061 1.00 0.00 O ATOM 0 H GLU A 61 -15.505 -4.786 -0.039 1.00 0.00 H new ATOM 0 HA GLU A 61 -15.298 -7.642 0.143 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -14.095 -7.357 -2.024 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -15.637 -6.525 -2.006 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -14.500 -4.355 -1.624 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.946 -5.159 -1.531 1.00 0.00 H new ATOM 983 N TYR A 62 -12.708 -5.771 0.961 1.00 0.00 N ATOM 984 CA TYR A 62 -11.314 -5.736 1.447 1.00 0.00 C ATOM 985 C TYR A 62 -11.229 -6.048 2.960 1.00 0.00 C ATOM 986 O TYR A 62 -10.221 -6.605 3.401 1.00 0.00 O ATOM 987 CB TYR A 62 -10.662 -4.343 1.101 1.00 0.00 C ATOM 988 CG TYR A 62 -9.863 -3.696 2.254 1.00 0.00 C ATOM 989 CD1 TYR A 62 -10.500 -2.848 3.161 1.00 0.00 C ATOM 990 CD2 TYR A 62 -8.501 -3.960 2.463 1.00 0.00 C ATOM 991 CE1 TYR A 62 -9.828 -2.290 4.219 1.00 0.00 C ATOM 992 CE2 TYR A 62 -7.824 -3.389 3.529 1.00 0.00 C ATOM 993 CZ TYR A 62 -8.502 -2.553 4.402 1.00 0.00 C ATOM 994 OH TYR A 62 -7.845 -1.971 5.456 1.00 0.00 O ATOM 0 H TYR A 62 -13.165 -4.859 0.965 1.00 0.00 H new ATOM 0 HA TYR A 62 -10.750 -6.517 0.938 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.999 -4.471 0.245 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -11.450 -3.655 0.794 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.548 -2.625 3.027 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.974 -4.616 1.785 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -10.349 -1.642 4.908 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -6.774 -3.594 3.679 1.00 0.00 H new ATOM 0 HH TYR A 62 -8.316 -2.178 6.290 1.00 0.00 H new ATOM 1004 N LYS A 63 -12.270 -5.639 3.732 1.00 0.00 N ATOM 1005 CA LYS A 63 -12.268 -5.652 5.234 1.00 0.00 C ATOM 1006 C LYS A 63 -11.722 -6.972 5.841 1.00 0.00 C ATOM 1007 O LYS A 63 -11.136 -6.976 6.931 1.00 0.00 O ATOM 1008 CB LYS A 63 -13.708 -5.411 5.761 1.00 0.00 C ATOM 1009 CG LYS A 63 -14.701 -6.514 5.331 1.00 0.00 C ATOM 1010 CD LYS A 63 -16.101 -6.401 5.959 1.00 0.00 C ATOM 1011 CE LYS A 63 -17.013 -7.559 5.500 1.00 0.00 C ATOM 1012 NZ LYS A 63 -16.387 -8.895 5.722 1.00 0.00 N ATOM 0 H LYS A 63 -13.142 -5.288 3.336 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.596 -4.853 5.547 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.686 -5.354 6.849 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.065 -4.447 5.399 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.802 -6.490 4.246 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.279 -7.485 5.590 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -16.017 -6.409 7.046 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.551 -5.448 5.682 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.959 -7.509 6.039 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.243 -7.440 4.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -17.128 -9.624 5.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.734 -9.107 4.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.862 -8.887 6.620 1.00 0.00 H new ATOM 1026 N ASP A 64 -11.950 -8.071 5.107 1.00 0.00 N ATOM 1027 CA ASP A 64 -11.520 -9.426 5.462 1.00 0.00 C ATOM 1028 C ASP A 64 -9.988 -9.515 5.518 1.00 0.00 C ATOM 1029 O ASP A 64 -9.312 -8.989 4.637 1.00 0.00 O ATOM 1030 CB ASP A 64 -12.096 -10.413 4.416 1.00 0.00 C ATOM 1031 CG ASP A 64 -13.637 -10.391 4.381 1.00 0.00 C ATOM 1032 OD1 ASP A 64 -14.219 -9.543 3.659 1.00 0.00 O ATOM 1033 OD2 ASP A 64 -14.277 -11.184 5.102 1.00 0.00 O ATOM 0 H ASP A 64 -12.455 -8.037 4.222 1.00 0.00 H new ATOM 0 HA ASP A 64 -11.894 -9.684 6.453 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.708 -10.161 3.429 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -11.754 -11.422 4.644 1.00 0.00 H new ATOM 1038 N VAL A 65 -9.458 -10.194 6.553 1.00 0.00 N ATOM 1039 CA VAL A 65 -8.001 -10.275 6.799 1.00 0.00 C ATOM 1040 C VAL A 65 -7.266 -10.953 5.621 1.00 0.00 C ATOM 1041 O VAL A 65 -6.134 -10.590 5.320 1.00 0.00 O ATOM 1042 CB VAL A 65 -7.673 -11.009 8.153 1.00 0.00 C ATOM 1043 CG1 VAL A 65 -6.145 -11.081 8.434 1.00 0.00 C ATOM 1044 CG2 VAL A 65 -8.409 -10.336 9.331 1.00 0.00 C ATOM 0 H VAL A 65 -10.020 -10.699 7.238 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.639 -9.250 6.882 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.029 -12.034 8.052 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.973 -11.596 9.379 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.652 -11.626 7.629 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.738 -10.072 8.492 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.168 -10.859 10.257 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.094 -9.295 9.410 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.485 -10.378 9.160 1.00 0.00 H new ATOM 1054 N GLU A 66 -7.949 -11.902 4.935 1.00 0.00 N ATOM 1055 CA GLU A 66 -7.408 -12.577 3.729 1.00 0.00 C ATOM 1056 C GLU A 66 -7.285 -11.616 2.524 1.00 0.00 C ATOM 1057 O GLU A 66 -6.544 -11.883 1.584 1.00 0.00 O ATOM 1058 CB GLU A 66 -8.269 -13.817 3.374 1.00 0.00 C ATOM 1059 CG GLU A 66 -8.107 -14.986 4.367 1.00 0.00 C ATOM 1060 CD GLU A 66 -9.063 -16.158 4.099 1.00 0.00 C ATOM 1061 OE1 GLU A 66 -8.707 -17.066 3.318 1.00 0.00 O ATOM 1062 OE2 GLU A 66 -10.181 -16.169 4.657 1.00 0.00 O ATOM 0 H GLU A 66 -8.882 -12.219 5.199 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.397 -12.910 3.964 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.318 -13.523 3.340 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.002 -14.160 2.375 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.080 -15.349 4.324 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.272 -14.617 5.379 1.00 0.00 H new ATOM 1069 N ARG A 67 -8.013 -10.505 2.560 1.00 0.00 N ATOM 1070 CA ARG A 67 -7.928 -9.443 1.530 1.00 0.00 C ATOM 1071 C ARG A 67 -6.980 -8.304 1.969 1.00 0.00 C ATOM 1072 O ARG A 67 -6.437 -7.572 1.133 1.00 0.00 O ATOM 1073 CB ARG A 67 -9.351 -8.918 1.255 1.00 0.00 C ATOM 1074 CG ARG A 67 -10.325 -9.995 0.718 1.00 0.00 C ATOM 1075 CD ARG A 67 -9.966 -10.457 -0.704 1.00 0.00 C ATOM 1076 NE ARG A 67 -10.106 -9.356 -1.680 1.00 0.00 N ATOM 1077 CZ ARG A 67 -9.145 -8.902 -2.503 1.00 0.00 C ATOM 1078 NH1 ARG A 67 -7.899 -9.374 -2.443 1.00 0.00 N ATOM 1079 NH2 ARG A 67 -9.428 -7.947 -3.372 1.00 0.00 N ATOM 0 H ARG A 67 -8.684 -10.303 3.301 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.508 -9.856 0.613 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.758 -8.501 2.176 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.294 -8.102 0.534 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.317 -10.854 1.389 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -11.340 -9.597 0.722 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.942 -10.831 -0.719 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.612 -11.286 -0.993 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.016 -8.898 -1.734 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.659 -10.095 -1.762 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.186 -9.014 -3.078 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.371 -7.559 -3.415 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.704 -7.598 -4.000 1.00 0.00 H new ATOM 1093 N VAL A 68 -6.797 -8.182 3.292 1.00 0.00 N ATOM 1094 CA VAL A 68 -5.875 -7.222 3.924 1.00 0.00 C ATOM 1095 C VAL A 68 -4.413 -7.680 3.734 1.00 0.00 C ATOM 1096 O VAL A 68 -3.512 -6.860 3.479 1.00 0.00 O ATOM 1097 CB VAL A 68 -6.216 -7.088 5.466 1.00 0.00 C ATOM 1098 CG1 VAL A 68 -5.106 -6.367 6.264 1.00 0.00 C ATOM 1099 CG2 VAL A 68 -7.578 -6.377 5.678 1.00 0.00 C ATOM 0 H VAL A 68 -7.296 -8.760 3.969 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.995 -6.248 3.449 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.283 -8.105 5.853 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.394 -6.304 7.313 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.174 -6.925 6.177 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.966 -5.362 5.866 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.786 -6.299 6.745 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.539 -5.379 5.242 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.368 -6.953 5.196 1.00 0.00 H new ATOM 1109 N LYS A 69 -4.204 -9.005 3.850 1.00 0.00 N ATOM 1110 CA LYS A 69 -2.866 -9.603 3.821 1.00 0.00 C ATOM 1111 C LYS A 69 -2.300 -9.610 2.399 1.00 0.00 C ATOM 1112 O LYS A 69 -1.192 -9.124 2.185 1.00 0.00 O ATOM 1113 CB LYS A 69 -2.861 -11.034 4.438 1.00 0.00 C ATOM 1114 CG LYS A 69 -3.779 -12.053 3.736 1.00 0.00 C ATOM 1115 CD LYS A 69 -3.830 -13.422 4.445 1.00 0.00 C ATOM 1116 CE LYS A 69 -2.485 -14.156 4.427 1.00 0.00 C ATOM 1117 NZ LYS A 69 -2.551 -15.467 5.116 1.00 0.00 N ATOM 0 H LYS A 69 -4.957 -9.683 3.966 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.216 -8.983 4.439 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.840 -11.416 4.421 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.157 -10.962 5.485 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.788 -11.644 3.680 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.435 -12.195 2.712 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.145 -13.278 5.478 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.584 -14.046 3.965 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.169 -14.306 3.395 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.728 -13.534 4.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.619 -15.926 5.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.827 -15.324 6.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.254 -16.072 4.645 1.00 0.00 H new ATOM 1131 N LYS A 70 -3.074 -10.116 1.409 1.00 0.00 N ATOM 1132 CA LYS A 70 -2.548 -10.291 0.045 1.00 0.00 C ATOM 1133 C LYS A 70 -3.551 -9.878 -1.040 1.00 0.00 C ATOM 1134 O LYS A 70 -4.767 -9.817 -0.820 1.00 0.00 O ATOM 1135 CB LYS A 70 -2.006 -11.749 -0.194 1.00 0.00 C ATOM 1136 CG LYS A 70 -2.990 -12.798 -0.771 1.00 0.00 C ATOM 1137 CD LYS A 70 -4.114 -13.196 0.201 1.00 0.00 C ATOM 1138 CE LYS A 70 -5.144 -14.143 -0.440 1.00 0.00 C ATOM 1139 NZ LYS A 70 -4.530 -15.417 -0.907 1.00 0.00 N ATOM 0 H LYS A 70 -4.045 -10.403 1.531 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.703 -9.608 -0.040 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.153 -11.683 -0.869 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.632 -12.128 0.757 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.435 -12.401 -1.684 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.431 -13.691 -1.051 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.678 -13.678 1.076 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.621 -12.297 0.551 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.929 -14.365 0.283 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.619 -13.641 -1.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.273 -16.048 -1.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.847 -15.216 -1.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.041 -15.878 -0.113 1.00 0.00 H new ATOM 1153 N PHE A 71 -2.970 -9.600 -2.210 1.00 0.00 N ATOM 1154 CA PHE A 71 -3.665 -9.257 -3.450 1.00 0.00 C ATOM 1155 C PHE A 71 -2.787 -9.730 -4.632 1.00 0.00 C ATOM 1156 O PHE A 71 -1.749 -10.376 -4.430 1.00 0.00 O ATOM 1157 CB PHE A 71 -3.937 -7.718 -3.510 1.00 0.00 C ATOM 1158 CG PHE A 71 -2.676 -6.851 -3.446 1.00 0.00 C ATOM 1159 CD1 PHE A 71 -1.964 -6.535 -4.603 1.00 0.00 C ATOM 1160 CD2 PHE A 71 -2.191 -6.372 -2.229 1.00 0.00 C ATOM 1161 CE1 PHE A 71 -0.818 -5.778 -4.549 1.00 0.00 C ATOM 1162 CE2 PHE A 71 -1.042 -5.616 -2.178 1.00 0.00 C ATOM 1163 CZ PHE A 71 -0.357 -5.320 -3.342 1.00 0.00 C ATOM 0 H PHE A 71 -1.956 -9.609 -2.322 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.635 -9.752 -3.501 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -4.473 -7.491 -4.432 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -4.594 -7.445 -2.684 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -2.320 -6.892 -5.558 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -2.723 -6.597 -1.316 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.281 -5.544 -5.457 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -0.675 -5.254 -1.229 1.00 0.00 H new ATOM 0 HZ PHE A 71 0.544 -4.726 -3.300 1.00 0.00 H new ATOM 1173 N THR A 72 -3.208 -9.405 -5.854 1.00 0.00 N ATOM 1174 CA THR A 72 -2.437 -9.658 -7.079 1.00 0.00 C ATOM 1175 C THR A 72 -2.532 -8.405 -7.975 1.00 0.00 C ATOM 1176 O THR A 72 -3.393 -7.547 -7.756 1.00 0.00 O ATOM 1177 CB THR A 72 -2.974 -10.929 -7.833 1.00 0.00 C ATOM 1178 OG1 THR A 72 -3.202 -12.001 -6.902 1.00 0.00 O ATOM 1179 CG2 THR A 72 -2.001 -11.422 -8.921 1.00 0.00 C ATOM 0 H THR A 72 -4.106 -8.952 -6.027 1.00 0.00 H new ATOM 0 HA THR A 72 -1.396 -9.855 -6.825 1.00 0.00 H new ATOM 0 HB THR A 72 -3.906 -10.635 -8.315 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.538 -12.786 -7.383 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.419 -12.301 -9.411 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.849 -10.633 -9.658 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.046 -11.681 -8.465 1.00 0.00 H new ATOM 1187 N GLU A 73 -1.643 -8.304 -8.976 1.00 0.00 N ATOM 1188 CA GLU A 73 -1.602 -7.168 -9.910 1.00 0.00 C ATOM 1189 C GLU A 73 -2.855 -7.120 -10.812 1.00 0.00 C ATOM 1190 O GLU A 73 -3.294 -6.041 -11.184 1.00 0.00 O ATOM 1191 CB GLU A 73 -0.304 -7.217 -10.767 1.00 0.00 C ATOM 1192 CG GLU A 73 -0.106 -8.529 -11.563 1.00 0.00 C ATOM 1193 CD GLU A 73 1.074 -8.486 -12.550 1.00 0.00 C ATOM 1194 OE1 GLU A 73 2.209 -8.214 -12.118 1.00 0.00 O ATOM 1195 OE2 GLU A 73 0.872 -8.734 -13.761 1.00 0.00 O ATOM 0 H GLU A 73 -0.930 -9.010 -9.161 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.596 -6.253 -9.318 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.315 -6.381 -11.467 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.554 -7.073 -10.111 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.049 -9.349 -10.861 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.020 -8.750 -12.114 1.00 0.00 H new ATOM 1202 N GLU A 74 -3.435 -8.305 -11.123 1.00 0.00 N ATOM 1203 CA GLU A 74 -4.617 -8.447 -12.018 1.00 0.00 C ATOM 1204 C GLU A 74 -5.813 -7.566 -11.572 1.00 0.00 C ATOM 1205 O GLU A 74 -6.435 -6.886 -12.396 1.00 0.00 O ATOM 1206 CB GLU A 74 -5.039 -9.942 -12.098 1.00 0.00 C ATOM 1207 CG GLU A 74 -5.213 -10.629 -10.730 1.00 0.00 C ATOM 1208 CD GLU A 74 -5.700 -12.082 -10.834 1.00 0.00 C ATOM 1209 OE1 GLU A 74 -4.883 -12.964 -11.181 1.00 0.00 O ATOM 1210 OE2 GLU A 74 -6.892 -12.350 -10.570 1.00 0.00 O ATOM 0 H GLU A 74 -3.096 -9.196 -10.760 1.00 0.00 H new ATOM 0 HA GLU A 74 -4.323 -8.095 -13.007 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -5.977 -10.013 -12.648 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -4.290 -10.488 -12.672 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.262 -10.610 -10.199 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.923 -10.058 -10.133 1.00 0.00 H new ATOM 1217 N GLU A 75 -6.077 -7.549 -10.252 1.00 0.00 N ATOM 1218 CA GLU A 75 -7.216 -6.810 -9.650 1.00 0.00 C ATOM 1219 C GLU A 75 -6.869 -5.316 -9.426 1.00 0.00 C ATOM 1220 O GLU A 75 -7.682 -4.558 -8.887 1.00 0.00 O ATOM 1221 CB GLU A 75 -7.610 -7.495 -8.314 1.00 0.00 C ATOM 1222 CG GLU A 75 -6.535 -7.368 -7.208 1.00 0.00 C ATOM 1223 CD GLU A 75 -6.574 -8.506 -6.189 1.00 0.00 C ATOM 1224 OE1 GLU A 75 -6.081 -9.606 -6.517 1.00 0.00 O ATOM 1225 OE2 GLU A 75 -7.072 -8.317 -5.059 1.00 0.00 O ATOM 0 H GLU A 75 -5.509 -8.047 -9.567 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.061 -6.839 -10.338 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.542 -7.059 -7.954 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.803 -8.551 -8.501 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.549 -7.339 -7.672 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.670 -6.420 -6.688 1.00 0.00 H new ATOM 1232 N LEU A 76 -5.640 -4.925 -9.813 1.00 0.00 N ATOM 1233 CA LEU A 76 -5.171 -3.528 -9.799 1.00 0.00 C ATOM 1234 C LEU A 76 -5.149 -2.971 -11.233 1.00 0.00 C ATOM 1235 O LEU A 76 -5.249 -1.761 -11.426 1.00 0.00 O ATOM 1236 CB LEU A 76 -3.742 -3.445 -9.208 1.00 0.00 C ATOM 1237 CG LEU A 76 -3.513 -4.133 -7.832 1.00 0.00 C ATOM 1238 CD1 LEU A 76 -2.028 -4.056 -7.445 1.00 0.00 C ATOM 1239 CD2 LEU A 76 -4.421 -3.538 -6.734 1.00 0.00 C ATOM 0 H LEU A 76 -4.935 -5.581 -10.149 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.852 -2.942 -9.182 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.051 -3.884 -9.927 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.475 -2.393 -9.111 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.790 -5.183 -7.926 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.878 -4.540 -6.480 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.428 -4.561 -8.202 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.723 -3.012 -7.378 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.230 -4.046 -5.789 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.209 -2.474 -6.624 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.466 -3.673 -7.013 1.00 0.00 H new ATOM 1251 N LYS A 77 -5.012 -3.878 -12.226 1.00 0.00 N ATOM 1252 CA LYS A 77 -4.828 -3.518 -13.645 1.00 0.00 C ATOM 1253 C LYS A 77 -6.158 -3.457 -14.415 1.00 0.00 C ATOM 1254 O LYS A 77 -6.259 -2.712 -15.393 1.00 0.00 O ATOM 1255 CB LYS A 77 -3.865 -4.510 -14.331 1.00 0.00 C ATOM 1256 CG LYS A 77 -2.439 -4.476 -13.744 1.00 0.00 C ATOM 1257 CD LYS A 77 -1.445 -5.263 -14.604 1.00 0.00 C ATOM 1258 CE LYS A 77 -0.016 -5.206 -14.047 1.00 0.00 C ATOM 1259 NZ LYS A 77 0.928 -6.018 -14.855 1.00 0.00 N ATOM 0 H LYS A 77 -5.026 -4.885 -12.062 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.396 -2.517 -13.665 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -4.266 -5.519 -14.237 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.818 -4.283 -15.396 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.106 -3.441 -13.660 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.452 -4.889 -12.735 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.766 -6.303 -14.666 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.453 -4.865 -15.619 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.324 -4.170 -14.025 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.013 -5.564 -13.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.903 -5.712 -14.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.824 -7.022 -14.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.720 -5.889 -15.866 1.00 0.00 H new ATOM 1273 N THR A 78 -7.169 -4.243 -13.977 1.00 0.00 N ATOM 1274 CA THR A 78 -8.476 -4.335 -14.679 1.00 0.00 C ATOM 1275 C THR A 78 -9.219 -2.977 -14.696 1.00 0.00 C ATOM 1276 O THR A 78 -8.884 -2.074 -13.922 1.00 0.00 O ATOM 1277 CB THR A 78 -9.388 -5.461 -14.059 1.00 0.00 C ATOM 1278 OG1 THR A 78 -10.556 -5.662 -14.881 1.00 0.00 O ATOM 1279 CG2 THR A 78 -9.822 -5.147 -12.617 1.00 0.00 C ATOM 0 H THR A 78 -7.107 -4.824 -13.141 1.00 0.00 H new ATOM 0 HA THR A 78 -8.259 -4.607 -15.712 1.00 0.00 H new ATOM 0 HB THR A 78 -8.789 -6.371 -14.029 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.320 -5.893 -14.313 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.448 -5.956 -12.241 1.00 0.00 H new ATOM 0 HG22 THR A 78 -8.940 -5.047 -11.985 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.387 -4.215 -12.602 1.00 0.00 H new ATOM 1287 N LYS A 79 -10.223 -2.844 -15.589 1.00 0.00 N ATOM 1288 CA LYS A 79 -11.011 -1.599 -15.744 1.00 0.00 C ATOM 1289 C LYS A 79 -11.699 -1.207 -14.426 1.00 0.00 C ATOM 1290 O LYS A 79 -11.633 -0.043 -14.008 1.00 0.00 O ATOM 1291 CB LYS A 79 -12.068 -1.747 -16.878 1.00 0.00 C ATOM 1292 CG LYS A 79 -13.150 -0.637 -16.877 1.00 0.00 C ATOM 1293 CD LYS A 79 -14.124 -0.685 -18.076 1.00 0.00 C ATOM 1294 CE LYS A 79 -15.384 0.173 -17.824 1.00 0.00 C ATOM 1295 NZ LYS A 79 -15.064 1.535 -17.331 1.00 0.00 N ATOM 0 H LYS A 79 -10.510 -3.592 -16.221 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.317 -0.804 -16.017 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -11.557 -1.742 -17.841 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -12.556 -2.717 -16.782 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -13.726 -0.711 -15.955 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.655 0.334 -16.867 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.615 -0.330 -18.972 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.419 -1.717 -18.264 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.955 0.251 -18.749 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -16.021 -0.331 -17.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.932 1.993 -16.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.376 1.470 -16.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.658 2.098 -18.106 1.00 0.00 H new ATOM 1309 N GLU A 80 -12.316 -2.208 -13.774 1.00 0.00 N ATOM 1310 CA GLU A 80 -13.056 -2.015 -12.511 1.00 0.00 C ATOM 1311 C GLU A 80 -12.125 -1.461 -11.429 1.00 0.00 C ATOM 1312 O GLU A 80 -12.554 -0.693 -10.571 1.00 0.00 O ATOM 1313 CB GLU A 80 -13.700 -3.335 -12.007 1.00 0.00 C ATOM 1314 CG GLU A 80 -14.595 -4.083 -13.029 1.00 0.00 C ATOM 1315 CD GLU A 80 -13.800 -4.985 -14.004 1.00 0.00 C ATOM 1316 OE1 GLU A 80 -13.428 -6.110 -13.607 1.00 0.00 O ATOM 1317 OE2 GLU A 80 -13.524 -4.572 -15.151 1.00 0.00 O ATOM 0 H GLU A 80 -12.317 -3.173 -14.106 1.00 0.00 H new ATOM 0 HA GLU A 80 -13.856 -1.302 -12.713 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -12.903 -4.008 -11.690 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -14.299 -3.111 -11.124 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -15.317 -4.695 -12.488 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -15.164 -3.353 -13.604 1.00 0.00 H new ATOM 1324 N ALA A 81 -10.840 -1.862 -11.513 1.00 0.00 N ATOM 1325 CA ALA A 81 -9.784 -1.400 -10.611 1.00 0.00 C ATOM 1326 C ALA A 81 -9.467 0.080 -10.848 1.00 0.00 C ATOM 1327 O ALA A 81 -9.443 0.857 -9.901 1.00 0.00 O ATOM 1328 CB ALA A 81 -8.527 -2.243 -10.782 1.00 0.00 C ATOM 0 H ALA A 81 -10.511 -2.522 -12.218 1.00 0.00 H new ATOM 0 HA ALA A 81 -10.144 -1.512 -9.588 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.753 -1.884 -10.103 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.754 -3.285 -10.556 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.173 -2.164 -11.810 1.00 0.00 H new ATOM 1334 N LYS A 82 -9.253 0.456 -12.126 1.00 0.00 N ATOM 1335 CA LYS A 82 -8.920 1.852 -12.521 1.00 0.00 C ATOM 1336 C LYS A 82 -9.963 2.831 -11.948 1.00 0.00 C ATOM 1337 O LYS A 82 -9.621 3.845 -11.327 1.00 0.00 O ATOM 1338 CB LYS A 82 -8.873 1.987 -14.071 1.00 0.00 C ATOM 1339 CG LYS A 82 -8.000 0.958 -14.846 1.00 0.00 C ATOM 1340 CD LYS A 82 -6.460 1.126 -14.684 1.00 0.00 C ATOM 1341 CE LYS A 82 -5.892 0.525 -13.384 1.00 0.00 C ATOM 1342 NZ LYS A 82 -4.415 0.604 -13.330 1.00 0.00 N ATOM 0 H LYS A 82 -9.304 -0.191 -12.913 1.00 0.00 H new ATOM 0 HA LYS A 82 -7.938 2.096 -12.116 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -9.893 1.917 -14.448 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.512 2.987 -14.313 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.275 -0.045 -14.518 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -8.245 1.025 -15.906 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.963 0.659 -15.534 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -6.216 2.188 -14.717 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -6.314 1.051 -12.528 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.202 -0.517 -13.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.054 -0.097 -12.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -4.022 0.408 -14.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.129 1.557 -13.027 1.00 0.00 H new ATOM 1356 N GLU A 83 -11.232 2.435 -12.121 1.00 0.00 N ATOM 1357 CA GLU A 83 -12.410 3.164 -11.642 1.00 0.00 C ATOM 1358 C GLU A 83 -12.416 3.283 -10.114 1.00 0.00 C ATOM 1359 O GLU A 83 -12.351 4.382 -9.586 1.00 0.00 O ATOM 1360 CB GLU A 83 -13.685 2.434 -12.136 1.00 0.00 C ATOM 1361 CG GLU A 83 -13.848 2.441 -13.666 1.00 0.00 C ATOM 1362 CD GLU A 83 -15.072 1.653 -14.156 1.00 0.00 C ATOM 1363 OE1 GLU A 83 -15.023 0.408 -14.157 1.00 0.00 O ATOM 1364 OE2 GLU A 83 -16.077 2.277 -14.563 1.00 0.00 O ATOM 0 H GLU A 83 -11.472 1.574 -12.612 1.00 0.00 H new ATOM 0 HA GLU A 83 -12.384 4.178 -12.042 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.660 1.402 -11.787 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.559 2.902 -11.684 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.928 3.472 -14.010 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.950 2.022 -14.121 1.00 0.00 H new ATOM 1371 N ARG A 84 -12.435 2.136 -9.418 1.00 0.00 N ATOM 1372 CA ARG A 84 -12.617 2.093 -7.948 1.00 0.00 C ATOM 1373 C ARG A 84 -11.463 2.791 -7.203 1.00 0.00 C ATOM 1374 O ARG A 84 -11.694 3.427 -6.176 1.00 0.00 O ATOM 1375 CB ARG A 84 -12.763 0.633 -7.464 1.00 0.00 C ATOM 1376 CG ARG A 84 -11.490 -0.221 -7.640 1.00 0.00 C ATOM 1377 CD ARG A 84 -11.688 -1.694 -7.257 1.00 0.00 C ATOM 1378 NE ARG A 84 -12.808 -2.294 -7.996 1.00 0.00 N ATOM 1379 CZ ARG A 84 -13.494 -3.376 -7.616 1.00 0.00 C ATOM 1380 NH1 ARG A 84 -13.135 -4.069 -6.547 1.00 0.00 N ATOM 1381 NH2 ARG A 84 -14.532 -3.766 -8.327 1.00 0.00 N ATOM 0 H ARG A 84 -12.326 1.217 -9.848 1.00 0.00 H new ATOM 0 HA ARG A 84 -13.532 2.638 -7.718 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -13.041 0.637 -6.410 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -13.582 0.162 -8.008 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -11.163 -0.164 -8.678 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -10.691 0.201 -7.031 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -10.774 -2.251 -7.463 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -11.874 -1.771 -6.186 1.00 0.00 H new ATOM 0 HE ARG A 84 -13.084 -1.848 -8.871 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -12.324 -3.779 -6.000 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -13.669 -4.893 -6.270 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -14.806 -3.243 -9.159 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -15.062 -4.591 -8.045 1.00 0.00 H new ATOM 1395 N TRP A 85 -10.228 2.678 -7.746 1.00 0.00 N ATOM 1396 CA TRP A 85 -9.036 3.334 -7.175 1.00 0.00 C ATOM 1397 C TRP A 85 -9.105 4.843 -7.385 1.00 0.00 C ATOM 1398 O TRP A 85 -8.584 5.593 -6.568 1.00 0.00 O ATOM 1399 CB TRP A 85 -7.708 2.769 -7.757 1.00 0.00 C ATOM 1400 CG TRP A 85 -7.415 1.322 -7.390 1.00 0.00 C ATOM 1401 CD1 TRP A 85 -7.017 0.320 -8.239 1.00 0.00 C ATOM 1402 CD2 TRP A 85 -7.474 0.723 -6.079 1.00 0.00 C ATOM 1403 NE1 TRP A 85 -6.860 -0.851 -7.553 1.00 0.00 N ATOM 1404 CE2 TRP A 85 -7.124 -0.629 -6.228 1.00 0.00 C ATOM 1405 CE3 TRP A 85 -7.795 1.195 -4.796 1.00 0.00 C ATOM 1406 CZ2 TRP A 85 -7.086 -1.509 -5.155 1.00 0.00 C ATOM 1407 CZ3 TRP A 85 -7.753 0.320 -3.731 1.00 0.00 C ATOM 1408 CH2 TRP A 85 -7.403 -1.021 -3.918 1.00 0.00 C ATOM 0 H TRP A 85 -10.034 2.133 -8.586 1.00 0.00 H new ATOM 0 HA TRP A 85 -9.036 3.118 -6.107 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -7.738 2.855 -8.843 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -6.882 3.391 -7.411 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -6.851 0.440 -9.299 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -6.590 -1.746 -7.962 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -8.071 2.228 -4.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -6.815 -2.545 -5.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -7.993 0.675 -2.740 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -7.383 -1.685 -3.067 1.00 0.00 H new ATOM 1419 N ARG A 86 -9.752 5.268 -8.487 1.00 0.00 N ATOM 1420 CA ARG A 86 -10.017 6.688 -8.755 1.00 0.00 C ATOM 1421 C ARG A 86 -10.998 7.250 -7.712 1.00 0.00 C ATOM 1422 O ARG A 86 -10.688 8.238 -7.054 1.00 0.00 O ATOM 1423 CB ARG A 86 -10.546 6.904 -10.195 1.00 0.00 C ATOM 1424 CG ARG A 86 -10.827 8.380 -10.537 1.00 0.00 C ATOM 1425 CD ARG A 86 -11.219 8.603 -12.003 1.00 0.00 C ATOM 1426 NE ARG A 86 -11.368 10.045 -12.297 1.00 0.00 N ATOM 1427 CZ ARG A 86 -10.951 10.662 -13.412 1.00 0.00 C ATOM 1428 NH1 ARG A 86 -10.332 9.993 -14.374 1.00 0.00 N ATOM 1429 NH2 ARG A 86 -11.148 11.959 -13.557 1.00 0.00 N ATOM 0 H ARG A 86 -10.102 4.639 -9.210 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.076 7.232 -8.674 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.818 6.508 -10.903 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.463 6.329 -10.326 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.627 8.748 -9.895 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.940 8.972 -10.312 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.460 8.171 -12.656 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -12.155 8.086 -12.216 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.828 10.620 -11.591 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.166 8.992 -14.273 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -10.022 10.479 -15.215 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -11.616 12.489 -12.822 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.832 12.431 -14.404 1.00 0.00 H new ATOM 1443 N LYS A 87 -12.154 6.566 -7.542 1.00 0.00 N ATOM 1444 CA LYS A 87 -13.171 6.918 -6.512 1.00 0.00 C ATOM 1445 C LYS A 87 -12.548 6.914 -5.099 1.00 0.00 C ATOM 1446 O LYS A 87 -12.957 7.688 -4.226 1.00 0.00 O ATOM 1447 CB LYS A 87 -14.389 5.936 -6.547 1.00 0.00 C ATOM 1448 CG LYS A 87 -15.437 6.196 -7.659 1.00 0.00 C ATOM 1449 CD LYS A 87 -14.904 5.960 -9.087 1.00 0.00 C ATOM 1450 CE LYS A 87 -15.954 6.238 -10.169 1.00 0.00 C ATOM 1451 NZ LYS A 87 -16.457 7.637 -10.114 1.00 0.00 N ATOM 0 H LYS A 87 -12.411 5.758 -8.110 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.528 7.921 -6.745 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.009 4.921 -6.663 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.894 5.979 -5.582 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.298 5.549 -7.492 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.790 7.224 -7.579 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.037 6.599 -9.256 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.562 4.929 -9.176 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.521 6.047 -11.151 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.789 5.548 -10.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.032 7.832 -10.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.039 7.763 -9.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.652 8.295 -10.084 1.00 0.00 H new ATOM 1465 N PHE A 88 -11.548 6.044 -4.915 1.00 0.00 N ATOM 1466 CA PHE A 88 -10.863 5.860 -3.642 1.00 0.00 C ATOM 1467 C PHE A 88 -9.884 7.023 -3.367 1.00 0.00 C ATOM 1468 O PHE A 88 -9.920 7.605 -2.283 1.00 0.00 O ATOM 1469 CB PHE A 88 -10.138 4.490 -3.640 1.00 0.00 C ATOM 1470 CG PHE A 88 -9.580 4.062 -2.292 1.00 0.00 C ATOM 1471 CD1 PHE A 88 -10.391 4.064 -1.158 1.00 0.00 C ATOM 1472 CD2 PHE A 88 -8.263 3.637 -2.158 1.00 0.00 C ATOM 1473 CE1 PHE A 88 -9.898 3.664 0.056 1.00 0.00 C ATOM 1474 CE2 PHE A 88 -7.772 3.238 -0.937 1.00 0.00 C ATOM 1475 CZ PHE A 88 -8.585 3.253 0.170 1.00 0.00 C ATOM 0 H PHE A 88 -11.192 5.443 -5.659 1.00 0.00 H new ATOM 0 HA PHE A 88 -11.596 5.866 -2.836 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.834 3.727 -3.987 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -9.320 4.527 -4.360 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -11.419 4.384 -1.237 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.617 3.620 -3.024 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.538 3.670 0.926 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -6.746 2.912 -0.848 1.00 0.00 H new ATOM 0 HZ PHE A 88 -8.197 2.943 1.129 1.00 0.00 H new ATOM 1485 N PHE A 89 -9.041 7.398 -4.366 1.00 0.00 N ATOM 1486 CA PHE A 89 -8.011 8.432 -4.160 1.00 0.00 C ATOM 1487 C PHE A 89 -8.627 9.838 -4.186 1.00 0.00 C ATOM 1488 O PHE A 89 -8.028 10.767 -3.668 1.00 0.00 O ATOM 1489 CB PHE A 89 -6.796 8.290 -5.148 1.00 0.00 C ATOM 1490 CG PHE A 89 -6.988 8.587 -6.662 1.00 0.00 C ATOM 1491 CD1 PHE A 89 -7.532 9.792 -7.127 1.00 0.00 C ATOM 1492 CD2 PHE A 89 -6.553 7.673 -7.625 1.00 0.00 C ATOM 1493 CE1 PHE A 89 -7.648 10.058 -8.476 1.00 0.00 C ATOM 1494 CE2 PHE A 89 -6.664 7.947 -8.979 1.00 0.00 C ATOM 1495 CZ PHE A 89 -7.212 9.136 -9.403 1.00 0.00 C ATOM 0 H PHE A 89 -9.059 7.002 -5.306 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.596 8.275 -3.164 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.005 8.947 -4.786 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.426 7.268 -5.062 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.868 10.529 -6.413 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.122 6.735 -7.308 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -8.081 10.991 -8.806 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.319 7.225 -9.704 1.00 0.00 H new ATOM 0 HZ PHE A 89 -7.300 9.346 -10.459 1.00 0.00 H new ATOM 1505 N THR A 90 -9.814 9.987 -4.819 1.00 0.00 N ATOM 1506 CA THR A 90 -10.552 11.272 -4.840 1.00 0.00 C ATOM 1507 C THR A 90 -11.115 11.623 -3.444 1.00 0.00 C ATOM 1508 O THR A 90 -11.473 12.776 -3.188 1.00 0.00 O ATOM 1509 CB THR A 90 -11.694 11.286 -5.905 1.00 0.00 C ATOM 1510 OG1 THR A 90 -12.522 10.125 -5.751 1.00 0.00 O ATOM 1511 CG2 THR A 90 -11.145 11.360 -7.352 1.00 0.00 C ATOM 0 H THR A 90 -10.281 9.233 -5.322 1.00 0.00 H new ATOM 0 HA THR A 90 -9.829 12.036 -5.125 1.00 0.00 H new ATOM 0 HB THR A 90 -12.287 12.185 -5.736 1.00 0.00 H new ATOM 0 HG1 THR A 90 -12.078 9.350 -6.155 1.00 0.00 H new ATOM 0 HG21 THR A 90 -11.977 11.367 -8.057 1.00 0.00 H new ATOM 0 HG22 THR A 90 -10.559 12.271 -7.473 1.00 0.00 H new ATOM 0 HG23 THR A 90 -10.513 10.494 -7.546 1.00 0.00 H new ATOM 1519 N ILE A 91 -11.203 10.616 -2.554 1.00 0.00 N ATOM 1520 CA ILE A 91 -11.483 10.844 -1.124 1.00 0.00 C ATOM 1521 C ILE A 91 -10.247 11.503 -0.472 1.00 0.00 C ATOM 1522 O ILE A 91 -10.364 12.447 0.320 1.00 0.00 O ATOM 1523 CB ILE A 91 -11.841 9.493 -0.378 1.00 0.00 C ATOM 1524 CG1 ILE A 91 -13.075 8.801 -1.048 1.00 0.00 C ATOM 1525 CG2 ILE A 91 -12.087 9.716 1.142 1.00 0.00 C ATOM 1526 CD1 ILE A 91 -13.470 7.453 -0.443 1.00 0.00 C ATOM 0 H ILE A 91 -11.084 9.634 -2.802 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.348 11.502 -1.037 1.00 0.00 H new ATOM 0 HB ILE A 91 -10.980 8.831 -0.471 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -13.929 9.475 -0.984 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -12.861 8.658 -2.107 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -12.329 8.764 1.615 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -11.188 10.130 1.599 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -12.916 10.410 1.278 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -14.334 7.055 -0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -12.637 6.756 -0.532 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -13.721 7.586 0.609 1.00 0.00 H new ATOM 1538 N PHE A 92 -9.057 11.013 -0.869 1.00 0.00 N ATOM 1539 CA PHE A 92 -7.775 11.333 -0.210 1.00 0.00 C ATOM 1540 C PHE A 92 -6.938 12.360 -0.977 1.00 0.00 C ATOM 1541 O PHE A 92 -5.865 12.707 -0.524 1.00 0.00 O ATOM 1542 CB PHE A 92 -6.963 10.043 0.013 1.00 0.00 C ATOM 1543 CG PHE A 92 -7.726 8.983 0.793 1.00 0.00 C ATOM 1544 CD1 PHE A 92 -8.105 9.195 2.120 1.00 0.00 C ATOM 1545 CD2 PHE A 92 -8.087 7.789 0.194 1.00 0.00 C ATOM 1546 CE1 PHE A 92 -8.821 8.237 2.809 1.00 0.00 C ATOM 1547 CE2 PHE A 92 -8.794 6.840 0.882 1.00 0.00 C ATOM 1548 CZ PHE A 92 -9.167 7.060 2.187 1.00 0.00 C ATOM 0 H PHE A 92 -8.957 10.379 -1.662 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.021 11.791 0.748 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.671 9.633 -0.954 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.044 10.287 0.547 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -7.835 10.118 2.612 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.807 7.603 -0.832 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -9.109 8.411 3.835 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -9.060 5.913 0.397 1.00 0.00 H new ATOM 0 HZ PHE A 92 -9.730 6.310 2.723 1.00 0.00 H new ATOM 1558 N GLU A 93 -7.430 12.863 -2.116 1.00 0.00 N ATOM 1559 CA GLU A 93 -6.699 13.872 -2.928 1.00 0.00 C ATOM 1560 C GLU A 93 -6.519 15.199 -2.143 1.00 0.00 C ATOM 1561 O GLU A 93 -5.598 15.980 -2.412 1.00 0.00 O ATOM 1562 CB GLU A 93 -7.452 14.140 -4.259 1.00 0.00 C ATOM 1563 CG GLU A 93 -8.906 14.609 -4.067 1.00 0.00 C ATOM 1564 CD GLU A 93 -9.517 15.240 -5.325 1.00 0.00 C ATOM 1565 OE1 GLU A 93 -9.261 16.440 -5.582 1.00 0.00 O ATOM 1566 OE2 GLU A 93 -10.244 14.546 -6.071 1.00 0.00 O ATOM 0 H GLU A 93 -8.333 12.593 -2.506 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.710 13.471 -3.151 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.909 14.895 -4.827 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.450 13.228 -4.857 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.517 13.759 -3.764 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.941 15.333 -3.253 1.00 0.00 H new ATOM 1573 N LYS A 94 -7.415 15.412 -1.157 1.00 0.00 N ATOM 1574 CA LYS A 94 -7.468 16.633 -0.342 1.00 0.00 C ATOM 1575 C LYS A 94 -6.427 16.583 0.799 1.00 0.00 C ATOM 1576 O LYS A 94 -5.923 17.625 1.232 1.00 0.00 O ATOM 1577 CB LYS A 94 -8.904 16.804 0.241 1.00 0.00 C ATOM 1578 CG LYS A 94 -10.057 16.582 -0.781 1.00 0.00 C ATOM 1579 CD LYS A 94 -9.989 17.525 -2.012 1.00 0.00 C ATOM 1580 CE LYS A 94 -10.268 18.997 -1.672 1.00 0.00 C ATOM 1581 NZ LYS A 94 -10.042 19.881 -2.837 1.00 0.00 N ATOM 0 H LYS A 94 -8.129 14.729 -0.905 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.228 17.488 -0.974 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.031 16.104 1.067 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.995 17.808 0.657 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.032 15.548 -1.125 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -11.012 16.727 -0.276 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -9.001 17.446 -2.466 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.710 17.189 -2.757 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.297 19.102 -1.330 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.625 19.308 -0.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.240 20.866 -2.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.053 19.799 -3.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -10.674 19.600 -3.614 1.00 0.00 H new ATOM 1595 N LYS A 95 -6.107 15.364 1.269 1.00 0.00 N ATOM 1596 CA LYS A 95 -5.229 15.151 2.444 1.00 0.00 C ATOM 1597 C LYS A 95 -3.928 14.440 2.035 1.00 0.00 C ATOM 1598 O LYS A 95 -2.841 14.916 2.354 1.00 0.00 O ATOM 1599 CB LYS A 95 -5.965 14.389 3.607 1.00 0.00 C ATOM 1600 CG LYS A 95 -6.786 13.129 3.226 1.00 0.00 C ATOM 1601 CD LYS A 95 -8.159 13.471 2.595 1.00 0.00 C ATOM 1602 CE LYS A 95 -9.063 14.292 3.522 1.00 0.00 C ATOM 1603 NZ LYS A 95 -9.534 13.506 4.681 1.00 0.00 N ATOM 0 H LYS A 95 -6.446 14.498 0.850 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.967 16.134 2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -5.217 14.094 4.343 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.636 15.093 4.099 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.210 12.525 2.525 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -6.943 12.521 4.117 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -7.998 14.026 1.670 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -8.669 12.546 2.327 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -8.519 15.167 3.876 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -9.922 14.657 2.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -10.520 13.760 4.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -9.478 12.492 4.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -8.936 13.713 5.507 1.00 0.00 H new ATOM 1617 N ILE A 96 -4.040 13.296 1.342 1.00 0.00 N ATOM 1618 CA ILE A 96 -2.880 12.586 0.778 1.00 0.00 C ATOM 1619 C ILE A 96 -2.579 13.143 -0.623 1.00 0.00 C ATOM 1620 O ILE A 96 -3.184 12.727 -1.616 1.00 0.00 O ATOM 1621 CB ILE A 96 -3.090 11.025 0.687 1.00 0.00 C ATOM 1622 CG1 ILE A 96 -3.695 10.439 2.003 1.00 0.00 C ATOM 1623 CG2 ILE A 96 -1.760 10.316 0.327 1.00 0.00 C ATOM 1624 CD1 ILE A 96 -2.968 10.831 3.277 1.00 0.00 C ATOM 0 H ILE A 96 -4.933 12.838 1.157 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.042 12.753 1.455 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.811 10.838 -0.109 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -4.733 10.761 2.082 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -3.703 9.352 1.928 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.925 9.240 0.269 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.402 10.681 -0.636 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.015 10.528 1.094 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.464 10.375 4.134 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.936 10.484 3.228 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.982 11.916 3.385 1.00 0.00 H new ATOM 1636 N GLU A 97 -1.674 14.117 -0.674 1.00 0.00 N ATOM 1637 CA GLU A 97 -1.212 14.737 -1.933 1.00 0.00 C ATOM 1638 C GLU A 97 -0.191 13.829 -2.653 1.00 0.00 C ATOM 1639 O GLU A 97 0.058 13.972 -3.853 1.00 0.00 O ATOM 1640 CB GLU A 97 -0.593 16.112 -1.609 1.00 0.00 C ATOM 1641 CG GLU A 97 -1.549 17.059 -0.866 1.00 0.00 C ATOM 1642 CD GLU A 97 -0.886 18.386 -0.475 1.00 0.00 C ATOM 1643 OE1 GLU A 97 -0.259 18.450 0.604 1.00 0.00 O ATOM 1644 OE2 GLU A 97 -0.971 19.366 -1.251 1.00 0.00 O ATOM 0 H GLU A 97 -1.232 14.508 0.158 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.059 14.868 -2.606 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.302 15.965 -1.004 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.275 16.586 -2.538 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.415 17.262 -1.497 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -1.918 16.564 0.032 1.00 0.00 H new ATOM 1651 N ASP A 98 0.365 12.871 -1.889 1.00 0.00 N ATOM 1652 CA ASP A 98 1.408 11.928 -2.348 1.00 0.00 C ATOM 1653 C ASP A 98 0.809 10.706 -3.077 1.00 0.00 C ATOM 1654 O ASP A 98 1.552 9.802 -3.483 1.00 0.00 O ATOM 1655 CB ASP A 98 2.210 11.446 -1.112 1.00 0.00 C ATOM 1656 CG ASP A 98 2.786 12.607 -0.281 1.00 0.00 C ATOM 1657 OD1 ASP A 98 3.907 13.069 -0.573 1.00 0.00 O ATOM 1658 OD2 ASP A 98 2.096 13.071 0.660 1.00 0.00 O ATOM 0 H ASP A 98 0.098 12.726 -0.915 1.00 0.00 H new ATOM 0 HA ASP A 98 2.051 12.448 -3.058 1.00 0.00 H new ATOM 0 HB2 ASP A 98 1.562 10.839 -0.479 1.00 0.00 H new ATOM 0 HB3 ASP A 98 3.026 10.803 -1.443 1.00 0.00 H new ATOM 1663 N TYR A 99 -0.522 10.718 -3.262 1.00 0.00 N ATOM 1664 CA TYR A 99 -1.313 9.555 -3.710 1.00 0.00 C ATOM 1665 C TYR A 99 -0.847 8.982 -5.070 1.00 0.00 C ATOM 1666 O TYR A 99 -0.790 7.759 -5.244 1.00 0.00 O ATOM 1667 CB TYR A 99 -2.824 9.926 -3.739 1.00 0.00 C ATOM 1668 CG TYR A 99 -3.266 10.937 -4.814 1.00 0.00 C ATOM 1669 CD1 TYR A 99 -2.951 12.294 -4.723 1.00 0.00 C ATOM 1670 CD2 TYR A 99 -4.021 10.524 -5.908 1.00 0.00 C ATOM 1671 CE1 TYR A 99 -3.371 13.195 -5.682 1.00 0.00 C ATOM 1672 CE2 TYR A 99 -4.444 11.414 -6.865 1.00 0.00 C ATOM 1673 CZ TYR A 99 -4.119 12.749 -6.755 1.00 0.00 C ATOM 1674 OH TYR A 99 -4.548 13.640 -7.717 1.00 0.00 O ATOM 0 H TYR A 99 -1.090 11.550 -3.102 1.00 0.00 H new ATOM 0 HA TYR A 99 -1.150 8.756 -2.987 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -3.397 9.009 -3.877 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.095 10.327 -2.762 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.367 12.646 -3.886 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -4.280 9.480 -6.007 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -3.117 14.241 -5.594 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -5.031 11.068 -7.703 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.060 13.161 -8.401 1.00 0.00 H new ATOM 1684 N ASN A 100 -0.469 9.876 -5.996 1.00 0.00 N ATOM 1685 CA ASN A 100 -0.029 9.519 -7.347 1.00 0.00 C ATOM 1686 C ASN A 100 1.434 9.956 -7.508 1.00 0.00 C ATOM 1687 O ASN A 100 1.724 11.104 -7.861 1.00 0.00 O ATOM 1688 CB ASN A 100 -0.947 10.178 -8.413 1.00 0.00 C ATOM 1689 CG ASN A 100 -0.558 9.825 -9.859 1.00 0.00 C ATOM 1690 OD1 ASN A 100 0.220 10.532 -10.496 1.00 0.00 O ATOM 1691 ND2 ASN A 100 -1.089 8.725 -10.384 1.00 0.00 N ATOM 0 H ASN A 100 -0.461 10.881 -5.822 1.00 0.00 H new ATOM 0 HA ASN A 100 -0.099 8.441 -7.495 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -1.977 9.868 -8.236 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -0.914 11.261 -8.290 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -0.853 8.450 -11.337 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -1.732 8.156 -9.833 1.00 0.00 H new ATOM 1698 N PHE A 101 2.341 9.047 -7.145 1.00 0.00 N ATOM 1699 CA PHE A 101 3.791 9.216 -7.344 1.00 0.00 C ATOM 1700 C PHE A 101 4.399 7.852 -7.724 1.00 0.00 C ATOM 1701 O PHE A 101 4.862 7.662 -8.857 1.00 0.00 O ATOM 1702 CB PHE A 101 4.443 9.808 -6.063 1.00 0.00 C ATOM 1703 CG PHE A 101 5.925 10.160 -6.203 1.00 0.00 C ATOM 1704 CD1 PHE A 101 6.325 11.276 -6.938 1.00 0.00 C ATOM 1705 CD2 PHE A 101 6.916 9.379 -5.602 1.00 0.00 C ATOM 1706 CE1 PHE A 101 7.663 11.600 -7.067 1.00 0.00 C ATOM 1707 CE2 PHE A 101 8.249 9.706 -5.732 1.00 0.00 C ATOM 1708 CZ PHE A 101 8.625 10.815 -6.464 1.00 0.00 C ATOM 0 H PHE A 101 2.093 8.163 -6.700 1.00 0.00 H new ATOM 0 HA PHE A 101 3.984 9.920 -8.154 1.00 0.00 H new ATOM 0 HB2 PHE A 101 3.896 10.706 -5.775 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.329 9.091 -5.250 1.00 0.00 H new ATOM 0 HD1 PHE A 101 5.579 11.896 -7.413 1.00 0.00 H new ATOM 0 HD2 PHE A 101 6.634 8.508 -5.029 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.956 12.468 -7.640 1.00 0.00 H new ATOM 0 HE2 PHE A 101 9.002 9.093 -5.260 1.00 0.00 H new ATOM 0 HZ PHE A 101 9.670 11.068 -6.565 1.00 0.00 H new ATOM 1718 N GLY A 102 4.382 6.901 -6.763 1.00 0.00 N ATOM 1719 CA GLY A 102 4.768 5.513 -7.034 1.00 0.00 C ATOM 1720 C GLY A 102 5.648 4.892 -5.951 1.00 0.00 C ATOM 1721 O GLY A 102 6.671 5.469 -5.570 1.00 0.00 O ATOM 0 H GLY A 102 4.104 7.077 -5.797 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.866 4.911 -7.145 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.298 5.473 -7.986 1.00 0.00 H new ATOM 1725 N THR A 103 5.221 3.721 -5.442 1.00 0.00 N ATOM 1726 CA THR A 103 5.969 2.918 -4.455 1.00 0.00 C ATOM 1727 C THR A 103 5.800 1.401 -4.738 1.00 0.00 C ATOM 1728 O THR A 103 4.752 0.965 -5.236 1.00 0.00 O ATOM 1729 CB THR A 103 5.500 3.278 -2.996 1.00 0.00 C ATOM 1730 OG1 THR A 103 5.945 4.603 -2.664 1.00 0.00 O ATOM 1731 CG2 THR A 103 6.000 2.301 -1.924 1.00 0.00 C ATOM 0 H THR A 103 4.332 3.299 -5.709 1.00 0.00 H new ATOM 0 HA THR A 103 7.029 3.155 -4.543 1.00 0.00 H new ATOM 0 HB THR A 103 4.412 3.212 -3.000 1.00 0.00 H new ATOM 0 HG1 THR A 103 6.364 5.014 -3.449 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.636 2.616 -0.946 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.630 1.299 -2.144 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.090 2.292 -1.919 1.00 0.00 H new ATOM 1739 N LEU A 104 6.858 0.615 -4.430 1.00 0.00 N ATOM 1740 CA LEU A 104 6.794 -0.857 -4.392 1.00 0.00 C ATOM 1741 C LEU A 104 6.013 -1.320 -3.145 1.00 0.00 C ATOM 1742 O LEU A 104 6.491 -1.178 -2.013 1.00 0.00 O ATOM 1743 CB LEU A 104 8.231 -1.468 -4.397 1.00 0.00 C ATOM 1744 CG LEU A 104 8.857 -1.713 -5.799 1.00 0.00 C ATOM 1745 CD1 LEU A 104 10.347 -2.111 -5.693 1.00 0.00 C ATOM 1746 CD2 LEU A 104 8.042 -2.784 -6.559 1.00 0.00 C ATOM 0 H LEU A 104 7.779 0.988 -4.201 1.00 0.00 H new ATOM 0 HA LEU A 104 6.272 -1.208 -5.282 1.00 0.00 H new ATOM 0 HB2 LEU A 104 8.890 -0.804 -3.837 1.00 0.00 H new ATOM 0 HB3 LEU A 104 8.204 -2.417 -3.861 1.00 0.00 H new ATOM 0 HG LEU A 104 8.817 -0.780 -6.362 1.00 0.00 H new ATOM 0 HD11 LEU A 104 10.752 -2.274 -6.692 1.00 0.00 H new ATOM 0 HD12 LEU A 104 10.903 -1.312 -5.202 1.00 0.00 H new ATOM 0 HD13 LEU A 104 10.438 -3.028 -5.110 1.00 0.00 H new ATOM 0 HD21 LEU A 104 8.486 -2.951 -7.540 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.050 -3.716 -5.994 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.014 -2.442 -6.679 1.00 0.00 H new ATOM 1758 N LEU A 105 4.802 -1.841 -3.377 1.00 0.00 N ATOM 1759 CA LEU A 105 3.950 -2.435 -2.331 1.00 0.00 C ATOM 1760 C LEU A 105 4.068 -3.962 -2.389 1.00 0.00 C ATOM 1761 O LEU A 105 3.904 -4.554 -3.461 1.00 0.00 O ATOM 1762 CB LEU A 105 2.476 -1.992 -2.532 1.00 0.00 C ATOM 1763 CG LEU A 105 1.391 -2.641 -1.606 1.00 0.00 C ATOM 1764 CD1 LEU A 105 1.662 -2.402 -0.106 1.00 0.00 C ATOM 1765 CD2 LEU A 105 -0.018 -2.149 -1.995 1.00 0.00 C ATOM 0 H LEU A 105 4.379 -1.864 -4.305 1.00 0.00 H new ATOM 0 HA LEU A 105 4.279 -2.091 -1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.429 -0.911 -2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.201 -2.198 -3.567 1.00 0.00 H new ATOM 0 HG LEU A 105 1.446 -3.718 -1.763 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.878 -2.875 0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.627 -2.831 0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.673 -1.331 0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.758 -2.610 -1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.067 -1.065 -1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.227 -2.423 -3.029 1.00 0.00 H new ATOM 1777 N ARG A 106 4.367 -4.587 -1.234 1.00 0.00 N ATOM 1778 CA ARG A 106 4.403 -6.049 -1.105 1.00 0.00 C ATOM 1779 C ARG A 106 2.993 -6.629 -1.363 1.00 0.00 C ATOM 1780 O ARG A 106 2.003 -6.154 -0.781 1.00 0.00 O ATOM 1781 CB ARG A 106 4.953 -6.469 0.294 1.00 0.00 C ATOM 1782 CG ARG A 106 4.210 -5.857 1.507 1.00 0.00 C ATOM 1783 CD ARG A 106 4.719 -6.371 2.871 1.00 0.00 C ATOM 1784 NE ARG A 106 6.155 -6.071 3.086 1.00 0.00 N ATOM 1785 CZ ARG A 106 6.648 -5.213 4.007 1.00 0.00 C ATOM 1786 NH1 ARG A 106 5.837 -4.480 4.769 1.00 0.00 N ATOM 1787 NH2 ARG A 106 7.966 -5.078 4.140 1.00 0.00 N ATOM 0 H ARG A 106 4.589 -4.092 -0.370 1.00 0.00 H new ATOM 0 HA ARG A 106 5.083 -6.458 -1.852 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.909 -7.555 0.372 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.004 -6.187 0.353 1.00 0.00 H new ATOM 0 HG2 ARG A 106 4.314 -4.772 1.476 1.00 0.00 H new ATOM 0 HG3 ARG A 106 3.146 -6.078 1.419 1.00 0.00 H new ATOM 0 HD2 ARG A 106 4.132 -5.917 3.670 1.00 0.00 H new ATOM 0 HD3 ARG A 106 4.562 -7.448 2.932 1.00 0.00 H new ATOM 0 HE ARG A 106 6.827 -6.552 2.489 1.00 0.00 H new ATOM 0 HH11 ARG A 106 4.826 -4.561 4.663 1.00 0.00 H new ATOM 0 HH12 ARG A 106 6.227 -3.838 5.459 1.00 0.00 H new ATOM 0 HH21 ARG A 106 8.596 -5.620 3.549 1.00 0.00 H new ATOM 0 HH22 ARG A 106 8.345 -4.433 4.833 1.00 0.00 H new ATOM 1801 N THR A 107 2.913 -7.607 -2.289 1.00 0.00 N ATOM 1802 CA THR A 107 1.649 -8.245 -2.685 1.00 0.00 C ATOM 1803 C THR A 107 1.011 -8.959 -1.491 1.00 0.00 C ATOM 1804 O THR A 107 -0.176 -8.794 -1.232 1.00 0.00 O ATOM 1805 CB THR A 107 1.849 -9.243 -3.872 1.00 0.00 C ATOM 1806 OG1 THR A 107 2.797 -10.259 -3.513 1.00 0.00 O ATOM 1807 CG2 THR A 107 2.336 -8.526 -5.137 1.00 0.00 C ATOM 0 H THR A 107 3.727 -7.974 -2.782 1.00 0.00 H new ATOM 0 HA THR A 107 0.978 -7.457 -3.026 1.00 0.00 H new ATOM 0 HB THR A 107 0.880 -9.696 -4.082 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.363 -10.922 -2.936 1.00 0.00 H new ATOM 0 HG21 THR A 107 2.464 -9.252 -5.940 1.00 0.00 H new ATOM 0 HG22 THR A 107 1.602 -7.778 -5.437 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.289 -8.038 -4.934 1.00 0.00 H new ATOM 1815 N ASP A 108 1.840 -9.716 -0.759 1.00 0.00 N ATOM 1816 CA ASP A 108 1.438 -10.413 0.479 1.00 0.00 C ATOM 1817 C ASP A 108 1.968 -9.634 1.693 1.00 0.00 C ATOM 1818 O ASP A 108 2.878 -8.813 1.563 1.00 0.00 O ATOM 1819 CB ASP A 108 2.004 -11.869 0.519 1.00 0.00 C ATOM 1820 CG ASP A 108 1.671 -12.716 -0.723 1.00 0.00 C ATOM 1821 OD1 ASP A 108 2.389 -12.607 -1.741 1.00 0.00 O ATOM 1822 OD2 ASP A 108 0.704 -13.505 -0.685 1.00 0.00 O ATOM 0 H ASP A 108 2.818 -9.866 -1.008 1.00 0.00 H new ATOM 0 HA ASP A 108 0.350 -10.465 0.504 1.00 0.00 H new ATOM 0 HB2 ASP A 108 3.087 -11.822 0.631 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.613 -12.373 1.403 1.00 0.00 H new ATOM 1827 N ALA A 109 1.388 -9.895 2.870 1.00 0.00 N ATOM 1828 CA ALA A 109 1.957 -9.441 4.152 1.00 0.00 C ATOM 1829 C ALA A 109 3.198 -10.287 4.483 1.00 0.00 C ATOM 1830 O ALA A 109 4.168 -9.799 5.069 1.00 0.00 O ATOM 1831 CB ALA A 109 0.912 -9.543 5.271 1.00 0.00 C ATOM 0 H ALA A 109 0.519 -10.421 2.965 1.00 0.00 H new ATOM 0 HA ALA A 109 2.251 -8.395 4.067 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.350 -9.204 6.210 1.00 0.00 H new ATOM 0 HB2 ALA A 109 0.053 -8.919 5.025 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.590 -10.579 5.375 1.00 0.00 H new ATOM 1837 N SER A 110 3.145 -11.562 4.046 1.00 0.00 N ATOM 1838 CA SER A 110 4.235 -12.540 4.194 1.00 0.00 C ATOM 1839 C SER A 110 5.242 -12.460 3.020 1.00 0.00 C ATOM 1840 O SER A 110 6.111 -13.334 2.878 1.00 0.00 O ATOM 1841 CB SER A 110 3.621 -13.950 4.287 1.00 0.00 C ATOM 1842 OG SER A 110 2.805 -14.226 3.156 1.00 0.00 O ATOM 0 H SER A 110 2.327 -11.945 3.572 1.00 0.00 H new ATOM 0 HA SER A 110 4.792 -12.313 5.103 1.00 0.00 H new ATOM 0 HB2 SER A 110 4.416 -14.693 4.356 1.00 0.00 H new ATOM 0 HB3 SER A 110 3.027 -14.033 5.197 1.00 0.00 H new ATOM 0 HG SER A 110 2.428 -15.127 3.237 1.00 0.00 H new ATOM 1848 N ALA A 111 5.130 -11.402 2.197 1.00 0.00 N ATOM 1849 CA ALA A 111 5.986 -11.207 1.020 1.00 0.00 C ATOM 1850 C ALA A 111 7.334 -10.584 1.400 1.00 0.00 C ATOM 1851 O ALA A 111 7.406 -9.668 2.233 1.00 0.00 O ATOM 1852 CB ALA A 111 5.279 -10.323 -0.009 1.00 0.00 C ATOM 0 H ALA A 111 4.443 -10.660 2.332 1.00 0.00 H new ATOM 0 HA ALA A 111 6.177 -12.188 0.586 1.00 0.00 H new ATOM 0 HB1 ALA A 111 5.925 -10.187 -0.876 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.349 -10.799 -0.320 1.00 0.00 H new ATOM 0 HB3 ALA A 111 5.059 -9.352 0.435 1.00 0.00 H new ATOM 1858 N GLU A 112 8.395 -11.095 0.762 1.00 0.00 N ATOM 1859 CA GLU A 112 9.747 -10.529 0.838 1.00 0.00 C ATOM 1860 C GLU A 112 9.918 -9.435 -0.245 1.00 0.00 C ATOM 1861 O GLU A 112 8.937 -8.970 -0.843 1.00 0.00 O ATOM 1862 CB GLU A 112 10.800 -11.665 0.673 1.00 0.00 C ATOM 1863 CG GLU A 112 10.697 -12.451 -0.651 1.00 0.00 C ATOM 1864 CD GLU A 112 11.777 -13.537 -0.792 1.00 0.00 C ATOM 1865 OE1 GLU A 112 12.885 -13.227 -1.284 1.00 0.00 O ATOM 1866 OE2 GLU A 112 11.528 -14.706 -0.415 1.00 0.00 O ATOM 0 H GLU A 112 8.337 -11.924 0.171 1.00 0.00 H new ATOM 0 HA GLU A 112 9.900 -10.065 1.812 1.00 0.00 H new ATOM 0 HB2 GLU A 112 11.797 -11.231 0.746 1.00 0.00 H new ATOM 0 HB3 GLU A 112 10.695 -12.363 1.504 1.00 0.00 H new ATOM 0 HG2 GLU A 112 9.713 -12.915 -0.716 1.00 0.00 H new ATOM 0 HG3 GLU A 112 10.777 -11.756 -1.487 1.00 0.00 H new ATOM 1873 N TYR A 113 11.170 -9.026 -0.483 1.00 0.00 N ATOM 1874 CA TYR A 113 11.532 -8.041 -1.517 1.00 0.00 C ATOM 1875 C TYR A 113 11.912 -8.793 -2.818 1.00 0.00 C ATOM 1876 O TYR A 113 13.078 -9.101 -3.076 1.00 0.00 O ATOM 1877 CB TYR A 113 12.670 -7.098 -0.987 1.00 0.00 C ATOM 1878 CG TYR A 113 13.919 -7.827 -0.437 1.00 0.00 C ATOM 1879 CD1 TYR A 113 13.904 -8.438 0.822 1.00 0.00 C ATOM 1880 CD2 TYR A 113 15.096 -7.928 -1.190 1.00 0.00 C ATOM 1881 CE1 TYR A 113 15.003 -9.124 1.298 1.00 0.00 C ATOM 1882 CE2 TYR A 113 16.198 -8.608 -0.713 1.00 0.00 C ATOM 1883 CZ TYR A 113 16.146 -9.207 0.527 1.00 0.00 C ATOM 1884 OH TYR A 113 17.237 -9.905 0.998 1.00 0.00 O ATOM 0 H TYR A 113 11.973 -9.373 0.042 1.00 0.00 H new ATOM 0 HA TYR A 113 10.686 -7.395 -1.751 1.00 0.00 H new ATOM 0 HB2 TYR A 113 12.980 -6.437 -1.797 1.00 0.00 H new ATOM 0 HB3 TYR A 113 12.260 -6.466 -0.199 1.00 0.00 H new ATOM 0 HD1 TYR A 113 13.016 -8.371 1.433 1.00 0.00 H new ATOM 0 HD2 TYR A 113 15.142 -7.464 -2.164 1.00 0.00 H new ATOM 0 HE1 TYR A 113 14.969 -9.594 2.270 1.00 0.00 H new ATOM 0 HE2 TYR A 113 17.097 -8.670 -1.309 1.00 0.00 H new ATOM 0 HH TYR A 113 17.959 -9.869 0.336 1.00 0.00 H new ATOM 1894 N GLY A 114 10.885 -9.149 -3.608 1.00 0.00 N ATOM 1895 CA GLY A 114 11.072 -9.921 -4.843 1.00 0.00 C ATOM 1896 C GLY A 114 10.125 -9.486 -5.950 1.00 0.00 C ATOM 1897 O GLY A 114 9.110 -8.843 -5.684 1.00 0.00 O ATOM 0 H GLY A 114 9.913 -8.912 -3.410 1.00 0.00 H new ATOM 0 HA2 GLY A 114 12.101 -9.810 -5.185 1.00 0.00 H new ATOM 0 HA3 GLY A 114 10.918 -10.979 -4.633 1.00 0.00 H new ATOM 1901 N GLN A 115 10.435 -9.915 -7.183 1.00 0.00 N ATOM 1902 CA GLN A 115 9.774 -9.431 -8.421 1.00 0.00 C ATOM 1903 C GLN A 115 8.270 -9.779 -8.450 1.00 0.00 C ATOM 1904 O GLN A 115 7.445 -8.991 -8.921 1.00 0.00 O ATOM 1905 CB GLN A 115 10.482 -10.049 -9.658 1.00 0.00 C ATOM 1906 CG GLN A 115 12.014 -9.881 -9.654 1.00 0.00 C ATOM 1907 CD GLN A 115 12.718 -10.523 -10.852 1.00 0.00 C ATOM 1908 OE1 GLN A 115 12.236 -11.499 -11.437 1.00 0.00 O ATOM 1909 NE2 GLN A 115 13.881 -9.999 -11.202 1.00 0.00 N ATOM 0 H GLN A 115 11.157 -10.614 -7.358 1.00 0.00 H new ATOM 0 HA GLN A 115 9.858 -8.344 -8.443 1.00 0.00 H new ATOM 0 HB2 GLN A 115 10.244 -11.112 -9.707 1.00 0.00 H new ATOM 0 HB3 GLN A 115 10.079 -9.590 -10.561 1.00 0.00 H new ATOM 0 HG2 GLN A 115 12.252 -8.817 -9.634 1.00 0.00 H new ATOM 0 HG3 GLN A 115 12.414 -10.314 -8.737 1.00 0.00 H new ATOM 0 HE21 GLN A 115 14.250 -9.193 -10.697 1.00 0.00 H new ATOM 0 HE22 GLN A 115 14.409 -10.401 -11.977 1.00 0.00 H new ATOM 1918 N PHE A 116 7.944 -10.970 -7.929 1.00 0.00 N ATOM 1919 CA PHE A 116 6.579 -11.528 -7.934 1.00 0.00 C ATOM 1920 C PHE A 116 5.902 -11.342 -6.557 1.00 0.00 C ATOM 1921 O PHE A 116 4.676 -11.452 -6.442 1.00 0.00 O ATOM 1922 CB PHE A 116 6.649 -13.032 -8.316 1.00 0.00 C ATOM 1923 CG PHE A 116 7.352 -13.294 -9.652 1.00 0.00 C ATOM 1924 CD1 PHE A 116 6.654 -13.222 -10.858 1.00 0.00 C ATOM 1925 CD2 PHE A 116 8.719 -13.587 -9.699 1.00 0.00 C ATOM 1926 CE1 PHE A 116 7.296 -13.438 -12.063 1.00 0.00 C ATOM 1927 CE2 PHE A 116 9.359 -13.805 -10.903 1.00 0.00 C ATOM 1928 CZ PHE A 116 8.648 -13.728 -12.086 1.00 0.00 C ATOM 0 H PHE A 116 8.628 -11.583 -7.486 1.00 0.00 H new ATOM 0 HA PHE A 116 5.975 -10.996 -8.669 1.00 0.00 H new ATOM 0 HB2 PHE A 116 7.171 -13.574 -7.528 1.00 0.00 H new ATOM 0 HB3 PHE A 116 5.637 -13.434 -8.363 1.00 0.00 H new ATOM 0 HD1 PHE A 116 5.598 -12.995 -10.850 1.00 0.00 H new ATOM 0 HD2 PHE A 116 9.283 -13.644 -8.779 1.00 0.00 H new ATOM 0 HE1 PHE A 116 6.741 -13.380 -12.988 1.00 0.00 H new ATOM 0 HE2 PHE A 116 10.414 -14.035 -10.920 1.00 0.00 H new ATOM 0 HZ PHE A 116 9.148 -13.894 -13.028 1.00 0.00 H new ATOM 1938 N THR A 117 6.716 -11.066 -5.514 1.00 0.00 N ATOM 1939 CA THR A 117 6.224 -10.842 -4.141 1.00 0.00 C ATOM 1940 C THR A 117 5.946 -9.343 -3.886 1.00 0.00 C ATOM 1941 O THR A 117 5.415 -8.985 -2.838 1.00 0.00 O ATOM 1942 CB THR A 117 7.241 -11.381 -3.079 1.00 0.00 C ATOM 1943 OG1 THR A 117 8.477 -10.676 -3.188 1.00 0.00 O ATOM 1944 CG2 THR A 117 7.506 -12.887 -3.231 1.00 0.00 C ATOM 0 H THR A 117 7.730 -10.993 -5.602 1.00 0.00 H new ATOM 0 HA THR A 117 5.289 -11.394 -4.039 1.00 0.00 H new ATOM 0 HB THR A 117 6.794 -11.218 -2.098 1.00 0.00 H new ATOM 0 HG1 THR A 117 8.604 -10.114 -2.395 1.00 0.00 H new ATOM 0 HG21 THR A 117 8.218 -13.210 -2.471 1.00 0.00 H new ATOM 0 HG22 THR A 117 6.572 -13.435 -3.109 1.00 0.00 H new ATOM 0 HG23 THR A 117 7.917 -13.086 -4.221 1.00 0.00 H new ATOM 1952 N THR A 118 6.334 -8.464 -4.835 1.00 0.00 N ATOM 1953 CA THR A 118 6.016 -7.018 -4.774 1.00 0.00 C ATOM 1954 C THR A 118 5.468 -6.550 -6.137 1.00 0.00 C ATOM 1955 O THR A 118 5.733 -7.178 -7.166 1.00 0.00 O ATOM 1956 CB THR A 118 7.260 -6.139 -4.371 1.00 0.00 C ATOM 1957 OG1 THR A 118 8.298 -6.238 -5.360 1.00 0.00 O ATOM 1958 CG2 THR A 118 7.836 -6.527 -2.993 1.00 0.00 C ATOM 0 H THR A 118 6.872 -8.732 -5.659 1.00 0.00 H new ATOM 0 HA THR A 118 5.263 -6.885 -3.997 1.00 0.00 H new ATOM 0 HB THR A 118 6.902 -5.111 -4.311 1.00 0.00 H new ATOM 0 HG1 THR A 118 8.670 -7.145 -5.354 1.00 0.00 H new ATOM 0 HG21 THR A 118 8.691 -5.891 -2.764 1.00 0.00 H new ATOM 0 HG22 THR A 118 7.070 -6.395 -2.228 1.00 0.00 H new ATOM 0 HG23 THR A 118 8.154 -7.569 -3.012 1.00 0.00 H new ATOM 1966 N CYS A 119 4.697 -5.452 -6.125 1.00 0.00 N ATOM 1967 CA CYS A 119 4.098 -4.850 -7.327 1.00 0.00 C ATOM 1968 C CYS A 119 4.261 -3.321 -7.282 1.00 0.00 C ATOM 1969 O CYS A 119 4.061 -2.694 -6.229 1.00 0.00 O ATOM 1970 CB CYS A 119 2.601 -5.246 -7.450 1.00 0.00 C ATOM 1971 SG CYS A 119 2.339 -6.955 -7.983 1.00 0.00 S ATOM 0 H CYS A 119 4.468 -4.949 -5.267 1.00 0.00 H new ATOM 0 HA CYS A 119 4.616 -5.229 -8.208 1.00 0.00 H new ATOM 0 HB2 CYS A 119 2.115 -5.098 -6.486 1.00 0.00 H new ATOM 0 HB3 CYS A 119 2.115 -4.576 -8.159 1.00 0.00 H new ATOM 0 HG CYS A 119 1.083 -7.262 -7.853 1.00 0.00 H new ATOM 1977 N PHE A 120 4.648 -2.745 -8.431 1.00 0.00 N ATOM 1978 CA PHE A 120 4.800 -1.295 -8.604 1.00 0.00 C ATOM 1979 C PHE A 120 3.402 -0.651 -8.707 1.00 0.00 C ATOM 1980 O PHE A 120 2.703 -0.852 -9.706 1.00 0.00 O ATOM 1981 CB PHE A 120 5.616 -0.985 -9.888 1.00 0.00 C ATOM 1982 CG PHE A 120 7.054 -1.521 -9.925 1.00 0.00 C ATOM 1983 CD1 PHE A 120 7.316 -2.863 -10.197 1.00 0.00 C ATOM 1984 CD2 PHE A 120 8.146 -0.672 -9.715 1.00 0.00 C ATOM 1985 CE1 PHE A 120 8.613 -3.341 -10.256 1.00 0.00 C ATOM 1986 CE2 PHE A 120 9.443 -1.147 -9.779 1.00 0.00 C ATOM 1987 CZ PHE A 120 9.676 -2.483 -10.047 1.00 0.00 C ATOM 0 H PHE A 120 4.866 -3.279 -9.272 1.00 0.00 H new ATOM 0 HA PHE A 120 5.335 -0.886 -7.747 1.00 0.00 H new ATOM 0 HB2 PHE A 120 5.077 -1.393 -10.743 1.00 0.00 H new ATOM 0 HB3 PHE A 120 5.650 0.097 -10.019 1.00 0.00 H new ATOM 0 HD1 PHE A 120 6.492 -3.541 -10.365 1.00 0.00 H new ATOM 0 HD2 PHE A 120 7.973 0.372 -9.499 1.00 0.00 H new ATOM 0 HE1 PHE A 120 8.795 -4.385 -10.465 1.00 0.00 H new ATOM 0 HE2 PHE A 120 10.273 -0.475 -9.620 1.00 0.00 H new ATOM 0 HZ PHE A 120 10.688 -2.856 -10.093 1.00 0.00 H new ATOM 1997 N VAL A 121 2.988 0.081 -7.660 1.00 0.00 N ATOM 1998 CA VAL A 121 1.670 0.766 -7.602 1.00 0.00 C ATOM 1999 C VAL A 121 1.863 2.258 -7.285 1.00 0.00 C ATOM 2000 O VAL A 121 2.992 2.713 -7.073 1.00 0.00 O ATOM 2001 CB VAL A 121 0.720 0.105 -6.517 1.00 0.00 C ATOM 2002 CG1 VAL A 121 0.426 -1.378 -6.854 1.00 0.00 C ATOM 2003 CG2 VAL A 121 1.310 0.241 -5.087 1.00 0.00 C ATOM 0 H VAL A 121 3.554 0.220 -6.823 1.00 0.00 H new ATOM 0 HA VAL A 121 1.196 0.659 -8.578 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.225 0.648 -6.540 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -0.227 -1.802 -6.091 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.063 -1.440 -7.826 1.00 0.00 H new ATOM 0 HG13 VAL A 121 1.361 -1.937 -6.882 1.00 0.00 H new ATOM 0 HG21 VAL A 121 0.634 -0.222 -4.369 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.280 -0.255 -5.045 1.00 0.00 H new ATOM 0 HG23 VAL A 121 1.431 1.296 -4.842 1.00 0.00 H new ATOM 2013 N VAL A 122 0.753 3.022 -7.288 1.00 0.00 N ATOM 2014 CA VAL A 122 0.737 4.398 -6.758 1.00 0.00 C ATOM 2015 C VAL A 122 0.761 4.361 -5.223 1.00 0.00 C ATOM 2016 O VAL A 122 0.342 3.366 -4.608 1.00 0.00 O ATOM 2017 CB VAL A 122 -0.499 5.235 -7.267 1.00 0.00 C ATOM 2018 CG1 VAL A 122 -0.414 5.474 -8.794 1.00 0.00 C ATOM 2019 CG2 VAL A 122 -1.845 4.571 -6.866 1.00 0.00 C ATOM 0 H VAL A 122 -0.146 2.707 -7.653 1.00 0.00 H new ATOM 0 HA VAL A 122 1.629 4.900 -7.132 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.465 6.208 -6.776 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -1.278 6.053 -9.120 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.499 6.022 -9.026 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -0.403 4.515 -9.312 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -2.673 5.176 -7.234 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -1.903 3.574 -7.302 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -1.905 4.496 -5.780 1.00 0.00 H new ATOM 2029 N ARG A 123 1.226 5.459 -4.605 1.00 0.00 N ATOM 2030 CA ARG A 123 1.475 5.490 -3.157 1.00 0.00 C ATOM 2031 C ARG A 123 0.183 5.348 -2.339 1.00 0.00 C ATOM 2032 O ARG A 123 0.247 4.833 -1.237 1.00 0.00 O ATOM 2033 CB ARG A 123 2.272 6.746 -2.728 1.00 0.00 C ATOM 2034 CG ARG A 123 3.723 6.764 -3.262 1.00 0.00 C ATOM 2035 CD ARG A 123 4.676 7.683 -2.476 1.00 0.00 C ATOM 2036 NE ARG A 123 4.416 9.112 -2.707 1.00 0.00 N ATOM 2037 CZ ARG A 123 5.322 10.092 -2.541 1.00 0.00 C ATOM 2038 NH1 ARG A 123 6.541 9.829 -2.082 1.00 0.00 N ATOM 2039 NH2 ARG A 123 5.003 11.335 -2.851 1.00 0.00 N ATOM 0 H ARG A 123 1.436 6.334 -5.085 1.00 0.00 H new ATOM 0 HA ARG A 123 2.094 4.620 -2.938 1.00 0.00 H new ATOM 0 HB2 ARG A 123 1.751 7.636 -3.082 1.00 0.00 H new ATOM 0 HB3 ARG A 123 2.292 6.800 -1.640 1.00 0.00 H new ATOM 0 HG2 ARG A 123 4.118 5.748 -3.242 1.00 0.00 H new ATOM 0 HG3 ARG A 123 3.710 7.080 -4.305 1.00 0.00 H new ATOM 0 HD2 ARG A 123 4.582 7.470 -1.411 1.00 0.00 H new ATOM 0 HD3 ARG A 123 5.705 7.456 -2.757 1.00 0.00 H new ATOM 0 HE ARG A 123 3.481 9.379 -3.015 1.00 0.00 H new ATOM 0 HH11 ARG A 123 6.803 8.871 -1.849 1.00 0.00 H new ATOM 0 HH12 ARG A 123 7.215 10.585 -1.963 1.00 0.00 H new ATOM 0 HH21 ARG A 123 4.074 11.548 -3.214 1.00 0.00 H new ATOM 0 HH22 ARG A 123 5.686 12.083 -2.727 1.00 0.00 H new ATOM 2053 N LEU A 124 -0.981 5.756 -2.898 1.00 0.00 N ATOM 2054 CA LEU A 124 -2.283 5.630 -2.195 1.00 0.00 C ATOM 2055 C LEU A 124 -2.607 4.140 -1.949 1.00 0.00 C ATOM 2056 O LEU A 124 -3.024 3.772 -0.849 1.00 0.00 O ATOM 2057 CB LEU A 124 -3.436 6.327 -2.998 1.00 0.00 C ATOM 2058 CG LEU A 124 -4.660 6.883 -2.173 1.00 0.00 C ATOM 2059 CD1 LEU A 124 -5.503 5.786 -1.520 1.00 0.00 C ATOM 2060 CD2 LEU A 124 -4.195 7.889 -1.111 1.00 0.00 C ATOM 0 H LEU A 124 -1.047 6.172 -3.827 1.00 0.00 H new ATOM 0 HA LEU A 124 -2.204 6.137 -1.233 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -3.003 7.155 -3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -3.818 5.613 -3.728 1.00 0.00 H new ATOM 0 HG LEU A 124 -5.301 7.386 -2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -6.327 6.240 -0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -5.901 5.126 -2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -4.882 5.210 -0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -5.058 8.257 -0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -3.504 7.400 -0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.692 8.725 -1.597 1.00 0.00 H new ATOM 2072 N GLN A 125 -2.391 3.299 -2.984 1.00 0.00 N ATOM 2073 CA GLN A 125 -2.613 1.841 -2.889 1.00 0.00 C ATOM 2074 C GLN A 125 -1.637 1.211 -1.888 1.00 0.00 C ATOM 2075 O GLN A 125 -2.027 0.299 -1.143 1.00 0.00 O ATOM 2076 CB GLN A 125 -2.484 1.154 -4.269 1.00 0.00 C ATOM 2077 CG GLN A 125 -3.599 1.517 -5.266 1.00 0.00 C ATOM 2078 CD GLN A 125 -3.481 0.785 -6.607 1.00 0.00 C ATOM 2079 OE1 GLN A 125 -2.965 -0.329 -6.687 1.00 0.00 O ATOM 2080 NE2 GLN A 125 -3.979 1.399 -7.669 1.00 0.00 N ATOM 0 H GLN A 125 -2.062 3.608 -3.899 1.00 0.00 H new ATOM 0 HA GLN A 125 -3.632 1.687 -2.534 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -1.522 1.421 -4.706 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -2.480 0.074 -4.125 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -4.565 1.285 -4.818 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -3.580 2.592 -5.445 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -4.401 2.323 -7.573 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -3.941 0.948 -8.583 1.00 0.00 H new ATOM 2089 N PHE A 126 -0.372 1.710 -1.875 1.00 0.00 N ATOM 2090 CA PHE A 126 0.631 1.305 -0.874 1.00 0.00 C ATOM 2091 C PHE A 126 0.086 1.535 0.541 1.00 0.00 C ATOM 2092 O PHE A 126 -0.001 0.598 1.324 1.00 0.00 O ATOM 2093 CB PHE A 126 1.981 2.049 -1.064 1.00 0.00 C ATOM 2094 CG PHE A 126 3.014 1.728 0.027 1.00 0.00 C ATOM 2095 CD1 PHE A 126 3.649 0.489 0.060 1.00 0.00 C ATOM 2096 CD2 PHE A 126 3.323 2.647 1.030 1.00 0.00 C ATOM 2097 CE1 PHE A 126 4.558 0.177 1.049 1.00 0.00 C ATOM 2098 CE2 PHE A 126 4.229 2.333 2.022 1.00 0.00 C ATOM 2099 CZ PHE A 126 4.845 1.097 2.031 1.00 0.00 C ATOM 0 H PHE A 126 -0.030 2.394 -2.551 1.00 0.00 H new ATOM 0 HA PHE A 126 0.827 0.242 -1.016 1.00 0.00 H new ATOM 0 HB2 PHE A 126 2.398 1.787 -2.037 1.00 0.00 H new ATOM 0 HB3 PHE A 126 1.797 3.123 -1.075 1.00 0.00 H new ATOM 0 HD1 PHE A 126 3.425 -0.241 -0.703 1.00 0.00 H new ATOM 0 HD2 PHE A 126 2.847 3.616 1.030 1.00 0.00 H new ATOM 0 HE1 PHE A 126 5.044 -0.788 1.053 1.00 0.00 H new ATOM 0 HE2 PHE A 126 4.457 3.055 2.792 1.00 0.00 H new ATOM 0 HZ PHE A 126 5.553 0.852 2.809 1.00 0.00 H new ATOM 2109 N TYR A 127 -0.338 2.783 0.809 1.00 0.00 N ATOM 2110 CA TYR A 127 -0.852 3.207 2.121 1.00 0.00 C ATOM 2111 C TYR A 127 -2.052 2.336 2.530 1.00 0.00 C ATOM 2112 O TYR A 127 -2.102 1.832 3.632 1.00 0.00 O ATOM 2113 CB TYR A 127 -1.250 4.714 2.102 1.00 0.00 C ATOM 2114 CG TYR A 127 -0.119 5.686 1.704 1.00 0.00 C ATOM 2115 CD1 TYR A 127 1.208 5.451 2.072 1.00 0.00 C ATOM 2116 CD2 TYR A 127 -0.381 6.836 0.948 1.00 0.00 C ATOM 2117 CE1 TYR A 127 2.224 6.315 1.708 1.00 0.00 C ATOM 2118 CE2 TYR A 127 0.637 7.699 0.579 1.00 0.00 C ATOM 2119 CZ TYR A 127 1.934 7.435 0.962 1.00 0.00 C ATOM 2120 OH TYR A 127 2.943 8.303 0.601 1.00 0.00 O ATOM 0 H TYR A 127 -0.333 3.530 0.115 1.00 0.00 H new ATOM 0 HA TYR A 127 -0.059 3.077 2.858 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -2.081 4.845 1.409 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -1.613 4.990 3.092 1.00 0.00 H new ATOM 0 HD1 TYR A 127 1.446 4.573 2.655 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -1.395 7.053 0.648 1.00 0.00 H new ATOM 0 HE1 TYR A 127 3.242 6.112 2.008 1.00 0.00 H new ATOM 0 HE2 TYR A 127 0.415 8.578 -0.008 1.00 0.00 H new ATOM 0 HH TYR A 127 2.622 8.901 -0.106 1.00 0.00 H new ATOM 2130 N ALA A 128 -2.956 2.104 1.578 1.00 0.00 N ATOM 2131 CA ALA A 128 -4.219 1.376 1.798 1.00 0.00 C ATOM 2132 C ALA A 128 -3.998 -0.035 2.414 1.00 0.00 C ATOM 2133 O ALA A 128 -4.394 -0.298 3.569 1.00 0.00 O ATOM 2134 CB ALA A 128 -4.968 1.307 0.461 1.00 0.00 C ATOM 0 H ALA A 128 -2.835 2.419 0.615 1.00 0.00 H new ATOM 0 HA ALA A 128 -4.819 1.914 2.532 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -5.908 0.772 0.598 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -5.174 2.317 0.107 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -4.355 0.783 -0.273 1.00 0.00 H new ATOM 2140 N PHE A 129 -3.300 -0.901 1.661 1.00 0.00 N ATOM 2141 CA PHE A 129 -3.054 -2.304 2.062 1.00 0.00 C ATOM 2142 C PHE A 129 -2.021 -2.411 3.202 1.00 0.00 C ATOM 2143 O PHE A 129 -2.131 -3.299 4.050 1.00 0.00 O ATOM 2144 CB PHE A 129 -2.578 -3.142 0.848 1.00 0.00 C ATOM 2145 CG PHE A 129 -3.635 -3.348 -0.237 1.00 0.00 C ATOM 2146 CD1 PHE A 129 -4.614 -4.333 -0.094 1.00 0.00 C ATOM 2147 CD2 PHE A 129 -3.645 -2.574 -1.400 1.00 0.00 C ATOM 2148 CE1 PHE A 129 -5.566 -4.536 -1.075 1.00 0.00 C ATOM 2149 CE2 PHE A 129 -4.597 -2.777 -2.379 1.00 0.00 C ATOM 2150 CZ PHE A 129 -5.558 -3.758 -2.217 1.00 0.00 C ATOM 0 H PHE A 129 -2.890 -0.654 0.760 1.00 0.00 H new ATOM 0 HA PHE A 129 -4.001 -2.699 2.430 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -1.711 -2.654 0.404 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -2.247 -4.118 1.204 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -4.628 -4.945 0.796 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -2.898 -1.806 -1.535 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -6.316 -5.303 -0.949 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -4.591 -2.169 -3.272 1.00 0.00 H new ATOM 0 HZ PHE A 129 -6.303 -3.916 -2.983 1.00 0.00 H new ATOM 2160 N GLU A 130 -1.032 -1.496 3.223 1.00 0.00 N ATOM 2161 CA GLU A 130 0.108 -1.584 4.157 1.00 0.00 C ATOM 2162 C GLU A 130 -0.294 -1.122 5.575 1.00 0.00 C ATOM 2163 O GLU A 130 0.027 -1.797 6.548 1.00 0.00 O ATOM 2164 CB GLU A 130 1.323 -0.783 3.628 1.00 0.00 C ATOM 2165 CG GLU A 130 2.670 -1.130 4.292 1.00 0.00 C ATOM 2166 CD GLU A 130 3.082 -2.601 4.089 1.00 0.00 C ATOM 2167 OE1 GLU A 130 3.217 -3.042 2.926 1.00 0.00 O ATOM 2168 OE2 GLU A 130 3.257 -3.325 5.086 1.00 0.00 O ATOM 0 H GLU A 130 -1.000 -0.687 2.603 1.00 0.00 H new ATOM 0 HA GLU A 130 0.404 -2.631 4.224 1.00 0.00 H new ATOM 0 HB2 GLU A 130 1.410 -0.951 2.555 1.00 0.00 H new ATOM 0 HB3 GLU A 130 1.128 0.280 3.770 1.00 0.00 H new ATOM 0 HG2 GLU A 130 3.446 -0.482 3.886 1.00 0.00 H new ATOM 0 HG3 GLU A 130 2.607 -0.921 5.360 1.00 0.00 H new ATOM 2175 N ILE A 131 -1.026 0.012 5.676 1.00 0.00 N ATOM 2176 CA ILE A 131 -1.599 0.503 6.962 1.00 0.00 C ATOM 2177 C ILE A 131 -2.524 -0.568 7.550 1.00 0.00 C ATOM 2178 O ILE A 131 -2.490 -0.828 8.753 1.00 0.00 O ATOM 2179 CB ILE A 131 -2.400 1.855 6.779 1.00 0.00 C ATOM 2180 CG1 ILE A 131 -1.448 3.017 6.360 1.00 0.00 C ATOM 2181 CG2 ILE A 131 -3.208 2.246 8.048 1.00 0.00 C ATOM 2182 CD1 ILE A 131 -2.149 4.239 5.790 1.00 0.00 C ATOM 0 H ILE A 131 -1.238 0.612 4.878 1.00 0.00 H new ATOM 0 HA ILE A 131 -0.770 0.701 7.641 1.00 0.00 H new ATOM 0 HB ILE A 131 -3.120 1.684 5.979 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -0.865 3.322 7.229 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -0.743 2.641 5.619 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -3.739 3.181 7.868 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -3.927 1.460 8.278 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -2.526 2.372 8.889 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -1.408 4.994 5.527 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -2.709 3.955 4.899 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -2.833 4.646 6.534 1.00 0.00 H new ATOM 2194 N ALA A 132 -3.327 -1.185 6.663 1.00 0.00 N ATOM 2195 CA ALA A 132 -4.220 -2.294 7.019 1.00 0.00 C ATOM 2196 C ALA A 132 -3.466 -3.434 7.744 1.00 0.00 C ATOM 2197 O ALA A 132 -3.738 -3.721 8.911 1.00 0.00 O ATOM 2198 CB ALA A 132 -4.913 -2.809 5.756 1.00 0.00 C ATOM 0 H ALA A 132 -3.372 -0.925 5.678 1.00 0.00 H new ATOM 0 HA ALA A 132 -4.970 -1.923 7.718 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -5.577 -3.633 6.016 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -5.493 -2.004 5.305 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -4.163 -3.158 5.046 1.00 0.00 H new ATOM 2204 N ARG A 133 -2.478 -4.032 7.056 1.00 0.00 N ATOM 2205 CA ARG A 133 -1.701 -5.177 7.586 1.00 0.00 C ATOM 2206 C ARG A 133 -0.767 -4.771 8.761 1.00 0.00 C ATOM 2207 O ARG A 133 -0.327 -5.632 9.517 1.00 0.00 O ATOM 2208 CB ARG A 133 -0.917 -5.880 6.440 1.00 0.00 C ATOM 2209 CG ARG A 133 0.092 -4.984 5.706 1.00 0.00 C ATOM 2210 CD ARG A 133 0.772 -5.679 4.514 1.00 0.00 C ATOM 2211 NE ARG A 133 -0.188 -6.073 3.456 1.00 0.00 N ATOM 2212 CZ ARG A 133 -0.016 -5.869 2.135 1.00 0.00 C ATOM 2213 NH1 ARG A 133 0.991 -5.122 1.686 1.00 0.00 N ATOM 2214 NH2 ARG A 133 -0.887 -6.380 1.271 1.00 0.00 N ATOM 0 H ARG A 133 -2.193 -3.741 6.121 1.00 0.00 H new ATOM 0 HA ARG A 133 -2.412 -5.891 8.001 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -0.386 -6.737 6.854 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -1.632 -6.268 5.715 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -0.419 -4.089 5.352 1.00 0.00 H new ATOM 0 HG3 ARG A 133 0.856 -4.657 6.411 1.00 0.00 H new ATOM 0 HD2 ARG A 133 1.521 -5.011 4.088 1.00 0.00 H new ATOM 0 HD3 ARG A 133 1.299 -6.565 4.868 1.00 0.00 H new ATOM 0 HE ARG A 133 -1.048 -6.536 3.751 1.00 0.00 H new ATOM 0 HH11 ARG A 133 1.643 -4.696 2.345 1.00 0.00 H new ATOM 0 HH12 ARG A 133 1.110 -4.976 0.684 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -1.681 -6.924 1.609 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -0.761 -6.228 0.270 1.00 0.00 H new ATOM 2228 N ASN A 134 -0.468 -3.460 8.906 1.00 0.00 N ATOM 2229 CA ASN A 134 0.271 -2.925 10.082 1.00 0.00 C ATOM 2230 C ASN A 134 -0.635 -2.926 11.332 1.00 0.00 C ATOM 2231 O ASN A 134 -0.214 -3.362 12.411 1.00 0.00 O ATOM 2232 CB ASN A 134 0.814 -1.485 9.804 1.00 0.00 C ATOM 2233 CG ASN A 134 2.060 -1.447 8.900 1.00 0.00 C ATOM 2234 OD1 ASN A 134 2.913 -2.329 8.962 1.00 0.00 O ATOM 2235 ND2 ASN A 134 2.170 -0.423 8.059 1.00 0.00 N ATOM 0 H ASN A 134 -0.726 -2.748 8.223 1.00 0.00 H new ATOM 0 HA ASN A 134 1.126 -3.576 10.266 1.00 0.00 H new ATOM 0 HB2 ASN A 134 0.024 -0.893 9.341 1.00 0.00 H new ATOM 0 HB3 ASN A 134 1.053 -1.009 10.755 1.00 0.00 H new ATOM 0 HD21 ASN A 134 2.979 -0.354 7.442 1.00 0.00 H new ATOM 0 HD22 ASN A 134 1.445 0.294 8.031 1.00 0.00 H new ATOM 2242 N LYS A 135 -1.891 -2.456 11.159 1.00 0.00 N ATOM 2243 CA LYS A 135 -2.905 -2.399 12.244 1.00 0.00 C ATOM 2244 C LYS A 135 -3.351 -3.816 12.663 1.00 0.00 C ATOM 2245 O LYS A 135 -3.657 -4.064 13.831 1.00 0.00 O ATOM 2246 CB LYS A 135 -4.141 -1.568 11.794 1.00 0.00 C ATOM 2247 CG LYS A 135 -3.870 -0.069 11.536 1.00 0.00 C ATOM 2248 CD LYS A 135 -5.127 0.686 11.029 1.00 0.00 C ATOM 2249 CE LYS A 135 -6.266 0.760 12.067 1.00 0.00 C ATOM 2250 NZ LYS A 135 -5.915 1.597 13.241 1.00 0.00 N ATOM 0 H LYS A 135 -2.233 -2.105 10.265 1.00 0.00 H new ATOM 0 HA LYS A 135 -2.444 -1.913 13.104 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -4.543 -2.010 10.882 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -4.914 -1.654 12.558 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -3.518 0.396 12.457 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -3.070 0.031 10.802 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -4.841 1.698 10.743 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -5.498 0.194 10.130 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -7.160 1.164 11.592 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -6.512 -0.247 12.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -6.184 1.100 14.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -4.891 1.776 13.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -6.424 2.502 13.187 1.00 0.00 H new ATOM 2264 N HIS A 136 -3.380 -4.734 11.682 1.00 0.00 N ATOM 2265 CA HIS A 136 -3.730 -6.156 11.897 1.00 0.00 C ATOM 2266 C HIS A 136 -2.494 -6.973 12.345 1.00 0.00 C ATOM 2267 O HIS A 136 -2.628 -8.152 12.683 1.00 0.00 O ATOM 2268 CB HIS A 136 -4.345 -6.758 10.599 1.00 0.00 C ATOM 2269 CG HIS A 136 -5.722 -6.243 10.261 1.00 0.00 C ATOM 2270 ND1 HIS A 136 -6.794 -7.072 10.012 1.00 0.00 N ATOM 2271 CD2 HIS A 136 -6.192 -4.984 10.117 1.00 0.00 C ATOM 2272 CE1 HIS A 136 -7.854 -6.342 9.728 1.00 0.00 C ATOM 2273 NE2 HIS A 136 -7.516 -5.073 9.787 1.00 0.00 N ATOM 0 H HIS A 136 -3.161 -4.513 10.711 1.00 0.00 H new ATOM 0 HA HIS A 136 -4.471 -6.210 12.695 1.00 0.00 H new ATOM 0 HB2 HIS A 136 -3.677 -6.547 9.764 1.00 0.00 H new ATOM 0 HB3 HIS A 136 -4.392 -7.842 10.703 1.00 0.00 H new ATOM 0 HD1 HIS A 136 -6.771 -8.091 10.043 1.00 0.00 H new ATOM 0 HD2 HIS A 136 -5.625 -4.073 10.240 1.00 0.00 H new ATOM 0 HE1 HIS A 136 -8.836 -6.723 9.487 1.00 0.00 H new ATOM 2282 N GLY A 137 -1.296 -6.336 12.317 1.00 0.00 N ATOM 2283 CA GLY A 137 -0.049 -6.960 12.795 1.00 0.00 C ATOM 2284 C GLY A 137 0.364 -8.198 11.996 1.00 0.00 C ATOM 2285 O GLY A 137 0.964 -9.119 12.537 1.00 0.00 O ATOM 0 H GLY A 137 -1.174 -5.386 11.966 1.00 0.00 H new ATOM 0 HA2 GLY A 137 0.755 -6.225 12.751 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -0.170 -7.238 13.842 1.00 0.00 H new ATOM 2289 N LEU A 138 0.036 -8.202 10.698 1.00 0.00 N ATOM 2290 CA LEU A 138 0.356 -9.307 9.767 1.00 0.00 C ATOM 2291 C LEU A 138 1.835 -9.243 9.309 1.00 0.00 C ATOM 2292 O LEU A 138 2.357 -10.192 8.717 1.00 0.00 O ATOM 2293 CB LEU A 138 -0.610 -9.241 8.558 1.00 0.00 C ATOM 2294 CG LEU A 138 -2.131 -9.278 8.910 1.00 0.00 C ATOM 2295 CD1 LEU A 138 -2.996 -9.115 7.651 1.00 0.00 C ATOM 2296 CD2 LEU A 138 -2.505 -10.561 9.692 1.00 0.00 C ATOM 0 H LEU A 138 -0.465 -7.433 10.253 1.00 0.00 H new ATOM 0 HA LEU A 138 0.225 -10.260 10.280 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -0.406 -8.326 8.002 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -0.389 -10.075 7.892 1.00 0.00 H new ATOM 0 HG LEU A 138 -2.336 -8.431 9.565 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -4.050 -9.145 7.927 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -2.772 -8.159 7.177 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -2.781 -9.925 6.954 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -3.571 -10.551 9.919 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -2.271 -11.437 9.087 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -1.936 -10.599 10.621 1.00 0.00 H new ATOM 2308 N ASN A 139 2.493 -8.104 9.607 1.00 0.00 N ATOM 2309 CA ASN A 139 3.939 -7.881 9.359 1.00 0.00 C ATOM 2310 C ASN A 139 4.768 -8.183 10.629 1.00 0.00 C ATOM 2311 O ASN A 139 5.937 -7.784 10.730 1.00 0.00 O ATOM 2312 CB ASN A 139 4.164 -6.412 8.917 1.00 0.00 C ATOM 2313 CG ASN A 139 3.448 -6.047 7.615 1.00 0.00 C ATOM 2314 OD1 ASN A 139 3.280 -6.879 6.718 1.00 0.00 O ATOM 2315 ND2 ASN A 139 3.014 -4.804 7.512 1.00 0.00 N ATOM 0 H ASN A 139 2.032 -7.300 10.033 1.00 0.00 H new ATOM 0 HA ASN A 139 4.268 -8.557 8.570 1.00 0.00 H new ATOM 0 HB2 ASN A 139 3.821 -5.747 9.709 1.00 0.00 H new ATOM 0 HB3 ASN A 139 5.233 -6.238 8.795 1.00 0.00 H new ATOM 0 HD21 ASN A 139 2.522 -4.504 6.671 1.00 0.00 H new ATOM 0 HD22 ASN A 139 3.171 -4.144 8.274 1.00 0.00 H new ATOM 2322 N ASP A 140 4.158 -8.925 11.574 1.00 0.00 N ATOM 2323 CA ASP A 140 4.758 -9.236 12.889 1.00 0.00 C ATOM 2324 C ASP A 140 6.015 -10.119 12.751 1.00 0.00 C ATOM 2325 O ASP A 140 6.894 -10.110 13.621 1.00 0.00 O ATOM 2326 CB ASP A 140 3.707 -9.926 13.796 1.00 0.00 C ATOM 2327 CG ASP A 140 4.187 -10.158 15.237 1.00 0.00 C ATOM 2328 OD1 ASP A 140 4.297 -9.170 15.992 1.00 0.00 O ATOM 2329 OD2 ASP A 140 4.472 -11.320 15.612 1.00 0.00 O ATOM 0 H ASP A 140 3.230 -9.328 11.447 1.00 0.00 H new ATOM 0 HA ASP A 140 5.070 -8.297 13.347 1.00 0.00 H new ATOM 0 HB2 ASP A 140 2.804 -9.316 13.818 1.00 0.00 H new ATOM 0 HB3 ASP A 140 3.434 -10.885 13.355 1.00 0.00 H new ATOM 2334 N TRP A 141 6.094 -10.879 11.651 1.00 0.00 N ATOM 2335 CA TRP A 141 7.272 -11.701 11.349 1.00 0.00 C ATOM 2336 C TRP A 141 8.479 -10.824 10.964 1.00 0.00 C ATOM 2337 O TRP A 141 9.608 -11.146 11.328 1.00 0.00 O ATOM 2338 CB TRP A 141 6.956 -12.745 10.254 1.00 0.00 C ATOM 2339 CG TRP A 141 6.595 -12.160 8.913 1.00 0.00 C ATOM 2340 CD1 TRP A 141 5.391 -11.625 8.540 1.00 0.00 C ATOM 2341 CD2 TRP A 141 7.453 -12.049 7.770 1.00 0.00 C ATOM 2342 NE1 TRP A 141 5.458 -11.184 7.253 1.00 0.00 N ATOM 2343 CE2 TRP A 141 6.708 -11.436 6.756 1.00 0.00 C ATOM 2344 CE3 TRP A 141 8.785 -12.403 7.512 1.00 0.00 C ATOM 2345 CZ2 TRP A 141 7.242 -11.167 5.501 1.00 0.00 C ATOM 2346 CZ3 TRP A 141 9.313 -12.139 6.265 1.00 0.00 C ATOM 2347 CH2 TRP A 141 8.538 -11.526 5.273 1.00 0.00 C ATOM 0 H TRP A 141 5.353 -10.941 10.953 1.00 0.00 H new ATOM 0 HA TRP A 141 7.541 -12.246 12.254 1.00 0.00 H new ATOM 0 HB2 TRP A 141 7.822 -13.396 10.130 1.00 0.00 H new ATOM 0 HB3 TRP A 141 6.132 -13.372 10.595 1.00 0.00 H new ATOM 0 HD1 TRP A 141 4.518 -11.562 9.172 1.00 0.00 H new ATOM 0 HE1 TRP A 141 4.697 -10.737 6.741 1.00 0.00 H new ATOM 0 HE3 TRP A 141 9.387 -12.874 8.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 141 6.651 -10.690 4.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 141 10.337 -12.409 6.051 1.00 0.00 H new ATOM 0 HH2 TRP A 141 8.976 -11.333 4.305 1.00 0.00 H new ATOM 2358 N ILE A 142 8.215 -9.700 10.263 1.00 0.00 N ATOM 2359 CA ILE A 142 9.266 -8.754 9.827 1.00 0.00 C ATOM 2360 C ILE A 142 9.859 -8.050 11.049 1.00 0.00 C ATOM 2361 O ILE A 142 11.079 -7.921 11.174 1.00 0.00 O ATOM 2362 CB ILE A 142 8.718 -7.677 8.814 1.00 0.00 C ATOM 2363 CG1 ILE A 142 7.908 -8.367 7.685 1.00 0.00 C ATOM 2364 CG2 ILE A 142 9.868 -6.820 8.216 1.00 0.00 C ATOM 2365 CD1 ILE A 142 7.118 -7.435 6.798 1.00 0.00 C ATOM 0 H ILE A 142 7.273 -9.424 9.985 1.00 0.00 H new ATOM 0 HA ILE A 142 10.033 -9.331 9.311 1.00 0.00 H new ATOM 0 HB ILE A 142 8.058 -7.005 9.362 1.00 0.00 H new ATOM 0 HG12 ILE A 142 8.597 -8.938 7.063 1.00 0.00 H new ATOM 0 HG13 ILE A 142 7.220 -9.081 8.138 1.00 0.00 H new ATOM 0 HG21 ILE A 142 9.454 -6.088 7.522 1.00 0.00 H new ATOM 0 HG22 ILE A 142 10.392 -6.302 9.020 1.00 0.00 H new ATOM 0 HG23 ILE A 142 10.567 -7.467 7.686 1.00 0.00 H new ATOM 0 HD11 ILE A 142 6.588 -8.014 6.042 1.00 0.00 H new ATOM 0 HD12 ILE A 142 6.399 -6.881 7.401 1.00 0.00 H new ATOM 0 HD13 ILE A 142 7.796 -6.736 6.309 1.00 0.00 H new ATOM 2377 N VAL A 143 8.973 -7.655 11.978 1.00 0.00 N ATOM 2378 CA VAL A 143 9.388 -7.000 13.227 1.00 0.00 C ATOM 2379 C VAL A 143 10.074 -8.011 14.174 1.00 0.00 C ATOM 2380 O VAL A 143 10.748 -7.616 15.128 1.00 0.00 O ATOM 2381 CB VAL A 143 8.188 -6.250 13.941 1.00 0.00 C ATOM 2382 CG1 VAL A 143 7.360 -5.425 12.923 1.00 0.00 C ATOM 2383 CG2 VAL A 143 7.285 -7.196 14.765 1.00 0.00 C ATOM 0 H VAL A 143 7.965 -7.778 11.886 1.00 0.00 H new ATOM 0 HA VAL A 143 10.117 -6.233 12.966 1.00 0.00 H new ATOM 0 HB VAL A 143 8.638 -5.561 14.656 1.00 0.00 H new ATOM 0 HG11 VAL A 143 6.544 -4.921 13.441 1.00 0.00 H new ATOM 0 HG12 VAL A 143 8.002 -4.682 12.449 1.00 0.00 H new ATOM 0 HG13 VAL A 143 6.951 -6.090 12.162 1.00 0.00 H new ATOM 0 HG21 VAL A 143 6.483 -6.621 15.228 1.00 0.00 H new ATOM 0 HG22 VAL A 143 6.856 -7.953 14.108 1.00 0.00 H new ATOM 0 HG23 VAL A 143 7.878 -7.681 15.540 1.00 0.00 H new ATOM 2393 N GLY A 144 9.908 -9.321 13.876 1.00 0.00 N ATOM 2394 CA GLY A 144 10.534 -10.401 14.641 1.00 0.00 C ATOM 2395 C GLY A 144 11.684 -11.093 13.902 1.00 0.00 C ATOM 2396 O GLY A 144 12.106 -12.179 14.317 1.00 0.00 O ATOM 0 H GLY A 144 9.335 -9.648 13.098 1.00 0.00 H new ATOM 0 HA2 GLY A 144 10.909 -9.998 15.582 1.00 0.00 H new ATOM 0 HA3 GLY A 144 9.776 -11.143 14.892 1.00 0.00 H new ATOM 2400 N GLN A 145 12.198 -10.483 12.799 1.00 0.00 N ATOM 2401 CA GLN A 145 13.354 -11.044 12.041 1.00 0.00 C ATOM 2402 C GLN A 145 14.677 -10.875 12.827 1.00 0.00 C ATOM 2403 O GLN A 145 14.702 -10.246 13.892 1.00 0.00 O ATOM 2404 CB GLN A 145 13.476 -10.406 10.621 1.00 0.00 C ATOM 2405 CG GLN A 145 12.343 -10.760 9.634 1.00 0.00 C ATOM 2406 CD GLN A 145 12.164 -12.268 9.387 1.00 0.00 C ATOM 2407 OE1 GLN A 145 12.851 -12.816 8.399 1.00 0.00 O flip ATOM 2408 NE2 GLN A 145 11.411 -12.936 10.082 1.00 0.00 N flip ATOM 0 H GLN A 145 11.834 -9.610 12.417 1.00 0.00 H new ATOM 0 HA GLN A 145 13.166 -12.110 11.914 1.00 0.00 H new ATOM 0 HB2 GLN A 145 13.513 -9.322 10.731 1.00 0.00 H new ATOM 0 HB3 GLN A 145 14.425 -10.715 10.183 1.00 0.00 H new ATOM 0 HG2 GLN A 145 11.406 -10.353 10.014 1.00 0.00 H new ATOM 0 HG3 GLN A 145 12.541 -10.269 8.681 1.00 0.00 H new ATOM 0 HE21 GLN A 145 10.890 -12.494 10.839 1.00 0.00 H new ATOM 0 HE22 GLN A 145 11.304 -13.935 9.904 1.00 0.00 H new ATOM 2417 N LYS A 146 15.764 -11.433 12.261 1.00 0.00 N ATOM 2418 CA LYS A 146 17.092 -11.543 12.913 1.00 0.00 C ATOM 2419 C LYS A 146 17.645 -10.177 13.439 1.00 0.00 C ATOM 2420 O LYS A 146 17.938 -10.071 14.649 1.00 0.00 O ATOM 2421 CB LYS A 146 18.086 -12.237 11.934 1.00 0.00 C ATOM 2422 CG LYS A 146 18.286 -11.531 10.567 1.00 0.00 C ATOM 2423 CD LYS A 146 19.012 -12.411 9.520 1.00 0.00 C ATOM 2424 CE LYS A 146 20.388 -12.930 9.989 1.00 0.00 C ATOM 2425 NZ LYS A 146 21.020 -13.835 8.985 1.00 0.00 N ATOM 2426 OXT LYS A 146 17.733 -9.202 12.663 1.00 0.00 O ATOM 0 H LYS A 146 15.748 -11.828 11.321 1.00 0.00 H new ATOM 0 HA LYS A 146 16.975 -12.156 13.807 1.00 0.00 H new ATOM 0 HB2 LYS A 146 19.055 -12.318 12.426 1.00 0.00 H new ATOM 0 HB3 LYS A 146 17.737 -13.253 11.750 1.00 0.00 H new ATOM 0 HG2 LYS A 146 17.313 -11.238 10.172 1.00 0.00 H new ATOM 0 HG3 LYS A 146 18.857 -10.615 10.720 1.00 0.00 H new ATOM 0 HD2 LYS A 146 18.378 -13.262 9.272 1.00 0.00 H new ATOM 0 HD3 LYS A 146 19.144 -11.835 8.604 1.00 0.00 H new ATOM 0 HE2 LYS A 146 21.048 -12.084 10.180 1.00 0.00 H new ATOM 0 HE3 LYS A 146 20.271 -13.462 10.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 21.942 -14.159 9.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 20.403 -14.656 8.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 21.156 -13.321 8.091 1.00 0.00 H new