USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 693 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 Single : A 20 ASN : amide:sc= -3.66 K(o=-3.7,f=-19!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot -10:sc= -0.789 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.025 USER MOD Single : A 36 THR OG1 : rot 92:sc= 0.0788 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0402 USER MOD Single : A 45 ASN : amide:sc= -0.391 K(o=-0.39,f=-2.4!) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0216 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0056 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 138:sc= -0.352 (180deg=-1.61!) USER MOD Single : A 65 LYS NZ :NH3+ -140:sc= 0.328 (180deg=-0.71) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot 17:sc= 0.176 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -147:sc= 0.758 (180deg=0.105) USER MOD Single : A 78 MET CE :methyl 165:sc= -1.16 (180deg=-1.58) USER MOD Single : A 79 TYR OH : rot -160:sc= 1.21 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0758 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -1.13 K(o=-1.1,f=0.71) USER MOD Single : A 87 TYR OH : rot 23:sc= 0.717 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot -130:sc= -3.9! USER MOD Single : A 97 ASN : amide:sc= 0.4 K(o=0.4,f=-5.5!) USER MOD Single : A 98 HIS : no HD1:sc= -1.59! K(o=-1.6!,f=0.12) USER MOD Single : A 102 SER OG : rot 40:sc= 0.361! USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 241 N ASN A 20 2.507 18.521 -1.570 1.00 0.00 N ATOM 242 CA ASN A 20 1.763 18.126 -0.379 1.00 0.00 C ATOM 243 C ASN A 20 1.550 16.616 -0.346 1.00 0.00 C ATOM 244 O ASN A 20 0.993 16.023 -1.270 1.00 0.00 O ATOM 245 CB ASN A 20 0.413 18.844 -0.334 1.00 0.00 C ATOM 246 CG ASN A 20 -0.455 18.371 0.816 1.00 0.00 C ATOM 247 OD1 ASN A 20 -0.010 17.605 1.670 1.00 0.00 O ATOM 248 ND2 ASN A 20 -1.702 18.828 0.841 1.00 0.00 N ATOM 0 HA ASN A 20 2.348 18.411 0.495 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.578 19.918 -0.243 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.114 18.681 -1.274 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.334 18.545 1.590 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -2.028 19.462 0.111 1.00 0.00 H new ATOM 255 N PRO A 21 2.003 15.978 0.743 1.00 0.00 N ATOM 256 CA PRO A 21 1.872 14.529 0.923 1.00 0.00 C ATOM 257 C PRO A 21 0.427 14.101 1.154 1.00 0.00 C ATOM 258 O PRO A 21 0.029 12.998 0.782 1.00 0.00 O ATOM 259 CB PRO A 21 2.718 14.249 2.168 1.00 0.00 C ATOM 260 CG PRO A 21 2.722 15.534 2.921 1.00 0.00 C ATOM 261 CD PRO A 21 2.677 16.622 1.883 1.00 0.00 C ATOM 0 HA PRO A 21 2.193 13.978 0.039 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.290 13.443 2.764 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.730 13.945 1.899 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.864 15.597 3.590 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.615 15.621 3.539 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.125 17.492 2.237 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.677 16.965 1.617 1.00 0.00 H new ATOM 269 N ALA A 22 -0.355 14.983 1.768 1.00 0.00 N ATOM 270 CA ALA A 22 -1.757 14.697 2.045 1.00 0.00 C ATOM 271 C ALA A 22 -2.556 14.561 0.753 1.00 0.00 C ATOM 272 O ALA A 22 -3.355 13.637 0.600 1.00 0.00 O ATOM 273 CB ALA A 22 -2.354 15.786 2.925 1.00 0.00 C ATOM 0 H ALA A 22 -0.041 15.901 2.083 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.810 13.746 2.576 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.402 15.560 3.124 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.808 15.833 3.867 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.281 16.747 2.415 1.00 0.00 H new ATOM 279 N LEU A 23 -2.336 15.488 -0.173 1.00 0.00 N ATOM 280 CA LEU A 23 -3.036 15.472 -1.453 1.00 0.00 C ATOM 281 C LEU A 23 -2.882 14.119 -2.141 1.00 0.00 C ATOM 282 O LEU A 23 -3.858 13.534 -2.609 1.00 0.00 O ATOM 283 CB LEU A 23 -2.504 16.582 -2.361 1.00 0.00 C ATOM 284 CG LEU A 23 -3.070 17.981 -2.111 1.00 0.00 C ATOM 285 CD1 LEU A 23 -2.404 18.997 -3.026 1.00 0.00 C ATOM 286 CD2 LEU A 23 -4.578 17.990 -2.311 1.00 0.00 C ATOM 0 H LEU A 23 -1.679 16.260 -0.062 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.095 15.643 -1.262 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.420 16.625 -2.252 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.710 16.308 -3.396 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.859 18.258 -1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.819 19.986 -2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.331 19.010 -2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.584 18.723 -4.066 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.963 18.993 -2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.811 17.692 -3.333 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.042 17.291 -1.614 1.00 0.00 H new ATOM 298 N VAL A 24 -1.648 13.627 -2.197 1.00 0.00 N ATOM 299 CA VAL A 24 -1.366 12.342 -2.825 1.00 0.00 C ATOM 300 C VAL A 24 -2.435 11.313 -2.475 1.00 0.00 C ATOM 301 O VAL A 24 -2.864 11.214 -1.325 1.00 0.00 O ATOM 302 CB VAL A 24 0.011 11.799 -2.399 1.00 0.00 C ATOM 303 CG1 VAL A 24 0.192 10.366 -2.876 1.00 0.00 C ATOM 304 CG2 VAL A 24 1.122 12.691 -2.933 1.00 0.00 C ATOM 0 H VAL A 24 -0.828 14.099 -1.815 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.365 12.510 -3.902 1.00 0.00 H new ATOM 0 HB VAL A 24 0.063 11.803 -1.310 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.171 10.000 -2.565 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.585 9.737 -2.442 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.120 10.333 -3.963 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.088 12.293 -2.623 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.074 12.720 -4.022 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.001 13.699 -2.537 1.00 0.00 H new ATOM 314 N SER A 25 -2.862 10.547 -3.475 1.00 0.00 N ATOM 315 CA SER A 25 -3.884 9.527 -3.274 1.00 0.00 C ATOM 316 C SER A 25 -3.483 8.217 -3.944 1.00 0.00 C ATOM 317 O SER A 25 -2.601 8.190 -4.802 1.00 0.00 O ATOM 318 CB SER A 25 -5.228 10.006 -3.826 1.00 0.00 C ATOM 319 OG SER A 25 -6.304 9.308 -3.225 1.00 0.00 O ATOM 0 H SER A 25 -2.516 10.614 -4.432 1.00 0.00 H new ATOM 0 HA SER A 25 -3.982 9.351 -2.203 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.338 11.075 -3.646 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.254 9.860 -4.906 1.00 0.00 H new ATOM 0 HG SER A 25 -7.152 9.634 -3.593 1.00 0.00 H new ATOM 325 N ALA A 26 -4.138 7.131 -3.546 1.00 0.00 N ATOM 326 CA ALA A 26 -3.852 5.817 -4.109 1.00 0.00 C ATOM 327 C ALA A 26 -5.131 5.007 -4.289 1.00 0.00 C ATOM 328 O ALA A 26 -5.949 4.909 -3.374 1.00 0.00 O ATOM 329 CB ALA A 26 -2.869 5.066 -3.223 1.00 0.00 C ATOM 0 H ALA A 26 -4.870 7.135 -2.836 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.402 5.960 -5.092 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.664 4.087 -3.655 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.940 5.631 -3.150 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.297 4.941 -2.229 1.00 0.00 H new ATOM 335 N TYR A 27 -5.298 4.428 -5.473 1.00 0.00 N ATOM 336 CA TYR A 27 -6.480 3.629 -5.773 1.00 0.00 C ATOM 337 C TYR A 27 -6.169 2.572 -6.828 1.00 0.00 C ATOM 338 O TYR A 27 -5.168 2.662 -7.538 1.00 0.00 O ATOM 339 CB TYR A 27 -7.620 4.527 -6.256 1.00 0.00 C ATOM 340 CG TYR A 27 -7.212 5.487 -7.351 1.00 0.00 C ATOM 341 CD1 TYR A 27 -6.990 5.040 -8.647 1.00 0.00 C ATOM 342 CD2 TYR A 27 -7.050 6.842 -7.089 1.00 0.00 C ATOM 343 CE1 TYR A 27 -6.617 5.913 -9.650 1.00 0.00 C ATOM 344 CE2 TYR A 27 -6.678 7.723 -8.086 1.00 0.00 C ATOM 345 CZ TYR A 27 -6.462 7.254 -9.365 1.00 0.00 C ATOM 346 OH TYR A 27 -6.092 8.128 -10.361 1.00 0.00 O ATOM 0 H TYR A 27 -4.630 4.497 -6.240 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.788 3.124 -4.857 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.436 3.901 -6.618 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.006 5.096 -5.410 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.111 3.991 -8.874 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -7.218 7.213 -6.089 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.448 5.548 -10.652 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -6.557 8.773 -7.865 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.826 7.623 -11.158 1.00 0.00 H new ATOM 356 N GLY A 28 -7.036 1.568 -6.925 1.00 0.00 N ATOM 357 CA GLY A 28 -6.837 0.508 -7.895 1.00 0.00 C ATOM 358 C GLY A 28 -7.560 -0.769 -7.514 1.00 0.00 C ATOM 359 O GLY A 28 -8.565 -0.735 -6.803 1.00 0.00 O ATOM 0 H GLY A 28 -7.872 1.470 -6.349 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.187 0.843 -8.871 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.771 0.303 -7.992 1.00 0.00 H new ATOM 363 N THR A 29 -7.049 -1.901 -7.989 1.00 0.00 N ATOM 364 CA THR A 29 -7.654 -3.195 -7.697 1.00 0.00 C ATOM 365 C THR A 29 -6.829 -3.969 -6.675 1.00 0.00 C ATOM 366 O THR A 29 -7.310 -4.927 -6.072 1.00 0.00 O ATOM 367 CB THR A 29 -7.802 -4.047 -8.971 1.00 0.00 C ATOM 368 OG1 THR A 29 -8.053 -3.201 -10.099 1.00 0.00 O ATOM 369 CG2 THR A 29 -8.933 -5.052 -8.822 1.00 0.00 C ATOM 0 H THR A 29 -6.217 -1.948 -8.578 1.00 0.00 H new ATOM 0 HA THR A 29 -8.644 -2.995 -7.286 1.00 0.00 H new ATOM 0 HB THR A 29 -6.872 -4.593 -9.127 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.144 -3.750 -10.906 1.00 0.00 H new ATOM 0 HG21 THR A 29 -9.018 -5.642 -9.735 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.724 -5.713 -7.981 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.869 -4.523 -8.644 1.00 0.00 H new ATOM 377 N GLY A 30 -5.583 -3.545 -6.483 1.00 0.00 N ATOM 378 CA GLY A 30 -4.712 -4.210 -5.532 1.00 0.00 C ATOM 379 C GLY A 30 -4.746 -3.562 -4.163 1.00 0.00 C ATOM 380 O GLY A 30 -4.118 -4.048 -3.221 1.00 0.00 O ATOM 0 H GLY A 30 -5.162 -2.753 -6.969 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.007 -5.255 -5.443 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.690 -4.199 -5.911 1.00 0.00 H new ATOM 384 N LEU A 31 -5.480 -2.460 -4.050 1.00 0.00 N ATOM 385 CA LEU A 31 -5.592 -1.742 -2.785 1.00 0.00 C ATOM 386 C LEU A 31 -6.973 -1.939 -2.168 1.00 0.00 C ATOM 387 O LEU A 31 -7.171 -1.700 -0.977 1.00 0.00 O ATOM 388 CB LEU A 31 -5.324 -0.251 -2.996 1.00 0.00 C ATOM 389 CG LEU A 31 -3.882 0.130 -3.335 1.00 0.00 C ATOM 390 CD1 LEU A 31 -3.800 1.588 -3.759 1.00 0.00 C ATOM 391 CD2 LEU A 31 -2.967 -0.135 -2.148 1.00 0.00 C ATOM 0 H LEU A 31 -6.006 -2.045 -4.819 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.846 -2.145 -2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.971 0.104 -3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.616 0.282 -2.091 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.550 -0.488 -4.169 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.766 1.840 -3.996 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.423 1.747 -4.639 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.151 2.224 -2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.945 0.142 -2.407 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.298 0.457 -1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.002 -1.194 -1.891 1.00 0.00 H new ATOM 403 N GLU A 32 -7.924 -2.378 -2.987 1.00 0.00 N ATOM 404 CA GLU A 32 -9.287 -2.608 -2.520 1.00 0.00 C ATOM 405 C GLU A 32 -9.438 -4.019 -1.957 1.00 0.00 C ATOM 406 O GLU A 32 -10.480 -4.371 -1.407 1.00 0.00 O ATOM 407 CB GLU A 32 -10.283 -2.393 -3.661 1.00 0.00 C ATOM 408 CG GLU A 32 -10.231 -3.474 -4.727 1.00 0.00 C ATOM 409 CD GLU A 32 -11.532 -3.600 -5.495 1.00 0.00 C ATOM 410 OE1 GLU A 32 -12.431 -4.327 -5.023 1.00 0.00 O ATOM 411 OE2 GLU A 32 -11.652 -2.972 -6.568 1.00 0.00 O ATOM 0 H GLU A 32 -7.776 -2.581 -3.976 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.497 -1.893 -1.724 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.291 -2.350 -3.249 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.087 -1.427 -4.126 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.422 -3.253 -5.424 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.996 -4.430 -4.259 1.00 0.00 H new ATOM 418 N GLY A 33 -8.388 -4.823 -2.101 1.00 0.00 N ATOM 419 CA GLY A 33 -8.424 -6.185 -1.603 1.00 0.00 C ATOM 420 C GLY A 33 -7.277 -7.025 -2.129 1.00 0.00 C ATOM 421 O GLY A 33 -6.582 -6.625 -3.061 1.00 0.00 O ATOM 0 H GLY A 33 -7.514 -4.555 -2.553 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.390 -6.171 -0.514 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.369 -6.648 -1.887 1.00 0.00 H new ATOM 425 N GLY A 34 -7.077 -8.194 -1.528 1.00 0.00 N ATOM 426 CA GLY A 34 -6.003 -9.073 -1.953 1.00 0.00 C ATOM 427 C GLY A 34 -6.510 -10.278 -2.721 1.00 0.00 C ATOM 428 O GLY A 34 -7.065 -11.209 -2.135 1.00 0.00 O ATOM 0 H GLY A 34 -7.640 -8.548 -0.754 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.306 -8.514 -2.578 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.447 -9.411 -1.079 1.00 0.00 H new ATOM 432 N THR A 35 -6.322 -10.261 -4.037 1.00 0.00 N ATOM 433 CA THR A 35 -6.767 -11.359 -4.886 1.00 0.00 C ATOM 434 C THR A 35 -5.614 -12.300 -5.217 1.00 0.00 C ATOM 435 O THR A 35 -4.745 -11.973 -6.026 1.00 0.00 O ATOM 436 CB THR A 35 -7.384 -10.840 -6.198 1.00 0.00 C ATOM 437 OG1 THR A 35 -6.777 -9.596 -6.566 1.00 0.00 O ATOM 438 CG2 THR A 35 -8.887 -10.653 -6.053 1.00 0.00 C ATOM 0 H THR A 35 -5.865 -9.499 -4.538 1.00 0.00 H new ATOM 0 HA THR A 35 -7.527 -11.903 -4.326 1.00 0.00 H new ATOM 0 HB THR A 35 -7.200 -11.579 -6.978 1.00 0.00 H new ATOM 0 HG1 THR A 35 -7.173 -9.273 -7.402 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.300 -10.286 -6.992 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.350 -11.607 -5.801 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.089 -9.932 -5.261 1.00 0.00 H new ATOM 446 N THR A 36 -5.612 -13.471 -4.588 1.00 0.00 N ATOM 447 CA THR A 36 -4.565 -14.459 -4.816 1.00 0.00 C ATOM 448 C THR A 36 -4.762 -15.170 -6.149 1.00 0.00 C ATOM 449 O THR A 36 -5.774 -15.835 -6.366 1.00 0.00 O ATOM 450 CB THR A 36 -4.528 -15.508 -3.688 1.00 0.00 C ATOM 451 OG1 THR A 36 -4.860 -14.895 -2.437 1.00 0.00 O ATOM 452 CG2 THR A 36 -3.153 -16.152 -3.593 1.00 0.00 C ATOM 0 H THR A 36 -6.324 -13.758 -3.917 1.00 0.00 H new ATOM 0 HA THR A 36 -3.618 -13.919 -4.832 1.00 0.00 H new ATOM 0 HB THR A 36 -5.260 -16.282 -3.918 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.825 -14.967 -2.283 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.151 -16.889 -2.790 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.915 -16.643 -4.537 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.406 -15.386 -3.384 1.00 0.00 H new ATOM 460 N GLY A 37 -3.786 -15.026 -7.041 1.00 0.00 N ATOM 461 CA GLY A 37 -3.871 -15.662 -8.343 1.00 0.00 C ATOM 462 C GLY A 37 -3.994 -14.657 -9.472 1.00 0.00 C ATOM 463 O GLY A 37 -3.628 -14.947 -10.611 1.00 0.00 O ATOM 0 H GLY A 37 -2.938 -14.480 -6.885 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.985 -16.276 -8.502 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.731 -16.332 -8.361 1.00 0.00 H new ATOM 467 N ILE A 38 -4.511 -13.475 -9.155 1.00 0.00 N ATOM 468 CA ILE A 38 -4.681 -12.425 -10.152 1.00 0.00 C ATOM 469 C ILE A 38 -3.706 -11.277 -9.913 1.00 0.00 C ATOM 470 O ILE A 38 -3.403 -10.935 -8.771 1.00 0.00 O ATOM 471 CB ILE A 38 -6.118 -11.872 -10.148 1.00 0.00 C ATOM 472 CG1 ILE A 38 -7.129 -13.019 -10.217 1.00 0.00 C ATOM 473 CG2 ILE A 38 -6.320 -10.911 -11.309 1.00 0.00 C ATOM 474 CD1 ILE A 38 -8.535 -12.566 -10.543 1.00 0.00 C ATOM 0 H ILE A 38 -4.819 -13.220 -8.217 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.477 -12.876 -11.123 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.278 -11.326 -9.218 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.803 -13.735 -10.971 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.137 -13.543 -9.261 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.341 -10.529 -11.292 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.620 -10.080 -11.220 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.144 -11.434 -12.249 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -9.198 -13.431 -10.576 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -8.881 -11.873 -9.776 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.541 -12.068 -11.512 1.00 0.00 H new ATOM 486 N GLN A 39 -3.219 -10.686 -11.000 1.00 0.00 N ATOM 487 CA GLN A 39 -2.279 -9.575 -10.908 1.00 0.00 C ATOM 488 C GLN A 39 -3.017 -8.244 -10.808 1.00 0.00 C ATOM 489 O GLN A 39 -3.602 -7.772 -11.783 1.00 0.00 O ATOM 490 CB GLN A 39 -1.348 -9.565 -12.121 1.00 0.00 C ATOM 491 CG GLN A 39 -0.622 -8.245 -12.321 1.00 0.00 C ATOM 492 CD GLN A 39 0.260 -8.244 -13.553 1.00 0.00 C ATOM 493 OE1 GLN A 39 -0.096 -7.675 -14.586 1.00 0.00 O ATOM 494 NE2 GLN A 39 1.420 -8.884 -13.452 1.00 0.00 N ATOM 0 H GLN A 39 -3.460 -10.958 -11.953 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.685 -9.709 -10.004 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.612 -10.361 -12.010 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -1.929 -9.790 -13.016 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.354 -7.441 -12.402 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.012 -8.033 -11.442 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.675 -9.342 -12.577 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.055 -8.917 -14.249 1.00 0.00 H new ATOM 503 N SER A 40 -2.987 -7.643 -9.622 1.00 0.00 N ATOM 504 CA SER A 40 -3.656 -6.368 -9.394 1.00 0.00 C ATOM 505 C SER A 40 -2.719 -5.201 -9.690 1.00 0.00 C ATOM 506 O SER A 40 -1.503 -5.374 -9.771 1.00 0.00 O ATOM 507 CB SER A 40 -4.157 -6.282 -7.951 1.00 0.00 C ATOM 508 OG SER A 40 -3.233 -6.875 -7.055 1.00 0.00 O ATOM 0 H SER A 40 -2.506 -8.019 -8.805 1.00 0.00 H new ATOM 0 HA SER A 40 -4.508 -6.307 -10.071 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.314 -5.238 -7.679 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.122 -6.782 -7.867 1.00 0.00 H new ATOM 0 HG SER A 40 -3.575 -6.806 -6.139 1.00 0.00 H new ATOM 514 N GLU A 41 -3.294 -4.014 -9.849 1.00 0.00 N ATOM 515 CA GLU A 41 -2.511 -2.818 -10.137 1.00 0.00 C ATOM 516 C GLU A 41 -3.172 -1.578 -9.543 1.00 0.00 C ATOM 517 O GLU A 41 -4.393 -1.426 -9.595 1.00 0.00 O ATOM 518 CB GLU A 41 -2.340 -2.644 -11.647 1.00 0.00 C ATOM 519 CG GLU A 41 -3.640 -2.352 -12.377 1.00 0.00 C ATOM 520 CD GLU A 41 -3.597 -2.768 -13.835 1.00 0.00 C ATOM 521 OE1 GLU A 41 -3.767 -3.973 -14.114 1.00 0.00 O ATOM 522 OE2 GLU A 41 -3.393 -1.887 -14.697 1.00 0.00 O ATOM 0 H GLU A 41 -4.299 -3.854 -9.783 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.529 -2.940 -9.679 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.638 -1.831 -11.833 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.896 -3.550 -12.061 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.457 -2.873 -11.878 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.856 -1.286 -12.314 1.00 0.00 H new ATOM 529 N PHE A 42 -2.357 -0.694 -8.977 1.00 0.00 N ATOM 530 CA PHE A 42 -2.862 0.533 -8.371 1.00 0.00 C ATOM 531 C PHE A 42 -1.967 1.719 -8.717 1.00 0.00 C ATOM 532 O PHE A 42 -0.760 1.692 -8.473 1.00 0.00 O ATOM 533 CB PHE A 42 -2.956 0.376 -6.852 1.00 0.00 C ATOM 534 CG PHE A 42 -1.627 0.461 -6.158 1.00 0.00 C ATOM 535 CD1 PHE A 42 -1.046 1.691 -5.893 1.00 0.00 C ATOM 536 CD2 PHE A 42 -0.958 -0.689 -5.770 1.00 0.00 C ATOM 537 CE1 PHE A 42 0.176 1.773 -5.254 1.00 0.00 C ATOM 538 CE2 PHE A 42 0.265 -0.613 -5.130 1.00 0.00 C ATOM 539 CZ PHE A 42 0.833 0.619 -4.873 1.00 0.00 C ATOM 0 H PHE A 42 -1.344 -0.804 -8.925 1.00 0.00 H new ATOM 0 HA PHE A 42 -3.858 0.723 -8.772 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -3.614 1.149 -6.455 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.417 -0.585 -6.622 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.555 2.596 -6.190 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.397 -1.655 -5.970 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.617 2.738 -5.053 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.776 -1.517 -4.831 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.789 0.680 -4.375 1.00 0.00 H new ATOM 549 N PHE A 43 -2.566 2.759 -9.286 1.00 0.00 N ATOM 550 CA PHE A 43 -1.824 3.955 -9.667 1.00 0.00 C ATOM 551 C PHE A 43 -1.864 4.998 -8.554 1.00 0.00 C ATOM 552 O PHE A 43 -2.869 5.138 -7.856 1.00 0.00 O ATOM 553 CB PHE A 43 -2.396 4.547 -10.957 1.00 0.00 C ATOM 554 CG PHE A 43 -2.544 3.543 -12.064 1.00 0.00 C ATOM 555 CD1 PHE A 43 -3.618 2.667 -12.084 1.00 0.00 C ATOM 556 CD2 PHE A 43 -1.609 3.474 -13.084 1.00 0.00 C ATOM 557 CE1 PHE A 43 -3.756 1.742 -13.101 1.00 0.00 C ATOM 558 CE2 PHE A 43 -1.742 2.550 -14.104 1.00 0.00 C ATOM 559 CZ PHE A 43 -2.817 1.684 -14.113 1.00 0.00 C ATOM 0 H PHE A 43 -3.564 2.798 -9.494 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.786 3.669 -9.836 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.370 4.987 -10.744 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.748 5.355 -11.295 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.355 2.708 -11.296 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.767 4.150 -13.082 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.597 1.065 -13.105 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.006 2.506 -14.893 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.924 0.963 -14.910 1.00 0.00 H new ATOM 569 N ILE A 44 -0.765 5.727 -8.395 1.00 0.00 N ATOM 570 CA ILE A 44 -0.674 6.757 -7.367 1.00 0.00 C ATOM 571 C ILE A 44 -0.984 8.135 -7.942 1.00 0.00 C ATOM 572 O ILE A 44 -0.347 8.578 -8.896 1.00 0.00 O ATOM 573 CB ILE A 44 0.724 6.785 -6.720 1.00 0.00 C ATOM 574 CG1 ILE A 44 0.936 5.539 -5.858 1.00 0.00 C ATOM 575 CG2 ILE A 44 0.897 8.047 -5.889 1.00 0.00 C ATOM 576 CD1 ILE A 44 2.393 5.195 -5.642 1.00 0.00 C ATOM 0 H ILE A 44 0.075 5.624 -8.965 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.413 6.509 -6.605 1.00 0.00 H new ATOM 0 HB ILE A 44 1.475 6.788 -7.510 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.460 5.692 -4.890 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.437 4.692 -6.329 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.889 8.053 -5.438 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.784 8.922 -6.529 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.142 8.072 -5.104 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.468 4.301 -5.022 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.870 5.010 -6.605 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.893 6.025 -5.143 1.00 0.00 H new ATOM 588 N ASN A 45 -1.966 8.809 -7.352 1.00 0.00 N ATOM 589 CA ASN A 45 -2.360 10.138 -7.804 1.00 0.00 C ATOM 590 C ASN A 45 -1.382 11.196 -7.302 1.00 0.00 C ATOM 591 O ASN A 45 -1.633 11.864 -6.298 1.00 0.00 O ATOM 592 CB ASN A 45 -3.774 10.465 -7.321 1.00 0.00 C ATOM 593 CG ASN A 45 -4.470 11.477 -8.212 1.00 0.00 C ATOM 594 OD1 ASN A 45 -3.961 11.840 -9.272 1.00 0.00 O ATOM 595 ND2 ASN A 45 -5.639 11.938 -7.783 1.00 0.00 N ATOM 0 H ASN A 45 -2.503 8.456 -6.560 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.345 10.143 -8.894 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.364 9.549 -7.286 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.727 10.853 -6.303 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.153 12.621 -8.339 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.023 11.609 -6.897 1.00 0.00 H new ATOM 602 N THR A 46 -0.264 11.344 -8.007 1.00 0.00 N ATOM 603 CA THR A 46 0.752 12.319 -7.633 1.00 0.00 C ATOM 604 C THR A 46 0.818 13.459 -8.643 1.00 0.00 C ATOM 605 O THR A 46 1.326 14.540 -8.343 1.00 0.00 O ATOM 606 CB THR A 46 2.143 11.666 -7.522 1.00 0.00 C ATOM 607 OG1 THR A 46 3.161 12.631 -7.811 1.00 0.00 O ATOM 608 CG2 THR A 46 2.266 10.489 -8.477 1.00 0.00 C ATOM 0 H THR A 46 -0.040 10.800 -8.840 1.00 0.00 H new ATOM 0 HA THR A 46 0.466 12.716 -6.659 1.00 0.00 H new ATOM 0 HB THR A 46 2.269 11.300 -6.503 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.042 12.209 -7.737 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.256 10.044 -8.381 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.508 9.744 -8.235 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.121 10.834 -9.501 1.00 0.00 H new ATOM 616 N THR A 47 0.300 13.212 -9.842 1.00 0.00 N ATOM 617 CA THR A 47 0.300 14.218 -10.897 1.00 0.00 C ATOM 618 C THR A 47 -0.495 15.450 -10.481 1.00 0.00 C ATOM 619 O THR A 47 -0.324 16.530 -11.047 1.00 0.00 O ATOM 620 CB THR A 47 -0.289 13.659 -12.206 1.00 0.00 C ATOM 621 OG1 THR A 47 0.240 14.377 -13.327 1.00 0.00 O ATOM 622 CG2 THR A 47 -1.807 13.760 -12.204 1.00 0.00 C ATOM 0 H THR A 47 -0.125 12.323 -10.107 1.00 0.00 H new ATOM 0 HA THR A 47 1.339 14.499 -11.066 1.00 0.00 H new ATOM 0 HB THR A 47 -0.011 12.608 -12.283 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.138 14.015 -14.155 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.200 13.359 -13.139 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.209 13.189 -11.367 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.102 14.805 -12.105 1.00 0.00 H new ATOM 630 N ARG A 48 -1.363 15.282 -9.490 1.00 0.00 N ATOM 631 CA ARG A 48 -2.185 16.382 -8.999 1.00 0.00 C ATOM 632 C ARG A 48 -1.779 16.772 -7.580 1.00 0.00 C ATOM 633 O ARG A 48 -2.172 17.825 -7.079 1.00 0.00 O ATOM 634 CB ARG A 48 -3.664 15.995 -9.029 1.00 0.00 C ATOM 635 CG ARG A 48 -3.991 14.771 -8.189 1.00 0.00 C ATOM 636 CD ARG A 48 -4.390 15.158 -6.773 1.00 0.00 C ATOM 637 NE ARG A 48 -5.545 16.051 -6.755 1.00 0.00 N ATOM 638 CZ ARG A 48 -6.250 16.318 -5.661 1.00 0.00 C ATOM 639 NH1 ARG A 48 -5.919 15.764 -4.503 1.00 0.00 N ATOM 640 NH2 ARG A 48 -7.289 17.142 -5.724 1.00 0.00 N ATOM 0 H ARG A 48 -1.516 14.395 -9.011 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.028 17.240 -9.653 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.258 16.837 -8.675 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.961 15.807 -10.061 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.802 14.213 -8.657 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.126 14.109 -8.156 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.619 14.258 -6.202 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.548 15.644 -6.279 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.826 16.494 -7.630 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.121 15.131 -4.450 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.462 15.971 -3.665 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.547 17.571 -6.613 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.830 17.346 -4.884 1.00 0.00 H new ATOM 654 N ALA A 49 -0.991 15.915 -6.939 1.00 0.00 N ATOM 655 CA ALA A 49 -0.532 16.171 -5.579 1.00 0.00 C ATOM 656 C ALA A 49 0.684 17.091 -5.575 1.00 0.00 C ATOM 657 O ALA A 49 0.611 18.231 -5.117 1.00 0.00 O ATOM 658 CB ALA A 49 -0.207 14.861 -4.877 1.00 0.00 C ATOM 0 H ALA A 49 -0.657 15.038 -7.339 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.335 16.671 -5.038 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.135 15.067 -3.863 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.100 14.237 -4.840 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.578 14.339 -5.425 1.00 0.00 H new ATOM 664 N GLY A 50 1.803 16.589 -6.087 1.00 0.00 N ATOM 665 CA GLY A 50 3.019 17.379 -6.132 1.00 0.00 C ATOM 666 C GLY A 50 4.269 16.522 -6.106 1.00 0.00 C ATOM 667 O GLY A 50 4.209 15.304 -5.942 1.00 0.00 O ATOM 0 H GLY A 50 1.889 15.648 -6.472 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.019 17.989 -7.035 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.035 18.065 -5.285 1.00 0.00 H new ATOM 671 N PRO A 51 5.435 17.164 -6.272 1.00 0.00 N ATOM 672 CA PRO A 51 6.727 16.472 -6.272 1.00 0.00 C ATOM 673 C PRO A 51 7.102 15.944 -4.891 1.00 0.00 C ATOM 674 O PRO A 51 6.437 16.243 -3.900 1.00 0.00 O ATOM 675 CB PRO A 51 7.712 17.557 -6.716 1.00 0.00 C ATOM 676 CG PRO A 51 7.062 18.840 -6.326 1.00 0.00 C ATOM 677 CD PRO A 51 5.582 18.616 -6.473 1.00 0.00 C ATOM 0 HA PRO A 51 6.719 15.595 -6.919 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.679 17.438 -6.227 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.891 17.514 -7.790 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.316 19.110 -5.301 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.398 19.657 -6.964 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.015 19.183 -5.735 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.225 18.924 -7.456 1.00 0.00 H new ATOM 685 N GLY A 52 8.173 15.158 -4.834 1.00 0.00 N ATOM 686 CA GLY A 52 8.618 14.602 -3.569 1.00 0.00 C ATOM 687 C GLY A 52 9.222 13.221 -3.724 1.00 0.00 C ATOM 688 O GLY A 52 9.077 12.584 -4.768 1.00 0.00 O ATOM 0 H GLY A 52 8.740 14.896 -5.640 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.355 15.269 -3.121 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.774 14.551 -2.881 1.00 0.00 H new ATOM 692 N THR A 53 9.905 12.755 -2.682 1.00 0.00 N ATOM 693 CA THR A 53 10.536 11.442 -2.708 1.00 0.00 C ATOM 694 C THR A 53 9.494 10.330 -2.670 1.00 0.00 C ATOM 695 O THR A 53 8.824 10.127 -1.656 1.00 0.00 O ATOM 696 CB THR A 53 11.506 11.261 -1.524 1.00 0.00 C ATOM 697 OG1 THR A 53 12.642 12.117 -1.687 1.00 0.00 O ATOM 698 CG2 THR A 53 11.964 9.815 -1.416 1.00 0.00 C ATOM 0 H THR A 53 10.035 13.268 -1.810 1.00 0.00 H new ATOM 0 HA THR A 53 11.096 11.380 -3.641 1.00 0.00 H new ATOM 0 HB THR A 53 10.980 11.527 -0.607 1.00 0.00 H new ATOM 0 HG1 THR A 53 13.253 11.998 -0.930 1.00 0.00 H new ATOM 0 HG21 THR A 53 12.648 9.712 -0.573 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.099 9.170 -1.262 1.00 0.00 H new ATOM 0 HG23 THR A 53 12.474 9.525 -2.335 1.00 0.00 H new ATOM 706 N LEU A 54 9.362 9.612 -3.780 1.00 0.00 N ATOM 707 CA LEU A 54 8.400 8.518 -3.873 1.00 0.00 C ATOM 708 C LEU A 54 9.040 7.195 -3.467 1.00 0.00 C ATOM 709 O LEU A 54 9.994 6.736 -4.095 1.00 0.00 O ATOM 710 CB LEU A 54 7.851 8.417 -5.297 1.00 0.00 C ATOM 711 CG LEU A 54 7.092 7.133 -5.634 1.00 0.00 C ATOM 712 CD1 LEU A 54 8.053 5.962 -5.762 1.00 0.00 C ATOM 713 CD2 LEU A 54 6.036 6.845 -4.576 1.00 0.00 C ATOM 0 H LEU A 54 9.908 9.767 -4.627 1.00 0.00 H new ATOM 0 HA LEU A 54 7.579 8.728 -3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.187 9.264 -5.470 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.683 8.517 -5.994 1.00 0.00 H new ATOM 0 HG LEU A 54 6.591 7.271 -6.592 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.494 5.057 -6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.772 6.166 -6.556 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.583 5.822 -4.820 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.505 5.928 -4.832 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.517 6.728 -3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.329 7.673 -4.533 1.00 0.00 H new ATOM 725 N SER A 55 8.507 6.584 -2.413 1.00 0.00 N ATOM 726 CA SER A 55 9.027 5.314 -1.922 1.00 0.00 C ATOM 727 C SER A 55 7.926 4.258 -1.877 1.00 0.00 C ATOM 728 O SER A 55 6.783 4.550 -1.526 1.00 0.00 O ATOM 729 CB SER A 55 9.635 5.491 -0.529 1.00 0.00 C ATOM 730 OG SER A 55 11.001 5.860 -0.613 1.00 0.00 O ATOM 0 H SER A 55 7.715 6.949 -1.883 1.00 0.00 H new ATOM 0 HA SER A 55 9.803 4.978 -2.609 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.082 6.254 0.019 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.540 4.562 0.034 1.00 0.00 H new ATOM 0 HG SER A 55 11.367 5.969 0.290 1.00 0.00 H new ATOM 736 N VAL A 56 8.281 3.027 -2.236 1.00 0.00 N ATOM 737 CA VAL A 56 7.325 1.926 -2.236 1.00 0.00 C ATOM 738 C VAL A 56 7.788 0.797 -1.323 1.00 0.00 C ATOM 739 O VAL A 56 8.926 0.335 -1.415 1.00 0.00 O ATOM 740 CB VAL A 56 7.111 1.369 -3.656 1.00 0.00 C ATOM 741 CG1 VAL A 56 6.440 0.005 -3.599 1.00 0.00 C ATOM 742 CG2 VAL A 56 6.292 2.341 -4.492 1.00 0.00 C ATOM 0 H VAL A 56 9.223 2.768 -2.530 1.00 0.00 H new ATOM 0 HA VAL A 56 6.381 2.326 -1.865 1.00 0.00 H new ATOM 0 HB VAL A 56 8.085 1.249 -4.131 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.297 -0.373 -4.611 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.069 -0.687 -3.039 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.472 0.096 -3.106 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.151 1.931 -5.492 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.321 2.496 -4.023 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.817 3.294 -4.561 1.00 0.00 H new ATOM 752 N THR A 57 6.898 0.353 -0.441 1.00 0.00 N ATOM 753 CA THR A 57 7.214 -0.723 0.490 1.00 0.00 C ATOM 754 C THR A 57 5.988 -1.583 0.774 1.00 0.00 C ATOM 755 O THR A 57 4.874 -1.072 0.888 1.00 0.00 O ATOM 756 CB THR A 57 7.760 -0.171 1.821 1.00 0.00 C ATOM 757 OG1 THR A 57 8.846 0.727 1.570 1.00 0.00 O ATOM 758 CG2 THR A 57 8.229 -1.303 2.723 1.00 0.00 C ATOM 0 H THR A 57 5.952 0.723 -0.352 1.00 0.00 H new ATOM 0 HA THR A 57 7.981 -1.336 0.017 1.00 0.00 H new ATOM 0 HB THR A 57 6.956 0.365 2.325 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.186 1.075 2.421 1.00 0.00 H new ATOM 0 HG21 THR A 57 8.610 -0.890 3.657 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.393 -1.969 2.936 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.020 -1.862 2.224 1.00 0.00 H new ATOM 766 N ILE A 58 6.201 -2.890 0.886 1.00 0.00 N ATOM 767 CA ILE A 58 5.113 -3.820 1.158 1.00 0.00 C ATOM 768 C ILE A 58 5.513 -4.838 2.220 1.00 0.00 C ATOM 769 O ILE A 58 6.693 -5.142 2.389 1.00 0.00 O ATOM 770 CB ILE A 58 4.679 -4.568 -0.116 1.00 0.00 C ATOM 771 CG1 ILE A 58 4.299 -3.572 -1.214 1.00 0.00 C ATOM 772 CG2 ILE A 58 3.516 -5.500 0.187 1.00 0.00 C ATOM 773 CD1 ILE A 58 3.958 -4.227 -2.533 1.00 0.00 C ATOM 0 H ILE A 58 7.117 -3.328 0.792 1.00 0.00 H new ATOM 0 HA ILE A 58 4.275 -3.226 1.524 1.00 0.00 H new ATOM 0 HB ILE A 58 5.517 -5.168 -0.470 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.445 -2.983 -0.879 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.126 -2.878 -1.365 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.221 -6.021 -0.724 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.819 -6.228 0.940 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.673 -4.920 0.562 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.699 -3.461 -3.263 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.818 -4.793 -2.891 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.111 -4.900 -2.397 1.00 0.00 H new ATOM 785 N GLU A 59 4.521 -5.364 2.932 1.00 0.00 N ATOM 786 CA GLU A 59 4.770 -6.349 3.978 1.00 0.00 C ATOM 787 C GLU A 59 3.700 -7.437 3.967 1.00 0.00 C ATOM 788 O GLU A 59 2.537 -7.175 3.663 1.00 0.00 O ATOM 789 CB GLU A 59 4.811 -5.672 5.349 1.00 0.00 C ATOM 790 CG GLU A 59 5.543 -6.482 6.406 1.00 0.00 C ATOM 791 CD GLU A 59 5.235 -6.015 7.816 1.00 0.00 C ATOM 792 OE1 GLU A 59 4.200 -6.442 8.369 1.00 0.00 O ATOM 793 OE2 GLU A 59 6.028 -5.222 8.365 1.00 0.00 O ATOM 0 H GLU A 59 3.538 -5.124 2.803 1.00 0.00 H new ATOM 0 HA GLU A 59 5.737 -6.812 3.781 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.293 -4.699 5.250 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.790 -5.489 5.685 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.270 -7.533 6.307 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.617 -6.414 6.231 1.00 0.00 H new ATOM 800 N GLY A 60 4.102 -8.659 4.300 1.00 0.00 N ATOM 801 CA GLY A 60 3.167 -9.768 4.322 1.00 0.00 C ATOM 802 C GLY A 60 3.844 -11.093 4.613 1.00 0.00 C ATOM 803 O GLY A 60 5.067 -11.177 4.728 1.00 0.00 O ATOM 0 H GLY A 60 5.059 -8.901 4.555 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.404 -9.580 5.077 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.657 -9.828 3.361 1.00 0.00 H new ATOM 807 N PRO A 61 3.039 -12.158 4.739 1.00 0.00 N ATOM 808 CA PRO A 61 3.547 -13.504 5.021 1.00 0.00 C ATOM 809 C PRO A 61 4.309 -14.096 3.841 1.00 0.00 C ATOM 810 O PRO A 61 5.254 -14.864 4.022 1.00 0.00 O ATOM 811 CB PRO A 61 2.276 -14.312 5.296 1.00 0.00 C ATOM 812 CG PRO A 61 1.201 -13.588 4.562 1.00 0.00 C ATOM 813 CD PRO A 61 1.572 -12.132 4.614 1.00 0.00 C ATOM 0 HA PRO A 61 4.258 -13.506 5.847 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.375 -15.338 4.942 1.00 0.00 H new ATOM 0 HB3 PRO A 61 2.062 -14.362 6.364 1.00 0.00 H new ATOM 0 HG2 PRO A 61 1.130 -13.936 3.531 1.00 0.00 H new ATOM 0 HG3 PRO A 61 0.229 -13.760 5.024 1.00 0.00 H new ATOM 0 HD2 PRO A 61 1.255 -11.604 3.715 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.105 -11.628 5.461 1.00 0.00 H new ATOM 821 N SER A 62 3.892 -13.735 2.632 1.00 0.00 N ATOM 822 CA SER A 62 4.534 -14.233 1.421 1.00 0.00 C ATOM 823 C SER A 62 5.287 -13.115 0.706 1.00 0.00 C ATOM 824 O SER A 62 4.835 -11.971 0.668 1.00 0.00 O ATOM 825 CB SER A 62 3.493 -14.844 0.481 1.00 0.00 C ATOM 826 OG SER A 62 4.062 -15.874 -0.309 1.00 0.00 O ATOM 0 H SER A 62 3.112 -13.099 2.465 1.00 0.00 H new ATOM 0 HA SER A 62 5.250 -15.003 1.709 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.663 -15.244 1.063 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.083 -14.069 -0.167 1.00 0.00 H new ATOM 0 HG SER A 62 3.376 -16.250 -0.900 1.00 0.00 H new ATOM 832 N LYS A 63 6.440 -13.455 0.139 1.00 0.00 N ATOM 833 CA LYS A 63 7.258 -12.483 -0.576 1.00 0.00 C ATOM 834 C LYS A 63 6.770 -12.314 -2.012 1.00 0.00 C ATOM 835 O LYS A 63 6.841 -13.243 -2.816 1.00 0.00 O ATOM 836 CB LYS A 63 8.725 -12.919 -0.573 1.00 0.00 C ATOM 837 CG LYS A 63 9.703 -11.764 -0.699 1.00 0.00 C ATOM 838 CD LYS A 63 9.934 -11.385 -2.152 1.00 0.00 C ATOM 839 CE LYS A 63 11.007 -12.253 -2.790 1.00 0.00 C ATOM 840 NZ LYS A 63 10.436 -13.490 -3.391 1.00 0.00 N ATOM 0 H LYS A 63 6.829 -14.398 0.161 1.00 0.00 H new ATOM 0 HA LYS A 63 7.169 -11.524 -0.065 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.932 -13.461 0.350 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.890 -13.615 -1.395 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.321 -10.901 -0.153 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.652 -12.038 -0.238 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.003 -11.488 -2.709 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.228 -10.337 -2.214 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.526 -11.682 -3.560 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.749 -12.523 -2.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.886 -13.668 -4.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.611 -14.296 -2.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.411 -13.371 -3.524 1.00 0.00 H new ATOM 854 N VAL A 64 6.277 -11.121 -2.327 1.00 0.00 N ATOM 855 CA VAL A 64 5.780 -10.829 -3.667 1.00 0.00 C ATOM 856 C VAL A 64 6.700 -9.854 -4.393 1.00 0.00 C ATOM 857 O VAL A 64 7.471 -9.126 -3.767 1.00 0.00 O ATOM 858 CB VAL A 64 4.358 -10.240 -3.622 1.00 0.00 C ATOM 859 CG1 VAL A 64 3.385 -11.237 -3.011 1.00 0.00 C ATOM 860 CG2 VAL A 64 4.348 -8.930 -2.847 1.00 0.00 C ATOM 0 H VAL A 64 6.211 -10.341 -1.673 1.00 0.00 H new ATOM 0 HA VAL A 64 5.756 -11.774 -4.209 1.00 0.00 H new ATOM 0 HB VAL A 64 4.037 -10.035 -4.643 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.386 -10.803 -2.988 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.371 -12.147 -3.611 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.700 -11.477 -1.995 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.335 -8.528 -2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.690 -9.108 -1.827 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.012 -8.215 -3.333 1.00 0.00 H new ATOM 870 N LYS A 65 6.613 -9.844 -5.719 1.00 0.00 N ATOM 871 CA LYS A 65 7.435 -8.957 -6.533 1.00 0.00 C ATOM 872 C LYS A 65 6.631 -7.749 -7.005 1.00 0.00 C ATOM 873 O LYS A 65 5.435 -7.855 -7.273 1.00 0.00 O ATOM 874 CB LYS A 65 7.995 -9.712 -7.741 1.00 0.00 C ATOM 875 CG LYS A 65 6.923 -10.263 -8.665 1.00 0.00 C ATOM 876 CD LYS A 65 7.393 -11.519 -9.379 1.00 0.00 C ATOM 877 CE LYS A 65 8.264 -11.184 -10.580 1.00 0.00 C ATOM 878 NZ LYS A 65 7.537 -10.349 -11.577 1.00 0.00 N ATOM 0 H LYS A 65 5.981 -10.441 -6.253 1.00 0.00 H new ATOM 0 HA LYS A 65 8.262 -8.603 -5.917 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.643 -9.044 -8.308 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.617 -10.535 -7.388 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.025 -10.485 -8.089 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.651 -9.506 -9.400 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.954 -12.145 -8.685 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.529 -12.098 -9.705 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.156 -10.655 -10.245 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.599 -12.106 -11.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.778 -10.667 -12.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.512 -10.443 -11.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.813 -9.353 -11.463 1.00 0.00 H new ATOM 892 N MET A 66 7.297 -6.603 -7.105 1.00 0.00 N ATOM 893 CA MET A 66 6.643 -5.377 -7.547 1.00 0.00 C ATOM 894 C MET A 66 7.339 -4.803 -8.777 1.00 0.00 C ATOM 895 O MET A 66 8.410 -4.204 -8.674 1.00 0.00 O ATOM 896 CB MET A 66 6.639 -4.341 -6.420 1.00 0.00 C ATOM 897 CG MET A 66 6.156 -4.894 -5.089 1.00 0.00 C ATOM 898 SD MET A 66 7.471 -5.698 -4.153 1.00 0.00 S ATOM 899 CE MET A 66 8.134 -4.308 -3.238 1.00 0.00 C ATOM 0 H MET A 66 8.288 -6.498 -6.886 1.00 0.00 H new ATOM 0 HA MET A 66 5.614 -5.619 -7.813 1.00 0.00 H new ATOM 0 HB2 MET A 66 7.648 -3.947 -6.296 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.003 -3.504 -6.709 1.00 0.00 H new ATOM 0 HG2 MET A 66 5.735 -4.083 -4.494 1.00 0.00 H new ATOM 0 HG3 MET A 66 5.353 -5.609 -5.267 1.00 0.00 H new ATOM 0 HE1 MET A 66 8.958 -4.646 -2.610 1.00 0.00 H new ATOM 0 HE2 MET A 66 8.495 -3.552 -3.935 1.00 0.00 H new ATOM 0 HE3 MET A 66 7.352 -3.879 -2.611 1.00 0.00 H new ATOM 909 N ASP A 67 6.724 -4.991 -9.940 1.00 0.00 N ATOM 910 CA ASP A 67 7.284 -4.491 -11.190 1.00 0.00 C ATOM 911 C ASP A 67 7.010 -3.000 -11.351 1.00 0.00 C ATOM 912 O ASP A 67 5.908 -2.598 -11.727 1.00 0.00 O ATOM 913 CB ASP A 67 6.703 -5.261 -12.377 1.00 0.00 C ATOM 914 CG ASP A 67 6.525 -6.737 -12.080 1.00 0.00 C ATOM 915 OD1 ASP A 67 7.544 -7.457 -12.022 1.00 0.00 O ATOM 916 OD2 ASP A 67 5.368 -7.171 -11.904 1.00 0.00 O ATOM 0 H ASP A 67 5.838 -5.486 -10.043 1.00 0.00 H new ATOM 0 HA ASP A 67 8.363 -4.642 -11.162 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.740 -4.830 -12.649 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.360 -5.144 -13.239 1.00 0.00 H new ATOM 921 N CYS A 68 8.017 -2.183 -11.063 1.00 0.00 N ATOM 922 CA CYS A 68 7.884 -0.735 -11.174 1.00 0.00 C ATOM 923 C CYS A 68 7.826 -0.305 -12.636 1.00 0.00 C ATOM 924 O CYS A 68 8.534 -0.851 -13.481 1.00 0.00 O ATOM 925 CB CYS A 68 9.050 -0.039 -10.471 1.00 0.00 C ATOM 926 SG CYS A 68 10.648 -0.271 -11.285 1.00 0.00 S ATOM 0 H CYS A 68 8.935 -2.499 -10.751 1.00 0.00 H new ATOM 0 HA CYS A 68 6.952 -0.443 -10.691 1.00 0.00 H new ATOM 0 HB2 CYS A 68 8.838 1.028 -10.409 1.00 0.00 H new ATOM 0 HB3 CYS A 68 9.118 -0.411 -9.449 1.00 0.00 H new ATOM 0 HG CYS A 68 10.459 -0.690 -12.501 1.00 0.00 H new ATOM 932 N GLN A 69 6.978 0.676 -12.926 1.00 0.00 N ATOM 933 CA GLN A 69 6.826 1.178 -14.286 1.00 0.00 C ATOM 934 C GLN A 69 6.477 2.662 -14.284 1.00 0.00 C ATOM 935 O GLN A 69 5.978 3.190 -13.290 1.00 0.00 O ATOM 936 CB GLN A 69 5.744 0.389 -15.026 1.00 0.00 C ATOM 937 CG GLN A 69 5.837 0.499 -16.539 1.00 0.00 C ATOM 938 CD GLN A 69 5.141 -0.644 -17.251 1.00 0.00 C ATOM 939 OE1 GLN A 69 5.787 -1.569 -17.744 1.00 0.00 O ATOM 940 NE2 GLN A 69 3.816 -0.586 -17.310 1.00 0.00 N ATOM 0 H GLN A 69 6.385 1.139 -12.237 1.00 0.00 H new ATOM 0 HA GLN A 69 7.778 1.048 -14.802 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.813 -0.661 -14.742 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.764 0.742 -14.704 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.396 1.443 -16.859 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.886 0.521 -16.834 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.321 0.199 -16.888 1.00 0.00 H new ATOM 0 HE22 GLN A 69 3.293 -1.327 -17.778 1.00 0.00 H new ATOM 949 N GLU A 70 6.744 3.330 -15.402 1.00 0.00 N ATOM 950 CA GLU A 70 6.459 4.755 -15.527 1.00 0.00 C ATOM 951 C GLU A 70 5.028 4.983 -16.004 1.00 0.00 C ATOM 952 O GLU A 70 4.488 4.199 -16.785 1.00 0.00 O ATOM 953 CB GLU A 70 7.443 5.411 -16.497 1.00 0.00 C ATOM 954 CG GLU A 70 7.185 5.062 -17.954 1.00 0.00 C ATOM 955 CD GLU A 70 7.896 3.794 -18.385 1.00 0.00 C ATOM 956 OE1 GLU A 70 7.339 2.698 -18.168 1.00 0.00 O ATOM 957 OE2 GLU A 70 9.011 3.899 -18.939 1.00 0.00 O ATOM 0 H GLU A 70 7.157 2.908 -16.234 1.00 0.00 H new ATOM 0 HA GLU A 70 6.572 5.210 -14.543 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.392 6.493 -16.377 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.456 5.108 -16.233 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.113 4.944 -18.111 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.511 5.889 -18.585 1.00 0.00 H new ATOM 964 N THR A 71 4.417 6.064 -15.528 1.00 0.00 N ATOM 965 CA THR A 71 3.048 6.396 -15.904 1.00 0.00 C ATOM 966 C THR A 71 2.831 7.905 -15.909 1.00 0.00 C ATOM 967 O THR A 71 3.504 8.656 -15.203 1.00 0.00 O ATOM 968 CB THR A 71 2.030 5.745 -14.948 1.00 0.00 C ATOM 969 OG1 THR A 71 2.386 6.023 -13.590 1.00 0.00 O ATOM 970 CG2 THR A 71 1.970 4.241 -15.165 1.00 0.00 C ATOM 0 H THR A 71 4.849 6.724 -14.881 1.00 0.00 H new ATOM 0 HA THR A 71 2.892 6.006 -16.910 1.00 0.00 H new ATOM 0 HB THR A 71 1.047 6.166 -15.158 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.733 5.607 -12.989 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.245 3.803 -14.479 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.670 4.033 -16.192 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.953 3.807 -14.980 1.00 0.00 H new ATOM 978 N PRO A 72 1.867 8.361 -16.724 1.00 0.00 N ATOM 979 CA PRO A 72 1.538 9.785 -16.839 1.00 0.00 C ATOM 980 C PRO A 72 0.869 10.329 -15.582 1.00 0.00 C ATOM 981 O PRO A 72 0.723 11.540 -15.421 1.00 0.00 O ATOM 982 CB PRO A 72 0.568 9.829 -18.023 1.00 0.00 C ATOM 983 CG PRO A 72 -0.042 8.471 -18.064 1.00 0.00 C ATOM 984 CD PRO A 72 1.026 7.523 -17.593 1.00 0.00 C ATOM 0 HA PRO A 72 2.428 10.400 -16.975 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.190 10.600 -17.885 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.089 10.057 -18.953 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.921 8.419 -17.422 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.369 8.220 -19.073 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.602 6.679 -17.049 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.595 7.112 -18.427 1.00 0.00 H new ATOM 992 N GLU A 73 0.464 9.426 -14.694 1.00 0.00 N ATOM 993 CA GLU A 73 -0.190 9.818 -13.451 1.00 0.00 C ATOM 994 C GLU A 73 0.791 9.776 -12.283 1.00 0.00 C ATOM 995 O GLU A 73 0.514 10.303 -11.207 1.00 0.00 O ATOM 996 CB GLU A 73 -1.381 8.901 -13.165 1.00 0.00 C ATOM 997 CG GLU A 73 -2.453 9.546 -12.303 1.00 0.00 C ATOM 998 CD GLU A 73 -3.664 8.654 -12.113 1.00 0.00 C ATOM 999 OE1 GLU A 73 -3.478 7.441 -11.884 1.00 0.00 O ATOM 1000 OE2 GLU A 73 -4.799 9.170 -12.194 1.00 0.00 O ATOM 0 H GLU A 73 0.577 8.419 -14.812 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.548 10.841 -13.565 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.825 8.591 -14.111 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.023 7.998 -12.670 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.031 9.792 -11.328 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.766 10.484 -12.761 1.00 0.00 H new ATOM 1007 N GLY A 74 1.940 9.144 -12.505 1.00 0.00 N ATOM 1008 CA GLY A 74 2.945 9.043 -11.463 1.00 0.00 C ATOM 1009 C GLY A 74 3.749 7.762 -11.555 1.00 0.00 C ATOM 1010 O GLY A 74 4.665 7.653 -12.372 1.00 0.00 O ATOM 0 H GLY A 74 2.192 8.700 -13.388 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.619 9.897 -11.529 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.460 9.094 -10.488 1.00 0.00 H new ATOM 1014 N TYR A 75 3.410 6.791 -10.716 1.00 0.00 N ATOM 1015 CA TYR A 75 4.110 5.512 -10.703 1.00 0.00 C ATOM 1016 C TYR A 75 3.140 4.362 -10.448 1.00 0.00 C ATOM 1017 O TYR A 75 2.525 4.277 -9.385 1.00 0.00 O ATOM 1018 CB TYR A 75 5.205 5.517 -9.635 1.00 0.00 C ATOM 1019 CG TYR A 75 6.040 6.778 -9.629 1.00 0.00 C ATOM 1020 CD1 TYR A 75 7.109 6.930 -10.503 1.00 0.00 C ATOM 1021 CD2 TYR A 75 5.759 7.816 -8.750 1.00 0.00 C ATOM 1022 CE1 TYR A 75 7.875 8.080 -10.501 1.00 0.00 C ATOM 1023 CE2 TYR A 75 6.518 8.970 -8.742 1.00 0.00 C ATOM 1024 CZ TYR A 75 7.575 9.097 -9.619 1.00 0.00 C ATOM 1025 OH TYR A 75 8.335 10.244 -9.613 1.00 0.00 O ATOM 0 H TYR A 75 2.654 6.865 -10.035 1.00 0.00 H new ATOM 0 HA TYR A 75 4.567 5.367 -11.682 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.745 5.391 -8.655 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.859 4.659 -9.793 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.345 6.136 -11.196 1.00 0.00 H new ATOM 0 HD2 TYR A 75 4.933 7.719 -8.061 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.704 8.182 -11.186 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.285 9.768 -8.053 1.00 0.00 H new ATOM 0 HH TYR A 75 7.991 10.861 -8.934 1.00 0.00 H new ATOM 1035 N LYS A 76 3.010 3.478 -11.431 1.00 0.00 N ATOM 1036 CA LYS A 76 2.117 2.331 -11.315 1.00 0.00 C ATOM 1037 C LYS A 76 2.831 1.149 -10.666 1.00 0.00 C ATOM 1038 O LYS A 76 3.925 0.768 -11.082 1.00 0.00 O ATOM 1039 CB LYS A 76 1.591 1.927 -12.694 1.00 0.00 C ATOM 1040 CG LYS A 76 0.681 0.711 -12.666 1.00 0.00 C ATOM 1041 CD LYS A 76 0.538 0.089 -14.045 1.00 0.00 C ATOM 1042 CE LYS A 76 -0.517 -1.006 -14.056 1.00 0.00 C ATOM 1043 NZ LYS A 76 -0.681 -1.604 -15.410 1.00 0.00 N ATOM 0 H LYS A 76 3.512 3.534 -12.317 1.00 0.00 H new ATOM 0 HA LYS A 76 1.277 2.618 -10.682 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.048 2.767 -13.127 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.437 1.722 -13.350 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.081 -0.028 -11.972 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.302 0.999 -12.292 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.271 0.860 -14.767 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.496 -0.324 -14.360 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.239 -1.785 -13.346 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.470 -0.596 -13.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.672 -1.886 -15.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.417 -0.904 -16.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.068 -2.440 -15.497 1.00 0.00 H new ATOM 1057 N VAL A 77 2.205 0.572 -9.646 1.00 0.00 N ATOM 1058 CA VAL A 77 2.779 -0.568 -8.941 1.00 0.00 C ATOM 1059 C VAL A 77 1.849 -1.774 -8.998 1.00 0.00 C ATOM 1060 O VAL A 77 0.638 -1.646 -8.817 1.00 0.00 O ATOM 1061 CB VAL A 77 3.072 -0.227 -7.468 1.00 0.00 C ATOM 1062 CG1 VAL A 77 3.672 -1.428 -6.752 1.00 0.00 C ATOM 1063 CG2 VAL A 77 3.997 0.977 -7.374 1.00 0.00 C ATOM 0 H VAL A 77 1.299 0.876 -9.289 1.00 0.00 H new ATOM 0 HA VAL A 77 3.716 -0.812 -9.442 1.00 0.00 H new ATOM 0 HB VAL A 77 2.132 0.027 -6.977 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.873 -1.169 -5.712 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.971 -2.262 -6.789 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.603 -1.715 -7.241 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.193 1.204 -6.326 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.937 0.754 -7.879 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.525 1.837 -7.849 1.00 0.00 H new ATOM 1073 N MET A 78 2.423 -2.946 -9.249 1.00 0.00 N ATOM 1074 CA MET A 78 1.644 -4.177 -9.327 1.00 0.00 C ATOM 1075 C MET A 78 2.242 -5.256 -8.430 1.00 0.00 C ATOM 1076 O MET A 78 3.454 -5.299 -8.218 1.00 0.00 O ATOM 1077 CB MET A 78 1.582 -4.675 -10.772 1.00 0.00 C ATOM 1078 CG MET A 78 1.146 -3.609 -11.764 1.00 0.00 C ATOM 1079 SD MET A 78 1.858 -3.853 -13.403 1.00 0.00 S ATOM 1080 CE MET A 78 3.493 -3.160 -13.169 1.00 0.00 C ATOM 0 H MET A 78 3.424 -3.070 -9.402 1.00 0.00 H new ATOM 0 HA MET A 78 0.633 -3.961 -8.981 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.564 -5.049 -11.061 1.00 0.00 H new ATOM 0 HB3 MET A 78 0.891 -5.516 -10.828 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.059 -3.612 -11.840 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.436 -2.628 -11.388 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.140 -3.469 -13.990 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.427 -2.072 -13.148 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.908 -3.517 -12.226 1.00 0.00 H new ATOM 1090 N TYR A 79 1.385 -6.124 -7.906 1.00 0.00 N ATOM 1091 CA TYR A 79 1.829 -7.202 -7.029 1.00 0.00 C ATOM 1092 C TYR A 79 0.834 -8.358 -7.041 1.00 0.00 C ATOM 1093 O TYR A 79 -0.378 -8.152 -6.967 1.00 0.00 O ATOM 1094 CB TYR A 79 2.009 -6.685 -5.601 1.00 0.00 C ATOM 1095 CG TYR A 79 0.719 -6.614 -4.815 1.00 0.00 C ATOM 1096 CD1 TYR A 79 0.220 -7.733 -4.160 1.00 0.00 C ATOM 1097 CD2 TYR A 79 0.000 -5.429 -4.728 1.00 0.00 C ATOM 1098 CE1 TYR A 79 -0.958 -7.673 -3.441 1.00 0.00 C ATOM 1099 CE2 TYR A 79 -1.179 -5.359 -4.011 1.00 0.00 C ATOM 1100 CZ TYR A 79 -1.654 -6.484 -3.369 1.00 0.00 C ATOM 1101 OH TYR A 79 -2.828 -6.420 -2.654 1.00 0.00 O ATOM 0 H TYR A 79 0.379 -6.103 -8.073 1.00 0.00 H new ATOM 0 HA TYR A 79 2.787 -7.566 -7.400 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.710 -7.333 -5.075 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.458 -5.692 -5.637 1.00 0.00 H new ATOM 0 HD1 TYR A 79 0.762 -8.665 -4.214 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.369 -4.547 -5.230 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -1.332 -8.552 -2.938 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.725 -4.429 -3.953 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.349 -5.645 -2.950 1.00 0.00 H new ATOM 1111 N THR A 80 1.355 -9.578 -7.133 1.00 0.00 N ATOM 1112 CA THR A 80 0.515 -10.769 -7.156 1.00 0.00 C ATOM 1113 C THR A 80 0.847 -11.698 -5.993 1.00 0.00 C ATOM 1114 O THR A 80 1.820 -12.451 -6.028 1.00 0.00 O ATOM 1115 CB THR A 80 0.672 -11.543 -8.478 1.00 0.00 C ATOM 1116 OG1 THR A 80 0.576 -10.643 -9.587 1.00 0.00 O ATOM 1117 CG2 THR A 80 -0.391 -12.624 -8.602 1.00 0.00 C ATOM 0 H THR A 80 2.356 -9.767 -7.193 1.00 0.00 H new ATOM 0 HA THR A 80 -0.517 -10.430 -7.064 1.00 0.00 H new ATOM 0 HB THR A 80 1.653 -12.018 -8.481 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.679 -11.143 -10.424 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.260 -13.157 -9.544 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.296 -13.324 -7.772 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.380 -12.166 -8.579 1.00 0.00 H new ATOM 1125 N PRO A 81 0.020 -11.646 -4.938 1.00 0.00 N ATOM 1126 CA PRO A 81 0.205 -12.477 -3.746 1.00 0.00 C ATOM 1127 C PRO A 81 -0.076 -13.951 -4.017 1.00 0.00 C ATOM 1128 O PRO A 81 -1.141 -14.307 -4.519 1.00 0.00 O ATOM 1129 CB PRO A 81 -0.817 -11.912 -2.756 1.00 0.00 C ATOM 1130 CG PRO A 81 -1.869 -11.294 -3.611 1.00 0.00 C ATOM 1131 CD PRO A 81 -1.160 -10.771 -4.829 1.00 0.00 C ATOM 0 HA PRO A 81 1.233 -12.445 -3.384 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -1.231 -12.697 -2.123 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -0.362 -11.176 -2.094 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.628 -12.026 -3.886 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.379 -10.490 -3.081 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.789 -10.832 -5.717 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -0.876 -9.725 -4.711 1.00 0.00 H new ATOM 1139 N MET A 82 0.887 -14.804 -3.682 1.00 0.00 N ATOM 1140 CA MET A 82 0.741 -16.240 -3.889 1.00 0.00 C ATOM 1141 C MET A 82 -0.108 -16.865 -2.787 1.00 0.00 C ATOM 1142 O MET A 82 -0.841 -17.825 -3.024 1.00 0.00 O ATOM 1143 CB MET A 82 2.115 -16.913 -3.933 1.00 0.00 C ATOM 1144 CG MET A 82 2.139 -18.191 -4.756 1.00 0.00 C ATOM 1145 SD MET A 82 3.775 -18.947 -4.815 1.00 0.00 S ATOM 1146 CE MET A 82 4.041 -19.040 -6.584 1.00 0.00 C ATOM 0 H MET A 82 1.776 -14.526 -3.266 1.00 0.00 H new ATOM 0 HA MET A 82 0.237 -16.394 -4.843 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.841 -16.212 -4.344 1.00 0.00 H new ATOM 0 HB3 MET A 82 2.432 -17.140 -2.915 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.429 -18.903 -4.336 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.807 -17.972 -5.771 1.00 0.00 H new ATOM 0 HE1 MET A 82 5.015 -19.487 -6.782 1.00 0.00 H new ATOM 0 HE2 MET A 82 3.261 -19.652 -7.037 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.009 -18.037 -7.010 1.00 0.00 H new ATOM 1156 N ALA A 83 -0.005 -16.313 -1.582 1.00 0.00 N ATOM 1157 CA ALA A 83 -0.765 -16.816 -0.444 1.00 0.00 C ATOM 1158 C ALA A 83 -1.582 -15.703 0.204 1.00 0.00 C ATOM 1159 O ALA A 83 -1.171 -14.544 0.250 1.00 0.00 O ATOM 1160 CB ALA A 83 0.168 -17.451 0.575 1.00 0.00 C ATOM 0 H ALA A 83 0.597 -15.518 -1.369 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.457 -17.575 -0.807 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.413 -17.822 1.419 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.704 -18.279 0.111 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.883 -16.707 0.926 1.00 0.00 H new ATOM 1166 N PRO A 84 -2.768 -16.062 0.718 1.00 0.00 N ATOM 1167 CA PRO A 84 -3.668 -15.107 1.373 1.00 0.00 C ATOM 1168 C PRO A 84 -3.123 -14.624 2.713 1.00 0.00 C ATOM 1169 O PRO A 84 -2.042 -15.029 3.138 1.00 0.00 O ATOM 1170 CB PRO A 84 -4.952 -15.914 1.578 1.00 0.00 C ATOM 1171 CG PRO A 84 -4.505 -17.334 1.624 1.00 0.00 C ATOM 1172 CD PRO A 84 -3.322 -17.426 0.699 1.00 0.00 C ATOM 0 HA PRO A 84 -3.806 -14.203 0.779 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.456 -15.628 2.501 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.658 -15.748 0.764 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -4.231 -17.624 2.638 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -5.303 -18.005 1.305 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -2.595 -18.160 1.048 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -3.620 -17.725 -0.306 1.00 0.00 H new ATOM 1180 N GLY A 85 -3.880 -13.754 3.375 1.00 0.00 N ATOM 1181 CA GLY A 85 -3.457 -13.229 4.660 1.00 0.00 C ATOM 1182 C GLY A 85 -3.697 -11.738 4.786 1.00 0.00 C ATOM 1183 O GLY A 85 -4.716 -11.226 4.325 1.00 0.00 O ATOM 0 H GLY A 85 -4.779 -13.403 3.044 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.992 -13.748 5.455 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.396 -13.436 4.802 1.00 0.00 H new ATOM 1187 N ASN A 86 -2.756 -11.039 5.412 1.00 0.00 N ATOM 1188 CA ASN A 86 -2.871 -9.598 5.599 1.00 0.00 C ATOM 1189 C ASN A 86 -1.583 -8.891 5.189 1.00 0.00 C ATOM 1190 O ASN A 86 -0.542 -9.058 5.825 1.00 0.00 O ATOM 1191 CB ASN A 86 -3.200 -9.276 7.058 1.00 0.00 C ATOM 1192 CG ASN A 86 -2.378 -10.099 8.031 1.00 0.00 C ATOM 1193 OD1 ASN A 86 -1.150 -10.125 7.956 1.00 0.00 O ATOM 1194 ND2 ASN A 86 -3.054 -10.777 8.951 1.00 0.00 N ATOM 0 H ASN A 86 -1.905 -11.448 5.798 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.680 -9.239 4.963 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.023 -8.216 7.242 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.260 -9.458 7.237 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.555 -11.349 9.633 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -4.072 -10.726 8.976 1.00 0.00 H new ATOM 1201 N TYR A 87 -1.661 -8.102 4.124 1.00 0.00 N ATOM 1202 CA TYR A 87 -0.501 -7.371 3.627 1.00 0.00 C ATOM 1203 C TYR A 87 -0.572 -5.900 4.026 1.00 0.00 C ATOM 1204 O TYR A 87 -1.626 -5.403 4.427 1.00 0.00 O ATOM 1205 CB TYR A 87 -0.407 -7.494 2.106 1.00 0.00 C ATOM 1206 CG TYR A 87 -0.019 -8.877 1.633 1.00 0.00 C ATOM 1207 CD1 TYR A 87 -0.788 -9.986 1.963 1.00 0.00 C ATOM 1208 CD2 TYR A 87 1.116 -9.074 0.856 1.00 0.00 C ATOM 1209 CE1 TYR A 87 -0.437 -11.252 1.534 1.00 0.00 C ATOM 1210 CE2 TYR A 87 1.473 -10.336 0.422 1.00 0.00 C ATOM 1211 CZ TYR A 87 0.694 -11.421 0.763 1.00 0.00 C ATOM 1212 OH TYR A 87 1.048 -12.680 0.334 1.00 0.00 O ATOM 0 H TYR A 87 -2.515 -7.952 3.588 1.00 0.00 H new ATOM 0 HA TYR A 87 0.391 -7.808 4.076 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -1.368 -7.226 1.668 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.323 -6.774 1.736 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -1.675 -9.857 2.565 1.00 0.00 H new ATOM 0 HD2 TYR A 87 1.729 -8.227 0.587 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -1.045 -12.104 1.801 1.00 0.00 H new ATOM 0 HE2 TYR A 87 2.358 -10.472 -0.182 1.00 0.00 H new ATOM 0 HH TYR A 87 0.257 -13.259 0.329 1.00 0.00 H new ATOM 1222 N LEU A 88 0.556 -5.208 3.913 1.00 0.00 N ATOM 1223 CA LEU A 88 0.624 -3.793 4.261 1.00 0.00 C ATOM 1224 C LEU A 88 1.435 -3.017 3.228 1.00 0.00 C ATOM 1225 O LEU A 88 2.413 -3.527 2.681 1.00 0.00 O ATOM 1226 CB LEU A 88 1.243 -3.618 5.649 1.00 0.00 C ATOM 1227 CG LEU A 88 0.966 -2.284 6.344 1.00 0.00 C ATOM 1228 CD1 LEU A 88 -0.430 -2.276 6.946 1.00 0.00 C ATOM 1229 CD2 LEU A 88 2.012 -2.014 7.416 1.00 0.00 C ATOM 0 H LEU A 88 1.436 -5.604 3.583 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.391 -3.397 4.271 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.880 -4.421 6.290 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.322 -3.742 5.562 1.00 0.00 H new ATOM 0 HG LEU A 88 1.023 -1.490 5.600 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.609 -1.319 7.436 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.167 -2.423 6.157 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.516 -3.080 7.677 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.799 -1.061 7.900 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.986 -2.812 8.158 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.001 -1.976 6.958 1.00 0.00 H new ATOM 1241 N ILE A 89 1.023 -1.781 2.968 1.00 0.00 N ATOM 1242 CA ILE A 89 1.713 -0.933 2.004 1.00 0.00 C ATOM 1243 C ILE A 89 1.970 0.456 2.577 1.00 0.00 C ATOM 1244 O ILE A 89 1.034 1.194 2.888 1.00 0.00 O ATOM 1245 CB ILE A 89 0.908 -0.796 0.697 1.00 0.00 C ATOM 1246 CG1 ILE A 89 0.594 -2.177 0.119 1.00 0.00 C ATOM 1247 CG2 ILE A 89 1.676 0.044 -0.312 1.00 0.00 C ATOM 1248 CD1 ILE A 89 -0.653 -2.204 -0.737 1.00 0.00 C ATOM 0 H ILE A 89 0.215 -1.344 3.411 1.00 0.00 H new ATOM 0 HA ILE A 89 2.666 -1.415 1.786 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.033 -0.293 0.918 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.442 -2.514 -0.478 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.478 -2.887 0.938 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.095 0.132 -1.230 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.854 1.037 0.101 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.631 -0.434 -0.532 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.814 -3.214 -1.113 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.511 -1.898 -0.139 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.533 -1.519 -1.576 1.00 0.00 H new ATOM 1260 N SER A 90 3.244 0.808 2.714 1.00 0.00 N ATOM 1261 CA SER A 90 3.625 2.108 3.252 1.00 0.00 C ATOM 1262 C SER A 90 4.154 3.019 2.149 1.00 0.00 C ATOM 1263 O SER A 90 5.093 2.668 1.434 1.00 0.00 O ATOM 1264 CB SER A 90 4.685 1.942 4.343 1.00 0.00 C ATOM 1265 OG SER A 90 4.169 1.223 5.450 1.00 0.00 O ATOM 0 H SER A 90 4.030 0.210 2.460 1.00 0.00 H new ATOM 0 HA SER A 90 2.737 2.568 3.685 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.551 1.419 3.937 1.00 0.00 H new ATOM 0 HB3 SER A 90 5.030 2.922 4.671 1.00 0.00 H new ATOM 0 HG SER A 90 4.866 1.129 6.133 1.00 0.00 H new ATOM 1271 N VAL A 91 3.543 4.193 2.016 1.00 0.00 N ATOM 1272 CA VAL A 91 3.952 5.156 1.000 1.00 0.00 C ATOM 1273 C VAL A 91 4.405 6.466 1.636 1.00 0.00 C ATOM 1274 O VAL A 91 3.642 7.119 2.348 1.00 0.00 O ATOM 1275 CB VAL A 91 2.808 5.447 0.010 1.00 0.00 C ATOM 1276 CG1 VAL A 91 3.210 6.546 -0.962 1.00 0.00 C ATOM 1277 CG2 VAL A 91 2.416 4.181 -0.736 1.00 0.00 C ATOM 0 H VAL A 91 2.764 4.499 2.599 1.00 0.00 H new ATOM 0 HA VAL A 91 4.786 4.711 0.458 1.00 0.00 H new ATOM 0 HB VAL A 91 1.941 5.793 0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.390 6.738 -1.654 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.438 7.456 -0.408 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.091 6.232 -1.522 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.607 4.404 -1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.276 3.804 -1.289 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.084 3.426 -0.023 1.00 0.00 H new ATOM 1287 N LYS A 92 5.651 6.844 1.374 1.00 0.00 N ATOM 1288 CA LYS A 92 6.207 8.077 1.918 1.00 0.00 C ATOM 1289 C LYS A 92 6.487 9.085 0.807 1.00 0.00 C ATOM 1290 O LYS A 92 6.963 8.721 -0.268 1.00 0.00 O ATOM 1291 CB LYS A 92 7.495 7.783 2.690 1.00 0.00 C ATOM 1292 CG LYS A 92 7.261 7.087 4.020 1.00 0.00 C ATOM 1293 CD LYS A 92 8.561 6.885 4.780 1.00 0.00 C ATOM 1294 CE LYS A 92 8.450 5.747 5.783 1.00 0.00 C ATOM 1295 NZ LYS A 92 9.357 5.944 6.948 1.00 0.00 N ATOM 0 H LYS A 92 6.296 6.314 0.788 1.00 0.00 H new ATOM 0 HA LYS A 92 5.473 8.507 2.599 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.145 7.162 2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.024 8.719 2.867 1.00 0.00 H new ATOM 0 HG2 LYS A 92 6.573 7.678 4.625 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.785 6.121 3.848 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.366 6.674 4.076 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.826 7.805 5.300 1.00 0.00 H new ATOM 0 HE2 LYS A 92 7.421 5.671 6.133 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.690 4.804 5.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 9.252 5.148 7.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.342 5.992 6.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.112 6.831 7.433 1.00 0.00 H new ATOM 1309 N TYR A 93 6.189 10.351 1.075 1.00 0.00 N ATOM 1310 CA TYR A 93 6.408 11.411 0.098 1.00 0.00 C ATOM 1311 C TYR A 93 7.147 12.588 0.727 1.00 0.00 C ATOM 1312 O TYR A 93 6.619 13.269 1.606 1.00 0.00 O ATOM 1313 CB TYR A 93 5.073 11.883 -0.481 1.00 0.00 C ATOM 1314 CG TYR A 93 4.646 11.122 -1.716 1.00 0.00 C ATOM 1315 CD1 TYR A 93 4.459 9.745 -1.677 1.00 0.00 C ATOM 1316 CD2 TYR A 93 4.431 11.779 -2.921 1.00 0.00 C ATOM 1317 CE1 TYR A 93 4.070 9.046 -2.803 1.00 0.00 C ATOM 1318 CE2 TYR A 93 4.040 11.087 -4.051 1.00 0.00 C ATOM 1319 CZ TYR A 93 3.861 9.721 -3.987 1.00 0.00 C ATOM 1320 OH TYR A 93 3.473 9.029 -5.112 1.00 0.00 O ATOM 0 H TYR A 93 5.795 10.669 1.961 1.00 0.00 H new ATOM 0 HA TYR A 93 7.023 11.008 -0.706 1.00 0.00 H new ATOM 0 HB2 TYR A 93 4.301 11.784 0.282 1.00 0.00 H new ATOM 0 HB3 TYR A 93 5.147 12.943 -0.725 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.621 9.213 -0.751 1.00 0.00 H new ATOM 0 HD2 TYR A 93 4.572 12.848 -2.975 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.930 7.976 -2.756 1.00 0.00 H new ATOM 0 HE2 TYR A 93 3.875 11.613 -4.980 1.00 0.00 H new ATOM 0 HH TYR A 93 4.051 9.276 -5.864 1.00 0.00 H new ATOM 1330 N GLY A 94 8.373 12.823 0.269 1.00 0.00 N ATOM 1331 CA GLY A 94 9.165 13.918 0.796 1.00 0.00 C ATOM 1332 C GLY A 94 9.206 13.927 2.312 1.00 0.00 C ATOM 1333 O GLY A 94 8.617 14.797 2.951 1.00 0.00 O ATOM 0 H GLY A 94 8.832 12.274 -0.458 1.00 0.00 H new ATOM 0 HA2 GLY A 94 10.181 13.847 0.409 1.00 0.00 H new ATOM 0 HA3 GLY A 94 8.754 14.863 0.441 1.00 0.00 H new ATOM 1337 N GLY A 95 9.903 12.952 2.889 1.00 0.00 N ATOM 1338 CA GLY A 95 10.005 12.869 4.334 1.00 0.00 C ATOM 1339 C GLY A 95 9.276 11.665 4.897 1.00 0.00 C ATOM 1340 O GLY A 95 8.640 10.901 4.170 1.00 0.00 O ATOM 0 H GLY A 95 10.398 12.219 2.381 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.056 12.820 4.619 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.597 13.777 4.777 1.00 0.00 H new ATOM 1344 N PRO A 96 9.365 11.481 6.223 1.00 0.00 N ATOM 1345 CA PRO A 96 8.717 10.362 6.912 1.00 0.00 C ATOM 1346 C PRO A 96 7.198 10.497 6.935 1.00 0.00 C ATOM 1347 O PRO A 96 6.476 9.510 6.802 1.00 0.00 O ATOM 1348 CB PRO A 96 9.282 10.444 8.332 1.00 0.00 C ATOM 1349 CG PRO A 96 9.663 11.874 8.506 1.00 0.00 C ATOM 1350 CD PRO A 96 10.107 12.352 7.151 1.00 0.00 C ATOM 0 HA PRO A 96 8.911 9.411 6.416 1.00 0.00 H new ATOM 0 HB2 PRO A 96 8.541 10.139 9.071 1.00 0.00 H new ATOM 0 HB3 PRO A 96 10.143 9.787 8.454 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.820 12.461 8.870 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.464 11.978 9.238 1.00 0.00 H new ATOM 0 HD2 PRO A 96 9.865 13.403 6.996 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.185 12.251 7.022 1.00 0.00 H new ATOM 1358 N ASN A 97 6.720 11.726 7.104 1.00 0.00 N ATOM 1359 CA ASN A 97 5.286 11.989 7.144 1.00 0.00 C ATOM 1360 C ASN A 97 4.568 11.262 6.012 1.00 0.00 C ATOM 1361 O ASN A 97 4.695 11.630 4.843 1.00 0.00 O ATOM 1362 CB ASN A 97 5.021 13.493 7.049 1.00 0.00 C ATOM 1363 CG ASN A 97 5.831 14.288 8.054 1.00 0.00 C ATOM 1364 OD1 ASN A 97 7.047 14.128 8.153 1.00 0.00 O ATOM 1365 ND2 ASN A 97 5.158 15.151 8.807 1.00 0.00 N ATOM 0 H ASN A 97 7.304 12.555 7.215 1.00 0.00 H new ATOM 0 HA ASN A 97 4.899 11.617 8.093 1.00 0.00 H new ATOM 0 HB2 ASN A 97 5.257 13.838 6.042 1.00 0.00 H new ATOM 0 HB3 ASN A 97 3.960 13.683 7.210 1.00 0.00 H new ATOM 0 HD21 ASN A 97 5.650 15.714 9.501 1.00 0.00 H new ATOM 0 HD22 ASN A 97 4.150 15.251 8.691 1.00 0.00 H new ATOM 1372 N HIS A 98 3.811 10.228 6.366 1.00 0.00 N ATOM 1373 CA HIS A 98 3.071 9.449 5.380 1.00 0.00 C ATOM 1374 C HIS A 98 1.897 10.251 4.825 1.00 0.00 C ATOM 1375 O HIS A 98 1.554 11.311 5.349 1.00 0.00 O ATOM 1376 CB HIS A 98 2.564 8.148 6.003 1.00 0.00 C ATOM 1377 CG HIS A 98 2.002 8.321 7.380 1.00 0.00 C ATOM 1378 ND1 HIS A 98 0.650 8.402 7.637 1.00 0.00 N ATOM 1379 CD2 HIS A 98 2.618 8.429 8.581 1.00 0.00 C ATOM 1380 CE1 HIS A 98 0.458 8.553 8.935 1.00 0.00 C ATOM 1381 NE2 HIS A 98 1.637 8.572 9.531 1.00 0.00 N ATOM 0 H HIS A 98 3.694 9.910 7.328 1.00 0.00 H new ATOM 0 HA HIS A 98 3.747 9.211 4.559 1.00 0.00 H new ATOM 0 HB2 HIS A 98 1.796 7.721 5.358 1.00 0.00 H new ATOM 0 HB3 HIS A 98 3.383 7.430 6.042 1.00 0.00 H new ATOM 0 HD2 HIS A 98 3.683 8.407 8.759 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -0.500 8.645 9.426 1.00 0.00 H new ATOM 0 HE2 HIS A 98 1.793 8.676 10.534 1.00 0.00 H new ATOM 1389 N ILE A 99 1.288 9.738 3.761 1.00 0.00 N ATOM 1390 CA ILE A 99 0.154 10.406 3.135 1.00 0.00 C ATOM 1391 C ILE A 99 -1.142 10.106 3.882 1.00 0.00 C ATOM 1392 O ILE A 99 -1.146 9.368 4.867 1.00 0.00 O ATOM 1393 CB ILE A 99 -0.006 9.984 1.663 1.00 0.00 C ATOM 1394 CG1 ILE A 99 -0.413 8.512 1.573 1.00 0.00 C ATOM 1395 CG2 ILE A 99 1.286 10.230 0.898 1.00 0.00 C ATOM 1396 CD1 ILE A 99 -1.098 8.153 0.272 1.00 0.00 C ATOM 0 H ILE A 99 1.561 8.862 3.315 1.00 0.00 H new ATOM 0 HA ILE A 99 0.356 11.476 3.178 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.793 10.587 1.211 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.474 7.890 1.691 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -1.080 8.276 2.402 1.00 0.00 H new ATOM 0 HG21 ILE A 99 1.157 9.927 -0.141 1.00 0.00 H new ATOM 0 HG22 ILE A 99 1.536 11.290 0.938 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.091 9.650 1.348 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.358 7.095 0.278 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.004 8.749 0.161 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -0.426 8.357 -0.561 1.00 0.00 H new ATOM 1408 N VAL A 100 -2.241 10.682 3.405 1.00 0.00 N ATOM 1409 CA VAL A 100 -3.544 10.475 4.025 1.00 0.00 C ATOM 1410 C VAL A 100 -4.052 9.059 3.775 1.00 0.00 C ATOM 1411 O VAL A 100 -3.922 8.527 2.673 1.00 0.00 O ATOM 1412 CB VAL A 100 -4.583 11.482 3.498 1.00 0.00 C ATOM 1413 CG1 VAL A 100 -5.994 11.005 3.808 1.00 0.00 C ATOM 1414 CG2 VAL A 100 -4.335 12.861 4.090 1.00 0.00 C ATOM 0 H VAL A 100 -2.255 11.296 2.591 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.413 10.627 5.096 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.479 11.552 2.415 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -6.715 11.729 3.428 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.165 10.039 3.332 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -6.115 10.904 4.887 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.078 13.560 3.707 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.411 12.810 5.176 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -3.338 13.203 3.812 1.00 0.00 H new ATOM 1424 N GLY A 101 -4.632 8.453 4.807 1.00 0.00 N ATOM 1425 CA GLY A 101 -5.152 7.105 4.679 1.00 0.00 C ATOM 1426 C GLY A 101 -4.146 6.053 5.104 1.00 0.00 C ATOM 1427 O GLY A 101 -4.448 5.196 5.935 1.00 0.00 O ATOM 0 H GLY A 101 -4.751 8.872 5.729 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.053 7.007 5.285 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.443 6.928 3.644 1.00 0.00 H new ATOM 1431 N SER A 102 -2.948 6.117 4.532 1.00 0.00 N ATOM 1432 CA SER A 102 -1.896 5.159 4.853 1.00 0.00 C ATOM 1433 C SER A 102 -1.644 5.112 6.357 1.00 0.00 C ATOM 1434 O SER A 102 -1.969 6.042 7.096 1.00 0.00 O ATOM 1435 CB SER A 102 -0.604 5.524 4.119 1.00 0.00 C ATOM 1436 OG SER A 102 -0.587 4.975 2.812 1.00 0.00 O ATOM 0 H SER A 102 -2.682 6.822 3.844 1.00 0.00 H new ATOM 0 HA SER A 102 -2.225 4.172 4.527 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.508 6.608 4.063 1.00 0.00 H new ATOM 0 HB3 SER A 102 0.254 5.157 4.682 1.00 0.00 H new ATOM 0 HG SER A 102 -1.479 5.051 2.413 1.00 0.00 H new ATOM 1442 N PRO A 103 -1.051 4.003 6.822 1.00 0.00 N ATOM 1443 CA PRO A 103 -0.660 2.890 5.952 1.00 0.00 C ATOM 1444 C PRO A 103 -1.864 2.133 5.403 1.00 0.00 C ATOM 1445 O PRO A 103 -2.905 2.046 6.054 1.00 0.00 O ATOM 1446 CB PRO A 103 0.162 1.988 6.877 1.00 0.00 C ATOM 1447 CG PRO A 103 -0.338 2.294 8.246 1.00 0.00 C ATOM 1448 CD PRO A 103 -0.716 3.750 8.233 1.00 0.00 C ATOM 0 HA PRO A 103 -0.114 3.233 5.073 1.00 0.00 H new ATOM 0 HB2 PRO A 103 0.022 0.936 6.630 1.00 0.00 H new ATOM 0 HB3 PRO A 103 1.228 2.197 6.789 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -1.196 1.670 8.497 1.00 0.00 H new ATOM 0 HG3 PRO A 103 0.429 2.097 8.995 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -1.563 3.951 8.889 1.00 0.00 H new ATOM 0 HD3 PRO A 103 0.106 4.382 8.570 1.00 0.00 H new ATOM 1456 N PHE A 104 -1.716 1.586 4.201 1.00 0.00 N ATOM 1457 CA PHE A 104 -2.792 0.836 3.564 1.00 0.00 C ATOM 1458 C PHE A 104 -2.745 -0.634 3.969 1.00 0.00 C ATOM 1459 O PHE A 104 -1.742 -1.316 3.760 1.00 0.00 O ATOM 1460 CB PHE A 104 -2.697 0.960 2.041 1.00 0.00 C ATOM 1461 CG PHE A 104 -2.775 2.377 1.549 1.00 0.00 C ATOM 1462 CD1 PHE A 104 -3.929 3.123 1.727 1.00 0.00 C ATOM 1463 CD2 PHE A 104 -1.695 2.963 0.910 1.00 0.00 C ATOM 1464 CE1 PHE A 104 -4.004 4.427 1.274 1.00 0.00 C ATOM 1465 CE2 PHE A 104 -1.764 4.267 0.455 1.00 0.00 C ATOM 1466 CZ PHE A 104 -2.920 5.000 0.639 1.00 0.00 C ATOM 0 H PHE A 104 -0.861 1.648 3.648 1.00 0.00 H new ATOM 0 HA PHE A 104 -3.741 1.256 3.898 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -1.758 0.519 1.706 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -3.501 0.381 1.586 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -4.779 2.681 2.225 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -0.788 2.395 0.765 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -4.910 4.997 1.417 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -0.915 4.712 -0.043 1.00 0.00 H new ATOM 0 HZ PHE A 104 -2.976 6.019 0.287 1.00 0.00 H new ATOM 1476 N LYS A 105 -3.838 -1.116 4.552 1.00 0.00 N ATOM 1477 CA LYS A 105 -3.925 -2.505 4.987 1.00 0.00 C ATOM 1478 C LYS A 105 -4.926 -3.280 4.137 1.00 0.00 C ATOM 1479 O LYS A 105 -6.137 -3.133 4.299 1.00 0.00 O ATOM 1480 CB LYS A 105 -4.330 -2.574 6.461 1.00 0.00 C ATOM 1481 CG LYS A 105 -5.306 -1.487 6.876 1.00 0.00 C ATOM 1482 CD LYS A 105 -6.116 -1.899 8.093 1.00 0.00 C ATOM 1483 CE LYS A 105 -5.302 -1.775 9.372 1.00 0.00 C ATOM 1484 NZ LYS A 105 -6.040 -2.303 10.553 1.00 0.00 N ATOM 0 H LYS A 105 -4.676 -0.564 4.734 1.00 0.00 H new ATOM 0 HA LYS A 105 -2.942 -2.960 4.864 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.777 -3.548 6.661 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.435 -2.502 7.079 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -4.759 -0.570 7.096 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.979 -1.266 6.048 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.008 -1.276 8.166 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.455 -2.928 7.974 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -4.363 -2.317 9.259 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -5.048 -0.729 9.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -5.452 -2.200 11.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -6.924 -1.770 10.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.260 -3.308 10.404 1.00 0.00 H new ATOM 1498 N ALA A 106 -4.411 -4.107 3.232 1.00 0.00 N ATOM 1499 CA ALA A 106 -5.261 -4.908 2.359 1.00 0.00 C ATOM 1500 C ALA A 106 -5.400 -6.332 2.886 1.00 0.00 C ATOM 1501 O ALA A 106 -4.427 -6.938 3.334 1.00 0.00 O ATOM 1502 CB ALA A 106 -4.702 -4.919 0.944 1.00 0.00 C ATOM 0 H ALA A 106 -3.410 -4.240 3.085 1.00 0.00 H new ATOM 0 HA ALA A 106 -6.253 -4.456 2.342 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -5.346 -5.521 0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -4.660 -3.899 0.562 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -3.699 -5.345 0.952 1.00 0.00 H new ATOM 1508 N LYS A 107 -6.618 -6.862 2.830 1.00 0.00 N ATOM 1509 CA LYS A 107 -6.886 -8.216 3.300 1.00 0.00 C ATOM 1510 C LYS A 107 -7.024 -9.182 2.128 1.00 0.00 C ATOM 1511 O LYS A 107 -7.914 -9.033 1.290 1.00 0.00 O ATOM 1512 CB LYS A 107 -8.159 -8.240 4.148 1.00 0.00 C ATOM 1513 CG LYS A 107 -8.663 -9.641 4.449 1.00 0.00 C ATOM 1514 CD LYS A 107 -9.605 -9.651 5.641 1.00 0.00 C ATOM 1515 CE LYS A 107 -8.841 -9.633 6.956 1.00 0.00 C ATOM 1516 NZ LYS A 107 -9.601 -10.299 8.049 1.00 0.00 N ATOM 0 H LYS A 107 -7.435 -6.374 2.464 1.00 0.00 H new ATOM 0 HA LYS A 107 -6.043 -8.535 3.912 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -7.969 -7.721 5.088 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -8.941 -7.685 3.630 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -9.177 -10.039 3.574 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -7.816 -10.298 4.648 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -10.266 -8.785 5.591 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -10.238 -10.538 5.599 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -7.881 -10.132 6.825 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -8.628 -8.602 7.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -9.046 -10.265 8.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -10.506 -9.807 8.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -9.782 -11.290 7.792 1.00 0.00 H new ATOM 1530 N VAL A 108 -6.140 -10.173 2.076 1.00 0.00 N ATOM 1531 CA VAL A 108 -6.165 -11.165 1.008 1.00 0.00 C ATOM 1532 C VAL A 108 -7.038 -12.357 1.385 1.00 0.00 C ATOM 1533 O VAL A 108 -7.163 -12.702 2.561 1.00 0.00 O ATOM 1534 CB VAL A 108 -4.748 -11.666 0.673 1.00 0.00 C ATOM 1535 CG1 VAL A 108 -4.713 -12.277 -0.719 1.00 0.00 C ATOM 1536 CG2 VAL A 108 -3.741 -10.532 0.791 1.00 0.00 C ATOM 0 H VAL A 108 -5.397 -10.310 2.761 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.585 -10.674 0.130 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.476 -12.440 1.391 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.704 -12.625 -0.938 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -5.405 -13.118 -0.765 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.005 -11.526 -1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.745 -10.904 0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.008 -9.735 0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.748 -10.144 1.810 1.00 0.00 H new ATOM 1546 N THR A 109 -7.640 -12.984 0.380 1.00 0.00 N ATOM 1547 CA THR A 109 -8.502 -14.138 0.606 1.00 0.00 C ATOM 1548 C THR A 109 -8.339 -15.171 -0.503 1.00 0.00 C ATOM 1549 O THR A 109 -7.934 -14.842 -1.617 1.00 0.00 O ATOM 1550 CB THR A 109 -9.983 -13.724 0.693 1.00 0.00 C ATOM 1551 OG1 THR A 109 -10.339 -12.933 -0.446 1.00 0.00 O ATOM 1552 CG2 THR A 109 -10.251 -12.936 1.967 1.00 0.00 C ATOM 0 H THR A 109 -7.547 -12.712 -0.599 1.00 0.00 H new ATOM 0 HA THR A 109 -8.199 -14.578 1.556 1.00 0.00 H new ATOM 0 HB THR A 109 -10.589 -14.630 0.710 1.00 0.00 H new ATOM 0 HG1 THR A 109 -11.283 -12.676 -0.384 1.00 0.00 H new ATOM 0 HG21 THR A 109 -11.303 -12.655 2.006 1.00 0.00 H new ATOM 0 HG22 THR A 109 -10.007 -13.551 2.833 1.00 0.00 H new ATOM 0 HG23 THR A 109 -9.635 -12.037 1.975 1.00 0.00 H new ATOM 1560 N GLY A 110 -8.659 -16.423 -0.190 1.00 0.00 N ATOM 1561 CA GLY A 110 -8.542 -17.486 -1.172 1.00 0.00 C ATOM 1562 C GLY A 110 -7.880 -18.727 -0.607 1.00 0.00 C ATOM 1563 O GLY A 110 -7.667 -18.828 0.601 1.00 0.00 O ATOM 0 H GLY A 110 -8.997 -16.720 0.725 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -9.534 -17.744 -1.543 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -7.966 -17.127 -2.025 1.00 0.00 H new ATOM 1567 N GLN A 111 -7.557 -19.674 -1.482 1.00 0.00 N ATOM 1568 CA GLN A 111 -6.919 -20.916 -1.061 1.00 0.00 C ATOM 1569 C GLN A 111 -5.446 -20.932 -1.459 1.00 0.00 C ATOM 1570 O GLN A 111 -5.108 -20.774 -2.632 1.00 0.00 O ATOM 1571 CB GLN A 111 -7.638 -22.117 -1.676 1.00 0.00 C ATOM 1572 CG GLN A 111 -6.740 -23.327 -1.878 1.00 0.00 C ATOM 1573 CD GLN A 111 -7.508 -24.633 -1.867 1.00 0.00 C ATOM 1574 OE1 GLN A 111 -8.701 -24.668 -2.173 1.00 0.00 O ATOM 1575 NE2 GLN A 111 -6.828 -25.717 -1.512 1.00 0.00 N ATOM 0 H GLN A 111 -7.726 -19.605 -2.485 1.00 0.00 H new ATOM 0 HA GLN A 111 -6.985 -20.979 0.025 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -8.473 -22.398 -1.034 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -8.060 -21.824 -2.637 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -6.212 -23.228 -2.827 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -5.984 -23.348 -1.093 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -5.841 -25.642 -1.266 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -7.293 -26.625 -1.485 1.00 0.00 H new ATOM 1584 N ARG A 112 -4.575 -21.124 -0.474 1.00 0.00 N ATOM 1585 CA ARG A 112 -3.138 -21.160 -0.721 1.00 0.00 C ATOM 1586 C ARG A 112 -2.833 -21.830 -2.057 1.00 0.00 C ATOM 1587 O ARG A 112 -3.078 -23.024 -2.235 1.00 0.00 O ATOM 1588 CB ARG A 112 -2.423 -21.902 0.410 1.00 0.00 C ATOM 1589 CG ARG A 112 -2.695 -21.320 1.788 1.00 0.00 C ATOM 1590 CD ARG A 112 -1.664 -21.787 2.803 1.00 0.00 C ATOM 1591 NE ARG A 112 -2.144 -21.647 4.175 1.00 0.00 N ATOM 1592 CZ ARG A 112 -1.347 -21.667 5.238 1.00 0.00 C ATOM 1593 NH1 ARG A 112 -0.039 -21.821 5.087 1.00 0.00 N ATOM 1594 NH2 ARG A 112 -1.859 -21.533 6.455 1.00 0.00 N ATOM 0 H ARG A 112 -4.839 -21.257 0.502 1.00 0.00 H new ATOM 0 HA ARG A 112 -2.775 -20.133 -0.758 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -2.731 -22.947 0.399 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -1.349 -21.884 0.223 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -2.686 -20.231 1.733 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -3.691 -21.614 2.118 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.413 -22.830 2.611 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.747 -21.211 2.679 1.00 0.00 H new ATOM 0 HE ARG A 112 -3.146 -21.527 4.326 1.00 0.00 H new ATOM 0 HH11 ARG A 112 0.358 -21.924 4.153 1.00 0.00 H new ATOM 0 HH12 ARG A 112 0.571 -21.836 5.905 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -2.865 -21.415 6.575 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -1.247 -21.548 7.271 1.00 0.00 H new ATOM 1608 N LEU A 113 -2.297 -21.055 -2.993 1.00 0.00 N ATOM 1609 CA LEU A 113 -1.958 -21.573 -4.314 1.00 0.00 C ATOM 1610 C LEU A 113 -0.605 -22.277 -4.291 1.00 0.00 C ATOM 1611 O LEU A 113 0.393 -21.714 -3.840 1.00 0.00 O ATOM 1612 CB LEU A 113 -1.938 -20.438 -5.339 1.00 0.00 C ATOM 1613 CG LEU A 113 -3.019 -19.368 -5.177 1.00 0.00 C ATOM 1614 CD1 LEU A 113 -2.733 -18.180 -6.082 1.00 0.00 C ATOM 1615 CD2 LEU A 113 -4.393 -19.950 -5.474 1.00 0.00 C ATOM 0 H LEU A 113 -2.088 -20.065 -2.862 1.00 0.00 H new ATOM 0 HA LEU A 113 -2.720 -22.298 -4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -0.964 -19.951 -5.294 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.031 -20.872 -6.334 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.009 -19.021 -4.144 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.512 -17.429 -5.953 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.767 -17.749 -5.822 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.715 -18.510 -7.121 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.150 -19.175 -5.354 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.416 -20.324 -6.497 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.599 -20.768 -4.784 1.00 0.00 H new