USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 811 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 91 MET CE :methyl -169:sc= -0.0261 (180deg=0) USER MOD Set 1.2: A 108 HIS : no HD1:sc= -0.753 K(o=-0.78,f=-0.02) USER MOD Set 2.1: A 98 TYR OH : rot -24:sc= -0.848 USER MOD Set 2.2: A 100 MET CE :methyl -130:sc= -5.49! (180deg=-11!) USER MOD Set 3.1: A 42 TYR OH : rot 1:sc= -2.34! USER MOD Set 3.2: A 50 THR OG1 : rot -65:sc= -0.28 USER MOD Single : A 13 ASN : amide:sc= -0.325 X(o=-0.33,f=-0.028) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -3.48! C(o=-3.5!,f=-5.1!) USER MOD Single : A 38 ASN : amide:sc= -1.23 K(o=-1.2,f=-0.36) USER MOD Single : A 41 GLN : amide:sc= -4.06! K(o=-4.1!,f=-2.2) USER MOD Single : A 43 ASN : amide:sc= -8.38! C(o=-8.4!,f=-17!) USER MOD Single : A 55 LYS NZ :NH3+ -146:sc= -0.158 (180deg=-0.945) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -1.17 K(o=-1.2,f=0.57) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot -160:sc= -0.531 USER MOD Single : A 70 THR OG1 : rot 147:sc= -3.53! USER MOD Single : A 72 SER OG : rot 180:sc= -0.626 USER MOD Single : A 76 TYR OH : rot 150:sc= -0.165 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -141:sc= -0.24 (180deg=-1.39!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -2.09 K(o=-2.1,f=-1.3) USER MOD Single : A 89 ASN : amide:sc= -0.194 K(o=-0.19,f=-4.2!) USER MOD Single : A 90 THR OG1 : rot -130:sc= -0.33 USER MOD Single : A 94 TYR OH : rot 126:sc= 1.15 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0451 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 101 THR OG1 : rot 180:sc= -1.96! USER MOD Single : A 103 THR OG1 : rot 20:sc= 0.023 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 141:sc= -1.93! (180deg=-4.46!) USER MOD Single : A 109 MET CE :methyl 160:sc= -2.66 (180deg=-3.76!) USER MOD Single : A 110 LYS NZ :NH3+ -164:sc= 0.476 (180deg=0.376) USER MOD Single : A 111 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00736) USER MOD Single : A 117 SER OG : rot -34:sc= -1.49 USER MOD Single : A 118 TYR OH : rot 180:sc= -1.81! USER MOD Single : A 123 LYS NZ :NH3+ -153:sc= -0.264 (180deg=-1.24!) USER MOD ----------------------------------------------------------------- ATOM 131 N ASP A 10 13.603 3.143 1.697 1.00 0.00 N ATOM 132 CA ASP A 10 13.175 4.361 0.936 1.00 0.00 C ATOM 133 C ASP A 10 12.163 3.923 -0.124 1.00 0.00 C ATOM 134 O ASP A 10 12.526 3.558 -1.224 1.00 0.00 O ATOM 135 CB ASP A 10 14.392 4.997 0.254 1.00 0.00 C ATOM 136 CG ASP A 10 14.671 6.368 0.877 1.00 0.00 C ATOM 137 OD1 ASP A 10 13.717 7.067 1.176 1.00 0.00 O ATOM 138 OD2 ASP A 10 15.835 6.695 1.043 1.00 0.00 O ATOM 0 HA ASP A 10 12.728 5.093 1.609 1.00 0.00 H new ATOM 0 HB2 ASP A 10 15.263 4.351 0.366 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.209 5.103 -0.815 1.00 0.00 H new ATOM 143 N ILE A 11 10.901 3.920 0.201 1.00 0.00 N ATOM 144 CA ILE A 11 9.903 3.457 -0.785 1.00 0.00 C ATOM 145 C ILE A 11 9.604 4.549 -1.790 1.00 0.00 C ATOM 146 O ILE A 11 9.928 4.437 -2.945 1.00 0.00 O ATOM 147 CB ILE A 11 8.600 3.067 -0.108 1.00 0.00 C ATOM 148 CG1 ILE A 11 8.797 2.662 1.351 1.00 0.00 C ATOM 149 CG2 ILE A 11 8.007 1.891 -0.856 1.00 0.00 C ATOM 150 CD1 ILE A 11 9.804 1.534 1.414 1.00 0.00 C ATOM 0 H ILE A 11 10.525 4.217 1.102 1.00 0.00 H new ATOM 0 HA ILE A 11 10.327 2.587 -1.287 1.00 0.00 H new ATOM 0 HB ILE A 11 7.942 3.935 -0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.147 3.513 1.935 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.849 2.346 1.786 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.070 1.595 -0.385 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.819 2.176 -1.891 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.705 1.054 -0.831 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.953 1.236 2.452 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.434 0.683 0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.752 1.869 0.993 1.00 0.00 H new ATOM 162 N GLU A 12 8.957 5.595 -1.368 1.00 0.00 N ATOM 163 CA GLU A 12 8.594 6.681 -2.319 1.00 0.00 C ATOM 164 C GLU A 12 9.777 7.032 -3.238 1.00 0.00 C ATOM 165 O GLU A 12 9.594 7.507 -4.341 1.00 0.00 O ATOM 166 CB GLU A 12 8.164 7.923 -1.536 1.00 0.00 C ATOM 167 CG GLU A 12 9.346 8.444 -0.717 1.00 0.00 C ATOM 168 CD GLU A 12 8.998 8.393 0.772 1.00 0.00 C ATOM 169 OE1 GLU A 12 8.978 7.301 1.318 1.00 0.00 O ATOM 170 OE2 GLU A 12 8.760 9.444 1.341 1.00 0.00 O ATOM 0 H GLU A 12 8.662 5.747 -0.403 1.00 0.00 H new ATOM 0 HA GLU A 12 7.770 6.332 -2.942 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.814 8.695 -2.221 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.330 7.680 -0.877 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.233 7.842 -0.915 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.583 9.466 -1.011 1.00 0.00 H new ATOM 177 N ASN A 13 10.985 6.793 -2.799 1.00 0.00 N ATOM 178 CA ASN A 13 12.162 7.106 -3.658 1.00 0.00 C ATOM 179 C ASN A 13 12.287 6.048 -4.760 1.00 0.00 C ATOM 180 O ASN A 13 12.414 6.367 -5.925 1.00 0.00 O ATOM 181 CB ASN A 13 13.429 7.102 -2.805 1.00 0.00 C ATOM 182 CG ASN A 13 14.243 8.364 -3.095 1.00 0.00 C ATOM 183 OD1 ASN A 13 14.798 8.963 -2.195 1.00 0.00 O ATOM 184 ND2 ASN A 13 14.337 8.797 -4.322 1.00 0.00 N ATOM 0 H ASN A 13 11.206 6.396 -1.886 1.00 0.00 H new ATOM 0 HA ASN A 13 12.030 8.089 -4.111 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.168 7.060 -1.748 1.00 0.00 H new ATOM 0 HB3 ASN A 13 14.024 6.215 -3.022 1.00 0.00 H new ATOM 0 HD21 ASN A 13 14.876 9.638 -4.526 1.00 0.00 H new ATOM 0 HD22 ASN A 13 13.871 8.294 -5.077 1.00 0.00 H new ATOM 191 N THR A 14 12.235 4.790 -4.404 1.00 0.00 N ATOM 192 CA THR A 14 12.331 3.720 -5.437 1.00 0.00 C ATOM 193 C THR A 14 11.032 3.756 -6.250 1.00 0.00 C ATOM 194 O THR A 14 11.033 3.994 -7.441 1.00 0.00 O ATOM 195 CB THR A 14 12.529 2.354 -4.726 1.00 0.00 C ATOM 196 OG1 THR A 14 13.920 2.107 -4.584 1.00 0.00 O ATOM 197 CG2 THR A 14 11.899 1.205 -5.528 1.00 0.00 C ATOM 0 H THR A 14 12.130 4.460 -3.445 1.00 0.00 H new ATOM 0 HA THR A 14 13.178 3.869 -6.107 1.00 0.00 H new ATOM 0 HB THR A 14 12.040 2.401 -3.753 1.00 0.00 H new ATOM 0 HG1 THR A 14 14.055 1.247 -4.134 1.00 0.00 H new ATOM 0 HG21 THR A 14 12.057 0.264 -5.001 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.830 1.383 -5.640 1.00 0.00 H new ATOM 0 HG23 THR A 14 12.363 1.151 -6.513 1.00 0.00 H new ATOM 205 N LEU A 15 9.935 3.529 -5.581 1.00 0.00 N ATOM 206 CA LEU A 15 8.581 3.548 -6.227 1.00 0.00 C ATOM 207 C LEU A 15 8.505 4.648 -7.293 1.00 0.00 C ATOM 208 O LEU A 15 7.812 4.522 -8.284 1.00 0.00 O ATOM 209 CB LEU A 15 7.517 3.846 -5.161 1.00 0.00 C ATOM 210 CG LEU A 15 7.590 2.843 -4.012 1.00 0.00 C ATOM 211 CD1 LEU A 15 6.578 3.241 -2.938 1.00 0.00 C ATOM 212 CD2 LEU A 15 7.250 1.449 -4.527 1.00 0.00 C ATOM 0 H LEU A 15 9.916 3.324 -4.582 1.00 0.00 H new ATOM 0 HA LEU A 15 8.408 2.577 -6.691 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.658 4.856 -4.775 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.526 3.813 -5.614 1.00 0.00 H new ATOM 0 HG LEU A 15 8.597 2.840 -3.594 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.624 2.530 -2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.813 4.239 -2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.575 3.238 -3.364 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.303 0.735 -3.705 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.242 1.450 -4.943 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.962 1.164 -5.302 1.00 0.00 H new ATOM 224 N ALA A 16 9.202 5.731 -7.085 1.00 0.00 N ATOM 225 CA ALA A 16 9.163 6.848 -8.071 1.00 0.00 C ATOM 226 C ALA A 16 10.104 6.552 -9.241 1.00 0.00 C ATOM 227 O ALA A 16 9.683 6.461 -10.377 1.00 0.00 O ATOM 228 CB ALA A 16 9.597 8.144 -7.384 1.00 0.00 C ATOM 0 H ALA A 16 9.798 5.891 -6.273 1.00 0.00 H new ATOM 0 HA ALA A 16 8.147 6.953 -8.451 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.570 8.963 -8.102 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.920 8.363 -6.558 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.611 8.031 -7.001 1.00 0.00 H new ATOM 340 N ASP A 24 10.264 -5.539 -5.344 1.00 0.00 N ATOM 341 CA ASP A 24 9.668 -6.862 -5.005 1.00 0.00 C ATOM 342 C ASP A 24 10.520 -7.571 -3.938 1.00 0.00 C ATOM 343 O ASP A 24 10.180 -8.641 -3.476 1.00 0.00 O ATOM 344 CB ASP A 24 9.610 -7.732 -6.264 1.00 0.00 C ATOM 345 CG ASP A 24 8.810 -7.007 -7.348 1.00 0.00 C ATOM 346 OD1 ASP A 24 9.300 -6.010 -7.852 1.00 0.00 O ATOM 347 OD2 ASP A 24 7.721 -7.462 -7.656 1.00 0.00 O ATOM 0 HA ASP A 24 8.662 -6.707 -4.614 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.618 -7.942 -6.620 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.146 -8.691 -6.035 1.00 0.00 H new ATOM 352 N GLY A 25 11.624 -6.987 -3.542 1.00 0.00 N ATOM 353 CA GLY A 25 12.485 -7.633 -2.508 1.00 0.00 C ATOM 354 C GLY A 25 12.235 -6.968 -1.156 1.00 0.00 C ATOM 355 O GLY A 25 13.131 -6.819 -0.348 1.00 0.00 O ATOM 0 H GLY A 25 11.965 -6.091 -3.891 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.264 -8.699 -2.448 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.536 -7.540 -2.783 1.00 0.00 H new ATOM 359 N LEU A 26 11.024 -6.565 -0.907 1.00 0.00 N ATOM 360 CA LEU A 26 10.704 -5.906 0.376 1.00 0.00 C ATOM 361 C LEU A 26 9.829 -6.833 1.214 1.00 0.00 C ATOM 362 O LEU A 26 9.170 -7.720 0.709 1.00 0.00 O ATOM 363 CB LEU A 26 9.932 -4.614 0.104 1.00 0.00 C ATOM 364 CG LEU A 26 10.704 -3.728 -0.878 1.00 0.00 C ATOM 365 CD1 LEU A 26 9.716 -2.854 -1.657 1.00 0.00 C ATOM 366 CD2 LEU A 26 11.672 -2.829 -0.105 1.00 0.00 C ATOM 0 H LEU A 26 10.237 -6.667 -1.547 1.00 0.00 H new ATOM 0 HA LEU A 26 11.628 -5.682 0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.949 -4.849 -0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.769 -4.076 1.038 1.00 0.00 H new ATOM 0 HG LEU A 26 11.265 -4.357 -1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.263 -2.222 -2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.023 -3.490 -2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.158 -2.227 -0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.221 -2.199 -0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.111 -2.200 0.586 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.374 -3.447 0.455 1.00 0.00 H new ATOM 378 N ALA A 27 9.808 -6.610 2.489 1.00 0.00 N ATOM 379 CA ALA A 27 8.965 -7.448 3.392 1.00 0.00 C ATOM 380 C ALA A 27 7.555 -6.842 3.480 1.00 0.00 C ATOM 381 O ALA A 27 6.723 -7.277 4.258 1.00 0.00 O ATOM 382 CB ALA A 27 9.594 -7.482 4.787 1.00 0.00 C ATOM 0 H ALA A 27 10.342 -5.877 2.956 1.00 0.00 H new ATOM 0 HA ALA A 27 8.902 -8.462 2.997 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.980 -8.093 5.448 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.595 -7.908 4.724 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.655 -6.468 5.183 1.00 0.00 H new ATOM 388 N PHE A 28 7.284 -5.837 2.688 1.00 0.00 N ATOM 389 CA PHE A 28 5.944 -5.196 2.712 1.00 0.00 C ATOM 390 C PHE A 28 5.463 -5.006 1.279 1.00 0.00 C ATOM 391 O PHE A 28 6.057 -5.494 0.337 1.00 0.00 O ATOM 392 CB PHE A 28 6.061 -3.820 3.372 1.00 0.00 C ATOM 393 CG PHE A 28 7.185 -3.065 2.698 1.00 0.00 C ATOM 394 CD1 PHE A 28 6.963 -2.408 1.479 1.00 0.00 C ATOM 395 CD2 PHE A 28 8.452 -3.039 3.283 1.00 0.00 C ATOM 396 CE1 PHE A 28 8.014 -1.726 0.851 1.00 0.00 C ATOM 397 CE2 PHE A 28 9.503 -2.360 2.657 1.00 0.00 C ATOM 398 CZ PHE A 28 9.285 -1.702 1.440 1.00 0.00 C ATOM 0 H PHE A 28 7.942 -5.433 2.022 1.00 0.00 H new ATOM 0 HA PHE A 28 5.244 -5.821 3.267 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.124 -3.272 3.276 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.260 -3.926 4.438 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.983 -2.428 1.025 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.622 -3.545 4.222 1.00 0.00 H new ATOM 0 HE1 PHE A 28 7.844 -1.219 -0.087 1.00 0.00 H new ATOM 0 HE2 PHE A 28 10.482 -2.343 3.112 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.095 -1.177 0.956 1.00 0.00 H new ATOM 408 N GLY A 29 4.405 -4.275 1.108 1.00 0.00 N ATOM 409 CA GLY A 29 3.886 -4.010 -0.252 1.00 0.00 C ATOM 410 C GLY A 29 3.949 -2.507 -0.483 1.00 0.00 C ATOM 411 O GLY A 29 3.821 -1.742 0.445 1.00 0.00 O ATOM 0 H GLY A 29 3.871 -3.845 1.863 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.480 -4.537 -0.998 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.862 -4.370 -0.348 1.00 0.00 H new ATOM 415 N ALA A 30 4.134 -2.061 -1.694 1.00 0.00 N ATOM 416 CA ALA A 30 4.179 -0.591 -1.920 1.00 0.00 C ATOM 417 C ALA A 30 3.163 -0.252 -2.997 1.00 0.00 C ATOM 418 O ALA A 30 3.476 -0.188 -4.169 1.00 0.00 O ATOM 419 CB ALA A 30 5.579 -0.149 -2.348 1.00 0.00 C ATOM 0 H ALA A 30 4.254 -2.641 -2.525 1.00 0.00 H new ATOM 0 HA ALA A 30 3.940 -0.066 -0.995 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.587 0.929 -2.507 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.296 -0.406 -1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.853 -0.655 -3.274 1.00 0.00 H new ATOM 425 N ILE A 31 1.932 -0.073 -2.608 1.00 0.00 N ATOM 426 CA ILE A 31 0.879 0.215 -3.611 1.00 0.00 C ATOM 427 C ILE A 31 0.712 1.715 -3.806 1.00 0.00 C ATOM 428 O ILE A 31 0.916 2.510 -2.911 1.00 0.00 O ATOM 429 CB ILE A 31 -0.450 -0.427 -3.174 1.00 0.00 C ATOM 430 CG1 ILE A 31 -1.128 0.376 -2.063 1.00 0.00 C ATOM 431 CG2 ILE A 31 -0.169 -1.821 -2.642 1.00 0.00 C ATOM 432 CD1 ILE A 31 -1.964 1.500 -2.678 1.00 0.00 C ATOM 0 H ILE A 31 1.613 -0.114 -1.640 1.00 0.00 H new ATOM 0 HA ILE A 31 1.181 -0.215 -4.566 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.111 -0.453 -4.040 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.763 -0.277 -1.464 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.377 0.793 -1.392 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.104 -2.286 -2.329 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.292 -2.423 -3.425 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.507 -1.756 -1.789 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.446 2.071 -1.884 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.317 2.159 -3.258 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.725 1.072 -3.331 1.00 0.00 H new ATOM 444 N GLN A 32 0.326 2.087 -4.983 1.00 0.00 N ATOM 445 CA GLN A 32 0.110 3.514 -5.304 1.00 0.00 C ATOM 446 C GLN A 32 -1.376 3.675 -5.599 1.00 0.00 C ATOM 447 O GLN A 32 -2.062 2.702 -5.852 1.00 0.00 O ATOM 448 CB GLN A 32 0.920 3.899 -6.550 1.00 0.00 C ATOM 449 CG GLN A 32 2.174 3.016 -6.683 1.00 0.00 C ATOM 450 CD GLN A 32 3.033 3.162 -5.428 1.00 0.00 C ATOM 451 OE1 GLN A 32 3.198 2.221 -4.677 1.00 0.00 O ATOM 452 NE2 GLN A 32 3.591 4.312 -5.166 1.00 0.00 N ATOM 0 H GLN A 32 0.146 1.446 -5.756 1.00 0.00 H new ATOM 0 HA GLN A 32 0.426 4.152 -4.478 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.299 3.793 -7.440 1.00 0.00 H new ATOM 0 HB3 GLN A 32 1.213 4.947 -6.489 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.886 1.974 -6.820 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.746 3.307 -7.564 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.452 5.102 -5.797 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.166 4.421 -4.331 1.00 0.00 H new ATOM 461 N LEU A 33 -1.894 4.867 -5.571 1.00 0.00 N ATOM 462 CA LEU A 33 -3.344 5.019 -5.857 1.00 0.00 C ATOM 463 C LEU A 33 -3.621 6.377 -6.492 1.00 0.00 C ATOM 464 O LEU A 33 -3.008 7.373 -6.163 1.00 0.00 O ATOM 465 CB LEU A 33 -4.139 4.922 -4.556 1.00 0.00 C ATOM 466 CG LEU A 33 -4.339 3.450 -4.191 1.00 0.00 C ATOM 467 CD1 LEU A 33 -5.073 3.349 -2.854 1.00 0.00 C ATOM 468 CD2 LEU A 33 -5.168 2.768 -5.280 1.00 0.00 C ATOM 0 H LEU A 33 -1.388 5.729 -5.367 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.643 4.227 -6.543 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.610 5.438 -3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.105 5.414 -4.670 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.369 2.960 -4.108 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.215 2.300 -2.595 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.484 3.838 -2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.044 3.837 -2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.313 1.719 -5.023 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.138 3.259 -5.360 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.645 2.840 -6.234 1.00 0.00 H new ATOM 480 N ASP A 34 -4.576 6.423 -7.371 1.00 0.00 N ATOM 481 CA ASP A 34 -4.949 7.706 -8.006 1.00 0.00 C ATOM 482 C ASP A 34 -6.180 8.220 -7.271 1.00 0.00 C ATOM 483 O ASP A 34 -6.704 7.540 -6.418 1.00 0.00 O ATOM 484 CB ASP A 34 -5.270 7.485 -9.487 1.00 0.00 C ATOM 485 CG ASP A 34 -4.865 8.722 -10.289 1.00 0.00 C ATOM 486 OD1 ASP A 34 -3.675 8.915 -10.484 1.00 0.00 O ATOM 487 OD2 ASP A 34 -5.750 9.456 -10.698 1.00 0.00 O ATOM 0 H ASP A 34 -5.119 5.616 -7.679 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.132 8.425 -7.947 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.739 6.609 -9.858 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.335 7.289 -9.614 1.00 0.00 H new ATOM 492 N GLY A 35 -6.617 9.411 -7.578 1.00 0.00 N ATOM 493 CA GLY A 35 -7.802 10.017 -6.885 1.00 0.00 C ATOM 494 C GLY A 35 -8.932 9.002 -6.626 1.00 0.00 C ATOM 495 O GLY A 35 -9.362 8.828 -5.503 1.00 0.00 O ATOM 0 H GLY A 35 -6.198 10.005 -8.293 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.481 10.445 -5.935 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.189 10.837 -7.490 1.00 0.00 H new ATOM 499 N ASP A 36 -9.442 8.355 -7.643 1.00 0.00 N ATOM 500 CA ASP A 36 -10.569 7.388 -7.427 1.00 0.00 C ATOM 501 C ASP A 36 -10.115 6.234 -6.532 1.00 0.00 C ATOM 502 O ASP A 36 -10.914 5.494 -5.992 1.00 0.00 O ATOM 503 CB ASP A 36 -11.027 6.832 -8.777 1.00 0.00 C ATOM 504 CG ASP A 36 -12.077 7.763 -9.387 1.00 0.00 C ATOM 505 OD1 ASP A 36 -11.739 8.901 -9.670 1.00 0.00 O ATOM 506 OD2 ASP A 36 -13.201 7.323 -9.559 1.00 0.00 O ATOM 0 H ASP A 36 -9.131 8.451 -8.610 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.394 7.910 -6.941 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.175 6.738 -9.450 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.443 5.833 -8.648 1.00 0.00 H new ATOM 511 N GLY A 37 -8.838 6.064 -6.405 1.00 0.00 N ATOM 512 CA GLY A 37 -8.293 4.947 -5.584 1.00 0.00 C ATOM 513 C GLY A 37 -7.834 3.859 -6.544 1.00 0.00 C ATOM 514 O GLY A 37 -7.857 2.679 -6.237 1.00 0.00 O ATOM 0 H GLY A 37 -8.132 6.658 -6.840 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.462 5.292 -4.969 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.054 4.563 -4.904 1.00 0.00 H new ATOM 518 N ASN A 38 -7.444 4.256 -7.728 1.00 0.00 N ATOM 519 CA ASN A 38 -7.011 3.239 -8.742 1.00 0.00 C ATOM 520 C ASN A 38 -5.540 2.879 -8.542 1.00 0.00 C ATOM 521 O ASN A 38 -4.708 3.725 -8.317 1.00 0.00 O ATOM 522 CB ASN A 38 -7.209 3.796 -10.150 1.00 0.00 C ATOM 523 CG ASN A 38 -8.636 3.502 -10.620 1.00 0.00 C ATOM 524 OD1 ASN A 38 -9.440 4.402 -10.761 1.00 0.00 O ATOM 525 ND2 ASN A 38 -8.985 2.270 -10.872 1.00 0.00 N ATOM 0 H ASN A 38 -7.405 5.227 -8.037 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.617 2.342 -8.614 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.027 4.871 -10.156 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.490 3.347 -10.835 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -9.933 2.063 -11.187 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.310 1.514 -10.754 1.00 0.00 H new ATOM 532 N ILE A 39 -5.209 1.623 -8.615 1.00 0.00 N ATOM 533 CA ILE A 39 -3.787 1.222 -8.404 1.00 0.00 C ATOM 534 C ILE A 39 -2.875 1.808 -9.486 1.00 0.00 C ATOM 535 O ILE A 39 -3.157 1.733 -10.666 1.00 0.00 O ATOM 536 CB ILE A 39 -3.668 -0.328 -8.407 1.00 0.00 C ATOM 537 CG1 ILE A 39 -2.615 -0.757 -7.383 1.00 0.00 C ATOM 538 CG2 ILE A 39 -3.248 -0.859 -9.779 1.00 0.00 C ATOM 539 CD1 ILE A 39 -3.094 -0.399 -5.976 1.00 0.00 C ATOM 0 H ILE A 39 -5.855 0.858 -8.810 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.468 1.615 -7.439 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.647 -0.737 -8.158 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.438 -1.830 -7.456 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.667 -0.262 -7.592 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.175 -1.946 -9.742 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.990 -0.570 -10.524 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.279 -0.440 -10.050 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.343 -0.705 -5.247 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.249 0.678 -5.907 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.032 -0.914 -5.769 1.00 0.00 H new ATOM 551 N LEU A 40 -1.753 2.323 -9.086 1.00 0.00 N ATOM 552 CA LEU A 40 -0.771 2.840 -10.077 1.00 0.00 C ATOM 553 C LEU A 40 0.425 1.877 -10.057 1.00 0.00 C ATOM 554 O LEU A 40 1.101 1.684 -11.047 1.00 0.00 O ATOM 555 CB LEU A 40 -0.319 4.269 -9.730 1.00 0.00 C ATOM 556 CG LEU A 40 -1.395 4.982 -8.897 1.00 0.00 C ATOM 557 CD1 LEU A 40 -0.899 6.368 -8.497 1.00 0.00 C ATOM 558 CD2 LEU A 40 -2.668 5.121 -9.729 1.00 0.00 C ATOM 0 H LEU A 40 -1.469 2.410 -8.110 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.223 2.890 -11.068 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.618 4.236 -9.174 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.128 4.829 -10.645 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.604 4.399 -8.000 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.664 6.872 -7.906 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.011 6.272 -7.906 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.690 6.952 -9.393 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.434 5.627 -9.141 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.455 5.704 -10.625 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.025 4.132 -10.016 1.00 0.00 H new ATOM 570 N GLN A 41 0.660 1.244 -8.928 1.00 0.00 N ATOM 571 CA GLN A 41 1.774 0.257 -8.822 1.00 0.00 C ATOM 572 C GLN A 41 1.503 -0.671 -7.612 1.00 0.00 C ATOM 573 O GLN A 41 0.810 -0.298 -6.695 1.00 0.00 O ATOM 574 CB GLN A 41 3.113 1.000 -8.653 1.00 0.00 C ATOM 575 CG GLN A 41 4.161 0.463 -9.643 1.00 0.00 C ATOM 576 CD GLN A 41 4.191 -1.058 -9.567 1.00 0.00 C ATOM 577 OE1 GLN A 41 4.946 -1.631 -8.807 1.00 0.00 O ATOM 578 NE2 GLN A 41 3.389 -1.739 -10.334 1.00 0.00 N ATOM 0 H GLN A 41 0.121 1.374 -8.072 1.00 0.00 H new ATOM 0 HA GLN A 41 1.832 -0.345 -9.729 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.965 2.068 -8.816 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.475 0.880 -7.632 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.919 0.783 -10.656 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.144 0.870 -9.406 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.757 -1.253 -10.970 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.393 -2.758 -10.298 1.00 0.00 H new ATOM 587 N TYR A 42 1.998 -1.893 -7.614 1.00 0.00 N ATOM 588 CA TYR A 42 1.707 -2.819 -6.473 1.00 0.00 C ATOM 589 C TYR A 42 2.981 -3.553 -6.004 1.00 0.00 C ATOM 590 O TYR A 42 3.441 -3.357 -4.892 1.00 0.00 O ATOM 591 CB TYR A 42 0.678 -3.851 -6.953 1.00 0.00 C ATOM 592 CG TYR A 42 0.008 -4.509 -5.775 1.00 0.00 C ATOM 593 CD1 TYR A 42 -0.792 -3.750 -4.922 1.00 0.00 C ATOM 594 CD2 TYR A 42 0.175 -5.881 -5.543 1.00 0.00 C ATOM 595 CE1 TYR A 42 -1.433 -4.356 -3.841 1.00 0.00 C ATOM 596 CE2 TYR A 42 -0.462 -6.486 -4.457 1.00 0.00 C ATOM 597 CZ TYR A 42 -1.269 -5.727 -3.608 1.00 0.00 C ATOM 598 OH TYR A 42 -1.916 -6.330 -2.552 1.00 0.00 O ATOM 0 H TYR A 42 2.585 -2.283 -8.351 1.00 0.00 H new ATOM 0 HA TYR A 42 1.326 -2.240 -5.632 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.069 -3.365 -7.580 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.169 -4.605 -7.568 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.916 -2.692 -5.098 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.795 -6.470 -6.203 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.056 -3.767 -3.184 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.330 -7.542 -4.274 1.00 0.00 H new ATOM 0 HH TYR A 42 -2.456 -5.665 -2.077 1.00 0.00 H new ATOM 608 N ASN A 43 3.512 -4.412 -6.857 1.00 0.00 N ATOM 609 CA ASN A 43 4.739 -5.244 -6.559 1.00 0.00 C ATOM 610 C ASN A 43 4.289 -6.679 -6.221 1.00 0.00 C ATOM 611 O ASN A 43 3.110 -6.967 -6.172 1.00 0.00 O ATOM 612 CB ASN A 43 5.626 -4.635 -5.441 1.00 0.00 C ATOM 613 CG ASN A 43 5.204 -5.112 -4.046 1.00 0.00 C ATOM 614 OD1 ASN A 43 4.094 -5.555 -3.854 1.00 0.00 O ATOM 615 ND2 ASN A 43 6.053 -5.031 -3.059 1.00 0.00 N ATOM 0 H ASN A 43 3.128 -4.577 -7.787 1.00 0.00 H new ATOM 0 HA ASN A 43 5.373 -5.258 -7.445 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.667 -4.906 -5.617 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.568 -3.547 -5.485 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.781 -5.341 -2.126 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.988 -4.658 -3.220 1.00 0.00 H new ATOM 622 N ALA A 44 5.210 -7.590 -6.032 1.00 0.00 N ATOM 623 CA ALA A 44 4.811 -9.006 -5.749 1.00 0.00 C ATOM 624 C ALA A 44 4.812 -9.339 -4.249 1.00 0.00 C ATOM 625 O ALA A 44 4.149 -10.263 -3.828 1.00 0.00 O ATOM 626 CB ALA A 44 5.776 -9.945 -6.473 1.00 0.00 C ATOM 0 H ALA A 44 6.215 -7.418 -6.061 1.00 0.00 H new ATOM 0 HA ALA A 44 3.789 -9.136 -6.106 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.495 -10.979 -6.274 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.731 -9.757 -7.546 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.791 -9.770 -6.116 1.00 0.00 H new ATOM 632 N ALA A 45 5.555 -8.637 -3.441 1.00 0.00 N ATOM 633 CA ALA A 45 5.584 -8.976 -1.980 1.00 0.00 C ATOM 634 C ALA A 45 4.167 -9.036 -1.410 1.00 0.00 C ATOM 635 O ALA A 45 3.716 -10.056 -0.922 1.00 0.00 O ATOM 636 CB ALA A 45 6.373 -7.908 -1.225 1.00 0.00 C ATOM 0 H ALA A 45 6.140 -7.849 -3.719 1.00 0.00 H new ATOM 0 HA ALA A 45 6.057 -9.951 -1.863 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.394 -8.154 -0.163 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.392 -7.869 -1.609 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.896 -6.938 -1.363 1.00 0.00 H new ATOM 642 N GLU A 46 3.477 -7.938 -1.444 1.00 0.00 N ATOM 643 CA GLU A 46 2.088 -7.907 -0.887 1.00 0.00 C ATOM 644 C GLU A 46 1.230 -8.923 -1.605 1.00 0.00 C ATOM 645 O GLU A 46 0.621 -9.776 -1.005 1.00 0.00 O ATOM 646 CB GLU A 46 1.424 -6.529 -1.056 1.00 0.00 C ATOM 647 CG GLU A 46 2.076 -5.705 -2.164 1.00 0.00 C ATOM 648 CD GLU A 46 1.399 -4.348 -2.233 1.00 0.00 C ATOM 649 OE1 GLU A 46 2.020 -3.431 -2.742 1.00 0.00 O ATOM 650 OE2 GLU A 46 0.135 -4.246 -1.687 1.00 0.00 O ATOM 0 H GLU A 46 3.808 -7.055 -1.832 1.00 0.00 H new ATOM 0 HA GLU A 46 2.167 -8.132 0.177 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.366 -6.663 -1.280 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.484 -5.981 -0.115 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.141 -5.585 -1.967 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.985 -6.220 -3.120 1.00 0.00 H new ATOM 658 N GLY A 47 1.172 -8.831 -2.890 1.00 0.00 N ATOM 659 CA GLY A 47 0.334 -9.795 -3.660 1.00 0.00 C ATOM 660 C GLY A 47 0.772 -11.232 -3.354 1.00 0.00 C ATOM 661 O GLY A 47 0.063 -12.174 -3.643 1.00 0.00 O ATOM 0 H GLY A 47 1.664 -8.135 -3.450 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.717 -9.664 -3.401 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.426 -9.598 -4.728 1.00 0.00 H new ATOM 665 N ASP A 48 1.926 -11.418 -2.768 1.00 0.00 N ATOM 666 CA ASP A 48 2.375 -12.801 -2.444 1.00 0.00 C ATOM 667 C ASP A 48 1.576 -13.310 -1.243 1.00 0.00 C ATOM 668 O ASP A 48 1.169 -14.452 -1.191 1.00 0.00 O ATOM 669 CB ASP A 48 3.864 -12.787 -2.093 1.00 0.00 C ATOM 670 CG ASP A 48 4.600 -13.826 -2.941 1.00 0.00 C ATOM 671 OD1 ASP A 48 4.779 -13.580 -4.122 1.00 0.00 O ATOM 672 OD2 ASP A 48 4.974 -14.850 -2.393 1.00 0.00 O ATOM 0 H ASP A 48 2.573 -10.675 -2.502 1.00 0.00 H new ATOM 0 HA ASP A 48 2.214 -13.453 -3.303 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.281 -11.796 -2.271 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.000 -13.004 -1.034 1.00 0.00 H new ATOM 677 N ILE A 49 1.352 -12.463 -0.275 1.00 0.00 N ATOM 678 CA ILE A 49 0.583 -12.883 0.929 1.00 0.00 C ATOM 679 C ILE A 49 -0.921 -12.739 0.645 1.00 0.00 C ATOM 680 O ILE A 49 -1.683 -13.677 0.763 1.00 0.00 O ATOM 681 CB ILE A 49 1.039 -12.010 2.117 1.00 0.00 C ATOM 682 CG1 ILE A 49 1.752 -12.894 3.146 1.00 0.00 C ATOM 683 CG2 ILE A 49 -0.127 -11.279 2.804 1.00 0.00 C ATOM 684 CD1 ILE A 49 0.757 -13.885 3.754 1.00 0.00 C ATOM 0 H ILE A 49 1.671 -11.494 -0.267 1.00 0.00 H new ATOM 0 HA ILE A 49 0.768 -13.928 1.177 1.00 0.00 H new ATOM 0 HB ILE A 49 1.710 -11.249 1.720 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.572 -13.433 2.671 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.189 -12.276 3.930 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.255 -10.681 3.631 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.623 -10.627 2.084 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.841 -12.010 3.184 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.268 -14.512 4.485 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.048 -13.338 4.245 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.341 -14.513 2.966 1.00 0.00 H new ATOM 696 N THR A 50 -1.343 -11.560 0.286 1.00 0.00 N ATOM 697 CA THR A 50 -2.787 -11.328 0.004 1.00 0.00 C ATOM 698 C THR A 50 -3.171 -11.985 -1.324 1.00 0.00 C ATOM 699 O THR A 50 -4.319 -12.304 -1.559 1.00 0.00 O ATOM 700 CB THR A 50 -3.045 -9.820 -0.093 1.00 0.00 C ATOM 701 OG1 THR A 50 -2.521 -9.336 -1.320 1.00 0.00 O ATOM 702 CG2 THR A 50 -2.357 -9.099 1.063 1.00 0.00 C ATOM 0 H THR A 50 -0.746 -10.741 0.175 1.00 0.00 H new ATOM 0 HA THR A 50 -3.383 -11.760 0.808 1.00 0.00 H new ATOM 0 HB THR A 50 -4.118 -9.635 -0.045 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.545 -9.429 -1.319 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.545 -8.028 0.987 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.751 -9.470 2.009 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.284 -9.283 1.019 1.00 0.00 H new ATOM 710 N GLY A 51 -2.226 -12.175 -2.200 1.00 0.00 N ATOM 711 CA GLY A 51 -2.545 -12.791 -3.514 1.00 0.00 C ATOM 712 C GLY A 51 -2.797 -11.679 -4.543 1.00 0.00 C ATOM 713 O GLY A 51 -2.729 -11.899 -5.736 1.00 0.00 O ATOM 0 H GLY A 51 -1.246 -11.930 -2.062 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.722 -13.426 -3.841 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.425 -13.429 -3.427 1.00 0.00 H new ATOM 717 N ARG A 52 -3.081 -10.485 -4.079 1.00 0.00 N ATOM 718 CA ARG A 52 -3.337 -9.333 -4.998 1.00 0.00 C ATOM 719 C ARG A 52 -2.307 -9.308 -6.132 1.00 0.00 C ATOM 720 O ARG A 52 -1.215 -8.796 -5.980 1.00 0.00 O ATOM 721 CB ARG A 52 -3.206 -8.029 -4.211 1.00 0.00 C ATOM 722 CG ARG A 52 -4.584 -7.474 -3.844 1.00 0.00 C ATOM 723 CD ARG A 52 -4.649 -5.991 -4.239 1.00 0.00 C ATOM 724 NE ARG A 52 -4.899 -5.126 -3.040 1.00 0.00 N ATOM 725 CZ ARG A 52 -4.401 -3.923 -3.009 1.00 0.00 C ATOM 726 NH1 ARG A 52 -4.421 -3.183 -4.083 1.00 0.00 N ATOM 727 NH2 ARG A 52 -3.881 -3.455 -1.906 1.00 0.00 N ATOM 0 H ARG A 52 -3.147 -10.258 -3.087 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.338 -9.440 -5.417 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.626 -8.203 -3.305 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.659 -7.295 -4.803 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.365 -8.035 -4.358 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.762 -7.587 -2.775 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.714 -5.697 -4.716 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.442 -5.841 -4.972 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.453 -5.476 -2.258 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.826 -3.547 -4.945 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.031 -2.241 -4.060 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.864 -4.032 -1.065 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.492 -2.512 -1.885 1.00 0.00 H new ATOM 741 N ASP A 53 -2.652 -9.833 -7.266 1.00 0.00 N ATOM 742 CA ASP A 53 -1.700 -9.814 -8.409 1.00 0.00 C ATOM 743 C ASP A 53 -1.555 -8.364 -8.892 1.00 0.00 C ATOM 744 O ASP A 53 -2.419 -7.552 -8.633 1.00 0.00 O ATOM 745 CB ASP A 53 -2.239 -10.692 -9.542 1.00 0.00 C ATOM 746 CG ASP A 53 -1.960 -12.163 -9.225 1.00 0.00 C ATOM 747 OD1 ASP A 53 -0.919 -12.437 -8.652 1.00 0.00 O ATOM 748 OD2 ASP A 53 -2.794 -12.989 -9.559 1.00 0.00 O ATOM 0 H ASP A 53 -3.551 -10.276 -7.455 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.729 -10.202 -8.100 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.310 -10.532 -9.662 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.768 -10.417 -10.485 1.00 0.00 H new ATOM 753 N PRO A 54 -0.469 -8.068 -9.572 1.00 0.00 N ATOM 754 CA PRO A 54 -0.213 -6.707 -10.080 1.00 0.00 C ATOM 755 C PRO A 54 -1.051 -6.426 -11.331 1.00 0.00 C ATOM 756 O PRO A 54 -1.875 -5.533 -11.350 1.00 0.00 O ATOM 757 CB PRO A 54 1.281 -6.722 -10.414 1.00 0.00 C ATOM 758 CG PRO A 54 1.670 -8.206 -10.617 1.00 0.00 C ATOM 759 CD PRO A 54 0.597 -9.045 -9.897 1.00 0.00 C ATOM 0 HA PRO A 54 -0.478 -5.930 -9.363 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.483 -6.141 -11.314 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.863 -6.275 -9.608 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.709 -8.455 -11.678 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.659 -8.407 -10.206 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.223 -9.846 -10.535 1.00 0.00 H new ATOM 0 HD3 PRO A 54 0.995 -9.514 -8.997 1.00 0.00 H new ATOM 767 N LYS A 55 -0.841 -7.174 -12.378 1.00 0.00 N ATOM 768 CA LYS A 55 -1.616 -6.945 -13.627 1.00 0.00 C ATOM 769 C LYS A 55 -3.108 -7.181 -13.373 1.00 0.00 C ATOM 770 O LYS A 55 -3.950 -6.749 -14.135 1.00 0.00 O ATOM 771 CB LYS A 55 -1.130 -7.909 -14.711 1.00 0.00 C ATOM 772 CG LYS A 55 0.140 -7.354 -15.359 1.00 0.00 C ATOM 773 CD LYS A 55 -0.011 -7.382 -16.882 1.00 0.00 C ATOM 774 CE LYS A 55 0.556 -6.090 -17.472 1.00 0.00 C ATOM 775 NZ LYS A 55 -0.261 -4.932 -17.010 1.00 0.00 N ATOM 0 H LYS A 55 -0.164 -7.936 -12.422 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.467 -5.915 -13.953 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.931 -8.889 -14.278 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.905 -8.045 -15.465 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.319 -6.334 -15.019 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.004 -7.946 -15.057 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.513 -8.244 -17.295 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.062 -7.488 -17.153 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.594 -5.962 -17.165 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.550 -6.142 -18.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.301 -4.214 -17.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.225 -5.254 -16.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.171 -4.520 -16.159 1.00 0.00 H new ATOM 789 N GLN A 56 -3.447 -7.863 -12.312 1.00 0.00 N ATOM 790 CA GLN A 56 -4.887 -8.122 -12.028 1.00 0.00 C ATOM 791 C GLN A 56 -5.470 -6.952 -11.234 1.00 0.00 C ATOM 792 O GLN A 56 -6.572 -6.505 -11.486 1.00 0.00 O ATOM 793 CB GLN A 56 -5.023 -9.412 -11.217 1.00 0.00 C ATOM 794 CG GLN A 56 -6.178 -10.248 -11.772 1.00 0.00 C ATOM 795 CD GLN A 56 -5.675 -11.655 -12.099 1.00 0.00 C ATOM 796 OE1 GLN A 56 -5.354 -12.420 -11.211 1.00 0.00 O ATOM 797 NE2 GLN A 56 -5.592 -12.032 -13.345 1.00 0.00 N ATOM 0 H GLN A 56 -2.792 -8.250 -11.633 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.430 -8.226 -12.967 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.094 -9.981 -11.262 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.202 -9.177 -10.168 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.987 -10.299 -11.044 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.584 -9.778 -12.667 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.861 -11.391 -14.091 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.258 -12.968 -13.573 1.00 0.00 H new ATOM 806 N VAL A 57 -4.734 -6.444 -10.283 1.00 0.00 N ATOM 807 CA VAL A 57 -5.243 -5.295 -9.483 1.00 0.00 C ATOM 808 C VAL A 57 -5.064 -3.996 -10.269 1.00 0.00 C ATOM 809 O VAL A 57 -5.372 -2.926 -9.785 1.00 0.00 O ATOM 810 CB VAL A 57 -4.468 -5.200 -8.169 1.00 0.00 C ATOM 811 CG1 VAL A 57 -4.600 -6.521 -7.414 1.00 0.00 C ATOM 812 CG2 VAL A 57 -2.988 -4.913 -8.459 1.00 0.00 C ATOM 0 H VAL A 57 -3.804 -6.775 -10.026 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.301 -5.449 -9.273 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.873 -4.390 -7.563 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.049 -6.460 -6.475 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.652 -6.717 -7.206 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.193 -7.329 -8.021 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.439 -4.846 -7.519 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.573 -5.719 -9.065 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.899 -3.970 -8.999 1.00 0.00 H new ATOM 822 N ILE A 58 -4.561 -4.070 -11.474 1.00 0.00 N ATOM 823 CA ILE A 58 -4.370 -2.829 -12.261 1.00 0.00 C ATOM 824 C ILE A 58 -5.734 -2.297 -12.690 1.00 0.00 C ATOM 825 O ILE A 58 -6.501 -2.964 -13.357 1.00 0.00 O ATOM 826 CB ILE A 58 -3.440 -3.124 -13.462 1.00 0.00 C ATOM 827 CG1 ILE A 58 -2.048 -2.607 -13.112 1.00 0.00 C ATOM 828 CG2 ILE A 58 -3.913 -2.429 -14.750 1.00 0.00 C ATOM 829 CD1 ILE A 58 -1.027 -3.157 -14.111 1.00 0.00 C ATOM 0 H ILE A 58 -4.278 -4.932 -11.939 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.890 -2.055 -11.662 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.444 -4.198 -13.646 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.039 -1.517 -13.131 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.781 -2.911 -12.100 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.228 -2.666 -15.564 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.914 -2.777 -15.005 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.933 -1.350 -14.595 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.034 -2.786 -13.858 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.028 -4.246 -14.070 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.291 -2.831 -15.117 1.00 0.00 H new ATOM 841 N GLY A 59 -6.036 -1.099 -12.295 1.00 0.00 N ATOM 842 CA GLY A 59 -7.351 -0.507 -12.655 1.00 0.00 C ATOM 843 C GLY A 59 -8.372 -0.842 -11.566 1.00 0.00 C ATOM 844 O GLY A 59 -9.441 -0.266 -11.510 1.00 0.00 O ATOM 0 H GLY A 59 -5.428 -0.500 -11.736 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.259 0.574 -12.763 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.687 -0.896 -13.616 1.00 0.00 H new ATOM 848 N LYS A 60 -8.056 -1.766 -10.695 1.00 0.00 N ATOM 849 CA LYS A 60 -9.010 -2.123 -9.615 1.00 0.00 C ATOM 850 C LYS A 60 -8.933 -1.069 -8.513 1.00 0.00 C ATOM 851 O LYS A 60 -7.866 -0.599 -8.161 1.00 0.00 O ATOM 852 CB LYS A 60 -8.637 -3.490 -9.030 1.00 0.00 C ATOM 853 CG LYS A 60 -8.445 -4.500 -10.161 1.00 0.00 C ATOM 854 CD LYS A 60 -9.752 -4.648 -10.941 1.00 0.00 C ATOM 855 CE LYS A 60 -9.700 -5.918 -11.792 1.00 0.00 C ATOM 856 NZ LYS A 60 -10.315 -7.047 -11.037 1.00 0.00 N ATOM 0 H LYS A 60 -7.178 -2.285 -10.689 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.021 -2.165 -10.021 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.722 -3.408 -8.444 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.420 -3.832 -8.353 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.648 -4.169 -10.826 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.141 -5.464 -9.754 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.595 -4.694 -10.252 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.908 -3.777 -11.578 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.232 -5.762 -12.731 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.667 -6.156 -12.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.280 -7.911 -11.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.789 -7.200 -10.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.305 -6.818 -10.816 1.00 0.00 H new ATOM 870 N ASN A 61 -10.055 -0.697 -7.963 1.00 0.00 N ATOM 871 CA ASN A 61 -10.049 0.319 -6.877 1.00 0.00 C ATOM 872 C ASN A 61 -9.688 -0.379 -5.567 1.00 0.00 C ATOM 873 O ASN A 61 -10.530 -0.960 -4.915 1.00 0.00 O ATOM 874 CB ASN A 61 -11.444 0.939 -6.759 1.00 0.00 C ATOM 875 CG ASN A 61 -11.351 2.449 -6.982 1.00 0.00 C ATOM 876 OD1 ASN A 61 -11.968 3.218 -6.273 1.00 0.00 O ATOM 877 ND2 ASN A 61 -10.603 2.910 -7.947 1.00 0.00 N ATOM 0 H ASN A 61 -10.976 -1.053 -8.219 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.325 1.104 -7.095 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.115 0.493 -7.493 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.864 0.731 -5.775 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.537 3.915 -8.105 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.084 2.265 -8.543 1.00 0.00 H new ATOM 884 N PHE A 62 -8.442 -0.340 -5.176 1.00 0.00 N ATOM 885 CA PHE A 62 -8.046 -1.024 -3.908 1.00 0.00 C ATOM 886 C PHE A 62 -8.908 -0.513 -2.756 1.00 0.00 C ATOM 887 O PHE A 62 -9.199 -1.228 -1.818 1.00 0.00 O ATOM 888 CB PHE A 62 -6.567 -0.730 -3.605 1.00 0.00 C ATOM 889 CG PHE A 62 -6.265 -0.973 -2.135 1.00 0.00 C ATOM 890 CD1 PHE A 62 -6.324 -2.268 -1.612 1.00 0.00 C ATOM 891 CD2 PHE A 62 -5.927 0.100 -1.304 1.00 0.00 C ATOM 892 CE1 PHE A 62 -6.036 -2.493 -0.260 1.00 0.00 C ATOM 893 CE2 PHE A 62 -5.641 -0.122 0.048 1.00 0.00 C ATOM 894 CZ PHE A 62 -5.692 -1.419 0.569 1.00 0.00 C ATOM 0 H PHE A 62 -7.686 0.131 -5.674 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.190 -2.099 -4.020 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.930 -1.364 -4.222 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.335 0.303 -3.864 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.592 -3.096 -2.251 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.887 1.101 -1.706 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.079 -3.494 0.143 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.381 0.708 0.689 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.466 -1.592 1.611 1.00 0.00 H new ATOM 904 N PHE A 63 -9.261 0.726 -2.797 1.00 0.00 N ATOM 905 CA PHE A 63 -10.044 1.301 -1.674 1.00 0.00 C ATOM 906 C PHE A 63 -11.527 0.944 -1.792 1.00 0.00 C ATOM 907 O PHE A 63 -12.250 0.950 -0.815 1.00 0.00 O ATOM 908 CB PHE A 63 -9.885 2.819 -1.676 1.00 0.00 C ATOM 909 CG PHE A 63 -8.834 3.198 -0.667 1.00 0.00 C ATOM 910 CD1 PHE A 63 -9.095 3.046 0.697 1.00 0.00 C ATOM 911 CD2 PHE A 63 -7.599 3.694 -1.095 1.00 0.00 C ATOM 912 CE1 PHE A 63 -8.122 3.394 1.637 1.00 0.00 C ATOM 913 CE2 PHE A 63 -6.622 4.042 -0.153 1.00 0.00 C ATOM 914 CZ PHE A 63 -6.885 3.892 1.213 1.00 0.00 C ATOM 0 H PHE A 63 -9.045 1.372 -3.556 1.00 0.00 H new ATOM 0 HA PHE A 63 -9.666 0.883 -0.741 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -9.598 3.167 -2.668 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -10.833 3.298 -1.432 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -10.049 2.660 1.025 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.398 3.809 -2.150 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.325 3.279 2.692 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.667 4.426 -0.481 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.133 4.161 1.940 1.00 0.00 H new ATOM 924 N LYS A 64 -11.994 0.645 -2.969 1.00 0.00 N ATOM 925 CA LYS A 64 -13.436 0.306 -3.124 1.00 0.00 C ATOM 926 C LYS A 64 -13.606 -0.708 -4.252 1.00 0.00 C ATOM 927 O LYS A 64 -14.433 -0.543 -5.126 1.00 0.00 O ATOM 928 CB LYS A 64 -14.221 1.577 -3.457 1.00 0.00 C ATOM 929 CG LYS A 64 -15.715 1.334 -3.234 1.00 0.00 C ATOM 930 CD LYS A 64 -16.523 2.308 -4.095 1.00 0.00 C ATOM 931 CE LYS A 64 -17.744 2.793 -3.312 1.00 0.00 C ATOM 932 NZ LYS A 64 -18.971 2.603 -4.136 1.00 0.00 N ATOM 0 H LYS A 64 -11.444 0.620 -3.828 1.00 0.00 H new ATOM 0 HA LYS A 64 -13.811 -0.123 -2.195 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -13.879 2.401 -2.831 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.040 1.867 -4.492 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -15.970 0.306 -3.492 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -15.964 1.470 -2.181 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.902 3.157 -4.382 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -16.840 1.819 -5.016 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.832 2.241 -2.377 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -17.628 3.845 -3.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -19.801 2.933 -3.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -18.885 3.149 -5.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -19.084 1.594 -4.363 1.00 0.00 H new ATOM 946 N ASP A 65 -12.834 -1.759 -4.243 1.00 0.00 N ATOM 947 CA ASP A 65 -12.969 -2.774 -5.326 1.00 0.00 C ATOM 948 C ASP A 65 -12.070 -3.989 -5.058 1.00 0.00 C ATOM 949 O ASP A 65 -12.380 -5.091 -5.467 1.00 0.00 O ATOM 950 CB ASP A 65 -12.580 -2.140 -6.662 1.00 0.00 C ATOM 951 CG ASP A 65 -13.321 -2.851 -7.796 1.00 0.00 C ATOM 952 OD1 ASP A 65 -13.635 -4.019 -7.630 1.00 0.00 O ATOM 953 OD2 ASP A 65 -13.564 -2.215 -8.808 1.00 0.00 O ATOM 0 H ASP A 65 -12.122 -1.958 -3.540 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.005 -3.112 -5.357 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.828 -1.079 -6.660 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.503 -2.215 -6.813 1.00 0.00 H new ATOM 958 N VAL A 66 -10.962 -3.816 -4.381 1.00 0.00 N ATOM 959 CA VAL A 66 -10.079 -4.977 -4.109 1.00 0.00 C ATOM 960 C VAL A 66 -10.212 -5.366 -2.657 1.00 0.00 C ATOM 961 O VAL A 66 -10.525 -6.485 -2.305 1.00 0.00 O ATOM 962 CB VAL A 66 -8.621 -4.579 -4.307 1.00 0.00 C ATOM 963 CG1 VAL A 66 -7.762 -5.835 -4.294 1.00 0.00 C ATOM 964 CG2 VAL A 66 -8.434 -3.829 -5.620 1.00 0.00 C ATOM 0 H VAL A 66 -10.637 -2.923 -4.009 1.00 0.00 H new ATOM 0 HA VAL A 66 -10.361 -5.789 -4.779 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.320 -3.914 -3.498 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.716 -5.562 -4.435 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.878 -6.345 -3.338 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.076 -6.499 -5.100 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.385 -3.556 -5.737 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.738 -4.467 -6.450 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -9.045 -2.926 -5.614 1.00 0.00 H new ATOM 974 N ALA A 67 -9.919 -4.428 -1.820 1.00 0.00 N ATOM 975 CA ALA A 67 -9.950 -4.659 -0.371 1.00 0.00 C ATOM 976 C ALA A 67 -11.266 -4.130 0.213 1.00 0.00 C ATOM 977 O ALA A 67 -11.434 -2.933 0.340 1.00 0.00 O ATOM 978 CB ALA A 67 -8.781 -3.883 0.214 1.00 0.00 C ATOM 0 H ALA A 67 -9.651 -3.482 -2.092 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.879 -5.722 -0.138 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.757 -4.021 1.295 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.849 -4.247 -0.219 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.897 -2.823 -0.014 1.00 0.00 H new ATOM 984 N PRO A 68 -12.163 -5.026 0.578 1.00 0.00 N ATOM 985 CA PRO A 68 -13.452 -4.631 1.169 1.00 0.00 C ATOM 986 C PRO A 68 -13.254 -4.238 2.638 1.00 0.00 C ATOM 987 O PRO A 68 -14.192 -3.908 3.335 1.00 0.00 O ATOM 988 CB PRO A 68 -14.310 -5.894 1.051 1.00 0.00 C ATOM 989 CG PRO A 68 -13.326 -7.081 0.933 1.00 0.00 C ATOM 990 CD PRO A 68 -11.986 -6.494 0.449 1.00 0.00 C ATOM 0 HA PRO A 68 -13.908 -3.772 0.677 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -14.954 -6.009 1.923 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.961 -5.841 0.178 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.205 -7.582 1.894 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.699 -7.826 0.230 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.153 -6.849 1.056 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.775 -6.781 -0.581 1.00 0.00 H new ATOM 998 N CYS A 69 -12.034 -4.280 3.116 1.00 0.00 N ATOM 999 CA CYS A 69 -11.766 -3.923 4.527 1.00 0.00 C ATOM 1000 C CYS A 69 -11.068 -2.553 4.594 1.00 0.00 C ATOM 1001 O CYS A 69 -11.053 -1.903 5.620 1.00 0.00 O ATOM 1002 CB CYS A 69 -10.874 -5.021 5.142 1.00 0.00 C ATOM 1003 SG CYS A 69 -9.139 -4.809 4.633 1.00 0.00 S ATOM 0 H CYS A 69 -11.211 -4.550 2.577 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.698 -3.854 5.087 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -10.945 -4.986 6.229 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -11.231 -6.002 4.830 1.00 0.00 H new ATOM 0 HG CYS A 69 -8.500 -5.929 4.794 1.00 0.00 H new ATOM 1008 N THR A 70 -10.478 -2.118 3.508 1.00 0.00 N ATOM 1009 CA THR A 70 -9.772 -0.807 3.517 1.00 0.00 C ATOM 1010 C THR A 70 -10.760 0.326 3.222 1.00 0.00 C ATOM 1011 O THR A 70 -10.373 1.460 3.021 1.00 0.00 O ATOM 1012 CB THR A 70 -8.662 -0.821 2.460 1.00 0.00 C ATOM 1013 OG1 THR A 70 -9.160 -1.388 1.256 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.490 -1.662 2.968 1.00 0.00 C ATOM 0 H THR A 70 -10.457 -2.616 2.618 1.00 0.00 H new ATOM 0 HA THR A 70 -9.334 -0.641 4.501 1.00 0.00 H new ATOM 0 HB THR A 70 -8.327 0.199 2.271 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.727 -0.959 0.489 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.699 -1.674 2.218 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.107 -1.231 3.893 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.828 -2.681 3.155 1.00 0.00 H new ATOM 1022 N ASP A 71 -12.034 0.034 3.205 1.00 0.00 N ATOM 1023 CA ASP A 71 -13.040 1.098 2.937 1.00 0.00 C ATOM 1024 C ASP A 71 -13.759 1.444 4.245 1.00 0.00 C ATOM 1025 O ASP A 71 -14.959 1.303 4.361 1.00 0.00 O ATOM 1026 CB ASP A 71 -14.057 0.586 1.914 1.00 0.00 C ATOM 1027 CG ASP A 71 -14.537 1.745 1.041 1.00 0.00 C ATOM 1028 OD1 ASP A 71 -13.789 2.697 0.889 1.00 0.00 O ATOM 1029 OD2 ASP A 71 -15.644 1.660 0.537 1.00 0.00 O ATOM 0 H ASP A 71 -12.419 -0.897 3.365 1.00 0.00 H new ATOM 0 HA ASP A 71 -12.546 1.986 2.543 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -13.605 -0.187 1.293 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -14.904 0.129 2.426 1.00 0.00 H new ATOM 1034 N SER A 72 -13.028 1.887 5.233 1.00 0.00 N ATOM 1035 CA SER A 72 -13.663 2.232 6.538 1.00 0.00 C ATOM 1036 C SER A 72 -12.951 3.448 7.155 1.00 0.00 C ATOM 1037 O SER A 72 -11.972 3.922 6.606 1.00 0.00 O ATOM 1038 CB SER A 72 -13.540 1.040 7.486 1.00 0.00 C ATOM 1039 OG SER A 72 -14.839 0.600 7.860 1.00 0.00 O ATOM 0 H SER A 72 -12.018 2.025 5.193 1.00 0.00 H new ATOM 0 HA SER A 72 -14.714 2.472 6.379 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.995 0.230 7.001 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.970 1.322 8.371 1.00 0.00 H new ATOM 0 HG SER A 72 -14.763 -0.166 8.467 1.00 0.00 H new ATOM 1045 N PRO A 73 -13.458 3.917 8.284 1.00 0.00 N ATOM 1046 CA PRO A 73 -12.877 5.075 8.990 1.00 0.00 C ATOM 1047 C PRO A 73 -11.607 4.661 9.741 1.00 0.00 C ATOM 1048 O PRO A 73 -11.611 4.454 10.938 1.00 0.00 O ATOM 1049 CB PRO A 73 -13.980 5.506 9.961 1.00 0.00 C ATOM 1050 CG PRO A 73 -14.891 4.273 10.164 1.00 0.00 C ATOM 1051 CD PRO A 73 -14.649 3.342 8.960 1.00 0.00 C ATOM 0 HA PRO A 73 -12.580 5.880 8.318 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.555 5.835 10.909 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.547 6.345 9.557 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.654 3.766 11.099 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.938 4.570 10.219 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -14.468 2.316 9.281 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -15.512 3.320 8.295 1.00 0.00 H new ATOM 1059 N GLU A 74 -10.526 4.537 9.029 1.00 0.00 N ATOM 1060 CA GLU A 74 -9.234 4.133 9.647 1.00 0.00 C ATOM 1061 C GLU A 74 -8.249 3.882 8.512 1.00 0.00 C ATOM 1062 O GLU A 74 -7.085 4.221 8.582 1.00 0.00 O ATOM 1063 CB GLU A 74 -9.424 2.851 10.451 1.00 0.00 C ATOM 1064 CG GLU A 74 -8.852 3.033 11.858 1.00 0.00 C ATOM 1065 CD GLU A 74 -8.108 1.763 12.276 1.00 0.00 C ATOM 1066 OE1 GLU A 74 -7.514 1.136 11.413 1.00 0.00 O ATOM 1067 OE2 GLU A 74 -8.143 1.439 13.451 1.00 0.00 O ATOM 0 H GLU A 74 -10.482 4.702 8.023 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.867 4.910 10.317 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.483 2.600 10.509 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.927 2.020 9.951 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.175 3.887 11.879 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.655 3.245 12.564 1.00 0.00 H new ATOM 1074 N PHE A 75 -8.738 3.316 7.449 1.00 0.00 N ATOM 1075 CA PHE A 75 -7.884 3.062 6.265 1.00 0.00 C ATOM 1076 C PHE A 75 -8.275 4.096 5.213 1.00 0.00 C ATOM 1077 O PHE A 75 -7.532 5.016 4.914 1.00 0.00 O ATOM 1078 CB PHE A 75 -8.144 1.649 5.738 1.00 0.00 C ATOM 1079 CG PHE A 75 -6.861 1.073 5.189 1.00 0.00 C ATOM 1080 CD1 PHE A 75 -6.373 1.517 3.960 1.00 0.00 C ATOM 1081 CD2 PHE A 75 -6.164 0.097 5.909 1.00 0.00 C ATOM 1082 CE1 PHE A 75 -5.187 0.991 3.444 1.00 0.00 C ATOM 1083 CE2 PHE A 75 -4.974 -0.433 5.395 1.00 0.00 C ATOM 1084 CZ PHE A 75 -4.484 0.014 4.161 1.00 0.00 C ATOM 0 H PHE A 75 -9.708 3.015 7.351 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.825 3.140 6.513 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.526 1.015 6.538 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.906 1.674 4.959 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.914 2.270 3.406 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.543 -0.247 6.860 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.812 1.337 2.492 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.434 -1.186 5.950 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.566 -0.394 3.763 1.00 0.00 H new ATOM 1094 N TYR A 76 -9.467 3.992 4.691 1.00 0.00 N ATOM 1095 CA TYR A 76 -9.920 5.005 3.707 1.00 0.00 C ATOM 1096 C TYR A 76 -10.216 6.297 4.468 1.00 0.00 C ATOM 1097 O TYR A 76 -10.281 7.354 3.895 1.00 0.00 O ATOM 1098 CB TYR A 76 -11.184 4.524 2.988 1.00 0.00 C ATOM 1099 CG TYR A 76 -11.450 5.400 1.782 1.00 0.00 C ATOM 1100 CD1 TYR A 76 -10.404 5.744 0.912 1.00 0.00 C ATOM 1101 CD2 TYR A 76 -12.747 5.862 1.529 1.00 0.00 C ATOM 1102 CE1 TYR A 76 -10.657 6.549 -0.207 1.00 0.00 C ATOM 1103 CE2 TYR A 76 -12.999 6.667 0.412 1.00 0.00 C ATOM 1104 CZ TYR A 76 -11.956 7.011 -0.456 1.00 0.00 C ATOM 1105 OH TYR A 76 -12.207 7.804 -1.557 1.00 0.00 O ATOM 0 H TYR A 76 -10.139 3.255 4.903 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.147 5.169 2.957 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.064 3.486 2.676 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -12.035 4.556 3.668 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.403 5.388 1.105 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -13.554 5.597 2.196 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.852 6.813 -0.876 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -14.000 7.023 0.219 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.125 7.653 -1.867 1.00 0.00 H new ATOM 1115 N GLY A 77 -10.390 6.210 5.766 1.00 0.00 N ATOM 1116 CA GLY A 77 -10.657 7.428 6.583 1.00 0.00 C ATOM 1117 C GLY A 77 -9.448 8.360 6.528 1.00 0.00 C ATOM 1118 O GLY A 77 -9.522 9.472 6.044 1.00 0.00 O ATOM 0 H GLY A 77 -10.357 5.338 6.295 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.542 7.942 6.208 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.865 7.147 7.615 1.00 0.00 H new ATOM 1122 N LYS A 78 -8.332 7.912 7.037 1.00 0.00 N ATOM 1123 CA LYS A 78 -7.107 8.768 7.035 1.00 0.00 C ATOM 1124 C LYS A 78 -6.714 9.105 5.604 1.00 0.00 C ATOM 1125 O LYS A 78 -5.963 10.023 5.352 1.00 0.00 O ATOM 1126 CB LYS A 78 -5.966 8.034 7.750 1.00 0.00 C ATOM 1127 CG LYS A 78 -6.497 7.328 9.013 1.00 0.00 C ATOM 1128 CD LYS A 78 -7.604 8.164 9.683 1.00 0.00 C ATOM 1129 CE LYS A 78 -7.522 8.019 11.203 1.00 0.00 C ATOM 1130 NZ LYS A 78 -8.565 8.873 11.835 1.00 0.00 N ATOM 0 H LYS A 78 -8.214 6.989 7.455 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.312 9.698 7.565 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.516 7.303 7.078 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.183 8.741 8.022 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.887 6.345 8.749 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.680 7.168 9.716 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.499 9.212 9.403 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.582 7.837 9.331 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.666 6.977 11.489 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.533 8.312 11.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.512 8.777 12.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.407 9.866 11.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.505 8.573 11.507 1.00 0.00 H new ATOM 1144 N PHE A 79 -7.219 8.369 4.668 1.00 0.00 N ATOM 1145 CA PHE A 79 -6.905 8.632 3.252 1.00 0.00 C ATOM 1146 C PHE A 79 -7.802 9.748 2.730 1.00 0.00 C ATOM 1147 O PHE A 79 -7.383 10.572 1.962 1.00 0.00 O ATOM 1148 CB PHE A 79 -7.173 7.350 2.482 1.00 0.00 C ATOM 1149 CG PHE A 79 -7.086 7.556 0.982 1.00 0.00 C ATOM 1150 CD1 PHE A 79 -8.117 8.227 0.307 1.00 0.00 C ATOM 1151 CD2 PHE A 79 -5.996 7.049 0.260 1.00 0.00 C ATOM 1152 CE1 PHE A 79 -8.057 8.386 -1.080 1.00 0.00 C ATOM 1153 CE2 PHE A 79 -5.942 7.213 -1.123 1.00 0.00 C ATOM 1154 CZ PHE A 79 -6.971 7.876 -1.793 1.00 0.00 C ATOM 0 H PHE A 79 -7.848 7.582 4.829 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.866 8.940 3.134 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.454 6.589 2.785 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.163 6.974 2.739 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.957 8.621 0.860 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.200 6.532 0.775 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.850 8.903 -1.600 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.101 6.825 -1.678 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.927 7.995 -2.866 1.00 0.00 H new ATOM 1164 N LYS A 80 -9.035 9.774 3.135 1.00 0.00 N ATOM 1165 CA LYS A 80 -9.947 10.826 2.651 1.00 0.00 C ATOM 1166 C LYS A 80 -9.625 12.137 3.355 1.00 0.00 C ATOM 1167 O LYS A 80 -10.056 13.194 2.939 1.00 0.00 O ATOM 1168 CB LYS A 80 -11.394 10.424 2.942 1.00 0.00 C ATOM 1169 CG LYS A 80 -11.959 9.645 1.752 1.00 0.00 C ATOM 1170 CD LYS A 80 -13.455 9.937 1.617 1.00 0.00 C ATOM 1171 CE LYS A 80 -13.769 10.351 0.177 1.00 0.00 C ATOM 1172 NZ LYS A 80 -12.921 11.515 -0.202 1.00 0.00 N ATOM 0 H LYS A 80 -9.449 9.105 3.785 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.820 10.952 1.576 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.438 9.813 3.844 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.998 11.312 3.129 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.438 9.928 0.837 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.797 8.576 1.893 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -14.034 9.054 1.887 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.745 10.731 2.306 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.585 9.517 -0.501 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.824 10.610 0.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.479 12.179 -0.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.588 11.996 0.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.103 11.184 -0.753 1.00 0.00 H new ATOM 1186 N GLU A 81 -8.848 12.086 4.402 1.00 0.00 N ATOM 1187 CA GLU A 81 -8.493 13.362 5.093 1.00 0.00 C ATOM 1188 C GLU A 81 -7.121 13.802 4.601 1.00 0.00 C ATOM 1189 O GLU A 81 -6.865 14.972 4.401 1.00 0.00 O ATOM 1190 CB GLU A 81 -8.510 13.213 6.620 1.00 0.00 C ATOM 1191 CG GLU A 81 -7.714 11.989 7.050 1.00 0.00 C ATOM 1192 CD GLU A 81 -6.654 12.407 8.070 1.00 0.00 C ATOM 1193 OE1 GLU A 81 -6.000 13.409 7.835 1.00 0.00 O ATOM 1194 OE2 GLU A 81 -6.518 11.722 9.070 1.00 0.00 O ATOM 0 H GLU A 81 -8.450 11.237 4.804 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.239 14.119 4.853 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.091 14.107 7.082 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.538 13.126 6.970 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -8.379 11.243 7.485 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -7.240 11.527 6.184 1.00 0.00 H new ATOM 1201 N GLY A 82 -6.247 12.864 4.365 1.00 0.00 N ATOM 1202 CA GLY A 82 -4.905 13.222 3.835 1.00 0.00 C ATOM 1203 C GLY A 82 -5.113 13.819 2.446 1.00 0.00 C ATOM 1204 O GLY A 82 -4.474 14.775 2.056 1.00 0.00 O ATOM 0 H GLY A 82 -6.405 11.868 4.516 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.411 13.938 4.491 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.264 12.342 3.783 1.00 0.00 H new ATOM 1208 N VAL A 83 -6.025 13.248 1.705 1.00 0.00 N ATOM 1209 CA VAL A 83 -6.326 13.755 0.334 1.00 0.00 C ATOM 1210 C VAL A 83 -6.872 15.185 0.414 1.00 0.00 C ATOM 1211 O VAL A 83 -6.403 16.077 -0.265 1.00 0.00 O ATOM 1212 CB VAL A 83 -7.387 12.854 -0.309 1.00 0.00 C ATOM 1213 CG1 VAL A 83 -7.755 13.386 -1.695 1.00 0.00 C ATOM 1214 CG2 VAL A 83 -6.842 11.433 -0.440 1.00 0.00 C ATOM 0 H VAL A 83 -6.580 12.443 1.994 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.413 13.749 -0.261 1.00 0.00 H new ATOM 0 HB VAL A 83 -8.276 12.848 0.321 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.509 12.740 -2.144 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.152 14.397 -1.603 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.867 13.401 -2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.598 10.794 -0.897 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.949 11.442 -1.064 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.590 11.047 0.548 1.00 0.00 H new ATOM 1224 N ALA A 84 -7.874 15.405 1.223 1.00 0.00 N ATOM 1225 CA ALA A 84 -8.468 16.770 1.331 1.00 0.00 C ATOM 1226 C ALA A 84 -7.618 17.663 2.243 1.00 0.00 C ATOM 1227 O ALA A 84 -7.909 18.828 2.420 1.00 0.00 O ATOM 1228 CB ALA A 84 -9.878 16.660 1.911 1.00 0.00 C ATOM 0 H ALA A 84 -8.308 14.697 1.815 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.501 17.216 0.337 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.317 17.655 1.992 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.494 16.044 1.256 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.830 16.203 2.899 1.00 0.00 H new ATOM 1234 N SER A 85 -6.577 17.137 2.826 1.00 0.00 N ATOM 1235 CA SER A 85 -5.732 17.976 3.723 1.00 0.00 C ATOM 1236 C SER A 85 -4.532 18.514 2.943 1.00 0.00 C ATOM 1237 O SER A 85 -4.020 19.578 3.230 1.00 0.00 O ATOM 1238 CB SER A 85 -5.237 17.130 4.896 1.00 0.00 C ATOM 1239 OG SER A 85 -4.211 17.836 5.584 1.00 0.00 O ATOM 0 H SER A 85 -6.275 16.168 2.722 1.00 0.00 H new ATOM 0 HA SER A 85 -6.324 18.811 4.099 1.00 0.00 H new ATOM 0 HB2 SER A 85 -6.061 16.910 5.575 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.858 16.174 4.535 1.00 0.00 H new ATOM 0 HG SER A 85 -3.892 17.297 6.338 1.00 0.00 H new ATOM 1245 N GLY A 86 -4.077 17.787 1.963 1.00 0.00 N ATOM 1246 CA GLY A 86 -2.907 18.254 1.169 1.00 0.00 C ATOM 1247 C GLY A 86 -1.622 17.638 1.733 1.00 0.00 C ATOM 1248 O GLY A 86 -0.530 18.075 1.428 1.00 0.00 O ATOM 0 H GLY A 86 -4.465 16.888 1.677 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.029 17.972 0.123 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.845 19.342 1.200 1.00 0.00 H new ATOM 1252 N ASN A 87 -1.740 16.626 2.552 1.00 0.00 N ATOM 1253 CA ASN A 87 -0.526 15.987 3.130 1.00 0.00 C ATOM 1254 C ASN A 87 -0.914 14.643 3.751 1.00 0.00 C ATOM 1255 O ASN A 87 -1.209 14.549 4.926 1.00 0.00 O ATOM 1256 CB ASN A 87 0.074 16.901 4.199 1.00 0.00 C ATOM 1257 CG ASN A 87 1.222 17.709 3.590 1.00 0.00 C ATOM 1258 OD1 ASN A 87 2.313 17.203 3.419 1.00 0.00 O ATOM 1259 ND2 ASN A 87 1.021 18.954 3.251 1.00 0.00 N ATOM 0 H ASN A 87 -2.627 16.215 2.845 1.00 0.00 H new ATOM 0 HA ASN A 87 0.214 15.824 2.346 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -0.690 17.572 4.590 1.00 0.00 H new ATOM 0 HB3 ASN A 87 0.437 16.308 5.038 1.00 0.00 H new ATOM 0 HD21 ASN A 87 1.780 19.500 2.843 1.00 0.00 H new ATOM 0 HD22 ASN A 87 0.105 19.380 3.394 1.00 0.00 H new ATOM 1266 N LEU A 88 -0.920 13.604 2.962 1.00 0.00 N ATOM 1267 CA LEU A 88 -1.296 12.258 3.482 1.00 0.00 C ATOM 1268 C LEU A 88 -0.136 11.660 4.279 1.00 0.00 C ATOM 1269 O LEU A 88 0.958 11.504 3.783 1.00 0.00 O ATOM 1270 CB LEU A 88 -1.630 11.338 2.307 1.00 0.00 C ATOM 1271 CG LEU A 88 -2.731 10.358 2.716 1.00 0.00 C ATOM 1272 CD1 LEU A 88 -3.876 10.427 1.704 1.00 0.00 C ATOM 1273 CD2 LEU A 88 -2.165 8.937 2.746 1.00 0.00 C ATOM 0 H LEU A 88 -0.679 13.630 1.971 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.164 12.357 4.134 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.956 11.929 1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.740 10.791 1.997 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.102 10.623 3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.661 9.729 1.995 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.281 11.439 1.681 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.503 10.162 0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.950 8.239 3.037 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.793 8.672 1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.348 8.886 3.466 1.00 0.00 H new ATOM 1285 N ASN A 89 -0.373 11.322 5.513 1.00 0.00 N ATOM 1286 CA ASN A 89 0.706 10.726 6.349 1.00 0.00 C ATOM 1287 C ASN A 89 0.061 10.008 7.534 1.00 0.00 C ATOM 1288 O ASN A 89 -0.051 10.557 8.612 1.00 0.00 O ATOM 1289 CB ASN A 89 1.630 11.835 6.858 1.00 0.00 C ATOM 1290 CG ASN A 89 2.904 11.216 7.437 1.00 0.00 C ATOM 1291 OD1 ASN A 89 3.728 10.700 6.709 1.00 0.00 O ATOM 1292 ND2 ASN A 89 3.103 11.251 8.727 1.00 0.00 N ATOM 0 H ASN A 89 -1.272 11.433 5.982 1.00 0.00 H new ATOM 0 HA ASN A 89 1.291 10.020 5.760 1.00 0.00 H new ATOM 0 HB2 ASN A 89 1.881 12.515 6.044 1.00 0.00 H new ATOM 0 HB3 ASN A 89 1.121 12.425 7.620 1.00 0.00 H new ATOM 0 HD21 ASN A 89 3.951 10.845 9.123 1.00 0.00 H new ATOM 0 HD22 ASN A 89 2.411 11.684 9.338 1.00 0.00 H new ATOM 1299 N THR A 90 -0.392 8.797 7.344 1.00 0.00 N ATOM 1300 CA THR A 90 -1.054 8.084 8.474 1.00 0.00 C ATOM 1301 C THR A 90 -0.429 6.705 8.701 1.00 0.00 C ATOM 1302 O THR A 90 0.356 6.218 7.912 1.00 0.00 O ATOM 1303 CB THR A 90 -2.544 7.923 8.167 1.00 0.00 C ATOM 1304 OG1 THR A 90 -3.186 7.296 9.267 1.00 0.00 O ATOM 1305 CG2 THR A 90 -2.719 7.066 6.913 1.00 0.00 C ATOM 0 H THR A 90 -0.334 8.277 6.468 1.00 0.00 H new ATOM 0 HA THR A 90 -0.918 8.674 9.380 1.00 0.00 H new ATOM 0 HB THR A 90 -2.989 8.903 7.997 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.726 6.544 8.945 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.781 6.952 6.695 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.226 7.550 6.070 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.275 6.084 7.078 1.00 0.00 H new ATOM 1313 N MET A 91 -0.784 6.082 9.793 1.00 0.00 N ATOM 1314 CA MET A 91 -0.241 4.735 10.128 1.00 0.00 C ATOM 1315 C MET A 91 -1.183 4.078 11.135 1.00 0.00 C ATOM 1316 O MET A 91 -1.816 4.742 11.930 1.00 0.00 O ATOM 1317 CB MET A 91 1.148 4.891 10.752 1.00 0.00 C ATOM 1318 CG MET A 91 1.811 3.518 10.883 1.00 0.00 C ATOM 1319 SD MET A 91 2.584 3.374 12.513 1.00 0.00 S ATOM 1320 CE MET A 91 4.265 3.806 12.005 1.00 0.00 C ATOM 0 H MET A 91 -1.439 6.458 10.479 1.00 0.00 H new ATOM 0 HA MET A 91 -0.163 4.122 9.230 1.00 0.00 H new ATOM 0 HB2 MET A 91 1.763 5.545 10.135 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.066 5.361 11.732 1.00 0.00 H new ATOM 0 HG2 MET A 91 1.070 2.730 10.749 1.00 0.00 H new ATOM 0 HG3 MET A 91 2.559 3.388 10.101 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.957 3.592 12.819 1.00 0.00 H new ATOM 0 HE2 MET A 91 4.543 3.219 11.129 1.00 0.00 H new ATOM 0 HE3 MET A 91 4.310 4.867 11.760 1.00 0.00 H new ATOM 1330 N PHE A 92 -1.283 2.783 11.108 1.00 0.00 N ATOM 1331 CA PHE A 92 -2.189 2.091 12.065 1.00 0.00 C ATOM 1332 C PHE A 92 -1.985 0.581 11.957 1.00 0.00 C ATOM 1333 O PHE A 92 -1.398 0.091 11.017 1.00 0.00 O ATOM 1334 CB PHE A 92 -3.649 2.432 11.739 1.00 0.00 C ATOM 1335 CG PHE A 92 -3.890 2.310 10.251 1.00 0.00 C ATOM 1336 CD1 PHE A 92 -4.260 1.081 9.696 1.00 0.00 C ATOM 1337 CD2 PHE A 92 -3.750 3.430 9.430 1.00 0.00 C ATOM 1338 CE1 PHE A 92 -4.487 0.972 8.318 1.00 0.00 C ATOM 1339 CE2 PHE A 92 -3.977 3.323 8.052 1.00 0.00 C ATOM 1340 CZ PHE A 92 -4.348 2.093 7.495 1.00 0.00 C ATOM 0 H PHE A 92 -0.778 2.172 10.466 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.960 2.421 13.078 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.317 1.762 12.280 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.877 3.445 12.071 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.371 0.214 10.331 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.466 4.380 9.858 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.770 0.021 7.891 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.866 4.190 7.418 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.526 2.011 6.433 1.00 0.00 H new ATOM 1350 N GLU A 93 -2.474 -0.161 12.906 1.00 0.00 N ATOM 1351 CA GLU A 93 -2.317 -1.637 12.837 1.00 0.00 C ATOM 1352 C GLU A 93 -3.593 -2.223 12.247 1.00 0.00 C ATOM 1353 O GLU A 93 -4.622 -2.275 12.892 1.00 0.00 O ATOM 1354 CB GLU A 93 -2.084 -2.201 14.241 1.00 0.00 C ATOM 1355 CG GLU A 93 -3.142 -1.647 15.200 1.00 0.00 C ATOM 1356 CD GLU A 93 -2.500 -0.624 16.140 1.00 0.00 C ATOM 1357 OE1 GLU A 93 -1.374 -0.851 16.550 1.00 0.00 O ATOM 1358 OE2 GLU A 93 -3.148 0.368 16.435 1.00 0.00 O ATOM 0 H GLU A 93 -2.974 0.188 13.724 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.461 -1.897 12.214 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.133 -3.290 14.219 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -1.087 -1.934 14.590 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.950 -1.180 14.636 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.584 -2.459 15.778 1.00 0.00 H new ATOM 1365 N TYR A 94 -3.544 -2.648 11.020 1.00 0.00 N ATOM 1366 CA TYR A 94 -4.764 -3.207 10.389 1.00 0.00 C ATOM 1367 C TYR A 94 -4.659 -4.724 10.317 1.00 0.00 C ATOM 1368 O TYR A 94 -3.705 -5.321 10.776 1.00 0.00 O ATOM 1369 CB TYR A 94 -4.910 -2.634 8.980 1.00 0.00 C ATOM 1370 CG TYR A 94 -6.364 -2.326 8.708 1.00 0.00 C ATOM 1371 CD1 TYR A 94 -7.013 -1.313 9.425 1.00 0.00 C ATOM 1372 CD2 TYR A 94 -7.062 -3.054 7.738 1.00 0.00 C ATOM 1373 CE1 TYR A 94 -8.360 -1.027 9.169 1.00 0.00 C ATOM 1374 CE2 TYR A 94 -8.407 -2.768 7.483 1.00 0.00 C ATOM 1375 CZ TYR A 94 -9.056 -1.755 8.198 1.00 0.00 C ATOM 1376 OH TYR A 94 -10.383 -1.474 7.946 1.00 0.00 O ATOM 0 H TYR A 94 -2.713 -2.632 10.428 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.636 -2.939 10.985 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.311 -1.729 8.880 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.535 -3.347 8.246 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.475 -0.752 10.175 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.562 -3.837 7.186 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.861 -0.245 9.721 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.945 -3.329 6.734 1.00 0.00 H new ATOM 0 HH TYR A 94 -10.505 -1.305 6.988 1.00 0.00 H new ATOM 1386 N THR A 95 -5.638 -5.350 9.736 1.00 0.00 N ATOM 1387 CA THR A 95 -5.616 -6.828 9.614 1.00 0.00 C ATOM 1388 C THR A 95 -6.395 -7.223 8.364 1.00 0.00 C ATOM 1389 O THR A 95 -7.604 -7.115 8.315 1.00 0.00 O ATOM 1390 CB THR A 95 -6.270 -7.462 10.843 1.00 0.00 C ATOM 1391 OG1 THR A 95 -5.561 -7.072 12.010 1.00 0.00 O ATOM 1392 CG2 THR A 95 -6.235 -8.983 10.704 1.00 0.00 C ATOM 0 H THR A 95 -6.460 -4.896 9.337 1.00 0.00 H new ATOM 0 HA THR A 95 -4.586 -7.177 9.543 1.00 0.00 H new ATOM 0 HB THR A 95 -7.305 -7.128 10.922 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.980 -7.476 12.798 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.700 -9.439 11.578 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.779 -9.279 9.807 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.200 -9.318 10.628 1.00 0.00 H new ATOM 1400 N PHE A 96 -5.716 -7.669 7.349 1.00 0.00 N ATOM 1401 CA PHE A 96 -6.428 -8.054 6.101 1.00 0.00 C ATOM 1402 C PHE A 96 -6.945 -9.485 6.224 1.00 0.00 C ATOM 1403 O PHE A 96 -6.185 -10.426 6.312 1.00 0.00 O ATOM 1404 CB PHE A 96 -5.474 -7.954 4.908 1.00 0.00 C ATOM 1405 CG PHE A 96 -4.921 -6.545 4.783 1.00 0.00 C ATOM 1406 CD1 PHE A 96 -5.646 -5.439 5.263 1.00 0.00 C ATOM 1407 CD2 PHE A 96 -3.679 -6.346 4.173 1.00 0.00 C ATOM 1408 CE1 PHE A 96 -5.123 -4.147 5.132 1.00 0.00 C ATOM 1409 CE2 PHE A 96 -3.159 -5.055 4.042 1.00 0.00 C ATOM 1410 CZ PHE A 96 -3.879 -3.954 4.521 1.00 0.00 C ATOM 0 H PHE A 96 -4.703 -7.784 7.328 1.00 0.00 H new ATOM 0 HA PHE A 96 -7.269 -7.378 5.946 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -4.655 -8.663 5.030 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -5.998 -8.227 3.992 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -6.607 -5.587 5.733 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -3.120 -7.192 3.802 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.680 -3.299 5.503 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.199 -4.907 3.570 1.00 0.00 H new ATOM 0 HZ PHE A 96 -3.475 -2.958 4.419 1.00 0.00 H new ATOM 1420 N ASP A 97 -8.237 -9.654 6.226 1.00 0.00 N ATOM 1421 CA ASP A 97 -8.804 -11.021 6.342 1.00 0.00 C ATOM 1422 C ASP A 97 -10.003 -11.161 5.407 1.00 0.00 C ATOM 1423 O ASP A 97 -11.010 -11.744 5.756 1.00 0.00 O ATOM 1424 CB ASP A 97 -9.247 -11.269 7.786 1.00 0.00 C ATOM 1425 CG ASP A 97 -9.717 -12.716 7.935 1.00 0.00 C ATOM 1426 OD1 ASP A 97 -9.020 -13.598 7.461 1.00 0.00 O ATOM 1427 OD2 ASP A 97 -10.768 -12.919 8.522 1.00 0.00 O ATOM 0 H ASP A 97 -8.923 -8.903 6.152 1.00 0.00 H new ATOM 0 HA ASP A 97 -8.045 -11.752 6.065 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -8.421 -11.072 8.470 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -10.052 -10.585 8.053 1.00 0.00 H new ATOM 1432 N TYR A 98 -9.899 -10.652 4.210 1.00 0.00 N ATOM 1433 CA TYR A 98 -11.028 -10.787 3.252 1.00 0.00 C ATOM 1434 C TYR A 98 -10.977 -12.195 2.680 1.00 0.00 C ATOM 1435 O TYR A 98 -9.899 -12.723 2.525 1.00 0.00 O ATOM 1436 CB TYR A 98 -10.876 -9.765 2.104 1.00 0.00 C ATOM 1437 CG TYR A 98 -9.621 -10.058 1.288 1.00 0.00 C ATOM 1438 CD1 TYR A 98 -9.566 -11.181 0.439 1.00 0.00 C ATOM 1439 CD2 TYR A 98 -8.508 -9.214 1.393 1.00 0.00 C ATOM 1440 CE1 TYR A 98 -8.407 -11.452 -0.290 1.00 0.00 C ATOM 1441 CE2 TYR A 98 -7.346 -9.486 0.653 1.00 0.00 C ATOM 1442 CZ TYR A 98 -7.298 -10.604 -0.186 1.00 0.00 C ATOM 1443 OH TYR A 98 -6.155 -10.875 -0.908 1.00 0.00 O ATOM 0 H TYR A 98 -9.084 -10.151 3.857 1.00 0.00 H new ATOM 0 HA TYR A 98 -11.976 -10.603 3.757 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -11.753 -9.802 1.458 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.823 -8.756 2.513 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -10.422 -11.833 0.352 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -8.544 -8.353 2.044 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -8.366 -12.317 -0.935 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -6.490 -8.832 0.732 1.00 0.00 H new ATOM 0 HH TYR A 98 -6.123 -11.831 -1.123 1.00 0.00 H new ATOM 1453 N GLN A 99 -12.122 -12.776 2.351 1.00 0.00 N ATOM 1454 CA GLN A 99 -12.203 -14.165 1.741 1.00 0.00 C ATOM 1455 C GLN A 99 -10.807 -14.805 1.607 1.00 0.00 C ATOM 1456 O GLN A 99 -10.279 -14.968 0.525 1.00 0.00 O ATOM 1457 CB GLN A 99 -12.869 -14.023 0.358 1.00 0.00 C ATOM 1458 CG GLN A 99 -12.696 -15.298 -0.471 1.00 0.00 C ATOM 1459 CD GLN A 99 -13.945 -15.530 -1.326 1.00 0.00 C ATOM 1460 OE1 GLN A 99 -14.992 -15.872 -0.812 1.00 0.00 O ATOM 1461 NE2 GLN A 99 -13.878 -15.361 -2.618 1.00 0.00 N ATOM 0 H GLN A 99 -13.031 -12.333 2.483 1.00 0.00 H new ATOM 0 HA GLN A 99 -12.787 -14.821 2.387 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -13.930 -13.808 0.482 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.433 -13.178 -0.174 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -11.817 -15.212 -1.110 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -12.530 -16.151 0.187 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -13.000 -15.074 -3.050 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -14.704 -15.516 -3.196 1.00 0.00 H new ATOM 1470 N MET A 100 -10.195 -15.118 2.713 1.00 0.00 N ATOM 1471 CA MET A 100 -8.823 -15.692 2.666 1.00 0.00 C ATOM 1472 C MET A 100 -8.311 -15.905 4.096 1.00 0.00 C ATOM 1473 O MET A 100 -9.078 -15.977 5.036 1.00 0.00 O ATOM 1474 CB MET A 100 -7.898 -14.700 1.940 1.00 0.00 C ATOM 1475 CG MET A 100 -6.942 -15.461 1.020 1.00 0.00 C ATOM 1476 SD MET A 100 -6.340 -14.349 -0.275 1.00 0.00 S ATOM 1477 CE MET A 100 -5.131 -13.451 0.731 1.00 0.00 C ATOM 0 H MET A 100 -10.586 -15.001 3.648 1.00 0.00 H new ATOM 0 HA MET A 100 -8.837 -16.646 2.139 1.00 0.00 H new ATOM 0 HB2 MET A 100 -8.491 -13.994 1.359 1.00 0.00 H new ATOM 0 HB3 MET A 100 -7.332 -14.118 2.667 1.00 0.00 H new ATOM 0 HG2 MET A 100 -6.104 -15.855 1.595 1.00 0.00 H new ATOM 0 HG3 MET A 100 -7.452 -16.315 0.573 1.00 0.00 H new ATOM 0 HE1 MET A 100 -5.277 -12.378 0.603 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.265 -13.713 1.781 1.00 0.00 H new ATOM 0 HE3 MET A 100 -4.123 -13.720 0.415 1.00 0.00 H new ATOM 1487 N THR A 101 -7.020 -15.997 4.266 1.00 0.00 N ATOM 1488 CA THR A 101 -6.450 -16.194 5.631 1.00 0.00 C ATOM 1489 C THR A 101 -6.291 -14.812 6.302 1.00 0.00 C ATOM 1490 O THR A 101 -6.146 -13.823 5.613 1.00 0.00 O ATOM 1491 CB THR A 101 -5.089 -16.918 5.497 1.00 0.00 C ATOM 1492 OG1 THR A 101 -4.765 -17.565 6.717 1.00 0.00 O ATOM 1493 CG2 THR A 101 -3.973 -15.928 5.134 1.00 0.00 C ATOM 0 H THR A 101 -6.332 -15.944 3.515 1.00 0.00 H new ATOM 0 HA THR A 101 -7.106 -16.805 6.251 1.00 0.00 H new ATOM 0 HB THR A 101 -5.174 -17.656 4.699 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.903 -18.023 6.626 1.00 0.00 H new ATOM 0 HG21 THR A 101 -3.027 -16.462 5.046 1.00 0.00 H new ATOM 0 HG22 THR A 101 -4.208 -15.447 4.184 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.891 -15.171 5.914 1.00 0.00 H new ATOM 1501 N PRO A 102 -6.323 -14.770 7.619 1.00 0.00 N ATOM 1502 CA PRO A 102 -6.183 -13.501 8.358 1.00 0.00 C ATOM 1503 C PRO A 102 -4.721 -13.043 8.358 1.00 0.00 C ATOM 1504 O PRO A 102 -3.810 -13.839 8.464 1.00 0.00 O ATOM 1505 CB PRO A 102 -6.664 -13.847 9.771 1.00 0.00 C ATOM 1506 CG PRO A 102 -6.523 -15.379 9.917 1.00 0.00 C ATOM 1507 CD PRO A 102 -6.494 -15.958 8.490 1.00 0.00 C ATOM 0 HA PRO A 102 -6.751 -12.681 7.919 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.068 -13.329 10.522 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.699 -13.537 9.916 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.611 -15.634 10.457 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.356 -15.792 10.486 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.675 -16.666 8.364 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.415 -16.493 8.258 1.00 0.00 H new ATOM 1515 N THR A 103 -4.493 -11.762 8.226 1.00 0.00 N ATOM 1516 CA THR A 103 -3.093 -11.248 8.202 1.00 0.00 C ATOM 1517 C THR A 103 -3.012 -9.941 8.995 1.00 0.00 C ATOM 1518 O THR A 103 -3.871 -9.090 8.899 1.00 0.00 O ATOM 1519 CB THR A 103 -2.675 -10.996 6.734 1.00 0.00 C ATOM 1520 OG1 THR A 103 -2.273 -12.224 6.145 1.00 0.00 O ATOM 1521 CG2 THR A 103 -1.510 -9.989 6.649 1.00 0.00 C ATOM 0 H THR A 103 -5.217 -11.050 8.134 1.00 0.00 H new ATOM 0 HA THR A 103 -2.423 -11.980 8.654 1.00 0.00 H new ATOM 0 HB THR A 103 -3.530 -10.579 6.201 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.634 -12.971 6.667 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.239 -9.833 5.605 1.00 0.00 H new ATOM 0 HG22 THR A 103 -1.816 -9.040 7.090 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.650 -10.381 7.192 1.00 0.00 H new ATOM 1529 N LYS A 104 -1.957 -9.764 9.741 1.00 0.00 N ATOM 1530 CA LYS A 104 -1.781 -8.496 10.499 1.00 0.00 C ATOM 1531 C LYS A 104 -0.614 -7.747 9.864 1.00 0.00 C ATOM 1532 O LYS A 104 0.353 -8.352 9.447 1.00 0.00 O ATOM 1533 CB LYS A 104 -1.459 -8.794 11.966 1.00 0.00 C ATOM 1534 CG LYS A 104 -1.969 -7.648 12.842 1.00 0.00 C ATOM 1535 CD LYS A 104 -2.802 -8.214 13.995 1.00 0.00 C ATOM 1536 CE LYS A 104 -1.883 -8.932 14.984 1.00 0.00 C ATOM 1537 NZ LYS A 104 -2.452 -8.833 16.358 1.00 0.00 N ATOM 0 H LYS A 104 -1.207 -10.446 9.858 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.695 -7.903 10.465 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -1.924 -9.732 12.268 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -0.384 -8.915 12.096 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.129 -7.075 13.234 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.572 -6.962 12.247 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -3.339 -7.410 14.499 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.552 -8.906 13.611 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -1.773 -9.978 14.700 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.888 -8.488 14.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -1.826 -9.322 17.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -2.535 -7.832 16.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -3.393 -9.276 16.377 1.00 0.00 H new ATOM 1551 N VAL A 105 -0.690 -6.450 9.757 1.00 0.00 N ATOM 1552 CA VAL A 105 0.431 -5.707 9.116 1.00 0.00 C ATOM 1553 C VAL A 105 0.556 -4.304 9.707 1.00 0.00 C ATOM 1554 O VAL A 105 -0.431 -3.636 9.963 1.00 0.00 O ATOM 1555 CB VAL A 105 0.141 -5.566 7.616 1.00 0.00 C ATOM 1556 CG1 VAL A 105 -0.041 -6.953 6.992 1.00 0.00 C ATOM 1557 CG2 VAL A 105 -1.143 -4.748 7.416 1.00 0.00 C ATOM 0 H VAL A 105 -1.470 -5.878 10.081 1.00 0.00 H new ATOM 0 HA VAL A 105 1.356 -6.257 9.289 1.00 0.00 H new ATOM 0 HB VAL A 105 0.977 -5.059 7.135 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.247 -6.849 5.927 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.869 -7.536 7.130 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.875 -7.462 7.474 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.348 -4.648 6.350 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.977 -5.256 7.900 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.016 -3.759 7.855 1.00 0.00 H new ATOM 1567 N LYS A 106 1.758 -3.817 9.843 1.00 0.00 N ATOM 1568 CA LYS A 106 1.926 -2.421 10.324 1.00 0.00 C ATOM 1569 C LYS A 106 1.839 -1.574 9.065 1.00 0.00 C ATOM 1570 O LYS A 106 2.742 -1.543 8.260 1.00 0.00 O ATOM 1571 CB LYS A 106 3.273 -2.220 11.040 1.00 0.00 C ATOM 1572 CG LYS A 106 4.444 -2.639 10.144 1.00 0.00 C ATOM 1573 CD LYS A 106 5.176 -3.818 10.787 1.00 0.00 C ATOM 1574 CE LYS A 106 5.901 -3.341 12.046 1.00 0.00 C ATOM 1575 NZ LYS A 106 6.102 -4.491 12.971 1.00 0.00 N ATOM 0 H LYS A 106 2.622 -4.321 9.644 1.00 0.00 H new ATOM 0 HA LYS A 106 1.169 -2.151 11.061 1.00 0.00 H new ATOM 0 HB2 LYS A 106 3.385 -1.173 11.323 1.00 0.00 H new ATOM 0 HB3 LYS A 106 3.289 -2.803 11.961 1.00 0.00 H new ATOM 0 HG2 LYS A 106 4.079 -2.918 9.156 1.00 0.00 H new ATOM 0 HG3 LYS A 106 5.129 -1.802 10.006 1.00 0.00 H new ATOM 0 HD2 LYS A 106 4.467 -4.607 11.039 1.00 0.00 H new ATOM 0 HD3 LYS A 106 5.890 -4.245 10.083 1.00 0.00 H new ATOM 0 HE2 LYS A 106 6.863 -2.902 11.780 1.00 0.00 H new ATOM 0 HE3 LYS A 106 5.320 -2.561 12.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 7.039 -4.418 13.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 5.366 -4.478 13.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 6.041 -5.381 12.437 1.00 0.00 H new ATOM 1589 N VAL A 107 0.723 -0.953 8.844 1.00 0.00 N ATOM 1590 CA VAL A 107 0.537 -0.187 7.591 1.00 0.00 C ATOM 1591 C VAL A 107 1.092 1.229 7.731 1.00 0.00 C ATOM 1592 O VAL A 107 1.189 1.778 8.815 1.00 0.00 O ATOM 1593 CB VAL A 107 -0.969 -0.107 7.316 1.00 0.00 C ATOM 1594 CG1 VAL A 107 -1.562 -1.505 7.277 1.00 0.00 C ATOM 1595 CG2 VAL A 107 -1.620 0.676 8.443 1.00 0.00 C ATOM 0 H VAL A 107 -0.073 -0.943 9.481 1.00 0.00 H new ATOM 0 HA VAL A 107 1.066 -0.682 6.777 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.144 0.382 6.358 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.632 -1.441 7.081 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.082 -2.082 6.486 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.397 -1.997 8.236 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.693 0.744 8.266 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.440 0.168 9.390 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.194 1.679 8.483 1.00 0.00 H new ATOM 1605 N HIS A 108 1.411 1.821 6.626 1.00 0.00 N ATOM 1606 CA HIS A 108 1.926 3.215 6.628 1.00 0.00 C ATOM 1607 C HIS A 108 1.739 3.779 5.223 1.00 0.00 C ATOM 1608 O HIS A 108 2.415 3.383 4.307 1.00 0.00 O ATOM 1609 CB HIS A 108 3.407 3.223 7.009 1.00 0.00 C ATOM 1610 CG HIS A 108 3.719 4.511 7.716 1.00 0.00 C ATOM 1611 ND1 HIS A 108 4.704 4.604 8.686 1.00 0.00 N ATOM 1612 CD2 HIS A 108 3.177 5.766 7.607 1.00 0.00 C ATOM 1613 CE1 HIS A 108 4.726 5.878 9.119 1.00 0.00 C ATOM 1614 NE2 HIS A 108 3.814 6.629 8.495 1.00 0.00 N ATOM 0 H HIS A 108 1.337 1.394 5.703 1.00 0.00 H new ATOM 0 HA HIS A 108 1.387 3.823 7.355 1.00 0.00 H new ATOM 0 HB2 HIS A 108 3.635 2.374 7.653 1.00 0.00 H new ATOM 0 HB3 HIS A 108 4.026 3.122 6.118 1.00 0.00 H new ATOM 0 HD2 HIS A 108 2.378 6.043 6.935 1.00 0.00 H new ATOM 0 HE1 HIS A 108 5.399 6.248 9.878 1.00 0.00 H new ATOM 0 HE2 HIS A 108 3.625 7.621 8.638 1.00 0.00 H new ATOM 1622 N MET A 109 0.797 4.665 5.042 1.00 0.00 N ATOM 1623 CA MET A 109 0.529 5.219 3.671 1.00 0.00 C ATOM 1624 C MET A 109 0.879 6.717 3.642 1.00 0.00 C ATOM 1625 O MET A 109 0.752 7.398 4.640 1.00 0.00 O ATOM 1626 CB MET A 109 -0.971 5.065 3.319 1.00 0.00 C ATOM 1627 CG MET A 109 -1.662 3.941 4.136 1.00 0.00 C ATOM 1628 SD MET A 109 -3.094 4.633 5.001 1.00 0.00 S ATOM 1629 CE MET A 109 -4.319 4.351 3.697 1.00 0.00 C ATOM 0 H MET A 109 0.198 5.033 5.781 1.00 0.00 H new ATOM 0 HA MET A 109 1.138 4.672 2.951 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.483 6.010 3.503 1.00 0.00 H new ATOM 0 HB3 MET A 109 -1.071 4.850 2.255 1.00 0.00 H new ATOM 0 HG2 MET A 109 -1.976 3.134 3.474 1.00 0.00 H new ATOM 0 HG3 MET A 109 -0.961 3.512 4.852 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.320 4.370 4.128 1.00 0.00 H new ATOM 0 HE2 MET A 109 -4.234 5.133 2.942 1.00 0.00 H new ATOM 0 HE3 MET A 109 -4.141 3.380 3.235 1.00 0.00 H new ATOM 1639 N LYS A 110 1.305 7.256 2.512 1.00 0.00 N ATOM 1640 CA LYS A 110 1.624 8.723 2.489 1.00 0.00 C ATOM 1641 C LYS A 110 1.230 9.303 1.128 1.00 0.00 C ATOM 1642 O LYS A 110 0.904 8.582 0.217 1.00 0.00 O ATOM 1643 CB LYS A 110 3.126 8.926 2.709 1.00 0.00 C ATOM 1644 CG LYS A 110 3.373 10.215 3.493 1.00 0.00 C ATOM 1645 CD LYS A 110 4.879 10.473 3.588 1.00 0.00 C ATOM 1646 CE LYS A 110 5.316 11.373 2.429 1.00 0.00 C ATOM 1647 NZ LYS A 110 6.804 11.397 2.351 1.00 0.00 N ATOM 0 H LYS A 110 1.441 6.758 1.632 1.00 0.00 H new ATOM 0 HA LYS A 110 1.070 9.228 3.280 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.540 8.076 3.252 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.639 8.971 1.748 1.00 0.00 H new ATOM 0 HG2 LYS A 110 2.880 11.053 3.001 1.00 0.00 H new ATOM 0 HG3 LYS A 110 2.943 10.134 4.491 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.118 10.946 4.540 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.423 9.529 3.555 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.898 11.005 1.492 1.00 0.00 H new ATOM 0 HE3 LYS A 110 4.933 12.383 2.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.108 12.197 1.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.200 11.502 3.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.144 10.508 1.931 1.00 0.00 H new ATOM 1661 N LYS A 111 1.257 10.599 0.977 1.00 0.00 N ATOM 1662 CA LYS A 111 0.886 11.199 -0.335 1.00 0.00 C ATOM 1663 C LYS A 111 2.080 11.093 -1.279 1.00 0.00 C ATOM 1664 O LYS A 111 3.039 11.832 -1.173 1.00 0.00 O ATOM 1665 CB LYS A 111 0.497 12.669 -0.134 1.00 0.00 C ATOM 1666 CG LYS A 111 0.259 13.353 -1.486 1.00 0.00 C ATOM 1667 CD LYS A 111 0.372 14.869 -1.315 1.00 0.00 C ATOM 1668 CE LYS A 111 -0.628 15.562 -2.241 1.00 0.00 C ATOM 1669 NZ LYS A 111 -1.174 16.772 -1.563 1.00 0.00 N ATOM 0 H LYS A 111 1.519 11.266 1.703 1.00 0.00 H new ATOM 0 HA LYS A 111 0.036 10.668 -0.764 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -0.404 12.732 0.476 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.286 13.189 0.409 1.00 0.00 H new ATOM 0 HG2 LYS A 111 0.988 13.003 -2.217 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -0.727 13.092 -1.870 1.00 0.00 H new ATOM 0 HD2 LYS A 111 0.176 15.145 -0.279 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.385 15.197 -1.546 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -0.141 15.843 -3.175 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -1.438 14.878 -2.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -1.816 17.273 -2.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -1.696 16.486 -0.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -0.392 17.402 -1.295 1.00 0.00 H new ATOM 1683 N ALA A 112 2.028 10.179 -2.205 1.00 0.00 N ATOM 1684 CA ALA A 112 3.155 10.016 -3.163 1.00 0.00 C ATOM 1685 C ALA A 112 3.485 11.366 -3.804 1.00 0.00 C ATOM 1686 O ALA A 112 2.654 12.251 -3.869 1.00 0.00 O ATOM 1687 CB ALA A 112 2.749 9.013 -4.240 1.00 0.00 C ATOM 0 H ALA A 112 1.249 9.534 -2.340 1.00 0.00 H new ATOM 0 HA ALA A 112 4.037 9.650 -2.638 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.569 8.887 -4.947 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.519 8.054 -3.776 1.00 0.00 H new ATOM 0 HB3 ALA A 112 1.869 9.381 -4.767 1.00 0.00 H new ATOM 1693 N LEU A 113 4.692 11.539 -4.268 1.00 0.00 N ATOM 1694 CA LEU A 113 5.067 12.842 -4.892 1.00 0.00 C ATOM 1695 C LEU A 113 5.058 12.717 -6.419 1.00 0.00 C ATOM 1696 O LEU A 113 5.568 13.569 -7.119 1.00 0.00 O ATOM 1697 CB LEU A 113 6.464 13.255 -4.422 1.00 0.00 C ATOM 1698 CG LEU A 113 7.409 12.053 -4.484 1.00 0.00 C ATOM 1699 CD1 LEU A 113 8.773 12.500 -5.014 1.00 0.00 C ATOM 1700 CD2 LEU A 113 7.578 11.466 -3.080 1.00 0.00 C ATOM 0 H LEU A 113 5.433 10.838 -4.243 1.00 0.00 H new ATOM 0 HA LEU A 113 4.342 13.599 -4.592 1.00 0.00 H new ATOM 0 HB2 LEU A 113 6.845 14.061 -5.049 1.00 0.00 H new ATOM 0 HB3 LEU A 113 6.416 13.639 -3.403 1.00 0.00 H new ATOM 0 HG LEU A 113 6.991 11.297 -5.149 1.00 0.00 H new ATOM 0 HD11 LEU A 113 9.445 11.643 -5.058 1.00 0.00 H new ATOM 0 HD12 LEU A 113 8.655 12.920 -6.013 1.00 0.00 H new ATOM 0 HD13 LEU A 113 9.192 13.256 -4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 113 8.251 10.610 -3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 113 7.996 12.223 -2.417 1.00 0.00 H new ATOM 0 HD23 LEU A 113 6.608 11.147 -2.700 1.00 0.00 H new ATOM 1742 N SER A 117 -0.690 11.768 -5.423 1.00 0.00 N ATOM 1743 CA SER A 117 -1.072 10.329 -5.400 1.00 0.00 C ATOM 1744 C SER A 117 -1.256 9.863 -3.952 1.00 0.00 C ATOM 1745 O SER A 117 -1.291 10.657 -3.034 1.00 0.00 O ATOM 1746 CB SER A 117 0.022 9.499 -6.073 1.00 0.00 C ATOM 1747 OG SER A 117 -0.574 8.601 -6.999 1.00 0.00 O ATOM 0 HA SER A 117 -2.010 10.197 -5.939 1.00 0.00 H new ATOM 0 HB2 SER A 117 0.728 10.153 -6.585 1.00 0.00 H new ATOM 0 HB3 SER A 117 0.587 8.945 -5.324 1.00 0.00 H new ATOM 0 HG SER A 117 -1.445 8.310 -6.658 1.00 0.00 H new ATOM 1753 N TYR A 118 -1.388 8.580 -3.745 1.00 0.00 N ATOM 1754 CA TYR A 118 -1.587 8.053 -2.360 1.00 0.00 C ATOM 1755 C TYR A 118 -1.064 6.616 -2.292 1.00 0.00 C ATOM 1756 O TYR A 118 -1.668 5.715 -2.840 1.00 0.00 O ATOM 1757 CB TYR A 118 -3.090 8.035 -2.039 1.00 0.00 C ATOM 1758 CG TYR A 118 -3.740 9.296 -2.518 1.00 0.00 C ATOM 1759 CD1 TYR A 118 -3.635 10.472 -1.773 1.00 0.00 C ATOM 1760 CD2 TYR A 118 -4.460 9.278 -3.711 1.00 0.00 C ATOM 1761 CE1 TYR A 118 -4.255 11.637 -2.228 1.00 0.00 C ATOM 1762 CE2 TYR A 118 -5.080 10.434 -4.166 1.00 0.00 C ATOM 1763 CZ TYR A 118 -4.980 11.620 -3.428 1.00 0.00 C ATOM 1764 OH TYR A 118 -5.594 12.769 -3.880 1.00 0.00 O ATOM 0 H TYR A 118 -1.367 7.870 -4.477 1.00 0.00 H new ATOM 0 HA TYR A 118 -1.055 8.685 -1.649 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.560 7.173 -2.513 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -3.238 7.927 -0.964 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -3.077 10.480 -0.849 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -4.536 8.364 -4.282 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -4.176 12.550 -1.657 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.640 10.419 -5.090 1.00 0.00 H new ATOM 0 HH TYR A 118 -6.053 12.584 -4.726 1.00 0.00 H new ATOM 1774 N TRP A 119 0.043 6.377 -1.632 1.00 0.00 N ATOM 1775 CA TRP A 119 0.543 4.981 -1.564 1.00 0.00 C ATOM 1776 C TRP A 119 0.365 4.387 -0.175 1.00 0.00 C ATOM 1777 O TRP A 119 0.506 5.041 0.829 1.00 0.00 O ATOM 1778 CB TRP A 119 1.992 4.869 -2.059 1.00 0.00 C ATOM 1779 CG TRP A 119 2.921 5.837 -1.406 1.00 0.00 C ATOM 1780 CD1 TRP A 119 3.518 6.877 -2.015 1.00 0.00 C ATOM 1781 CD2 TRP A 119 3.420 5.819 -0.061 1.00 0.00 C ATOM 1782 NE1 TRP A 119 4.353 7.508 -1.112 1.00 0.00 N ATOM 1783 CE2 TRP A 119 4.324 6.885 0.116 1.00 0.00 C ATOM 1784 CE3 TRP A 119 3.159 4.982 1.005 1.00 0.00 C ATOM 1785 CZ2 TRP A 119 4.963 7.100 1.333 1.00 0.00 C ATOM 1786 CZ3 TRP A 119 3.794 5.185 2.240 1.00 0.00 C ATOM 1787 CH2 TRP A 119 4.697 6.244 2.402 1.00 0.00 C ATOM 0 H TRP A 119 0.607 7.076 -1.149 1.00 0.00 H new ATOM 0 HA TRP A 119 -0.068 4.386 -2.243 1.00 0.00 H new ATOM 0 HB2 TRP A 119 2.351 3.856 -1.880 1.00 0.00 H new ATOM 0 HB3 TRP A 119 2.013 5.029 -3.137 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.369 7.172 -3.043 1.00 0.00 H new ATOM 0 HE1 TRP A 119 4.918 8.329 -1.327 1.00 0.00 H new ATOM 0 HE3 TRP A 119 2.462 4.166 0.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 5.657 7.920 1.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.586 4.523 3.068 1.00 0.00 H new ATOM 0 HH2 TRP A 119 5.186 6.397 3.353 1.00 0.00 H new ATOM 1798 N VAL A 120 0.024 3.126 -0.139 1.00 0.00 N ATOM 1799 CA VAL A 120 -0.200 2.417 1.149 1.00 0.00 C ATOM 1800 C VAL A 120 0.826 1.287 1.273 1.00 0.00 C ATOM 1801 O VAL A 120 0.855 0.376 0.470 1.00 0.00 O ATOM 1802 CB VAL A 120 -1.615 1.817 1.158 1.00 0.00 C ATOM 1803 CG1 VAL A 120 -1.824 1.001 2.436 1.00 0.00 C ATOM 1804 CG2 VAL A 120 -2.653 2.939 1.094 1.00 0.00 C ATOM 0 H VAL A 120 -0.111 2.548 -0.968 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.093 3.113 1.981 1.00 0.00 H new ATOM 0 HB VAL A 120 -1.731 1.167 0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -2.829 0.578 2.437 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -1.091 0.195 2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -1.702 1.648 3.305 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -3.655 2.509 1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -2.534 3.595 1.957 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.511 3.514 0.179 1.00 0.00 H new ATOM 1814 N PHE A 121 1.660 1.331 2.272 1.00 0.00 N ATOM 1815 CA PHE A 121 2.669 0.248 2.433 1.00 0.00 C ATOM 1816 C PHE A 121 2.209 -0.711 3.516 1.00 0.00 C ATOM 1817 O PHE A 121 2.006 -0.326 4.648 1.00 0.00 O ATOM 1818 CB PHE A 121 4.044 0.827 2.832 1.00 0.00 C ATOM 1819 CG PHE A 121 4.523 1.829 1.790 1.00 0.00 C ATOM 1820 CD1 PHE A 121 3.985 1.830 0.491 1.00 0.00 C ATOM 1821 CD2 PHE A 121 5.517 2.754 2.125 1.00 0.00 C ATOM 1822 CE1 PHE A 121 4.435 2.755 -0.458 1.00 0.00 C ATOM 1823 CE2 PHE A 121 5.965 3.681 1.173 1.00 0.00 C ATOM 1824 CZ PHE A 121 5.423 3.682 -0.117 1.00 0.00 C ATOM 0 H PHE A 121 1.688 2.065 2.980 1.00 0.00 H new ATOM 0 HA PHE A 121 2.769 -0.271 1.480 1.00 0.00 H new ATOM 0 HB2 PHE A 121 3.972 1.312 3.806 1.00 0.00 H new ATOM 0 HB3 PHE A 121 4.770 0.020 2.930 1.00 0.00 H new ATOM 0 HD1 PHE A 121 3.221 1.114 0.224 1.00 0.00 H new ATOM 0 HD2 PHE A 121 5.940 2.754 3.119 1.00 0.00 H new ATOM 0 HE1 PHE A 121 4.018 2.752 -1.454 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.730 4.396 1.436 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.768 4.398 -0.848 1.00 0.00 H new ATOM 1834 N VAL A 122 2.061 -1.959 3.196 1.00 0.00 N ATOM 1835 CA VAL A 122 1.636 -2.919 4.236 1.00 0.00 C ATOM 1836 C VAL A 122 2.805 -3.840 4.579 1.00 0.00 C ATOM 1837 O VAL A 122 3.253 -4.626 3.769 1.00 0.00 O ATOM 1838 CB VAL A 122 0.427 -3.723 3.723 1.00 0.00 C ATOM 1839 CG1 VAL A 122 0.433 -5.169 4.250 1.00 0.00 C ATOM 1840 CG2 VAL A 122 -0.837 -3.032 4.206 1.00 0.00 C ATOM 0 H VAL A 122 2.215 -2.352 2.267 1.00 0.00 H new ATOM 0 HA VAL A 122 1.338 -2.389 5.141 1.00 0.00 H new ATOM 0 HB VAL A 122 0.474 -3.764 2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.437 -5.701 3.864 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.342 -5.673 3.920 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.398 -5.159 5.339 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.710 -3.583 3.855 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.841 -3.001 5.296 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -0.868 -2.015 3.814 1.00 0.00 H new ATOM 1850 N LYS A 123 3.271 -3.774 5.786 1.00 0.00 N ATOM 1851 CA LYS A 123 4.385 -4.679 6.182 1.00 0.00 C ATOM 1852 C LYS A 123 3.804 -5.829 7.000 1.00 0.00 C ATOM 1853 O LYS A 123 2.993 -5.623 7.879 1.00 0.00 O ATOM 1854 CB LYS A 123 5.417 -3.924 7.014 1.00 0.00 C ATOM 1855 CG LYS A 123 6.795 -4.532 6.766 1.00 0.00 C ATOM 1856 CD LYS A 123 7.821 -3.415 6.615 1.00 0.00 C ATOM 1857 CE LYS A 123 9.227 -4.009 6.548 1.00 0.00 C ATOM 1858 NZ LYS A 123 9.446 -4.897 7.724 1.00 0.00 N ATOM 0 H LYS A 123 2.937 -3.141 6.513 1.00 0.00 H new ATOM 0 HA LYS A 123 4.880 -5.061 5.289 1.00 0.00 H new ATOM 0 HB2 LYS A 123 5.418 -2.868 6.745 1.00 0.00 H new ATOM 0 HB3 LYS A 123 5.164 -3.984 8.073 1.00 0.00 H new ATOM 0 HG2 LYS A 123 7.071 -5.185 7.594 1.00 0.00 H new ATOM 0 HG3 LYS A 123 6.777 -5.148 5.867 1.00 0.00 H new ATOM 0 HD2 LYS A 123 7.616 -2.840 5.712 1.00 0.00 H new ATOM 0 HD3 LYS A 123 7.747 -2.725 7.456 1.00 0.00 H new ATOM 0 HE2 LYS A 123 9.351 -4.574 5.624 1.00 0.00 H new ATOM 0 HE3 LYS A 123 9.970 -3.212 6.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.461 -4.935 7.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 8.926 -4.523 8.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 9.104 -5.854 7.505 1.00 0.00 H new ATOM 1872 N ARG A 124 4.193 -7.041 6.716 1.00 0.00 N ATOM 1873 CA ARG A 124 3.632 -8.184 7.489 1.00 0.00 C ATOM 1874 C ARG A 124 4.240 -8.204 8.891 1.00 0.00 C ATOM 1875 O ARG A 124 5.433 -8.354 9.064 1.00 0.00 O ATOM 1876 CB ARG A 124 3.939 -9.498 6.766 1.00 0.00 C ATOM 1877 CG ARG A 124 3.064 -10.612 7.339 1.00 0.00 C ATOM 1878 CD ARG A 124 2.578 -11.512 6.202 1.00 0.00 C ATOM 1879 NE ARG A 124 3.666 -12.451 5.811 1.00 0.00 N ATOM 1880 CZ ARG A 124 3.631 -13.690 6.212 1.00 0.00 C ATOM 1881 NH1 ARG A 124 3.321 -13.966 7.450 1.00 0.00 N ATOM 1882 NH2 ARG A 124 3.905 -14.653 5.375 1.00 0.00 N ATOM 0 H ARG A 124 4.867 -7.288 5.991 1.00 0.00 H new ATOM 0 HA ARG A 124 2.551 -8.069 7.571 1.00 0.00 H new ATOM 0 HB2 ARG A 124 3.754 -9.389 5.697 1.00 0.00 H new ATOM 0 HB3 ARG A 124 4.993 -9.752 6.883 1.00 0.00 H new ATOM 0 HG2 ARG A 124 3.630 -11.197 8.064 1.00 0.00 H new ATOM 0 HG3 ARG A 124 2.213 -10.185 7.869 1.00 0.00 H new ATOM 0 HD2 ARG A 124 1.697 -12.071 6.518 1.00 0.00 H new ATOM 0 HD3 ARG A 124 2.281 -10.906 5.346 1.00 0.00 H new ATOM 0 HE ARG A 124 4.438 -12.124 5.230 1.00 0.00 H new ATOM 0 HH11 ARG A 124 3.106 -13.212 8.102 1.00 0.00 H new ATOM 0 HH12 ARG A 124 3.293 -14.936 7.765 1.00 0.00 H new ATOM 0 HH21 ARG A 124 4.146 -14.435 4.408 1.00 0.00 H new ATOM 0 HH22 ARG A 124 3.878 -15.624 5.688 1.00 0.00 H new ATOM 1896 N VAL A 125 3.419 -8.050 9.893 1.00 0.00 N ATOM 1897 CA VAL A 125 3.932 -8.050 11.294 1.00 0.00 C ATOM 1898 C VAL A 125 4.156 -9.494 11.748 1.00 0.00 C ATOM 1899 O VAL A 125 3.943 -10.387 10.943 1.00 0.00 O ATOM 1900 CB VAL A 125 2.921 -7.375 12.241 1.00 0.00 C ATOM 1901 CG1 VAL A 125 3.677 -6.685 13.366 1.00 0.00 C ATOM 1902 CG2 VAL A 125 2.102 -6.317 11.502 1.00 0.00 C ATOM 1903 OXT VAL A 125 4.539 -9.682 12.891 1.00 0.00 O ATOM 0 H VAL A 125 2.411 -7.924 9.802 1.00 0.00 H new ATOM 0 HA VAL A 125 4.869 -7.495 11.325 1.00 0.00 H new ATOM 0 HB VAL A 125 2.252 -8.142 12.630 1.00 0.00 H new ATOM 0 HG11 VAL A 125 2.968 -6.205 14.040 1.00 0.00 H new ATOM 0 HG12 VAL A 125 4.260 -7.422 13.918 1.00 0.00 H new ATOM 0 HG13 VAL A 125 4.346 -5.933 12.947 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.396 -5.856 12.192 1.00 0.00 H new ATOM 0 HG22 VAL A 125 2.770 -5.554 11.102 1.00 0.00 H new ATOM 0 HG23 VAL A 125 1.555 -6.786 10.684 1.00 0.00 H new