USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=23 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 100 MET CE :methyl -146:sc= -3.26! (180deg=-6.66!) USER MOD Set 1.2: A 103 THR OG1 : rot -130:sc= 0 USER MOD Set 2.1: A 89 ASN : amide:sc= -2.73! K(o=-3.2!,f=-1.1) USER MOD Set 2.2: A 108 HIS : no HE2:sc= -0.496 K(o=-3.2,f=-1.1) USER MOD Set 2.3: A 110 LYS NZ :NH3+ 151:sc= 0 (180deg=0) USER MOD Set 3.1: A 38 ASN : amide:sc= -0.971 X(o=-3.3,f=-2.9) USER MOD Set 3.2: A 61 ASN : amide:sc= -2.31 K(o=-3.3,f=-0.21) USER MOD Set 4.1: A 50 THR OG1 : rot -85:sc= 0.111 USER MOD Set 4.2: A 98 TYR OH : rot 0:sc= -1.01 USER MOD Set 5.1: A 32 GLN : amide:sc= -6.77! C(o=-15!,f=-14!) USER MOD Set 5.2: A 41 GLN : amide:sc= -8.11! C(o=-15!,f=-14!) USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 14 THR OG1 : rot 100:sc= 0.385 USER MOD Single : A 42 TYR OH : rot -30:sc= -3.73! USER MOD Single : A 43 ASN : amide:sc= -8.62! C(o=-8.6!,f=-15!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc=-0.00815 X(o=-0.0082,f=-0.15) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -1.23 USER MOD Single : A 70 THR OG1 : rot 120:sc= 0.0749 USER MOD Single : A 72 SER OG : rot 107:sc= -0.637 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 61:sc= 1.17 USER MOD Single : A 87 ASN : amide:sc= -2.23 K(o=-2.2,f=-0.44!) USER MOD Single : A 90 THR OG1 : rot 150:sc= 0 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 157:sc= 0.857 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0131 USER MOD Single : A 99 GLN : amide:sc= -0.0936 K(o=-0.094,f=-2!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0776 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ -151:sc= -0.244 (180deg=-1.3!) USER MOD Single : A 109 MET CE :methyl -132:sc= -2.75 (180deg=-6.9!) USER MOD Single : A 111 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0272) USER MOD Single : A 117 SER OG : rot -106:sc= 1.52 USER MOD Single : A 118 TYR OH : rot -150:sc= -3.11! USER MOD Single : A 123 LYS NZ :NH3+ -125:sc= -0.505 (180deg=-3.21!) USER MOD ----------------------------------------------------------------- ATOM 131 N ASP A 10 13.392 3.214 1.208 1.00 0.00 N ATOM 132 CA ASP A 10 13.124 4.381 0.316 1.00 0.00 C ATOM 133 C ASP A 10 12.155 3.922 -0.771 1.00 0.00 C ATOM 134 O ASP A 10 12.551 3.578 -1.867 1.00 0.00 O ATOM 135 CB ASP A 10 14.433 4.855 -0.320 1.00 0.00 C ATOM 136 CG ASP A 10 15.472 5.100 0.776 1.00 0.00 C ATOM 137 OD1 ASP A 10 15.518 6.209 1.284 1.00 0.00 O ATOM 138 OD2 ASP A 10 16.203 4.175 1.089 1.00 0.00 O ATOM 0 HA ASP A 10 12.696 5.208 0.883 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.800 4.107 -1.023 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.264 5.770 -0.887 1.00 0.00 H new ATOM 143 N ILE A 11 10.889 3.874 -0.463 1.00 0.00 N ATOM 144 CA ILE A 11 9.905 3.393 -1.459 1.00 0.00 C ATOM 145 C ILE A 11 9.501 4.510 -2.395 1.00 0.00 C ATOM 146 O ILE A 11 9.610 4.374 -3.580 1.00 0.00 O ATOM 147 CB ILE A 11 8.658 2.875 -0.765 1.00 0.00 C ATOM 148 CG1 ILE A 11 9.007 2.185 0.548 1.00 0.00 C ATOM 149 CG2 ILE A 11 7.955 1.873 -1.668 1.00 0.00 C ATOM 150 CD1 ILE A 11 9.967 1.036 0.259 1.00 0.00 C ATOM 0 H ILE A 11 10.497 4.149 0.438 1.00 0.00 H new ATOM 0 HA ILE A 11 10.376 2.590 -2.027 1.00 0.00 H new ATOM 0 HB ILE A 11 8.009 3.725 -0.556 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.464 2.895 1.237 1.00 0.00 H new ATOM 0 HG13 ILE A 11 8.104 1.810 1.029 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.060 1.501 -1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.675 2.359 -2.603 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.626 1.040 -1.879 1.00 0.00 H new ATOM 0 HD11 ILE A 11 10.225 0.534 1.191 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.491 0.325 -0.416 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.873 1.427 -0.205 1.00 0.00 H new ATOM 162 N GLU A 12 9.003 5.598 -1.878 1.00 0.00 N ATOM 163 CA GLU A 12 8.544 6.713 -2.764 1.00 0.00 C ATOM 164 C GLU A 12 9.505 6.928 -3.946 1.00 0.00 C ATOM 165 O GLU A 12 9.099 7.338 -5.016 1.00 0.00 O ATOM 166 CB GLU A 12 8.437 8.005 -1.950 1.00 0.00 C ATOM 167 CG GLU A 12 9.747 8.242 -1.196 1.00 0.00 C ATOM 168 CD GLU A 12 10.103 9.727 -1.246 1.00 0.00 C ATOM 169 OE1 GLU A 12 10.027 10.298 -2.323 1.00 0.00 O ATOM 170 OE2 GLU A 12 10.445 10.271 -0.210 1.00 0.00 O ATOM 0 H GLU A 12 8.892 5.767 -0.878 1.00 0.00 H new ATOM 0 HA GLU A 12 7.568 6.443 -3.167 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.227 8.847 -2.610 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.607 7.937 -1.247 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.647 7.916 -0.161 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.547 7.650 -1.641 1.00 0.00 H new ATOM 177 N ASN A 13 10.764 6.630 -3.775 1.00 0.00 N ATOM 178 CA ASN A 13 11.724 6.793 -4.905 1.00 0.00 C ATOM 179 C ASN A 13 11.755 5.486 -5.700 1.00 0.00 C ATOM 180 O ASN A 13 11.780 5.480 -6.916 1.00 0.00 O ATOM 181 CB ASN A 13 13.120 7.096 -4.356 1.00 0.00 C ATOM 182 CG ASN A 13 13.230 8.589 -4.040 1.00 0.00 C ATOM 183 OD1 ASN A 13 12.531 9.094 -3.185 1.00 0.00 O ATOM 184 ND2 ASN A 13 14.086 9.322 -4.700 1.00 0.00 N ATOM 0 H ASN A 13 11.169 6.282 -2.906 1.00 0.00 H new ATOM 0 HA ASN A 13 11.413 7.617 -5.547 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.304 6.508 -3.457 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.879 6.811 -5.084 1.00 0.00 H new ATOM 0 HD21 ASN A 13 14.167 10.318 -4.497 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.673 8.898 -5.418 1.00 0.00 H new ATOM 191 N THR A 14 11.740 4.380 -5.009 1.00 0.00 N ATOM 192 CA THR A 14 11.753 3.050 -5.684 1.00 0.00 C ATOM 193 C THR A 14 10.414 2.819 -6.406 1.00 0.00 C ATOM 194 O THR A 14 10.262 1.879 -7.161 1.00 0.00 O ATOM 195 CB THR A 14 11.958 1.968 -4.605 1.00 0.00 C ATOM 196 OG1 THR A 14 13.320 1.960 -4.201 1.00 0.00 O ATOM 197 CG2 THR A 14 11.582 0.583 -5.142 1.00 0.00 C ATOM 0 H THR A 14 11.719 4.340 -3.990 1.00 0.00 H new ATOM 0 HA THR A 14 12.556 3.007 -6.420 1.00 0.00 H new ATOM 0 HB THR A 14 11.315 2.198 -3.756 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.415 2.454 -3.360 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.735 -0.163 -4.363 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.535 0.582 -5.445 1.00 0.00 H new ATOM 0 HG23 THR A 14 12.208 0.344 -6.001 1.00 0.00 H new ATOM 205 N LEU A 15 9.443 3.654 -6.170 1.00 0.00 N ATOM 206 CA LEU A 15 8.123 3.474 -6.825 1.00 0.00 C ATOM 207 C LEU A 15 8.045 4.379 -8.054 1.00 0.00 C ATOM 208 O LEU A 15 7.307 4.123 -8.984 1.00 0.00 O ATOM 209 CB LEU A 15 7.019 3.835 -5.824 1.00 0.00 C ATOM 210 CG LEU A 15 7.209 3.027 -4.538 1.00 0.00 C ATOM 211 CD1 LEU A 15 6.461 3.699 -3.383 1.00 0.00 C ATOM 212 CD2 LEU A 15 6.671 1.608 -4.736 1.00 0.00 C ATOM 0 H LEU A 15 9.509 4.459 -5.547 1.00 0.00 H new ATOM 0 HA LEU A 15 7.994 2.439 -7.141 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.049 4.902 -5.603 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.040 3.626 -6.256 1.00 0.00 H new ATOM 0 HG LEU A 15 8.272 2.983 -4.301 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.601 3.118 -2.472 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.850 4.706 -3.235 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.398 3.752 -3.620 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.808 1.036 -3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.610 1.652 -4.981 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.212 1.124 -5.550 1.00 0.00 H new ATOM 224 N ALA A 16 8.808 5.439 -8.062 1.00 0.00 N ATOM 225 CA ALA A 16 8.788 6.367 -9.226 1.00 0.00 C ATOM 226 C ALA A 16 9.877 5.963 -10.225 1.00 0.00 C ATOM 227 O ALA A 16 9.870 6.388 -11.364 1.00 0.00 O ATOM 228 CB ALA A 16 9.049 7.794 -8.739 1.00 0.00 C ATOM 0 H ALA A 16 9.445 5.702 -7.310 1.00 0.00 H new ATOM 0 HA ALA A 16 7.814 6.317 -9.713 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.035 8.477 -9.589 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.275 8.083 -8.028 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.023 7.840 -8.253 1.00 0.00 H new ATOM 340 N ASP A 24 10.648 -6.051 -5.646 1.00 0.00 N ATOM 341 CA ASP A 24 9.544 -6.995 -5.315 1.00 0.00 C ATOM 342 C ASP A 24 9.904 -7.798 -4.058 1.00 0.00 C ATOM 343 O ASP A 24 9.115 -8.582 -3.570 1.00 0.00 O ATOM 344 CB ASP A 24 9.326 -7.955 -6.487 1.00 0.00 C ATOM 345 CG ASP A 24 8.492 -7.261 -7.567 1.00 0.00 C ATOM 346 OD1 ASP A 24 8.607 -6.054 -7.691 1.00 0.00 O ATOM 347 OD2 ASP A 24 7.755 -7.951 -8.252 1.00 0.00 O ATOM 0 HA ASP A 24 8.631 -6.429 -5.130 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.286 -8.267 -6.898 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.818 -8.856 -6.143 1.00 0.00 H new ATOM 352 N GLY A 25 11.084 -7.609 -3.522 1.00 0.00 N ATOM 353 CA GLY A 25 11.476 -8.362 -2.297 1.00 0.00 C ATOM 354 C GLY A 25 11.224 -7.486 -1.070 1.00 0.00 C ATOM 355 O GLY A 25 11.901 -7.591 -0.067 1.00 0.00 O ATOM 0 H GLY A 25 11.790 -6.966 -3.881 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.902 -9.286 -2.224 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.528 -8.643 -2.349 1.00 0.00 H new ATOM 359 N LEU A 26 10.250 -6.624 -1.147 1.00 0.00 N ATOM 360 CA LEU A 26 9.935 -5.739 -0.006 1.00 0.00 C ATOM 361 C LEU A 26 9.111 -6.512 1.015 1.00 0.00 C ATOM 362 O LEU A 26 8.094 -7.096 0.701 1.00 0.00 O ATOM 363 CB LEU A 26 9.114 -4.539 -0.493 1.00 0.00 C ATOM 364 CG LEU A 26 10.017 -3.535 -1.213 1.00 0.00 C ATOM 365 CD1 LEU A 26 9.155 -2.611 -2.077 1.00 0.00 C ATOM 366 CD2 LEU A 26 10.774 -2.697 -0.180 1.00 0.00 C ATOM 0 H LEU A 26 9.654 -6.498 -1.965 1.00 0.00 H new ATOM 0 HA LEU A 26 10.864 -5.391 0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.326 -4.878 -1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.625 -4.057 0.353 1.00 0.00 H new ATOM 0 HG LEU A 26 10.729 -4.070 -1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.794 -1.894 -2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.609 -3.204 -2.811 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.447 -2.077 -1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.417 -1.982 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.061 -2.160 0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.383 -3.351 0.443 1.00 0.00 H new ATOM 378 N ALA A 27 9.531 -6.491 2.240 1.00 0.00 N ATOM 379 CA ALA A 27 8.763 -7.196 3.312 1.00 0.00 C ATOM 380 C ALA A 27 7.341 -6.617 3.380 1.00 0.00 C ATOM 381 O ALA A 27 6.446 -7.183 3.997 1.00 0.00 O ATOM 382 CB ALA A 27 9.464 -7.000 4.659 1.00 0.00 C ATOM 0 H ALA A 27 10.377 -6.016 2.555 1.00 0.00 H new ATOM 0 HA ALA A 27 8.713 -8.261 3.086 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.903 -7.514 5.439 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.473 -7.410 4.607 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.516 -5.936 4.891 1.00 0.00 H new ATOM 388 N PHE A 28 7.120 -5.490 2.751 1.00 0.00 N ATOM 389 CA PHE A 28 5.771 -4.886 2.760 1.00 0.00 C ATOM 390 C PHE A 28 5.368 -4.564 1.331 1.00 0.00 C ATOM 391 O PHE A 28 6.195 -4.275 0.488 1.00 0.00 O ATOM 392 CB PHE A 28 5.785 -3.590 3.561 1.00 0.00 C ATOM 393 CG PHE A 28 6.953 -2.752 3.127 1.00 0.00 C ATOM 394 CD1 PHE A 28 8.218 -2.988 3.669 1.00 0.00 C ATOM 395 CD2 PHE A 28 6.772 -1.741 2.182 1.00 0.00 C ATOM 396 CE1 PHE A 28 9.306 -2.210 3.267 1.00 0.00 C ATOM 397 CE2 PHE A 28 7.857 -0.962 1.780 1.00 0.00 C ATOM 398 CZ PHE A 28 9.126 -1.197 2.322 1.00 0.00 C ATOM 0 H PHE A 28 7.825 -4.967 2.232 1.00 0.00 H new ATOM 0 HA PHE A 28 5.068 -5.586 3.211 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.854 -3.044 3.408 1.00 0.00 H new ATOM 0 HB3 PHE A 28 5.855 -3.808 4.627 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.355 -3.772 4.399 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.793 -1.562 1.762 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.285 -2.391 3.686 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.718 -0.178 1.051 1.00 0.00 H new ATOM 0 HZ PHE A 28 9.966 -0.595 2.009 1.00 0.00 H new ATOM 408 N GLY A 29 4.104 -4.591 1.058 1.00 0.00 N ATOM 409 CA GLY A 29 3.640 -4.268 -0.308 1.00 0.00 C ATOM 410 C GLY A 29 3.697 -2.754 -0.494 1.00 0.00 C ATOM 411 O GLY A 29 3.560 -2.016 0.453 1.00 0.00 O ATOM 0 H GLY A 29 3.368 -4.824 1.725 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.267 -4.764 -1.048 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.623 -4.630 -0.458 1.00 0.00 H new ATOM 415 N ALA A 30 3.877 -2.275 -1.695 1.00 0.00 N ATOM 416 CA ALA A 30 3.908 -0.794 -1.894 1.00 0.00 C ATOM 417 C ALA A 30 2.841 -0.447 -2.923 1.00 0.00 C ATOM 418 O ALA A 30 3.079 -0.468 -4.114 1.00 0.00 O ATOM 419 CB ALA A 30 5.290 -0.338 -2.380 1.00 0.00 C ATOM 0 H ALA A 30 4.003 -2.835 -2.538 1.00 0.00 H new ATOM 0 HA ALA A 30 3.712 -0.283 -0.951 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.289 0.743 -2.518 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.043 -0.609 -1.640 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.521 -0.824 -3.328 1.00 0.00 H new ATOM 425 N ILE A 31 1.649 -0.169 -2.471 1.00 0.00 N ATOM 426 CA ILE A 31 0.548 0.133 -3.425 1.00 0.00 C ATOM 427 C ILE A 31 0.413 1.641 -3.637 1.00 0.00 C ATOM 428 O ILE A 31 0.546 2.426 -2.723 1.00 0.00 O ATOM 429 CB ILE A 31 -0.781 -0.462 -2.897 1.00 0.00 C ATOM 430 CG1 ILE A 31 -1.437 0.446 -1.859 1.00 0.00 C ATOM 431 CG2 ILE A 31 -0.514 -1.798 -2.221 1.00 0.00 C ATOM 432 CD1 ILE A 31 -2.345 1.462 -2.553 1.00 0.00 C ATOM 0 H ILE A 31 1.391 -0.138 -1.485 1.00 0.00 H new ATOM 0 HA ILE A 31 0.783 -0.322 -4.387 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.443 -0.572 -3.756 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.017 -0.152 -1.156 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.672 0.965 -1.282 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.452 -2.213 -1.851 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.071 -2.487 -2.940 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.172 -1.653 -1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.809 2.106 -1.806 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.754 2.069 -3.238 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.120 0.936 -3.110 1.00 0.00 H new ATOM 444 N GLN A 32 0.119 2.041 -4.834 1.00 0.00 N ATOM 445 CA GLN A 32 -0.069 3.488 -5.112 1.00 0.00 C ATOM 446 C GLN A 32 -1.531 3.675 -5.485 1.00 0.00 C ATOM 447 O GLN A 32 -2.237 2.710 -5.704 1.00 0.00 O ATOM 448 CB GLN A 32 0.816 3.956 -6.275 1.00 0.00 C ATOM 449 CG GLN A 32 2.003 3.007 -6.475 1.00 0.00 C ATOM 450 CD GLN A 32 2.803 2.897 -5.175 1.00 0.00 C ATOM 451 OE1 GLN A 32 3.289 1.836 -4.836 1.00 0.00 O ATOM 452 NE2 GLN A 32 2.963 3.953 -4.427 1.00 0.00 N ATOM 0 H GLN A 32 -0.001 1.426 -5.639 1.00 0.00 H new ATOM 0 HA GLN A 32 0.208 4.074 -4.236 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.226 4.004 -7.190 1.00 0.00 H new ATOM 0 HB3 GLN A 32 1.180 4.964 -6.077 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.646 2.022 -6.778 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.643 3.375 -7.277 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.556 4.845 -4.710 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.495 3.887 -3.559 1.00 0.00 H new ATOM 461 N LEU A 33 -2.011 4.881 -5.553 1.00 0.00 N ATOM 462 CA LEU A 33 -3.442 5.064 -5.904 1.00 0.00 C ATOM 463 C LEU A 33 -3.661 6.432 -6.549 1.00 0.00 C ATOM 464 O LEU A 33 -3.019 7.402 -6.201 1.00 0.00 O ATOM 465 CB LEU A 33 -4.286 5.001 -4.629 1.00 0.00 C ATOM 466 CG LEU A 33 -4.308 3.573 -4.084 1.00 0.00 C ATOM 467 CD1 LEU A 33 -5.116 3.536 -2.787 1.00 0.00 C ATOM 468 CD2 LEU A 33 -4.952 2.639 -5.113 1.00 0.00 C ATOM 0 H LEU A 33 -1.483 5.737 -5.383 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.732 4.277 -6.601 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.877 5.678 -3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.302 5.334 -4.839 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.287 3.245 -3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.132 2.518 -2.397 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.657 4.198 -2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.136 3.865 -2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.966 1.622 -4.722 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.973 2.966 -5.312 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.376 2.664 -6.038 1.00 0.00 H new ATOM 480 N ASP A 34 -4.586 6.522 -7.465 1.00 0.00 N ATOM 481 CA ASP A 34 -4.870 7.838 -8.100 1.00 0.00 C ATOM 482 C ASP A 34 -6.347 8.186 -7.923 1.00 0.00 C ATOM 483 O ASP A 34 -7.214 7.446 -8.328 1.00 0.00 O ATOM 484 CB ASP A 34 -4.547 7.799 -9.590 1.00 0.00 C ATOM 485 CG ASP A 34 -3.064 8.109 -9.808 1.00 0.00 C ATOM 486 OD1 ASP A 34 -2.444 8.617 -8.889 1.00 0.00 O ATOM 487 OD2 ASP A 34 -2.576 7.840 -10.893 1.00 0.00 O ATOM 0 H ASP A 34 -5.155 5.744 -7.799 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.246 8.592 -7.620 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.786 6.817 -9.998 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.162 8.524 -10.124 1.00 0.00 H new ATOM 492 N GLY A 35 -6.588 9.331 -7.343 1.00 0.00 N ATOM 493 CA GLY A 35 -7.959 9.887 -7.094 1.00 0.00 C ATOM 494 C GLY A 35 -8.985 8.830 -6.681 1.00 0.00 C ATOM 495 O GLY A 35 -9.365 8.726 -5.531 1.00 0.00 O ATOM 0 H GLY A 35 -5.843 9.943 -7.010 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.898 10.646 -6.314 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.309 10.387 -7.998 1.00 0.00 H new ATOM 499 N ASP A 36 -9.461 8.082 -7.622 1.00 0.00 N ATOM 500 CA ASP A 36 -10.504 7.052 -7.329 1.00 0.00 C ATOM 501 C ASP A 36 -9.921 5.887 -6.528 1.00 0.00 C ATOM 502 O ASP A 36 -10.626 4.972 -6.153 1.00 0.00 O ATOM 503 CB ASP A 36 -11.071 6.522 -8.648 1.00 0.00 C ATOM 504 CG ASP A 36 -12.582 6.752 -8.684 1.00 0.00 C ATOM 505 OD1 ASP A 36 -13.273 6.147 -7.882 1.00 0.00 O ATOM 506 OD2 ASP A 36 -13.023 7.533 -9.512 1.00 0.00 O ATOM 0 H ASP A 36 -9.174 8.134 -8.599 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.291 7.518 -6.736 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.596 7.027 -9.489 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.852 5.459 -8.749 1.00 0.00 H new ATOM 511 N GLY A 37 -8.647 5.900 -6.263 1.00 0.00 N ATOM 512 CA GLY A 37 -8.047 4.782 -5.493 1.00 0.00 C ATOM 513 C GLY A 37 -7.625 3.675 -6.458 1.00 0.00 C ATOM 514 O GLY A 37 -7.450 2.533 -6.073 1.00 0.00 O ATOM 0 H GLY A 37 -7.998 6.634 -6.546 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.185 5.136 -4.928 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.766 4.396 -4.770 1.00 0.00 H new ATOM 518 N ASN A 38 -7.451 3.999 -7.715 1.00 0.00 N ATOM 519 CA ASN A 38 -7.026 2.952 -8.686 1.00 0.00 C ATOM 520 C ASN A 38 -5.541 2.672 -8.466 1.00 0.00 C ATOM 521 O ASN A 38 -4.738 3.581 -8.392 1.00 0.00 O ATOM 522 CB ASN A 38 -7.253 3.441 -10.116 1.00 0.00 C ATOM 523 CG ASN A 38 -8.692 3.937 -10.265 1.00 0.00 C ATOM 524 OD1 ASN A 38 -9.590 3.435 -9.619 1.00 0.00 O ATOM 525 ND2 ASN A 38 -8.951 4.909 -11.096 1.00 0.00 N ATOM 0 H ASN A 38 -7.584 4.932 -8.105 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.609 2.044 -8.535 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.554 4.244 -10.352 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.061 2.633 -10.822 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -9.907 5.247 -11.203 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.197 5.331 -11.638 1.00 0.00 H new ATOM 532 N ILE A 39 -5.165 1.431 -8.338 1.00 0.00 N ATOM 533 CA ILE A 39 -3.727 1.125 -8.095 1.00 0.00 C ATOM 534 C ILE A 39 -2.863 1.652 -9.245 1.00 0.00 C ATOM 535 O ILE A 39 -3.188 1.514 -10.407 1.00 0.00 O ATOM 536 CB ILE A 39 -3.534 -0.412 -7.915 1.00 0.00 C ATOM 537 CG1 ILE A 39 -2.649 -0.675 -6.688 1.00 0.00 C ATOM 538 CG2 ILE A 39 -2.875 -1.064 -9.140 1.00 0.00 C ATOM 539 CD1 ILE A 39 -3.521 -1.124 -5.515 1.00 0.00 C ATOM 0 H ILE A 39 -5.784 0.622 -8.390 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.409 1.625 -7.180 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.524 -0.850 -7.787 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.909 -1.441 -6.918 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.101 0.229 -6.422 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.762 -2.134 -8.966 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.500 -0.903 -10.018 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.894 -0.618 -9.306 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.892 -1.310 -4.645 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.244 -0.343 -5.280 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.049 -2.039 -5.784 1.00 0.00 H new ATOM 551 N LEU A 40 -1.742 2.208 -8.911 1.00 0.00 N ATOM 552 CA LEU A 40 -0.803 2.698 -9.953 1.00 0.00 C ATOM 553 C LEU A 40 0.380 1.720 -9.980 1.00 0.00 C ATOM 554 O LEU A 40 1.037 1.539 -10.985 1.00 0.00 O ATOM 555 CB LEU A 40 -0.309 4.113 -9.617 1.00 0.00 C ATOM 556 CG LEU A 40 -1.385 4.882 -8.836 1.00 0.00 C ATOM 557 CD1 LEU A 40 -0.806 6.200 -8.330 1.00 0.00 C ATOM 558 CD2 LEU A 40 -2.574 5.164 -9.755 1.00 0.00 C ATOM 0 H LEU A 40 -1.429 2.347 -7.950 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.298 2.747 -10.923 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.606 4.056 -9.028 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.064 4.648 -10.535 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.715 4.284 -7.987 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.571 6.745 -7.776 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.041 5.998 -7.675 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.475 6.801 -9.177 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.339 5.710 -9.203 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.244 5.762 -10.604 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.988 4.222 -10.114 1.00 0.00 H new ATOM 570 N GLN A 41 0.629 1.075 -8.865 1.00 0.00 N ATOM 571 CA GLN A 41 1.738 0.082 -8.773 1.00 0.00 C ATOM 572 C GLN A 41 1.458 -0.822 -7.562 1.00 0.00 C ATOM 573 O GLN A 41 0.970 -0.369 -6.546 1.00 0.00 O ATOM 574 CB GLN A 41 3.074 0.823 -8.594 1.00 0.00 C ATOM 575 CG GLN A 41 4.251 -0.123 -8.874 1.00 0.00 C ATOM 576 CD GLN A 41 4.319 -1.211 -7.798 1.00 0.00 C ATOM 577 OE1 GLN A 41 4.661 -2.341 -8.086 1.00 0.00 O ATOM 578 NE2 GLN A 41 4.006 -0.924 -6.560 1.00 0.00 N ATOM 0 H GLN A 41 0.099 1.200 -8.002 1.00 0.00 H new ATOM 0 HA GLN A 41 1.800 -0.520 -9.680 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.117 1.677 -9.269 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.147 1.215 -7.579 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.135 -0.579 -9.857 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.184 0.440 -8.892 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.718 0.023 -6.313 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.050 -1.647 -5.842 1.00 0.00 H new ATOM 587 N TYR A 42 1.745 -2.098 -7.657 1.00 0.00 N ATOM 588 CA TYR A 42 1.473 -3.012 -6.504 1.00 0.00 C ATOM 589 C TYR A 42 2.765 -3.713 -6.048 1.00 0.00 C ATOM 590 O TYR A 42 3.216 -3.521 -4.931 1.00 0.00 O ATOM 591 CB TYR A 42 0.450 -4.068 -6.943 1.00 0.00 C ATOM 592 CG TYR A 42 -0.229 -4.659 -5.735 1.00 0.00 C ATOM 593 CD1 TYR A 42 -0.808 -3.816 -4.787 1.00 0.00 C ATOM 594 CD2 TYR A 42 -0.278 -6.047 -5.562 1.00 0.00 C ATOM 595 CE1 TYR A 42 -1.440 -4.356 -3.662 1.00 0.00 C ATOM 596 CE2 TYR A 42 -0.910 -6.589 -4.437 1.00 0.00 C ATOM 597 CZ TYR A 42 -1.490 -5.743 -3.490 1.00 0.00 C ATOM 598 OH TYR A 42 -2.114 -6.274 -2.390 1.00 0.00 O ATOM 0 H TYR A 42 2.154 -2.544 -8.478 1.00 0.00 H new ATOM 0 HA TYR A 42 1.084 -2.428 -5.670 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.291 -3.617 -7.603 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.947 -4.854 -7.512 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.768 -2.745 -4.922 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.172 -6.699 -6.296 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.888 -3.703 -2.928 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.949 -7.660 -4.302 1.00 0.00 H new ATOM 0 HH TYR A 42 -2.040 -5.649 -1.639 1.00 0.00 H new ATOM 608 N ASN A 43 3.330 -4.532 -6.917 1.00 0.00 N ATOM 609 CA ASN A 43 4.589 -5.318 -6.629 1.00 0.00 C ATOM 610 C ASN A 43 4.197 -6.773 -6.306 1.00 0.00 C ATOM 611 O ASN A 43 3.031 -7.110 -6.271 1.00 0.00 O ATOM 612 CB ASN A 43 5.443 -4.682 -5.500 1.00 0.00 C ATOM 613 CG ASN A 43 5.051 -5.219 -4.118 1.00 0.00 C ATOM 614 OD1 ASN A 43 3.943 -5.668 -3.923 1.00 0.00 O ATOM 615 ND2 ASN A 43 5.922 -5.184 -3.147 1.00 0.00 N ATOM 0 H ASN A 43 2.955 -4.694 -7.851 1.00 0.00 H new ATOM 0 HA ASN A 43 5.225 -5.301 -7.514 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.498 -4.886 -5.683 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.320 -3.599 -5.517 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.670 -5.535 -2.223 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.855 -4.806 -3.312 1.00 0.00 H new ATOM 622 N ALA A 44 5.153 -7.644 -6.112 1.00 0.00 N ATOM 623 CA ALA A 44 4.809 -9.074 -5.840 1.00 0.00 C ATOM 624 C ALA A 44 4.798 -9.404 -4.339 1.00 0.00 C ATOM 625 O ALA A 44 4.231 -10.399 -3.939 1.00 0.00 O ATOM 626 CB ALA A 44 5.829 -9.976 -6.538 1.00 0.00 C ATOM 0 H ALA A 44 6.150 -7.431 -6.130 1.00 0.00 H new ATOM 0 HA ALA A 44 3.803 -9.246 -6.223 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.584 -11.020 -6.344 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.804 -9.791 -7.612 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.827 -9.760 -6.156 1.00 0.00 H new ATOM 632 N ALA A 45 5.424 -8.618 -3.506 1.00 0.00 N ATOM 633 CA ALA A 45 5.433 -8.955 -2.046 1.00 0.00 C ATOM 634 C ALA A 45 4.003 -9.076 -1.525 1.00 0.00 C ATOM 635 O ALA A 45 3.576 -10.122 -1.081 1.00 0.00 O ATOM 636 CB ALA A 45 6.156 -7.860 -1.259 1.00 0.00 C ATOM 0 H ALA A 45 5.924 -7.767 -3.764 1.00 0.00 H new ATOM 0 HA ALA A 45 5.951 -9.905 -1.915 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.157 -8.114 -0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.183 -7.776 -1.613 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.643 -6.909 -1.404 1.00 0.00 H new ATOM 642 N GLU A 46 3.271 -8.005 -1.564 1.00 0.00 N ATOM 643 CA GLU A 46 1.861 -8.042 -1.063 1.00 0.00 C ATOM 644 C GLU A 46 1.065 -9.042 -1.875 1.00 0.00 C ATOM 645 O GLU A 46 0.432 -9.926 -1.346 1.00 0.00 O ATOM 646 CB GLU A 46 1.170 -6.673 -1.181 1.00 0.00 C ATOM 647 CG GLU A 46 1.778 -5.810 -2.292 1.00 0.00 C ATOM 648 CD GLU A 46 1.153 -4.421 -2.255 1.00 0.00 C ATOM 649 OE1 GLU A 46 0.159 -4.259 -1.567 1.00 0.00 O ATOM 650 OE2 GLU A 46 1.785 -3.428 -2.974 1.00 0.00 O ATOM 0 H GLU A 46 3.581 -7.101 -1.920 1.00 0.00 H new ATOM 0 HA GLU A 46 1.898 -8.324 -0.011 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.108 -6.820 -1.378 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.248 -6.146 -0.230 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.858 -5.738 -2.162 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.604 -6.273 -3.263 1.00 0.00 H new ATOM 658 N GLY A 47 1.093 -8.901 -3.158 1.00 0.00 N ATOM 659 CA GLY A 47 0.333 -9.842 -4.031 1.00 0.00 C ATOM 660 C GLY A 47 0.794 -11.285 -3.781 1.00 0.00 C ATOM 661 O GLY A 47 0.146 -12.226 -4.196 1.00 0.00 O ATOM 0 H GLY A 47 1.610 -8.173 -3.652 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.735 -9.754 -3.831 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.484 -9.580 -5.078 1.00 0.00 H new ATOM 665 N ASP A 48 1.910 -11.478 -3.120 1.00 0.00 N ATOM 666 CA ASP A 48 2.392 -12.866 -2.868 1.00 0.00 C ATOM 667 C ASP A 48 1.776 -13.414 -1.575 1.00 0.00 C ATOM 668 O ASP A 48 1.563 -14.602 -1.440 1.00 0.00 O ATOM 669 CB ASP A 48 3.916 -12.857 -2.739 1.00 0.00 C ATOM 670 CG ASP A 48 4.545 -13.108 -4.112 1.00 0.00 C ATOM 671 OD1 ASP A 48 4.060 -12.538 -5.076 1.00 0.00 O ATOM 672 OD2 ASP A 48 5.498 -13.866 -4.174 1.00 0.00 O ATOM 0 H ASP A 48 2.503 -10.737 -2.747 1.00 0.00 H new ATOM 0 HA ASP A 48 2.094 -13.503 -3.701 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.253 -11.899 -2.342 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.237 -13.624 -2.034 1.00 0.00 H new ATOM 677 N ILE A 49 1.498 -12.566 -0.622 1.00 0.00 N ATOM 678 CA ILE A 49 0.911 -13.040 0.651 1.00 0.00 C ATOM 679 C ILE A 49 -0.610 -13.181 0.481 1.00 0.00 C ATOM 680 O ILE A 49 -1.223 -14.090 1.005 1.00 0.00 O ATOM 681 CB ILE A 49 1.284 -12.020 1.731 1.00 0.00 C ATOM 682 CG1 ILE A 49 2.586 -12.458 2.404 1.00 0.00 C ATOM 683 CG2 ILE A 49 0.196 -11.874 2.796 1.00 0.00 C ATOM 684 CD1 ILE A 49 3.774 -12.051 1.528 1.00 0.00 C ATOM 0 H ILE A 49 1.656 -11.560 -0.677 1.00 0.00 H new ATOM 0 HA ILE A 49 1.293 -14.019 0.942 1.00 0.00 H new ATOM 0 HB ILE A 49 1.401 -11.052 1.244 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.672 -11.998 3.389 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.585 -13.537 2.555 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.509 -11.140 3.538 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.730 -11.543 2.327 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.033 -12.835 3.283 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.702 -12.363 2.006 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.689 -12.532 0.553 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.777 -10.969 1.400 1.00 0.00 H new ATOM 696 N THR A 50 -1.214 -12.278 -0.237 1.00 0.00 N ATOM 697 CA THR A 50 -2.692 -12.338 -0.438 1.00 0.00 C ATOM 698 C THR A 50 -3.001 -12.882 -1.839 1.00 0.00 C ATOM 699 O THR A 50 -4.100 -13.322 -2.114 1.00 0.00 O ATOM 700 CB THR A 50 -3.310 -10.931 -0.280 1.00 0.00 C ATOM 701 OG1 THR A 50 -3.406 -10.299 -1.550 1.00 0.00 O ATOM 702 CG2 THR A 50 -2.447 -10.065 0.643 1.00 0.00 C ATOM 0 H THR A 50 -0.748 -11.496 -0.697 1.00 0.00 H new ATOM 0 HA THR A 50 -3.123 -13.000 0.313 1.00 0.00 H new ATOM 0 HB THR A 50 -4.303 -11.041 0.156 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.556 -9.861 -1.762 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.898 -9.078 0.742 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.381 -10.534 1.625 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.447 -9.966 0.220 1.00 0.00 H new ATOM 710 N GLY A 51 -2.043 -12.851 -2.725 1.00 0.00 N ATOM 711 CA GLY A 51 -2.282 -13.357 -4.101 1.00 0.00 C ATOM 712 C GLY A 51 -2.724 -12.206 -5.015 1.00 0.00 C ATOM 713 O GLY A 51 -2.904 -12.386 -6.203 1.00 0.00 O ATOM 0 H GLY A 51 -1.103 -12.495 -2.552 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.373 -13.814 -4.492 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.047 -14.133 -4.084 1.00 0.00 H new ATOM 717 N ARG A 52 -2.897 -11.025 -4.476 1.00 0.00 N ATOM 718 CA ARG A 52 -3.323 -9.872 -5.318 1.00 0.00 C ATOM 719 C ARG A 52 -2.300 -9.658 -6.432 1.00 0.00 C ATOM 720 O ARG A 52 -1.334 -8.940 -6.270 1.00 0.00 O ATOM 721 CB ARG A 52 -3.388 -8.608 -4.458 1.00 0.00 C ATOM 722 CG ARG A 52 -4.762 -8.495 -3.788 1.00 0.00 C ATOM 723 CD ARG A 52 -4.618 -7.740 -2.471 1.00 0.00 C ATOM 724 NE ARG A 52 -5.127 -6.331 -2.580 1.00 0.00 N ATOM 725 CZ ARG A 52 -4.505 -5.428 -3.303 1.00 0.00 C ATOM 726 NH1 ARG A 52 -4.292 -5.607 -4.580 1.00 0.00 N ATOM 727 NH2 ARG A 52 -4.108 -4.326 -2.740 1.00 0.00 N ATOM 0 H ARG A 52 -2.761 -10.812 -3.488 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.304 -10.079 -5.745 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.606 -8.635 -3.699 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.203 -7.729 -5.075 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.458 -7.974 -4.445 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.175 -9.488 -3.608 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.166 -8.265 -1.689 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.570 -7.726 -2.172 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.977 -6.069 -2.080 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.611 -6.462 -5.035 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.807 -4.892 -5.121 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.280 -4.170 -1.747 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.624 -3.617 -3.291 1.00 0.00 H new ATOM 741 N ASP A 53 -2.505 -10.266 -7.565 1.00 0.00 N ATOM 742 CA ASP A 53 -1.542 -10.086 -8.688 1.00 0.00 C ATOM 743 C ASP A 53 -1.382 -8.585 -8.971 1.00 0.00 C ATOM 744 O ASP A 53 -2.285 -7.821 -8.705 1.00 0.00 O ATOM 745 CB ASP A 53 -2.075 -10.789 -9.939 1.00 0.00 C ATOM 746 CG ASP A 53 -2.566 -12.190 -9.569 1.00 0.00 C ATOM 747 OD1 ASP A 53 -1.949 -12.804 -8.715 1.00 0.00 O ATOM 748 OD2 ASP A 53 -3.549 -12.622 -10.147 1.00 0.00 O ATOM 0 H ASP A 53 -3.296 -10.879 -7.763 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.577 -10.517 -8.419 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.889 -10.210 -10.375 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.291 -10.855 -10.694 1.00 0.00 H new ATOM 753 N PRO A 54 -0.241 -8.200 -9.497 1.00 0.00 N ATOM 754 CA PRO A 54 0.039 -6.787 -9.811 1.00 0.00 C ATOM 755 C PRO A 54 -0.668 -6.370 -11.103 1.00 0.00 C ATOM 756 O PRO A 54 -1.235 -5.298 -11.194 1.00 0.00 O ATOM 757 CB PRO A 54 1.559 -6.746 -9.981 1.00 0.00 C ATOM 758 CG PRO A 54 2.000 -8.191 -10.315 1.00 0.00 C ATOM 759 CD PRO A 54 0.873 -9.120 -9.826 1.00 0.00 C ATOM 0 HA PRO A 54 -0.316 -6.103 -9.040 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.842 -6.059 -10.779 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.042 -6.393 -9.070 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.161 -8.309 -11.387 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.942 -8.432 -9.822 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.584 -9.835 -10.596 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.183 -9.697 -8.955 1.00 0.00 H new ATOM 767 N LYS A 55 -0.637 -7.204 -12.106 1.00 0.00 N ATOM 768 CA LYS A 55 -1.302 -6.851 -13.390 1.00 0.00 C ATOM 769 C LYS A 55 -2.820 -6.979 -13.244 1.00 0.00 C ATOM 770 O LYS A 55 -3.575 -6.311 -13.921 1.00 0.00 O ATOM 771 CB LYS A 55 -0.816 -7.794 -14.493 1.00 0.00 C ATOM 772 CG LYS A 55 0.628 -7.447 -14.861 1.00 0.00 C ATOM 773 CD LYS A 55 0.768 -7.397 -16.384 1.00 0.00 C ATOM 774 CE LYS A 55 0.237 -6.060 -16.903 1.00 0.00 C ATOM 775 NZ LYS A 55 1.089 -5.590 -18.032 1.00 0.00 N ATOM 0 H LYS A 55 -0.179 -8.115 -12.091 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.052 -5.822 -13.650 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.878 -8.828 -14.155 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.457 -7.706 -15.370 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.904 -6.486 -14.428 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.309 -8.190 -14.447 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.813 -7.520 -16.668 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.216 -8.220 -16.838 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.795 -6.171 -17.234 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.237 -5.321 -16.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.728 -4.681 -18.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.068 -5.469 -17.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.067 -6.292 -18.799 1.00 0.00 H new ATOM 789 N GLN A 56 -3.275 -7.834 -12.369 1.00 0.00 N ATOM 790 CA GLN A 56 -4.745 -8.000 -12.191 1.00 0.00 C ATOM 791 C GLN A 56 -5.284 -6.880 -11.299 1.00 0.00 C ATOM 792 O GLN A 56 -6.347 -6.341 -11.537 1.00 0.00 O ATOM 793 CB GLN A 56 -5.031 -9.354 -11.540 1.00 0.00 C ATOM 794 CG GLN A 56 -6.530 -9.653 -11.618 1.00 0.00 C ATOM 795 CD GLN A 56 -6.848 -10.325 -12.956 1.00 0.00 C ATOM 796 OE1 GLN A 56 -6.275 -11.342 -13.290 1.00 0.00 O ATOM 797 NE2 GLN A 56 -7.745 -9.794 -13.741 1.00 0.00 N ATOM 0 H GLN A 56 -2.694 -8.423 -11.772 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.234 -7.954 -13.164 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.466 -10.138 -12.044 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.705 -9.345 -10.500 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.825 -10.302 -10.794 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -7.101 -8.730 -11.518 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -8.227 -8.940 -13.461 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.965 -10.233 -14.635 1.00 0.00 H new ATOM 806 N VAL A 57 -4.556 -6.519 -10.279 1.00 0.00 N ATOM 807 CA VAL A 57 -5.025 -5.426 -9.382 1.00 0.00 C ATOM 808 C VAL A 57 -4.805 -4.073 -10.055 1.00 0.00 C ATOM 809 O VAL A 57 -5.151 -3.042 -9.514 1.00 0.00 O ATOM 810 CB VAL A 57 -4.248 -5.474 -8.069 1.00 0.00 C ATOM 811 CG1 VAL A 57 -4.441 -6.846 -7.433 1.00 0.00 C ATOM 812 CG2 VAL A 57 -2.760 -5.232 -8.343 1.00 0.00 C ATOM 0 H VAL A 57 -3.658 -6.933 -10.028 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.088 -5.559 -9.181 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.613 -4.701 -7.393 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.890 -6.892 -6.494 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.501 -7.012 -7.241 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.070 -7.616 -8.109 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.207 -5.267 -7.404 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.384 -6.003 -9.015 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.630 -4.253 -8.805 1.00 0.00 H new ATOM 822 N ILE A 58 -4.235 -4.059 -11.229 1.00 0.00 N ATOM 823 CA ILE A 58 -4.010 -2.766 -11.914 1.00 0.00 C ATOM 824 C ILE A 58 -5.358 -2.228 -12.387 1.00 0.00 C ATOM 825 O ILE A 58 -6.078 -2.872 -13.126 1.00 0.00 O ATOM 826 CB ILE A 58 -3.010 -2.980 -13.076 1.00 0.00 C ATOM 827 CG1 ILE A 58 -1.652 -2.448 -12.630 1.00 0.00 C ATOM 828 CG2 ILE A 58 -3.436 -2.243 -14.359 1.00 0.00 C ATOM 829 CD1 ILE A 58 -0.555 -3.008 -13.537 1.00 0.00 C ATOM 0 H ILE A 58 -3.919 -4.885 -11.737 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.573 -2.026 -11.243 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.974 -4.045 -13.307 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.647 -1.359 -12.668 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.462 -2.732 -11.595 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.702 -2.425 -15.144 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.411 -2.609 -14.682 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.497 -1.173 -14.161 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.414 -2.626 -13.215 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.554 -4.096 -13.477 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.742 -2.702 -14.566 1.00 0.00 H new ATOM 841 N GLY A 59 -5.704 -1.057 -11.951 1.00 0.00 N ATOM 842 CA GLY A 59 -7.009 -0.471 -12.356 1.00 0.00 C ATOM 843 C GLY A 59 -8.086 -0.883 -11.347 1.00 0.00 C ATOM 844 O GLY A 59 -9.170 -0.335 -11.331 1.00 0.00 O ATOM 0 H GLY A 59 -5.140 -0.476 -11.330 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.934 0.615 -12.401 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.280 -0.814 -13.355 1.00 0.00 H new ATOM 848 N LYS A 60 -7.800 -1.840 -10.499 1.00 0.00 N ATOM 849 CA LYS A 60 -8.818 -2.265 -9.499 1.00 0.00 C ATOM 850 C LYS A 60 -8.832 -1.260 -8.348 1.00 0.00 C ATOM 851 O LYS A 60 -7.798 -0.838 -7.866 1.00 0.00 O ATOM 852 CB LYS A 60 -8.468 -3.656 -8.947 1.00 0.00 C ATOM 853 CG LYS A 60 -8.273 -4.643 -10.102 1.00 0.00 C ATOM 854 CD LYS A 60 -9.608 -4.881 -10.812 1.00 0.00 C ATOM 855 CE LYS A 60 -9.351 -5.268 -12.270 1.00 0.00 C ATOM 856 NZ LYS A 60 -10.580 -5.884 -12.850 1.00 0.00 N ATOM 0 H LYS A 60 -6.912 -2.340 -10.458 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.797 -2.306 -9.977 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.559 -3.601 -8.348 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.263 -4.006 -8.289 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.540 -4.251 -10.807 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.879 -5.586 -9.724 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.164 -5.671 -10.308 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.221 -3.981 -10.767 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.067 -4.387 -12.846 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.518 -5.969 -12.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.403 -6.146 -13.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.832 -6.734 -12.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.364 -5.202 -12.807 1.00 0.00 H new ATOM 870 N ASN A 61 -9.995 -0.876 -7.902 1.00 0.00 N ATOM 871 CA ASN A 61 -10.075 0.094 -6.780 1.00 0.00 C ATOM 872 C ASN A 61 -9.663 -0.615 -5.490 1.00 0.00 C ATOM 873 O ASN A 61 -10.459 -1.261 -4.841 1.00 0.00 O ATOM 874 CB ASN A 61 -11.511 0.609 -6.651 1.00 0.00 C ATOM 875 CG ASN A 61 -11.511 2.139 -6.678 1.00 0.00 C ATOM 876 OD1 ASN A 61 -11.608 2.776 -5.648 1.00 0.00 O ATOM 877 ND2 ASN A 61 -11.405 2.758 -7.822 1.00 0.00 N ATOM 0 H ASN A 61 -10.893 -1.193 -8.267 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.411 0.938 -6.967 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.122 0.221 -7.466 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.954 0.251 -5.722 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.404 3.778 -7.852 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.324 2.222 -8.686 1.00 0.00 H new ATOM 884 N PHE A 62 -8.419 -0.504 -5.116 1.00 0.00 N ATOM 885 CA PHE A 62 -7.944 -1.178 -3.873 1.00 0.00 C ATOM 886 C PHE A 62 -8.829 -0.771 -2.692 1.00 0.00 C ATOM 887 O PHE A 62 -8.881 -1.449 -1.685 1.00 0.00 O ATOM 888 CB PHE A 62 -6.493 -0.752 -3.599 1.00 0.00 C ATOM 889 CG PHE A 62 -6.106 -1.060 -2.165 1.00 0.00 C ATOM 890 CD1 PHE A 62 -5.919 -2.383 -1.764 1.00 0.00 C ATOM 891 CD2 PHE A 62 -5.938 -0.018 -1.243 1.00 0.00 C ATOM 892 CE1 PHE A 62 -5.559 -2.670 -0.443 1.00 0.00 C ATOM 893 CE2 PHE A 62 -5.574 -0.304 0.080 1.00 0.00 C ATOM 894 CZ PHE A 62 -5.382 -1.632 0.477 1.00 0.00 C ATOM 0 H PHE A 62 -7.707 0.026 -5.619 1.00 0.00 H new ATOM 0 HA PHE A 62 -7.996 -2.259 -4.000 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.821 -1.272 -4.282 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.380 0.315 -3.790 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.052 -3.186 -2.474 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.089 1.006 -1.552 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -5.418 -3.695 -0.133 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.442 0.498 0.791 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.097 -1.855 1.494 1.00 0.00 H new ATOM 904 N PHE A 63 -9.487 0.341 -2.788 1.00 0.00 N ATOM 905 CA PHE A 63 -10.321 0.794 -1.643 1.00 0.00 C ATOM 906 C PHE A 63 -11.759 0.285 -1.785 1.00 0.00 C ATOM 907 O PHE A 63 -12.432 0.023 -0.808 1.00 0.00 O ATOM 908 CB PHE A 63 -10.321 2.321 -1.585 1.00 0.00 C ATOM 909 CG PHE A 63 -9.256 2.770 -0.616 1.00 0.00 C ATOM 910 CD1 PHE A 63 -9.467 2.642 0.761 1.00 0.00 C ATOM 911 CD2 PHE A 63 -8.057 3.305 -1.095 1.00 0.00 C ATOM 912 CE1 PHE A 63 -8.476 3.050 1.662 1.00 0.00 C ATOM 913 CE2 PHE A 63 -7.065 3.715 -0.196 1.00 0.00 C ATOM 914 CZ PHE A 63 -7.274 3.587 1.183 1.00 0.00 C ATOM 0 H PHE A 63 -9.487 0.955 -3.602 1.00 0.00 H new ATOM 0 HA PHE A 63 -9.899 0.390 -0.723 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -10.130 2.736 -2.575 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.298 2.687 -1.269 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -10.394 2.228 1.129 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.896 3.402 -2.158 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.638 2.951 2.725 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.139 4.130 -0.566 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.509 3.902 1.877 1.00 0.00 H new ATOM 924 N LYS A 64 -12.240 0.147 -2.990 1.00 0.00 N ATOM 925 CA LYS A 64 -13.636 -0.339 -3.182 1.00 0.00 C ATOM 926 C LYS A 64 -13.663 -1.339 -4.335 1.00 0.00 C ATOM 927 O LYS A 64 -14.515 -1.289 -5.198 1.00 0.00 O ATOM 928 CB LYS A 64 -14.548 0.844 -3.510 1.00 0.00 C ATOM 929 CG LYS A 64 -16.011 0.405 -3.416 1.00 0.00 C ATOM 930 CD LYS A 64 -16.919 1.586 -3.759 1.00 0.00 C ATOM 931 CE LYS A 64 -17.534 2.146 -2.474 1.00 0.00 C ATOM 932 NZ LYS A 64 -18.399 3.317 -2.797 1.00 0.00 N ATOM 0 H LYS A 64 -11.728 0.349 -3.849 1.00 0.00 H new ATOM 0 HA LYS A 64 -13.986 -0.821 -2.269 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.359 1.665 -2.818 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.333 1.215 -4.512 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -16.198 -0.423 -4.100 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -16.230 0.044 -2.411 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -16.348 2.361 -4.270 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -17.706 1.267 -4.443 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -18.121 1.375 -1.975 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.746 2.444 -1.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.814 3.694 -1.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -17.827 4.055 -3.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -19.160 3.020 -3.441 1.00 0.00 H new ATOM 946 N ASP A 65 -12.726 -2.242 -4.359 1.00 0.00 N ATOM 947 CA ASP A 65 -12.688 -3.243 -5.462 1.00 0.00 C ATOM 948 C ASP A 65 -11.772 -4.416 -5.092 1.00 0.00 C ATOM 949 O ASP A 65 -12.001 -5.537 -5.500 1.00 0.00 O ATOM 950 CB ASP A 65 -12.159 -2.576 -6.732 1.00 0.00 C ATOM 951 CG ASP A 65 -12.449 -3.469 -7.939 1.00 0.00 C ATOM 952 OD1 ASP A 65 -12.465 -4.677 -7.768 1.00 0.00 O ATOM 953 OD2 ASP A 65 -12.650 -2.930 -9.015 1.00 0.00 O ATOM 0 H ASP A 65 -11.985 -2.332 -3.664 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.697 -3.620 -5.628 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.629 -1.602 -6.866 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.086 -2.403 -6.644 1.00 0.00 H new ATOM 958 N VAL A 66 -10.734 -4.180 -4.330 1.00 0.00 N ATOM 959 CA VAL A 66 -9.824 -5.286 -3.958 1.00 0.00 C ATOM 960 C VAL A 66 -9.958 -5.545 -2.474 1.00 0.00 C ATOM 961 O VAL A 66 -10.111 -6.662 -2.021 1.00 0.00 O ATOM 962 CB VAL A 66 -8.384 -4.855 -4.206 1.00 0.00 C ATOM 963 CG1 VAL A 66 -7.488 -6.085 -4.211 1.00 0.00 C ATOM 964 CG2 VAL A 66 -8.261 -4.125 -5.540 1.00 0.00 C ATOM 0 H VAL A 66 -10.484 -3.266 -3.953 1.00 0.00 H new ATOM 0 HA VAL A 66 -10.073 -6.172 -4.543 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.078 -4.174 -3.412 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.456 -5.783 -4.388 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.558 -6.590 -3.248 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.808 -6.765 -5.001 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.225 -3.826 -5.697 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.574 -4.787 -6.347 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.896 -3.239 -5.530 1.00 0.00 H new ATOM 974 N ALA A 67 -9.853 -4.500 -1.721 1.00 0.00 N ATOM 975 CA ALA A 67 -9.917 -4.617 -0.255 1.00 0.00 C ATOM 976 C ALA A 67 -11.070 -3.755 0.284 1.00 0.00 C ATOM 977 O ALA A 67 -10.894 -2.576 0.510 1.00 0.00 O ATOM 978 CB ALA A 67 -8.585 -4.109 0.283 1.00 0.00 C ATOM 0 H ALA A 67 -9.723 -3.550 -2.069 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.094 -5.647 0.054 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.583 -4.176 1.371 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.775 -4.717 -0.119 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.444 -3.071 -0.017 1.00 0.00 H new ATOM 984 N PRO A 68 -12.223 -4.361 0.478 1.00 0.00 N ATOM 985 CA PRO A 68 -13.403 -3.643 0.990 1.00 0.00 C ATOM 986 C PRO A 68 -13.247 -3.355 2.487 1.00 0.00 C ATOM 987 O PRO A 68 -14.052 -2.665 3.081 1.00 0.00 O ATOM 988 CB PRO A 68 -14.562 -4.606 0.719 1.00 0.00 C ATOM 989 CG PRO A 68 -13.939 -6.015 0.588 1.00 0.00 C ATOM 990 CD PRO A 68 -12.457 -5.802 0.224 1.00 0.00 C ATOM 0 HA PRO A 68 -13.555 -2.673 0.517 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -15.289 -4.577 1.531 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -15.091 -4.329 -0.193 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -14.034 -6.570 1.521 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -14.449 -6.595 -0.181 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.804 -6.425 0.835 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -12.262 -6.060 -0.817 1.00 0.00 H new ATOM 998 N CYS A 69 -12.212 -3.864 3.099 1.00 0.00 N ATOM 999 CA CYS A 69 -12.002 -3.604 4.547 1.00 0.00 C ATOM 1000 C CYS A 69 -11.430 -2.189 4.715 1.00 0.00 C ATOM 1001 O CYS A 69 -11.691 -1.507 5.687 1.00 0.00 O ATOM 1002 CB CYS A 69 -11.023 -4.652 5.108 1.00 0.00 C ATOM 1003 SG CYS A 69 -9.337 -4.313 4.520 1.00 0.00 S ATOM 0 H CYS A 69 -11.504 -4.449 2.656 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.944 -3.676 5.091 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -11.046 -4.636 6.198 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -11.330 -5.651 4.798 1.00 0.00 H new ATOM 0 HG CYS A 69 -8.522 -5.203 5.003 1.00 0.00 H new ATOM 1008 N THR A 70 -10.645 -1.754 3.763 1.00 0.00 N ATOM 1009 CA THR A 70 -10.040 -0.394 3.842 1.00 0.00 C ATOM 1010 C THR A 70 -11.130 0.668 3.675 1.00 0.00 C ATOM 1011 O THR A 70 -10.896 1.840 3.880 1.00 0.00 O ATOM 1012 CB THR A 70 -8.996 -0.238 2.733 1.00 0.00 C ATOM 1013 OG1 THR A 70 -9.657 -0.090 1.481 1.00 0.00 O ATOM 1014 CG2 THR A 70 -8.082 -1.471 2.721 1.00 0.00 C ATOM 0 H THR A 70 -10.397 -2.287 2.930 1.00 0.00 H new ATOM 0 HA THR A 70 -9.562 -0.266 4.813 1.00 0.00 H new ATOM 0 HB THR A 70 -8.387 0.648 2.913 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.418 0.774 1.085 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.337 -1.364 1.933 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.580 -1.561 3.684 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.679 -2.364 2.537 1.00 0.00 H new ATOM 1022 N ASP A 71 -12.322 0.273 3.312 1.00 0.00 N ATOM 1023 CA ASP A 71 -13.415 1.270 3.151 1.00 0.00 C ATOM 1024 C ASP A 71 -14.024 1.555 4.527 1.00 0.00 C ATOM 1025 O ASP A 71 -15.085 1.067 4.862 1.00 0.00 O ATOM 1026 CB ASP A 71 -14.487 0.704 2.217 1.00 0.00 C ATOM 1027 CG ASP A 71 -15.235 1.852 1.538 1.00 0.00 C ATOM 1028 OD1 ASP A 71 -15.903 2.595 2.238 1.00 0.00 O ATOM 1029 OD2 ASP A 71 -15.128 1.969 0.328 1.00 0.00 O ATOM 0 H ASP A 71 -12.583 -0.694 3.121 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.022 2.192 2.723 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -14.027 0.062 1.466 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -15.185 0.085 2.781 1.00 0.00 H new ATOM 1034 N SER A 72 -13.349 2.333 5.330 1.00 0.00 N ATOM 1035 CA SER A 72 -13.870 2.646 6.690 1.00 0.00 C ATOM 1036 C SER A 72 -13.099 3.843 7.259 1.00 0.00 C ATOM 1037 O SER A 72 -12.139 4.285 6.656 1.00 0.00 O ATOM 1038 CB SER A 72 -13.661 1.439 7.604 1.00 0.00 C ATOM 1039 OG SER A 72 -13.384 0.290 6.813 1.00 0.00 O ATOM 0 H SER A 72 -12.455 2.767 5.100 1.00 0.00 H new ATOM 0 HA SER A 72 -14.933 2.881 6.630 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.837 1.628 8.292 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.550 1.270 8.211 1.00 0.00 H new ATOM 0 HG SER A 72 -12.434 0.061 6.890 1.00 0.00 H new ATOM 1045 N PRO A 73 -13.534 4.330 8.409 1.00 0.00 N ATOM 1046 CA PRO A 73 -12.891 5.477 9.078 1.00 0.00 C ATOM 1047 C PRO A 73 -11.602 5.033 9.780 1.00 0.00 C ATOM 1048 O PRO A 73 -11.557 4.876 10.984 1.00 0.00 O ATOM 1049 CB PRO A 73 -13.934 5.939 10.098 1.00 0.00 C ATOM 1050 CG PRO A 73 -14.860 4.727 10.356 1.00 0.00 C ATOM 1051 CD PRO A 73 -14.700 3.785 9.148 1.00 0.00 C ATOM 0 HA PRO A 73 -12.605 6.268 8.385 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.456 6.266 11.021 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.502 6.787 9.716 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.586 4.220 11.281 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.896 5.047 10.463 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -14.524 2.757 9.466 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -15.596 3.778 8.528 1.00 0.00 H new ATOM 1059 N GLU A 74 -10.562 4.832 9.025 1.00 0.00 N ATOM 1060 CA GLU A 74 -9.264 4.398 9.610 1.00 0.00 C ATOM 1061 C GLU A 74 -8.303 4.115 8.461 1.00 0.00 C ATOM 1062 O GLU A 74 -7.131 4.429 8.514 1.00 0.00 O ATOM 1063 CB GLU A 74 -9.468 3.126 10.426 1.00 0.00 C ATOM 1064 CG GLU A 74 -8.716 3.241 11.753 1.00 0.00 C ATOM 1065 CD GLU A 74 -9.299 2.247 12.758 1.00 0.00 C ATOM 1066 OE1 GLU A 74 -10.502 2.279 12.963 1.00 0.00 O ATOM 1067 OE2 GLU A 74 -8.535 1.471 13.308 1.00 0.00 O ATOM 0 H GLU A 74 -10.555 4.952 8.012 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.864 5.174 10.262 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.530 2.967 10.611 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -9.109 2.262 9.867 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.655 3.040 11.601 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.796 4.256 12.142 1.00 0.00 H new ATOM 1074 N PHE A 75 -8.811 3.539 7.412 1.00 0.00 N ATOM 1075 CA PHE A 75 -7.965 3.249 6.230 1.00 0.00 C ATOM 1076 C PHE A 75 -8.333 4.262 5.143 1.00 0.00 C ATOM 1077 O PHE A 75 -7.542 5.112 4.765 1.00 0.00 O ATOM 1078 CB PHE A 75 -8.247 1.825 5.738 1.00 0.00 C ATOM 1079 CG PHE A 75 -6.997 1.253 5.116 1.00 0.00 C ATOM 1080 CD1 PHE A 75 -6.441 1.866 3.989 1.00 0.00 C ATOM 1081 CD2 PHE A 75 -6.390 0.117 5.668 1.00 0.00 C ATOM 1082 CE1 PHE A 75 -5.279 1.344 3.409 1.00 0.00 C ATOM 1083 CE2 PHE A 75 -5.225 -0.404 5.088 1.00 0.00 C ATOM 1084 CZ PHE A 75 -4.671 0.210 3.960 1.00 0.00 C ATOM 0 H PHE A 75 -9.786 3.254 7.324 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.906 3.325 6.479 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.572 1.199 6.569 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.058 1.834 5.009 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.908 2.743 3.566 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.819 -0.356 6.539 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.852 1.816 2.537 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.755 -1.279 5.512 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.773 -0.191 3.514 1.00 0.00 H new ATOM 1094 N TYR A 76 -9.548 4.214 4.669 1.00 0.00 N ATOM 1095 CA TYR A 76 -9.965 5.200 3.641 1.00 0.00 C ATOM 1096 C TYR A 76 -10.299 6.515 4.337 1.00 0.00 C ATOM 1097 O TYR A 76 -10.298 7.557 3.730 1.00 0.00 O ATOM 1098 CB TYR A 76 -11.187 4.690 2.874 1.00 0.00 C ATOM 1099 CG TYR A 76 -11.330 5.478 1.591 1.00 0.00 C ATOM 1100 CD1 TYR A 76 -10.217 5.669 0.757 1.00 0.00 C ATOM 1101 CD2 TYR A 76 -12.569 6.022 1.236 1.00 0.00 C ATOM 1102 CE1 TYR A 76 -10.347 6.401 -0.430 1.00 0.00 C ATOM 1103 CE2 TYR A 76 -12.699 6.754 0.050 1.00 0.00 C ATOM 1104 CZ TYR A 76 -11.588 6.943 -0.784 1.00 0.00 C ATOM 1105 OH TYR A 76 -11.718 7.665 -1.953 1.00 0.00 O ATOM 0 H TYR A 76 -10.261 3.540 4.948 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.154 5.349 2.928 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.076 3.628 2.653 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -12.085 4.797 3.483 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.260 5.251 1.031 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -13.426 5.877 1.877 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.491 6.547 -1.072 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.656 7.174 -0.223 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.645 7.969 -2.048 1.00 0.00 H new ATOM 1115 N GLY A 77 -10.574 6.472 5.614 1.00 0.00 N ATOM 1116 CA GLY A 77 -10.880 7.724 6.360 1.00 0.00 C ATOM 1117 C GLY A 77 -9.653 8.624 6.343 1.00 0.00 C ATOM 1118 O GLY A 77 -9.697 9.754 5.897 1.00 0.00 O ATOM 0 H GLY A 77 -10.599 5.619 6.173 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.728 8.235 5.905 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.162 7.491 7.387 1.00 0.00 H new ATOM 1122 N LYS A 78 -8.554 8.126 6.839 1.00 0.00 N ATOM 1123 CA LYS A 78 -7.310 8.945 6.870 1.00 0.00 C ATOM 1124 C LYS A 78 -6.844 9.231 5.446 1.00 0.00 C ATOM 1125 O LYS A 78 -6.048 10.113 5.210 1.00 0.00 O ATOM 1126 CB LYS A 78 -6.228 8.196 7.655 1.00 0.00 C ATOM 1127 CG LYS A 78 -6.845 7.527 8.899 1.00 0.00 C ATOM 1128 CD LYS A 78 -7.935 8.422 9.516 1.00 0.00 C ATOM 1129 CE LYS A 78 -7.932 8.267 11.038 1.00 0.00 C ATOM 1130 NZ LYS A 78 -8.989 9.135 11.628 1.00 0.00 N ATOM 0 H LYS A 78 -8.464 7.186 7.225 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.507 9.896 7.364 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.763 7.442 7.020 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.442 8.888 7.957 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.272 6.562 8.625 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.067 7.333 9.637 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.759 9.463 9.247 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.912 8.150 9.115 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.109 7.226 11.308 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.956 8.540 11.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.987 9.030 12.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.801 10.128 11.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.918 8.855 11.253 1.00 0.00 H new ATOM 1144 N PHE A 79 -7.338 8.496 4.497 1.00 0.00 N ATOM 1145 CA PHE A 79 -6.951 8.725 3.090 1.00 0.00 C ATOM 1146 C PHE A 79 -7.789 9.861 2.509 1.00 0.00 C ATOM 1147 O PHE A 79 -7.318 10.630 1.709 1.00 0.00 O ATOM 1148 CB PHE A 79 -7.221 7.441 2.323 1.00 0.00 C ATOM 1149 CG PHE A 79 -7.067 7.632 0.825 1.00 0.00 C ATOM 1150 CD1 PHE A 79 -8.082 8.269 0.093 1.00 0.00 C ATOM 1151 CD2 PHE A 79 -5.931 7.146 0.159 1.00 0.00 C ATOM 1152 CE1 PHE A 79 -7.961 8.413 -1.295 1.00 0.00 C ATOM 1153 CE2 PHE A 79 -5.816 7.296 -1.222 1.00 0.00 C ATOM 1154 CZ PHE A 79 -6.827 7.923 -1.949 1.00 0.00 C ATOM 0 H PHE A 79 -8.003 7.736 4.642 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.898 8.997 3.018 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.535 6.665 2.662 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.230 7.093 2.542 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.957 8.648 0.601 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.146 6.656 0.716 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.742 8.902 -1.859 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.939 6.925 -1.732 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.734 8.030 -3.020 1.00 0.00 H new ATOM 1164 N LYS A 80 -9.023 9.973 2.902 1.00 0.00 N ATOM 1165 CA LYS A 80 -9.870 11.057 2.367 1.00 0.00 C ATOM 1166 C LYS A 80 -9.486 12.366 3.042 1.00 0.00 C ATOM 1167 O LYS A 80 -9.854 13.436 2.601 1.00 0.00 O ATOM 1168 CB LYS A 80 -11.341 10.746 2.653 1.00 0.00 C ATOM 1169 CG LYS A 80 -12.063 10.414 1.345 1.00 0.00 C ATOM 1170 CD LYS A 80 -13.522 10.865 1.443 1.00 0.00 C ATOM 1171 CE LYS A 80 -14.350 10.167 0.362 1.00 0.00 C ATOM 1172 NZ LYS A 80 -15.794 10.233 0.723 1.00 0.00 N ATOM 0 H LYS A 80 -9.479 9.356 3.574 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.724 11.141 1.290 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.417 9.907 3.345 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.816 11.600 3.135 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.572 10.912 0.509 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.014 9.342 1.151 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.921 10.629 2.430 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.587 11.946 1.324 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.183 10.644 -0.604 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.036 9.128 0.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -16.357 9.759 -0.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.946 9.759 1.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -16.088 11.228 0.797 1.00 0.00 H new ATOM 1186 N GLU A 81 -8.725 12.293 4.099 1.00 0.00 N ATOM 1187 CA GLU A 81 -8.301 13.553 4.779 1.00 0.00 C ATOM 1188 C GLU A 81 -6.913 13.909 4.271 1.00 0.00 C ATOM 1189 O GLU A 81 -6.615 15.048 3.979 1.00 0.00 O ATOM 1190 CB GLU A 81 -8.286 13.375 6.302 1.00 0.00 C ATOM 1191 CG GLU A 81 -7.256 12.320 6.692 1.00 0.00 C ATOM 1192 CD GLU A 81 -7.265 12.137 8.211 1.00 0.00 C ATOM 1193 OE1 GLU A 81 -8.342 12.154 8.784 1.00 0.00 O ATOM 1194 OE2 GLU A 81 -6.195 11.983 8.776 1.00 0.00 O ATOM 0 H GLU A 81 -8.381 11.429 4.518 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.006 14.354 4.554 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.049 14.323 6.785 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.275 13.077 6.652 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.483 11.375 6.200 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.264 12.623 6.357 1.00 0.00 H new ATOM 1201 N GLY A 82 -6.072 12.924 4.133 1.00 0.00 N ATOM 1202 CA GLY A 82 -4.705 13.179 3.603 1.00 0.00 C ATOM 1203 C GLY A 82 -4.859 13.768 2.205 1.00 0.00 C ATOM 1204 O GLY A 82 -4.159 14.680 1.814 1.00 0.00 O ATOM 0 H GLY A 82 -6.273 11.951 4.365 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.164 13.868 4.252 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.128 12.255 3.568 1.00 0.00 H new ATOM 1208 N VAL A 83 -5.795 13.250 1.457 1.00 0.00 N ATOM 1209 CA VAL A 83 -6.037 13.769 0.082 1.00 0.00 C ATOM 1210 C VAL A 83 -6.406 15.253 0.159 1.00 0.00 C ATOM 1211 O VAL A 83 -5.886 16.074 -0.572 1.00 0.00 O ATOM 1212 CB VAL A 83 -7.194 12.989 -0.547 1.00 0.00 C ATOM 1213 CG1 VAL A 83 -7.521 13.559 -1.928 1.00 0.00 C ATOM 1214 CG2 VAL A 83 -6.799 11.520 -0.686 1.00 0.00 C ATOM 0 H VAL A 83 -6.406 12.485 1.742 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.139 13.649 -0.524 1.00 0.00 H new ATOM 0 HB VAL A 83 -8.072 13.076 0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.345 12.997 -2.367 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.806 14.606 -1.831 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.645 13.480 -2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.622 10.963 -1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.917 11.439 -1.322 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.576 11.109 0.298 1.00 0.00 H new ATOM 1224 N ALA A 84 -7.309 15.602 1.034 1.00 0.00 N ATOM 1225 CA ALA A 84 -7.726 17.027 1.159 1.00 0.00 C ATOM 1226 C ALA A 84 -6.841 17.755 2.177 1.00 0.00 C ATOM 1227 O ALA A 84 -7.077 18.899 2.508 1.00 0.00 O ATOM 1228 CB ALA A 84 -9.173 17.078 1.637 1.00 0.00 C ATOM 0 H ALA A 84 -7.778 14.958 1.671 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.626 17.513 0.189 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.488 18.117 1.732 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.813 16.569 0.916 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.254 16.584 2.605 1.00 0.00 H new ATOM 1234 N SER A 85 -5.830 17.105 2.680 1.00 0.00 N ATOM 1235 CA SER A 85 -4.943 17.766 3.679 1.00 0.00 C ATOM 1236 C SER A 85 -3.649 18.217 2.998 1.00 0.00 C ATOM 1237 O SER A 85 -2.997 19.143 3.436 1.00 0.00 O ATOM 1238 CB SER A 85 -4.612 16.778 4.799 1.00 0.00 C ATOM 1239 OG SER A 85 -5.724 16.678 5.679 1.00 0.00 O ATOM 0 H SER A 85 -5.579 16.145 2.443 1.00 0.00 H new ATOM 0 HA SER A 85 -5.453 18.634 4.097 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.376 15.800 4.379 1.00 0.00 H new ATOM 0 HB3 SER A 85 -3.730 17.112 5.345 1.00 0.00 H new ATOM 0 HG SER A 85 -6.505 16.354 5.184 1.00 0.00 H new ATOM 1245 N GLY A 86 -3.271 17.570 1.928 1.00 0.00 N ATOM 1246 CA GLY A 86 -2.018 17.966 1.224 1.00 0.00 C ATOM 1247 C GLY A 86 -0.809 17.385 1.960 1.00 0.00 C ATOM 1248 O GLY A 86 0.297 17.872 1.837 1.00 0.00 O ATOM 0 H GLY A 86 -3.775 16.786 1.512 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.038 17.606 0.195 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.942 19.052 1.180 1.00 0.00 H new ATOM 1252 N ASN A 87 -1.008 16.345 2.726 1.00 0.00 N ATOM 1253 CA ASN A 87 0.134 15.738 3.466 1.00 0.00 C ATOM 1254 C ASN A 87 -0.274 14.363 3.996 1.00 0.00 C ATOM 1255 O ASN A 87 -0.227 14.103 5.182 1.00 0.00 O ATOM 1256 CB ASN A 87 0.524 16.642 4.638 1.00 0.00 C ATOM 1257 CG ASN A 87 -0.704 16.895 5.516 1.00 0.00 C ATOM 1258 OD1 ASN A 87 -1.031 16.093 6.368 1.00 0.00 O ATOM 1259 ND2 ASN A 87 -1.402 17.985 5.345 1.00 0.00 N ATOM 0 H ASN A 87 -1.910 15.891 2.870 1.00 0.00 H new ATOM 0 HA ASN A 87 0.985 15.630 2.793 1.00 0.00 H new ATOM 0 HB2 ASN A 87 1.314 16.174 5.225 1.00 0.00 H new ATOM 0 HB3 ASN A 87 0.920 17.587 4.266 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.221 18.163 5.926 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.128 18.659 4.630 1.00 0.00 H new ATOM 1266 N LEU A 88 -0.672 13.478 3.124 1.00 0.00 N ATOM 1267 CA LEU A 88 -1.082 12.116 3.575 1.00 0.00 C ATOM 1268 C LEU A 88 0.029 11.505 4.430 1.00 0.00 C ATOM 1269 O LEU A 88 1.124 11.267 3.965 1.00 0.00 O ATOM 1270 CB LEU A 88 -1.333 11.229 2.355 1.00 0.00 C ATOM 1271 CG LEU A 88 -2.414 10.201 2.690 1.00 0.00 C ATOM 1272 CD1 LEU A 88 -3.400 10.098 1.526 1.00 0.00 C ATOM 1273 CD2 LEU A 88 -1.765 8.835 2.928 1.00 0.00 C ATOM 0 H LEU A 88 -0.731 13.638 2.118 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.995 12.189 4.165 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.645 11.838 1.507 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.412 10.723 2.063 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.944 10.514 3.590 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.170 9.365 1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.864 11.069 1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.870 9.786 0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.536 8.102 3.167 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.234 8.523 2.029 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.062 8.906 3.758 1.00 0.00 H new ATOM 1285 N ASN A 89 -0.243 11.251 5.676 1.00 0.00 N ATOM 1286 CA ASN A 89 0.799 10.658 6.556 1.00 0.00 C ATOM 1287 C ASN A 89 0.125 10.014 7.769 1.00 0.00 C ATOM 1288 O ASN A 89 0.107 10.573 8.848 1.00 0.00 O ATOM 1289 CB ASN A 89 1.759 11.760 7.021 1.00 0.00 C ATOM 1290 CG ASN A 89 2.763 11.190 8.028 1.00 0.00 C ATOM 1291 OD1 ASN A 89 3.220 11.890 8.909 1.00 0.00 O ATOM 1292 ND2 ASN A 89 3.127 9.939 7.936 1.00 0.00 N ATOM 0 H ASN A 89 -1.142 11.428 6.124 1.00 0.00 H new ATOM 0 HA ASN A 89 1.359 9.901 6.008 1.00 0.00 H new ATOM 0 HB2 ASN A 89 2.288 12.178 6.165 1.00 0.00 H new ATOM 0 HB3 ASN A 89 1.197 12.575 7.477 1.00 0.00 H new ATOM 0 HD21 ASN A 89 3.794 9.552 8.603 1.00 0.00 H new ATOM 0 HD22 ASN A 89 2.744 9.350 7.197 1.00 0.00 H new ATOM 1299 N THR A 90 -0.431 8.846 7.604 1.00 0.00 N ATOM 1300 CA THR A 90 -1.100 8.183 8.760 1.00 0.00 C ATOM 1301 C THR A 90 -0.722 6.703 8.792 1.00 0.00 C ATOM 1302 O THR A 90 -0.386 6.121 7.787 1.00 0.00 O ATOM 1303 CB THR A 90 -2.621 8.320 8.623 1.00 0.00 C ATOM 1304 OG1 THR A 90 -3.249 7.732 9.755 1.00 0.00 O ATOM 1305 CG2 THR A 90 -3.091 7.610 7.353 1.00 0.00 C ATOM 0 H THR A 90 -0.452 8.325 6.727 1.00 0.00 H new ATOM 0 HA THR A 90 -0.776 8.660 9.685 1.00 0.00 H new ATOM 0 HB THR A 90 -2.886 9.376 8.563 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.093 8.195 9.938 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.172 7.710 7.259 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.609 8.060 6.485 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.827 6.554 7.408 1.00 0.00 H new ATOM 1313 N MET A 91 -0.777 6.089 9.940 1.00 0.00 N ATOM 1314 CA MET A 91 -0.427 4.643 10.029 1.00 0.00 C ATOM 1315 C MET A 91 -1.369 3.966 11.020 1.00 0.00 C ATOM 1316 O MET A 91 -2.023 4.619 11.810 1.00 0.00 O ATOM 1317 CB MET A 91 1.019 4.491 10.507 1.00 0.00 C ATOM 1318 CG MET A 91 1.194 5.210 11.849 1.00 0.00 C ATOM 1319 SD MET A 91 2.387 6.561 11.669 1.00 0.00 S ATOM 1320 CE MET A 91 3.364 6.196 13.147 1.00 0.00 C ATOM 0 H MET A 91 -1.049 6.525 10.821 1.00 0.00 H new ATOM 0 HA MET A 91 -0.528 4.179 9.048 1.00 0.00 H new ATOM 0 HB2 MET A 91 1.269 3.435 10.613 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.703 4.908 9.768 1.00 0.00 H new ATOM 0 HG2 MET A 91 0.236 5.602 12.190 1.00 0.00 H new ATOM 0 HG3 MET A 91 1.539 4.507 12.607 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.173 6.921 13.236 1.00 0.00 H new ATOM 0 HE2 MET A 91 2.726 6.254 14.029 1.00 0.00 H new ATOM 0 HE3 MET A 91 3.783 5.193 13.068 1.00 0.00 H new ATOM 1330 N PHE A 92 -1.452 2.666 10.988 1.00 0.00 N ATOM 1331 CA PHE A 92 -2.368 1.970 11.937 1.00 0.00 C ATOM 1332 C PHE A 92 -2.214 0.460 11.799 1.00 0.00 C ATOM 1333 O PHE A 92 -1.890 -0.043 10.751 1.00 0.00 O ATOM 1334 CB PHE A 92 -3.813 2.357 11.627 1.00 0.00 C ATOM 1335 CG PHE A 92 -4.084 2.182 10.151 1.00 0.00 C ATOM 1336 CD1 PHE A 92 -4.173 0.898 9.598 1.00 0.00 C ATOM 1337 CD2 PHE A 92 -4.259 3.305 9.337 1.00 0.00 C ATOM 1338 CE1 PHE A 92 -4.433 0.741 8.234 1.00 0.00 C ATOM 1339 CE2 PHE A 92 -4.519 3.148 7.972 1.00 0.00 C ATOM 1340 CZ PHE A 92 -4.607 1.864 7.422 1.00 0.00 C ATOM 0 H PHE A 92 -0.932 2.059 10.354 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.116 2.266 12.955 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.497 1.738 12.208 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.993 3.392 11.919 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.041 0.029 10.226 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.193 4.295 9.763 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.499 -0.249 7.808 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.652 4.016 7.343 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.810 1.741 6.368 1.00 0.00 H new ATOM 1350 N GLU A 93 -2.461 -0.269 12.849 1.00 0.00 N ATOM 1351 CA GLU A 93 -2.341 -1.750 12.767 1.00 0.00 C ATOM 1352 C GLU A 93 -3.622 -2.310 12.154 1.00 0.00 C ATOM 1353 O GLU A 93 -4.682 -2.240 12.742 1.00 0.00 O ATOM 1354 CB GLU A 93 -2.144 -2.330 14.169 1.00 0.00 C ATOM 1355 CG GLU A 93 -3.331 -1.940 15.053 1.00 0.00 C ATOM 1356 CD GLU A 93 -2.820 -1.464 16.414 1.00 0.00 C ATOM 1357 OE1 GLU A 93 -2.158 -0.440 16.453 1.00 0.00 O ATOM 1358 OE2 GLU A 93 -3.099 -2.134 17.396 1.00 0.00 O ATOM 0 H GLU A 93 -2.741 0.096 13.760 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.484 -2.020 12.150 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.057 -3.415 14.116 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -1.216 -1.956 14.602 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.911 -1.151 14.574 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.998 -2.792 15.181 1.00 0.00 H new ATOM 1365 N TYR A 94 -3.541 -2.851 10.971 1.00 0.00 N ATOM 1366 CA TYR A 94 -4.764 -3.393 10.325 1.00 0.00 C ATOM 1367 C TYR A 94 -4.664 -4.912 10.210 1.00 0.00 C ATOM 1368 O TYR A 94 -3.691 -5.518 10.614 1.00 0.00 O ATOM 1369 CB TYR A 94 -4.909 -2.787 8.929 1.00 0.00 C ATOM 1370 CG TYR A 94 -6.336 -2.354 8.714 1.00 0.00 C ATOM 1371 CD1 TYR A 94 -6.891 -1.346 9.512 1.00 0.00 C ATOM 1372 CD2 TYR A 94 -7.107 -2.960 7.717 1.00 0.00 C ATOM 1373 CE1 TYR A 94 -8.217 -0.945 9.311 1.00 0.00 C ATOM 1374 CE2 TYR A 94 -8.432 -2.559 7.515 1.00 0.00 C ATOM 1375 CZ TYR A 94 -8.988 -1.551 8.312 1.00 0.00 C ATOM 1376 OH TYR A 94 -10.295 -1.157 8.114 1.00 0.00 O ATOM 0 H TYR A 94 -2.683 -2.940 10.426 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.633 -3.137 10.931 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.239 -1.934 8.820 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.622 -3.517 8.172 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.296 -0.878 10.282 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.679 -3.738 7.102 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.645 -0.168 9.927 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -9.026 -3.027 6.744 1.00 0.00 H new ATOM 0 HH TYR A 94 -10.568 -1.377 7.199 1.00 0.00 H new ATOM 1386 N THR A 95 -5.668 -5.527 9.653 1.00 0.00 N ATOM 1387 CA THR A 95 -5.650 -7.004 9.490 1.00 0.00 C ATOM 1388 C THR A 95 -6.407 -7.366 8.215 1.00 0.00 C ATOM 1389 O THR A 95 -7.617 -7.269 8.149 1.00 0.00 O ATOM 1390 CB THR A 95 -6.328 -7.667 10.691 1.00 0.00 C ATOM 1391 OG1 THR A 95 -5.669 -7.268 11.886 1.00 0.00 O ATOM 1392 CG2 THR A 95 -6.243 -9.186 10.540 1.00 0.00 C ATOM 0 H THR A 95 -6.507 -5.065 9.301 1.00 0.00 H new ATOM 0 HA THR A 95 -4.620 -7.354 9.426 1.00 0.00 H new ATOM 0 HB THR A 95 -7.374 -7.363 10.738 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.103 -7.691 12.656 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.725 -9.664 11.393 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.747 -9.489 9.622 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.197 -9.489 10.497 1.00 0.00 H new ATOM 1400 N PHE A 96 -5.704 -7.770 7.199 1.00 0.00 N ATOM 1401 CA PHE A 96 -6.386 -8.126 5.922 1.00 0.00 C ATOM 1402 C PHE A 96 -6.883 -9.569 5.988 1.00 0.00 C ATOM 1403 O PHE A 96 -6.170 -10.496 5.662 1.00 0.00 O ATOM 1404 CB PHE A 96 -5.406 -7.980 4.753 1.00 0.00 C ATOM 1405 CG PHE A 96 -4.847 -6.570 4.695 1.00 0.00 C ATOM 1406 CD1 PHE A 96 -5.591 -5.482 5.182 1.00 0.00 C ATOM 1407 CD2 PHE A 96 -3.578 -6.352 4.144 1.00 0.00 C ATOM 1408 CE1 PHE A 96 -5.065 -4.188 5.118 1.00 0.00 C ATOM 1409 CE2 PHE A 96 -3.054 -5.057 4.081 1.00 0.00 C ATOM 1410 CZ PHE A 96 -3.796 -3.974 4.567 1.00 0.00 C ATOM 0 H PHE A 96 -4.689 -7.870 7.194 1.00 0.00 H new ATOM 0 HA PHE A 96 -7.233 -7.456 5.772 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -4.591 -8.695 4.864 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -5.912 -8.215 3.816 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -6.571 -5.645 5.606 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -3.003 -7.185 3.767 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.638 -3.353 5.494 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.075 -4.892 3.656 1.00 0.00 H new ATOM 0 HZ PHE A 96 -3.390 -2.975 4.517 1.00 0.00 H new ATOM 1420 N ASP A 97 -8.104 -9.767 6.401 1.00 0.00 N ATOM 1421 CA ASP A 97 -8.640 -11.152 6.476 1.00 0.00 C ATOM 1422 C ASP A 97 -9.664 -11.359 5.362 1.00 0.00 C ATOM 1423 O ASP A 97 -10.532 -12.205 5.452 1.00 0.00 O ATOM 1424 CB ASP A 97 -9.295 -11.383 7.843 1.00 0.00 C ATOM 1425 CG ASP A 97 -10.519 -10.476 7.994 1.00 0.00 C ATOM 1426 OD1 ASP A 97 -11.522 -10.760 7.360 1.00 0.00 O ATOM 1427 OD2 ASP A 97 -10.434 -9.518 8.744 1.00 0.00 O ATOM 0 H ASP A 97 -8.750 -9.032 6.688 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.825 -11.865 6.353 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -9.591 -12.427 7.942 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -8.579 -11.177 8.639 1.00 0.00 H new ATOM 1432 N TYR A 98 -9.555 -10.612 4.299 1.00 0.00 N ATOM 1433 CA TYR A 98 -10.508 -10.791 3.173 1.00 0.00 C ATOM 1434 C TYR A 98 -10.046 -12.023 2.392 1.00 0.00 C ATOM 1435 O TYR A 98 -8.884 -12.347 2.447 1.00 0.00 O ATOM 1436 CB TYR A 98 -10.496 -9.525 2.279 1.00 0.00 C ATOM 1437 CG TYR A 98 -9.468 -9.651 1.169 1.00 0.00 C ATOM 1438 CD1 TYR A 98 -8.148 -10.004 1.473 1.00 0.00 C ATOM 1439 CD2 TYR A 98 -9.846 -9.432 -0.158 1.00 0.00 C ATOM 1440 CE1 TYR A 98 -7.204 -10.140 0.448 1.00 0.00 C ATOM 1441 CE2 TYR A 98 -8.903 -9.565 -1.186 1.00 0.00 C ATOM 1442 CZ TYR A 98 -7.582 -9.920 -0.883 1.00 0.00 C ATOM 1443 OH TYR A 98 -6.652 -10.050 -1.895 1.00 0.00 O ATOM 0 H TYR A 98 -8.849 -9.888 4.163 1.00 0.00 H new ATOM 0 HA TYR A 98 -11.529 -10.933 3.527 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -11.485 -9.371 1.847 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.274 -8.648 2.887 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -7.857 -10.172 2.500 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.865 -9.160 -0.392 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -6.186 -10.414 0.683 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -9.195 -9.394 -2.212 1.00 0.00 H new ATOM 0 HH TYR A 98 -5.784 -10.298 -1.512 1.00 0.00 H new ATOM 1453 N GLN A 99 -10.949 -12.681 1.678 1.00 0.00 N ATOM 1454 CA GLN A 99 -10.623 -13.920 0.855 1.00 0.00 C ATOM 1455 C GLN A 99 -9.139 -14.301 0.948 1.00 0.00 C ATOM 1456 O GLN A 99 -8.396 -14.208 -0.009 1.00 0.00 O ATOM 1457 CB GLN A 99 -10.985 -13.653 -0.607 1.00 0.00 C ATOM 1458 CG GLN A 99 -12.425 -13.143 -0.687 1.00 0.00 C ATOM 1459 CD GLN A 99 -13.025 -13.508 -2.045 1.00 0.00 C ATOM 1460 OE1 GLN A 99 -12.331 -13.989 -2.920 1.00 0.00 O ATOM 1461 NE2 GLN A 99 -14.296 -13.299 -2.261 1.00 0.00 N ATOM 0 H GLN A 99 -11.929 -12.404 1.629 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.203 -14.752 1.254 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -10.303 -12.918 -1.034 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -10.877 -14.566 -1.193 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -13.021 -13.580 0.114 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -12.447 -12.062 -0.547 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -14.878 -12.896 -1.527 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -14.706 -13.539 -3.163 1.00 0.00 H new ATOM 1470 N MET A 100 -8.707 -14.690 2.115 1.00 0.00 N ATOM 1471 CA MET A 100 -7.274 -15.033 2.312 1.00 0.00 C ATOM 1472 C MET A 100 -7.026 -15.298 3.798 1.00 0.00 C ATOM 1473 O MET A 100 -7.765 -14.844 4.650 1.00 0.00 O ATOM 1474 CB MET A 100 -6.405 -13.844 1.872 1.00 0.00 C ATOM 1475 CG MET A 100 -5.318 -14.333 0.910 1.00 0.00 C ATOM 1476 SD MET A 100 -3.892 -14.921 1.859 1.00 0.00 S ATOM 1477 CE MET A 100 -3.509 -13.356 2.681 1.00 0.00 C ATOM 0 H MET A 100 -9.291 -14.785 2.946 1.00 0.00 H new ATOM 0 HA MET A 100 -7.023 -15.916 1.725 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.023 -13.089 1.386 1.00 0.00 H new ATOM 0 HB3 MET A 100 -5.949 -13.371 2.742 1.00 0.00 H new ATOM 0 HG2 MET A 100 -5.707 -15.135 0.283 1.00 0.00 H new ATOM 0 HG3 MET A 100 -5.017 -13.525 0.244 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.431 -13.269 2.813 1.00 0.00 H new ATOM 0 HE2 MET A 100 -3.868 -12.527 2.071 1.00 0.00 H new ATOM 0 HE3 MET A 100 -3.998 -13.327 3.655 1.00 0.00 H new ATOM 1487 N THR A 101 -5.984 -16.013 4.121 1.00 0.00 N ATOM 1488 CA THR A 101 -5.682 -16.287 5.555 1.00 0.00 C ATOM 1489 C THR A 101 -5.622 -14.954 6.320 1.00 0.00 C ATOM 1490 O THR A 101 -5.598 -13.905 5.707 1.00 0.00 O ATOM 1491 CB THR A 101 -4.328 -16.999 5.657 1.00 0.00 C ATOM 1492 OG1 THR A 101 -3.550 -16.704 4.506 1.00 0.00 O ATOM 1493 CG2 THR A 101 -4.549 -18.509 5.751 1.00 0.00 C ATOM 0 H THR A 101 -5.328 -16.420 3.454 1.00 0.00 H new ATOM 0 HA THR A 101 -6.459 -16.920 5.985 1.00 0.00 H new ATOM 0 HB THR A 101 -3.804 -16.654 6.548 1.00 0.00 H new ATOM 0 HG1 THR A 101 -2.684 -17.158 4.572 1.00 0.00 H new ATOM 0 HG21 THR A 101 -3.586 -19.014 5.823 1.00 0.00 H new ATOM 0 HG22 THR A 101 -5.145 -18.735 6.635 1.00 0.00 H new ATOM 0 HG23 THR A 101 -5.074 -18.856 4.861 1.00 0.00 H new ATOM 1501 N PRO A 102 -5.598 -15.022 7.634 1.00 0.00 N ATOM 1502 CA PRO A 102 -5.541 -13.811 8.475 1.00 0.00 C ATOM 1503 C PRO A 102 -4.133 -13.207 8.438 1.00 0.00 C ATOM 1504 O PRO A 102 -3.180 -13.795 8.911 1.00 0.00 O ATOM 1505 CB PRO A 102 -5.896 -14.321 9.875 1.00 0.00 C ATOM 1506 CG PRO A 102 -5.596 -15.837 9.877 1.00 0.00 C ATOM 1507 CD PRO A 102 -5.622 -16.289 8.404 1.00 0.00 C ATOM 0 HA PRO A 102 -6.215 -13.021 8.142 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.308 -13.808 10.636 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.945 -14.133 10.102 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.625 -16.040 10.328 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.339 -16.379 10.462 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.764 -16.917 8.165 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -6.515 -16.873 8.182 1.00 0.00 H new ATOM 1515 N THR A 103 -3.997 -12.040 7.868 1.00 0.00 N ATOM 1516 CA THR A 103 -2.654 -11.399 7.784 1.00 0.00 C ATOM 1517 C THR A 103 -2.648 -10.096 8.591 1.00 0.00 C ATOM 1518 O THR A 103 -3.308 -9.139 8.245 1.00 0.00 O ATOM 1519 CB THR A 103 -2.331 -11.105 6.305 1.00 0.00 C ATOM 1520 OG1 THR A 103 -1.971 -12.318 5.657 1.00 0.00 O ATOM 1521 CG2 THR A 103 -1.170 -10.105 6.186 1.00 0.00 C ATOM 0 H THR A 103 -4.760 -11.502 7.456 1.00 0.00 H new ATOM 0 HA THR A 103 -1.900 -12.069 8.197 1.00 0.00 H new ATOM 0 HB THR A 103 -3.213 -10.671 5.835 1.00 0.00 H new ATOM 0 HG1 THR A 103 -1.132 -12.191 5.168 1.00 0.00 H new ATOM 0 HG21 THR A 103 -0.961 -9.914 5.133 1.00 0.00 H new ATOM 0 HG22 THR A 103 -1.442 -9.171 6.677 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.282 -10.520 6.663 1.00 0.00 H new ATOM 1529 N LYS A 104 -1.875 -10.039 9.637 1.00 0.00 N ATOM 1530 CA LYS A 104 -1.795 -8.782 10.429 1.00 0.00 C ATOM 1531 C LYS A 104 -0.644 -7.964 9.872 1.00 0.00 C ATOM 1532 O LYS A 104 0.403 -8.500 9.592 1.00 0.00 O ATOM 1533 CB LYS A 104 -1.499 -9.095 11.896 1.00 0.00 C ATOM 1534 CG LYS A 104 -1.947 -7.918 12.765 1.00 0.00 C ATOM 1535 CD LYS A 104 -2.920 -8.410 13.839 1.00 0.00 C ATOM 1536 CE LYS A 104 -3.144 -7.299 14.868 1.00 0.00 C ATOM 1537 NZ LYS A 104 -4.306 -7.648 15.733 1.00 0.00 N ATOM 0 H LYS A 104 -1.296 -10.807 9.978 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.741 -8.244 10.366 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.020 -10.004 12.198 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -0.433 -9.278 12.033 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.081 -7.449 13.232 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.426 -7.159 12.147 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -3.868 -8.696 13.383 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.521 -9.299 14.328 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -2.250 -7.168 15.478 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -3.326 -6.351 14.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.458 -6.893 16.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -5.158 -7.752 15.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -4.115 -8.543 16.227 1.00 0.00 H new ATOM 1551 N VAL A 105 -0.818 -6.687 9.702 1.00 0.00 N ATOM 1552 CA VAL A 105 0.292 -5.860 9.150 1.00 0.00 C ATOM 1553 C VAL A 105 0.245 -4.451 9.744 1.00 0.00 C ATOM 1554 O VAL A 105 -0.817 -3.893 9.939 1.00 0.00 O ATOM 1555 CB VAL A 105 0.115 -5.711 7.636 1.00 0.00 C ATOM 1556 CG1 VAL A 105 0.121 -7.084 6.959 1.00 0.00 C ATOM 1557 CG2 VAL A 105 -1.217 -5.006 7.335 1.00 0.00 C ATOM 0 H VAL A 105 -1.675 -6.179 9.919 1.00 0.00 H new ATOM 0 HA VAL A 105 1.235 -6.350 9.393 1.00 0.00 H new ATOM 0 HB VAL A 105 0.943 -5.118 7.248 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.006 -6.960 5.884 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.069 -7.583 7.157 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.696 -7.688 7.353 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.338 -4.902 6.257 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.040 -5.596 7.738 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.219 -4.019 7.797 1.00 0.00 H new ATOM 1567 N LYS A 106 1.374 -3.835 9.946 1.00 0.00 N ATOM 1568 CA LYS A 106 1.352 -2.426 10.422 1.00 0.00 C ATOM 1569 C LYS A 106 1.383 -1.595 9.145 1.00 0.00 C ATOM 1570 O LYS A 106 2.288 -1.706 8.359 1.00 0.00 O ATOM 1571 CB LYS A 106 2.557 -2.110 11.325 1.00 0.00 C ATOM 1572 CG LYS A 106 3.857 -2.578 10.672 1.00 0.00 C ATOM 1573 CD LYS A 106 4.292 -3.905 11.298 1.00 0.00 C ATOM 1574 CE LYS A 106 4.842 -3.647 12.702 1.00 0.00 C ATOM 1575 NZ LYS A 106 5.991 -2.702 12.617 1.00 0.00 N ATOM 0 H LYS A 106 2.300 -4.239 9.805 1.00 0.00 H new ATOM 0 HA LYS A 106 0.475 -2.215 11.034 1.00 0.00 H new ATOM 0 HB2 LYS A 106 2.605 -1.038 11.515 1.00 0.00 H new ATOM 0 HB3 LYS A 106 2.432 -2.599 12.291 1.00 0.00 H new ATOM 0 HG2 LYS A 106 3.714 -2.699 9.598 1.00 0.00 H new ATOM 0 HG3 LYS A 106 4.635 -1.827 10.807 1.00 0.00 H new ATOM 0 HD2 LYS A 106 3.447 -4.591 11.347 1.00 0.00 H new ATOM 0 HD3 LYS A 106 5.053 -4.380 10.679 1.00 0.00 H new ATOM 0 HE2 LYS A 106 4.062 -3.232 13.340 1.00 0.00 H new ATOM 0 HE3 LYS A 106 5.161 -4.584 13.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 6.651 -2.887 13.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 6.483 -2.834 11.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 5.642 -1.724 12.682 1.00 0.00 H new ATOM 1589 N VAL A 107 0.361 -0.841 8.879 1.00 0.00 N ATOM 1590 CA VAL A 107 0.310 -0.092 7.583 1.00 0.00 C ATOM 1591 C VAL A 107 0.985 1.278 7.699 1.00 0.00 C ATOM 1592 O VAL A 107 1.145 1.827 8.773 1.00 0.00 O ATOM 1593 CB VAL A 107 -1.188 0.095 7.131 1.00 0.00 C ATOM 1594 CG1 VAL A 107 -2.090 -0.944 7.799 1.00 0.00 C ATOM 1595 CG2 VAL A 107 -1.731 1.506 7.456 1.00 0.00 C ATOM 0 H VAL A 107 -0.442 -0.706 9.494 1.00 0.00 H new ATOM 0 HA VAL A 107 0.851 -0.676 6.839 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.199 -0.038 6.049 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.119 -0.796 7.472 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.761 -1.945 7.519 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.033 -0.833 8.882 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.766 1.583 7.124 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.681 1.676 8.531 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.129 2.255 6.942 1.00 0.00 H new ATOM 1605 N HIS A 108 1.278 1.864 6.565 1.00 0.00 N ATOM 1606 CA HIS A 108 1.840 3.245 6.547 1.00 0.00 C ATOM 1607 C HIS A 108 1.412 3.921 5.241 1.00 0.00 C ATOM 1608 O HIS A 108 2.001 3.712 4.210 1.00 0.00 O ATOM 1609 CB HIS A 108 3.366 3.232 6.625 1.00 0.00 C ATOM 1610 CG HIS A 108 3.843 4.660 6.616 1.00 0.00 C ATOM 1611 ND1 HIS A 108 5.137 5.014 6.281 1.00 0.00 N ATOM 1612 CD2 HIS A 108 3.188 5.837 6.881 1.00 0.00 C ATOM 1613 CE1 HIS A 108 5.223 6.355 6.352 1.00 0.00 C ATOM 1614 NE2 HIS A 108 4.062 6.907 6.716 1.00 0.00 N ATOM 0 H HIS A 108 1.150 1.440 5.646 1.00 0.00 H new ATOM 0 HA HIS A 108 1.464 3.787 7.415 1.00 0.00 H new ATOM 0 HB2 HIS A 108 3.697 2.725 7.531 1.00 0.00 H new ATOM 0 HB3 HIS A 108 3.786 2.684 5.782 1.00 0.00 H new ATOM 0 HD1 HIS A 108 5.890 4.375 6.026 1.00 0.00 H new ATOM 0 HD2 HIS A 108 2.152 5.920 7.173 1.00 0.00 H new ATOM 0 HE1 HIS A 108 6.121 6.917 6.141 1.00 0.00 H new ATOM 1622 N MET A 109 0.389 4.724 5.270 1.00 0.00 N ATOM 1623 CA MET A 109 -0.066 5.389 4.014 1.00 0.00 C ATOM 1624 C MET A 109 0.524 6.794 3.939 1.00 0.00 C ATOM 1625 O MET A 109 0.349 7.577 4.853 1.00 0.00 O ATOM 1626 CB MET A 109 -1.598 5.494 4.019 1.00 0.00 C ATOM 1627 CG MET A 109 -2.210 4.206 4.581 1.00 0.00 C ATOM 1628 SD MET A 109 -3.945 4.089 4.079 1.00 0.00 S ATOM 1629 CE MET A 109 -4.606 5.301 5.250 1.00 0.00 C ATOM 0 H MET A 109 -0.152 4.950 6.104 1.00 0.00 H new ATOM 0 HA MET A 109 0.264 4.803 3.156 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.910 6.347 4.621 1.00 0.00 H new ATOM 0 HB3 MET A 109 -1.962 5.668 3.006 1.00 0.00 H new ATOM 0 HG2 MET A 109 -1.657 3.340 4.218 1.00 0.00 H new ATOM 0 HG3 MET A 109 -2.134 4.200 5.668 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.482 4.885 5.748 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.846 5.541 5.993 1.00 0.00 H new ATOM 0 HE3 MET A 109 -4.889 6.207 4.715 1.00 0.00 H new ATOM 1639 N LYS A 110 1.217 7.151 2.874 1.00 0.00 N ATOM 1640 CA LYS A 110 1.769 8.538 2.843 1.00 0.00 C ATOM 1641 C LYS A 110 1.451 9.188 1.501 1.00 0.00 C ATOM 1642 O LYS A 110 0.963 8.551 0.597 1.00 0.00 O ATOM 1643 CB LYS A 110 3.281 8.498 3.055 1.00 0.00 C ATOM 1644 CG LYS A 110 3.680 9.560 4.083 1.00 0.00 C ATOM 1645 CD LYS A 110 5.198 9.544 4.272 1.00 0.00 C ATOM 1646 CE LYS A 110 5.555 10.207 5.605 1.00 0.00 C ATOM 1647 NZ LYS A 110 6.810 9.604 6.136 1.00 0.00 N ATOM 0 H LYS A 110 1.414 6.566 2.062 1.00 0.00 H new ATOM 0 HA LYS A 110 1.313 9.124 3.641 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.585 7.510 3.401 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.796 8.678 2.111 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.355 10.545 3.748 1.00 0.00 H new ATOM 0 HG3 LYS A 110 3.183 9.366 5.033 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.566 8.518 4.254 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.683 10.071 3.450 1.00 0.00 H new ATOM 0 HE2 LYS A 110 5.684 11.280 5.467 1.00 0.00 H new ATOM 0 HE3 LYS A 110 4.743 10.073 6.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.316 10.306 6.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.577 8.778 6.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.414 9.306 5.344 1.00 0.00 H new ATOM 1661 N LYS A 111 1.722 10.455 1.359 1.00 0.00 N ATOM 1662 CA LYS A 111 1.431 11.122 0.066 1.00 0.00 C ATOM 1663 C LYS A 111 2.666 11.008 -0.823 1.00 0.00 C ATOM 1664 O LYS A 111 3.676 11.644 -0.594 1.00 0.00 O ATOM 1665 CB LYS A 111 1.063 12.593 0.308 1.00 0.00 C ATOM 1666 CG LYS A 111 1.025 13.356 -1.021 1.00 0.00 C ATOM 1667 CD LYS A 111 -0.354 13.988 -1.210 1.00 0.00 C ATOM 1668 CE LYS A 111 -0.190 15.440 -1.658 1.00 0.00 C ATOM 1669 NZ LYS A 111 0.367 15.473 -3.040 1.00 0.00 N ATOM 0 H LYS A 111 2.130 11.052 2.079 1.00 0.00 H new ATOM 0 HA LYS A 111 0.585 10.643 -0.427 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.092 12.656 0.800 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.790 13.052 0.978 1.00 0.00 H new ATOM 0 HG2 LYS A 111 1.794 14.128 -1.031 1.00 0.00 H new ATOM 0 HG3 LYS A 111 1.242 12.679 -1.847 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -0.924 13.429 -1.952 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -0.917 13.945 -0.278 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -1.152 15.951 -1.630 1.00 0.00 H new ATOM 0 HE3 LYS A 111 0.473 15.970 -0.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 0.384 16.454 -3.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 1.334 15.092 -3.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -0.228 14.896 -3.668 1.00 0.00 H new ATOM 1683 N ALA A 112 2.585 10.184 -1.824 1.00 0.00 N ATOM 1684 CA ALA A 112 3.734 9.991 -2.742 1.00 0.00 C ATOM 1685 C ALA A 112 4.226 11.344 -3.263 1.00 0.00 C ATOM 1686 O ALA A 112 3.736 12.385 -2.875 1.00 0.00 O ATOM 1687 CB ALA A 112 3.280 9.110 -3.897 1.00 0.00 C ATOM 0 H ALA A 112 1.760 9.628 -2.048 1.00 0.00 H new ATOM 0 HA ALA A 112 4.560 9.513 -2.214 1.00 0.00 H new ATOM 0 HB1 ALA A 112 4.111 8.955 -4.585 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.945 8.148 -3.511 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.458 9.595 -4.424 1.00 0.00 H new ATOM 1693 N LEU A 113 5.201 11.341 -4.130 1.00 0.00 N ATOM 1694 CA LEU A 113 5.731 12.632 -4.650 1.00 0.00 C ATOM 1695 C LEU A 113 5.616 12.682 -6.173 1.00 0.00 C ATOM 1696 O LEU A 113 6.569 12.443 -6.888 1.00 0.00 O ATOM 1697 CB LEU A 113 7.200 12.773 -4.247 1.00 0.00 C ATOM 1698 CG LEU A 113 7.383 14.032 -3.398 1.00 0.00 C ATOM 1699 CD1 LEU A 113 8.727 13.963 -2.670 1.00 0.00 C ATOM 1700 CD2 LEU A 113 7.358 15.267 -4.303 1.00 0.00 C ATOM 0 H LEU A 113 5.652 10.504 -4.499 1.00 0.00 H new ATOM 0 HA LEU A 113 5.148 13.450 -4.227 1.00 0.00 H new ATOM 0 HB2 LEU A 113 7.519 11.895 -3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 113 7.827 12.828 -5.137 1.00 0.00 H new ATOM 0 HG LEU A 113 6.575 14.099 -2.669 1.00 0.00 H new ATOM 0 HD11 LEU A 113 8.859 14.860 -2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 113 8.747 13.084 -2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 113 9.533 13.896 -3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 113 7.488 16.164 -3.698 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.166 15.200 -5.032 1.00 0.00 H new ATOM 0 HD23 LEU A 113 6.402 15.317 -4.824 1.00 0.00 H new ATOM 1742 N SER A 117 0.860 9.711 -5.843 1.00 0.00 N ATOM 1743 CA SER A 117 -0.235 10.457 -5.135 1.00 0.00 C ATOM 1744 C SER A 117 -0.486 9.876 -3.735 1.00 0.00 C ATOM 1745 O SER A 117 -0.105 10.464 -2.743 1.00 0.00 O ATOM 1746 CB SER A 117 -1.527 10.410 -5.961 1.00 0.00 C ATOM 1747 OG SER A 117 -2.383 11.469 -5.555 1.00 0.00 O ATOM 0 HA SER A 117 0.082 11.494 -5.022 1.00 0.00 H new ATOM 0 HB2 SER A 117 -1.297 10.500 -7.023 1.00 0.00 H new ATOM 0 HB3 SER A 117 -2.026 9.451 -5.823 1.00 0.00 H new ATOM 0 HG SER A 117 -3.122 11.107 -5.023 1.00 0.00 H new ATOM 1753 N TYR A 118 -1.133 8.745 -3.634 1.00 0.00 N ATOM 1754 CA TYR A 118 -1.407 8.162 -2.283 1.00 0.00 C ATOM 1755 C TYR A 118 -0.913 6.718 -2.249 1.00 0.00 C ATOM 1756 O TYR A 118 -1.325 5.898 -3.046 1.00 0.00 O ATOM 1757 CB TYR A 118 -2.919 8.163 -2.015 1.00 0.00 C ATOM 1758 CG TYR A 118 -3.533 9.443 -2.490 1.00 0.00 C ATOM 1759 CD1 TYR A 118 -3.268 10.648 -1.834 1.00 0.00 C ATOM 1760 CD2 TYR A 118 -4.382 9.411 -3.594 1.00 0.00 C ATOM 1761 CE1 TYR A 118 -3.860 11.827 -2.295 1.00 0.00 C ATOM 1762 CE2 TYR A 118 -4.972 10.580 -4.054 1.00 0.00 C ATOM 1763 CZ TYR A 118 -4.715 11.795 -3.406 1.00 0.00 C ATOM 1764 OH TYR A 118 -5.299 12.959 -3.862 1.00 0.00 O ATOM 0 H TYR A 118 -1.483 8.201 -4.422 1.00 0.00 H new ATOM 0 HA TYR A 118 -0.895 8.757 -1.527 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.385 7.318 -2.523 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -3.106 8.037 -0.949 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.611 10.668 -0.977 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -4.582 8.474 -4.093 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.659 12.763 -1.795 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.629 10.553 -4.911 1.00 0.00 H new ATOM 0 HH TYR A 118 -6.165 12.752 -4.271 1.00 0.00 H new ATOM 1774 N TRP A 119 -0.038 6.388 -1.336 1.00 0.00 N ATOM 1775 CA TRP A 119 0.452 4.989 -1.282 1.00 0.00 C ATOM 1776 C TRP A 119 0.322 4.395 0.113 1.00 0.00 C ATOM 1777 O TRP A 119 0.314 5.087 1.095 1.00 0.00 O ATOM 1778 CB TRP A 119 1.880 4.908 -1.813 1.00 0.00 C ATOM 1779 CG TRP A 119 2.834 5.799 -1.095 1.00 0.00 C ATOM 1780 CD1 TRP A 119 3.383 6.915 -1.591 1.00 0.00 C ATOM 1781 CD2 TRP A 119 3.412 5.608 0.199 1.00 0.00 C ATOM 1782 NE1 TRP A 119 4.279 7.427 -0.666 1.00 0.00 N ATOM 1783 CE2 TRP A 119 4.329 6.641 0.463 1.00 0.00 C ATOM 1784 CE3 TRP A 119 3.213 4.634 1.145 1.00 0.00 C ATOM 1785 CZ2 TRP A 119 5.043 6.687 1.657 1.00 0.00 C ATOM 1786 CZ3 TRP A 119 3.923 4.655 2.353 1.00 0.00 C ATOM 1787 CH2 TRP A 119 4.842 5.683 2.607 1.00 0.00 C ATOM 0 H TRP A 119 0.351 7.020 -0.636 1.00 0.00 H new ATOM 0 HA TRP A 119 -0.181 4.381 -1.929 1.00 0.00 H new ATOM 0 HB2 TRP A 119 2.229 3.878 -1.736 1.00 0.00 H new ATOM 0 HB3 TRP A 119 1.880 5.167 -2.872 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.163 7.347 -2.556 1.00 0.00 H new ATOM 0 HE1 TRP A 119 4.829 8.275 -0.804 1.00 0.00 H new ATOM 0 HE3 TRP A 119 2.502 3.843 0.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 5.743 7.488 1.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.762 3.880 3.088 1.00 0.00 H new ATOM 0 HH2 TRP A 119 5.393 5.699 3.535 1.00 0.00 H new ATOM 1798 N VAL A 120 0.180 3.092 0.183 1.00 0.00 N ATOM 1799 CA VAL A 120 0.015 2.409 1.497 1.00 0.00 C ATOM 1800 C VAL A 120 0.958 1.203 1.573 1.00 0.00 C ATOM 1801 O VAL A 120 0.774 0.213 0.891 1.00 0.00 O ATOM 1802 CB VAL A 120 -1.441 1.935 1.642 1.00 0.00 C ATOM 1803 CG1 VAL A 120 -1.626 1.260 3.002 1.00 0.00 C ATOM 1804 CG2 VAL A 120 -2.373 3.142 1.541 1.00 0.00 C ATOM 0 H VAL A 120 0.172 2.470 -0.625 1.00 0.00 H new ATOM 0 HA VAL A 120 0.256 3.103 2.302 1.00 0.00 H new ATOM 0 HB VAL A 120 -1.675 1.222 0.851 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -2.658 0.924 3.104 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.957 0.403 3.077 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -1.395 1.971 3.795 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -3.407 2.813 1.643 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -2.138 3.851 2.335 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.240 3.625 0.573 1.00 0.00 H new ATOM 1814 N PHE A 121 1.968 1.279 2.399 1.00 0.00 N ATOM 1815 CA PHE A 121 2.919 0.141 2.526 1.00 0.00 C ATOM 1816 C PHE A 121 2.484 -0.738 3.679 1.00 0.00 C ATOM 1817 O PHE A 121 2.345 -0.291 4.797 1.00 0.00 O ATOM 1818 CB PHE A 121 4.341 0.670 2.769 1.00 0.00 C ATOM 1819 CG PHE A 121 4.726 1.651 1.673 1.00 0.00 C ATOM 1820 CD1 PHE A 121 3.973 1.730 0.489 1.00 0.00 C ATOM 1821 CD2 PHE A 121 5.814 2.508 1.861 1.00 0.00 C ATOM 1822 CE1 PHE A 121 4.314 2.651 -0.502 1.00 0.00 C ATOM 1823 CE2 PHE A 121 6.145 3.441 0.871 1.00 0.00 C ATOM 1824 CZ PHE A 121 5.398 3.508 -0.310 1.00 0.00 C ATOM 0 H PHE A 121 2.174 2.083 2.992 1.00 0.00 H new ATOM 0 HA PHE A 121 2.920 -0.442 1.605 1.00 0.00 H new ATOM 0 HB2 PHE A 121 4.394 1.159 3.741 1.00 0.00 H new ATOM 0 HB3 PHE A 121 5.048 -0.160 2.790 1.00 0.00 H new ATOM 0 HD1 PHE A 121 3.127 1.075 0.346 1.00 0.00 H new ATOM 0 HD2 PHE A 121 6.398 2.451 2.768 1.00 0.00 H new ATOM 0 HE1 PHE A 121 3.740 2.700 -1.416 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.979 4.111 1.019 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.661 4.224 -1.074 1.00 0.00 H new ATOM 1834 N VAL A 122 2.238 -1.984 3.412 1.00 0.00 N ATOM 1835 CA VAL A 122 1.784 -2.881 4.493 1.00 0.00 C ATOM 1836 C VAL A 122 2.941 -3.771 4.956 1.00 0.00 C ATOM 1837 O VAL A 122 3.444 -4.598 4.226 1.00 0.00 O ATOM 1838 CB VAL A 122 0.588 -3.708 3.964 1.00 0.00 C ATOM 1839 CG1 VAL A 122 0.619 -5.165 4.456 1.00 0.00 C ATOM 1840 CG2 VAL A 122 -0.706 -3.053 4.444 1.00 0.00 C ATOM 0 H VAL A 122 2.332 -2.417 2.493 1.00 0.00 H new ATOM 0 HA VAL A 122 1.457 -2.309 5.362 1.00 0.00 H new ATOM 0 HB VAL A 122 0.648 -3.726 2.876 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.241 -5.702 4.057 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.536 -5.645 4.115 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.584 -5.182 5.545 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.560 -3.624 4.079 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.721 -3.033 5.534 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -0.761 -2.034 4.062 1.00 0.00 H new ATOM 1850 N LYS A 123 3.321 -3.615 6.186 1.00 0.00 N ATOM 1851 CA LYS A 123 4.422 -4.449 6.759 1.00 0.00 C ATOM 1852 C LYS A 123 3.821 -5.728 7.327 1.00 0.00 C ATOM 1853 O LYS A 123 3.074 -5.692 8.285 1.00 0.00 O ATOM 1854 CB LYS A 123 5.101 -3.684 7.897 1.00 0.00 C ATOM 1855 CG LYS A 123 6.614 -3.926 7.896 1.00 0.00 C ATOM 1856 CD LYS A 123 7.216 -3.569 6.537 1.00 0.00 C ATOM 1857 CE LYS A 123 8.663 -3.098 6.724 1.00 0.00 C ATOM 1858 NZ LYS A 123 9.577 -4.280 6.759 1.00 0.00 N ATOM 0 H LYS A 123 2.915 -2.939 6.833 1.00 0.00 H new ATOM 0 HA LYS A 123 5.150 -4.680 5.982 1.00 0.00 H new ATOM 0 HB2 LYS A 123 4.900 -2.618 7.794 1.00 0.00 H new ATOM 0 HB3 LYS A 123 4.680 -3.997 8.852 1.00 0.00 H new ATOM 0 HG2 LYS A 123 7.084 -3.327 8.676 1.00 0.00 H new ATOM 0 HG3 LYS A 123 6.821 -4.971 8.128 1.00 0.00 H new ATOM 0 HD2 LYS A 123 7.187 -4.435 5.876 1.00 0.00 H new ATOM 0 HD3 LYS A 123 6.626 -2.785 6.061 1.00 0.00 H new ATOM 0 HE2 LYS A 123 8.947 -2.431 5.910 1.00 0.00 H new ATOM 0 HE3 LYS A 123 8.754 -2.529 7.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.141 -4.257 7.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 9.015 -5.155 6.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 10.212 -4.252 5.936 1.00 0.00 H new ATOM 1872 N ARG A 124 4.133 -6.862 6.759 1.00 0.00 N ATOM 1873 CA ARG A 124 3.553 -8.116 7.313 1.00 0.00 C ATOM 1874 C ARG A 124 4.154 -8.359 8.702 1.00 0.00 C ATOM 1875 O ARG A 124 5.328 -8.639 8.846 1.00 0.00 O ATOM 1876 CB ARG A 124 3.854 -9.293 6.368 1.00 0.00 C ATOM 1877 CG ARG A 124 3.483 -10.620 7.038 1.00 0.00 C ATOM 1878 CD ARG A 124 2.931 -11.586 5.988 1.00 0.00 C ATOM 1879 NE ARG A 124 3.934 -12.658 5.722 1.00 0.00 N ATOM 1880 CZ ARG A 124 3.837 -13.812 6.326 1.00 0.00 C ATOM 1881 NH1 ARG A 124 2.671 -14.383 6.470 1.00 0.00 N ATOM 1882 NH2 ARG A 124 4.910 -14.399 6.785 1.00 0.00 N ATOM 0 H ARG A 124 4.750 -6.973 5.954 1.00 0.00 H new ATOM 0 HA ARG A 124 2.470 -8.026 7.402 1.00 0.00 H new ATOM 0 HB2 ARG A 124 3.293 -9.177 5.441 1.00 0.00 H new ATOM 0 HB3 ARG A 124 4.911 -9.294 6.103 1.00 0.00 H new ATOM 0 HG2 ARG A 124 4.359 -11.053 7.521 1.00 0.00 H new ATOM 0 HG3 ARG A 124 2.740 -10.451 7.818 1.00 0.00 H new ATOM 0 HD2 ARG A 124 1.997 -12.026 6.338 1.00 0.00 H new ATOM 0 HD3 ARG A 124 2.705 -11.048 5.067 1.00 0.00 H new ATOM 0 HE ARG A 124 4.697 -12.489 5.067 1.00 0.00 H new ATOM 0 HH11 ARG A 124 1.832 -13.928 6.110 1.00 0.00 H new ATOM 0 HH12 ARG A 124 2.599 -15.284 6.942 1.00 0.00 H new ATOM 0 HH21 ARG A 124 5.822 -13.956 6.671 1.00 0.00 H new ATOM 0 HH22 ARG A 124 4.836 -15.300 7.257 1.00 0.00 H new ATOM 1896 N VAL A 125 3.349 -8.241 9.724 1.00 0.00 N ATOM 1897 CA VAL A 125 3.854 -8.447 11.112 1.00 0.00 C ATOM 1898 C VAL A 125 3.939 -9.948 11.395 1.00 0.00 C ATOM 1899 O VAL A 125 3.722 -10.718 10.474 1.00 0.00 O ATOM 1900 CB VAL A 125 2.910 -7.787 12.141 1.00 0.00 C ATOM 1901 CG1 VAL A 125 3.737 -7.214 13.280 1.00 0.00 C ATOM 1902 CG2 VAL A 125 2.121 -6.635 11.516 1.00 0.00 C ATOM 1903 OXT VAL A 125 4.218 -10.303 12.529 1.00 0.00 O ATOM 0 H VAL A 125 2.358 -8.009 9.656 1.00 0.00 H new ATOM 0 HA VAL A 125 4.839 -7.989 11.200 1.00 0.00 H new ATOM 0 HB VAL A 125 2.216 -8.550 12.494 1.00 0.00 H new ATOM 0 HG11 VAL A 125 3.076 -6.746 14.010 1.00 0.00 H new ATOM 0 HG12 VAL A 125 4.299 -8.015 13.760 1.00 0.00 H new ATOM 0 HG13 VAL A 125 4.429 -6.469 12.888 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.466 -6.193 12.267 1.00 0.00 H new ATOM 0 HG22 VAL A 125 2.813 -5.878 11.147 1.00 0.00 H new ATOM 0 HG23 VAL A 125 1.520 -7.012 10.688 1.00 0.00 H new