USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 906 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 61 SER OG : rot 180:sc= 0.00419 USER MOD Set 1.2: A 64 HIS : no HD1:sc= -3.29! K(o=-3.3!,f=-1.3) USER MOD Set 1.3: A 66 SER OG : rot -75:sc= 0.00377 USER MOD Set 2.1: A 10 TYR OH : rot 30:sc= 0.614 USER MOD Set 2.2: A 59 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 60 THR OG1 : rot -63:sc= 0.0414 USER MOD Set 3.1: A 16 HIS : no HD1:sc= -0.265 K(o=-0.9,f=-2.1) USER MOD Set 3.2: A 19 HIS : no HD1:sc= -0.635 K(o=-0.9,f=-2.5) USER MOD Set 4.1: A 3 HIS : no HE2:sc= -0.199 K(o=0.99,f=-6.3!) USER MOD Set 4.2: A 4 MET CE :methyl -147:sc= -0.0629 (180deg=-0.13) USER MOD Set 4.3: A 28 SER OG : rot -30:sc= 1.25 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 145:sc= 0.0964 USER MOD Single : A 12 LYS NZ :NH3+ -148:sc= 0.552 (180deg=0.142) USER MOD Single : A 23 THR OG1 : rot 150:sc= 0 USER MOD Single : A 33 THR OG1 : rot 82:sc= 1.02 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 41 MET CE :methyl -172:sc= -0.324 (180deg=-0.473) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot -22:sc= 1.25 USER MOD Single : A 47 MET CE :methyl -158:sc= -0.0728 (180deg=-0.589) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.00049) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -170:sc= 0.0588 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.367 X(o=-0.37,f=-0.0014) USER MOD Single : A 68 SER OG : rot -133:sc= 0.423 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.391 X(o=-0.39,f=-0.63) USER MOD Single : A 83 GLN : amide:sc= 0.0639 X(o=0.064,f=0) USER MOD Single : A 86 TYR OH : rot -15:sc= 1.32 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot -56:sc= 1.63 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.471 X(o=-0.47,f=0) USER MOD Single : A 102 HIS : no HE2:sc= -1.04 K(o=-1,f=-2.2!) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -145:sc= 0 (180deg=-1.24) USER MOD Single : A 108 GLN : amide:sc= -0.241 X(o=-0.24,f=0) USER MOD Single : A 109 MET CE :methyl -113:sc= -1.36 (180deg=-5.28!) USER MOD Single : A 113 ASN : amide:sc= -2.74! K(o=-2.7!,f=-1.2) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.484 -2.079 10.415 1.00 0.00 N ATOM 2 CA GLY A 1 -17.144 -3.148 9.656 1.00 0.00 C ATOM 3 C GLY A 1 -16.188 -3.830 8.697 1.00 0.00 C ATOM 4 O GLY A 1 -16.442 -3.836 7.485 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.170 -1.637 11.060 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.698 -2.479 10.967 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.116 -1.363 9.757 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.553 -3.885 10.347 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.984 -2.733 9.099 1.00 0.00 H new ATOM 8 N SER A 2 -15.163 -4.496 9.240 1.00 0.00 N ATOM 9 CA SER A 2 -14.170 -5.328 8.569 1.00 0.00 C ATOM 10 C SER A 2 -13.395 -4.589 7.462 1.00 0.00 C ATOM 11 O SER A 2 -13.469 -3.363 7.358 1.00 0.00 O ATOM 12 CB SER A 2 -14.820 -6.648 8.124 1.00 0.00 C ATOM 13 OG SER A 2 -15.565 -7.225 9.183 1.00 0.00 O ATOM 0 H SER A 2 -14.997 -4.461 10.246 1.00 0.00 H new ATOM 0 HA SER A 2 -13.387 -5.578 9.285 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.473 -6.467 7.270 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.049 -7.345 7.794 1.00 0.00 H new ATOM 0 HG SER A 2 -16.360 -7.669 8.820 1.00 0.00 H new ATOM 19 N HIS A 3 -12.596 -5.320 6.674 1.00 0.00 N ATOM 20 CA HIS A 3 -11.988 -4.818 5.437 1.00 0.00 C ATOM 21 C HIS A 3 -11.854 -5.938 4.396 1.00 0.00 C ATOM 22 O HIS A 3 -12.126 -5.707 3.222 1.00 0.00 O ATOM 23 CB HIS A 3 -10.630 -4.152 5.712 1.00 0.00 C ATOM 24 CG HIS A 3 -9.587 -5.118 6.210 1.00 0.00 C ATOM 25 ND1 HIS A 3 -9.536 -5.651 7.475 1.00 0.00 N ATOM 26 CD2 HIS A 3 -8.622 -5.733 5.457 1.00 0.00 C ATOM 27 CE1 HIS A 3 -8.574 -6.580 7.487 1.00 0.00 C ATOM 28 NE2 HIS A 3 -7.989 -6.670 6.283 1.00 0.00 N ATOM 0 H HIS A 3 -12.351 -6.288 6.881 1.00 0.00 H new ATOM 0 HA HIS A 3 -12.651 -4.056 5.027 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -10.272 -3.680 4.797 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -10.763 -3.359 6.448 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -10.126 -5.386 8.264 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -8.392 -5.533 4.421 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.305 -7.175 8.347 1.00 0.00 H new ATOM 36 N MET A 4 -11.493 -7.165 4.808 1.00 0.00 N ATOM 37 CA MET A 4 -11.345 -8.318 3.907 1.00 0.00 C ATOM 38 C MET A 4 -12.627 -8.641 3.132 1.00 0.00 C ATOM 39 O MET A 4 -12.574 -9.360 2.132 1.00 0.00 O ATOM 40 CB MET A 4 -10.964 -9.575 4.702 1.00 0.00 C ATOM 41 CG MET A 4 -9.540 -9.624 5.246 1.00 0.00 C ATOM 42 SD MET A 4 -8.236 -10.161 4.103 1.00 0.00 S ATOM 43 CE MET A 4 -7.570 -8.592 3.491 1.00 0.00 C ATOM 0 H MET A 4 -11.294 -7.385 5.784 1.00 0.00 H new ATOM 0 HA MET A 4 -10.564 -8.040 3.199 1.00 0.00 H new ATOM 0 HB2 MET A 4 -11.654 -9.672 5.540 1.00 0.00 H new ATOM 0 HB3 MET A 4 -11.116 -10.444 4.062 1.00 0.00 H new ATOM 0 HG2 MET A 4 -9.282 -8.629 5.610 1.00 0.00 H new ATOM 0 HG3 MET A 4 -9.530 -10.291 6.108 1.00 0.00 H new ATOM 0 HE1 MET A 4 -7.244 -8.713 2.458 1.00 0.00 H new ATOM 0 HE2 MET A 4 -8.343 -7.825 3.540 1.00 0.00 H new ATOM 0 HE3 MET A 4 -6.722 -8.292 4.107 1.00 0.00 H new ATOM 53 N GLU A 5 -13.788 -8.170 3.587 1.00 0.00 N ATOM 54 CA GLU A 5 -15.033 -8.372 2.853 1.00 0.00 C ATOM 55 C GLU A 5 -15.022 -7.558 1.567 1.00 0.00 C ATOM 56 O GLU A 5 -15.407 -8.075 0.522 1.00 0.00 O ATOM 57 CB GLU A 5 -16.280 -8.031 3.681 1.00 0.00 C ATOM 58 CG GLU A 5 -16.197 -8.655 5.073 1.00 0.00 C ATOM 59 CD GLU A 5 -17.518 -8.646 5.836 1.00 0.00 C ATOM 60 OE1 GLU A 5 -18.537 -9.112 5.287 1.00 0.00 O ATOM 61 OE2 GLU A 5 -17.535 -8.185 7.000 1.00 0.00 O ATOM 0 H GLU A 5 -13.890 -7.648 4.457 1.00 0.00 H new ATOM 0 HA GLU A 5 -15.090 -9.435 2.619 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -16.379 -6.949 3.768 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -17.172 -8.392 3.169 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.851 -9.684 4.979 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.448 -8.119 5.656 1.00 0.00 H new ATOM 68 N VAL A 6 -14.572 -6.303 1.639 1.00 0.00 N ATOM 69 CA VAL A 6 -14.606 -5.364 0.529 1.00 0.00 C ATOM 70 C VAL A 6 -13.773 -5.926 -0.625 1.00 0.00 C ATOM 71 O VAL A 6 -14.241 -6.013 -1.760 1.00 0.00 O ATOM 72 CB VAL A 6 -14.107 -3.978 1.009 1.00 0.00 C ATOM 73 CG1 VAL A 6 -13.914 -2.940 -0.102 1.00 0.00 C ATOM 74 CG2 VAL A 6 -15.092 -3.385 2.023 1.00 0.00 C ATOM 0 H VAL A 6 -14.167 -5.909 2.489 1.00 0.00 H new ATOM 0 HA VAL A 6 -15.624 -5.229 0.164 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.128 -4.176 1.445 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.563 -2.004 0.332 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -13.178 -3.306 -0.818 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.863 -2.771 -0.611 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -14.731 -2.411 2.354 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -16.070 -3.270 1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -15.176 -4.051 2.881 1.00 0.00 H new ATOM 84 N PHE A 7 -12.543 -6.337 -0.319 1.00 0.00 N ATOM 85 CA PHE A 7 -11.512 -6.625 -1.310 1.00 0.00 C ATOM 86 C PHE A 7 -11.522 -8.090 -1.742 1.00 0.00 C ATOM 87 O PHE A 7 -10.694 -8.495 -2.555 1.00 0.00 O ATOM 88 CB PHE A 7 -10.148 -6.198 -0.752 1.00 0.00 C ATOM 89 CG PHE A 7 -10.126 -4.753 -0.285 1.00 0.00 C ATOM 90 CD1 PHE A 7 -10.363 -3.711 -1.203 1.00 0.00 C ATOM 91 CD2 PHE A 7 -9.939 -4.451 1.077 1.00 0.00 C ATOM 92 CE1 PHE A 7 -10.404 -2.379 -0.761 1.00 0.00 C ATOM 93 CE2 PHE A 7 -9.970 -3.116 1.511 1.00 0.00 C ATOM 94 CZ PHE A 7 -10.194 -2.078 0.593 1.00 0.00 C ATOM 0 H PHE A 7 -12.232 -6.481 0.642 1.00 0.00 H new ATOM 0 HA PHE A 7 -11.721 -6.051 -2.213 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -9.883 -6.848 0.082 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -9.387 -6.338 -1.520 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -10.513 -3.937 -2.248 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -9.772 -5.246 1.788 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -10.598 -1.584 -1.466 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -9.821 -2.887 2.556 1.00 0.00 H new ATOM 0 HZ PHE A 7 -10.205 -1.051 0.928 1.00 0.00 H new ATOM 104 N ALA A 8 -12.482 -8.877 -1.260 1.00 0.00 N ATOM 105 CA ALA A 8 -12.600 -10.294 -1.560 1.00 0.00 C ATOM 106 C ALA A 8 -12.681 -10.503 -3.072 1.00 0.00 C ATOM 107 O ALA A 8 -12.026 -11.375 -3.646 1.00 0.00 O ATOM 108 CB ALA A 8 -13.864 -10.794 -0.867 1.00 0.00 C ATOM 0 H ALA A 8 -13.213 -8.535 -0.637 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.732 -10.848 -1.203 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.992 -11.858 -1.067 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.777 -10.634 0.208 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -14.727 -10.247 -1.246 1.00 0.00 H new ATOM 114 N GLU A 9 -13.472 -9.652 -3.722 1.00 0.00 N ATOM 115 CA GLU A 9 -13.696 -9.682 -5.151 1.00 0.00 C ATOM 116 C GLU A 9 -12.455 -9.280 -5.949 1.00 0.00 C ATOM 117 O GLU A 9 -12.365 -9.598 -7.136 1.00 0.00 O ATOM 118 CB GLU A 9 -14.816 -8.695 -5.490 1.00 0.00 C ATOM 119 CG GLU A 9 -16.181 -9.068 -4.937 1.00 0.00 C ATOM 120 CD GLU A 9 -17.249 -9.035 -6.029 1.00 0.00 C ATOM 121 OE1 GLU A 9 -17.585 -7.945 -6.551 1.00 0.00 O ATOM 122 OE2 GLU A 9 -17.721 -10.132 -6.397 1.00 0.00 O ATOM 0 H GLU A 9 -13.984 -8.907 -3.250 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.955 -10.706 -5.421 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -14.542 -7.711 -5.110 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.890 -8.609 -6.574 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -16.138 -10.064 -4.497 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -16.453 -8.378 -4.138 1.00 0.00 H new ATOM 129 N TYR A 10 -11.511 -8.567 -5.334 1.00 0.00 N ATOM 130 CA TYR A 10 -10.234 -8.243 -5.937 1.00 0.00 C ATOM 131 C TYR A 10 -9.308 -9.452 -5.833 1.00 0.00 C ATOM 132 O TYR A 10 -8.834 -9.937 -6.862 1.00 0.00 O ATOM 133 CB TYR A 10 -9.649 -7.005 -5.254 1.00 0.00 C ATOM 134 CG TYR A 10 -8.310 -6.586 -5.808 1.00 0.00 C ATOM 135 CD1 TYR A 10 -8.241 -5.939 -7.052 1.00 0.00 C ATOM 136 CD2 TYR A 10 -7.138 -6.857 -5.082 1.00 0.00 C ATOM 137 CE1 TYR A 10 -7.001 -5.515 -7.558 1.00 0.00 C ATOM 138 CE2 TYR A 10 -5.895 -6.453 -5.588 1.00 0.00 C ATOM 139 CZ TYR A 10 -5.825 -5.759 -6.817 1.00 0.00 C ATOM 140 OH TYR A 10 -4.632 -5.283 -7.260 1.00 0.00 O ATOM 0 H TYR A 10 -11.621 -8.197 -4.390 1.00 0.00 H new ATOM 0 HA TYR A 10 -10.356 -8.008 -6.994 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -10.351 -6.177 -5.358 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.545 -7.204 -4.187 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -9.143 -5.767 -7.621 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -7.195 -7.375 -4.136 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.948 -5.005 -8.509 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.991 -6.672 -5.039 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.777 -4.457 -7.766 1.00 0.00 H new ATOM 150 N LEU A 11 -9.075 -9.955 -4.613 1.00 0.00 N ATOM 151 CA LEU A 11 -8.143 -11.055 -4.368 1.00 0.00 C ATOM 152 C LEU A 11 -8.494 -12.282 -5.209 1.00 0.00 C ATOM 153 O LEU A 11 -7.584 -12.885 -5.779 1.00 0.00 O ATOM 154 CB LEU A 11 -8.084 -11.436 -2.880 1.00 0.00 C ATOM 155 CG LEU A 11 -7.220 -10.581 -1.928 1.00 0.00 C ATOM 156 CD1 LEU A 11 -5.850 -10.189 -2.485 1.00 0.00 C ATOM 157 CD2 LEU A 11 -7.865 -9.293 -1.444 1.00 0.00 C ATOM 0 H LEU A 11 -9.530 -9.607 -3.769 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.157 -10.700 -4.666 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.104 -11.428 -2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.727 -12.464 -2.816 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.108 -11.274 -1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.315 -9.591 -1.748 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.276 -11.089 -2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.981 -9.608 -3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.177 -8.768 -0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.100 -8.660 -2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.782 -9.526 -0.903 1.00 0.00 H new ATOM 169 N LYS A 12 -9.787 -12.616 -5.354 1.00 0.00 N ATOM 170 CA LYS A 12 -10.226 -13.750 -6.172 1.00 0.00 C ATOM 171 C LYS A 12 -9.631 -13.681 -7.581 1.00 0.00 C ATOM 172 O LYS A 12 -9.283 -14.710 -8.165 1.00 0.00 O ATOM 173 CB LYS A 12 -11.773 -13.838 -6.197 1.00 0.00 C ATOM 174 CG LYS A 12 -12.450 -13.015 -7.307 1.00 0.00 C ATOM 175 CD LYS A 12 -13.973 -13.032 -7.191 1.00 0.00 C ATOM 176 CE LYS A 12 -14.591 -11.984 -8.123 1.00 0.00 C ATOM 177 NZ LYS A 12 -16.037 -11.811 -7.876 1.00 0.00 N ATOM 0 H LYS A 12 -10.551 -12.108 -4.908 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.853 -14.667 -5.717 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.061 -14.883 -6.312 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.157 -13.506 -5.233 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.095 -11.985 -7.261 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.157 -13.410 -8.280 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -14.352 -14.022 -7.444 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -14.268 -12.831 -6.161 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.082 -11.030 -7.984 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -14.433 -12.282 -9.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -16.515 -11.568 -8.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -16.433 -12.696 -7.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -16.182 -11.047 -7.186 1.00 0.00 H new ATOM 191 N GLY A 13 -9.548 -12.477 -8.150 1.00 0.00 N ATOM 192 CA GLY A 13 -9.273 -12.278 -9.557 1.00 0.00 C ATOM 193 C GLY A 13 -7.783 -12.240 -9.860 1.00 0.00 C ATOM 194 O GLY A 13 -7.424 -12.194 -11.037 1.00 0.00 O ATOM 0 H GLY A 13 -9.673 -11.607 -7.632 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.737 -13.080 -10.131 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.731 -11.345 -9.885 1.00 0.00 H new ATOM 198 N ILE A 14 -6.918 -12.236 -8.845 1.00 0.00 N ATOM 199 CA ILE A 14 -5.481 -12.388 -8.999 1.00 0.00 C ATOM 200 C ILE A 14 -5.253 -13.842 -9.410 1.00 0.00 C ATOM 201 O ILE A 14 -5.639 -14.759 -8.685 1.00 0.00 O ATOM 202 CB ILE A 14 -4.767 -12.003 -7.687 1.00 0.00 C ATOM 203 CG1 ILE A 14 -5.099 -10.534 -7.327 1.00 0.00 C ATOM 204 CG2 ILE A 14 -3.247 -12.223 -7.826 1.00 0.00 C ATOM 205 CD1 ILE A 14 -4.538 -10.066 -5.983 1.00 0.00 C ATOM 0 H ILE A 14 -7.209 -12.124 -7.874 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.064 -11.727 -9.759 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.120 -12.640 -6.876 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.713 -9.885 -8.113 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.182 -10.412 -7.316 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.753 -11.948 -6.894 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.050 -13.272 -8.045 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.862 -11.604 -8.637 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.819 -9.027 -5.813 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.943 -10.686 -5.184 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.451 -10.151 -5.993 1.00 0.00 H new ATOM 217 N ASP A 15 -4.659 -14.058 -10.583 1.00 0.00 N ATOM 218 CA ASP A 15 -4.437 -15.382 -11.184 1.00 0.00 C ATOM 219 C ASP A 15 -3.045 -15.939 -10.835 1.00 0.00 C ATOM 220 O ASP A 15 -2.645 -17.033 -11.241 1.00 0.00 O ATOM 221 CB ASP A 15 -4.622 -15.256 -12.700 1.00 0.00 C ATOM 222 CG ASP A 15 -5.295 -16.470 -13.348 1.00 0.00 C ATOM 223 OD1 ASP A 15 -5.332 -17.571 -12.749 1.00 0.00 O ATOM 224 OD2 ASP A 15 -5.843 -16.295 -14.464 1.00 0.00 O ATOM 0 H ASP A 15 -4.307 -13.296 -11.163 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.160 -16.091 -10.780 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.218 -14.368 -12.911 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.647 -15.103 -13.163 1.00 0.00 H new ATOM 229 N HIS A 16 -2.299 -15.162 -10.050 1.00 0.00 N ATOM 230 CA HIS A 16 -0.941 -15.407 -9.585 1.00 0.00 C ATOM 231 C HIS A 16 -0.938 -15.596 -8.054 1.00 0.00 C ATOM 232 O HIS A 16 -0.342 -14.789 -7.339 1.00 0.00 O ATOM 233 CB HIS A 16 -0.045 -14.264 -10.132 1.00 0.00 C ATOM 234 CG HIS A 16 0.890 -14.701 -11.232 1.00 0.00 C ATOM 235 ND1 HIS A 16 2.212 -14.333 -11.376 1.00 0.00 N ATOM 236 CD2 HIS A 16 0.587 -15.556 -12.258 1.00 0.00 C ATOM 237 CE1 HIS A 16 2.703 -14.985 -12.442 1.00 0.00 C ATOM 238 NE2 HIS A 16 1.747 -15.731 -13.017 1.00 0.00 N ATOM 0 H HIS A 16 -2.661 -14.276 -9.697 1.00 0.00 H new ATOM 0 HA HIS A 16 -0.521 -16.338 -9.966 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -0.682 -13.462 -10.506 1.00 0.00 H new ATOM 0 HB3 HIS A 16 0.541 -13.850 -9.312 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -0.374 -16.012 -12.446 1.00 0.00 H new ATOM 0 HE1 HIS A 16 3.724 -14.918 -12.788 1.00 0.00 H new ATOM 0 HE2 HIS A 16 1.848 -16.314 -13.848 1.00 0.00 H new ATOM 246 N PRO A 17 -1.561 -16.668 -7.524 1.00 0.00 N ATOM 247 CA PRO A 17 -1.745 -16.882 -6.092 1.00 0.00 C ATOM 248 C PRO A 17 -0.435 -16.948 -5.304 1.00 0.00 C ATOM 249 O PRO A 17 -0.407 -16.474 -4.174 1.00 0.00 O ATOM 250 CB PRO A 17 -2.567 -18.164 -5.950 1.00 0.00 C ATOM 251 CG PRO A 17 -2.335 -18.889 -7.270 1.00 0.00 C ATOM 252 CD PRO A 17 -2.189 -17.749 -8.258 1.00 0.00 C ATOM 0 HA PRO A 17 -2.263 -16.027 -5.657 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.234 -18.761 -5.101 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.624 -17.947 -5.792 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.442 -19.513 -7.237 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.170 -19.541 -7.525 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -1.581 -18.047 -9.112 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.160 -17.444 -8.649 1.00 0.00 H new ATOM 260 N ASP A 18 0.661 -17.425 -5.911 1.00 0.00 N ATOM 261 CA ASP A 18 2.007 -17.467 -5.309 1.00 0.00 C ATOM 262 C ASP A 18 2.533 -16.084 -4.902 1.00 0.00 C ATOM 263 O ASP A 18 3.547 -15.976 -4.209 1.00 0.00 O ATOM 264 CB ASP A 18 2.988 -18.103 -6.305 1.00 0.00 C ATOM 265 CG ASP A 18 2.919 -19.625 -6.311 1.00 0.00 C ATOM 266 OD1 ASP A 18 3.151 -20.259 -5.255 1.00 0.00 O ATOM 267 OD2 ASP A 18 2.590 -20.186 -7.383 1.00 0.00 O ATOM 0 H ASP A 18 0.638 -17.803 -6.858 1.00 0.00 H new ATOM 0 HA ASP A 18 1.928 -18.060 -4.398 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.774 -17.730 -7.307 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.003 -17.791 -6.058 1.00 0.00 H new ATOM 272 N HIS A 19 1.858 -15.021 -5.332 1.00 0.00 N ATOM 273 CA HIS A 19 2.226 -13.626 -5.130 1.00 0.00 C ATOM 274 C HIS A 19 1.052 -12.857 -4.497 1.00 0.00 C ATOM 275 O HIS A 19 1.215 -11.742 -4.006 1.00 0.00 O ATOM 276 CB HIS A 19 2.650 -13.020 -6.487 1.00 0.00 C ATOM 277 CG HIS A 19 3.307 -13.992 -7.451 1.00 0.00 C ATOM 278 ND1 HIS A 19 2.634 -14.922 -8.208 1.00 0.00 N ATOM 279 CD2 HIS A 19 4.645 -14.190 -7.674 1.00 0.00 C ATOM 280 CE1 HIS A 19 3.539 -15.669 -8.857 1.00 0.00 C ATOM 281 NE2 HIS A 19 4.781 -15.252 -8.576 1.00 0.00 N ATOM 0 H HIS A 19 0.991 -15.118 -5.860 1.00 0.00 H new ATOM 0 HA HIS A 19 3.068 -13.551 -4.442 1.00 0.00 H new ATOM 0 HB2 HIS A 19 1.769 -12.595 -6.968 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.339 -12.197 -6.300 1.00 0.00 H new ATOM 0 HD2 HIS A 19 5.453 -13.626 -7.231 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.300 -16.492 -9.514 1.00 0.00 H new ATOM 0 HE2 HIS A 19 5.652 -15.633 -8.946 1.00 0.00 H new ATOM 289 N ARG A 20 -0.149 -13.452 -4.500 1.00 0.00 N ATOM 290 CA ARG A 20 -1.378 -12.837 -4.020 1.00 0.00 C ATOM 291 C ARG A 20 -1.299 -12.612 -2.520 1.00 0.00 C ATOM 292 O ARG A 20 -1.659 -11.536 -2.052 1.00 0.00 O ATOM 293 CB ARG A 20 -2.572 -13.739 -4.383 1.00 0.00 C ATOM 294 CG ARG A 20 -3.909 -13.123 -3.955 1.00 0.00 C ATOM 295 CD ARG A 20 -4.633 -13.907 -2.855 1.00 0.00 C ATOM 296 NE ARG A 20 -5.348 -15.064 -3.408 1.00 0.00 N ATOM 297 CZ ARG A 20 -6.104 -15.922 -2.716 1.00 0.00 C ATOM 298 NH1 ARG A 20 -6.239 -15.846 -1.403 1.00 0.00 N ATOM 299 NH2 ARG A 20 -6.749 -16.877 -3.359 1.00 0.00 N ATOM 0 H ARG A 20 -0.288 -14.401 -4.848 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.514 -11.866 -4.496 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.581 -13.913 -5.459 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.451 -14.711 -3.904 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.733 -12.105 -3.606 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.561 -13.053 -4.826 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.912 -14.244 -2.111 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.338 -13.252 -2.342 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.260 -15.228 -4.411 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.757 -15.113 -0.882 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.825 -16.520 -0.911 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.667 -16.954 -4.373 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.329 -17.538 -2.842 1.00 0.00 H new ATOM 313 N ASP A 21 -0.846 -13.620 -1.781 1.00 0.00 N ATOM 314 CA ASP A 21 -0.860 -13.656 -0.319 1.00 0.00 C ATOM 315 C ASP A 21 -0.145 -12.458 0.310 1.00 0.00 C ATOM 316 O ASP A 21 -0.574 -11.935 1.334 1.00 0.00 O ATOM 317 CB ASP A 21 -0.187 -14.952 0.115 1.00 0.00 C ATOM 318 CG ASP A 21 -0.372 -15.250 1.592 1.00 0.00 C ATOM 319 OD1 ASP A 21 -1.536 -15.287 2.047 1.00 0.00 O ATOM 320 OD2 ASP A 21 0.659 -15.545 2.233 1.00 0.00 O ATOM 0 H ASP A 21 -0.446 -14.462 -2.195 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.894 -13.607 0.023 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.591 -15.778 -0.470 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.878 -14.894 -0.108 1.00 0.00 H new ATOM 325 N ARG A 22 0.911 -11.961 -0.343 1.00 0.00 N ATOM 326 CA ARG A 22 1.619 -10.753 0.097 1.00 0.00 C ATOM 327 C ARG A 22 0.662 -9.553 0.203 1.00 0.00 C ATOM 328 O ARG A 22 0.773 -8.744 1.118 1.00 0.00 O ATOM 329 CB ARG A 22 2.771 -10.404 -0.867 1.00 0.00 C ATOM 330 CG ARG A 22 3.752 -11.511 -1.301 1.00 0.00 C ATOM 331 CD ARG A 22 4.563 -12.175 -0.179 1.00 0.00 C ATOM 332 NE ARG A 22 3.788 -13.189 0.562 1.00 0.00 N ATOM 333 CZ ARG A 22 3.860 -13.404 1.884 1.00 0.00 C ATOM 334 NH1 ARG A 22 4.778 -12.783 2.623 1.00 0.00 N ATOM 335 NH2 ARG A 22 3.025 -14.238 2.494 1.00 0.00 N ATOM 0 H ARG A 22 1.298 -12.382 -1.188 1.00 0.00 H new ATOM 0 HA ARG A 22 2.031 -10.964 1.084 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.327 -9.987 -1.771 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.357 -9.610 -0.404 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.187 -12.285 -1.820 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.450 -11.087 -2.023 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.450 -12.643 -0.606 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.909 -11.409 0.515 1.00 0.00 H new ATOM 0 HE ARG A 22 3.146 -13.773 0.026 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.434 -12.137 2.184 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.825 -12.953 3.628 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.311 -14.730 1.956 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.097 -14.387 3.500 1.00 0.00 H new ATOM 349 N THR A 23 -0.265 -9.414 -0.741 1.00 0.00 N ATOM 350 CA THR A 23 -1.222 -8.313 -0.826 1.00 0.00 C ATOM 351 C THR A 23 -2.238 -8.430 0.330 1.00 0.00 C ATOM 352 O THR A 23 -2.634 -7.417 0.902 1.00 0.00 O ATOM 353 CB THR A 23 -1.928 -8.402 -2.191 1.00 0.00 C ATOM 354 OG1 THR A 23 -0.987 -8.562 -3.240 1.00 0.00 O ATOM 355 CG2 THR A 23 -2.747 -7.148 -2.490 1.00 0.00 C ATOM 0 H THR A 23 -0.375 -10.090 -1.497 1.00 0.00 H new ATOM 0 HA THR A 23 -0.720 -7.349 -0.740 1.00 0.00 H new ATOM 0 HB THR A 23 -2.589 -9.267 -2.136 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.394 -9.074 -3.970 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.229 -7.251 -3.462 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.507 -7.018 -1.720 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.090 -6.278 -2.501 1.00 0.00 H new ATOM 363 N GLU A 24 -2.683 -9.642 0.685 1.00 0.00 N ATOM 364 CA GLU A 24 -3.562 -9.883 1.831 1.00 0.00 C ATOM 365 C GLU A 24 -2.893 -9.502 3.149 1.00 0.00 C ATOM 366 O GLU A 24 -3.530 -8.831 3.963 1.00 0.00 O ATOM 367 CB GLU A 24 -3.986 -11.353 1.893 1.00 0.00 C ATOM 368 CG GLU A 24 -4.950 -11.702 0.768 1.00 0.00 C ATOM 369 CD GLU A 24 -5.463 -13.141 0.830 1.00 0.00 C ATOM 370 OE1 GLU A 24 -5.086 -13.919 1.737 1.00 0.00 O ATOM 371 OE2 GLU A 24 -6.224 -13.504 -0.091 1.00 0.00 O ATOM 0 H GLU A 24 -2.438 -10.492 0.177 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.441 -9.253 1.691 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.104 -11.990 1.829 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.458 -11.557 2.854 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.799 -11.020 0.803 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.453 -11.543 -0.189 1.00 0.00 H new ATOM 378 N GLU A 25 -1.629 -9.885 3.366 1.00 0.00 N ATOM 379 CA GLU A 25 -0.840 -9.555 4.494 1.00 0.00 C ATOM 380 C GLU A 25 -0.829 -8.036 4.666 1.00 0.00 C ATOM 381 O GLU A 25 -1.154 -7.549 5.744 1.00 0.00 O ATOM 382 CB GLU A 25 0.533 -10.185 4.184 1.00 0.00 C ATOM 383 CG GLU A 25 1.407 -9.857 5.352 1.00 0.00 C ATOM 384 CD GLU A 25 2.824 -10.435 5.336 1.00 0.00 C ATOM 385 OE1 GLU A 25 3.162 -11.276 4.472 1.00 0.00 O ATOM 386 OE2 GLU A 25 3.649 -10.069 6.201 1.00 0.00 O ATOM 0 H GLU A 25 -1.125 -10.470 2.699 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.206 -9.934 5.448 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.447 -11.263 4.051 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.948 -9.782 3.260 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.483 -8.772 5.425 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.909 -10.204 6.257 1.00 0.00 H new ATOM 393 N ILE A 26 -0.501 -7.309 3.595 1.00 0.00 N ATOM 394 CA ILE A 26 -0.546 -5.849 3.505 1.00 0.00 C ATOM 395 C ILE A 26 -1.918 -5.330 3.931 1.00 0.00 C ATOM 396 O ILE A 26 -1.992 -4.482 4.814 1.00 0.00 O ATOM 397 CB ILE A 26 -0.171 -5.385 2.077 1.00 0.00 C ATOM 398 CG1 ILE A 26 1.319 -5.702 1.829 1.00 0.00 C ATOM 399 CG2 ILE A 26 -0.492 -3.889 1.834 1.00 0.00 C ATOM 400 CD1 ILE A 26 1.693 -5.726 0.350 1.00 0.00 C ATOM 0 H ILE A 26 -0.183 -7.742 2.728 1.00 0.00 H new ATOM 0 HA ILE A 26 0.190 -5.428 4.190 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.783 -5.931 1.359 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.931 -4.959 2.339 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.556 -6.669 2.272 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.209 -3.617 0.817 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.560 -3.719 1.971 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.067 -3.277 2.542 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.754 -5.955 0.247 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.106 -6.489 -0.161 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.487 -4.752 -0.093 1.00 0.00 H new ATOM 412 N LEU A 27 -2.998 -5.783 3.293 1.00 0.00 N ATOM 413 CA LEU A 27 -4.338 -5.259 3.537 1.00 0.00 C ATOM 414 C LEU A 27 -4.661 -5.312 5.027 1.00 0.00 C ATOM 415 O LEU A 27 -4.998 -4.284 5.621 1.00 0.00 O ATOM 416 CB LEU A 27 -5.367 -6.045 2.714 1.00 0.00 C ATOM 417 CG LEU A 27 -5.463 -5.602 1.248 1.00 0.00 C ATOM 418 CD1 LEU A 27 -6.169 -6.672 0.413 1.00 0.00 C ATOM 419 CD2 LEU A 27 -6.231 -4.288 1.118 1.00 0.00 C ATOM 0 H LEU A 27 -2.966 -6.524 2.593 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.379 -4.216 3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.111 -7.104 2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.347 -5.939 3.180 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.446 -5.458 0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.229 -6.343 -0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.607 -7.604 0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.175 -6.832 0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.283 -3.999 0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.240 -4.416 1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.719 -3.510 1.684 1.00 0.00 H new ATOM 431 N SER A 28 -4.519 -6.491 5.633 1.00 0.00 N ATOM 432 CA SER A 28 -4.787 -6.690 7.033 1.00 0.00 C ATOM 433 C SER A 28 -3.768 -5.989 7.931 1.00 0.00 C ATOM 434 O SER A 28 -4.167 -5.520 8.995 1.00 0.00 O ATOM 435 CB SER A 28 -4.855 -8.192 7.275 1.00 0.00 C ATOM 436 OG SER A 28 -5.933 -8.741 6.534 1.00 0.00 O ATOM 0 H SER A 28 -4.211 -7.335 5.150 1.00 0.00 H new ATOM 0 HA SER A 28 -5.739 -6.231 7.300 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.918 -8.662 6.977 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.989 -8.394 8.338 1.00 0.00 H new ATOM 0 HG SER A 28 -6.638 -8.068 6.435 1.00 0.00 H new ATOM 442 N TRP A 29 -2.504 -5.859 7.510 1.00 0.00 N ATOM 443 CA TRP A 29 -1.461 -5.127 8.226 1.00 0.00 C ATOM 444 C TRP A 29 -1.819 -3.648 8.326 1.00 0.00 C ATOM 445 O TRP A 29 -1.775 -3.077 9.416 1.00 0.00 O ATOM 446 CB TRP A 29 -0.100 -5.292 7.530 1.00 0.00 C ATOM 447 CG TRP A 29 1.006 -4.491 8.134 1.00 0.00 C ATOM 448 CD1 TRP A 29 1.794 -4.899 9.142 1.00 0.00 C ATOM 449 CD2 TRP A 29 1.476 -3.160 7.787 1.00 0.00 C ATOM 450 NE1 TRP A 29 2.638 -3.882 9.525 1.00 0.00 N ATOM 451 CE2 TRP A 29 2.521 -2.796 8.686 1.00 0.00 C ATOM 452 CE3 TRP A 29 1.187 -2.267 6.739 1.00 0.00 C ATOM 453 CZ2 TRP A 29 3.227 -1.593 8.559 1.00 0.00 C ATOM 454 CZ3 TRP A 29 1.927 -1.085 6.567 1.00 0.00 C ATOM 455 CH2 TRP A 29 2.946 -0.752 7.471 1.00 0.00 C ATOM 0 H TRP A 29 -2.173 -6.272 6.638 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.389 -5.542 9.231 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.179 -6.346 7.550 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.205 -5.010 6.482 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.769 -5.883 9.587 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.268 -3.927 10.326 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.383 -2.494 6.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.976 -1.317 9.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.710 -0.431 5.736 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.516 0.154 7.330 1.00 0.00 H new ATOM 466 N VAL A 30 -2.181 -3.011 7.209 1.00 0.00 N ATOM 467 CA VAL A 30 -2.587 -1.616 7.206 1.00 0.00 C ATOM 468 C VAL A 30 -3.810 -1.486 8.117 1.00 0.00 C ATOM 469 O VAL A 30 -3.787 -0.684 9.044 1.00 0.00 O ATOM 470 CB VAL A 30 -2.865 -1.105 5.778 1.00 0.00 C ATOM 471 CG1 VAL A 30 -3.319 0.362 5.795 1.00 0.00 C ATOM 472 CG2 VAL A 30 -1.641 -1.146 4.847 1.00 0.00 C ATOM 0 H VAL A 30 -2.199 -3.451 6.289 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.780 -0.989 7.585 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.634 -1.780 5.403 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.508 0.696 4.775 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.233 0.453 6.382 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.539 0.979 6.240 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.920 -0.770 3.862 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.848 -0.524 5.261 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.287 -2.173 4.757 1.00 0.00 H new ATOM 482 N ALA A 31 -4.842 -2.309 7.904 1.00 0.00 N ATOM 483 CA ALA A 31 -6.063 -2.290 8.701 1.00 0.00 C ATOM 484 C ALA A 31 -5.846 -2.740 10.157 1.00 0.00 C ATOM 485 O ALA A 31 -6.812 -2.818 10.915 1.00 0.00 O ATOM 486 CB ALA A 31 -7.105 -3.183 8.022 1.00 0.00 C ATOM 0 H ALA A 31 -4.849 -3.012 7.165 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.409 -1.258 8.752 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.025 -3.179 8.607 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.311 -2.805 7.020 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.723 -4.202 7.954 1.00 0.00 H new ATOM 492 N ALA A 32 -4.630 -3.124 10.557 1.00 0.00 N ATOM 493 CA ALA A 32 -4.292 -3.480 11.928 1.00 0.00 C ATOM 494 C ALA A 32 -3.497 -2.343 12.564 1.00 0.00 C ATOM 495 O ALA A 32 -3.909 -1.833 13.599 1.00 0.00 O ATOM 496 CB ALA A 32 -3.531 -4.807 11.992 1.00 0.00 C ATOM 0 H ALA A 32 -3.839 -3.196 9.917 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.213 -3.624 12.494 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.295 -5.041 13.030 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.148 -5.601 11.572 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.607 -4.725 11.420 1.00 0.00 H new ATOM 502 N THR A 33 -2.382 -1.960 11.942 1.00 0.00 N ATOM 503 CA THR A 33 -1.448 -0.923 12.380 1.00 0.00 C ATOM 504 C THR A 33 -2.075 0.470 12.330 1.00 0.00 C ATOM 505 O THR A 33 -1.737 1.332 13.146 1.00 0.00 O ATOM 506 CB THR A 33 -0.219 -0.934 11.457 1.00 0.00 C ATOM 507 OG1 THR A 33 0.220 -2.240 11.139 1.00 0.00 O ATOM 508 CG2 THR A 33 1.008 -0.280 12.091 1.00 0.00 C ATOM 0 H THR A 33 -2.089 -2.392 11.066 1.00 0.00 H new ATOM 0 HA THR A 33 -1.172 -1.139 13.412 1.00 0.00 H new ATOM 0 HB THR A 33 -0.568 -0.391 10.578 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.322 -2.598 10.405 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.843 -0.318 11.392 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.783 0.759 12.331 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.274 -0.814 13.003 1.00 0.00 H new ATOM 516 N PHE A 34 -2.962 0.703 11.356 1.00 0.00 N ATOM 517 CA PHE A 34 -3.637 1.969 11.142 1.00 0.00 C ATOM 518 C PHE A 34 -5.136 1.659 11.021 1.00 0.00 C ATOM 519 O PHE A 34 -5.693 1.693 9.928 1.00 0.00 O ATOM 520 CB PHE A 34 -3.023 2.774 9.970 1.00 0.00 C ATOM 521 CG PHE A 34 -1.575 2.446 9.679 1.00 0.00 C ATOM 522 CD1 PHE A 34 -0.523 2.952 10.457 1.00 0.00 C ATOM 523 CD2 PHE A 34 -1.298 1.523 8.665 1.00 0.00 C ATOM 524 CE1 PHE A 34 0.795 2.537 10.206 1.00 0.00 C ATOM 525 CE2 PHE A 34 0.017 1.127 8.392 1.00 0.00 C ATOM 526 CZ PHE A 34 1.069 1.634 9.167 1.00 0.00 C ATOM 0 H PHE A 34 -3.232 -0.011 10.680 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.497 2.648 11.983 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.612 2.591 9.071 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.104 3.838 10.194 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.726 3.659 11.247 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.110 1.110 8.085 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.602 2.915 10.816 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.220 0.434 7.588 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.086 1.331 8.966 1.00 0.00 H new ATOM 536 N PRO A 35 -5.819 1.312 12.121 1.00 0.00 N ATOM 537 CA PRO A 35 -7.217 0.895 12.067 1.00 0.00 C ATOM 538 C PRO A 35 -8.182 2.076 11.875 1.00 0.00 C ATOM 539 O PRO A 35 -9.381 1.863 11.703 1.00 0.00 O ATOM 540 CB PRO A 35 -7.452 0.176 13.393 1.00 0.00 C ATOM 541 CG PRO A 35 -6.515 0.907 14.348 1.00 0.00 C ATOM 542 CD PRO A 35 -5.312 1.261 13.483 1.00 0.00 C ATOM 0 HA PRO A 35 -7.411 0.253 11.208 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.492 0.248 13.713 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.212 -0.885 13.325 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.984 1.799 14.763 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.230 0.275 15.189 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.883 2.218 13.779 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.524 0.515 13.581 1.00 0.00 H new ATOM 550 N ASN A 36 -7.690 3.323 11.917 1.00 0.00 N ATOM 551 CA ASN A 36 -8.512 4.505 11.683 1.00 0.00 C ATOM 552 C ASN A 36 -9.058 4.508 10.260 1.00 0.00 C ATOM 553 O ASN A 36 -10.242 4.801 10.086 1.00 0.00 O ATOM 554 CB ASN A 36 -7.739 5.810 11.947 1.00 0.00 C ATOM 555 CG ASN A 36 -8.290 6.538 13.170 1.00 0.00 C ATOM 556 OD1 ASN A 36 -9.443 6.955 13.213 1.00 0.00 O ATOM 557 ND2 ASN A 36 -7.507 6.610 14.231 1.00 0.00 N ATOM 0 H ASN A 36 -6.712 3.533 12.114 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.342 4.459 12.389 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.683 5.586 12.098 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.805 6.459 11.073 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.859 7.016 15.098 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.550 6.260 14.183 1.00 0.00 H new ATOM 564 N LEU A 37 -8.212 4.220 9.258 1.00 0.00 N ATOM 565 CA LEU A 37 -8.542 4.357 7.850 1.00 0.00 C ATOM 566 C LEU A 37 -9.735 3.448 7.527 1.00 0.00 C ATOM 567 O LEU A 37 -9.841 2.343 8.063 1.00 0.00 O ATOM 568 CB LEU A 37 -7.368 3.898 6.975 1.00 0.00 C ATOM 569 CG LEU A 37 -6.072 4.716 7.035 1.00 0.00 C ATOM 570 CD1 LEU A 37 -6.327 6.166 6.707 1.00 0.00 C ATOM 571 CD2 LEU A 37 -5.336 4.432 8.297 1.00 0.00 C ATOM 0 H LEU A 37 -7.264 3.880 9.418 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.770 5.404 7.650 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.129 2.870 7.247 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.707 3.883 5.939 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.383 4.402 6.251 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.390 6.721 6.758 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.741 6.244 5.702 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.034 6.582 7.424 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.419 5.020 8.324 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.961 4.696 9.150 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.088 3.372 8.343 1.00 0.00 H new ATOM 583 N GLU A 38 -10.583 3.861 6.594 1.00 0.00 N ATOM 584 CA GLU A 38 -11.737 3.095 6.137 1.00 0.00 C ATOM 585 C GLU A 38 -11.423 2.499 4.760 1.00 0.00 C ATOM 586 O GLU A 38 -10.756 3.166 3.969 1.00 0.00 O ATOM 587 CB GLU A 38 -12.938 4.048 6.055 1.00 0.00 C ATOM 588 CG GLU A 38 -13.464 4.460 7.439 1.00 0.00 C ATOM 589 CD GLU A 38 -14.507 3.482 7.965 1.00 0.00 C ATOM 590 OE1 GLU A 38 -14.291 2.251 7.926 1.00 0.00 O ATOM 591 OE2 GLU A 38 -15.612 3.938 8.338 1.00 0.00 O ATOM 0 H GLU A 38 -10.486 4.760 6.122 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.967 2.280 6.824 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.651 4.941 5.499 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.740 3.568 5.494 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.632 4.516 8.141 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.899 5.458 7.380 1.00 0.00 H new ATOM 598 N PRO A 39 -11.901 1.288 4.424 1.00 0.00 N ATOM 599 CA PRO A 39 -11.684 0.697 3.107 1.00 0.00 C ATOM 600 C PRO A 39 -12.459 1.457 2.022 1.00 0.00 C ATOM 601 O PRO A 39 -13.439 2.152 2.323 1.00 0.00 O ATOM 602 CB PRO A 39 -12.183 -0.751 3.225 1.00 0.00 C ATOM 603 CG PRO A 39 -13.217 -0.692 4.349 1.00 0.00 C ATOM 604 CD PRO A 39 -12.652 0.380 5.278 1.00 0.00 C ATOM 0 HA PRO A 39 -10.635 0.743 2.815 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.626 -1.098 2.292 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.370 -1.436 3.466 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.205 -0.423 3.975 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -13.319 -1.652 4.855 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.451 0.906 5.800 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -12.010 -0.062 6.040 1.00 0.00 H new ATOM 612 N GLN A 40 -12.068 1.284 0.756 1.00 0.00 N ATOM 613 CA GLN A 40 -12.865 1.596 -0.416 1.00 0.00 C ATOM 614 C GLN A 40 -12.306 0.780 -1.591 1.00 0.00 C ATOM 615 O GLN A 40 -11.092 0.799 -1.806 1.00 0.00 O ATOM 616 CB GLN A 40 -12.771 3.108 -0.698 1.00 0.00 C ATOM 617 CG GLN A 40 -14.101 3.589 -1.269 1.00 0.00 C ATOM 618 CD GLN A 40 -14.121 5.083 -1.584 1.00 0.00 C ATOM 619 OE1 GLN A 40 -14.269 5.471 -2.739 1.00 0.00 O ATOM 620 NE2 GLN A 40 -13.985 5.941 -0.582 1.00 0.00 N ATOM 0 H GLN A 40 -11.150 0.908 0.519 1.00 0.00 H new ATOM 0 HA GLN A 40 -13.914 1.343 -0.265 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.537 3.648 0.219 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.964 3.310 -1.402 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.321 3.030 -2.179 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.896 3.365 -0.558 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -13.863 5.597 0.371 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -14.002 6.944 -0.764 1.00 0.00 H new ATOM 629 N MET A 41 -13.140 0.061 -2.351 1.00 0.00 N ATOM 630 CA MET A 41 -12.730 -0.423 -3.675 1.00 0.00 C ATOM 631 C MET A 41 -12.870 0.726 -4.671 1.00 0.00 C ATOM 632 O MET A 41 -13.989 1.145 -4.979 1.00 0.00 O ATOM 633 CB MET A 41 -13.556 -1.630 -4.150 1.00 0.00 C ATOM 634 CG MET A 41 -13.069 -2.960 -3.586 1.00 0.00 C ATOM 635 SD MET A 41 -12.623 -4.222 -4.812 1.00 0.00 S ATOM 636 CE MET A 41 -11.042 -3.549 -5.379 1.00 0.00 C ATOM 0 H MET A 41 -14.089 -0.196 -2.078 1.00 0.00 H new ATOM 0 HA MET A 41 -11.696 -0.761 -3.607 1.00 0.00 H new ATOM 0 HB2 MET A 41 -14.597 -1.483 -3.864 1.00 0.00 H new ATOM 0 HB3 MET A 41 -13.528 -1.674 -5.239 1.00 0.00 H new ATOM 0 HG2 MET A 41 -12.200 -2.770 -2.956 1.00 0.00 H new ATOM 0 HG3 MET A 41 -13.848 -3.366 -2.941 1.00 0.00 H new ATOM 0 HE1 MET A 41 -10.690 -4.121 -6.237 1.00 0.00 H new ATOM 0 HE2 MET A 41 -11.173 -2.506 -5.667 1.00 0.00 H new ATOM 0 HE3 MET A 41 -10.309 -3.614 -4.574 1.00 0.00 H new ATOM 646 N LYS A 42 -11.745 1.220 -5.194 1.00 0.00 N ATOM 647 CA LYS A 42 -11.687 2.333 -6.138 1.00 0.00 C ATOM 648 C LYS A 42 -10.970 1.860 -7.385 1.00 0.00 C ATOM 649 O LYS A 42 -9.880 1.305 -7.267 1.00 0.00 O ATOM 650 CB LYS A 42 -10.941 3.495 -5.475 1.00 0.00 C ATOM 651 CG LYS A 42 -11.280 4.834 -6.132 1.00 0.00 C ATOM 652 CD LYS A 42 -12.565 5.403 -5.526 1.00 0.00 C ATOM 653 CE LYS A 42 -13.075 6.647 -6.248 1.00 0.00 C ATOM 654 NZ LYS A 42 -12.277 7.855 -5.968 1.00 0.00 N ATOM 0 H LYS A 42 -10.825 0.844 -4.964 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.684 2.675 -6.415 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.196 3.534 -4.416 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.867 3.321 -5.538 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.459 5.537 -5.990 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.403 4.700 -7.207 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.339 4.636 -5.548 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.387 5.647 -4.479 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.074 6.461 -7.322 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.110 6.828 -5.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.676 8.663 -6.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.298 8.056 -4.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.294 7.700 -6.270 1.00 0.00 H new ATOM 668 N TRP A 43 -11.548 2.051 -8.572 1.00 0.00 N ATOM 669 CA TRP A 43 -10.992 1.566 -9.836 1.00 0.00 C ATOM 670 C TRP A 43 -10.680 0.069 -9.818 1.00 0.00 C ATOM 671 O TRP A 43 -9.812 -0.396 -10.559 1.00 0.00 O ATOM 672 CB TRP A 43 -9.819 2.454 -10.250 1.00 0.00 C ATOM 673 CG TRP A 43 -10.154 3.488 -11.279 1.00 0.00 C ATOM 674 CD1 TRP A 43 -11.060 4.482 -11.153 1.00 0.00 C ATOM 675 CD2 TRP A 43 -9.615 3.619 -12.623 1.00 0.00 C ATOM 676 NE1 TRP A 43 -11.013 5.290 -12.274 1.00 0.00 N ATOM 677 CE2 TRP A 43 -10.095 4.831 -13.191 1.00 0.00 C ATOM 678 CE3 TRP A 43 -8.761 2.829 -13.415 1.00 0.00 C ATOM 679 CZ2 TRP A 43 -9.655 5.291 -14.442 1.00 0.00 C ATOM 680 CZ3 TRP A 43 -8.341 3.260 -14.689 1.00 0.00 C ATOM 681 CH2 TRP A 43 -8.766 4.503 -15.194 1.00 0.00 C ATOM 0 H TRP A 43 -12.428 2.554 -8.684 1.00 0.00 H new ATOM 0 HA TRP A 43 -11.752 1.651 -10.613 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.429 2.955 -9.364 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -9.020 1.821 -10.636 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -11.718 4.623 -10.309 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -11.587 6.123 -12.405 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -8.421 1.875 -13.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -9.996 6.242 -14.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -7.690 2.634 -15.281 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -8.411 4.849 -16.153 1.00 0.00 H new ATOM 692 N ASN A 44 -11.387 -0.691 -8.972 1.00 0.00 N ATOM 693 CA ASN A 44 -11.178 -2.114 -8.774 1.00 0.00 C ATOM 694 C ASN A 44 -9.768 -2.371 -8.244 1.00 0.00 C ATOM 695 O ASN A 44 -9.165 -3.411 -8.504 1.00 0.00 O ATOM 696 CB ASN A 44 -11.420 -2.877 -10.073 1.00 0.00 C ATOM 697 CG ASN A 44 -12.047 -4.228 -9.794 1.00 0.00 C ATOM 698 OD1 ASN A 44 -13.229 -4.286 -9.469 1.00 0.00 O ATOM 699 ND2 ASN A 44 -11.299 -5.310 -9.896 1.00 0.00 N ATOM 0 H ASN A 44 -12.139 -0.314 -8.395 1.00 0.00 H new ATOM 0 HA ASN A 44 -11.893 -2.474 -8.035 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -12.072 -2.296 -10.725 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -10.477 -3.011 -10.603 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -11.700 -6.228 -9.702 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -10.319 -5.229 -10.168 1.00 0.00 H new ATOM 706 N THR A 45 -9.219 -1.406 -7.516 1.00 0.00 N ATOM 707 CA THR A 45 -7.975 -1.521 -6.798 1.00 0.00 C ATOM 708 C THR A 45 -8.291 -1.251 -5.322 1.00 0.00 C ATOM 709 O THR A 45 -9.234 -0.511 -5.008 1.00 0.00 O ATOM 710 CB THR A 45 -6.908 -0.585 -7.394 1.00 0.00 C ATOM 711 OG1 THR A 45 -7.256 0.788 -7.395 1.00 0.00 O ATOM 712 CG2 THR A 45 -6.598 -0.958 -8.848 1.00 0.00 C ATOM 0 H THR A 45 -9.653 -0.489 -7.412 1.00 0.00 H new ATOM 0 HA THR A 45 -7.541 -2.517 -6.887 1.00 0.00 H new ATOM 0 HB THR A 45 -6.048 -0.723 -6.738 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.231 0.878 -7.347 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.841 -0.281 -9.244 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.226 -1.982 -8.890 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.506 -0.877 -9.446 1.00 0.00 H new ATOM 720 N PRO A 46 -7.570 -1.898 -4.406 1.00 0.00 N ATOM 721 CA PRO A 46 -7.722 -1.667 -2.983 1.00 0.00 C ATOM 722 C PRO A 46 -7.152 -0.307 -2.564 1.00 0.00 C ATOM 723 O PRO A 46 -6.024 0.046 -2.923 1.00 0.00 O ATOM 724 CB PRO A 46 -6.983 -2.827 -2.324 1.00 0.00 C ATOM 725 CG PRO A 46 -5.979 -3.295 -3.367 1.00 0.00 C ATOM 726 CD PRO A 46 -6.675 -3.009 -4.678 1.00 0.00 C ATOM 0 HA PRO A 46 -8.769 -1.631 -2.682 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.483 -2.508 -1.409 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.670 -3.628 -2.049 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.036 -2.755 -3.287 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.750 -4.355 -3.257 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.956 -2.753 -5.456 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.227 -3.881 -5.028 1.00 0.00 H new ATOM 734 N MET A 47 -7.910 0.449 -1.766 1.00 0.00 N ATOM 735 CA MET A 47 -7.427 1.678 -1.151 1.00 0.00 C ATOM 736 C MET A 47 -8.072 1.893 0.222 1.00 0.00 C ATOM 737 O MET A 47 -8.974 1.144 0.610 1.00 0.00 O ATOM 738 CB MET A 47 -7.639 2.867 -2.102 1.00 0.00 C ATOM 739 CG MET A 47 -9.110 3.240 -2.317 1.00 0.00 C ATOM 740 SD MET A 47 -9.383 4.974 -2.769 1.00 0.00 S ATOM 741 CE MET A 47 -8.904 5.787 -1.219 1.00 0.00 C ATOM 0 H MET A 47 -8.876 0.222 -1.531 1.00 0.00 H new ATOM 0 HA MET A 47 -6.354 1.594 -0.977 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.109 3.734 -1.707 1.00 0.00 H new ATOM 0 HB3 MET A 47 -7.190 2.632 -3.067 1.00 0.00 H new ATOM 0 HG2 MET A 47 -9.523 2.604 -3.100 1.00 0.00 H new ATOM 0 HG3 MET A 47 -9.665 3.023 -1.404 1.00 0.00 H new ATOM 0 HE1 MET A 47 -9.362 6.775 -1.170 1.00 0.00 H new ATOM 0 HE2 MET A 47 -9.243 5.188 -0.374 1.00 0.00 H new ATOM 0 HE3 MET A 47 -7.819 5.888 -1.181 1.00 0.00 H new ATOM 751 N PHE A 48 -7.607 2.915 0.948 1.00 0.00 N ATOM 752 CA PHE A 48 -8.081 3.276 2.280 1.00 0.00 C ATOM 753 C PHE A 48 -8.285 4.794 2.279 1.00 0.00 C ATOM 754 O PHE A 48 -7.555 5.502 1.578 1.00 0.00 O ATOM 755 CB PHE A 48 -7.083 2.879 3.398 1.00 0.00 C ATOM 756 CG PHE A 48 -6.418 1.514 3.364 1.00 0.00 C ATOM 757 CD1 PHE A 48 -5.602 1.105 2.287 1.00 0.00 C ATOM 758 CD2 PHE A 48 -6.544 0.681 4.494 1.00 0.00 C ATOM 759 CE1 PHE A 48 -5.015 -0.170 2.284 1.00 0.00 C ATOM 760 CE2 PHE A 48 -5.983 -0.607 4.477 1.00 0.00 C ATOM 761 CZ PHE A 48 -5.229 -1.029 3.366 1.00 0.00 C ATOM 0 H PHE A 48 -6.867 3.531 0.610 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.004 2.737 2.493 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.290 3.627 3.407 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.610 2.961 4.349 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.428 1.778 1.460 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.070 1.032 5.370 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.403 -0.485 1.452 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.130 -1.272 5.315 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.812 -2.025 3.349 1.00 0.00 H new ATOM 771 N SER A 49 -9.183 5.326 3.102 1.00 0.00 N ATOM 772 CA SER A 49 -9.438 6.754 3.263 1.00 0.00 C ATOM 773 C SER A 49 -9.234 7.106 4.730 1.00 0.00 C ATOM 774 O SER A 49 -9.650 6.327 5.586 1.00 0.00 O ATOM 775 CB SER A 49 -10.856 7.096 2.787 1.00 0.00 C ATOM 776 OG SER A 49 -11.850 6.342 3.450 1.00 0.00 O ATOM 0 H SER A 49 -9.777 4.751 3.699 1.00 0.00 H new ATOM 0 HA SER A 49 -8.749 7.341 2.655 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.043 8.158 2.948 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.927 6.919 1.714 1.00 0.00 H new ATOM 0 HG SER A 49 -12.734 6.598 3.113 1.00 0.00 H new ATOM 782 N ASN A 50 -8.605 8.239 5.065 1.00 0.00 N ATOM 783 CA ASN A 50 -8.720 8.743 6.435 1.00 0.00 C ATOM 784 C ASN A 50 -9.946 9.623 6.483 1.00 0.00 C ATOM 785 O ASN A 50 -9.915 10.781 6.078 1.00 0.00 O ATOM 786 CB ASN A 50 -7.471 9.456 6.936 1.00 0.00 C ATOM 787 CG ASN A 50 -7.746 10.058 8.309 1.00 0.00 C ATOM 788 OD1 ASN A 50 -7.893 9.324 9.278 1.00 0.00 O ATOM 789 ND2 ASN A 50 -7.817 11.370 8.435 1.00 0.00 N ATOM 0 H ASN A 50 -8.034 8.803 4.435 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.823 7.901 7.120 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.638 8.755 6.995 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.180 10.239 6.235 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.996 11.786 9.349 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.692 11.968 7.618 1.00 0.00 H new ATOM 796 N GLN A 51 -11.063 9.044 6.897 1.00 0.00 N ATOM 797 CA GLN A 51 -12.341 9.705 7.103 1.00 0.00 C ATOM 798 C GLN A 51 -12.995 10.225 5.808 1.00 0.00 C ATOM 799 O GLN A 51 -14.201 10.452 5.812 1.00 0.00 O ATOM 800 CB GLN A 51 -12.200 10.731 8.255 1.00 0.00 C ATOM 801 CG GLN A 51 -11.547 10.062 9.485 1.00 0.00 C ATOM 802 CD GLN A 51 -11.332 10.985 10.671 1.00 0.00 C ATOM 803 OE1 GLN A 51 -10.866 12.116 10.557 1.00 0.00 O ATOM 804 NE2 GLN A 51 -11.640 10.490 11.851 1.00 0.00 N ATOM 0 H GLN A 51 -11.103 8.047 7.109 1.00 0.00 H new ATOM 0 HA GLN A 51 -13.078 8.969 7.425 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -11.595 11.577 7.927 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.180 11.125 8.523 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.171 9.226 9.801 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -10.585 9.646 9.187 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -12.026 9.549 11.924 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -11.493 11.048 12.692 1.00 0.00 H new ATOM 813 N GLY A 52 -12.257 10.283 4.694 1.00 0.00 N ATOM 814 CA GLY A 52 -12.714 10.635 3.355 1.00 0.00 C ATOM 815 C GLY A 52 -11.592 10.662 2.300 1.00 0.00 C ATOM 816 O GLY A 52 -11.879 10.540 1.105 1.00 0.00 O ATOM 0 H GLY A 52 -11.260 10.070 4.710 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.476 9.921 3.042 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.190 11.615 3.390 1.00 0.00 H new ATOM 820 N THR A 53 -10.322 10.771 2.710 1.00 0.00 N ATOM 821 CA THR A 53 -9.183 11.105 1.850 1.00 0.00 C ATOM 822 C THR A 53 -8.687 9.951 0.959 1.00 0.00 C ATOM 823 O THR A 53 -9.329 8.900 0.845 1.00 0.00 O ATOM 824 CB THR A 53 -8.038 11.692 2.712 1.00 0.00 C ATOM 825 OG1 THR A 53 -8.135 11.368 4.078 1.00 0.00 O ATOM 826 CG2 THR A 53 -7.922 13.194 2.503 1.00 0.00 C ATOM 0 H THR A 53 -10.052 10.624 3.682 1.00 0.00 H new ATOM 0 HA THR A 53 -9.539 11.854 1.143 1.00 0.00 H new ATOM 0 HB THR A 53 -7.120 11.218 2.365 1.00 0.00 H new ATOM 0 HG1 THR A 53 -7.481 11.893 4.586 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.112 13.585 3.118 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.713 13.400 1.453 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.858 13.674 2.788 1.00 0.00 H new ATOM 834 N PHE A 54 -7.540 10.160 0.301 1.00 0.00 N ATOM 835 CA PHE A 54 -6.912 9.289 -0.680 1.00 0.00 C ATOM 836 C PHE A 54 -5.451 8.949 -0.295 1.00 0.00 C ATOM 837 O PHE A 54 -4.613 8.652 -1.145 1.00 0.00 O ATOM 838 CB PHE A 54 -7.049 9.992 -2.042 1.00 0.00 C ATOM 839 CG PHE A 54 -6.661 9.157 -3.238 1.00 0.00 C ATOM 840 CD1 PHE A 54 -7.504 8.117 -3.663 1.00 0.00 C ATOM 841 CD2 PHE A 54 -5.465 9.420 -3.929 1.00 0.00 C ATOM 842 CE1 PHE A 54 -7.129 7.317 -4.752 1.00 0.00 C ATOM 843 CE2 PHE A 54 -5.108 8.639 -5.039 1.00 0.00 C ATOM 844 CZ PHE A 54 -5.929 7.575 -5.436 1.00 0.00 C ATOM 0 H PHE A 54 -6.993 11.006 0.457 1.00 0.00 H new ATOM 0 HA PHE A 54 -7.403 8.317 -0.724 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -8.083 10.314 -2.164 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.434 10.892 -2.032 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.438 7.934 -3.153 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.820 10.224 -3.605 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -7.764 6.501 -5.065 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.203 8.857 -5.586 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.639 6.952 -6.269 1.00 0.00 H new ATOM 854 N ILE A 55 -5.122 9.011 1.001 1.00 0.00 N ATOM 855 CA ILE A 55 -3.767 8.981 1.563 1.00 0.00 C ATOM 856 C ILE A 55 -3.062 7.613 1.402 1.00 0.00 C ATOM 857 O ILE A 55 -1.905 7.487 1.789 1.00 0.00 O ATOM 858 CB ILE A 55 -3.812 9.545 3.022 1.00 0.00 C ATOM 859 CG1 ILE A 55 -4.186 11.047 2.961 1.00 0.00 C ATOM 860 CG2 ILE A 55 -2.528 9.339 3.853 1.00 0.00 C ATOM 861 CD1 ILE A 55 -4.553 11.681 4.306 1.00 0.00 C ATOM 0 H ILE A 55 -5.835 9.088 1.726 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.119 9.637 0.982 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.568 8.964 3.551 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.347 11.597 2.535 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.027 11.169 2.278 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.665 9.766 4.846 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.319 8.273 3.942 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.691 9.832 3.358 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.799 12.733 4.158 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.414 11.163 4.729 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.708 11.599 4.990 1.00 0.00 H new ATOM 873 N ILE A 56 -3.684 6.569 0.844 1.00 0.00 N ATOM 874 CA ILE A 56 -3.033 5.320 0.466 1.00 0.00 C ATOM 875 C ILE A 56 -3.905 4.569 -0.550 1.00 0.00 C ATOM 876 O ILE A 56 -5.132 4.555 -0.432 1.00 0.00 O ATOM 877 CB ILE A 56 -2.780 4.490 1.746 1.00 0.00 C ATOM 878 CG1 ILE A 56 -2.260 3.074 1.432 1.00 0.00 C ATOM 879 CG2 ILE A 56 -4.026 4.452 2.650 1.00 0.00 C ATOM 880 CD1 ILE A 56 -1.528 2.522 2.644 1.00 0.00 C ATOM 0 H ILE A 56 -4.683 6.575 0.639 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.073 5.511 -0.014 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.989 4.997 2.299 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.091 2.420 1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.591 3.103 0.572 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.812 3.860 3.540 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.293 5.467 2.945 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.857 4.002 2.106 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.160 1.520 2.422 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.687 3.171 2.888 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.211 2.478 3.492 1.00 0.00 H new ATOM 892 N GLY A 57 -3.273 3.863 -1.489 1.00 0.00 N ATOM 893 CA GLY A 57 -3.900 2.864 -2.341 1.00 0.00 C ATOM 894 C GLY A 57 -2.806 2.140 -3.113 1.00 0.00 C ATOM 895 O GLY A 57 -1.773 2.744 -3.416 1.00 0.00 O ATOM 0 H GLY A 57 -2.278 3.978 -1.680 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.472 2.157 -1.740 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.601 3.337 -3.029 1.00 0.00 H new ATOM 899 N PHE A 58 -3.011 0.861 -3.433 1.00 0.00 N ATOM 900 CA PHE A 58 -2.033 0.043 -4.143 1.00 0.00 C ATOM 901 C PHE A 58 -2.746 -0.915 -5.090 1.00 0.00 C ATOM 902 O PHE A 58 -3.955 -1.130 -4.982 1.00 0.00 O ATOM 903 CB PHE A 58 -1.107 -0.698 -3.155 1.00 0.00 C ATOM 904 CG PHE A 58 -1.761 -1.493 -2.042 1.00 0.00 C ATOM 905 CD1 PHE A 58 -2.261 -2.786 -2.280 1.00 0.00 C ATOM 906 CD2 PHE A 58 -1.800 -0.969 -0.739 1.00 0.00 C ATOM 907 CE1 PHE A 58 -2.918 -3.495 -1.260 1.00 0.00 C ATOM 908 CE2 PHE A 58 -2.409 -1.697 0.295 1.00 0.00 C ATOM 909 CZ PHE A 58 -3.014 -2.939 0.025 1.00 0.00 C ATOM 0 H PHE A 58 -3.870 0.361 -3.203 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.395 0.693 -4.742 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.479 -1.379 -3.729 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.445 0.038 -2.698 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.139 -3.237 -3.254 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.361 -0.004 -0.533 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.348 -4.465 -1.464 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.413 -1.303 1.301 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.550 -3.462 0.803 1.00 0.00 H new ATOM 919 N SER A 59 -2.017 -1.534 -6.017 1.00 0.00 N ATOM 920 CA SER A 59 -2.581 -2.572 -6.859 1.00 0.00 C ATOM 921 C SER A 59 -1.450 -3.516 -7.218 1.00 0.00 C ATOM 922 O SER A 59 -0.306 -3.092 -7.398 1.00 0.00 O ATOM 923 CB SER A 59 -3.332 -1.937 -8.040 1.00 0.00 C ATOM 924 OG SER A 59 -3.433 -2.767 -9.179 1.00 0.00 O ATOM 0 H SER A 59 -1.034 -1.330 -6.199 1.00 0.00 H new ATOM 0 HA SER A 59 -3.343 -3.169 -6.358 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.336 -1.665 -7.713 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.827 -1.013 -8.322 1.00 0.00 H new ATOM 0 HG SER A 59 -3.923 -2.296 -9.885 1.00 0.00 H new ATOM 930 N THR A 60 -1.760 -4.800 -7.335 1.00 0.00 N ATOM 931 CA THR A 60 -0.812 -5.782 -7.802 1.00 0.00 C ATOM 932 C THR A 60 -0.431 -5.411 -9.234 1.00 0.00 C ATOM 933 O THR A 60 -1.237 -4.846 -9.990 1.00 0.00 O ATOM 934 CB THR A 60 -1.388 -7.199 -7.663 1.00 0.00 C ATOM 935 OG1 THR A 60 -2.506 -7.416 -8.493 1.00 0.00 O ATOM 936 CG2 THR A 60 -1.788 -7.511 -6.220 1.00 0.00 C ATOM 0 H THR A 60 -2.678 -5.182 -7.107 1.00 0.00 H new ATOM 0 HA THR A 60 0.094 -5.783 -7.196 1.00 0.00 H new ATOM 0 HB THR A 60 -0.585 -7.866 -7.975 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.231 -6.811 -8.230 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.191 -8.522 -6.165 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.913 -7.433 -5.575 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.546 -6.800 -5.891 1.00 0.00 H new ATOM 944 N SER A 61 0.811 -5.668 -9.602 1.00 0.00 N ATOM 945 CA SER A 61 1.347 -5.404 -10.919 1.00 0.00 C ATOM 946 C SER A 61 1.985 -6.704 -11.407 1.00 0.00 C ATOM 947 O SER A 61 2.068 -7.701 -10.678 1.00 0.00 O ATOM 948 CB SER A 61 2.362 -4.255 -10.866 1.00 0.00 C ATOM 949 OG SER A 61 2.114 -3.295 -9.852 1.00 0.00 O ATOM 0 H SER A 61 1.495 -6.080 -8.968 1.00 0.00 H new ATOM 0 HA SER A 61 0.565 -5.090 -11.610 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.357 -4.673 -10.716 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.370 -3.750 -11.832 1.00 0.00 H new ATOM 0 HG SER A 61 2.804 -2.600 -9.884 1.00 0.00 H new ATOM 955 N LYS A 62 2.444 -6.708 -12.655 1.00 0.00 N ATOM 956 CA LYS A 62 2.720 -7.939 -13.373 1.00 0.00 C ATOM 957 C LYS A 62 3.769 -8.801 -12.669 1.00 0.00 C ATOM 958 O LYS A 62 3.595 -10.015 -12.614 1.00 0.00 O ATOM 959 CB LYS A 62 3.058 -7.585 -14.831 1.00 0.00 C ATOM 960 CG LYS A 62 2.859 -8.796 -15.743 1.00 0.00 C ATOM 961 CD LYS A 62 2.732 -8.447 -17.228 1.00 0.00 C ATOM 962 CE LYS A 62 4.034 -7.867 -17.793 1.00 0.00 C ATOM 963 NZ LYS A 62 4.322 -8.392 -19.143 1.00 0.00 N ATOM 0 H LYS A 62 2.633 -5.861 -13.191 1.00 0.00 H new ATOM 0 HA LYS A 62 1.835 -8.575 -13.382 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.425 -6.763 -15.167 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.090 -7.240 -14.897 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.699 -9.478 -15.612 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.963 -9.330 -15.429 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.459 -9.341 -17.789 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.925 -7.727 -17.364 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.962 -6.780 -17.832 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.861 -8.108 -17.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.209 -7.979 -19.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.415 -9.427 -19.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.545 -8.141 -19.786 1.00 0.00 H new ATOM 977 N HIS A 63 4.820 -8.205 -12.093 1.00 0.00 N ATOM 978 CA HIS A 63 5.840 -8.911 -11.302 1.00 0.00 C ATOM 979 C HIS A 63 6.262 -8.141 -10.035 1.00 0.00 C ATOM 980 O HIS A 63 7.275 -8.461 -9.410 1.00 0.00 O ATOM 981 CB HIS A 63 7.027 -9.303 -12.201 1.00 0.00 C ATOM 982 CG HIS A 63 6.793 -10.619 -12.904 1.00 0.00 C ATOM 983 ND1 HIS A 63 7.271 -11.847 -12.502 1.00 0.00 N ATOM 984 CD2 HIS A 63 6.039 -10.818 -14.027 1.00 0.00 C ATOM 985 CE1 HIS A 63 6.809 -12.769 -13.364 1.00 0.00 C ATOM 986 NE2 HIS A 63 6.045 -12.188 -14.308 1.00 0.00 N ATOM 0 H HIS A 63 4.990 -7.202 -12.164 1.00 0.00 H new ATOM 0 HA HIS A 63 5.394 -9.830 -10.922 1.00 0.00 H new ATOM 0 HB2 HIS A 63 7.195 -8.521 -12.942 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.932 -9.370 -11.598 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.530 -10.054 -14.595 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.021 -13.827 -13.307 1.00 0.00 H new ATOM 0 HE2 HIS A 63 5.565 -12.655 -15.077 1.00 0.00 H new ATOM 994 N HIS A 64 5.495 -7.125 -9.641 1.00 0.00 N ATOM 995 CA HIS A 64 5.756 -6.283 -8.482 1.00 0.00 C ATOM 996 C HIS A 64 4.417 -5.775 -7.928 1.00 0.00 C ATOM 997 O HIS A 64 3.374 -6.058 -8.514 1.00 0.00 O ATOM 998 CB HIS A 64 6.729 -5.150 -8.886 1.00 0.00 C ATOM 999 CG HIS A 64 6.453 -4.487 -10.205 1.00 0.00 C ATOM 1000 ND1 HIS A 64 7.166 -4.652 -11.373 1.00 0.00 N ATOM 1001 CD2 HIS A 64 5.496 -3.544 -10.430 1.00 0.00 C ATOM 1002 CE1 HIS A 64 6.637 -3.831 -12.293 1.00 0.00 C ATOM 1003 NE2 HIS A 64 5.607 -3.150 -11.768 1.00 0.00 N ATOM 0 H HIS A 64 4.646 -6.859 -10.140 1.00 0.00 H new ATOM 0 HA HIS A 64 6.242 -6.841 -7.681 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.711 -4.387 -8.107 1.00 0.00 H new ATOM 0 HB3 HIS A 64 7.740 -5.557 -8.910 1.00 0.00 H new ATOM 0 HD2 HIS A 64 4.784 -3.170 -9.709 1.00 0.00 H new ATOM 0 HE1 HIS A 64 6.989 -3.733 -13.309 1.00 0.00 H new ATOM 0 HE2 HIS A 64 5.017 -2.474 -12.252 1.00 0.00 H new ATOM 1011 N LEU A 65 4.433 -5.035 -6.818 1.00 0.00 N ATOM 1012 CA LEU A 65 3.298 -4.242 -6.318 1.00 0.00 C ATOM 1013 C LEU A 65 3.629 -2.764 -6.565 1.00 0.00 C ATOM 1014 O LEU A 65 4.806 -2.426 -6.737 1.00 0.00 O ATOM 1015 CB LEU A 65 3.074 -4.547 -4.813 1.00 0.00 C ATOM 1016 CG LEU A 65 1.626 -4.939 -4.432 1.00 0.00 C ATOM 1017 CD1 LEU A 65 1.585 -5.661 -3.084 1.00 0.00 C ATOM 1018 CD2 LEU A 65 0.642 -3.799 -4.230 1.00 0.00 C ATOM 0 H LEU A 65 5.258 -4.966 -6.222 1.00 0.00 H new ATOM 0 HA LEU A 65 2.371 -4.493 -6.834 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.743 -5.356 -4.519 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.361 -3.670 -4.234 1.00 0.00 H new ATOM 0 HG LEU A 65 1.333 -5.536 -5.295 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.555 -5.924 -2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.188 -6.568 -3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.983 -5.007 -2.309 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.335 -4.204 -3.967 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.995 -3.152 -3.427 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.560 -3.222 -5.151 1.00 0.00 H new ATOM 1030 N SER A 66 2.633 -1.876 -6.543 1.00 0.00 N ATOM 1031 CA SER A 66 2.798 -0.425 -6.612 1.00 0.00 C ATOM 1032 C SER A 66 2.268 0.189 -5.316 1.00 0.00 C ATOM 1033 O SER A 66 1.072 0.083 -5.056 1.00 0.00 O ATOM 1034 CB SER A 66 2.053 0.149 -7.835 1.00 0.00 C ATOM 1035 OG SER A 66 0.930 -0.603 -8.262 1.00 0.00 O ATOM 0 H SER A 66 1.655 -2.159 -6.474 1.00 0.00 H new ATOM 0 HA SER A 66 3.854 -0.180 -6.726 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.725 1.161 -7.599 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.755 0.227 -8.665 1.00 0.00 H new ATOM 0 HG SER A 66 1.234 -1.413 -8.722 1.00 0.00 H new ATOM 1041 N VAL A 67 3.117 0.812 -4.492 1.00 0.00 N ATOM 1042 CA VAL A 67 2.774 1.247 -3.136 1.00 0.00 C ATOM 1043 C VAL A 67 3.224 2.696 -2.937 1.00 0.00 C ATOM 1044 O VAL A 67 4.327 3.065 -3.343 1.00 0.00 O ATOM 1045 CB VAL A 67 3.426 0.288 -2.117 1.00 0.00 C ATOM 1046 CG1 VAL A 67 3.079 0.632 -0.664 1.00 0.00 C ATOM 1047 CG2 VAL A 67 2.942 -1.152 -2.345 1.00 0.00 C ATOM 0 H VAL A 67 4.078 1.031 -4.754 1.00 0.00 H new ATOM 0 HA VAL A 67 1.695 1.214 -2.982 1.00 0.00 H new ATOM 0 HB VAL A 67 4.500 0.390 -2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.567 -0.078 0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.424 1.641 -0.437 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.999 0.578 -0.525 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.412 -1.813 -1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.859 -1.195 -2.228 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.211 -1.471 -3.352 1.00 0.00 H new ATOM 1057 N SER A 68 2.375 3.521 -2.323 1.00 0.00 N ATOM 1058 CA SER A 68 2.668 4.902 -1.939 1.00 0.00 C ATOM 1059 C SER A 68 1.575 5.354 -0.959 1.00 0.00 C ATOM 1060 O SER A 68 0.532 4.691 -0.877 1.00 0.00 O ATOM 1061 CB SER A 68 2.664 5.759 -3.217 1.00 0.00 C ATOM 1062 OG SER A 68 3.191 7.057 -3.036 1.00 0.00 O ATOM 0 H SER A 68 1.429 3.235 -2.070 1.00 0.00 H new ATOM 0 HA SER A 68 3.640 5.001 -1.455 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.240 5.247 -3.988 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.641 5.841 -3.585 1.00 0.00 H new ATOM 0 HG SER A 68 2.588 7.714 -3.442 1.00 0.00 H new ATOM 1068 N PRO A 69 1.770 6.423 -0.167 1.00 0.00 N ATOM 1069 CA PRO A 69 0.633 7.135 0.380 1.00 0.00 C ATOM 1070 C PRO A 69 0.069 8.133 -0.637 1.00 0.00 C ATOM 1071 O PRO A 69 -1.059 7.945 -1.080 1.00 0.00 O ATOM 1072 CB PRO A 69 1.132 7.822 1.655 1.00 0.00 C ATOM 1073 CG PRO A 69 2.641 7.944 1.443 1.00 0.00 C ATOM 1074 CD PRO A 69 2.971 6.710 0.594 1.00 0.00 C ATOM 0 HA PRO A 69 -0.191 6.460 0.612 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.668 8.799 1.790 1.00 0.00 H new ATOM 0 HB3 PRO A 69 0.900 7.233 2.543 1.00 0.00 H new ATOM 0 HG2 PRO A 69 2.903 8.869 0.929 1.00 0.00 H new ATOM 0 HG3 PRO A 69 3.183 7.940 2.389 1.00 0.00 H new ATOM 0 HD2 PRO A 69 3.816 6.904 -0.067 1.00 0.00 H new ATOM 0 HD3 PRO A 69 3.247 5.864 1.224 1.00 0.00 H new ATOM 1082 N GLU A 70 0.872 9.080 -1.139 1.00 0.00 N ATOM 1083 CA GLU A 70 0.467 10.025 -2.181 1.00 0.00 C ATOM 1084 C GLU A 70 1.721 10.364 -2.982 1.00 0.00 C ATOM 1085 O GLU A 70 2.073 9.640 -3.912 1.00 0.00 O ATOM 1086 CB GLU A 70 -0.189 11.298 -1.590 1.00 0.00 C ATOM 1087 CG GLU A 70 -1.558 11.046 -0.950 1.00 0.00 C ATOM 1088 CD GLU A 70 -2.273 12.339 -0.548 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -1.787 13.039 0.362 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -3.364 12.630 -1.093 1.00 0.00 O ATOM 0 H GLU A 70 1.834 9.211 -0.827 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.293 9.577 -2.821 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.478 11.726 -0.842 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.299 12.040 -2.381 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.184 10.492 -1.649 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.432 10.417 -0.069 1.00 0.00 H new ATOM 1097 N GLU A 71 2.490 11.354 -2.516 1.00 0.00 N ATOM 1098 CA GLU A 71 3.660 11.912 -3.196 1.00 0.00 C ATOM 1099 C GLU A 71 4.863 12.056 -2.241 1.00 0.00 C ATOM 1100 O GLU A 71 5.973 11.680 -2.617 1.00 0.00 O ATOM 1101 CB GLU A 71 3.263 13.211 -3.928 1.00 0.00 C ATOM 1102 CG GLU A 71 2.707 14.314 -3.009 1.00 0.00 C ATOM 1103 CD GLU A 71 2.189 15.572 -3.728 1.00 0.00 C ATOM 1104 OE1 GLU A 71 2.198 15.630 -4.981 1.00 0.00 O ATOM 1105 OE2 GLU A 71 1.781 16.523 -3.012 1.00 0.00 O ATOM 0 H GLU A 71 2.306 11.805 -1.620 1.00 0.00 H new ATOM 0 HA GLU A 71 4.007 11.217 -3.960 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.136 13.599 -4.454 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.515 12.973 -4.684 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.894 13.894 -2.416 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.490 14.611 -2.311 1.00 0.00 H new ATOM 1112 N ILE A 72 4.646 12.456 -0.976 1.00 0.00 N ATOM 1113 CA ILE A 72 5.704 12.693 0.021 1.00 0.00 C ATOM 1114 C ILE A 72 6.638 11.500 0.193 1.00 0.00 C ATOM 1115 O ILE A 72 7.849 11.667 0.352 1.00 0.00 O ATOM 1116 CB ILE A 72 5.081 13.121 1.373 1.00 0.00 C ATOM 1117 CG1 ILE A 72 6.117 13.594 2.418 1.00 0.00 C ATOM 1118 CG2 ILE A 72 4.262 12.006 2.065 1.00 0.00 C ATOM 1119 CD1 ILE A 72 6.833 14.910 2.164 1.00 0.00 C ATOM 0 H ILE A 72 3.709 12.627 -0.610 1.00 0.00 H new ATOM 0 HA ILE A 72 6.324 13.507 -0.356 1.00 0.00 H new ATOM 0 HB ILE A 72 4.433 13.945 1.074 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.611 13.669 3.380 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.873 12.815 2.515 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.858 12.381 3.005 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.443 11.699 1.415 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.907 11.150 2.263 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.527 15.110 2.980 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.384 14.849 1.225 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.102 15.716 2.104 1.00 0.00 H new ATOM 1131 N GLY A 73 6.078 10.293 0.143 1.00 0.00 N ATOM 1132 CA GLY A 73 6.785 9.029 0.271 1.00 0.00 C ATOM 1133 C GLY A 73 7.951 8.902 -0.703 1.00 0.00 C ATOM 1134 O GLY A 73 8.861 8.118 -0.452 1.00 0.00 O ATOM 0 H GLY A 73 5.075 10.168 0.006 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.157 8.928 1.291 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.087 8.209 0.103 1.00 0.00 H new ATOM 1138 N ILE A 74 7.939 9.661 -1.798 1.00 0.00 N ATOM 1139 CA ILE A 74 8.880 9.563 -2.902 1.00 0.00 C ATOM 1140 C ILE A 74 9.635 10.883 -3.084 1.00 0.00 C ATOM 1141 O ILE A 74 10.571 10.951 -3.875 1.00 0.00 O ATOM 1142 CB ILE A 74 8.110 9.158 -4.170 1.00 0.00 C ATOM 1143 CG1 ILE A 74 7.044 8.062 -3.930 1.00 0.00 C ATOM 1144 CG2 ILE A 74 9.064 8.677 -5.271 1.00 0.00 C ATOM 1145 CD1 ILE A 74 7.578 6.714 -3.421 1.00 0.00 C ATOM 0 H ILE A 74 7.241 10.391 -1.942 1.00 0.00 H new ATOM 0 HA ILE A 74 9.630 8.801 -2.691 1.00 0.00 H new ATOM 0 HB ILE A 74 7.592 10.064 -4.483 1.00 0.00 H new ATOM 0 HG12 ILE A 74 6.317 8.439 -3.211 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.509 7.891 -4.864 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.489 8.398 -6.154 1.00 0.00 H new ATOM 0 HG22 ILE A 74 9.757 9.478 -5.527 1.00 0.00 H new ATOM 0 HG23 ILE A 74 9.624 7.813 -4.915 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.748 6.021 -3.287 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.280 6.303 -4.147 1.00 0.00 H new ATOM 0 HD13 ILE A 74 8.086 6.860 -2.468 1.00 0.00 H new ATOM 1157 N SER A 75 9.277 11.921 -2.332 1.00 0.00 N ATOM 1158 CA SER A 75 10.076 13.122 -2.246 1.00 0.00 C ATOM 1159 C SER A 75 10.980 13.016 -1.021 1.00 0.00 C ATOM 1160 O SER A 75 12.202 12.938 -1.145 1.00 0.00 O ATOM 1161 CB SER A 75 9.145 14.331 -2.191 1.00 0.00 C ATOM 1162 OG SER A 75 8.473 14.459 -3.431 1.00 0.00 O ATOM 0 H SER A 75 8.426 11.945 -1.770 1.00 0.00 H new ATOM 0 HA SER A 75 10.716 13.244 -3.120 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.423 14.212 -1.383 1.00 0.00 H new ATOM 0 HB3 SER A 75 9.716 15.235 -1.978 1.00 0.00 H new ATOM 0 HG SER A 75 7.873 15.233 -3.399 1.00 0.00 H new ATOM 1168 N GLN A 76 10.387 12.966 0.171 1.00 0.00 N ATOM 1169 CA GLN A 76 11.083 12.897 1.434 1.00 0.00 C ATOM 1170 C GLN A 76 11.575 11.473 1.596 1.00 0.00 C ATOM 1171 O GLN A 76 12.778 11.212 1.586 1.00 0.00 O ATOM 1172 CB GLN A 76 10.109 13.338 2.545 1.00 0.00 C ATOM 1173 CG GLN A 76 10.471 12.925 3.981 1.00 0.00 C ATOM 1174 CD GLN A 76 11.964 13.050 4.275 1.00 0.00 C ATOM 1175 OE1 GLN A 76 12.602 14.041 3.915 1.00 0.00 O ATOM 1176 NE2 GLN A 76 12.576 12.034 4.855 1.00 0.00 N ATOM 0 H GLN A 76 9.372 12.973 0.276 1.00 0.00 H new ATOM 0 HA GLN A 76 11.947 13.560 1.486 1.00 0.00 H new ATOM 0 HB2 GLN A 76 10.026 14.424 2.514 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.123 12.936 2.313 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.914 13.545 4.684 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.158 11.894 4.147 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.041 11.217 5.150 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.584 12.066 5.008 1.00 0.00 H new ATOM 1185 N PHE A 77 10.628 10.546 1.740 1.00 0.00 N ATOM 1186 CA PHE A 77 10.956 9.215 2.222 1.00 0.00 C ATOM 1187 C PHE A 77 11.706 8.400 1.158 1.00 0.00 C ATOM 1188 O PHE A 77 12.224 7.325 1.474 1.00 0.00 O ATOM 1189 CB PHE A 77 9.731 8.497 2.795 1.00 0.00 C ATOM 1190 CG PHE A 77 8.956 9.259 3.861 1.00 0.00 C ATOM 1191 CD1 PHE A 77 8.004 10.220 3.479 1.00 0.00 C ATOM 1192 CD2 PHE A 77 9.135 8.984 5.232 1.00 0.00 C ATOM 1193 CE1 PHE A 77 7.259 10.908 4.441 1.00 0.00 C ATOM 1194 CE2 PHE A 77 8.409 9.700 6.204 1.00 0.00 C ATOM 1195 CZ PHE A 77 7.486 10.687 5.796 1.00 0.00 C ATOM 0 H PHE A 77 9.641 10.694 1.531 1.00 0.00 H new ATOM 0 HA PHE A 77 11.647 9.322 3.058 1.00 0.00 H new ATOM 0 HB2 PHE A 77 9.052 8.266 1.974 1.00 0.00 H new ATOM 0 HB3 PHE A 77 10.055 7.546 3.218 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.847 10.429 2.431 1.00 0.00 H new ATOM 0 HD2 PHE A 77 9.833 8.219 5.539 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.503 11.615 4.131 1.00 0.00 H new ATOM 0 HE2 PHE A 77 8.558 9.495 7.254 1.00 0.00 H new ATOM 0 HZ PHE A 77 6.956 11.270 6.535 1.00 0.00 H new ATOM 1205 N ALA A 78 11.844 8.934 -0.069 1.00 0.00 N ATOM 1206 CA ALA A 78 12.628 8.315 -1.129 1.00 0.00 C ATOM 1207 C ALA A 78 14.044 7.977 -0.686 1.00 0.00 C ATOM 1208 O ALA A 78 14.562 6.959 -1.128 1.00 0.00 O ATOM 1209 CB ALA A 78 12.702 9.207 -2.367 1.00 0.00 C ATOM 0 H ALA A 78 11.408 9.814 -0.345 1.00 0.00 H new ATOM 0 HA ALA A 78 12.109 7.388 -1.375 1.00 0.00 H new ATOM 0 HB1 ALA A 78 13.295 8.713 -3.137 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.696 9.389 -2.745 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.168 10.156 -2.104 1.00 0.00 H new ATOM 1215 N ASP A 79 14.662 8.781 0.182 1.00 0.00 N ATOM 1216 CA ASP A 79 16.041 8.544 0.606 1.00 0.00 C ATOM 1217 C ASP A 79 16.135 7.209 1.337 1.00 0.00 C ATOM 1218 O ASP A 79 17.033 6.401 1.093 1.00 0.00 O ATOM 1219 CB ASP A 79 16.528 9.644 1.556 1.00 0.00 C ATOM 1220 CG ASP A 79 16.513 11.019 0.916 1.00 0.00 C ATOM 1221 OD1 ASP A 79 17.128 11.214 -0.152 1.00 0.00 O ATOM 1222 OD2 ASP A 79 15.924 11.942 1.521 1.00 0.00 O ATOM 0 H ASP A 79 14.228 9.602 0.604 1.00 0.00 H new ATOM 0 HA ASP A 79 16.664 8.539 -0.288 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.898 9.655 2.446 1.00 0.00 H new ATOM 0 HB3 ASP A 79 17.541 9.412 1.885 1.00 0.00 H new ATOM 1227 N ALA A 80 15.214 6.989 2.273 1.00 0.00 N ATOM 1228 CA ALA A 80 15.212 5.830 3.145 1.00 0.00 C ATOM 1229 C ALA A 80 14.656 4.591 2.415 1.00 0.00 C ATOM 1230 O ALA A 80 14.995 3.459 2.771 1.00 0.00 O ATOM 1231 CB ALA A 80 14.445 6.210 4.416 1.00 0.00 C ATOM 0 H ALA A 80 14.437 7.627 2.445 1.00 0.00 H new ATOM 0 HA ALA A 80 16.223 5.544 3.433 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.424 5.359 5.096 1.00 0.00 H new ATOM 0 HB2 ALA A 80 14.940 7.051 4.902 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.425 6.491 4.155 1.00 0.00 H new ATOM 1237 N ILE A 81 13.857 4.790 1.358 1.00 0.00 N ATOM 1238 CA ILE A 81 13.515 3.753 0.384 1.00 0.00 C ATOM 1239 C ILE A 81 14.777 3.385 -0.418 1.00 0.00 C ATOM 1240 O ILE A 81 15.072 2.203 -0.584 1.00 0.00 O ATOM 1241 CB ILE A 81 12.353 4.223 -0.533 1.00 0.00 C ATOM 1242 CG1 ILE A 81 11.036 4.438 0.249 1.00 0.00 C ATOM 1243 CG2 ILE A 81 12.087 3.223 -1.671 1.00 0.00 C ATOM 1244 CD1 ILE A 81 9.943 5.089 -0.608 1.00 0.00 C ATOM 0 H ILE A 81 13.425 5.691 1.155 1.00 0.00 H new ATOM 0 HA ILE A 81 13.162 2.860 0.899 1.00 0.00 H new ATOM 0 HB ILE A 81 12.677 5.177 -0.950 1.00 0.00 H new ATOM 0 HG12 ILE A 81 10.678 3.478 0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 81 11.232 5.064 1.119 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.267 3.587 -2.291 1.00 0.00 H new ATOM 0 HG22 ILE A 81 12.984 3.119 -2.281 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.820 2.254 -1.249 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.040 5.217 -0.011 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.287 6.062 -0.959 1.00 0.00 H new ATOM 0 HD13 ILE A 81 9.724 4.451 -1.464 1.00 0.00 H new ATOM 1256 N ALA A 82 15.538 4.367 -0.911 1.00 0.00 N ATOM 1257 CA ALA A 82 16.696 4.161 -1.776 1.00 0.00 C ATOM 1258 C ALA A 82 17.758 3.322 -1.079 1.00 0.00 C ATOM 1259 O ALA A 82 18.380 2.462 -1.707 1.00 0.00 O ATOM 1260 CB ALA A 82 17.314 5.505 -2.154 1.00 0.00 C ATOM 0 H ALA A 82 15.358 5.351 -0.712 1.00 0.00 H new ATOM 0 HA ALA A 82 16.352 3.638 -2.668 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.177 5.340 -2.799 1.00 0.00 H new ATOM 0 HB2 ALA A 82 16.576 6.109 -2.682 1.00 0.00 H new ATOM 0 HB3 ALA A 82 17.631 6.027 -1.251 1.00 0.00 H new ATOM 1266 N GLN A 83 17.960 3.575 0.215 1.00 0.00 N ATOM 1267 CA GLN A 83 18.843 2.847 1.123 1.00 0.00 C ATOM 1268 C GLN A 83 18.429 1.395 1.314 1.00 0.00 C ATOM 1269 O GLN A 83 19.229 0.613 1.829 1.00 0.00 O ATOM 1270 CB GLN A 83 18.801 3.548 2.477 1.00 0.00 C ATOM 1271 CG GLN A 83 19.665 4.817 2.437 1.00 0.00 C ATOM 1272 CD GLN A 83 19.338 5.832 3.527 1.00 0.00 C ATOM 1273 OE1 GLN A 83 19.500 5.600 4.720 1.00 0.00 O ATOM 1274 NE2 GLN A 83 18.874 7.003 3.123 1.00 0.00 N ATOM 0 H GLN A 83 17.480 4.343 0.685 1.00 0.00 H new ATOM 0 HA GLN A 83 19.843 2.843 0.690 1.00 0.00 H new ATOM 0 HB2 GLN A 83 17.773 3.806 2.731 1.00 0.00 H new ATOM 0 HB3 GLN A 83 19.163 2.876 3.255 1.00 0.00 H new ATOM 0 HG2 GLN A 83 20.713 4.532 2.525 1.00 0.00 H new ATOM 0 HG3 GLN A 83 19.545 5.294 1.464 1.00 0.00 H new ATOM 0 HE21 GLN A 83 18.744 7.184 2.128 1.00 0.00 H new ATOM 0 HE22 GLN A 83 18.647 7.725 3.807 1.00 0.00 H new ATOM 1283 N ALA A 84 17.203 1.028 0.936 1.00 0.00 N ATOM 1284 CA ALA A 84 16.785 -0.357 0.941 1.00 0.00 C ATOM 1285 C ALA A 84 17.177 -1.072 -0.363 1.00 0.00 C ATOM 1286 O ALA A 84 17.112 -2.299 -0.445 1.00 0.00 O ATOM 1287 CB ALA A 84 15.272 -0.437 1.111 1.00 0.00 C ATOM 0 H ALA A 84 16.486 1.682 0.623 1.00 0.00 H new ATOM 0 HA ALA A 84 17.289 -0.851 1.772 1.00 0.00 H new ATOM 0 HB1 ALA A 84 14.961 -1.482 1.114 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.987 0.030 2.054 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.785 0.084 0.287 1.00 0.00 H new ATOM 1293 N GLY A 85 17.530 -0.302 -1.400 1.00 0.00 N ATOM 1294 CA GLY A 85 17.879 -0.752 -2.741 1.00 0.00 C ATOM 1295 C GLY A 85 16.848 -0.343 -3.792 1.00 0.00 C ATOM 1296 O GLY A 85 17.183 -0.264 -4.978 1.00 0.00 O ATOM 0 H GLY A 85 17.581 0.713 -1.313 1.00 0.00 H new ATOM 0 HA2 GLY A 85 18.851 -0.343 -3.015 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.979 -1.837 -2.740 1.00 0.00 H new ATOM 1300 N TYR A 86 15.608 -0.067 -3.376 1.00 0.00 N ATOM 1301 CA TYR A 86 14.491 0.218 -4.264 1.00 0.00 C ATOM 1302 C TYR A 86 14.633 1.622 -4.858 1.00 0.00 C ATOM 1303 O TYR A 86 14.513 2.616 -4.147 1.00 0.00 O ATOM 1304 CB TYR A 86 13.159 0.094 -3.501 1.00 0.00 C ATOM 1305 CG TYR A 86 12.982 -1.159 -2.666 1.00 0.00 C ATOM 1306 CD1 TYR A 86 13.100 -2.428 -3.261 1.00 0.00 C ATOM 1307 CD2 TYR A 86 12.701 -1.055 -1.289 1.00 0.00 C ATOM 1308 CE1 TYR A 86 12.962 -3.586 -2.477 1.00 0.00 C ATOM 1309 CE2 TYR A 86 12.581 -2.209 -0.499 1.00 0.00 C ATOM 1310 CZ TYR A 86 12.716 -3.484 -1.088 1.00 0.00 C ATOM 1311 OH TYR A 86 12.576 -4.588 -0.309 1.00 0.00 O ATOM 0 H TYR A 86 15.354 -0.036 -2.389 1.00 0.00 H new ATOM 0 HA TYR A 86 14.496 -0.508 -5.077 1.00 0.00 H new ATOM 0 HB2 TYR A 86 13.057 0.960 -2.846 1.00 0.00 H new ATOM 0 HB3 TYR A 86 12.344 0.143 -4.223 1.00 0.00 H new ATOM 0 HD1 TYR A 86 13.297 -2.512 -4.320 1.00 0.00 H new ATOM 0 HD2 TYR A 86 12.577 -0.081 -0.839 1.00 0.00 H new ATOM 0 HE1 TYR A 86 13.044 -4.559 -2.938 1.00 0.00 H new ATOM 0 HE2 TYR A 86 12.385 -2.121 0.559 1.00 0.00 H new ATOM 0 HH TYR A 86 12.432 -5.373 -0.877 1.00 0.00 H new ATOM 1321 N SER A 87 14.823 1.736 -6.171 1.00 0.00 N ATOM 1322 CA SER A 87 14.953 3.029 -6.856 1.00 0.00 C ATOM 1323 C SER A 87 13.650 3.817 -7.045 1.00 0.00 C ATOM 1324 O SER A 87 13.626 4.860 -7.694 1.00 0.00 O ATOM 1325 CB SER A 87 15.546 2.769 -8.227 1.00 0.00 C ATOM 1326 OG SER A 87 16.765 2.066 -8.111 1.00 0.00 O ATOM 0 H SER A 87 14.892 0.933 -6.796 1.00 0.00 H new ATOM 0 HA SER A 87 15.580 3.646 -6.212 1.00 0.00 H new ATOM 0 HB2 SER A 87 14.844 2.195 -8.831 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.712 3.714 -8.744 1.00 0.00 H new ATOM 0 HG SER A 87 17.135 1.904 -9.004 1.00 0.00 H new ATOM 1332 N ALA A 88 12.563 3.300 -6.488 1.00 0.00 N ATOM 1333 CA ALA A 88 11.193 3.794 -6.574 1.00 0.00 C ATOM 1334 C ALA A 88 10.783 4.113 -8.027 1.00 0.00 C ATOM 1335 O ALA A 88 11.279 3.504 -8.979 1.00 0.00 O ATOM 1336 CB ALA A 88 11.018 4.966 -5.590 1.00 0.00 C ATOM 0 H ALA A 88 12.620 2.456 -5.918 1.00 0.00 H new ATOM 0 HA ALA A 88 10.497 3.012 -6.271 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.996 5.341 -5.649 1.00 0.00 H new ATOM 0 HB2 ALA A 88 11.221 4.623 -4.576 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.713 5.765 -5.849 1.00 0.00 H new ATOM 1342 N THR A 89 9.807 4.998 -8.189 1.00 0.00 N ATOM 1343 CA THR A 89 9.448 5.714 -9.411 1.00 0.00 C ATOM 1344 C THR A 89 9.445 7.205 -9.035 1.00 0.00 C ATOM 1345 O THR A 89 9.963 7.557 -7.976 1.00 0.00 O ATOM 1346 CB THR A 89 8.104 5.207 -9.986 1.00 0.00 C ATOM 1347 OG1 THR A 89 7.010 5.547 -9.160 1.00 0.00 O ATOM 1348 CG2 THR A 89 8.070 3.692 -10.192 1.00 0.00 C ATOM 0 H THR A 89 9.199 5.255 -7.412 1.00 0.00 H new ATOM 0 HA THR A 89 10.159 5.541 -10.218 1.00 0.00 H new ATOM 0 HB THR A 89 8.020 5.704 -10.953 1.00 0.00 H new ATOM 0 HG1 THR A 89 7.164 5.203 -8.255 1.00 0.00 H new ATOM 0 HG21 THR A 89 7.101 3.402 -10.597 1.00 0.00 H new ATOM 0 HG22 THR A 89 8.856 3.402 -10.889 1.00 0.00 H new ATOM 0 HG23 THR A 89 8.229 3.191 -9.237 1.00 0.00 H new ATOM 1356 N LYS A 90 8.865 8.098 -9.841 1.00 0.00 N ATOM 1357 CA LYS A 90 8.697 9.498 -9.437 1.00 0.00 C ATOM 1358 C LYS A 90 7.626 9.645 -8.358 1.00 0.00 C ATOM 1359 O LYS A 90 7.722 10.555 -7.538 1.00 0.00 O ATOM 1360 CB LYS A 90 8.277 10.349 -10.639 1.00 0.00 C ATOM 1361 CG LYS A 90 9.283 10.362 -11.797 1.00 0.00 C ATOM 1362 CD LYS A 90 10.151 11.624 -11.857 1.00 0.00 C ATOM 1363 CE LYS A 90 11.034 11.823 -10.619 1.00 0.00 C ATOM 1364 NZ LYS A 90 11.795 13.083 -10.725 1.00 0.00 N ATOM 0 H LYS A 90 8.506 7.880 -10.770 1.00 0.00 H new ATOM 0 HA LYS A 90 9.656 9.835 -9.043 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.320 9.982 -11.011 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.116 11.374 -10.303 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.932 9.491 -11.710 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.740 10.262 -12.737 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.786 11.576 -12.742 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.505 12.494 -11.975 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.415 11.839 -9.722 1.00 0.00 H new ATOM 0 HE3 LYS A 90 11.721 10.983 -10.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.388 13.203 -9.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 12.400 13.053 -11.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.134 13.882 -10.801 1.00 0.00 H new ATOM 1378 N GLY A 91 6.589 8.803 -8.391 1.00 0.00 N ATOM 1379 CA GLY A 91 5.321 9.073 -7.719 1.00 0.00 C ATOM 1380 C GLY A 91 4.817 7.932 -6.835 1.00 0.00 C ATOM 1381 O GLY A 91 3.888 8.122 -6.055 1.00 0.00 O ATOM 0 H GLY A 91 6.609 7.912 -8.887 1.00 0.00 H new ATOM 0 HA2 GLY A 91 5.432 9.968 -7.107 1.00 0.00 H new ATOM 0 HA3 GLY A 91 4.565 9.294 -8.472 1.00 0.00 H new ATOM 1385 N LEU A 92 5.428 6.748 -6.914 1.00 0.00 N ATOM 1386 CA LEU A 92 5.228 5.645 -5.975 1.00 0.00 C ATOM 1387 C LEU A 92 6.504 4.822 -5.872 1.00 0.00 C ATOM 1388 O LEU A 92 7.450 5.071 -6.623 1.00 0.00 O ATOM 1389 CB LEU A 92 4.007 4.800 -6.367 1.00 0.00 C ATOM 1390 CG LEU A 92 3.979 4.136 -7.752 1.00 0.00 C ATOM 1391 CD1 LEU A 92 4.860 2.895 -7.912 1.00 0.00 C ATOM 1392 CD2 LEU A 92 2.531 3.706 -7.970 1.00 0.00 C ATOM 0 H LEU A 92 6.094 6.525 -7.654 1.00 0.00 H new ATOM 0 HA LEU A 92 5.013 6.047 -4.985 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.898 4.012 -5.621 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.126 5.437 -6.289 1.00 0.00 H new ATOM 0 HG LEU A 92 4.368 4.860 -8.469 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.763 2.509 -8.927 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.900 3.160 -7.722 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.545 2.131 -7.201 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.437 3.223 -8.943 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.238 3.006 -7.188 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.882 4.581 -7.936 1.00 0.00 H new ATOM 1404 N PHE A 93 6.547 3.817 -4.999 1.00 0.00 N ATOM 1405 CA PHE A 93 7.618 2.825 -5.015 1.00 0.00 C ATOM 1406 C PHE A 93 7.049 1.467 -5.405 1.00 0.00 C ATOM 1407 O PHE A 93 5.850 1.214 -5.286 1.00 0.00 O ATOM 1408 CB PHE A 93 8.416 2.814 -3.703 1.00 0.00 C ATOM 1409 CG PHE A 93 7.719 2.222 -2.493 1.00 0.00 C ATOM 1410 CD1 PHE A 93 7.845 0.847 -2.211 1.00 0.00 C ATOM 1411 CD2 PHE A 93 6.981 3.047 -1.621 1.00 0.00 C ATOM 1412 CE1 PHE A 93 7.225 0.302 -1.073 1.00 0.00 C ATOM 1413 CE2 PHE A 93 6.364 2.499 -0.484 1.00 0.00 C ATOM 1414 CZ PHE A 93 6.485 1.126 -0.213 1.00 0.00 C ATOM 0 H PHE A 93 5.849 3.669 -4.270 1.00 0.00 H new ATOM 0 HA PHE A 93 8.350 3.098 -5.775 1.00 0.00 H new ATOM 0 HB2 PHE A 93 9.340 2.260 -3.870 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.698 3.840 -3.466 1.00 0.00 H new ATOM 0 HD1 PHE A 93 8.418 0.211 -2.870 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.889 4.103 -1.827 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.319 -0.753 -0.861 1.00 0.00 H new ATOM 0 HE2 PHE A 93 5.797 3.133 0.181 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.007 0.704 0.659 1.00 0.00 H new ATOM 1424 N ARG A 94 7.908 0.585 -5.911 1.00 0.00 N ATOM 1425 CA ARG A 94 7.530 -0.763 -6.309 1.00 0.00 C ATOM 1426 C ARG A 94 8.490 -1.715 -5.631 1.00 0.00 C ATOM 1427 O ARG A 94 9.615 -1.321 -5.325 1.00 0.00 O ATOM 1428 CB ARG A 94 7.550 -0.938 -7.834 1.00 0.00 C ATOM 1429 CG ARG A 94 6.638 0.065 -8.555 1.00 0.00 C ATOM 1430 CD ARG A 94 6.126 -0.514 -9.873 1.00 0.00 C ATOM 1431 NE ARG A 94 5.819 0.506 -10.877 1.00 0.00 N ATOM 1432 CZ ARG A 94 6.612 0.919 -11.872 1.00 0.00 C ATOM 1433 NH1 ARG A 94 7.847 0.435 -12.011 1.00 0.00 N ATOM 1434 NH2 ARG A 94 6.158 1.831 -12.722 1.00 0.00 N ATOM 0 H ARG A 94 8.896 0.791 -6.057 1.00 0.00 H new ATOM 0 HA ARG A 94 6.505 -0.969 -6.002 1.00 0.00 H new ATOM 0 HB2 ARG A 94 8.571 -0.820 -8.196 1.00 0.00 H new ATOM 0 HB3 ARG A 94 7.238 -1.952 -8.084 1.00 0.00 H new ATOM 0 HG2 ARG A 94 5.795 0.322 -7.914 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.185 0.988 -8.747 1.00 0.00 H new ATOM 0 HD2 ARG A 94 6.874 -1.196 -10.276 1.00 0.00 H new ATOM 0 HD3 ARG A 94 5.230 -1.103 -9.678 1.00 0.00 H new ATOM 0 HE ARG A 94 4.903 0.949 -10.811 1.00 0.00 H new ATOM 0 HH11 ARG A 94 8.199 -0.260 -11.353 1.00 0.00 H new ATOM 0 HH12 ARG A 94 8.439 0.760 -12.775 1.00 0.00 H new ATOM 0 HH21 ARG A 94 5.216 2.207 -12.612 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.751 2.156 -13.486 1.00 0.00 H new ATOM 1448 N ILE A 95 8.052 -2.951 -5.433 1.00 0.00 N ATOM 1449 CA ILE A 95 8.849 -4.005 -4.825 1.00 0.00 C ATOM 1450 C ILE A 95 8.573 -5.244 -5.675 1.00 0.00 C ATOM 1451 O ILE A 95 7.410 -5.439 -6.042 1.00 0.00 O ATOM 1452 CB ILE A 95 8.362 -4.255 -3.370 1.00 0.00 C ATOM 1453 CG1 ILE A 95 7.796 -3.051 -2.573 1.00 0.00 C ATOM 1454 CG2 ILE A 95 9.493 -4.881 -2.544 1.00 0.00 C ATOM 1455 CD1 ILE A 95 6.391 -2.567 -2.981 1.00 0.00 C ATOM 0 H ILE A 95 7.114 -3.254 -5.696 1.00 0.00 H new ATOM 0 HA ILE A 95 9.909 -3.753 -4.786 1.00 0.00 H new ATOM 0 HB ILE A 95 7.507 -4.915 -3.515 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.773 -3.319 -1.517 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.489 -2.216 -2.675 1.00 0.00 H new ATOM 0 HG21 ILE A 95 9.147 -5.054 -1.525 1.00 0.00 H new ATOM 0 HG22 ILE A 95 9.789 -5.829 -2.993 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.348 -4.205 -2.527 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.101 -1.723 -2.356 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.402 -2.258 -4.026 1.00 0.00 H new ATOM 0 HD13 ILE A 95 5.675 -3.378 -2.850 1.00 0.00 H new ATOM 1467 N PRO A 96 9.546 -6.128 -5.947 1.00 0.00 N ATOM 1468 CA PRO A 96 9.295 -7.338 -6.712 1.00 0.00 C ATOM 1469 C PRO A 96 8.668 -8.388 -5.804 1.00 0.00 C ATOM 1470 O PRO A 96 8.915 -8.406 -4.598 1.00 0.00 O ATOM 1471 CB PRO A 96 10.667 -7.783 -7.210 1.00 0.00 C ATOM 1472 CG PRO A 96 11.603 -7.320 -6.102 1.00 0.00 C ATOM 1473 CD PRO A 96 10.967 -6.006 -5.658 1.00 0.00 C ATOM 0 HA PRO A 96 8.606 -7.183 -7.543 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.714 -8.863 -7.352 1.00 0.00 H new ATOM 0 HB3 PRO A 96 10.917 -7.324 -8.167 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.654 -8.042 -5.287 1.00 0.00 H new ATOM 0 HG3 PRO A 96 12.621 -7.176 -6.465 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.135 -5.831 -4.595 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.402 -5.162 -6.193 1.00 0.00 H new ATOM 1481 N TRP A 97 7.921 -9.329 -6.376 1.00 0.00 N ATOM 1482 CA TRP A 97 7.293 -10.386 -5.588 1.00 0.00 C ATOM 1483 C TRP A 97 8.283 -11.326 -4.880 1.00 0.00 C ATOM 1484 O TRP A 97 7.896 -12.057 -3.965 1.00 0.00 O ATOM 1485 CB TRP A 97 6.355 -11.181 -6.490 1.00 0.00 C ATOM 1486 CG TRP A 97 5.184 -10.414 -7.023 1.00 0.00 C ATOM 1487 CD1 TRP A 97 4.766 -10.389 -8.307 1.00 0.00 C ATOM 1488 CD2 TRP A 97 4.182 -9.672 -6.271 1.00 0.00 C ATOM 1489 NE1 TRP A 97 3.635 -9.598 -8.420 1.00 0.00 N ATOM 1490 CE2 TRP A 97 3.215 -9.159 -7.183 1.00 0.00 C ATOM 1491 CE3 TRP A 97 3.957 -9.451 -4.898 1.00 0.00 C ATOM 1492 CZ2 TRP A 97 2.100 -8.429 -6.754 1.00 0.00 C ATOM 1493 CZ3 TRP A 97 2.813 -8.769 -4.459 1.00 0.00 C ATOM 1494 CH2 TRP A 97 1.883 -8.268 -5.379 1.00 0.00 C ATOM 0 H TRP A 97 7.736 -9.381 -7.378 1.00 0.00 H new ATOM 0 HA TRP A 97 6.743 -9.896 -4.784 1.00 0.00 H new ATOM 0 HB2 TRP A 97 6.928 -11.570 -7.332 1.00 0.00 H new ATOM 0 HB3 TRP A 97 5.983 -12.041 -5.933 1.00 0.00 H new ATOM 0 HD1 TRP A 97 5.243 -10.909 -9.125 1.00 0.00 H new ATOM 0 HE1 TRP A 97 3.174 -9.371 -9.301 1.00 0.00 H new ATOM 0 HE3 TRP A 97 4.674 -9.811 -4.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 1.418 -7.997 -7.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 2.647 -8.629 -3.401 1.00 0.00 H new ATOM 0 HH2 TRP A 97 0.998 -7.757 -5.028 1.00 0.00 H new ATOM 1505 N ASN A 98 9.546 -11.340 -5.313 1.00 0.00 N ATOM 1506 CA ASN A 98 10.615 -12.125 -4.700 1.00 0.00 C ATOM 1507 C ASN A 98 10.958 -11.631 -3.300 1.00 0.00 C ATOM 1508 O ASN A 98 11.186 -12.448 -2.410 1.00 0.00 O ATOM 1509 CB ASN A 98 11.896 -12.056 -5.542 1.00 0.00 C ATOM 1510 CG ASN A 98 13.031 -12.832 -4.873 1.00 0.00 C ATOM 1511 OD1 ASN A 98 13.089 -14.048 -4.957 1.00 0.00 O ATOM 1512 ND2 ASN A 98 13.965 -12.174 -4.199 1.00 0.00 N ATOM 0 H ASN A 98 9.858 -10.794 -6.116 1.00 0.00 H new ATOM 0 HA ASN A 98 10.244 -13.149 -4.644 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.706 -12.465 -6.534 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.192 -11.016 -5.677 1.00 0.00 H new ATOM 0 HD21 ASN A 98 14.728 -12.684 -3.754 1.00 0.00 H new ATOM 0 HD22 ASN A 98 13.921 -11.158 -4.126 1.00 0.00 H new ATOM 1519 N ASP A 99 11.086 -10.316 -3.116 1.00 0.00 N ATOM 1520 CA ASP A 99 11.844 -9.740 -2.007 1.00 0.00 C ATOM 1521 C ASP A 99 10.920 -8.970 -1.050 1.00 0.00 C ATOM 1522 O ASP A 99 9.787 -8.650 -1.430 1.00 0.00 O ATOM 1523 CB ASP A 99 13.088 -9.014 -2.558 1.00 0.00 C ATOM 1524 CG ASP A 99 13.063 -7.495 -2.705 1.00 0.00 C ATOM 1525 OD1 ASP A 99 12.822 -6.774 -1.721 1.00 0.00 O ATOM 1526 OD2 ASP A 99 13.559 -7.006 -3.753 1.00 0.00 O ATOM 0 H ASP A 99 10.666 -9.621 -3.733 1.00 0.00 H new ATOM 0 HA ASP A 99 12.259 -10.506 -1.352 1.00 0.00 H new ATOM 0 HB2 ASP A 99 13.928 -9.267 -1.911 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.304 -9.435 -3.540 1.00 0.00 H new ATOM 1531 N PRO A 100 11.319 -8.802 0.223 1.00 0.00 N ATOM 1532 CA PRO A 100 10.388 -8.500 1.302 1.00 0.00 C ATOM 1533 C PRO A 100 9.810 -7.085 1.212 1.00 0.00 C ATOM 1534 O PRO A 100 10.304 -6.226 0.486 1.00 0.00 O ATOM 1535 CB PRO A 100 11.169 -8.744 2.597 1.00 0.00 C ATOM 1536 CG PRO A 100 12.626 -8.556 2.193 1.00 0.00 C ATOM 1537 CD PRO A 100 12.648 -9.066 0.758 1.00 0.00 C ATOM 0 HA PRO A 100 9.506 -9.138 1.249 1.00 0.00 H new ATOM 0 HB2 PRO A 100 10.878 -8.040 3.377 1.00 0.00 H new ATOM 0 HB3 PRO A 100 10.990 -9.746 2.988 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.931 -7.512 2.256 1.00 0.00 H new ATOM 0 HG3 PRO A 100 13.300 -9.124 2.834 1.00 0.00 H new ATOM 0 HD2 PRO A 100 13.413 -8.556 0.173 1.00 0.00 H new ATOM 0 HD3 PRO A 100 12.879 -10.131 0.725 1.00 0.00 H new ATOM 1545 N VAL A 101 8.749 -6.834 1.977 1.00 0.00 N ATOM 1546 CA VAL A 101 8.028 -5.567 1.960 1.00 0.00 C ATOM 1547 C VAL A 101 8.523 -4.726 3.128 1.00 0.00 C ATOM 1548 O VAL A 101 8.456 -5.183 4.275 1.00 0.00 O ATOM 1549 CB VAL A 101 6.517 -5.840 2.065 1.00 0.00 C ATOM 1550 CG1 VAL A 101 5.691 -4.549 1.984 1.00 0.00 C ATOM 1551 CG2 VAL A 101 6.074 -6.831 0.984 1.00 0.00 C ATOM 0 H VAL A 101 8.363 -7.514 2.633 1.00 0.00 H new ATOM 0 HA VAL A 101 8.206 -5.025 1.031 1.00 0.00 H new ATOM 0 HB VAL A 101 6.334 -6.281 3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.631 -4.790 2.062 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.973 -3.884 2.801 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.881 -4.055 1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.003 -7.012 1.073 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.291 -6.417 -0.001 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.613 -7.770 1.109 1.00 0.00 H new ATOM 1561 N HIS A 102 8.992 -3.503 2.883 1.00 0.00 N ATOM 1562 CA HIS A 102 9.362 -2.613 3.957 1.00 0.00 C ATOM 1563 C HIS A 102 8.155 -1.989 4.665 1.00 0.00 C ATOM 1564 O HIS A 102 7.814 -0.817 4.478 1.00 0.00 O ATOM 1565 CB HIS A 102 10.313 -1.556 3.413 1.00 0.00 C ATOM 1566 CG HIS A 102 11.769 -1.883 3.547 1.00 0.00 C ATOM 1567 ND1 HIS A 102 12.360 -2.558 4.589 1.00 0.00 N ATOM 1568 CD2 HIS A 102 12.680 -1.004 3.068 1.00 0.00 C ATOM 1569 CE1 HIS A 102 13.542 -1.983 4.828 1.00 0.00 C ATOM 1570 NE2 HIS A 102 13.796 -1.024 3.917 1.00 0.00 N ATOM 0 H HIS A 102 9.121 -3.116 1.948 1.00 0.00 H new ATOM 0 HA HIS A 102 9.867 -3.197 4.727 1.00 0.00 H new ATOM 0 HB2 HIS A 102 10.088 -1.395 2.359 1.00 0.00 H new ATOM 0 HB3 HIS A 102 10.119 -0.615 3.928 1.00 0.00 H new ATOM 0 HD1 HIS A 102 11.967 -3.355 5.090 1.00 0.00 H new ATOM 0 HD2 HIS A 102 12.567 -0.393 2.185 1.00 0.00 H new ATOM 0 HE1 HIS A 102 14.203 -2.250 5.640 1.00 0.00 H new ATOM 1578 N TYR A 103 7.530 -2.771 5.541 1.00 0.00 N ATOM 1579 CA TYR A 103 6.454 -2.321 6.400 1.00 0.00 C ATOM 1580 C TYR A 103 6.883 -1.176 7.318 1.00 0.00 C ATOM 1581 O TYR A 103 6.079 -0.293 7.566 1.00 0.00 O ATOM 1582 CB TYR A 103 5.963 -3.497 7.243 1.00 0.00 C ATOM 1583 CG TYR A 103 5.302 -4.602 6.438 1.00 0.00 C ATOM 1584 CD1 TYR A 103 3.976 -4.447 6.000 1.00 0.00 C ATOM 1585 CD2 TYR A 103 6.013 -5.767 6.094 1.00 0.00 C ATOM 1586 CE1 TYR A 103 3.348 -5.433 5.225 1.00 0.00 C ATOM 1587 CE2 TYR A 103 5.384 -6.776 5.337 1.00 0.00 C ATOM 1588 CZ TYR A 103 4.056 -6.604 4.883 1.00 0.00 C ATOM 1589 OH TYR A 103 3.481 -7.538 4.076 1.00 0.00 O ATOM 0 H TYR A 103 7.767 -3.754 5.671 1.00 0.00 H new ATOM 0 HA TYR A 103 5.654 -1.943 5.763 1.00 0.00 H new ATOM 0 HB2 TYR A 103 6.808 -3.916 7.790 1.00 0.00 H new ATOM 0 HB3 TYR A 103 5.254 -3.128 7.984 1.00 0.00 H new ATOM 0 HD1 TYR A 103 3.431 -3.553 6.265 1.00 0.00 H new ATOM 0 HD2 TYR A 103 7.039 -5.888 6.410 1.00 0.00 H new ATOM 0 HE1 TYR A 103 2.330 -5.297 4.892 1.00 0.00 H new ATOM 0 HE2 TYR A 103 5.919 -7.685 5.103 1.00 0.00 H new ATOM 0 HH TYR A 103 4.105 -8.281 3.940 1.00 0.00 H new ATOM 1599 N GLU A 104 8.108 -1.162 7.843 1.00 0.00 N ATOM 1600 CA GLU A 104 8.616 -0.122 8.733 1.00 0.00 C ATOM 1601 C GLU A 104 8.764 1.199 7.980 1.00 0.00 C ATOM 1602 O GLU A 104 8.302 2.229 8.462 1.00 0.00 O ATOM 1603 CB GLU A 104 9.935 -0.620 9.366 1.00 0.00 C ATOM 1604 CG GLU A 104 10.597 0.314 10.371 1.00 0.00 C ATOM 1605 CD GLU A 104 11.689 -0.439 11.140 1.00 0.00 C ATOM 1606 OE1 GLU A 104 12.551 -1.127 10.533 1.00 0.00 O ATOM 1607 OE2 GLU A 104 11.658 -0.394 12.386 1.00 0.00 O ATOM 0 H GLU A 104 8.792 -1.895 7.655 1.00 0.00 H new ATOM 0 HA GLU A 104 7.913 0.076 9.542 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.739 -1.571 9.861 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.646 -0.818 8.564 1.00 0.00 H new ATOM 0 HG2 GLU A 104 11.029 1.171 9.855 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.852 0.702 11.066 1.00 0.00 H new ATOM 1614 N LEU A 105 9.355 1.195 6.788 1.00 0.00 N ATOM 1615 CA LEU A 105 9.557 2.420 6.019 1.00 0.00 C ATOM 1616 C LEU A 105 8.204 2.950 5.550 1.00 0.00 C ATOM 1617 O LEU A 105 7.903 4.136 5.681 1.00 0.00 O ATOM 1618 CB LEU A 105 10.456 2.089 4.804 1.00 0.00 C ATOM 1619 CG LEU A 105 11.472 3.152 4.373 1.00 0.00 C ATOM 1620 CD1 LEU A 105 10.819 4.464 3.945 1.00 0.00 C ATOM 1621 CD2 LEU A 105 12.519 3.383 5.458 1.00 0.00 C ATOM 0 H LEU A 105 9.704 0.352 6.332 1.00 0.00 H new ATOM 0 HA LEU A 105 10.037 3.184 6.631 1.00 0.00 H new ATOM 0 HB2 LEU A 105 11.001 1.172 5.027 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.809 1.876 3.953 1.00 0.00 H new ATOM 0 HG LEU A 105 11.974 2.758 3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 105 11.591 5.176 3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 105 10.154 4.281 3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 105 10.245 4.873 4.777 1.00 0.00 H new ATOM 0 HD21 LEU A 105 13.227 4.142 5.125 1.00 0.00 H new ATOM 0 HD22 LEU A 105 12.028 3.720 6.371 1.00 0.00 H new ATOM 0 HD23 LEU A 105 13.051 2.452 5.654 1.00 0.00 H new ATOM 1633 N LEU A 106 7.377 2.063 4.992 1.00 0.00 N ATOM 1634 CA LEU A 106 6.097 2.447 4.418 1.00 0.00 C ATOM 1635 C LEU A 106 5.080 2.804 5.510 1.00 0.00 C ATOM 1636 O LEU A 106 4.253 3.683 5.270 1.00 0.00 O ATOM 1637 CB LEU A 106 5.682 1.451 3.327 1.00 0.00 C ATOM 1638 CG LEU A 106 4.709 0.343 3.739 1.00 0.00 C ATOM 1639 CD1 LEU A 106 3.278 0.841 3.542 1.00 0.00 C ATOM 1640 CD2 LEU A 106 4.935 -0.915 2.898 1.00 0.00 C ATOM 0 H LEU A 106 7.579 1.065 4.928 1.00 0.00 H new ATOM 0 HA LEU A 106 6.171 3.387 3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.231 2.012 2.508 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.584 0.982 2.934 1.00 0.00 H new ATOM 0 HG LEU A 106 4.878 0.092 4.786 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.577 0.058 3.833 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.112 1.724 4.159 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.123 1.096 2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.233 -1.690 3.207 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.778 -0.682 1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.955 -1.271 3.042 1.00 0.00 H new ATOM 1652 N LYS A 107 5.198 2.249 6.727 1.00 0.00 N ATOM 1653 CA LYS A 107 4.516 2.740 7.921 1.00 0.00 C ATOM 1654 C LYS A 107 4.828 4.213 8.116 1.00 0.00 C ATOM 1655 O LYS A 107 3.890 4.992 8.272 1.00 0.00 O ATOM 1656 CB LYS A 107 4.944 1.896 9.143 1.00 0.00 C ATOM 1657 CG LYS A 107 4.731 2.570 10.504 1.00 0.00 C ATOM 1658 CD LYS A 107 4.208 1.646 11.597 1.00 0.00 C ATOM 1659 CE LYS A 107 4.895 0.284 11.722 1.00 0.00 C ATOM 1660 NZ LYS A 107 4.294 -0.520 12.808 1.00 0.00 N ATOM 0 H LYS A 107 5.782 1.432 6.905 1.00 0.00 H new ATOM 0 HA LYS A 107 3.437 2.640 7.806 1.00 0.00 H new ATOM 0 HB2 LYS A 107 4.390 0.957 9.129 1.00 0.00 H new ATOM 0 HB3 LYS A 107 6.000 1.645 9.040 1.00 0.00 H new ATOM 0 HG2 LYS A 107 5.677 3.001 10.833 1.00 0.00 H new ATOM 0 HG3 LYS A 107 4.031 3.396 10.380 1.00 0.00 H new ATOM 0 HD2 LYS A 107 4.297 2.163 12.553 1.00 0.00 H new ATOM 0 HD3 LYS A 107 3.145 1.478 11.423 1.00 0.00 H new ATOM 0 HE2 LYS A 107 4.813 -0.256 10.778 1.00 0.00 H new ATOM 0 HE3 LYS A 107 5.958 0.426 11.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 5.033 -1.087 13.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 3.856 0.113 13.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 3.570 -1.152 12.412 1.00 0.00 H new ATOM 1674 N GLN A 108 6.110 4.589 8.128 1.00 0.00 N ATOM 1675 CA GLN A 108 6.472 5.941 8.518 1.00 0.00 C ATOM 1676 C GLN A 108 5.764 6.969 7.648 1.00 0.00 C ATOM 1677 O GLN A 108 5.121 7.879 8.176 1.00 0.00 O ATOM 1678 CB GLN A 108 7.985 6.188 8.451 1.00 0.00 C ATOM 1679 CG GLN A 108 8.787 5.437 9.512 1.00 0.00 C ATOM 1680 CD GLN A 108 10.253 5.843 9.428 1.00 0.00 C ATOM 1681 OE1 GLN A 108 10.683 6.828 10.019 1.00 0.00 O ATOM 1682 NE2 GLN A 108 11.036 5.160 8.615 1.00 0.00 N ATOM 0 H GLN A 108 6.894 3.987 7.877 1.00 0.00 H new ATOM 0 HA GLN A 108 6.154 6.051 9.555 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.346 5.897 7.465 1.00 0.00 H new ATOM 0 HB3 GLN A 108 8.173 7.256 8.557 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.394 5.659 10.504 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.688 4.362 9.364 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.674 4.342 8.126 1.00 0.00 H new ATOM 0 HE22 GLN A 108 12.004 5.450 8.476 1.00 0.00 H new ATOM 1691 N MET A 109 5.886 6.813 6.328 1.00 0.00 N ATOM 1692 CA MET A 109 5.326 7.758 5.378 1.00 0.00 C ATOM 1693 C MET A 109 3.801 7.782 5.426 1.00 0.00 C ATOM 1694 O MET A 109 3.236 8.849 5.206 1.00 0.00 O ATOM 1695 CB MET A 109 5.841 7.479 3.957 1.00 0.00 C ATOM 1696 CG MET A 109 5.399 6.117 3.414 1.00 0.00 C ATOM 1697 SD MET A 109 6.139 5.617 1.838 1.00 0.00 S ATOM 1698 CE MET A 109 7.860 5.423 2.372 1.00 0.00 C ATOM 0 H MET A 109 6.375 6.029 5.896 1.00 0.00 H new ATOM 0 HA MET A 109 5.665 8.752 5.669 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.486 8.263 3.288 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.930 7.528 3.956 1.00 0.00 H new ATOM 0 HG2 MET A 109 5.632 5.357 4.160 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.315 6.128 3.297 1.00 0.00 H new ATOM 0 HE1 MET A 109 8.477 6.186 1.897 1.00 0.00 H new ATOM 0 HE2 MET A 109 7.919 5.531 3.455 1.00 0.00 H new ATOM 0 HE3 MET A 109 8.221 4.435 2.086 1.00 0.00 H new ATOM 1708 N ILE A 110 3.120 6.653 5.675 1.00 0.00 N ATOM 1709 CA ILE A 110 1.662 6.666 5.695 1.00 0.00 C ATOM 1710 C ILE A 110 1.188 7.388 6.956 1.00 0.00 C ATOM 1711 O ILE A 110 0.429 8.345 6.824 1.00 0.00 O ATOM 1712 CB ILE A 110 1.058 5.265 5.431 1.00 0.00 C ATOM 1713 CG1 ILE A 110 -0.411 5.352 4.986 1.00 0.00 C ATOM 1714 CG2 ILE A 110 1.201 4.227 6.554 1.00 0.00 C ATOM 1715 CD1 ILE A 110 -1.401 5.680 6.100 1.00 0.00 C ATOM 0 H ILE A 110 3.547 5.746 5.860 1.00 0.00 H new ATOM 0 HA ILE A 110 1.270 7.243 4.857 1.00 0.00 H new ATOM 0 HB ILE A 110 1.683 4.887 4.621 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.496 6.112 4.209 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -0.696 4.402 4.535 1.00 0.00 H new ATOM 0 HG21 ILE A 110 0.738 3.290 6.245 1.00 0.00 H new ATOM 0 HG22 ILE A 110 2.258 4.058 6.761 1.00 0.00 H new ATOM 0 HG23 ILE A 110 0.709 4.595 7.454 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -2.410 5.720 5.690 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.352 4.909 6.869 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.149 6.646 6.538 1.00 0.00 H new ATOM 1727 N GLU A 111 1.661 6.984 8.143 1.00 0.00 N ATOM 1728 CA GLU A 111 1.284 7.597 9.421 1.00 0.00 C ATOM 1729 C GLU A 111 1.486 9.097 9.315 1.00 0.00 C ATOM 1730 O GLU A 111 0.554 9.860 9.562 1.00 0.00 O ATOM 1731 CB GLU A 111 2.131 7.040 10.578 1.00 0.00 C ATOM 1732 CG GLU A 111 1.844 5.578 10.897 1.00 0.00 C ATOM 1733 CD GLU A 111 1.052 5.359 12.191 1.00 0.00 C ATOM 1734 OE1 GLU A 111 -0.095 5.840 12.296 1.00 0.00 O ATOM 1735 OE2 GLU A 111 1.561 4.634 13.083 1.00 0.00 O ATOM 0 H GLU A 111 2.323 6.214 8.242 1.00 0.00 H new ATOM 0 HA GLU A 111 0.240 7.365 9.631 1.00 0.00 H new ATOM 0 HB2 GLU A 111 3.187 7.148 10.329 1.00 0.00 H new ATOM 0 HB3 GLU A 111 1.951 7.640 11.470 1.00 0.00 H new ATOM 0 HG2 GLU A 111 1.290 5.139 10.067 1.00 0.00 H new ATOM 0 HG3 GLU A 111 2.790 5.041 10.968 1.00 0.00 H new ATOM 1742 N PHE A 112 2.677 9.495 8.861 1.00 0.00 N ATOM 1743 CA PHE A 112 3.008 10.882 8.654 1.00 0.00 C ATOM 1744 C PHE A 112 2.004 11.552 7.722 1.00 0.00 C ATOM 1745 O PHE A 112 1.461 12.586 8.085 1.00 0.00 O ATOM 1746 CB PHE A 112 4.426 11.022 8.104 1.00 0.00 C ATOM 1747 CG PHE A 112 4.802 12.478 7.974 1.00 0.00 C ATOM 1748 CD1 PHE A 112 5.108 13.201 9.139 1.00 0.00 C ATOM 1749 CD2 PHE A 112 4.685 13.144 6.737 1.00 0.00 C ATOM 1750 CE1 PHE A 112 5.266 14.591 9.076 1.00 0.00 C ATOM 1751 CE2 PHE A 112 4.854 14.538 6.674 1.00 0.00 C ATOM 1752 CZ PHE A 112 5.134 15.260 7.849 1.00 0.00 C ATOM 0 H PHE A 112 3.433 8.851 8.630 1.00 0.00 H new ATOM 0 HA PHE A 112 2.961 11.386 9.620 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.130 10.516 8.765 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.495 10.534 7.132 1.00 0.00 H new ATOM 0 HD1 PHE A 112 5.221 12.686 10.081 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.466 12.584 5.840 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.490 15.149 9.973 1.00 0.00 H new ATOM 0 HE2 PHE A 112 4.769 15.053 5.728 1.00 0.00 H new ATOM 0 HZ PHE A 112 5.248 16.333 7.807 1.00 0.00 H new ATOM 1762 N ASN A 113 1.743 10.999 6.534 1.00 0.00 N ATOM 1763 CA ASN A 113 0.909 11.675 5.544 1.00 0.00 C ATOM 1764 C ASN A 113 -0.535 11.875 6.019 1.00 0.00 C ATOM 1765 O ASN A 113 -1.206 12.769 5.510 1.00 0.00 O ATOM 1766 CB ASN A 113 0.937 10.932 4.199 1.00 0.00 C ATOM 1767 CG ASN A 113 0.565 11.875 3.065 1.00 0.00 C ATOM 1768 OD1 ASN A 113 1.281 12.832 2.810 1.00 0.00 O ATOM 1769 ND2 ASN A 113 -0.529 11.664 2.367 1.00 0.00 N ATOM 0 H ASN A 113 2.097 10.089 6.238 1.00 0.00 H new ATOM 0 HA ASN A 113 1.338 12.668 5.407 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.930 10.518 4.025 1.00 0.00 H new ATOM 0 HB3 ASN A 113 0.242 10.093 4.225 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -0.782 12.300 1.611 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -1.125 10.864 2.582 1.00 0.00 H new ATOM 1776 N ILE A 114 -1.013 11.080 6.985 1.00 0.00 N ATOM 1777 CA ILE A 114 -2.268 11.322 7.695 1.00 0.00 C ATOM 1778 C ILE A 114 -2.078 12.525 8.632 1.00 0.00 C ATOM 1779 O ILE A 114 -2.840 13.492 8.544 1.00 0.00 O ATOM 1780 CB ILE A 114 -2.725 10.050 8.456 1.00 0.00 C ATOM 1781 CG1 ILE A 114 -3.044 8.872 7.492 1.00 0.00 C ATOM 1782 CG2 ILE A 114 -3.967 10.338 9.326 1.00 0.00 C ATOM 1783 CD1 ILE A 114 -3.284 7.497 8.157 1.00 0.00 C ATOM 0 H ILE A 114 -0.528 10.239 7.297 1.00 0.00 H new ATOM 0 HA ILE A 114 -3.062 11.556 6.985 1.00 0.00 H new ATOM 0 HB ILE A 114 -1.890 9.759 9.094 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -3.930 9.133 6.913 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -2.219 8.773 6.786 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -4.265 9.428 9.848 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -3.729 11.113 10.055 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.786 10.676 8.691 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -3.497 6.754 7.389 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -2.394 7.201 8.712 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -4.131 7.566 8.840 1.00 0.00 H new ATOM 1795 N GLN A 115 -1.109 12.478 9.555 1.00 0.00 N ATOM 1796 CA GLN A 115 -0.965 13.520 10.582 1.00 0.00 C ATOM 1797 C GLN A 115 -0.373 14.825 10.035 1.00 0.00 C ATOM 1798 O GLN A 115 -0.279 15.815 10.758 1.00 0.00 O ATOM 1799 CB GLN A 115 -0.170 13.007 11.792 1.00 0.00 C ATOM 1800 CG GLN A 115 1.270 12.621 11.455 1.00 0.00 C ATOM 1801 CD GLN A 115 2.087 12.350 12.706 1.00 0.00 C ATOM 1802 OE1 GLN A 115 1.930 11.324 13.363 1.00 0.00 O ATOM 1803 NE2 GLN A 115 2.963 13.262 13.076 1.00 0.00 N ATOM 0 H GLN A 115 -0.415 11.733 9.613 1.00 0.00 H new ATOM 0 HA GLN A 115 -1.974 13.760 10.917 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -0.161 13.777 12.564 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -0.681 12.141 12.212 1.00 0.00 H new ATOM 0 HG2 GLN A 115 1.270 11.734 10.821 1.00 0.00 H new ATOM 0 HG3 GLN A 115 1.737 13.422 10.882 1.00 0.00 H new ATOM 0 HE21 GLN A 115 3.083 14.109 12.521 1.00 0.00 H new ATOM 0 HE22 GLN A 115 3.521 13.121 13.918 1.00 0.00 H new ATOM 1812 N ASP A 116 0.047 14.839 8.774 1.00 0.00 N ATOM 1813 CA ASP A 116 0.479 16.056 8.077 1.00 0.00 C ATOM 1814 C ASP A 116 -0.735 16.913 7.696 1.00 0.00 C ATOM 1815 O ASP A 116 -0.606 18.117 7.499 1.00 0.00 O ATOM 1816 CB ASP A 116 1.306 15.702 6.833 1.00 0.00 C ATOM 1817 CG ASP A 116 2.054 16.915 6.268 1.00 0.00 C ATOM 1818 OD1 ASP A 116 3.032 17.379 6.901 1.00 0.00 O ATOM 1819 OD2 ASP A 116 1.750 17.362 5.140 1.00 0.00 O ATOM 0 H ASP A 116 0.099 13.999 8.197 1.00 0.00 H new ATOM 0 HA ASP A 116 1.111 16.635 8.751 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.023 14.921 7.086 1.00 0.00 H new ATOM 0 HB3 ASP A 116 0.648 15.294 6.066 1.00 0.00 H new ATOM 1824 N LYS A 117 -1.927 16.306 7.653 1.00 0.00 N ATOM 1825 CA LYS A 117 -3.218 16.885 7.260 1.00 0.00 C ATOM 1826 C LYS A 117 -4.067 17.219 8.487 1.00 0.00 C ATOM 1827 O LYS A 117 -5.299 17.236 8.412 1.00 0.00 O ATOM 1828 CB LYS A 117 -3.974 15.874 6.392 1.00 0.00 C ATOM 1829 CG LYS A 117 -3.207 15.492 5.134 1.00 0.00 C ATOM 1830 CD LYS A 117 -3.101 16.654 4.133 1.00 0.00 C ATOM 1831 CE LYS A 117 -3.415 16.103 2.747 1.00 0.00 C ATOM 1832 NZ LYS A 117 -3.371 17.123 1.687 1.00 0.00 N ATOM 0 H LYS A 117 -2.022 15.324 7.911 1.00 0.00 H new ATOM 0 HA LYS A 117 -3.031 17.805 6.706 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -4.174 14.977 6.977 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -4.940 16.293 6.111 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -2.205 15.162 5.409 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -3.701 14.647 4.654 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -3.799 17.449 4.395 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -2.101 17.087 4.155 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -2.704 15.312 2.509 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -4.405 15.647 2.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -3.594 16.682 0.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -4.068 17.867 1.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -2.420 17.542 1.647 1.00 0.00 H new ATOM 1846 N GLU A 118 -3.458 17.283 9.666 1.00 0.00 N ATOM 1847 CA GLU A 118 -4.140 17.752 10.859 1.00 0.00 C ATOM 1848 C GLU A 118 -4.504 19.218 10.654 1.00 0.00 C ATOM 1849 O GLU A 118 -5.593 19.609 11.121 1.00 0.00 O ATOM 1850 CB GLU A 118 -3.264 17.532 12.107 1.00 0.00 C ATOM 1851 CG GLU A 118 -3.843 16.434 13.022 1.00 0.00 C ATOM 1852 CD GLU A 118 -3.353 16.514 14.479 1.00 0.00 C ATOM 1853 OE1 GLU A 118 -2.123 16.533 14.722 1.00 0.00 O ATOM 1854 OE2 GLU A 118 -4.209 16.563 15.389 1.00 0.00 O ATOM 0 H GLU A 118 -2.486 17.013 9.818 1.00 0.00 H new ATOM 0 HA GLU A 118 -5.055 17.184 11.026 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -2.255 17.256 11.800 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -3.183 18.465 12.664 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -4.931 16.502 13.011 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -3.580 15.458 12.614 1.00 0.00 H new TER 1861 GLU A 118