USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 0 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 82 GLN : amide:sc= -12.4! C(o=-12!,f=-8.5!) USER MOD Set 1.2: A 114 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 66 THR OG1 : rot -71:sc= 0.408! USER MOD Set 2.2: A 67 MET CE :methyl -134:sc= -0.324 (180deg=-1.04) USER MOD Single : A 15 ASN : amide:sc= -0.0639 K(o=-0.064,f=-1.1) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -10.5! C(o=-10!,f=-8.7!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.0339 K(o=-0.034,f=-1.5) USER MOD Single : A 29 HIS : no HD1:sc= 0.455 K(o=0.46,f=-2.5!) USER MOD Single : A 32 ASN : amide:sc= -0.349 X(o=-0.35,f=-0.14) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -147:sc= -0.4 (180deg=-2.04!) USER MOD Single : A 40 GLN : amide:sc= -0.142 K(o=-0.14,f=-0.65) USER MOD Single : A 41 HIS : no HD1:sc= -4.94! C(o=-4.9!,f=-4.3!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -1.31 K(o=-1.3,f=-0.77) USER MOD Single : A 56 HIS : no HE2:sc= 0.00407 X(o=0.0041,f=-0.3) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0.109 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.458 K(o=-0.46,f=-1.9!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 150:sc= -0.906 USER MOD Single : A 85 HIS : no HE2:sc= -29.9! C(o=-30!,f=-34!) USER MOD Single : A 87 HIS : no HD1:sc= -3.91! K(o=-3.9!,f=-2.4) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= -8.99! C(o=-9!,f=-11!) USER MOD Single : A 100 ASN : amide:sc= -2.2 K(o=-2.2,f=-9.8!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -9.62! C(o=-9.6!,f=-16!) USER MOD Single : A 107 ASN : amide:sc= -1.52 X(o=-1.5,f=-1.2) USER MOD Single : A 116 GLN : amide:sc= -0.416 K(o=-0.42,f=-3.3!) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= -11.5! C(o=-11!,f=-7.1!) USER MOD Single : A 127 MET CE :methyl -155:sc= -0.0531 (180deg=-0.621) USER MOD Single : A 129 HIS : no HD1:sc= -0.459 X(o=-0.46,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 38 N CYS A 11 -23.965 -0.409 -6.990 1.00 1.00 N ATOM 39 CA CYS A 11 -22.920 -1.025 -6.125 1.00 1.00 C ATOM 40 C CYS A 11 -21.747 -0.054 -5.977 1.00 1.00 C ATOM 41 O CYS A 11 -21.798 1.069 -6.438 1.00 1.00 O ATOM 42 CB CYS A 11 -22.428 -2.325 -6.765 1.00 1.00 C ATOM 43 SG CYS A 11 -22.178 -3.572 -5.478 1.00 1.00 S ATOM 0 HA CYS A 11 -23.341 -1.241 -5.143 1.00 1.00 H new ATOM 0 HB2 CYS A 11 -23.154 -2.681 -7.496 1.00 1.00 H new ATOM 0 HB3 CYS A 11 -21.496 -2.149 -7.302 1.00 1.00 H new ATOM 44 N ASP A 12 -20.690 -0.476 -5.339 1.00 1.00 N ATOM 45 CA ASP A 12 -19.518 0.428 -5.166 1.00 1.00 C ATOM 46 C ASP A 12 -18.369 -0.342 -4.509 1.00 1.00 C ATOM 47 O ASP A 12 -17.926 -0.008 -3.428 1.00 1.00 O ATOM 48 CB ASP A 12 -19.913 1.608 -4.275 1.00 1.00 C ATOM 49 CG ASP A 12 -20.364 2.783 -5.145 1.00 1.00 C ATOM 50 OD1 ASP A 12 -19.508 3.418 -5.740 1.00 1.00 O ATOM 51 OD2 ASP A 12 -21.557 3.031 -5.200 1.00 1.00 O ATOM 0 H ASP A 12 -20.587 -1.405 -4.931 1.00 1.00 H new ATOM 0 HA ASP A 12 -19.198 0.796 -6.141 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -20.717 1.313 -3.600 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -19.068 1.906 -3.654 1.00 1.00 H new ATOM 52 N CYS A 13 -17.880 -1.368 -5.152 1.00 1.00 N ATOM 53 CA CYS A 13 -16.759 -2.151 -4.558 1.00 1.00 C ATOM 54 C CYS A 13 -16.082 -2.984 -5.647 1.00 1.00 C ATOM 55 O CYS A 13 -16.695 -3.342 -6.633 1.00 1.00 O ATOM 56 CB CYS A 13 -17.302 -3.081 -3.473 1.00 1.00 C ATOM 57 SG CYS A 13 -18.373 -2.147 -2.353 1.00 1.00 S ATOM 0 H CYS A 13 -18.207 -1.697 -6.060 1.00 1.00 H new ATOM 0 HA CYS A 13 -16.034 -1.465 -4.120 1.00 1.00 H new ATOM 0 HB2 CYS A 13 -17.860 -3.900 -3.927 1.00 1.00 H new ATOM 0 HB3 CYS A 13 -16.478 -3.527 -2.916 1.00 1.00 H new ATOM 58 N LEU A 14 -14.823 -3.302 -5.485 1.00 1.00 N ATOM 59 CA LEU A 14 -14.133 -4.114 -6.527 1.00 1.00 C ATOM 60 C LEU A 14 -14.281 -5.599 -6.208 1.00 1.00 C ATOM 61 O LEU A 14 -14.955 -5.987 -5.274 1.00 1.00 O ATOM 62 CB LEU A 14 -12.638 -3.764 -6.571 1.00 1.00 C ATOM 63 CG LEU A 14 -12.393 -2.497 -7.403 1.00 1.00 C ATOM 64 CD1 LEU A 14 -10.946 -2.492 -7.899 1.00 1.00 C ATOM 65 CD2 LEU A 14 -13.323 -2.465 -8.615 1.00 1.00 C ATOM 0 H LEU A 14 -14.249 -3.037 -4.684 1.00 1.00 H new ATOM 0 HA LEU A 14 -14.587 -3.894 -7.493 1.00 1.00 H new ATOM 0 HB2 LEU A 14 -12.266 -3.615 -5.557 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -12.078 -4.597 -6.997 1.00 1.00 H new ATOM 0 HG LEU A 14 -12.586 -1.626 -6.777 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -10.767 -1.594 -8.490 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -10.269 -2.505 -7.045 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -10.770 -3.373 -8.515 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -13.136 -1.560 -9.193 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -13.138 -3.339 -9.239 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -14.360 -2.472 -8.278 1.00 1.00 H new ATOM 66 N ASN A 15 -13.650 -6.431 -6.988 1.00 1.00 N ATOM 67 CA ASN A 15 -13.736 -7.895 -6.753 1.00 1.00 C ATOM 68 C ASN A 15 -15.185 -8.282 -6.448 1.00 1.00 C ATOM 69 O ASN A 15 -15.449 -9.137 -5.626 1.00 1.00 O ATOM 70 CB ASN A 15 -12.844 -8.276 -5.570 1.00 1.00 C ATOM 71 CG ASN A 15 -11.458 -8.674 -6.082 1.00 1.00 C ATOM 72 OD1 ASN A 15 -11.067 -8.298 -7.169 1.00 1.00 O ATOM 73 ND2 ASN A 15 -10.693 -9.426 -5.338 1.00 1.00 N ATOM 0 H ASN A 15 -13.075 -6.155 -7.784 1.00 1.00 H new ATOM 0 HA ASN A 15 -13.401 -8.425 -7.645 1.00 1.00 H new ATOM 0 HB2 ASN A 15 -12.761 -7.437 -4.879 1.00 1.00 H new ATOM 0 HB3 ASN A 15 -13.290 -9.102 -5.016 1.00 1.00 H new ATOM 0 HD21 ASN A 15 -9.767 -9.698 -5.669 1.00 1.00 H new ATOM 0 HD22 ASN A 15 -11.021 -9.742 -4.425 1.00 1.00 H new ATOM 74 N GLY A 16 -16.126 -7.660 -7.104 1.00 1.00 N ATOM 75 CA GLY A 16 -17.556 -7.994 -6.852 1.00 1.00 C ATOM 76 C GLY A 16 -17.798 -8.115 -5.346 1.00 1.00 C ATOM 77 O GLY A 16 -18.199 -9.151 -4.854 1.00 1.00 O ATOM 0 H GLY A 16 -15.966 -6.935 -7.804 1.00 1.00 H new ATOM 0 HA2 GLY A 16 -18.200 -7.222 -7.273 1.00 1.00 H new ATOM 0 HA3 GLY A 16 -17.814 -8.930 -7.348 1.00 1.00 H new ATOM 78 N GLY A 17 -17.559 -7.064 -4.611 1.00 1.00 N ATOM 79 CA GLY A 17 -17.778 -7.121 -3.137 1.00 1.00 C ATOM 80 C GLY A 17 -19.195 -7.624 -2.850 1.00 1.00 C ATOM 81 O GLY A 17 -19.933 -7.975 -3.749 1.00 1.00 O ATOM 0 H GLY A 17 -17.222 -6.169 -4.966 1.00 1.00 H new ATOM 0 HA2 GLY A 17 -17.045 -7.783 -2.675 1.00 1.00 H new ATOM 0 HA3 GLY A 17 -17.636 -6.133 -2.699 1.00 1.00 H new ATOM 82 N THR A 18 -19.579 -7.662 -1.604 1.00 1.00 N ATOM 83 CA THR A 18 -20.947 -8.144 -1.260 1.00 1.00 C ATOM 84 C THR A 18 -21.959 -7.018 -1.484 1.00 1.00 C ATOM 85 O THR A 18 -22.217 -6.218 -0.606 1.00 1.00 O ATOM 86 CB THR A 18 -20.980 -8.575 0.204 1.00 1.00 C ATOM 87 OG1 THR A 18 -20.206 -9.742 0.384 1.00 1.00 O ATOM 88 CG2 THR A 18 -22.433 -8.847 0.589 1.00 1.00 C ATOM 0 H THR A 18 -19.005 -7.380 -0.809 1.00 1.00 H new ATOM 0 HA THR A 18 -21.203 -8.992 -1.895 1.00 1.00 H new ATOM 0 HB THR A 18 -20.565 -7.789 0.835 1.00 1.00 H new ATOM 0 HG1 THR A 18 -20.232 -10.010 1.326 1.00 1.00 H new ATOM 0 HG21 THR A 18 -22.481 -9.157 1.633 1.00 1.00 H new ATOM 0 HG22 THR A 18 -23.022 -7.940 0.453 1.00 1.00 H new ATOM 0 HG23 THR A 18 -22.835 -9.639 -0.043 1.00 1.00 H new ATOM 89 N CYS A 19 -22.538 -6.952 -2.651 1.00 1.00 N ATOM 90 CA CYS A 19 -23.536 -5.881 -2.927 1.00 1.00 C ATOM 91 C CYS A 19 -24.815 -6.167 -2.137 1.00 1.00 C ATOM 92 O CYS A 19 -25.454 -7.184 -2.320 1.00 1.00 O ATOM 93 CB CYS A 19 -23.854 -5.857 -4.424 1.00 1.00 C ATOM 94 SG CYS A 19 -24.048 -4.143 -4.971 1.00 1.00 S ATOM 0 H CYS A 19 -22.363 -7.593 -3.425 1.00 1.00 H new ATOM 0 HA CYS A 19 -23.130 -4.915 -2.627 1.00 1.00 H new ATOM 0 HB2 CYS A 19 -23.054 -6.341 -4.985 1.00 1.00 H new ATOM 0 HB3 CYS A 19 -24.767 -6.419 -4.622 1.00 1.00 H new ATOM 95 N VAL A 20 -25.193 -5.280 -1.257 1.00 1.00 N ATOM 96 CA VAL A 20 -26.428 -5.508 -0.457 1.00 1.00 C ATOM 97 C VAL A 20 -27.528 -4.560 -0.938 1.00 1.00 C ATOM 98 O VAL A 20 -27.292 -3.674 -1.735 1.00 1.00 O ATOM 99 CB VAL A 20 -26.132 -5.246 1.021 1.00 1.00 C ATOM 100 CG1 VAL A 20 -24.890 -6.035 1.440 1.00 1.00 C ATOM 101 CG2 VAL A 20 -25.880 -3.753 1.236 1.00 1.00 C ATOM 0 H VAL A 20 -24.700 -4.409 -1.058 1.00 1.00 H new ATOM 0 HA VAL A 20 -26.760 -6.539 -0.582 1.00 1.00 H new ATOM 0 HB VAL A 20 -26.985 -5.561 1.622 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -24.679 -5.849 2.493 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -25.067 -7.100 1.288 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -24.038 -5.719 0.838 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -25.669 -3.568 2.289 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -25.028 -3.438 0.634 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -26.763 -3.188 0.938 1.00 1.00 H new ATOM 102 N SER A 21 -28.731 -4.740 -0.465 1.00 1.00 N ATOM 103 CA SER A 21 -29.842 -3.849 -0.903 1.00 1.00 C ATOM 104 C SER A 21 -30.858 -3.696 0.230 1.00 1.00 C ATOM 105 O SER A 21 -31.155 -4.636 0.941 1.00 1.00 O ATOM 106 CB SER A 21 -30.531 -4.459 -2.124 1.00 1.00 C ATOM 107 OG SER A 21 -31.284 -3.455 -2.790 1.00 1.00 O ATOM 0 H SER A 21 -28.992 -5.464 0.204 1.00 1.00 H new ATOM 0 HA SER A 21 -29.439 -2.870 -1.161 1.00 1.00 H new ATOM 0 HB2 SER A 21 -29.789 -4.882 -2.801 1.00 1.00 H new ATOM 0 HB3 SER A 21 -31.184 -5.276 -1.817 1.00 1.00 H new ATOM 0 HG SER A 21 -31.725 -3.843 -3.574 1.00 1.00 H new ATOM 108 N ASN A 22 -31.393 -2.517 0.400 1.00 1.00 N ATOM 109 CA ASN A 22 -32.392 -2.291 1.478 1.00 1.00 C ATOM 110 C ASN A 22 -33.362 -3.481 1.533 1.00 1.00 C ATOM 111 O ASN A 22 -33.809 -3.978 0.518 1.00 1.00 O ATOM 112 CB ASN A 22 -33.128 -0.968 1.181 1.00 1.00 C ATOM 113 CG ASN A 22 -34.651 -1.137 1.267 1.00 1.00 C ATOM 114 OD1 ASN A 22 -35.367 -0.768 0.358 1.00 1.00 O ATOM 115 ND2 ASN A 22 -35.173 -1.682 2.327 1.00 1.00 N ATOM 0 H ASN A 22 -31.178 -1.697 -0.167 1.00 1.00 H new ATOM 0 HA ASN A 22 -31.909 -2.215 2.452 1.00 1.00 H new ATOM 0 HB2 ASN A 22 -32.806 -0.205 1.889 1.00 1.00 H new ATOM 0 HB3 ASN A 22 -32.856 -0.615 0.186 1.00 1.00 H new ATOM 0 HD21 ASN A 22 -36.184 -1.800 2.395 1.00 1.00 H new ATOM 0 HD22 ASN A 22 -34.571 -1.992 3.090 1.00 1.00 H new ATOM 116 N LYS A 23 -33.685 -3.940 2.713 1.00 1.00 N ATOM 117 CA LYS A 23 -34.619 -5.096 2.834 1.00 1.00 C ATOM 118 C LYS A 23 -35.692 -4.781 3.880 1.00 1.00 C ATOM 119 O LYS A 23 -36.866 -5.009 3.665 1.00 1.00 O ATOM 120 CB LYS A 23 -33.837 -6.339 3.263 1.00 1.00 C ATOM 121 CG LYS A 23 -34.538 -7.592 2.735 1.00 1.00 C ATOM 122 CD LYS A 23 -33.525 -8.474 2.002 1.00 1.00 C ATOM 123 CE LYS A 23 -34.192 -9.789 1.597 1.00 1.00 C ATOM 124 NZ LYS A 23 -33.145 -10.789 1.243 1.00 1.00 N ATOM 0 H LYS A 23 -33.342 -3.564 3.597 1.00 1.00 H new ATOM 0 HA LYS A 23 -35.096 -5.280 1.871 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -32.818 -6.291 2.879 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -33.767 -6.380 4.350 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -34.988 -8.145 3.560 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -35.347 -7.312 2.061 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -33.149 -7.957 1.119 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -32.667 -8.672 2.645 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -34.807 -10.164 2.415 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -34.856 -9.626 0.748 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -33.598 -11.684 0.967 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -32.576 -10.430 0.450 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -32.529 -10.952 2.065 1.00 1.00 H new ATOM 125 N TYR A 24 -35.301 -4.258 5.011 1.00 1.00 N ATOM 126 CA TYR A 24 -36.303 -3.929 6.065 1.00 1.00 C ATOM 127 C TYR A 24 -36.706 -2.459 5.934 1.00 1.00 C ATOM 128 O TYR A 24 -37.706 -2.026 6.471 1.00 1.00 O ATOM 129 CB TYR A 24 -35.691 -4.172 7.447 1.00 1.00 C ATOM 130 CG TYR A 24 -35.189 -5.594 7.535 1.00 1.00 C ATOM 131 CD1 TYR A 24 -33.972 -5.946 6.936 1.00 1.00 C ATOM 132 CD2 TYR A 24 -35.940 -6.562 8.216 1.00 1.00 C ATOM 133 CE1 TYR A 24 -33.506 -7.264 7.018 1.00 1.00 C ATOM 134 CE2 TYR A 24 -35.474 -7.881 8.298 1.00 1.00 C ATOM 135 CZ TYR A 24 -34.257 -8.232 7.699 1.00 1.00 C ATOM 136 OH TYR A 24 -33.797 -9.530 7.779 1.00 1.00 O ATOM 0 H TYR A 24 -34.333 -4.045 5.250 1.00 1.00 H new ATOM 0 HA TYR A 24 -37.182 -4.562 5.945 1.00 1.00 H new ATOM 0 HB2 TYR A 24 -34.871 -3.475 7.621 1.00 1.00 H new ATOM 0 HB3 TYR A 24 -36.435 -3.989 8.223 1.00 1.00 H new ATOM 0 HD1 TYR A 24 -33.393 -5.201 6.411 1.00 1.00 H new ATOM 0 HD2 TYR A 24 -36.878 -6.291 8.678 1.00 1.00 H new ATOM 0 HE1 TYR A 24 -32.568 -7.535 6.556 1.00 1.00 H new ATOM 0 HE2 TYR A 24 -36.053 -8.627 8.823 1.00 1.00 H new ATOM 0 HH TYR A 24 -34.436 -10.073 8.286 1.00 1.00 H new ATOM 137 N PHE A 25 -35.933 -1.692 5.216 1.00 1.00 N ATOM 138 CA PHE A 25 -36.258 -0.254 5.033 1.00 1.00 C ATOM 139 C PHE A 25 -37.043 -0.079 3.731 1.00 1.00 C ATOM 140 O PHE A 25 -37.876 -0.893 3.384 1.00 1.00 O ATOM 141 CB PHE A 25 -34.957 0.550 4.959 1.00 1.00 C ATOM 142 CG PHE A 25 -33.916 -0.075 5.855 1.00 1.00 C ATOM 143 CD1 PHE A 25 -33.878 0.249 7.218 1.00 1.00 C ATOM 144 CD2 PHE A 25 -32.985 -0.976 5.322 1.00 1.00 C ATOM 145 CE1 PHE A 25 -32.908 -0.329 8.048 1.00 1.00 C ATOM 146 CE2 PHE A 25 -32.016 -1.554 6.152 1.00 1.00 C ATOM 147 CZ PHE A 25 -31.977 -1.230 7.515 1.00 1.00 C ATOM 0 H PHE A 25 -35.084 -2.005 4.745 1.00 1.00 H new ATOM 0 HA PHE A 25 -36.858 0.101 5.871 1.00 1.00 H new ATOM 0 HB2 PHE A 25 -34.595 0.579 3.931 1.00 1.00 H new ATOM 0 HB3 PHE A 25 -35.139 1.581 5.262 1.00 1.00 H new ATOM 0 HD1 PHE A 25 -34.596 0.944 7.628 1.00 1.00 H new ATOM 0 HD2 PHE A 25 -33.014 -1.225 4.271 1.00 1.00 H new ATOM 0 HE1 PHE A 25 -32.878 -0.080 9.098 1.00 1.00 H new ATOM 0 HE2 PHE A 25 -31.299 -2.249 5.742 1.00 1.00 H new ATOM 0 HZ PHE A 25 -31.229 -1.675 8.155 1.00 1.00 H new ATOM 148 N SER A 26 -36.785 0.974 3.007 1.00 1.00 N ATOM 149 CA SER A 26 -37.517 1.198 1.728 1.00 1.00 C ATOM 150 C SER A 26 -36.519 1.521 0.613 1.00 1.00 C ATOM 151 O SER A 26 -36.618 1.011 -0.486 1.00 1.00 O ATOM 152 CB SER A 26 -38.488 2.367 1.894 1.00 1.00 C ATOM 153 OG SER A 26 -38.477 2.800 3.248 1.00 1.00 O ATOM 0 H SER A 26 -36.099 1.690 3.245 1.00 1.00 H new ATOM 0 HA SER A 26 -38.072 0.296 1.468 1.00 1.00 H new ATOM 0 HB2 SER A 26 -38.203 3.188 1.236 1.00 1.00 H new ATOM 0 HB3 SER A 26 -39.494 2.062 1.606 1.00 1.00 H new ATOM 0 HG SER A 26 -39.098 3.551 3.356 1.00 1.00 H new ATOM 154 N ASN A 27 -35.560 2.367 0.880 1.00 1.00 N ATOM 155 CA ASN A 27 -34.565 2.719 -0.173 1.00 1.00 C ATOM 156 C ASN A 27 -33.162 2.768 0.436 1.00 1.00 C ATOM 157 O ASN A 27 -32.304 3.499 -0.019 1.00 1.00 O ATOM 158 CB ASN A 27 -34.911 4.088 -0.764 1.00 1.00 C ATOM 159 CG ASN A 27 -36.131 3.957 -1.678 1.00 1.00 C ATOM 160 OD1 ASN A 27 -37.248 3.864 -1.209 1.00 1.00 O ATOM 161 ND2 ASN A 27 -35.965 3.946 -2.972 1.00 1.00 N ATOM 0 H ASN A 27 -35.423 2.828 1.779 1.00 1.00 H new ATOM 0 HA ASN A 27 -34.591 1.964 -0.959 1.00 1.00 H new ATOM 0 HB2 ASN A 27 -35.117 4.799 0.036 1.00 1.00 H new ATOM 0 HB3 ASN A 27 -34.063 4.478 -1.326 1.00 1.00 H new ATOM 0 HD21 ASN A 27 -36.773 3.859 -3.589 1.00 1.00 H new ATOM 0 HD22 ASN A 27 -35.028 4.024 -3.367 1.00 1.00 H new ATOM 162 N ILE A 28 -32.919 1.999 1.461 1.00 1.00 N ATOM 163 CA ILE A 28 -31.569 2.007 2.095 1.00 1.00 C ATOM 164 C ILE A 28 -30.715 0.878 1.509 1.00 1.00 C ATOM 165 O ILE A 28 -30.722 -0.236 1.993 1.00 1.00 O ATOM 166 CB ILE A 28 -31.714 1.810 3.605 1.00 1.00 C ATOM 167 CG1 ILE A 28 -32.896 2.638 4.111 1.00 1.00 C ATOM 168 CG2 ILE A 28 -30.435 2.271 4.306 1.00 1.00 C ATOM 169 CD1 ILE A 28 -32.767 4.074 3.602 1.00 1.00 C ATOM 0 H ILE A 28 -33.595 1.366 1.887 1.00 1.00 H new ATOM 0 HA ILE A 28 -31.083 2.963 1.898 1.00 1.00 H new ATOM 0 HB ILE A 28 -31.886 0.755 3.820 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -33.834 2.202 3.767 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -32.921 2.628 5.201 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -30.539 2.130 5.382 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -29.590 1.686 3.943 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -30.263 3.326 4.093 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -33.609 4.665 3.962 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -31.836 4.508 3.968 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -32.763 4.075 2.512 1.00 1.00 H new ATOM 170 N HIS A 29 -29.973 1.163 0.473 1.00 1.00 N ATOM 171 CA HIS A 29 -29.111 0.112 -0.144 1.00 1.00 C ATOM 172 C HIS A 29 -27.655 0.581 -0.134 1.00 1.00 C ATOM 173 O HIS A 29 -27.368 1.735 0.119 1.00 1.00 O ATOM 174 CB HIS A 29 -29.551 -0.153 -1.591 1.00 1.00 C ATOM 175 CG HIS A 29 -30.275 1.046 -2.144 1.00 1.00 C ATOM 176 ND1 HIS A 29 -29.758 2.330 -2.060 1.00 1.00 N ATOM 177 CD2 HIS A 29 -31.478 1.169 -2.794 1.00 1.00 C ATOM 178 CE1 HIS A 29 -30.640 3.161 -2.645 1.00 1.00 C ATOM 179 NE2 HIS A 29 -31.707 2.505 -3.109 1.00 1.00 N ATOM 0 H HIS A 29 -29.926 2.079 0.026 1.00 1.00 H new ATOM 0 HA HIS A 29 -29.208 -0.809 0.430 1.00 1.00 H new ATOM 0 HB2 HIS A 29 -28.681 -0.377 -2.208 1.00 1.00 H new ATOM 0 HB3 HIS A 29 -30.201 -1.027 -1.627 1.00 1.00 H new ATOM 0 HD2 HIS A 29 -32.146 0.352 -3.026 1.00 1.00 H new ATOM 0 HE1 HIS A 29 -30.502 4.229 -2.729 1.00 1.00 H new ATOM 0 HE2 HIS A 29 -32.516 2.899 -3.591 1.00 1.00 H new ATOM 180 N TRP A 30 -26.732 -0.302 -0.403 1.00 1.00 N ATOM 181 CA TRP A 30 -25.297 0.098 -0.403 1.00 1.00 C ATOM 182 C TRP A 30 -24.430 -1.113 -0.751 1.00 1.00 C ATOM 183 O TRP A 30 -24.929 -2.168 -1.087 1.00 1.00 O ATOM 184 CB TRP A 30 -24.918 0.617 0.986 1.00 1.00 C ATOM 185 CG TRP A 30 -25.160 -0.453 2.001 1.00 1.00 C ATOM 186 CD1 TRP A 30 -24.305 -1.459 2.297 1.00 1.00 C ATOM 187 CD2 TRP A 30 -26.320 -0.637 2.858 1.00 1.00 C ATOM 188 NE1 TRP A 30 -24.871 -2.250 3.283 1.00 1.00 N ATOM 189 CE2 TRP A 30 -26.113 -1.783 3.661 1.00 1.00 C ATOM 190 CE3 TRP A 30 -27.520 0.075 3.011 1.00 1.00 C ATOM 191 CZ2 TRP A 30 -27.068 -2.207 4.587 1.00 1.00 C ATOM 192 CZ3 TRP A 30 -28.486 -0.347 3.941 1.00 1.00 C ATOM 193 CH2 TRP A 30 -28.259 -1.487 4.727 1.00 1.00 C ATOM 0 H TRP A 30 -26.910 -1.282 -0.623 1.00 1.00 H new ATOM 0 HA TRP A 30 -25.135 0.882 -1.143 1.00 1.00 H new ATOM 0 HB2 TRP A 30 -23.870 0.917 1.001 1.00 1.00 H new ATOM 0 HB3 TRP A 30 -25.506 1.502 1.228 1.00 1.00 H new ATOM 0 HD1 TRP A 30 -23.340 -1.619 1.840 1.00 1.00 H new ATOM 0 HE1 TRP A 30 -24.424 -3.076 3.681 1.00 1.00 H new ATOM 0 HE3 TRP A 30 -27.702 0.953 2.410 1.00 1.00 H new ATOM 0 HZ2 TRP A 30 -26.888 -3.084 5.191 1.00 1.00 H new ATOM 0 HZ3 TRP A 30 -29.406 0.208 4.051 1.00 1.00 H new ATOM 0 HH2 TRP A 30 -29.004 -1.808 5.440 1.00 1.00 H new ATOM 194 N CYS A 31 -23.135 -0.972 -0.674 1.00 1.00 N ATOM 195 CA CYS A 31 -22.241 -2.119 -1.001 1.00 1.00 C ATOM 196 C CYS A 31 -21.346 -2.423 0.202 1.00 1.00 C ATOM 197 O CYS A 31 -21.107 -1.575 1.039 1.00 1.00 O ATOM 198 CB CYS A 31 -21.371 -1.764 -2.209 1.00 1.00 C ATOM 199 SG CYS A 31 -20.160 -3.080 -2.485 1.00 1.00 S ATOM 0 H CYS A 31 -22.658 -0.113 -0.399 1.00 1.00 H new ATOM 0 HA CYS A 31 -22.845 -2.995 -1.237 1.00 1.00 H new ATOM 0 HB2 CYS A 31 -21.994 -1.636 -3.094 1.00 1.00 H new ATOM 0 HB3 CYS A 31 -20.861 -0.816 -2.038 1.00 1.00 H new ATOM 200 N ASN A 32 -20.852 -3.627 0.298 1.00 1.00 N ATOM 201 CA ASN A 32 -19.975 -3.982 1.450 1.00 1.00 C ATOM 202 C ASN A 32 -18.895 -4.963 0.990 1.00 1.00 C ATOM 203 O ASN A 32 -19.151 -6.132 0.787 1.00 1.00 O ATOM 204 CB ASN A 32 -20.820 -4.631 2.548 1.00 1.00 C ATOM 205 CG ASN A 32 -20.772 -3.764 3.807 1.00 1.00 C ATOM 206 OD1 ASN A 32 -19.708 -3.417 4.281 1.00 1.00 O ATOM 207 ND2 ASN A 32 -21.888 -3.397 4.373 1.00 1.00 N ATOM 0 H ASN A 32 -21.017 -4.379 -0.370 1.00 1.00 H new ATOM 0 HA ASN A 32 -19.501 -3.080 1.838 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -21.850 -4.744 2.210 1.00 1.00 H new ATOM 0 HB3 ASN A 32 -20.445 -5.631 2.767 1.00 1.00 H new ATOM 0 HD21 ASN A 32 -21.868 -2.819 5.213 1.00 1.00 H new ATOM 0 HD22 ASN A 32 -22.781 -3.688 3.976 1.00 1.00 H new ATOM 208 N CYS A 33 -17.687 -4.496 0.827 1.00 1.00 N ATOM 209 CA CYS A 33 -16.592 -5.400 0.385 1.00 1.00 C ATOM 210 C CYS A 33 -15.691 -5.718 1.583 1.00 1.00 C ATOM 211 O CYS A 33 -15.943 -5.256 2.678 1.00 1.00 O ATOM 212 CB CYS A 33 -15.788 -4.707 -0.718 1.00 1.00 C ATOM 213 SG CYS A 33 -14.228 -4.081 -0.048 1.00 1.00 S ATOM 0 H CYS A 33 -17.413 -3.526 0.982 1.00 1.00 H new ATOM 0 HA CYS A 33 -17.003 -6.331 -0.006 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -15.590 -5.407 -1.529 1.00 1.00 H new ATOM 0 HB3 CYS A 33 -16.367 -3.886 -1.140 1.00 1.00 H new ATOM 214 N PRO A 34 -14.673 -6.504 1.346 1.00 1.00 N ATOM 215 CA PRO A 34 -13.746 -6.893 2.397 1.00 1.00 C ATOM 216 C PRO A 34 -13.337 -5.672 3.227 1.00 1.00 C ATOM 217 O PRO A 34 -13.121 -4.596 2.704 1.00 1.00 O ATOM 218 CB PRO A 34 -12.555 -7.480 1.651 1.00 1.00 C ATOM 219 CG PRO A 34 -13.186 -8.003 0.322 1.00 1.00 C ATOM 220 CD PRO A 34 -14.377 -7.051 0.013 1.00 1.00 C ATOM 0 HA PRO A 34 -14.178 -7.605 3.100 1.00 1.00 H new ATOM 0 HB2 PRO A 34 -11.788 -6.729 1.464 1.00 1.00 H new ATOM 0 HB3 PRO A 34 -12.083 -8.284 2.216 1.00 1.00 H new ATOM 0 HG2 PRO A 34 -12.457 -7.992 -0.488 1.00 1.00 H new ATOM 0 HG3 PRO A 34 -13.527 -9.033 0.430 1.00 1.00 H new ATOM 0 HD2 PRO A 34 -14.104 -6.271 -0.698 1.00 1.00 H new ATOM 0 HD3 PRO A 34 -15.229 -7.584 -0.409 1.00 1.00 H new ATOM 221 N LYS A 35 -13.237 -5.831 4.519 1.00 1.00 N ATOM 222 CA LYS A 35 -12.850 -4.683 5.388 1.00 1.00 C ATOM 223 C LYS A 35 -11.408 -4.273 5.086 1.00 1.00 C ATOM 224 O LYS A 35 -11.048 -3.117 5.182 1.00 1.00 O ATOM 225 CB LYS A 35 -12.966 -5.096 6.857 1.00 1.00 C ATOM 226 CG LYS A 35 -12.114 -6.342 7.106 1.00 1.00 C ATOM 227 CD LYS A 35 -12.753 -7.188 8.209 1.00 1.00 C ATOM 228 CE LYS A 35 -11.666 -7.970 8.948 1.00 1.00 C ATOM 229 NZ LYS A 35 -12.180 -8.401 10.279 1.00 1.00 N ATOM 0 H LYS A 35 -13.407 -6.708 5.011 1.00 1.00 H new ATOM 0 HA LYS A 35 -13.513 -3.841 5.192 1.00 1.00 H new ATOM 0 HB2 LYS A 35 -12.635 -4.282 7.502 1.00 1.00 H new ATOM 0 HB3 LYS A 35 -14.007 -5.298 7.108 1.00 1.00 H new ATOM 0 HG2 LYS A 35 -12.028 -6.926 6.189 1.00 1.00 H new ATOM 0 HG3 LYS A 35 -11.104 -6.052 7.395 1.00 1.00 H new ATOM 0 HD2 LYS A 35 -13.293 -6.547 8.907 1.00 1.00 H new ATOM 0 HD3 LYS A 35 -13.481 -7.875 7.779 1.00 1.00 H new ATOM 0 HE2 LYS A 35 -11.368 -8.840 8.363 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -10.778 -7.350 9.073 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -11.441 -8.933 10.781 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 -12.444 -7.564 10.837 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 -13.015 -9.008 10.149 1.00 1.00 H new ATOM 230 N LYS A 36 -10.578 -5.211 4.721 1.00 1.00 N ATOM 231 CA LYS A 36 -9.160 -4.872 4.413 1.00 1.00 C ATOM 232 C LYS A 36 -9.091 -4.110 3.088 1.00 1.00 C ATOM 233 O LYS A 36 -8.037 -3.678 2.666 1.00 1.00 O ATOM 234 CB LYS A 36 -8.340 -6.159 4.302 1.00 1.00 C ATOM 235 CG LYS A 36 -9.124 -7.196 3.496 1.00 1.00 C ATOM 236 CD LYS A 36 -8.152 -8.188 2.855 1.00 1.00 C ATOM 237 CE LYS A 36 -7.927 -9.367 3.804 1.00 1.00 C ATOM 238 NZ LYS A 36 -7.136 -8.911 4.982 1.00 1.00 N ATOM 0 H LYS A 36 -10.820 -6.197 4.623 1.00 1.00 H new ATOM 0 HA LYS A 36 -8.756 -4.250 5.211 1.00 1.00 H new ATOM 0 HB2 LYS A 36 -7.385 -5.954 3.819 1.00 1.00 H new ATOM 0 HB3 LYS A 36 -8.117 -6.548 5.296 1.00 1.00 H new ATOM 0 HG2 LYS A 36 -9.823 -7.724 4.145 1.00 1.00 H new ATOM 0 HG3 LYS A 36 -9.716 -6.701 2.726 1.00 1.00 H new ATOM 0 HD2 LYS A 36 -8.552 -8.543 1.905 1.00 1.00 H new ATOM 0 HD3 LYS A 36 -7.204 -7.696 2.638 1.00 1.00 H new ATOM 0 HE2 LYS A 36 -8.884 -9.773 4.130 1.00 1.00 H new ATOM 0 HE3 LYS A 36 -7.400 -10.169 3.287 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 -6.525 -9.686 5.311 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 -6.548 -8.097 4.711 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 -7.783 -8.631 5.747 1.00 1.00 H new ATOM 239 N PHE A 37 -10.204 -3.941 2.426 1.00 1.00 N ATOM 240 CA PHE A 37 -10.192 -3.209 1.129 1.00 1.00 C ATOM 241 C PHE A 37 -10.529 -1.735 1.368 1.00 1.00 C ATOM 242 O PHE A 37 -10.572 -1.272 2.490 1.00 1.00 O ATOM 243 CB PHE A 37 -11.237 -3.810 0.187 1.00 1.00 C ATOM 244 CG PHE A 37 -10.762 -5.143 -0.347 1.00 1.00 C ATOM 245 CD1 PHE A 37 -9.688 -5.811 0.261 1.00 1.00 C ATOM 246 CD2 PHE A 37 -11.400 -5.712 -1.457 1.00 1.00 C ATOM 247 CE1 PHE A 37 -9.255 -7.045 -0.243 1.00 1.00 C ATOM 248 CE2 PHE A 37 -10.966 -6.945 -1.960 1.00 1.00 C ATOM 249 CZ PHE A 37 -9.894 -7.612 -1.353 1.00 1.00 C ATOM 0 H PHE A 37 -11.118 -4.278 2.727 1.00 1.00 H new ATOM 0 HA PHE A 37 -9.202 -3.294 0.682 1.00 1.00 H new ATOM 0 HB2 PHE A 37 -12.181 -3.939 0.716 1.00 1.00 H new ATOM 0 HB3 PHE A 37 -11.426 -3.126 -0.640 1.00 1.00 H new ATOM 0 HD1 PHE A 37 -9.195 -5.374 1.117 1.00 1.00 H new ATOM 0 HD2 PHE A 37 -12.227 -5.199 -1.925 1.00 1.00 H new ATOM 0 HE1 PHE A 37 -8.428 -7.559 0.225 1.00 1.00 H new ATOM 0 HE2 PHE A 37 -11.458 -7.382 -2.816 1.00 1.00 H new ATOM 0 HZ PHE A 37 -9.560 -8.563 -1.741 1.00 1.00 H new ATOM 250 N GLY A 38 -10.773 -0.996 0.318 1.00 1.00 N ATOM 251 CA GLY A 38 -11.113 0.446 0.481 1.00 1.00 C ATOM 252 C GLY A 38 -10.844 1.188 -0.830 1.00 1.00 C ATOM 253 O GLY A 38 -10.469 0.598 -1.824 1.00 1.00 O ATOM 0 H GLY A 38 -10.751 -1.330 -0.646 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -12.160 0.553 0.763 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -10.520 0.881 1.285 1.00 1.00 H new ATOM 254 N GLY A 39 -11.031 2.480 -0.838 1.00 1.00 N ATOM 255 CA GLY A 39 -10.785 3.265 -2.080 1.00 1.00 C ATOM 256 C GLY A 39 -12.081 3.396 -2.879 1.00 1.00 C ATOM 257 O GLY A 39 -12.451 2.508 -3.616 1.00 1.00 O ATOM 0 H GLY A 39 -11.344 3.026 -0.036 1.00 1.00 H new ATOM 0 HA2 GLY A 39 -10.403 4.254 -1.826 1.00 1.00 H new ATOM 0 HA3 GLY A 39 -10.023 2.775 -2.685 1.00 1.00 H new ATOM 258 N GLN A 40 -12.757 4.511 -2.740 1.00 1.00 N ATOM 259 CA GLN A 40 -14.031 4.749 -3.489 1.00 1.00 C ATOM 260 C GLN A 40 -14.818 3.447 -3.671 1.00 1.00 C ATOM 261 O GLN A 40 -15.684 3.117 -2.885 1.00 1.00 O ATOM 262 CB GLN A 40 -13.706 5.336 -4.863 1.00 1.00 C ATOM 263 CG GLN A 40 -13.487 6.844 -4.735 1.00 1.00 C ATOM 264 CD GLN A 40 -14.032 7.547 -5.980 1.00 1.00 C ATOM 265 OE1 GLN A 40 -15.136 7.277 -6.410 1.00 1.00 O ATOM 266 NE2 GLN A 40 -13.300 8.444 -6.581 1.00 1.00 N ATOM 0 H GLN A 40 -12.475 5.278 -2.130 1.00 1.00 H new ATOM 0 HA GLN A 40 -14.643 5.444 -2.914 1.00 1.00 H new ATOM 0 HB2 GLN A 40 -12.813 4.862 -5.271 1.00 1.00 H new ATOM 0 HB3 GLN A 40 -14.521 5.134 -5.558 1.00 1.00 H new ATOM 0 HG2 GLN A 40 -13.988 7.220 -3.843 1.00 1.00 H new ATOM 0 HG3 GLN A 40 -12.425 7.059 -4.619 1.00 1.00 H new ATOM 0 HE21 GLN A 40 -12.373 8.671 -6.220 1.00 1.00 H new ATOM 0 HE22 GLN A 40 -13.654 8.918 -7.411 1.00 1.00 H new ATOM 267 N HIS A 41 -14.529 2.711 -4.710 1.00 1.00 N ATOM 268 CA HIS A 41 -15.263 1.438 -4.955 1.00 1.00 C ATOM 269 C HIS A 41 -14.479 0.272 -4.354 1.00 1.00 C ATOM 270 O HIS A 41 -14.292 -0.751 -4.982 1.00 1.00 O ATOM 271 CB HIS A 41 -15.419 1.223 -6.462 1.00 1.00 C ATOM 272 CG HIS A 41 -16.394 2.225 -7.014 1.00 1.00 C ATOM 273 ND1 HIS A 41 -17.625 1.851 -7.530 1.00 1.00 N ATOM 274 CD2 HIS A 41 -16.335 3.591 -7.139 1.00 1.00 C ATOM 275 CE1 HIS A 41 -18.251 2.970 -7.938 1.00 1.00 C ATOM 276 NE2 HIS A 41 -17.508 4.060 -7.723 1.00 1.00 N ATOM 0 H HIS A 41 -13.814 2.938 -5.401 1.00 1.00 H new ATOM 0 HA HIS A 41 -16.247 1.491 -4.490 1.00 1.00 H new ATOM 0 HB2 HIS A 41 -14.454 1.329 -6.957 1.00 1.00 H new ATOM 0 HB3 HIS A 41 -15.770 0.210 -6.661 1.00 1.00 H new ATOM 0 HD2 HIS A 41 -15.504 4.208 -6.831 1.00 1.00 H new ATOM 0 HE1 HIS A 41 -19.234 2.986 -8.385 1.00 1.00 H new ATOM 0 HE2 HIS A 41 -17.749 5.027 -7.940 1.00 1.00 H new ATOM 277 N CYS A 42 -14.019 0.421 -3.142 1.00 1.00 N ATOM 278 CA CYS A 42 -13.247 -0.675 -2.495 1.00 1.00 C ATOM 279 C CYS A 42 -12.270 -1.279 -3.504 1.00 1.00 C ATOM 280 O CYS A 42 -12.229 -2.478 -3.706 1.00 1.00 O ATOM 281 CB CYS A 42 -14.211 -1.756 -1.991 1.00 1.00 C ATOM 282 SG CYS A 42 -13.297 -3.281 -1.655 1.00 1.00 S ATOM 0 H CYS A 42 -14.145 1.257 -2.571 1.00 1.00 H new ATOM 0 HA CYS A 42 -12.687 -0.274 -1.650 1.00 1.00 H new ATOM 0 HB2 CYS A 42 -14.714 -1.415 -1.086 1.00 1.00 H new ATOM 0 HB3 CYS A 42 -14.986 -1.941 -2.735 1.00 1.00 H new ATOM 283 N GLU A 43 -11.486 -0.452 -4.141 1.00 1.00 N ATOM 284 CA GLU A 43 -10.502 -0.958 -5.135 1.00 1.00 C ATOM 285 C GLU A 43 -9.095 -0.861 -4.543 1.00 1.00 C ATOM 286 O GLU A 43 -8.130 -0.645 -5.249 1.00 1.00 O ATOM 287 CB GLU A 43 -10.569 -0.102 -6.402 1.00 1.00 C ATOM 288 CG GLU A 43 -10.103 1.319 -6.079 1.00 1.00 C ATOM 289 CD GLU A 43 -9.016 1.738 -7.070 1.00 1.00 C ATOM 290 OE1 GLU A 43 -9.078 1.300 -8.207 1.00 1.00 O ATOM 291 OE2 GLU A 43 -8.140 2.490 -6.676 1.00 1.00 O ATOM 0 H GLU A 43 -11.487 0.560 -4.013 1.00 1.00 H new ATOM 0 HA GLU A 43 -10.733 -1.995 -5.380 1.00 1.00 H new ATOM 0 HB2 GLU A 43 -9.941 -0.535 -7.180 1.00 1.00 H new ATOM 0 HB3 GLU A 43 -11.588 -0.084 -6.789 1.00 1.00 H new ATOM 0 HG2 GLU A 43 -10.944 2.010 -6.133 1.00 1.00 H new ATOM 0 HG3 GLU A 43 -9.718 1.364 -5.060 1.00 1.00 H new ATOM 292 N ILE A 44 -8.969 -1.008 -3.253 1.00 1.00 N ATOM 293 CA ILE A 44 -7.621 -0.911 -2.624 1.00 1.00 C ATOM 294 C ILE A 44 -7.590 -1.742 -1.342 1.00 1.00 C ATOM 295 O ILE A 44 -8.545 -1.779 -0.593 1.00 1.00 O ATOM 296 CB ILE A 44 -7.321 0.550 -2.281 1.00 1.00 C ATOM 297 CG1 ILE A 44 -8.008 1.467 -3.296 1.00 1.00 C ATOM 298 CG2 ILE A 44 -5.810 0.784 -2.324 1.00 1.00 C ATOM 299 CD1 ILE A 44 -7.702 2.926 -2.956 1.00 1.00 C ATOM 0 H ILE A 44 -9.738 -1.191 -2.609 1.00 1.00 H new ATOM 0 HA ILE A 44 -6.873 -1.287 -3.321 1.00 1.00 H new ATOM 0 HB ILE A 44 -7.696 0.771 -1.282 1.00 1.00 H new ATOM 0 HG12 ILE A 44 -7.660 1.237 -4.303 1.00 1.00 H new ATOM 0 HG13 ILE A 44 -9.085 1.298 -3.284 1.00 1.00 H new ATOM 0 HG21 ILE A 44 -5.596 1.824 -2.080 1.00 1.00 H new ATOM 0 HG22 ILE A 44 -5.320 0.133 -1.600 1.00 1.00 H new ATOM 0 HG23 ILE A 44 -5.436 0.561 -3.323 1.00 1.00 H new ATOM 0 HD11 ILE A 44 -8.191 3.578 -3.679 1.00 1.00 H new ATOM 0 HD12 ILE A 44 -8.071 3.152 -1.956 1.00 1.00 H new ATOM 0 HD13 ILE A 44 -6.625 3.089 -2.991 1.00 1.00 H new ATOM 300 N ASP A 45 -6.496 -2.403 -1.080 1.00 1.00 N ATOM 301 CA ASP A 45 -6.400 -3.225 0.158 1.00 1.00 C ATOM 302 C ASP A 45 -5.942 -2.339 1.319 1.00 1.00 C ATOM 303 O ASP A 45 -5.810 -1.139 1.181 1.00 1.00 O ATOM 304 CB ASP A 45 -5.387 -4.352 -0.055 1.00 1.00 C ATOM 305 CG ASP A 45 -5.922 -5.330 -1.102 1.00 1.00 C ATOM 306 OD1 ASP A 45 -5.708 -5.085 -2.277 1.00 1.00 O ATOM 307 OD2 ASP A 45 -6.535 -6.309 -0.710 1.00 1.00 O ATOM 0 H ASP A 45 -5.664 -2.409 -1.670 1.00 1.00 H new ATOM 0 HA ASP A 45 -7.375 -3.654 0.389 1.00 1.00 H new ATOM 0 HB2 ASP A 45 -4.432 -3.940 -0.382 1.00 1.00 H new ATOM 0 HB3 ASP A 45 -5.204 -4.873 0.885 1.00 1.00 H new ATOM 308 N LYS A 46 -5.694 -2.919 2.461 1.00 1.00 N ATOM 309 CA LYS A 46 -5.242 -2.106 3.624 1.00 1.00 C ATOM 310 C LYS A 46 -4.278 -2.931 4.478 1.00 1.00 C ATOM 311 O LYS A 46 -3.980 -4.068 4.171 1.00 1.00 O ATOM 312 CB LYS A 46 -6.452 -1.704 4.470 1.00 1.00 C ATOM 313 CG LYS A 46 -7.433 -0.902 3.612 1.00 1.00 C ATOM 314 CD LYS A 46 -8.704 -0.626 4.416 1.00 1.00 C ATOM 315 CE LYS A 46 -9.309 0.708 3.976 1.00 1.00 C ATOM 316 NZ LYS A 46 -10.341 1.135 4.964 1.00 1.00 N ATOM 0 H LYS A 46 -5.785 -3.919 2.639 1.00 1.00 H new ATOM 0 HA LYS A 46 -4.737 -1.210 3.264 1.00 1.00 H new ATOM 0 HB2 LYS A 46 -6.943 -2.593 4.867 1.00 1.00 H new ATOM 0 HB3 LYS A 46 -6.130 -1.109 5.325 1.00 1.00 H new ATOM 0 HG2 LYS A 46 -6.976 0.037 3.300 1.00 1.00 H new ATOM 0 HG3 LYS A 46 -7.676 -1.455 2.705 1.00 1.00 H new ATOM 0 HD2 LYS A 46 -9.424 -1.431 4.265 1.00 1.00 H new ATOM 0 HD3 LYS A 46 -8.474 -0.599 5.481 1.00 1.00 H new ATOM 0 HE2 LYS A 46 -8.529 1.465 3.898 1.00 1.00 H new ATOM 0 HE3 LYS A 46 -9.756 0.608 2.987 1.00 1.00 H new ATOM 0 HZ1 LYS A 46 -10.753 2.042 4.666 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 -11.090 0.415 5.017 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 -9.901 1.246 5.900 1.00 1.00 H new ATOM 370 N ASN A 54 10.116 4.174 9.534 1.00 1.00 N ATOM 371 CA ASN A 54 11.105 4.841 8.641 1.00 1.00 C ATOM 372 C ASN A 54 10.883 4.378 7.200 1.00 1.00 C ATOM 373 O ASN A 54 10.818 5.174 6.285 1.00 1.00 O ATOM 374 CB ASN A 54 12.524 4.474 9.083 1.00 1.00 C ATOM 375 CG ASN A 54 12.576 2.991 9.456 1.00 1.00 C ATOM 376 OD1 ASN A 54 12.254 2.620 10.567 1.00 1.00 O ATOM 377 ND2 ASN A 54 12.970 2.121 8.567 1.00 1.00 N ATOM 0 HA ASN A 54 10.976 5.922 8.700 1.00 1.00 H new ATOM 0 HB2 ASN A 54 13.232 4.683 8.281 1.00 1.00 H new ATOM 0 HB3 ASN A 54 12.820 5.085 9.936 1.00 1.00 H new ATOM 0 HD21 ASN A 54 13.008 1.130 8.805 1.00 1.00 H new ATOM 0 HD22 ASN A 54 13.240 2.432 7.634 1.00 1.00 H new ATOM 378 N GLY A 55 10.765 3.095 6.991 1.00 1.00 N ATOM 379 CA GLY A 55 10.547 2.582 5.609 1.00 1.00 C ATOM 380 C GLY A 55 11.798 1.839 5.138 1.00 1.00 C ATOM 381 O GLY A 55 12.346 2.126 4.092 1.00 1.00 O ATOM 0 H GLY A 55 10.810 2.380 7.717 1.00 1.00 H new ATOM 0 HA2 GLY A 55 9.685 1.915 5.589 1.00 1.00 H new ATOM 0 HA3 GLY A 55 10.326 3.408 4.933 1.00 1.00 H new ATOM 382 N HIS A 56 12.254 0.885 5.902 1.00 1.00 N ATOM 383 CA HIS A 56 13.470 0.124 5.499 1.00 1.00 C ATOM 384 C HIS A 56 13.051 -1.192 4.840 1.00 1.00 C ATOM 385 O HIS A 56 13.796 -1.784 4.084 1.00 1.00 O ATOM 386 CB HIS A 56 14.319 -0.172 6.736 1.00 1.00 C ATOM 387 CG HIS A 56 15.505 -1.008 6.342 1.00 1.00 C ATOM 388 ND1 HIS A 56 16.414 -0.593 5.381 1.00 1.00 N ATOM 389 CD2 HIS A 56 15.946 -2.236 6.769 1.00 1.00 C ATOM 390 CE1 HIS A 56 17.346 -1.556 5.263 1.00 1.00 C ATOM 391 NE2 HIS A 56 17.109 -2.580 6.086 1.00 1.00 N ATOM 0 H HIS A 56 11.837 0.599 6.788 1.00 1.00 H new ATOM 0 HA HIS A 56 14.052 0.715 4.792 1.00 1.00 H new ATOM 0 HB2 HIS A 56 14.653 0.760 7.192 1.00 1.00 H new ATOM 0 HB3 HIS A 56 13.723 -0.697 7.482 1.00 1.00 H new ATOM 0 HD1 HIS A 56 16.382 0.283 4.859 1.00 1.00 H new ATOM 0 HD2 HIS A 56 15.464 -2.843 7.521 1.00 1.00 H new ATOM 0 HE1 HIS A 56 18.185 -1.507 4.584 1.00 1.00 H new ATOM 392 N PHE A 57 11.864 -1.654 5.121 1.00 1.00 N ATOM 393 CA PHE A 57 11.397 -2.932 4.512 1.00 1.00 C ATOM 394 C PHE A 57 9.919 -2.807 4.138 1.00 1.00 C ATOM 395 O PHE A 57 9.051 -2.816 4.988 1.00 1.00 O ATOM 396 CB PHE A 57 11.575 -4.073 5.516 1.00 1.00 C ATOM 397 CG PHE A 57 11.338 -3.556 6.915 1.00 1.00 C ATOM 398 CD1 PHE A 57 10.039 -3.522 7.438 1.00 1.00 C ATOM 399 CD2 PHE A 57 12.418 -3.111 7.689 1.00 1.00 C ATOM 400 CE1 PHE A 57 9.819 -3.042 8.736 1.00 1.00 C ATOM 401 CE2 PHE A 57 12.198 -2.631 8.987 1.00 1.00 C ATOM 402 CZ PHE A 57 10.899 -2.597 9.510 1.00 1.00 C ATOM 0 H PHE A 57 11.197 -1.202 5.746 1.00 1.00 H new ATOM 0 HA PHE A 57 11.982 -3.143 3.617 1.00 1.00 H new ATOM 0 HB2 PHE A 57 10.877 -4.880 5.292 1.00 1.00 H new ATOM 0 HB3 PHE A 57 12.580 -4.488 5.436 1.00 1.00 H new ATOM 0 HD1 PHE A 57 9.207 -3.866 6.841 1.00 1.00 H new ATOM 0 HD2 PHE A 57 13.419 -3.138 7.285 1.00 1.00 H new ATOM 0 HE1 PHE A 57 8.818 -3.015 9.140 1.00 1.00 H new ATOM 0 HE2 PHE A 57 13.030 -2.287 9.584 1.00 1.00 H new ATOM 0 HZ PHE A 57 10.730 -2.228 10.511 1.00 1.00 H new ATOM 403 N TYR A 58 9.625 -2.691 2.872 1.00 1.00 N ATOM 404 CA TYR A 58 8.202 -2.565 2.447 1.00 1.00 C ATOM 405 C TYR A 58 8.121 -2.608 0.920 1.00 1.00 C ATOM 406 O TYR A 58 7.465 -3.456 0.348 1.00 1.00 O ATOM 407 CB TYR A 58 7.637 -1.236 2.952 1.00 1.00 C ATOM 408 CG TYR A 58 6.297 -0.978 2.306 1.00 1.00 C ATOM 409 CD1 TYR A 58 5.473 -2.054 1.948 1.00 1.00 C ATOM 410 CD2 TYR A 58 5.877 0.336 2.064 1.00 1.00 C ATOM 411 CE1 TYR A 58 4.229 -1.814 1.348 1.00 1.00 C ATOM 412 CE2 TYR A 58 4.634 0.576 1.464 1.00 1.00 C ATOM 413 CZ TYR A 58 3.810 -0.499 1.106 1.00 1.00 C ATOM 414 OH TYR A 58 2.585 -0.264 0.515 1.00 1.00 O ATOM 0 H TYR A 58 10.308 -2.678 2.114 1.00 1.00 H new ATOM 0 HA TYR A 58 7.622 -3.388 2.864 1.00 1.00 H new ATOM 0 HB2 TYR A 58 7.530 -1.263 4.036 1.00 1.00 H new ATOM 0 HB3 TYR A 58 8.326 -0.424 2.720 1.00 1.00 H new ATOM 0 HD1 TYR A 58 5.796 -3.067 2.134 1.00 1.00 H new ATOM 0 HD2 TYR A 58 6.512 1.165 2.340 1.00 1.00 H new ATOM 0 HE1 TYR A 58 3.594 -2.643 1.072 1.00 1.00 H new ATOM 0 HE2 TYR A 58 4.311 1.590 1.277 1.00 1.00 H new ATOM 0 HH TYR A 58 2.448 0.702 0.420 1.00 1.00 H new ATOM 415 N ARG A 59 8.782 -1.701 0.254 1.00 1.00 N ATOM 416 CA ARG A 59 8.741 -1.694 -1.235 1.00 1.00 C ATOM 417 C ARG A 59 7.304 -1.458 -1.704 1.00 1.00 C ATOM 418 O ARG A 59 6.741 -2.250 -2.434 1.00 1.00 O ATOM 419 CB ARG A 59 9.236 -3.041 -1.765 1.00 1.00 C ATOM 420 CG ARG A 59 10.576 -3.386 -1.112 1.00 1.00 C ATOM 421 CD ARG A 59 10.805 -4.897 -1.182 1.00 1.00 C ATOM 422 NE ARG A 59 11.627 -5.219 -2.383 1.00 1.00 N ATOM 423 CZ ARG A 59 12.240 -6.368 -2.464 1.00 1.00 C ATOM 424 NH1 ARG A 59 13.139 -6.692 -1.575 1.00 1.00 N ATOM 425 NH2 ARG A 59 11.954 -7.193 -3.434 1.00 1.00 N ATOM 0 H ARG A 59 9.348 -0.965 0.677 1.00 1.00 H new ATOM 0 HA ARG A 59 9.382 -0.897 -1.613 1.00 1.00 H new ATOM 0 HB2 ARG A 59 8.504 -3.819 -1.550 1.00 1.00 H new ATOM 0 HB3 ARG A 59 9.348 -2.999 -2.848 1.00 1.00 H new ATOM 0 HG2 ARG A 59 11.385 -2.861 -1.619 1.00 1.00 H new ATOM 0 HG3 ARG A 59 10.583 -3.054 -0.074 1.00 1.00 H new ATOM 0 HD2 ARG A 59 11.310 -5.241 -0.279 1.00 1.00 H new ATOM 0 HD3 ARG A 59 9.849 -5.419 -1.232 1.00 1.00 H new ATOM 0 HE ARG A 59 11.710 -4.542 -3.141 1.00 1.00 H new ATOM 0 HH11 ARG A 59 13.362 -6.047 -0.817 1.00 1.00 H new ATOM 0 HH12 ARG A 59 13.618 -7.590 -1.638 1.00 1.00 H new ATOM 0 HH21 ARG A 59 11.251 -6.940 -4.129 1.00 1.00 H new ATOM 0 HH22 ARG A 59 12.433 -8.091 -3.497 1.00 1.00 H new ATOM 426 N GLY A 60 6.705 -0.375 -1.291 1.00 1.00 N ATOM 427 CA GLY A 60 5.305 -0.090 -1.713 1.00 1.00 C ATOM 428 C GLY A 60 5.261 0.138 -3.225 1.00 1.00 C ATOM 429 O GLY A 60 5.049 -0.778 -3.995 1.00 1.00 O ATOM 0 H GLY A 60 7.125 0.325 -0.679 1.00 1.00 H new ATOM 0 HA2 GLY A 60 4.656 -0.923 -1.442 1.00 1.00 H new ATOM 0 HA3 GLY A 60 4.929 0.790 -1.191 1.00 1.00 H new ATOM 430 N LYS A 61 5.460 1.353 -3.656 1.00 1.00 N ATOM 431 CA LYS A 61 5.430 1.640 -5.118 1.00 1.00 C ATOM 432 C LYS A 61 5.841 3.093 -5.359 1.00 1.00 C ATOM 433 O LYS A 61 5.015 3.983 -5.401 1.00 1.00 O ATOM 434 CB LYS A 61 4.013 1.415 -5.652 1.00 1.00 C ATOM 435 CG LYS A 61 4.074 0.565 -6.922 1.00 1.00 C ATOM 436 CD LYS A 61 3.326 1.278 -8.050 1.00 1.00 C ATOM 437 CE LYS A 61 1.819 1.104 -7.854 1.00 1.00 C ATOM 438 NZ LYS A 61 1.362 -0.115 -8.579 1.00 1.00 N ATOM 0 H LYS A 61 5.642 2.160 -3.059 1.00 1.00 H new ATOM 0 HA LYS A 61 6.123 0.976 -5.634 1.00 1.00 H new ATOM 0 HB2 LYS A 61 3.404 0.917 -4.898 1.00 1.00 H new ATOM 0 HB3 LYS A 61 3.537 2.372 -5.865 1.00 1.00 H new ATOM 0 HG2 LYS A 61 5.112 0.396 -7.210 1.00 1.00 H new ATOM 0 HG3 LYS A 61 3.630 -0.414 -6.739 1.00 1.00 H new ATOM 0 HD2 LYS A 61 3.582 2.337 -8.058 1.00 1.00 H new ATOM 0 HD3 LYS A 61 3.627 0.870 -9.015 1.00 1.00 H new ATOM 0 HE2 LYS A 61 1.587 1.017 -6.793 1.00 1.00 H new ATOM 0 HE3 LYS A 61 1.289 1.981 -8.225 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 0.337 -0.234 -8.446 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 1.570 -0.014 -9.593 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 1.859 -0.948 -8.204 1.00 1.00 H new ATOM 439 N ALA A 62 7.113 3.343 -5.517 1.00 1.00 N ATOM 440 CA ALA A 62 7.572 4.740 -5.754 1.00 1.00 C ATOM 441 C ALA A 62 9.022 4.729 -6.243 1.00 1.00 C ATOM 442 O ALA A 62 9.892 5.332 -5.647 1.00 1.00 O ATOM 443 CB ALA A 62 7.480 5.534 -4.450 1.00 1.00 C ATOM 0 H ALA A 62 7.852 2.641 -5.492 1.00 1.00 H new ATOM 0 HA ALA A 62 6.939 5.205 -6.510 1.00 1.00 H new ATOM 0 HB1 ALA A 62 7.816 6.557 -4.622 1.00 1.00 H new ATOM 0 HB2 ALA A 62 6.447 5.545 -4.103 1.00 1.00 H new ATOM 0 HB3 ALA A 62 8.112 5.067 -3.694 1.00 1.00 H new ATOM 444 N SER A 63 9.288 4.050 -7.325 1.00 1.00 N ATOM 445 CA SER A 63 10.682 4.005 -7.851 1.00 1.00 C ATOM 446 C SER A 63 11.217 5.433 -7.989 1.00 1.00 C ATOM 447 O SER A 63 12.381 5.695 -7.760 1.00 1.00 O ATOM 448 CB SER A 63 10.686 3.324 -9.220 1.00 1.00 C ATOM 449 OG SER A 63 9.368 3.329 -9.751 1.00 1.00 O ATOM 0 H SER A 63 8.602 3.525 -7.867 1.00 1.00 H new ATOM 0 HA SER A 63 11.315 3.443 -7.164 1.00 1.00 H new ATOM 0 HB2 SER A 63 11.365 3.844 -9.896 1.00 1.00 H new ATOM 0 HB3 SER A 63 11.050 2.301 -9.129 1.00 1.00 H new ATOM 0 HG SER A 63 9.368 2.895 -10.629 1.00 1.00 H new ATOM 450 N THR A 64 10.373 6.357 -8.360 1.00 1.00 N ATOM 451 CA THR A 64 10.827 7.768 -8.511 1.00 1.00 C ATOM 452 C THR A 64 11.121 8.358 -7.130 1.00 1.00 C ATOM 453 O THR A 64 10.714 7.821 -6.119 1.00 1.00 O ATOM 454 CB THR A 64 9.722 8.586 -9.186 1.00 1.00 C ATOM 455 OG1 THR A 64 8.535 8.502 -8.411 1.00 1.00 O ATOM 456 CG2 THR A 64 9.457 8.034 -10.588 1.00 1.00 C ATOM 0 H THR A 64 9.387 6.195 -8.565 1.00 1.00 H new ATOM 0 HA THR A 64 11.730 7.798 -9.121 1.00 1.00 H new ATOM 0 HB THR A 64 10.036 9.627 -9.262 1.00 1.00 H new ATOM 0 HG1 THR A 64 7.827 9.026 -8.840 1.00 1.00 H new ATOM 0 HG21 THR A 64 8.670 8.618 -11.066 1.00 1.00 H new ATOM 0 HG22 THR A 64 10.368 8.098 -11.182 1.00 1.00 H new ATOM 0 HG23 THR A 64 9.143 6.993 -10.516 1.00 1.00 H new ATOM 457 N ASP A 65 11.816 9.464 -7.073 1.00 1.00 N ATOM 458 CA ASP A 65 12.114 10.076 -5.742 1.00 1.00 C ATOM 459 C ASP A 65 10.844 10.740 -5.204 1.00 1.00 C ATOM 460 O ASP A 65 9.741 10.335 -5.514 1.00 1.00 O ATOM 461 CB ASP A 65 13.211 11.140 -5.855 1.00 1.00 C ATOM 462 CG ASP A 65 14.033 10.931 -7.127 1.00 1.00 C ATOM 463 OD1 ASP A 65 14.337 9.790 -7.432 1.00 1.00 O ATOM 464 OD2 ASP A 65 14.350 11.916 -7.772 1.00 1.00 O ATOM 0 H ASP A 65 12.187 9.966 -7.880 1.00 1.00 H new ATOM 0 HA ASP A 65 12.457 9.289 -5.071 1.00 1.00 H new ATOM 0 HB2 ASP A 65 12.762 12.133 -5.864 1.00 1.00 H new ATOM 0 HB3 ASP A 65 13.863 11.093 -4.982 1.00 1.00 H new ATOM 465 N THR A 66 10.991 11.767 -4.409 1.00 1.00 N ATOM 466 CA THR A 66 9.799 12.470 -3.862 1.00 1.00 C ATOM 467 C THR A 66 9.354 13.548 -4.849 1.00 1.00 C ATOM 468 O THR A 66 8.799 14.559 -4.467 1.00 1.00 O ATOM 469 CB THR A 66 10.160 13.120 -2.524 1.00 1.00 C ATOM 470 OG1 THR A 66 11.572 13.227 -2.416 1.00 1.00 O ATOM 471 CG2 THR A 66 9.622 12.264 -1.377 1.00 1.00 C ATOM 0 H THR A 66 11.890 12.149 -4.115 1.00 1.00 H new ATOM 0 HA THR A 66 8.990 11.756 -3.711 1.00 1.00 H new ATOM 0 HB THR A 66 9.716 14.114 -2.472 1.00 1.00 H new ATOM 0 HG1 THR A 66 11.958 12.336 -2.284 1.00 1.00 H new ATOM 0 HG21 THR A 66 9.880 12.728 -0.425 1.00 1.00 H new ATOM 0 HG22 THR A 66 8.538 12.184 -1.460 1.00 1.00 H new ATOM 0 HG23 THR A 66 10.064 11.269 -1.427 1.00 1.00 H new ATOM 472 N MET A 67 9.595 13.350 -6.116 1.00 1.00 N ATOM 473 CA MET A 67 9.188 14.371 -7.111 1.00 1.00 C ATOM 474 C MET A 67 8.459 13.681 -8.260 1.00 1.00 C ATOM 475 O MET A 67 7.344 14.022 -8.600 1.00 1.00 O ATOM 476 CB MET A 67 10.430 15.087 -7.646 1.00 1.00 C ATOM 477 CG MET A 67 10.781 16.257 -6.725 1.00 1.00 C ATOM 478 SD MET A 67 12.573 16.309 -6.473 1.00 1.00 S ATOM 479 CE MET A 67 12.625 15.259 -5.000 1.00 1.00 C ATOM 0 H MET A 67 10.056 12.525 -6.501 1.00 1.00 H new ATOM 0 HA MET A 67 8.528 15.101 -6.643 1.00 1.00 H new ATOM 0 HB2 MET A 67 11.267 14.392 -7.703 1.00 1.00 H new ATOM 0 HB3 MET A 67 10.247 15.449 -8.658 1.00 1.00 H new ATOM 0 HG2 MET A 67 10.437 17.194 -7.163 1.00 1.00 H new ATOM 0 HG3 MET A 67 10.271 16.146 -5.768 1.00 1.00 H new ATOM 0 HE1 MET A 67 13.267 15.718 -4.248 1.00 1.00 H new ATOM 0 HE2 MET A 67 11.618 15.147 -4.597 1.00 1.00 H new ATOM 0 HE3 MET A 67 13.021 14.279 -5.266 1.00 1.00 H new ATOM 480 N GLY A 68 9.082 12.702 -8.853 1.00 1.00 N ATOM 481 CA GLY A 68 8.429 11.975 -9.973 1.00 1.00 C ATOM 482 C GLY A 68 9.496 11.369 -10.885 1.00 1.00 C ATOM 483 O GLY A 68 9.257 10.396 -11.571 1.00 1.00 O ATOM 0 H GLY A 68 10.017 12.374 -8.609 1.00 1.00 H new ATOM 0 HA2 GLY A 68 7.782 11.190 -9.582 1.00 1.00 H new ATOM 0 HA3 GLY A 68 7.795 12.656 -10.541 1.00 1.00 H new ATOM 484 N ARG A 69 10.673 11.932 -10.898 1.00 1.00 N ATOM 485 CA ARG A 69 11.749 11.376 -11.765 1.00 1.00 C ATOM 486 C ARG A 69 12.013 9.924 -11.356 1.00 1.00 C ATOM 487 O ARG A 69 11.882 9.578 -10.200 1.00 1.00 O ATOM 488 CB ARG A 69 13.026 12.201 -11.593 1.00 1.00 C ATOM 489 CG ARG A 69 13.361 12.317 -10.106 1.00 1.00 C ATOM 490 CD ARG A 69 13.993 13.682 -9.829 1.00 1.00 C ATOM 491 NE ARG A 69 13.044 14.759 -10.230 1.00 1.00 N ATOM 492 CZ ARG A 69 13.470 15.781 -10.921 1.00 1.00 C ATOM 493 NH1 ARG A 69 14.344 16.600 -10.405 1.00 1.00 N ATOM 494 NH2 ARG A 69 13.019 15.984 -12.129 1.00 1.00 N ATOM 0 H ARG A 69 10.935 12.750 -10.348 1.00 1.00 H new ATOM 0 HA ARG A 69 11.440 11.415 -12.810 1.00 1.00 H new ATOM 0 HB2 ARG A 69 13.851 11.729 -12.127 1.00 1.00 H new ATOM 0 HB3 ARG A 69 12.892 13.193 -12.025 1.00 1.00 H new ATOM 0 HG2 ARG A 69 12.458 12.195 -9.508 1.00 1.00 H new ATOM 0 HG3 ARG A 69 14.046 11.521 -9.814 1.00 1.00 H new ATOM 0 HD2 ARG A 69 14.238 13.773 -8.771 1.00 1.00 H new ATOM 0 HD3 ARG A 69 14.927 13.781 -10.382 1.00 1.00 H new ATOM 0 HE ARG A 69 12.061 14.697 -9.964 1.00 1.00 H new ATOM 0 HH11 ARG A 69 14.695 16.442 -9.461 1.00 1.00 H new ATOM 0 HH12 ARG A 69 14.676 17.398 -10.946 1.00 1.00 H new ATOM 0 HH21 ARG A 69 12.334 15.344 -12.532 1.00 1.00 H new ATOM 0 HH22 ARG A 69 13.351 16.782 -12.670 1.00 1.00 H new ATOM 495 N PRO A 70 12.370 9.114 -12.321 1.00 1.00 N ATOM 496 CA PRO A 70 12.640 7.703 -12.082 1.00 1.00 C ATOM 497 C PRO A 70 13.895 7.529 -11.223 1.00 1.00 C ATOM 498 O PRO A 70 14.228 6.436 -10.811 1.00 1.00 O ATOM 499 CB PRO A 70 12.841 7.110 -13.473 1.00 1.00 C ATOM 500 CG PRO A 70 13.268 8.338 -14.337 1.00 1.00 C ATOM 501 CD PRO A 70 12.537 9.559 -13.713 1.00 1.00 C ATOM 0 HA PRO A 70 11.832 7.211 -11.539 1.00 1.00 H new ATOM 0 HB2 PRO A 70 13.607 6.335 -13.472 1.00 1.00 H new ATOM 0 HB3 PRO A 70 11.926 6.653 -13.850 1.00 1.00 H new ATOM 0 HG2 PRO A 70 14.349 8.475 -14.316 1.00 1.00 H new ATOM 0 HG3 PRO A 70 12.984 8.202 -15.380 1.00 1.00 H new ATOM 0 HD2 PRO A 70 13.128 10.472 -13.785 1.00 1.00 H new ATOM 0 HD3 PRO A 70 11.582 9.758 -14.198 1.00 1.00 H new ATOM 502 N CYS A 71 14.587 8.597 -10.937 1.00 1.00 N ATOM 503 CA CYS A 71 15.808 8.484 -10.092 1.00 1.00 C ATOM 504 C CYS A 71 16.889 7.701 -10.836 1.00 1.00 C ATOM 505 O CYS A 71 16.648 7.122 -11.876 1.00 1.00 O ATOM 506 CB CYS A 71 15.458 7.744 -8.801 1.00 1.00 C ATOM 507 SG CYS A 71 16.623 8.214 -7.501 1.00 1.00 S ATOM 0 H CYS A 71 14.360 9.541 -11.251 1.00 1.00 H new ATOM 0 HA CYS A 71 16.179 9.483 -9.864 1.00 1.00 H new ATOM 0 HB2 CYS A 71 14.440 7.985 -8.496 1.00 1.00 H new ATOM 0 HB3 CYS A 71 15.495 6.667 -8.965 1.00 1.00 H new ATOM 508 N LEU A 72 18.081 7.671 -10.302 1.00 1.00 N ATOM 509 CA LEU A 72 19.176 6.916 -10.968 1.00 1.00 C ATOM 510 C LEU A 72 19.260 5.518 -10.351 1.00 1.00 C ATOM 511 O LEU A 72 19.608 5.382 -9.195 1.00 1.00 O ATOM 512 CB LEU A 72 20.508 7.633 -10.745 1.00 1.00 C ATOM 513 CG LEU A 72 20.408 9.073 -11.242 1.00 1.00 C ATOM 514 CD1 LEU A 72 21.280 9.973 -10.365 1.00 1.00 C ATOM 515 CD2 LEU A 72 20.900 9.139 -12.687 1.00 1.00 C ATOM 0 H LEU A 72 18.341 8.138 -9.433 1.00 1.00 H new ATOM 0 HA LEU A 72 18.972 6.848 -12.037 1.00 1.00 H new ATOM 0 HB2 LEU A 72 20.765 7.621 -9.686 1.00 1.00 H new ATOM 0 HB3 LEU A 72 21.306 7.111 -11.273 1.00 1.00 H new ATOM 0 HG LEU A 72 19.373 9.410 -11.191 1.00 1.00 H new ATOM 0 HD11 LEU A 72 21.211 11.002 -10.718 1.00 1.00 H new ATOM 0 HD12 LEU A 72 20.935 9.919 -9.332 1.00 1.00 H new ATOM 0 HD13 LEU A 72 22.316 9.640 -10.419 1.00 1.00 H new ATOM 0 HD21 LEU A 72 20.831 10.165 -13.048 1.00 1.00 H new ATOM 0 HD22 LEU A 72 21.937 8.807 -12.734 1.00 1.00 H new ATOM 0 HD23 LEU A 72 20.283 8.492 -13.311 1.00 1.00 H new ATOM 516 N PRO A 73 18.948 4.514 -11.130 1.00 1.00 N ATOM 517 CA PRO A 73 18.998 3.145 -10.650 1.00 1.00 C ATOM 518 C PRO A 73 20.349 2.898 -9.978 1.00 1.00 C ATOM 519 O PRO A 73 21.368 3.377 -10.429 1.00 1.00 O ATOM 520 CB PRO A 73 18.844 2.295 -11.907 1.00 1.00 C ATOM 521 CG PRO A 73 18.071 3.235 -12.885 1.00 1.00 C ATOM 522 CD PRO A 73 18.532 4.678 -12.531 1.00 1.00 C ATOM 0 HA PRO A 73 18.228 2.914 -9.914 1.00 1.00 H new ATOM 0 HB2 PRO A 73 19.811 2.000 -12.314 1.00 1.00 H new ATOM 0 HB3 PRO A 73 18.289 1.379 -11.707 1.00 1.00 H new ATOM 0 HG2 PRO A 73 18.300 2.994 -13.923 1.00 1.00 H new ATOM 0 HG3 PRO A 73 16.993 3.127 -12.763 1.00 1.00 H new ATOM 0 HD2 PRO A 73 19.351 5.015 -13.166 1.00 1.00 H new ATOM 0 HD3 PRO A 73 17.726 5.404 -12.638 1.00 1.00 H new ATOM 523 N TRP A 74 20.371 2.166 -8.902 1.00 1.00 N ATOM 524 CA TRP A 74 21.668 1.909 -8.215 1.00 1.00 C ATOM 525 C TRP A 74 22.686 1.395 -9.240 1.00 1.00 C ATOM 526 O TRP A 74 23.881 1.491 -9.045 1.00 1.00 O ATOM 527 CB TRP A 74 21.471 0.873 -7.104 1.00 1.00 C ATOM 528 CG TRP A 74 20.179 1.135 -6.391 1.00 1.00 C ATOM 529 CD1 TRP A 74 18.998 0.537 -6.671 1.00 1.00 C ATOM 530 CD2 TRP A 74 19.922 2.046 -5.281 1.00 1.00 C ATOM 531 NE1 TRP A 74 18.033 1.024 -5.809 1.00 1.00 N ATOM 532 CE2 TRP A 74 18.552 1.956 -4.934 1.00 1.00 C ATOM 533 CE3 TRP A 74 20.736 2.933 -4.551 1.00 1.00 C ATOM 534 CZ2 TRP A 74 18.010 2.720 -3.898 1.00 1.00 C ATOM 535 CZ3 TRP A 74 20.193 3.703 -3.507 1.00 1.00 C ATOM 536 CH2 TRP A 74 18.833 3.596 -3.182 1.00 1.00 C ATOM 0 H TRP A 74 19.554 1.736 -8.469 1.00 1.00 H new ATOM 0 HA TRP A 74 22.037 2.833 -7.770 1.00 1.00 H new ATOM 0 HB2 TRP A 74 21.467 -0.132 -7.527 1.00 1.00 H new ATOM 0 HB3 TRP A 74 22.302 0.919 -6.400 1.00 1.00 H new ATOM 0 HD1 TRP A 74 18.836 -0.201 -7.443 1.00 1.00 H new ATOM 0 HE1 TRP A 74 17.056 0.730 -5.819 1.00 1.00 H new ATOM 0 HE3 TRP A 74 21.784 3.023 -4.794 1.00 1.00 H new ATOM 0 HZ2 TRP A 74 16.962 2.635 -3.651 1.00 1.00 H new ATOM 0 HZ3 TRP A 74 20.826 4.380 -2.953 1.00 1.00 H new ATOM 0 HH2 TRP A 74 18.421 4.190 -2.379 1.00 1.00 H new ATOM 537 N ASN A 75 22.222 0.857 -10.336 1.00 1.00 N ATOM 538 CA ASN A 75 23.163 0.341 -11.374 1.00 1.00 C ATOM 539 C ASN A 75 23.764 1.508 -12.164 1.00 1.00 C ATOM 540 O ASN A 75 24.925 1.485 -12.521 1.00 1.00 O ATOM 541 CB ASN A 75 22.409 -0.588 -12.329 1.00 1.00 C ATOM 542 CG ASN A 75 23.367 -1.100 -13.406 1.00 1.00 C ATOM 543 OD1 ASN A 75 23.756 -0.363 -14.290 1.00 1.00 O ATOM 544 ND2 ASN A 75 23.765 -2.343 -13.370 1.00 1.00 N ATOM 0 H ASN A 75 21.232 0.752 -10.558 1.00 1.00 H new ATOM 0 HA ASN A 75 23.967 -0.210 -10.885 1.00 1.00 H new ATOM 0 HB2 ASN A 75 21.984 -1.426 -11.777 1.00 1.00 H new ATOM 0 HB3 ASN A 75 21.577 -0.055 -12.790 1.00 1.00 H new ATOM 0 HD21 ASN A 75 24.403 -2.695 -14.084 1.00 1.00 H new ATOM 0 HD22 ASN A 75 23.438 -2.962 -12.628 1.00 1.00 H new ATOM 545 N SER A 76 22.976 2.519 -12.441 1.00 1.00 N ATOM 546 CA SER A 76 23.469 3.700 -13.206 1.00 1.00 C ATOM 547 C SER A 76 24.927 3.963 -12.854 1.00 1.00 C ATOM 548 O SER A 76 25.245 4.420 -11.779 1.00 1.00 O ATOM 549 CB SER A 76 22.630 4.926 -12.846 1.00 1.00 C ATOM 550 OG SER A 76 22.524 5.772 -13.983 1.00 1.00 O ATOM 0 H SER A 76 21.996 2.573 -12.163 1.00 1.00 H new ATOM 0 HA SER A 76 23.384 3.501 -14.274 1.00 1.00 H new ATOM 0 HB2 SER A 76 21.639 4.618 -12.514 1.00 1.00 H new ATOM 0 HB3 SER A 76 23.090 5.466 -12.018 1.00 1.00 H new ATOM 0 HG SER A 76 21.985 6.559 -13.756 1.00 1.00 H new ATOM 551 N ALA A 77 25.798 3.647 -13.762 1.00 1.00 N ATOM 552 CA ALA A 77 27.267 3.828 -13.533 1.00 1.00 C ATOM 553 C ALA A 77 27.537 5.042 -12.636 1.00 1.00 C ATOM 554 O ALA A 77 28.466 5.045 -11.853 1.00 1.00 O ATOM 555 CB ALA A 77 27.964 4.033 -14.880 1.00 1.00 C ATOM 0 H ALA A 77 25.557 3.262 -14.675 1.00 1.00 H new ATOM 0 HA ALA A 77 27.654 2.938 -13.037 1.00 1.00 H new ATOM 0 HB1 ALA A 77 29.034 4.165 -14.720 1.00 1.00 H new ATOM 0 HB2 ALA A 77 27.797 3.161 -15.512 1.00 1.00 H new ATOM 0 HB3 ALA A 77 27.558 4.919 -15.369 1.00 1.00 H new ATOM 556 N THR A 78 26.734 6.066 -12.724 1.00 1.00 N ATOM 557 CA THR A 78 26.959 7.257 -11.854 1.00 1.00 C ATOM 558 C THR A 78 26.927 6.819 -10.391 1.00 1.00 C ATOM 559 O THR A 78 27.908 6.914 -9.682 1.00 1.00 O ATOM 560 CB THR A 78 25.850 8.281 -12.092 1.00 1.00 C ATOM 561 OG1 THR A 78 25.584 8.377 -13.485 1.00 1.00 O ATOM 562 CG2 THR A 78 26.286 9.646 -11.557 1.00 1.00 C ATOM 0 H THR A 78 25.936 6.131 -13.356 1.00 1.00 H new ATOM 0 HA THR A 78 27.925 7.704 -12.090 1.00 1.00 H new ATOM 0 HB THR A 78 24.947 7.963 -11.572 1.00 1.00 H new ATOM 0 HG1 THR A 78 24.872 9.032 -13.638 1.00 1.00 H new ATOM 0 HG21 THR A 78 25.493 10.374 -11.728 1.00 1.00 H new ATOM 0 HG22 THR A 78 26.485 9.571 -10.488 1.00 1.00 H new ATOM 0 HG23 THR A 78 27.191 9.967 -12.073 1.00 1.00 H new ATOM 563 N VAL A 79 25.804 6.338 -9.935 1.00 1.00 N ATOM 564 CA VAL A 79 25.704 5.891 -8.531 1.00 1.00 C ATOM 565 C VAL A 79 26.661 4.711 -8.325 1.00 1.00 C ATOM 566 O VAL A 79 27.381 4.648 -7.349 1.00 1.00 O ATOM 567 CB VAL A 79 24.250 5.489 -8.239 1.00 1.00 C ATOM 568 CG1 VAL A 79 23.613 4.834 -9.467 1.00 1.00 C ATOM 569 CG2 VAL A 79 24.213 4.505 -7.087 1.00 1.00 C ATOM 0 H VAL A 79 24.950 6.238 -10.483 1.00 1.00 H new ATOM 0 HA VAL A 79 25.983 6.690 -7.844 1.00 1.00 H new ATOM 0 HB VAL A 79 23.692 6.389 -7.983 1.00 1.00 H new ATOM 0 HG11 VAL A 79 22.584 4.557 -9.239 1.00 1.00 H new ATOM 0 HG12 VAL A 79 23.624 5.536 -10.301 1.00 1.00 H new ATOM 0 HG13 VAL A 79 24.177 3.942 -9.737 1.00 1.00 H new ATOM 0 HG21 VAL A 79 23.180 4.222 -6.883 1.00 1.00 H new ATOM 0 HG22 VAL A 79 24.787 3.616 -7.349 1.00 1.00 H new ATOM 0 HG23 VAL A 79 24.645 4.968 -6.199 1.00 1.00 H new ATOM 570 N LEU A 80 26.700 3.791 -9.251 1.00 1.00 N ATOM 571 CA LEU A 80 27.642 2.647 -9.113 1.00 1.00 C ATOM 572 C LEU A 80 29.006 3.221 -8.745 1.00 1.00 C ATOM 573 O LEU A 80 29.819 2.586 -8.104 1.00 1.00 O ATOM 574 CB LEU A 80 27.736 1.891 -10.439 1.00 1.00 C ATOM 575 CG LEU A 80 26.791 0.688 -10.406 1.00 1.00 C ATOM 576 CD1 LEU A 80 26.969 -0.137 -11.681 1.00 1.00 C ATOM 577 CD2 LEU A 80 27.112 -0.184 -9.189 1.00 1.00 C ATOM 0 H LEU A 80 26.123 3.783 -10.092 1.00 1.00 H new ATOM 0 HA LEU A 80 27.297 1.953 -8.347 1.00 1.00 H new ATOM 0 HB2 LEU A 80 27.474 2.551 -11.266 1.00 1.00 H new ATOM 0 HB3 LEU A 80 28.760 1.559 -10.609 1.00 1.00 H new ATOM 0 HG LEU A 80 25.762 1.040 -10.340 1.00 1.00 H new ATOM 0 HD11 LEU A 80 26.296 -0.994 -11.657 1.00 1.00 H new ATOM 0 HD12 LEU A 80 26.739 0.481 -12.549 1.00 1.00 H new ATOM 0 HD13 LEU A 80 27.999 -0.487 -11.747 1.00 1.00 H new ATOM 0 HD21 LEU A 80 26.438 -1.040 -9.167 1.00 1.00 H new ATOM 0 HD22 LEU A 80 28.142 -0.535 -9.254 1.00 1.00 H new ATOM 0 HD23 LEU A 80 26.985 0.401 -8.278 1.00 1.00 H new ATOM 578 N GLN A 81 29.243 4.441 -9.145 1.00 1.00 N ATOM 579 CA GLN A 81 30.530 5.112 -8.830 1.00 1.00 C ATOM 580 C GLN A 81 30.486 5.615 -7.383 1.00 1.00 C ATOM 581 O GLN A 81 31.439 5.488 -6.640 1.00 1.00 O ATOM 582 CB GLN A 81 30.710 6.297 -9.784 1.00 1.00 C ATOM 583 CG GLN A 81 31.998 6.121 -10.589 1.00 1.00 C ATOM 584 CD GLN A 81 32.497 7.488 -11.057 1.00 1.00 C ATOM 585 OE1 GLN A 81 32.114 7.961 -12.108 1.00 1.00 O ATOM 586 NE2 GLN A 81 33.344 8.149 -10.315 1.00 1.00 N ATOM 0 H GLN A 81 28.588 5.007 -9.684 1.00 1.00 H new ATOM 0 HA GLN A 81 31.362 4.417 -8.947 1.00 1.00 H new ATOM 0 HB2 GLN A 81 29.856 6.367 -10.457 1.00 1.00 H new ATOM 0 HB3 GLN A 81 30.747 7.228 -9.219 1.00 1.00 H new ATOM 0 HG2 GLN A 81 32.758 5.634 -9.978 1.00 1.00 H new ATOM 0 HG3 GLN A 81 31.817 5.474 -11.448 1.00 1.00 H new ATOM 0 HE21 GLN A 81 33.666 7.753 -9.432 1.00 1.00 H new ATOM 0 HE22 GLN A 81 33.683 9.062 -10.618 1.00 1.00 H new ATOM 587 N GLN A 82 29.381 6.186 -6.982 1.00 1.00 N ATOM 588 CA GLN A 82 29.259 6.703 -5.588 1.00 1.00 C ATOM 589 C GLN A 82 29.243 5.532 -4.594 1.00 1.00 C ATOM 590 O GLN A 82 29.761 4.469 -4.871 1.00 1.00 O ATOM 591 CB GLN A 82 27.972 7.528 -5.471 1.00 1.00 C ATOM 592 CG GLN A 82 26.762 6.616 -5.292 1.00 1.00 C ATOM 593 CD GLN A 82 26.109 6.910 -3.943 1.00 1.00 C ATOM 594 OE1 GLN A 82 26.045 8.046 -3.521 1.00 1.00 O ATOM 595 NE2 GLN A 82 25.631 5.925 -3.241 1.00 1.00 N ATOM 0 H GLN A 82 28.553 6.317 -7.564 1.00 1.00 H new ATOM 0 HA GLN A 82 30.113 7.338 -5.353 1.00 1.00 H new ATOM 0 HB2 GLN A 82 28.047 8.211 -4.625 1.00 1.00 H new ATOM 0 HB3 GLN A 82 27.844 8.140 -6.364 1.00 1.00 H new ATOM 0 HG2 GLN A 82 26.047 6.777 -6.099 1.00 1.00 H new ATOM 0 HG3 GLN A 82 27.068 5.571 -5.342 1.00 1.00 H new ATOM 0 HE21 GLN A 82 25.686 4.971 -3.598 1.00 1.00 H new ATOM 0 HE22 GLN A 82 25.201 6.107 -2.334 1.00 1.00 H new ATOM 596 N THR A 83 28.663 5.719 -3.434 1.00 1.00 N ATOM 597 CA THR A 83 28.627 4.614 -2.428 1.00 1.00 C ATOM 598 C THR A 83 27.386 3.727 -2.654 1.00 1.00 C ATOM 599 O THR A 83 27.324 2.982 -3.610 1.00 1.00 O ATOM 600 CB THR A 83 28.604 5.211 -1.016 1.00 1.00 C ATOM 601 OG1 THR A 83 29.697 6.105 -0.865 1.00 1.00 O ATOM 602 CG2 THR A 83 28.715 4.088 0.017 1.00 1.00 C ATOM 0 H THR A 83 28.214 6.587 -3.141 1.00 1.00 H new ATOM 0 HA THR A 83 29.517 3.995 -2.541 1.00 1.00 H new ATOM 0 HB THR A 83 27.669 5.750 -0.864 1.00 1.00 H new ATOM 0 HG1 THR A 83 29.683 6.489 0.036 1.00 1.00 H new ATOM 0 HG21 THR A 83 28.699 4.514 1.020 1.00 1.00 H new ATOM 0 HG22 THR A 83 27.876 3.402 -0.100 1.00 1.00 H new ATOM 0 HG23 THR A 83 29.650 3.547 -0.132 1.00 1.00 H new ATOM 603 N TYR A 84 26.404 3.790 -1.782 1.00 1.00 N ATOM 604 CA TYR A 84 25.185 2.938 -1.952 1.00 1.00 C ATOM 605 C TYR A 84 24.750 2.926 -3.415 1.00 1.00 C ATOM 606 O TYR A 84 24.026 3.788 -3.871 1.00 1.00 O ATOM 607 CB TYR A 84 24.065 3.473 -1.067 1.00 1.00 C ATOM 608 CG TYR A 84 24.294 2.981 0.341 1.00 1.00 C ATOM 609 CD1 TYR A 84 24.610 1.635 0.571 1.00 1.00 C ATOM 610 CD2 TYR A 84 24.205 3.874 1.418 1.00 1.00 C ATOM 611 CE1 TYR A 84 24.836 1.183 1.876 1.00 1.00 C ATOM 612 CE2 TYR A 84 24.429 3.420 2.723 1.00 1.00 C ATOM 613 CZ TYR A 84 24.746 2.075 2.952 1.00 1.00 C ATOM 614 OH TYR A 84 24.969 1.628 4.239 1.00 1.00 O ATOM 0 H TYR A 84 26.396 4.395 -0.961 1.00 1.00 H new ATOM 0 HA TYR A 84 25.415 1.915 -1.655 1.00 1.00 H new ATOM 0 HB2 TYR A 84 24.051 4.563 -1.090 1.00 1.00 H new ATOM 0 HB3 TYR A 84 23.096 3.134 -1.434 1.00 1.00 H new ATOM 0 HD1 TYR A 84 24.679 0.947 -0.259 1.00 1.00 H new ATOM 0 HD2 TYR A 84 23.964 4.912 1.241 1.00 1.00 H new ATOM 0 HE1 TYR A 84 25.080 0.146 2.053 1.00 1.00 H new ATOM 0 HE2 TYR A 84 24.357 4.107 3.553 1.00 1.00 H new ATOM 0 HH TYR A 84 25.337 2.358 4.780 1.00 1.00 H new ATOM 615 N HIS A 85 25.213 1.961 -4.159 1.00 1.00 N ATOM 616 CA HIS A 85 24.863 1.896 -5.603 1.00 1.00 C ATOM 617 C HIS A 85 24.544 0.457 -6.027 1.00 1.00 C ATOM 618 O HIS A 85 24.085 0.229 -7.126 1.00 1.00 O ATOM 619 CB HIS A 85 26.057 2.396 -6.398 1.00 1.00 C ATOM 620 CG HIS A 85 27.211 1.459 -6.169 1.00 1.00 C ATOM 621 ND1 HIS A 85 28.451 1.896 -5.738 1.00 1.00 N ATOM 622 CD2 HIS A 85 27.324 0.102 -6.314 1.00 1.00 C ATOM 623 CE1 HIS A 85 29.249 0.816 -5.641 1.00 1.00 C ATOM 624 NE2 HIS A 85 28.611 -0.302 -5.980 1.00 1.00 N ATOM 0 H HIS A 85 25.821 1.212 -3.827 1.00 1.00 H new ATOM 0 HA HIS A 85 23.981 2.509 -5.789 1.00 1.00 H new ATOM 0 HB2 HIS A 85 25.812 2.443 -7.459 1.00 1.00 H new ATOM 0 HB3 HIS A 85 26.322 3.406 -6.087 1.00 1.00 H new ATOM 0 HD1 HIS A 85 28.713 2.860 -5.532 1.00 1.00 H new ATOM 0 HD2 HIS A 85 26.532 -0.556 -6.639 1.00 1.00 H new ATOM 0 HE1 HIS A 85 30.282 0.852 -5.326 1.00 1.00 H new ATOM 625 N ALA A 86 24.792 -0.505 -5.169 1.00 1.00 N ATOM 626 CA ALA A 86 24.506 -1.942 -5.498 1.00 1.00 C ATOM 627 C ALA A 86 25.766 -2.634 -6.031 1.00 1.00 C ATOM 628 O ALA A 86 25.731 -3.311 -7.038 1.00 1.00 O ATOM 629 CB ALA A 86 23.389 -2.037 -6.543 1.00 1.00 C ATOM 0 H ALA A 86 25.186 -0.354 -4.240 1.00 1.00 H new ATOM 0 HA ALA A 86 24.186 -2.442 -4.584 1.00 1.00 H new ATOM 0 HB1 ALA A 86 23.193 -3.085 -6.772 1.00 1.00 H new ATOM 0 HB2 ALA A 86 22.483 -1.575 -6.150 1.00 1.00 H new ATOM 0 HB3 ALA A 86 23.696 -1.519 -7.452 1.00 1.00 H new ATOM 630 N HIS A 87 26.875 -2.486 -5.353 1.00 1.00 N ATOM 631 CA HIS A 87 28.131 -3.153 -5.813 1.00 1.00 C ATOM 632 C HIS A 87 29.273 -2.823 -4.848 1.00 1.00 C ATOM 633 O HIS A 87 30.390 -2.576 -5.255 1.00 1.00 O ATOM 634 CB HIS A 87 28.504 -2.676 -7.220 1.00 1.00 C ATOM 635 CG HIS A 87 28.156 -3.745 -8.219 1.00 1.00 C ATOM 636 ND1 HIS A 87 28.574 -3.689 -9.540 1.00 1.00 N ATOM 637 CD2 HIS A 87 27.433 -4.907 -8.105 1.00 1.00 C ATOM 638 CE1 HIS A 87 28.104 -4.786 -10.161 1.00 1.00 C ATOM 639 NE2 HIS A 87 27.402 -5.562 -9.332 1.00 1.00 N ATOM 0 H HIS A 87 26.966 -1.932 -4.501 1.00 1.00 H new ATOM 0 HA HIS A 87 27.966 -4.230 -5.835 1.00 1.00 H new ATOM 0 HB2 HIS A 87 27.972 -1.755 -7.457 1.00 1.00 H new ATOM 0 HB3 HIS A 87 29.569 -2.450 -7.269 1.00 1.00 H new ATOM 0 HD2 HIS A 87 26.960 -5.259 -7.200 1.00 1.00 H new ATOM 0 HE1 HIS A 87 28.274 -5.011 -11.203 1.00 1.00 H new ATOM 0 HE2 HIS A 87 26.942 -6.445 -9.551 1.00 1.00 H new ATOM 640 N ARG A 88 29.003 -2.821 -3.570 1.00 1.00 N ATOM 641 CA ARG A 88 30.075 -2.511 -2.581 1.00 1.00 C ATOM 642 C ARG A 88 30.205 -3.674 -1.596 1.00 1.00 C ATOM 643 O ARG A 88 29.769 -4.776 -1.865 1.00 1.00 O ATOM 644 CB ARG A 88 29.714 -1.237 -1.818 1.00 1.00 C ATOM 645 CG ARG A 88 29.495 -0.094 -2.809 1.00 1.00 C ATOM 646 CD ARG A 88 29.254 1.206 -2.042 1.00 1.00 C ATOM 647 NE ARG A 88 30.521 1.641 -1.390 1.00 1.00 N ATOM 648 CZ ARG A 88 30.607 1.669 -0.088 1.00 1.00 C ATOM 649 NH1 ARG A 88 29.894 0.845 0.630 1.00 1.00 N ATOM 650 NH2 ARG A 88 31.405 2.521 0.495 1.00 1.00 N ATOM 0 H ARG A 88 28.087 -3.021 -3.169 1.00 1.00 H new ATOM 0 HA ARG A 88 31.021 -2.365 -3.103 1.00 1.00 H new ATOM 0 HB2 ARG A 88 28.812 -1.398 -1.227 1.00 1.00 H new ATOM 0 HB3 ARG A 88 30.511 -0.980 -1.120 1.00 1.00 H new ATOM 0 HG2 ARG A 88 30.364 0.010 -3.458 1.00 1.00 H new ATOM 0 HG3 ARG A 88 28.642 -0.313 -3.451 1.00 1.00 H new ATOM 0 HD2 ARG A 88 28.898 1.981 -2.721 1.00 1.00 H new ATOM 0 HD3 ARG A 88 28.478 1.059 -1.291 1.00 1.00 H new ATOM 0 HE ARG A 88 31.320 1.917 -1.961 1.00 1.00 H new ATOM 0 HH11 ARG A 88 29.270 0.180 0.174 1.00 1.00 H new ATOM 0 HH12 ARG A 88 29.961 0.866 1.648 1.00 1.00 H new ATOM 0 HH21 ARG A 88 31.962 3.165 -0.067 1.00 1.00 H new ATOM 0 HH22 ARG A 88 31.472 2.543 1.513 1.00 1.00 H new ATOM 651 N SER A 89 30.796 -3.442 -0.454 1.00 1.00 N ATOM 652 CA SER A 89 30.939 -4.546 0.536 1.00 1.00 C ATOM 653 C SER A 89 29.926 -4.355 1.659 1.00 1.00 C ATOM 654 O SER A 89 30.269 -4.309 2.823 1.00 1.00 O ATOM 655 CB SER A 89 32.356 -4.552 1.110 1.00 1.00 C ATOM 656 OG SER A 89 33.271 -4.121 0.111 1.00 1.00 O ATOM 0 H SER A 89 31.183 -2.543 -0.166 1.00 1.00 H new ATOM 0 HA SER A 89 30.755 -5.500 0.041 1.00 1.00 H new ATOM 0 HB2 SER A 89 32.412 -3.895 1.978 1.00 1.00 H new ATOM 0 HB3 SER A 89 32.618 -5.554 1.451 1.00 1.00 H new ATOM 0 HG SER A 89 34.180 -4.122 0.477 1.00 1.00 H new ATOM 657 N ASP A 90 28.680 -4.249 1.297 1.00 1.00 N ATOM 658 CA ASP A 90 27.594 -4.062 2.299 1.00 1.00 C ATOM 659 C ASP A 90 26.439 -3.337 1.626 1.00 1.00 C ATOM 660 O ASP A 90 25.316 -3.365 2.088 1.00 1.00 O ATOM 661 CB ASP A 90 28.085 -3.214 3.466 1.00 1.00 C ATOM 662 CG ASP A 90 28.945 -2.061 2.942 1.00 1.00 C ATOM 663 OD1 ASP A 90 28.812 -1.731 1.775 1.00 1.00 O ATOM 664 OD2 ASP A 90 29.721 -1.528 3.718 1.00 1.00 O ATOM 0 H ASP A 90 28.361 -4.285 0.329 1.00 1.00 H new ATOM 0 HA ASP A 90 27.281 -5.036 2.674 1.00 1.00 H new ATOM 0 HB2 ASP A 90 27.236 -2.822 4.025 1.00 1.00 H new ATOM 0 HB3 ASP A 90 28.664 -3.828 4.155 1.00 1.00 H new ATOM 665 N ALA A 91 26.710 -2.686 0.532 1.00 1.00 N ATOM 666 CA ALA A 91 25.625 -1.957 -0.176 1.00 1.00 C ATOM 667 C ALA A 91 24.613 -2.976 -0.690 1.00 1.00 C ATOM 668 O ALA A 91 23.472 -2.661 -0.959 1.00 1.00 O ATOM 669 CB ALA A 91 26.213 -1.175 -1.352 1.00 1.00 C ATOM 0 H ALA A 91 27.632 -2.627 0.099 1.00 1.00 H new ATOM 0 HA ALA A 91 25.138 -1.258 0.504 1.00 1.00 H new ATOM 0 HB1 ALA A 91 25.416 -0.642 -1.869 1.00 1.00 H new ATOM 0 HB2 ALA A 91 26.948 -0.460 -0.982 1.00 1.00 H new ATOM 0 HB3 ALA A 91 26.695 -1.866 -2.044 1.00 1.00 H new ATOM 670 N LEU A 92 25.026 -4.203 -0.822 1.00 1.00 N ATOM 671 CA LEU A 92 24.083 -5.245 -1.317 1.00 1.00 C ATOM 672 C LEU A 92 23.280 -5.825 -0.154 1.00 1.00 C ATOM 673 O LEU A 92 22.255 -6.448 -0.347 1.00 1.00 O ATOM 674 CB LEU A 92 24.816 -6.361 -2.066 1.00 1.00 C ATOM 675 CG LEU A 92 26.147 -6.732 -1.410 1.00 1.00 C ATOM 676 CD1 LEU A 92 27.232 -5.742 -1.839 1.00 1.00 C ATOM 677 CD2 LEU A 92 26.020 -6.754 0.119 1.00 1.00 C ATOM 0 H LEU A 92 25.969 -4.530 -0.611 1.00 1.00 H new ATOM 0 HA LEU A 92 23.401 -4.768 -2.021 1.00 1.00 H new ATOM 0 HB2 LEU A 92 24.178 -7.244 -2.110 1.00 1.00 H new ATOM 0 HB3 LEU A 92 24.997 -6.046 -3.094 1.00 1.00 H new ATOM 0 HG LEU A 92 26.426 -7.733 -1.739 1.00 1.00 H new ATOM 0 HD11 LEU A 92 28.177 -6.012 -1.368 1.00 1.00 H new ATOM 0 HD12 LEU A 92 27.344 -5.773 -2.923 1.00 1.00 H new ATOM 0 HD13 LEU A 92 26.948 -4.735 -1.532 1.00 1.00 H new ATOM 0 HD21 LEU A 92 26.980 -7.021 0.560 1.00 1.00 H new ATOM 0 HD22 LEU A 92 25.719 -5.768 0.473 1.00 1.00 H new ATOM 0 HD23 LEU A 92 25.270 -7.489 0.411 1.00 1.00 H new ATOM 678 N GLN A 93 23.720 -5.612 1.054 1.00 1.00 N ATOM 679 CA GLN A 93 22.959 -6.137 2.218 1.00 1.00 C ATOM 680 C GLN A 93 21.871 -5.125 2.583 1.00 1.00 C ATOM 681 O GLN A 93 21.193 -5.256 3.582 1.00 1.00 O ATOM 682 CB GLN A 93 23.904 -6.330 3.407 1.00 1.00 C ATOM 683 CG GLN A 93 25.160 -7.074 2.948 1.00 1.00 C ATOM 684 CD GLN A 93 25.871 -7.674 4.164 1.00 1.00 C ATOM 685 OE1 GLN A 93 25.919 -7.065 5.214 1.00 1.00 O ATOM 686 NE2 GLN A 93 26.427 -8.851 4.065 1.00 1.00 N ATOM 0 H GLN A 93 24.571 -5.099 1.284 1.00 1.00 H new ATOM 0 HA GLN A 93 22.507 -7.097 1.967 1.00 1.00 H new ATOM 0 HB2 GLN A 93 24.176 -5.363 3.829 1.00 1.00 H new ATOM 0 HB3 GLN A 93 23.403 -6.892 4.195 1.00 1.00 H new ATOM 0 HG2 GLN A 93 24.892 -7.862 2.245 1.00 1.00 H new ATOM 0 HG3 GLN A 93 25.828 -6.392 2.423 1.00 1.00 H new ATOM 0 HE21 GLN A 93 26.386 -9.362 3.183 1.00 1.00 H new ATOM 0 HE22 GLN A 93 26.902 -9.260 4.870 1.00 1.00 H new ATOM 687 N LEU A 94 21.706 -4.111 1.773 1.00 1.00 N ATOM 688 CA LEU A 94 20.673 -3.080 2.056 1.00 1.00 C ATOM 689 C LEU A 94 19.509 -3.249 1.079 1.00 1.00 C ATOM 690 O LEU A 94 18.387 -2.879 1.364 1.00 1.00 O ATOM 691 CB LEU A 94 21.285 -1.688 1.883 1.00 1.00 C ATOM 692 CG LEU A 94 22.623 -1.567 2.639 1.00 1.00 C ATOM 693 CD1 LEU A 94 22.719 -0.174 3.239 1.00 1.00 C ATOM 694 CD2 LEU A 94 22.726 -2.587 3.780 1.00 1.00 C ATOM 0 H LEU A 94 22.248 -3.955 0.923 1.00 1.00 H new ATOM 0 HA LEU A 94 20.311 -3.194 3.078 1.00 1.00 H new ATOM 0 HB2 LEU A 94 21.444 -1.487 0.823 1.00 1.00 H new ATOM 0 HB3 LEU A 94 20.588 -0.934 2.249 1.00 1.00 H new ATOM 0 HG LEU A 94 23.429 -1.756 1.930 1.00 1.00 H new ATOM 0 HD11 LEU A 94 23.661 -0.074 3.777 1.00 1.00 H new ATOM 0 HD12 LEU A 94 22.675 0.569 2.443 1.00 1.00 H new ATOM 0 HD13 LEU A 94 21.889 -0.017 3.928 1.00 1.00 H new ATOM 0 HD21 LEU A 94 23.683 -2.469 4.288 1.00 1.00 H new ATOM 0 HD22 LEU A 94 21.916 -2.422 4.490 1.00 1.00 H new ATOM 0 HD23 LEU A 94 22.652 -3.596 3.374 1.00 1.00 H new ATOM 695 N GLY A 95 19.766 -3.810 -0.072 1.00 1.00 N ATOM 696 CA GLY A 95 18.671 -4.006 -1.063 1.00 1.00 C ATOM 697 C GLY A 95 18.740 -2.917 -2.136 1.00 1.00 C ATOM 698 O GLY A 95 17.777 -2.220 -2.385 1.00 1.00 O ATOM 0 H GLY A 95 20.685 -4.140 -0.368 1.00 1.00 H new ATOM 0 HA2 GLY A 95 18.758 -4.990 -1.524 1.00 1.00 H new ATOM 0 HA3 GLY A 95 17.704 -3.974 -0.561 1.00 1.00 H new ATOM 699 N LEU A 96 19.866 -2.769 -2.779 1.00 1.00 N ATOM 700 CA LEU A 96 19.985 -1.731 -3.842 1.00 1.00 C ATOM 701 C LEU A 96 19.952 -2.414 -5.210 1.00 1.00 C ATOM 702 O LEU A 96 19.344 -1.928 -6.139 1.00 1.00 O ATOM 703 CB LEU A 96 21.303 -0.968 -3.682 1.00 1.00 C ATOM 704 CG LEU A 96 21.575 -0.715 -2.198 1.00 1.00 C ATOM 705 CD1 LEU A 96 23.054 -0.379 -2.002 1.00 1.00 C ATOM 706 CD2 LEU A 96 20.726 0.460 -1.711 1.00 1.00 C ATOM 0 H LEU A 96 20.708 -3.321 -2.615 1.00 1.00 H new ATOM 0 HA LEU A 96 19.157 -1.028 -3.758 1.00 1.00 H new ATOM 0 HB2 LEU A 96 22.121 -1.540 -4.119 1.00 1.00 H new ATOM 0 HB3 LEU A 96 21.254 -0.021 -4.219 1.00 1.00 H new ATOM 0 HG LEU A 96 21.321 -1.609 -1.629 1.00 1.00 H new ATOM 0 HD11 LEU A 96 23.249 -0.198 -0.945 1.00 1.00 H new ATOM 0 HD12 LEU A 96 23.665 -1.213 -2.347 1.00 1.00 H new ATOM 0 HD13 LEU A 96 23.303 0.514 -2.575 1.00 1.00 H new ATOM 0 HD21 LEU A 96 20.922 0.637 -0.654 1.00 1.00 H new ATOM 0 HD22 LEU A 96 20.979 1.353 -2.282 1.00 1.00 H new ATOM 0 HD23 LEU A 96 19.670 0.228 -1.850 1.00 1.00 H new ATOM 707 N GLY A 97 20.599 -3.545 -5.331 1.00 1.00 N ATOM 708 CA GLY A 97 20.607 -4.281 -6.633 1.00 1.00 C ATOM 709 C GLY A 97 20.654 -3.291 -7.799 1.00 1.00 C ATOM 710 O GLY A 97 21.100 -2.172 -7.658 1.00 1.00 O ATOM 0 H GLY A 97 21.125 -3.993 -4.581 1.00 1.00 H new ATOM 0 HA2 GLY A 97 21.468 -4.947 -6.677 1.00 1.00 H new ATOM 0 HA3 GLY A 97 19.717 -4.905 -6.712 1.00 1.00 H new ATOM 711 N LYS A 98 20.192 -3.692 -8.950 1.00 1.00 N ATOM 712 CA LYS A 98 20.211 -2.768 -10.117 1.00 1.00 C ATOM 713 C LYS A 98 18.790 -2.283 -10.414 1.00 1.00 C ATOM 714 O LYS A 98 18.342 -2.302 -11.544 1.00 1.00 O ATOM 715 CB LYS A 98 20.767 -3.504 -11.338 1.00 1.00 C ATOM 716 CG LYS A 98 20.255 -4.946 -11.342 1.00 1.00 C ATOM 717 CD LYS A 98 20.219 -5.471 -12.778 1.00 1.00 C ATOM 718 CE LYS A 98 20.127 -6.998 -12.762 1.00 1.00 C ATOM 719 NZ LYS A 98 21.496 -7.579 -12.860 1.00 1.00 N ATOM 0 H LYS A 98 19.803 -4.617 -9.133 1.00 1.00 H new ATOM 0 HA LYS A 98 20.843 -1.910 -9.889 1.00 1.00 H new ATOM 0 HB2 LYS A 98 20.461 -2.996 -12.253 1.00 1.00 H new ATOM 0 HB3 LYS A 98 21.857 -3.494 -11.317 1.00 1.00 H new ATOM 0 HG2 LYS A 98 20.902 -5.574 -10.730 1.00 1.00 H new ATOM 0 HG3 LYS A 98 19.259 -4.991 -10.902 1.00 1.00 H new ATOM 0 HD2 LYS A 98 19.365 -5.050 -13.309 1.00 1.00 H new ATOM 0 HD3 LYS A 98 21.114 -5.156 -13.314 1.00 1.00 H new ATOM 0 HE2 LYS A 98 19.642 -7.334 -11.845 1.00 1.00 H new ATOM 0 HE3 LYS A 98 19.513 -7.345 -13.593 1.00 1.00 H new ATOM 0 HZ1 LYS A 98 21.434 -8.617 -12.849 1.00 1.00 H new ATOM 0 HZ2 LYS A 98 21.942 -7.268 -13.746 1.00 1.00 H new ATOM 0 HZ3 LYS A 98 22.068 -7.258 -12.053 1.00 1.00 H new ATOM 720 N HIS A 99 18.076 -1.844 -9.411 1.00 1.00 N ATOM 721 CA HIS A 99 16.686 -1.356 -9.647 1.00 1.00 C ATOM 722 C HIS A 99 16.595 0.129 -9.294 1.00 1.00 C ATOM 723 O HIS A 99 17.534 0.721 -8.802 1.00 1.00 O ATOM 724 CB HIS A 99 15.698 -2.126 -8.767 1.00 1.00 C ATOM 725 CG HIS A 99 16.377 -2.539 -7.494 1.00 1.00 C ATOM 726 ND1 HIS A 99 16.256 -1.814 -6.319 1.00 1.00 N ATOM 727 CD2 HIS A 99 17.184 -3.602 -7.200 1.00 1.00 C ATOM 728 CE1 HIS A 99 16.975 -2.449 -5.377 1.00 1.00 C ATOM 729 NE2 HIS A 99 17.562 -3.549 -5.861 1.00 1.00 N ATOM 0 H HIS A 99 18.394 -1.802 -8.443 1.00 1.00 H new ATOM 0 HA HIS A 99 16.439 -1.510 -10.697 1.00 1.00 H new ATOM 0 HB2 HIS A 99 14.832 -1.503 -8.544 1.00 1.00 H new ATOM 0 HB3 HIS A 99 15.331 -3.005 -9.297 1.00 1.00 H new ATOM 0 HD2 HIS A 99 17.483 -4.368 -7.901 1.00 1.00 H new ATOM 0 HE1 HIS A 99 17.067 -2.112 -4.355 1.00 1.00 H new ATOM 0 HE2 HIS A 99 18.158 -4.207 -5.358 1.00 1.00 H new ATOM 730 N ASN A 100 15.460 0.727 -9.522 1.00 1.00 N ATOM 731 CA ASN A 100 15.291 2.165 -9.179 1.00 1.00 C ATOM 732 C ASN A 100 14.380 2.263 -7.955 1.00 1.00 C ATOM 733 O ASN A 100 13.805 3.295 -7.670 1.00 1.00 O ATOM 734 CB ASN A 100 14.652 2.905 -10.356 1.00 1.00 C ATOM 735 CG ASN A 100 13.342 2.216 -10.742 1.00 1.00 C ATOM 736 OD1 ASN A 100 12.856 1.364 -10.025 1.00 1.00 O ATOM 737 ND2 ASN A 100 12.746 2.551 -11.853 1.00 1.00 N ATOM 0 H ASN A 100 14.640 0.280 -9.932 1.00 1.00 H new ATOM 0 HA ASN A 100 16.260 2.616 -8.965 1.00 1.00 H new ATOM 0 HB2 ASN A 100 14.463 3.944 -10.086 1.00 1.00 H new ATOM 0 HB3 ASN A 100 15.334 2.915 -11.206 1.00 1.00 H new ATOM 0 HD21 ASN A 100 11.872 2.098 -12.120 1.00 1.00 H new ATOM 0 HD22 ASN A 100 13.154 3.266 -12.455 1.00 1.00 H new ATOM 738 N TYR A 101 14.243 1.182 -7.236 1.00 1.00 N ATOM 739 CA TYR A 101 13.370 1.180 -6.030 1.00 1.00 C ATOM 740 C TYR A 101 13.993 2.051 -4.938 1.00 1.00 C ATOM 741 O TYR A 101 15.192 2.060 -4.745 1.00 1.00 O ATOM 742 CB TYR A 101 13.232 -0.256 -5.518 1.00 1.00 C ATOM 743 CG TYR A 101 11.821 -0.739 -5.742 1.00 1.00 C ATOM 744 CD1 TYR A 101 10.760 -0.164 -5.030 1.00 1.00 C ATOM 745 CD2 TYR A 101 11.572 -1.764 -6.664 1.00 1.00 C ATOM 746 CE1 TYR A 101 9.450 -0.614 -5.241 1.00 1.00 C ATOM 747 CE2 TYR A 101 10.263 -2.215 -6.874 1.00 1.00 C ATOM 748 CZ TYR A 101 9.202 -1.640 -6.163 1.00 1.00 C ATOM 749 OH TYR A 101 7.912 -2.084 -6.370 1.00 1.00 O ATOM 0 H TYR A 101 14.703 0.294 -7.435 1.00 1.00 H new ATOM 0 HA TYR A 101 12.389 1.579 -6.289 1.00 1.00 H new ATOM 0 HB2 TYR A 101 13.937 -0.907 -6.036 1.00 1.00 H new ATOM 0 HB3 TYR A 101 13.478 -0.300 -4.457 1.00 1.00 H new ATOM 0 HD1 TYR A 101 10.952 0.626 -4.319 1.00 1.00 H new ATOM 0 HD2 TYR A 101 12.390 -2.207 -7.213 1.00 1.00 H new ATOM 0 HE1 TYR A 101 8.632 -0.170 -4.693 1.00 1.00 H new ATOM 0 HE2 TYR A 101 10.072 -3.006 -7.584 1.00 1.00 H new ATOM 0 HH TYR A 101 7.916 -2.798 -7.042 1.00 1.00 H new ATOM 750 N CYS A 102 13.185 2.779 -4.217 1.00 1.00 N ATOM 751 CA CYS A 102 13.729 3.642 -3.131 1.00 1.00 C ATOM 752 C CYS A 102 14.043 2.772 -1.913 1.00 1.00 C ATOM 753 O CYS A 102 13.339 1.827 -1.617 1.00 1.00 O ATOM 754 CB CYS A 102 12.691 4.700 -2.751 1.00 1.00 C ATOM 755 SG CYS A 102 13.328 6.346 -3.154 1.00 1.00 S ATOM 0 H CYS A 102 12.172 2.813 -4.333 1.00 1.00 H new ATOM 0 HA CYS A 102 14.638 4.137 -3.473 1.00 1.00 H new ATOM 0 HB2 CYS A 102 11.759 4.518 -3.286 1.00 1.00 H new ATOM 0 HB3 CYS A 102 12.465 4.637 -1.687 1.00 1.00 H new ATOM 756 N ARG A 103 15.095 3.077 -1.204 1.00 1.00 N ATOM 757 CA ARG A 103 15.446 2.257 -0.010 1.00 1.00 C ATOM 758 C ARG A 103 16.090 3.144 1.056 1.00 1.00 C ATOM 759 O ARG A 103 16.804 4.080 0.753 1.00 1.00 O ATOM 760 CB ARG A 103 16.429 1.158 -0.419 1.00 1.00 C ATOM 761 CG ARG A 103 15.659 -0.126 -0.735 1.00 1.00 C ATOM 762 CD ARG A 103 15.755 -1.086 0.452 1.00 1.00 C ATOM 763 NE ARG A 103 14.755 -2.179 0.288 1.00 1.00 N ATOM 764 CZ ARG A 103 15.109 -3.421 0.476 1.00 1.00 C ATOM 765 NH1 ARG A 103 15.417 -3.837 1.674 1.00 1.00 N ATOM 766 NH2 ARG A 103 15.154 -4.246 -0.533 1.00 1.00 N ATOM 0 H ARG A 103 15.725 3.855 -1.399 1.00 1.00 H new ATOM 0 HA ARG A 103 14.540 1.806 0.396 1.00 1.00 H new ATOM 0 HB2 ARG A 103 17.002 1.474 -1.290 1.00 1.00 H new ATOM 0 HB3 ARG A 103 17.144 0.978 0.384 1.00 1.00 H new ATOM 0 HG2 ARG A 103 14.615 0.106 -0.945 1.00 1.00 H new ATOM 0 HG3 ARG A 103 16.067 -0.596 -1.630 1.00 1.00 H new ATOM 0 HD2 ARG A 103 16.760 -1.504 0.515 1.00 1.00 H new ATOM 0 HD3 ARG A 103 15.574 -0.549 1.383 1.00 1.00 H new ATOM 0 HE ARG A 103 13.794 -1.956 0.029 1.00 1.00 H new ATOM 0 HH11 ARG A 103 15.381 -3.192 2.463 1.00 1.00 H new ATOM 0 HH12 ARG A 103 15.694 -4.808 1.821 1.00 1.00 H new ATOM 0 HH21 ARG A 103 14.913 -3.921 -1.469 1.00 1.00 H new ATOM 0 HH22 ARG A 103 15.431 -5.217 -0.386 1.00 1.00 H new ATOM 767 N ASN A 104 15.847 2.853 2.305 1.00 1.00 N ATOM 768 CA ASN A 104 16.447 3.672 3.395 1.00 1.00 C ATOM 769 C ASN A 104 17.499 2.836 4.131 1.00 1.00 C ATOM 770 O ASN A 104 17.252 2.354 5.218 1.00 1.00 O ATOM 771 CB ASN A 104 15.355 4.091 4.381 1.00 1.00 C ATOM 772 CG ASN A 104 15.760 5.393 5.081 1.00 1.00 C ATOM 773 OD1 ASN A 104 14.940 6.042 5.698 1.00 1.00 O ATOM 774 ND2 ASN A 104 16.999 5.804 5.016 1.00 1.00 N ATOM 0 H ASN A 104 15.257 2.082 2.618 1.00 1.00 H new ATOM 0 HA ASN A 104 16.912 4.561 2.970 1.00 1.00 H new ATOM 0 HB2 ASN A 104 14.410 4.229 3.855 1.00 1.00 H new ATOM 0 HB3 ASN A 104 15.197 3.304 5.119 1.00 1.00 H new ATOM 0 HD21 ASN A 104 17.275 6.668 5.483 1.00 1.00 H new ATOM 0 HD22 ASN A 104 17.690 5.261 4.498 1.00 1.00 H new ATOM 775 N PRO A 105 18.644 2.687 3.513 1.00 1.00 N ATOM 776 CA PRO A 105 19.733 1.916 4.091 1.00 1.00 C ATOM 777 C PRO A 105 20.295 2.630 5.325 1.00 1.00 C ATOM 778 O PRO A 105 19.842 2.418 6.432 1.00 1.00 O ATOM 779 CB PRO A 105 20.777 1.830 2.983 1.00 1.00 C ATOM 780 CG PRO A 105 20.450 3.041 2.059 1.00 1.00 C ATOM 781 CD PRO A 105 18.921 3.285 2.199 1.00 1.00 C ATOM 0 HA PRO A 105 19.415 0.929 4.426 1.00 1.00 H new ATOM 0 HB2 PRO A 105 21.789 1.895 3.383 1.00 1.00 H new ATOM 0 HB3 PRO A 105 20.708 0.886 2.443 1.00 1.00 H new ATOM 0 HG2 PRO A 105 21.015 3.924 2.358 1.00 1.00 H new ATOM 0 HG3 PRO A 105 20.718 2.826 1.025 1.00 1.00 H new ATOM 0 HD2 PRO A 105 18.671 4.346 2.171 1.00 1.00 H new ATOM 0 HD3 PRO A 105 18.355 2.803 1.402 1.00 1.00 H new ATOM 782 N ASP A 106 21.276 3.471 5.149 1.00 1.00 N ATOM 783 CA ASP A 106 21.856 4.188 6.320 1.00 1.00 C ATOM 784 C ASP A 106 22.287 5.596 5.905 1.00 1.00 C ATOM 785 O ASP A 106 23.301 5.777 5.260 1.00 1.00 O ATOM 786 CB ASP A 106 23.071 3.416 6.838 1.00 1.00 C ATOM 787 CG ASP A 106 23.421 3.900 8.246 1.00 1.00 C ATOM 788 OD1 ASP A 106 22.848 3.381 9.189 1.00 1.00 O ATOM 789 OD2 ASP A 106 24.258 4.781 8.357 1.00 1.00 O ATOM 0 H ASP A 106 21.700 3.693 4.248 1.00 1.00 H new ATOM 0 HA ASP A 106 21.104 4.259 7.106 1.00 1.00 H new ATOM 0 HB2 ASP A 106 22.857 2.347 6.852 1.00 1.00 H new ATOM 0 HB3 ASP A 106 23.920 3.562 6.170 1.00 1.00 H new ATOM 790 N ASN A 107 21.531 6.596 6.272 1.00 1.00 N ATOM 791 CA ASN A 107 21.908 7.990 5.899 1.00 1.00 C ATOM 792 C ASN A 107 20.701 8.917 6.071 1.00 1.00 C ATOM 793 O ASN A 107 20.846 10.110 6.247 1.00 1.00 O ATOM 794 CB ASN A 107 22.370 8.021 4.440 1.00 1.00 C ATOM 795 CG ASN A 107 23.869 8.322 4.388 1.00 1.00 C ATOM 796 OD1 ASN A 107 24.308 9.360 4.842 1.00 1.00 O ATOM 797 ND2 ASN A 107 24.679 7.451 3.851 1.00 1.00 N ATOM 0 H ASN A 107 20.671 6.508 6.813 1.00 1.00 H new ATOM 0 HA ASN A 107 22.717 8.329 6.546 1.00 1.00 H new ATOM 0 HB2 ASN A 107 22.163 7.064 3.961 1.00 1.00 H new ATOM 0 HB3 ASN A 107 21.816 8.780 3.888 1.00 1.00 H new ATOM 0 HD21 ASN A 107 25.680 7.642 3.813 1.00 1.00 H new ATOM 0 HD22 ASN A 107 24.311 6.579 3.470 1.00 1.00 H new ATOM 798 N ARG A 108 19.512 8.381 6.022 1.00 1.00 N ATOM 799 CA ARG A 108 18.304 9.240 6.181 1.00 1.00 C ATOM 800 C ARG A 108 17.264 8.515 7.037 1.00 1.00 C ATOM 801 O ARG A 108 17.441 7.373 7.415 1.00 1.00 O ATOM 802 CB ARG A 108 17.703 9.536 4.807 1.00 1.00 C ATOM 803 CG ARG A 108 17.441 11.036 4.679 1.00 1.00 C ATOM 804 CD ARG A 108 18.610 11.692 3.944 1.00 1.00 C ATOM 805 NE ARG A 108 18.714 13.123 4.348 1.00 1.00 N ATOM 806 CZ ARG A 108 18.927 14.043 3.446 1.00 1.00 C ATOM 807 NH1 ARG A 108 20.111 14.170 2.910 1.00 1.00 N ATOM 808 NH2 ARG A 108 17.957 14.836 3.080 1.00 1.00 N ATOM 0 H ARG A 108 19.325 7.389 5.879 1.00 1.00 H new ATOM 0 HA ARG A 108 18.590 10.173 6.667 1.00 1.00 H new ATOM 0 HB2 ARG A 108 18.383 9.206 4.022 1.00 1.00 H new ATOM 0 HB3 ARG A 108 16.774 8.981 4.677 1.00 1.00 H new ATOM 0 HG2 ARG A 108 16.512 11.210 4.136 1.00 1.00 H new ATOM 0 HG3 ARG A 108 17.321 11.482 5.667 1.00 1.00 H new ATOM 0 HD2 ARG A 108 19.538 11.170 4.176 1.00 1.00 H new ATOM 0 HD3 ARG A 108 18.463 11.617 2.866 1.00 1.00 H new ATOM 0 HE ARG A 108 18.619 13.384 5.329 1.00 1.00 H new ATOM 0 HH11 ARG A 108 20.869 13.551 3.196 1.00 1.00 H new ATOM 0 HH12 ARG A 108 20.277 14.889 2.205 1.00 1.00 H new ATOM 0 HH21 ARG A 108 17.032 14.737 3.499 1.00 1.00 H new ATOM 0 HH22 ARG A 108 18.124 15.554 2.375 1.00 1.00 H new ATOM 809 N ARG A 109 16.173 9.166 7.335 1.00 1.00 N ATOM 810 CA ARG A 109 15.112 8.513 8.151 1.00 1.00 C ATOM 811 C ARG A 109 14.060 7.930 7.207 1.00 1.00 C ATOM 812 O ARG A 109 13.407 6.952 7.510 1.00 1.00 O ATOM 813 CB ARG A 109 14.460 9.547 9.071 1.00 1.00 C ATOM 814 CG ARG A 109 13.797 8.834 10.252 1.00 1.00 C ATOM 815 CD ARG A 109 13.307 9.870 11.265 1.00 1.00 C ATOM 816 NE ARG A 109 14.407 10.193 12.218 1.00 1.00 N ATOM 817 CZ ARG A 109 14.534 9.511 13.324 1.00 1.00 C ATOM 818 NH1 ARG A 109 13.649 9.639 14.274 1.00 1.00 N ATOM 819 NH2 ARG A 109 15.545 8.701 13.479 1.00 1.00 N ATOM 0 H ARG A 109 15.971 10.124 7.048 1.00 1.00 H new ATOM 0 HA ARG A 109 15.546 7.721 8.761 1.00 1.00 H new ATOM 0 HB2 ARG A 109 15.209 10.252 9.432 1.00 1.00 H new ATOM 0 HB3 ARG A 109 13.719 10.125 8.519 1.00 1.00 H new ATOM 0 HG2 ARG A 109 12.961 8.229 9.902 1.00 1.00 H new ATOM 0 HG3 ARG A 109 14.506 8.155 10.725 1.00 1.00 H new ATOM 0 HD2 ARG A 109 12.982 10.773 10.749 1.00 1.00 H new ATOM 0 HD3 ARG A 109 12.444 9.484 11.807 1.00 1.00 H new ATOM 0 HE ARG A 109 15.060 10.947 12.006 1.00 1.00 H new ATOM 0 HH11 ARG A 109 12.858 10.272 14.152 1.00 1.00 H new ATOM 0 HH12 ARG A 109 13.748 9.106 15.138 1.00 1.00 H new ATOM 0 HH21 ARG A 109 16.237 8.600 12.736 1.00 1.00 H new ATOM 0 HH22 ARG A 109 15.644 8.168 14.343 1.00 1.00 H new ATOM 820 N ARG A 110 13.903 8.526 6.057 1.00 1.00 N ATOM 821 CA ARG A 110 12.908 8.016 5.075 1.00 1.00 C ATOM 822 C ARG A 110 13.655 7.362 3.909 1.00 1.00 C ATOM 823 O ARG A 110 14.830 7.606 3.720 1.00 1.00 O ATOM 824 CB ARG A 110 12.065 9.183 4.554 1.00 1.00 C ATOM 825 CG ARG A 110 10.958 9.501 5.560 1.00 1.00 C ATOM 826 CD ARG A 110 10.958 11.001 5.858 1.00 1.00 C ATOM 827 NE ARG A 110 10.554 11.226 7.275 1.00 1.00 N ATOM 828 CZ ARG A 110 10.330 12.437 7.704 1.00 1.00 C ATOM 829 NH1 ARG A 110 11.324 13.181 8.105 1.00 1.00 N ATOM 830 NH2 ARG A 110 9.112 12.905 7.732 1.00 1.00 N ATOM 0 H ARG A 110 14.425 9.349 5.755 1.00 1.00 H new ATOM 0 HA ARG A 110 12.255 7.285 5.551 1.00 1.00 H new ATOM 0 HB2 ARG A 110 12.694 10.060 4.400 1.00 1.00 H new ATOM 0 HB3 ARG A 110 11.631 8.929 3.587 1.00 1.00 H new ATOM 0 HG2 ARG A 110 9.990 9.198 5.160 1.00 1.00 H new ATOM 0 HG3 ARG A 110 11.114 8.936 6.479 1.00 1.00 H new ATOM 0 HD2 ARG A 110 11.949 11.418 5.681 1.00 1.00 H new ATOM 0 HD3 ARG A 110 10.271 11.516 5.187 1.00 1.00 H new ATOM 0 HE ARG A 110 10.453 10.433 7.909 1.00 1.00 H new ATOM 0 HH11 ARG A 110 12.276 12.815 8.083 1.00 1.00 H new ATOM 0 HH12 ARG A 110 11.149 14.128 8.441 1.00 1.00 H new ATOM 0 HH21 ARG A 110 8.335 12.324 7.418 1.00 1.00 H new ATOM 0 HH22 ARG A 110 8.937 13.852 8.068 1.00 1.00 H new ATOM 831 N PRO A 111 12.955 6.549 3.163 1.00 1.00 N ATOM 832 CA PRO A 111 13.543 5.859 2.024 1.00 1.00 C ATOM 833 C PRO A 111 13.864 6.858 0.910 1.00 1.00 C ATOM 834 O PRO A 111 12.997 7.544 0.407 1.00 1.00 O ATOM 835 CB PRO A 111 12.469 4.870 1.581 1.00 1.00 C ATOM 836 CG PRO A 111 11.145 5.515 2.098 1.00 1.00 C ATOM 837 CD PRO A 111 11.532 6.266 3.404 1.00 1.00 C ATOM 0 HA PRO A 111 14.480 5.360 2.270 1.00 1.00 H new ATOM 0 HB2 PRO A 111 12.459 4.746 0.498 1.00 1.00 H new ATOM 0 HB3 PRO A 111 12.630 3.882 2.013 1.00 1.00 H new ATOM 0 HG2 PRO A 111 10.728 6.200 1.360 1.00 1.00 H new ATOM 0 HG3 PRO A 111 10.388 4.755 2.292 1.00 1.00 H new ATOM 0 HD2 PRO A 111 10.949 7.177 3.542 1.00 1.00 H new ATOM 0 HD3 PRO A 111 11.380 5.652 4.292 1.00 1.00 H new ATOM 838 N TRP A 112 15.108 6.947 0.527 1.00 1.00 N ATOM 839 CA TRP A 112 15.492 7.904 -0.548 1.00 1.00 C ATOM 840 C TRP A 112 16.093 7.142 -1.726 1.00 1.00 C ATOM 841 O TRP A 112 16.191 5.931 -1.714 1.00 1.00 O ATOM 842 CB TRP A 112 16.528 8.885 -0.008 1.00 1.00 C ATOM 843 CG TRP A 112 17.514 8.150 0.838 1.00 1.00 C ATOM 844 CD1 TRP A 112 17.491 8.109 2.187 1.00 1.00 C ATOM 845 CD2 TRP A 112 18.659 7.349 0.421 1.00 1.00 C ATOM 846 NE1 TRP A 112 18.560 7.350 2.630 1.00 1.00 N ATOM 847 CE2 TRP A 112 19.308 6.858 1.579 1.00 1.00 C ATOM 848 CE3 TRP A 112 19.195 7.009 -0.836 1.00 1.00 C ATOM 849 CZ2 TRP A 112 20.450 6.059 1.492 1.00 1.00 C ATOM 850 CZ3 TRP A 112 20.343 6.202 -0.928 1.00 1.00 C ATOM 851 CH2 TRP A 112 20.971 5.728 0.234 1.00 1.00 C ATOM 0 H TRP A 112 15.876 6.397 0.913 1.00 1.00 H new ATOM 0 HA TRP A 112 14.606 8.446 -0.878 1.00 1.00 H new ATOM 0 HB2 TRP A 112 17.039 9.382 -0.833 1.00 1.00 H new ATOM 0 HB3 TRP A 112 16.038 9.663 0.578 1.00 1.00 H new ATOM 0 HD1 TRP A 112 16.758 8.590 2.818 1.00 1.00 H new ATOM 0 HE1 TRP A 112 18.770 7.175 3.613 1.00 1.00 H new ATOM 0 HE3 TRP A 112 18.721 7.371 -1.736 1.00 1.00 H new ATOM 0 HZ2 TRP A 112 20.929 5.698 2.390 1.00 1.00 H new ATOM 0 HZ3 TRP A 112 20.743 5.946 -1.898 1.00 1.00 H new ATOM 0 HH2 TRP A 112 21.853 5.110 0.159 1.00 1.00 H new ATOM 852 N CYS A 113 16.502 7.847 -2.742 1.00 1.00 N ATOM 853 CA CYS A 113 17.103 7.173 -3.923 1.00 1.00 C ATOM 854 C CYS A 113 18.095 8.127 -4.593 1.00 1.00 C ATOM 855 O CYS A 113 17.791 9.275 -4.848 1.00 1.00 O ATOM 856 CB CYS A 113 15.999 6.800 -4.912 1.00 1.00 C ATOM 857 SG CYS A 113 15.493 8.273 -5.830 1.00 1.00 S ATOM 0 H CYS A 113 16.446 8.863 -2.805 1.00 1.00 H new ATOM 0 HA CYS A 113 17.623 6.268 -3.607 1.00 1.00 H new ATOM 0 HB2 CYS A 113 16.356 6.034 -5.600 1.00 1.00 H new ATOM 0 HB3 CYS A 113 15.146 6.379 -4.380 1.00 1.00 H new ATOM 858 N TYR A 114 19.280 7.661 -4.874 1.00 1.00 N ATOM 859 CA TYR A 114 20.294 8.540 -5.521 1.00 1.00 C ATOM 860 C TYR A 114 19.772 9.015 -6.879 1.00 1.00 C ATOM 861 O TYR A 114 19.971 8.379 -7.895 1.00 1.00 O ATOM 862 CB TYR A 114 21.599 7.757 -5.693 1.00 1.00 C ATOM 863 CG TYR A 114 22.338 7.755 -4.375 1.00 1.00 C ATOM 864 CD1 TYR A 114 23.087 8.875 -3.994 1.00 1.00 C ATOM 865 CD2 TYR A 114 22.257 6.645 -3.527 1.00 1.00 C ATOM 866 CE1 TYR A 114 23.756 8.886 -2.764 1.00 1.00 C ATOM 867 CE2 TYR A 114 22.928 6.654 -2.297 1.00 1.00 C ATOM 868 CZ TYR A 114 23.676 7.776 -1.914 1.00 1.00 C ATOM 869 OH TYR A 114 24.336 7.785 -0.701 1.00 1.00 O ATOM 0 H TYR A 114 19.590 6.708 -4.683 1.00 1.00 H new ATOM 0 HA TYR A 114 20.481 9.414 -4.897 1.00 1.00 H new ATOM 0 HB2 TYR A 114 21.388 6.736 -6.010 1.00 1.00 H new ATOM 0 HB3 TYR A 114 22.213 8.212 -6.470 1.00 1.00 H new ATOM 0 HD1 TYR A 114 23.149 9.731 -4.649 1.00 1.00 H new ATOM 0 HD2 TYR A 114 21.678 5.782 -3.820 1.00 1.00 H new ATOM 0 HE1 TYR A 114 24.334 9.750 -2.471 1.00 1.00 H new ATOM 0 HE2 TYR A 114 22.869 5.796 -1.644 1.00 1.00 H new ATOM 0 HH TYR A 114 24.176 6.938 -0.235 1.00 1.00 H new ATOM 870 N VAL A 115 19.105 10.140 -6.900 1.00 1.00 N ATOM 871 CA VAL A 115 18.572 10.673 -8.185 1.00 1.00 C ATOM 872 C VAL A 115 19.435 11.864 -8.620 1.00 1.00 C ATOM 873 O VAL A 115 19.915 12.626 -7.804 1.00 1.00 O ATOM 874 CB VAL A 115 17.100 11.100 -7.999 1.00 1.00 C ATOM 875 CG1 VAL A 115 16.859 11.535 -6.552 1.00 1.00 C ATOM 876 CG2 VAL A 115 16.751 12.261 -8.942 1.00 1.00 C ATOM 0 H VAL A 115 18.907 10.712 -6.079 1.00 1.00 H new ATOM 0 HA VAL A 115 18.608 9.905 -8.958 1.00 1.00 H new ATOM 0 HB VAL A 115 16.464 10.247 -8.235 1.00 1.00 H new ATOM 0 HG11 VAL A 115 15.818 11.834 -6.431 1.00 1.00 H new ATOM 0 HG12 VAL A 115 17.078 10.704 -5.881 1.00 1.00 H new ATOM 0 HG13 VAL A 115 17.509 12.377 -6.312 1.00 1.00 H new ATOM 0 HG21 VAL A 115 15.710 12.548 -8.796 1.00 1.00 H new ATOM 0 HG22 VAL A 115 17.396 13.113 -8.725 1.00 1.00 H new ATOM 0 HG23 VAL A 115 16.900 11.948 -9.975 1.00 1.00 H new ATOM 877 N GLN A 116 19.639 12.024 -9.899 1.00 1.00 N ATOM 878 CA GLN A 116 20.474 13.160 -10.385 1.00 1.00 C ATOM 879 C GLN A 116 19.830 14.483 -9.965 1.00 1.00 C ATOM 880 O GLN A 116 18.696 14.766 -10.297 1.00 1.00 O ATOM 881 CB GLN A 116 20.575 13.101 -11.911 1.00 1.00 C ATOM 882 CG GLN A 116 21.977 12.636 -12.313 1.00 1.00 C ATOM 883 CD GLN A 116 22.601 13.659 -13.264 1.00 1.00 C ATOM 884 OE1 GLN A 116 21.924 14.539 -13.758 1.00 1.00 O ATOM 885 NE2 GLN A 116 23.873 13.580 -13.544 1.00 1.00 N ATOM 0 H GLN A 116 19.264 11.418 -10.628 1.00 1.00 H new ATOM 0 HA GLN A 116 21.472 13.090 -9.952 1.00 1.00 H new ATOM 0 HB2 GLN A 116 19.825 12.417 -12.309 1.00 1.00 H new ATOM 0 HB3 GLN A 116 20.370 14.083 -12.338 1.00 1.00 H new ATOM 0 HG2 GLN A 116 22.601 12.520 -11.427 1.00 1.00 H new ATOM 0 HG3 GLN A 116 21.924 11.660 -12.796 1.00 1.00 H new ATOM 0 HE21 GLN A 116 24.442 12.842 -13.130 1.00 1.00 H new ATOM 0 HE22 GLN A 116 24.299 14.257 -14.177 1.00 1.00 H new ATOM 886 N VAL A 117 20.545 15.296 -9.237 1.00 1.00 N ATOM 887 CA VAL A 117 19.975 16.601 -8.796 1.00 1.00 C ATOM 888 C VAL A 117 20.673 17.740 -9.543 1.00 1.00 C ATOM 889 O VAL A 117 20.853 18.822 -9.021 1.00 1.00 O ATOM 890 CB VAL A 117 20.184 16.766 -7.288 1.00 1.00 C ATOM 891 CG1 VAL A 117 19.682 18.142 -6.846 1.00 1.00 C ATOM 892 CG2 VAL A 117 19.401 15.680 -6.548 1.00 1.00 C ATOM 0 H VAL A 117 21.500 15.113 -8.928 1.00 1.00 H new ATOM 0 HA VAL A 117 18.908 16.627 -9.016 1.00 1.00 H new ATOM 0 HB VAL A 117 21.246 16.677 -7.057 1.00 1.00 H new ATOM 0 HG11 VAL A 117 19.832 18.256 -5.772 1.00 1.00 H new ATOM 0 HG12 VAL A 117 20.235 18.918 -7.375 1.00 1.00 H new ATOM 0 HG13 VAL A 117 18.620 18.233 -7.076 1.00 1.00 H new ATOM 0 HG21 VAL A 117 19.547 15.794 -5.474 1.00 1.00 H new ATOM 0 HG22 VAL A 117 18.340 15.773 -6.782 1.00 1.00 H new ATOM 0 HG23 VAL A 117 19.757 14.698 -6.860 1.00 1.00 H new ATOM 893 N GLY A 118 21.068 17.505 -10.764 1.00 1.00 N ATOM 894 CA GLY A 118 21.752 18.574 -11.544 1.00 1.00 C ATOM 895 C GLY A 118 23.117 18.072 -12.015 1.00 1.00 C ATOM 896 O GLY A 118 23.390 18.002 -13.197 1.00 1.00 O ATOM 0 H GLY A 118 20.947 16.619 -11.255 1.00 1.00 H new ATOM 0 HA2 GLY A 118 21.142 18.859 -12.402 1.00 1.00 H new ATOM 0 HA3 GLY A 118 21.874 19.466 -10.929 1.00 1.00 H new ATOM 897 N LEU A 119 23.977 17.722 -11.100 1.00 1.00 N ATOM 898 CA LEU A 119 25.324 17.226 -11.501 1.00 1.00 C ATOM 899 C LEU A 119 25.795 16.103 -10.563 1.00 1.00 C ATOM 900 O LEU A 119 26.805 15.473 -10.807 1.00 1.00 O ATOM 901 CB LEU A 119 26.329 18.395 -11.526 1.00 1.00 C ATOM 902 CG LEU A 119 26.641 18.913 -10.114 1.00 1.00 C ATOM 903 CD1 LEU A 119 25.351 19.148 -9.329 1.00 1.00 C ATOM 904 CD2 LEU A 119 27.504 17.895 -9.381 1.00 1.00 C ATOM 0 H LEU A 119 23.807 17.757 -10.095 1.00 1.00 H new ATOM 0 HA LEU A 119 25.261 16.807 -12.505 1.00 1.00 H new ATOM 0 HB2 LEU A 119 27.252 18.070 -12.005 1.00 1.00 H new ATOM 0 HB3 LEU A 119 25.925 19.208 -12.130 1.00 1.00 H new ATOM 0 HG LEU A 119 27.175 19.860 -10.198 1.00 1.00 H new ATOM 0 HD11 LEU A 119 25.594 19.515 -8.332 1.00 1.00 H new ATOM 0 HD12 LEU A 119 24.739 19.886 -9.848 1.00 1.00 H new ATOM 0 HD13 LEU A 119 24.799 18.212 -9.247 1.00 1.00 H new ATOM 0 HD21 LEU A 119 27.726 18.261 -8.379 1.00 1.00 H new ATOM 0 HD22 LEU A 119 26.969 16.948 -9.311 1.00 1.00 H new ATOM 0 HD23 LEU A 119 28.435 17.746 -9.928 1.00 1.00 H new ATOM 905 N LYS A 120 25.077 15.832 -9.504 1.00 1.00 N ATOM 906 CA LYS A 120 25.502 14.740 -8.581 1.00 1.00 C ATOM 907 C LYS A 120 24.260 14.055 -7.994 1.00 1.00 C ATOM 908 O LYS A 120 23.457 14.699 -7.348 1.00 1.00 O ATOM 909 CB LYS A 120 26.341 15.330 -7.448 1.00 1.00 C ATOM 910 CG LYS A 120 27.798 15.424 -7.899 1.00 1.00 C ATOM 911 CD LYS A 120 28.629 14.364 -7.173 1.00 1.00 C ATOM 912 CE LYS A 120 29.157 14.942 -5.860 1.00 1.00 C ATOM 913 NZ LYS A 120 29.947 13.902 -5.142 1.00 1.00 N ATOM 0 H LYS A 120 24.219 16.317 -9.240 1.00 1.00 H new ATOM 0 HA LYS A 120 26.095 14.009 -9.130 1.00 1.00 H new ATOM 0 HB2 LYS A 120 25.967 16.318 -7.178 1.00 1.00 H new ATOM 0 HB3 LYS A 120 26.263 14.706 -6.558 1.00 1.00 H new ATOM 0 HG2 LYS A 120 27.866 15.278 -8.977 1.00 1.00 H new ATOM 0 HG3 LYS A 120 28.192 16.418 -7.686 1.00 1.00 H new ATOM 0 HD2 LYS A 120 28.020 13.482 -6.976 1.00 1.00 H new ATOM 0 HD3 LYS A 120 29.460 14.044 -7.802 1.00 1.00 H new ATOM 0 HE2 LYS A 120 29.780 15.814 -6.059 1.00 1.00 H new ATOM 0 HE3 LYS A 120 28.327 15.278 -5.238 1.00 1.00 H new ATOM 0 HZ1 LYS A 120 30.307 14.294 -4.249 1.00 1.00 H new ATOM 0 HZ2 LYS A 120 29.340 13.082 -4.940 1.00 1.00 H new ATOM 0 HZ3 LYS A 120 30.747 13.603 -5.735 1.00 1.00 H new ATOM 914 N PRO A 121 24.132 12.770 -8.230 1.00 1.00 N ATOM 915 CA PRO A 121 22.997 12.012 -7.724 1.00 1.00 C ATOM 916 C PRO A 121 22.849 12.229 -6.217 1.00 1.00 C ATOM 917 O PRO A 121 23.554 11.639 -5.423 1.00 1.00 O ATOM 918 CB PRO A 121 23.337 10.556 -8.018 1.00 1.00 C ATOM 919 CG PRO A 121 24.348 10.648 -9.205 1.00 1.00 C ATOM 920 CD PRO A 121 25.104 11.995 -9.013 1.00 1.00 C ATOM 0 HA PRO A 121 22.057 12.316 -8.185 1.00 1.00 H new ATOM 0 HB2 PRO A 121 23.780 10.065 -7.151 1.00 1.00 H new ATOM 0 HB3 PRO A 121 22.450 9.984 -8.290 1.00 1.00 H new ATOM 0 HG2 PRO A 121 25.040 9.806 -9.196 1.00 1.00 H new ATOM 0 HG3 PRO A 121 23.829 10.624 -10.163 1.00 1.00 H new ATOM 0 HD2 PRO A 121 26.047 11.864 -8.482 1.00 1.00 H new ATOM 0 HD3 PRO A 121 25.338 12.473 -9.964 1.00 1.00 H new ATOM 921 N LEU A 122 21.936 13.067 -5.817 1.00 1.00 N ATOM 922 CA LEU A 122 21.740 13.317 -4.363 1.00 1.00 C ATOM 923 C LEU A 122 20.625 12.403 -3.851 1.00 1.00 C ATOM 924 O LEU A 122 19.642 12.174 -4.528 1.00 1.00 O ATOM 925 CB LEU A 122 21.351 14.781 -4.148 1.00 1.00 C ATOM 926 CG LEU A 122 22.473 15.506 -3.405 1.00 1.00 C ATOM 927 CD1 LEU A 122 22.140 16.996 -3.304 1.00 1.00 C ATOM 928 CD2 LEU A 122 22.615 14.921 -1.998 1.00 1.00 C ATOM 0 H LEU A 122 21.316 13.591 -6.435 1.00 1.00 H new ATOM 0 HA LEU A 122 22.662 13.110 -3.820 1.00 1.00 H new ATOM 0 HB2 LEU A 122 21.166 15.263 -5.108 1.00 1.00 H new ATOM 0 HB3 LEU A 122 20.425 14.842 -3.577 1.00 1.00 H new ATOM 0 HG LEU A 122 23.409 15.378 -3.949 1.00 1.00 H new ATOM 0 HD11 LEU A 122 22.940 17.513 -2.774 1.00 1.00 H new ATOM 0 HD12 LEU A 122 22.038 17.415 -4.305 1.00 1.00 H new ATOM 0 HD13 LEU A 122 21.204 17.124 -2.761 1.00 1.00 H new ATOM 0 HD21 LEU A 122 23.415 15.438 -1.468 1.00 1.00 H new ATOM 0 HD22 LEU A 122 21.679 15.048 -1.455 1.00 1.00 H new ATOM 0 HD23 LEU A 122 22.853 13.859 -2.068 1.00 1.00 H new ATOM 929 N VAL A 123 20.764 11.871 -2.667 1.00 1.00 N ATOM 930 CA VAL A 123 19.700 10.970 -2.142 1.00 1.00 C ATOM 931 C VAL A 123 18.449 11.796 -1.834 1.00 1.00 C ATOM 932 O VAL A 123 18.469 12.693 -1.015 1.00 1.00 O ATOM 933 CB VAL A 123 20.195 10.244 -0.876 1.00 1.00 C ATOM 934 CG1 VAL A 123 21.709 10.045 -0.957 1.00 1.00 C ATOM 935 CG2 VAL A 123 19.860 11.057 0.381 1.00 1.00 C ATOM 0 H VAL A 123 21.560 12.019 -2.046 1.00 1.00 H new ATOM 0 HA VAL A 123 19.456 10.217 -2.892 1.00 1.00 H new ATOM 0 HB VAL A 123 19.695 9.277 -0.815 1.00 1.00 H new ATOM 0 HG11 VAL A 123 22.057 9.531 -0.061 1.00 1.00 H new ATOM 0 HG12 VAL A 123 21.951 9.446 -1.835 1.00 1.00 H new ATOM 0 HG13 VAL A 123 22.200 11.015 -1.033 1.00 1.00 H new ATOM 0 HG21 VAL A 123 20.218 10.527 1.263 1.00 1.00 H new ATOM 0 HG22 VAL A 123 20.343 12.032 0.323 1.00 1.00 H new ATOM 0 HG23 VAL A 123 18.780 11.190 0.451 1.00 1.00 H new ATOM 936 N GLN A 124 17.363 11.500 -2.484 1.00 1.00 N ATOM 937 CA GLN A 124 16.116 12.267 -2.228 1.00 1.00 C ATOM 938 C GLN A 124 15.023 11.307 -1.766 1.00 1.00 C ATOM 939 O GLN A 124 14.696 10.356 -2.448 1.00 1.00 O ATOM 940 CB GLN A 124 15.671 12.963 -3.515 1.00 1.00 C ATOM 941 CG GLN A 124 16.077 14.437 -3.466 1.00 1.00 C ATOM 942 CD GLN A 124 17.597 14.553 -3.591 1.00 1.00 C ATOM 943 OE1 GLN A 124 18.256 15.042 -2.696 1.00 1.00 O ATOM 944 NE2 GLN A 124 18.185 14.122 -4.673 1.00 1.00 N ATOM 0 H GLN A 124 17.284 10.760 -3.182 1.00 1.00 H new ATOM 0 HA GLN A 124 16.298 13.015 -1.457 1.00 1.00 H new ATOM 0 HB2 GLN A 124 16.126 12.478 -4.379 1.00 1.00 H new ATOM 0 HB3 GLN A 124 14.591 12.876 -3.633 1.00 1.00 H new ATOM 0 HG2 GLN A 124 15.592 14.986 -4.274 1.00 1.00 H new ATOM 0 HG3 GLN A 124 15.743 14.886 -2.531 1.00 1.00 H new ATOM 0 HE21 GLN A 124 17.632 13.711 -5.425 1.00 1.00 H new ATOM 0 HE22 GLN A 124 19.198 14.196 -4.767 1.00 1.00 H new ATOM 945 N GLU A 125 14.453 11.545 -0.617 1.00 1.00 N ATOM 946 CA GLU A 125 13.378 10.641 -0.129 1.00 1.00 C ATOM 947 C GLU A 125 12.415 10.368 -1.286 1.00 1.00 C ATOM 948 O GLU A 125 12.450 11.038 -2.299 1.00 1.00 O ATOM 949 CB GLU A 125 12.622 11.312 1.019 1.00 1.00 C ATOM 950 CG GLU A 125 13.611 11.710 2.117 1.00 1.00 C ATOM 951 CD GLU A 125 12.840 12.184 3.350 1.00 1.00 C ATOM 952 OE1 GLU A 125 11.668 12.490 3.210 1.00 1.00 O ATOM 953 OE2 GLU A 125 13.436 12.233 4.414 1.00 1.00 O ATOM 0 H GLU A 125 14.685 12.323 0.001 1.00 1.00 H new ATOM 0 HA GLU A 125 13.809 9.707 0.230 1.00 1.00 H new ATOM 0 HB2 GLU A 125 12.093 12.193 0.655 1.00 1.00 H new ATOM 0 HB3 GLU A 125 11.871 10.632 1.420 1.00 1.00 H new ATOM 0 HG2 GLU A 125 14.245 10.862 2.375 1.00 1.00 H new ATOM 0 HG3 GLU A 125 14.269 12.502 1.759 1.00 1.00 H new ATOM 954 N CYS A 126 11.558 9.396 -1.156 1.00 1.00 N ATOM 955 CA CYS A 126 10.608 9.102 -2.266 1.00 1.00 C ATOM 956 C CYS A 126 9.192 9.506 -1.846 1.00 1.00 C ATOM 957 O CYS A 126 8.880 9.579 -0.674 1.00 1.00 O ATOM 958 CB CYS A 126 10.638 7.605 -2.580 1.00 1.00 C ATOM 959 SG CYS A 126 11.750 7.302 -3.976 1.00 1.00 S ATOM 0 H CYS A 126 11.473 8.795 -0.336 1.00 1.00 H new ATOM 0 HA CYS A 126 10.900 9.665 -3.152 1.00 1.00 H new ATOM 0 HB2 CYS A 126 10.974 7.046 -1.706 1.00 1.00 H new ATOM 0 HB3 CYS A 126 9.634 7.252 -2.818 1.00 1.00 H new ATOM 960 N MET A 127 8.333 9.769 -2.793 1.00 1.00 N ATOM 961 CA MET A 127 6.940 10.169 -2.445 1.00 1.00 C ATOM 962 C MET A 127 6.086 8.917 -2.232 1.00 1.00 C ATOM 963 O MET A 127 5.622 8.303 -3.173 1.00 1.00 O ATOM 964 CB MET A 127 6.347 11.000 -3.585 1.00 1.00 C ATOM 965 CG MET A 127 6.626 10.307 -4.921 1.00 1.00 C ATOM 966 SD MET A 127 5.099 10.222 -5.888 1.00 1.00 S ATOM 967 CE MET A 127 5.196 8.466 -6.314 1.00 1.00 C ATOM 0 H MET A 127 8.535 9.724 -3.792 1.00 1.00 H new ATOM 0 HA MET A 127 6.952 10.761 -1.530 1.00 1.00 H new ATOM 0 HB2 MET A 127 5.273 11.119 -3.442 1.00 1.00 H new ATOM 0 HB3 MET A 127 6.781 12.000 -3.584 1.00 1.00 H new ATOM 0 HG2 MET A 127 7.389 10.854 -5.474 1.00 1.00 H new ATOM 0 HG3 MET A 127 7.016 9.304 -4.748 1.00 1.00 H new ATOM 0 HE1 MET A 127 4.639 8.283 -7.233 1.00 1.00 H new ATOM 0 HE2 MET A 127 6.239 8.184 -6.459 1.00 1.00 H new ATOM 0 HE3 MET A 127 4.768 7.872 -5.507 1.00 1.00 H new ATOM 968 N VAL A 128 5.872 8.533 -1.003 1.00 1.00 N ATOM 969 CA VAL A 128 5.046 7.322 -0.735 1.00 1.00 C ATOM 970 C VAL A 128 3.930 7.674 0.252 1.00 1.00 C ATOM 971 O VAL A 128 3.449 6.832 0.985 1.00 1.00 O ATOM 972 CB VAL A 128 5.930 6.221 -0.143 1.00 1.00 C ATOM 973 CG1 VAL A 128 6.273 6.561 1.309 1.00 1.00 C ATOM 974 CG2 VAL A 128 5.180 4.888 -0.191 1.00 1.00 C ATOM 0 H VAL A 128 6.233 9.005 -0.174 1.00 1.00 H new ATOM 0 HA VAL A 128 4.605 6.968 -1.667 1.00 1.00 H new ATOM 0 HB VAL A 128 6.850 6.144 -0.722 1.00 1.00 H new ATOM 0 HG11 VAL A 128 6.902 5.776 1.728 1.00 1.00 H new ATOM 0 HG12 VAL A 128 6.807 7.511 1.344 1.00 1.00 H new ATOM 0 HG13 VAL A 128 5.355 6.639 1.891 1.00 1.00 H new ATOM 0 HG21 VAL A 128 5.807 4.102 0.230 1.00 1.00 H new ATOM 0 HG22 VAL A 128 4.260 4.967 0.388 1.00 1.00 H new ATOM 0 HG23 VAL A 128 4.938 4.644 -1.225 1.00 1.00 H new ATOM 975 N HIS A 129 3.516 8.911 0.278 1.00 1.00 N ATOM 976 CA HIS A 129 2.432 9.315 1.218 1.00 1.00 C ATOM 977 C HIS A 129 1.214 9.787 0.421 1.00 1.00 C ATOM 978 O HIS A 129 0.985 9.361 -0.694 1.00 1.00 O ATOM 979 CB HIS A 129 2.928 10.452 2.113 1.00 1.00 C ATOM 980 CG HIS A 129 2.315 10.318 3.480 1.00 1.00 C ATOM 981 ND1 HIS A 129 2.384 11.331 4.424 1.00 1.00 N ATOM 982 CD2 HIS A 129 1.616 9.297 4.076 1.00 1.00 C ATOM 983 CE1 HIS A 129 1.744 10.901 5.527 1.00 1.00 C ATOM 984 NE2 HIS A 129 1.256 9.667 5.368 1.00 1.00 N ATOM 0 H HIS A 129 3.881 9.659 -0.311 1.00 1.00 H new ATOM 0 HA HIS A 129 2.153 8.462 1.837 1.00 1.00 H new ATOM 0 HB2 HIS A 129 4.015 10.424 2.186 1.00 1.00 H new ATOM 0 HB3 HIS A 129 2.663 11.415 1.677 1.00 1.00 H new ATOM 0 HD2 HIS A 129 1.381 8.350 3.612 1.00 1.00 H new ATOM 0 HE1 HIS A 129 1.638 11.482 6.431 1.00 1.00 H new ATOM 0 HE2 HIS A 129 0.732 9.115 6.048 1.00 1.00 H new