USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 917 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 75 LYS NZ :NH3+ -113:sc= -2.19! (180deg=-5.41!) USER MOD Set 1.2: A 89 TYR OH : rot 30:sc=-0.00966 USER MOD Set 2.1: A 74 CYS SG : rot -57:sc= -0.431 USER MOD Set 2.2: A 78 THR OG1 : rot -13:sc= 2.29 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= 1.14 K(o=1.1,f=-4!) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -169:sc= -0.0143 (180deg=-0.161) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -166:sc= 0.878 (180deg=0.741) USER MOD Single : A 63 ASN : amide:sc= -4.12 K(o=-4.1,f=-0.59) USER MOD Single : A 65 LYS NZ :NH3+ -164:sc= -0.0351 (180deg=-0.284) USER MOD Single : A 76 MET CE :methyl -138:sc= -0.85 (180deg=-3.67!) USER MOD Single : A 77 GLN : amide:sc= -4.59! C(o=-4.6!,f=-5.2!) USER MOD Single : A 81 HIS : no HE2:sc= -0.786! C(o=-0.79!,f=-5.3!) USER MOD Single : A 90 ASN : amide:sc= -0.0521 X(o=-0.052,f=0) USER MOD Single : A 92 GLN : amide:sc= -0.0105 K(o=-0.01,f=-0.91) USER MOD Single : A 93 GLN : amide:sc= -0.307 X(o=-0.31,f=-0.064) USER MOD Single : A 96 HIS : no HD1:sc= -0.293 K(o=-0.29,f=-2) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= -0.0604 USER MOD Single : A 106 CYS SG : rot -24:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 1.29 K(o=1.3,f=-0.82) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 108:sc= 0.00448 USER MOD Single : A 118 SER OG : rot 130:sc= 0.177 USER MOD Single : A 122 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.26) USER MOD Single : A 124 TYR OH : rot 180:sc= -0.439 USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -12.9! C(o=-13!,f=-14!) USER MOD Single : A 131 CYS SG : rot 168:sc= -1.96! USER MOD Single : A 132 THR OG1 : rot 75:sc= 0.301 USER MOD Single : A 135 LYS NZ :NH3+ -139:sc= 0.847 (180deg=-1.43) USER MOD Single : A 137 HIS : no HD1:sc= -0.137 X(o=-0.14,f=0.027) USER MOD Single : A 138 SER OG : rot -56:sc= -0.688! USER MOD Single : A 140 LYS NZ :NH3+ -165:sc= -0.0232 (180deg=-0.248) USER MOD Single : A 141 LYS NZ :NH3+ -166:sc= -0.0279 (180deg=-0.192) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 23 SER OG : rot 180:sc= 0 USER MOD Single : B 24 GLN : amide:sc= -0.642 X(o=-0.64,f=-0.29) USER MOD Single : B 27 SER OG : rot 180:sc= 0 USER MOD Single : B 29 SER OG : rot 135:sc= 1.16 USER MOD Single : B 33 GLN : amide:sc= 0.414 X(o=0.41,f=-0.0049) USER MOD Single : B 34 TYR OH : rot 20:sc= 0.254 USER MOD Single : B 36 THR OG1 : rot 180:sc=-0.00594 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 51 -13.817 6.919 12.936 1.00 10.57 N ATOM 2 CA GLY A 51 -13.463 5.780 12.053 1.00 9.93 C ATOM 3 C GLY A 51 -14.509 4.682 12.084 1.00 9.27 C ATOM 4 O GLY A 51 -14.185 3.516 12.307 1.00 9.29 O ATOM 0 HA2 GLY A 51 -13.346 6.139 11.030 1.00 9.93 H new ATOM 0 HA3 GLY A 51 -12.500 5.371 12.360 1.00 9.93 H new ATOM 10 N SER A 52 -15.764 5.049 11.867 1.00 8.95 N ATOM 11 CA SER A 52 -16.851 4.085 11.878 1.00 8.59 C ATOM 12 C SER A 52 -17.205 3.652 10.455 1.00 7.80 C ATOM 13 O SER A 52 -17.320 4.482 9.549 1.00 7.91 O ATOM 14 CB SER A 52 -18.076 4.687 12.572 1.00 9.23 C ATOM 15 OG SER A 52 -17.749 5.147 13.876 1.00 9.51 O ATOM 0 H SER A 52 -16.053 6.009 11.681 1.00 8.95 H new ATOM 0 HA SER A 52 -16.528 3.203 12.431 1.00 8.59 H new ATOM 0 HB2 SER A 52 -18.465 5.514 11.978 1.00 9.23 H new ATOM 0 HB3 SER A 52 -18.867 3.940 12.634 1.00 9.23 H new ATOM 0 HG SER A 52 -18.547 5.529 14.298 1.00 9.51 H new ATOM 21 N HIS A 53 -17.364 2.351 10.264 1.00 7.28 N ATOM 22 CA HIS A 53 -17.696 1.801 8.958 1.00 6.80 C ATOM 23 C HIS A 53 -19.144 2.108 8.600 1.00 5.91 C ATOM 24 O HIS A 53 -20.070 1.504 9.141 1.00 6.03 O ATOM 25 CB HIS A 53 -17.467 0.288 8.940 1.00 7.25 C ATOM 26 CG HIS A 53 -16.031 -0.110 9.058 1.00 7.97 C ATOM 27 ND1 HIS A 53 -15.444 -0.316 10.280 1.00 8.46 N ATOM 28 CD2 HIS A 53 -15.119 -0.346 8.086 1.00 8.53 C ATOM 29 CE1 HIS A 53 -14.198 -0.671 10.029 1.00 9.23 C ATOM 30 NE2 HIS A 53 -13.953 -0.705 8.710 1.00 9.30 N ATOM 0 H HIS A 53 -17.268 1.653 11.001 1.00 7.28 H new ATOM 0 HA HIS A 53 -17.044 2.266 8.218 1.00 6.80 H new ATOM 0 HB2 HIS A 53 -18.027 -0.164 9.759 1.00 7.25 H new ATOM 0 HB3 HIS A 53 -17.872 -0.120 8.014 1.00 7.25 H new ATOM 0 HD2 HIS A 53 -15.280 -0.266 7.021 1.00 8.53 H new ATOM 0 HE1 HIS A 53 -13.467 -0.905 10.789 1.00 9.23 H new ATOM 0 HE2 HIS A 53 -13.071 -0.950 8.260 1.00 9.30 H new ATOM 38 N MET A 54 -19.331 3.062 7.696 1.00 5.30 N ATOM 39 CA MET A 54 -20.666 3.426 7.229 1.00 4.57 C ATOM 40 C MET A 54 -21.139 2.444 6.157 1.00 4.14 C ATOM 41 O MET A 54 -22.299 2.463 5.744 1.00 4.31 O ATOM 42 CB MET A 54 -20.659 4.856 6.678 1.00 4.58 C ATOM 43 CG MET A 54 -22.042 5.409 6.367 1.00 4.17 C ATOM 44 SD MET A 54 -23.072 5.554 7.838 1.00 4.68 S ATOM 45 CE MET A 54 -24.594 6.181 7.127 1.00 5.36 C ATOM 0 H MET A 54 -18.575 3.599 7.270 1.00 5.30 H new ATOM 0 HA MET A 54 -21.358 3.379 8.070 1.00 4.57 H new ATOM 0 HB2 MET A 54 -20.172 5.510 7.401 1.00 4.58 H new ATOM 0 HB3 MET A 54 -20.057 4.881 5.770 1.00 4.58 H new ATOM 0 HG2 MET A 54 -21.942 6.388 5.899 1.00 4.17 H new ATOM 0 HG3 MET A 54 -22.536 4.760 5.644 1.00 4.17 H new ATOM 0 HE1 MET A 54 -25.333 6.323 7.916 1.00 5.36 H new ATOM 0 HE2 MET A 54 -24.400 7.134 6.635 1.00 5.36 H new ATOM 0 HE3 MET A 54 -24.976 5.467 6.397 1.00 5.36 H new ATOM 55 N GLY A 55 -20.225 1.593 5.704 1.00 4.00 N ATOM 56 CA GLY A 55 -20.570 0.555 4.749 1.00 3.88 C ATOM 57 C GLY A 55 -20.606 1.053 3.317 1.00 3.32 C ATOM 58 O GLY A 55 -19.673 0.825 2.551 1.00 3.61 O ATOM 0 H GLY A 55 -19.244 1.604 5.983 1.00 4.00 H new ATOM 0 HA2 GLY A 55 -19.847 -0.257 4.827 1.00 3.88 H new ATOM 0 HA3 GLY A 55 -21.544 0.140 5.008 1.00 3.88 H new ATOM 62 N LYS A 56 -21.673 1.763 2.974 1.00 2.94 N ATOM 63 CA LYS A 56 -21.902 2.236 1.606 1.00 2.69 C ATOM 64 C LYS A 56 -21.050 3.461 1.279 1.00 2.34 C ATOM 65 O LYS A 56 -21.344 4.208 0.346 1.00 2.48 O ATOM 66 CB LYS A 56 -23.382 2.564 1.421 1.00 2.93 C ATOM 67 CG LYS A 56 -23.880 3.630 2.383 1.00 3.20 C ATOM 68 CD LYS A 56 -25.389 3.796 2.304 1.00 3.88 C ATOM 69 CE LYS A 56 -25.829 4.301 0.939 1.00 4.35 C ATOM 70 NZ LYS A 56 -25.307 5.663 0.653 1.00 4.58 N ATOM 0 H LYS A 56 -22.406 2.029 3.632 1.00 2.94 H new ATOM 0 HA LYS A 56 -21.610 1.441 0.920 1.00 2.69 H new ATOM 0 HB2 LYS A 56 -23.549 2.900 0.398 1.00 2.93 H new ATOM 0 HB3 LYS A 56 -23.969 1.656 1.558 1.00 2.93 H new ATOM 0 HG2 LYS A 56 -23.596 3.363 3.401 1.00 3.20 H new ATOM 0 HG3 LYS A 56 -23.397 4.580 2.156 1.00 3.20 H new ATOM 0 HD2 LYS A 56 -25.871 2.841 2.511 1.00 3.88 H new ATOM 0 HD3 LYS A 56 -25.719 4.494 3.074 1.00 3.88 H new ATOM 0 HE2 LYS A 56 -25.483 3.611 0.169 1.00 4.35 H new ATOM 0 HE3 LYS A 56 -26.918 4.313 0.891 1.00 4.35 H new ATOM 0 HZ1 LYS A 56 -25.776 6.044 -0.194 1.00 4.58 H new ATOM 0 HZ2 LYS A 56 -25.498 6.285 1.464 1.00 4.58 H new ATOM 0 HZ3 LYS A 56 -24.281 5.614 0.488 1.00 4.58 H new ATOM 84 N LYS A 57 -20.007 3.664 2.060 1.00 2.10 N ATOM 85 CA LYS A 57 -19.070 4.752 1.834 1.00 1.85 C ATOM 86 C LYS A 57 -18.297 4.569 0.537 1.00 1.54 C ATOM 87 O LYS A 57 -18.137 3.450 0.042 1.00 1.68 O ATOM 88 CB LYS A 57 -18.098 4.874 2.995 1.00 1.99 C ATOM 89 CG LYS A 57 -18.612 5.748 4.122 1.00 1.98 C ATOM 90 CD LYS A 57 -18.982 7.130 3.620 1.00 2.02 C ATOM 91 CE LYS A 57 -19.322 8.067 4.765 1.00 2.40 C ATOM 92 NZ LYS A 57 -19.718 9.413 4.276 1.00 3.04 N ATOM 0 H LYS A 57 -19.784 3.082 2.868 1.00 2.10 H new ATOM 0 HA LYS A 57 -19.655 5.668 1.756 1.00 1.85 H new ATOM 0 HB2 LYS A 57 -17.884 3.879 3.386 1.00 1.99 H new ATOM 0 HB3 LYS A 57 -17.156 5.283 2.629 1.00 1.99 H new ATOM 0 HG2 LYS A 57 -19.483 5.280 4.580 1.00 1.98 H new ATOM 0 HG3 LYS A 57 -17.850 5.832 4.897 1.00 1.98 H new ATOM 0 HD2 LYS A 57 -18.153 7.543 3.045 1.00 2.02 H new ATOM 0 HD3 LYS A 57 -19.834 7.056 2.944 1.00 2.02 H new ATOM 0 HE2 LYS A 57 -20.134 7.641 5.355 1.00 2.40 H new ATOM 0 HE3 LYS A 57 -18.461 8.159 5.427 1.00 2.40 H new ATOM 0 HZ1 LYS A 57 -19.943 10.025 5.087 1.00 3.04 H new ATOM 0 HZ2 LYS A 57 -18.934 9.830 3.734 1.00 3.04 H new ATOM 0 HZ3 LYS A 57 -20.555 9.328 3.664 1.00 3.04 H new ATOM 106 N CYS A 58 -17.822 5.679 -0.006 1.00 1.34 N ATOM 107 CA CYS A 58 -17.040 5.659 -1.225 1.00 1.07 C ATOM 108 C CYS A 58 -15.856 6.612 -1.101 1.00 0.85 C ATOM 109 O CYS A 58 -16.018 7.830 -1.154 1.00 1.07 O ATOM 110 CB CYS A 58 -17.914 6.050 -2.415 1.00 1.26 C ATOM 111 SG CYS A 58 -17.104 5.854 -4.022 1.00 1.99 S ATOM 0 H CYS A 58 -17.968 6.610 0.384 1.00 1.34 H new ATOM 0 HA CYS A 58 -16.661 4.650 -1.387 1.00 1.07 H new ATOM 0 HB2 CYS A 58 -18.821 5.445 -2.401 1.00 1.26 H new ATOM 0 HB3 CYS A 58 -18.222 7.089 -2.300 1.00 1.26 H new ATOM 0 HG CYS A 58 -17.924 6.208 -4.967 1.00 1.99 H new ATOM 117 N TYR A 59 -14.670 6.050 -0.913 1.00 0.57 N ATOM 118 CA TYR A 59 -13.456 6.846 -0.788 1.00 0.44 C ATOM 119 C TYR A 59 -12.505 6.541 -1.923 1.00 0.41 C ATOM 120 O TYR A 59 -11.321 6.855 -1.845 1.00 0.42 O ATOM 121 CB TYR A 59 -12.774 6.590 0.559 1.00 0.66 C ATOM 122 CG TYR A 59 -13.527 7.191 1.706 1.00 0.89 C ATOM 123 CD1 TYR A 59 -14.700 6.618 2.130 1.00 1.04 C ATOM 124 CD2 TYR A 59 -13.081 8.339 2.342 1.00 1.06 C ATOM 125 CE1 TYR A 59 -15.430 7.162 3.165 1.00 1.27 C ATOM 126 CE2 TYR A 59 -13.796 8.893 3.384 1.00 1.30 C ATOM 127 CZ TYR A 59 -14.973 8.303 3.789 1.00 1.34 C ATOM 128 OH TYR A 59 -15.699 8.860 4.815 1.00 1.64 O ATOM 0 H TYR A 59 -14.522 5.043 -0.843 1.00 0.57 H new ATOM 0 HA TYR A 59 -13.734 7.899 -0.838 1.00 0.44 H new ATOM 0 HB2 TYR A 59 -12.677 5.516 0.715 1.00 0.66 H new ATOM 0 HB3 TYR A 59 -11.765 7.001 0.536 1.00 0.66 H new ATOM 0 HD1 TYR A 59 -15.058 5.723 1.643 1.00 1.04 H new ATOM 0 HD2 TYR A 59 -12.162 8.806 2.018 1.00 1.06 H new ATOM 0 HE1 TYR A 59 -16.352 6.698 3.484 1.00 1.27 H new ATOM 0 HE2 TYR A 59 -13.435 9.783 3.879 1.00 1.30 H new ATOM 0 HH TYR A 59 -15.238 9.659 5.146 1.00 1.64 H new ATOM 138 N LYS A 60 -13.048 5.940 -2.979 1.00 0.42 N ATOM 139 CA LYS A 60 -12.257 5.467 -4.112 1.00 0.43 C ATOM 140 C LYS A 60 -11.297 6.541 -4.619 1.00 0.40 C ATOM 141 O LYS A 60 -10.085 6.370 -4.538 1.00 0.41 O ATOM 142 CB LYS A 60 -13.186 5.004 -5.238 1.00 0.52 C ATOM 143 CG LYS A 60 -12.452 4.443 -6.440 1.00 1.16 C ATOM 144 CD LYS A 60 -13.410 3.794 -7.423 1.00 1.35 C ATOM 145 CE LYS A 60 -12.693 3.354 -8.687 1.00 1.75 C ATOM 146 NZ LYS A 60 -12.162 4.513 -9.453 1.00 2.29 N ATOM 0 H LYS A 60 -14.049 5.767 -3.073 1.00 0.42 H new ATOM 0 HA LYS A 60 -11.653 4.625 -3.773 1.00 0.43 H new ATOM 0 HB2 LYS A 60 -13.863 4.243 -4.849 1.00 0.52 H new ATOM 0 HB3 LYS A 60 -13.801 5.845 -5.559 1.00 0.52 H new ATOM 0 HG2 LYS A 60 -11.904 5.242 -6.938 1.00 1.16 H new ATOM 0 HG3 LYS A 60 -11.716 3.710 -6.109 1.00 1.16 H new ATOM 0 HD2 LYS A 60 -13.886 2.933 -6.955 1.00 1.35 H new ATOM 0 HD3 LYS A 60 -14.203 4.497 -7.679 1.00 1.35 H new ATOM 0 HE2 LYS A 60 -11.873 2.685 -8.426 1.00 1.75 H new ATOM 0 HE3 LYS A 60 -13.379 2.787 -9.316 1.00 1.75 H new ATOM 0 HZ1 LYS A 60 -11.894 4.204 -10.409 1.00 2.29 H new ATOM 0 HZ2 LYS A 60 -12.893 5.250 -9.519 1.00 2.29 H new ATOM 0 HZ3 LYS A 60 -11.327 4.897 -8.967 1.00 2.29 H new ATOM 160 N LEU A 61 -11.845 7.650 -5.105 1.00 0.45 N ATOM 161 CA LEU A 61 -11.039 8.752 -5.633 1.00 0.49 C ATOM 162 C LEU A 61 -9.956 9.179 -4.642 1.00 0.38 C ATOM 163 O LEU A 61 -8.814 9.433 -5.031 1.00 0.41 O ATOM 164 CB LEU A 61 -11.924 9.960 -5.975 1.00 0.62 C ATOM 165 CG LEU A 61 -12.774 10.514 -4.823 1.00 0.63 C ATOM 166 CD1 LEU A 61 -13.037 11.996 -5.027 1.00 0.75 C ATOM 167 CD2 LEU A 61 -14.097 9.766 -4.711 1.00 0.81 C ATOM 0 H LEU A 61 -12.851 7.813 -5.145 1.00 0.45 H new ATOM 0 HA LEU A 61 -10.556 8.391 -6.541 1.00 0.49 H new ATOM 0 HB2 LEU A 61 -11.285 10.761 -6.347 1.00 0.62 H new ATOM 0 HB3 LEU A 61 -12.590 9.679 -6.790 1.00 0.62 H new ATOM 0 HG LEU A 61 -12.217 10.372 -3.897 1.00 0.63 H new ATOM 0 HD11 LEU A 61 -13.641 12.375 -4.203 1.00 0.75 H new ATOM 0 HD12 LEU A 61 -12.089 12.533 -5.059 1.00 0.75 H new ATOM 0 HD13 LEU A 61 -13.570 12.145 -5.966 1.00 0.75 H new ATOM 0 HD21 LEU A 61 -14.680 10.178 -3.887 1.00 0.81 H new ATOM 0 HD22 LEU A 61 -14.656 9.874 -5.641 1.00 0.81 H new ATOM 0 HD23 LEU A 61 -13.903 8.710 -4.525 1.00 0.81 H new ATOM 179 N GLU A 62 -10.327 9.259 -3.371 1.00 0.33 N ATOM 180 CA GLU A 62 -9.398 9.610 -2.315 1.00 0.30 C ATOM 181 C GLU A 62 -8.205 8.676 -2.259 1.00 0.26 C ATOM 182 O GLU A 62 -7.071 9.135 -2.327 1.00 0.32 O ATOM 183 CB GLU A 62 -10.124 9.640 -0.976 1.00 0.41 C ATOM 184 CG GLU A 62 -10.693 11.003 -0.686 1.00 0.50 C ATOM 185 CD GLU A 62 -11.329 11.120 0.683 1.00 1.29 C ATOM 186 OE1 GLU A 62 -10.592 11.357 1.666 1.00 1.51 O ATOM 187 OE2 GLU A 62 -12.560 10.942 0.789 1.00 2.00 O ATOM 0 H GLU A 62 -11.278 9.082 -3.048 1.00 0.33 H new ATOM 0 HA GLU A 62 -9.007 10.603 -2.537 1.00 0.30 H new ATOM 0 HB2 GLU A 62 -10.927 8.903 -0.980 1.00 0.41 H new ATOM 0 HB3 GLU A 62 -9.435 9.356 -0.181 1.00 0.41 H new ATOM 0 HG2 GLU A 62 -9.898 11.744 -0.772 1.00 0.50 H new ATOM 0 HG3 GLU A 62 -11.438 11.245 -1.444 1.00 0.50 H new ATOM 194 N ASN A 63 -8.448 7.377 -2.171 1.00 0.24 N ATOM 195 CA ASN A 63 -7.348 6.420 -2.040 1.00 0.23 C ATOM 196 C ASN A 63 -6.601 6.246 -3.353 1.00 0.21 C ATOM 197 O ASN A 63 -5.461 5.785 -3.361 1.00 0.22 O ATOM 198 CB ASN A 63 -7.811 5.058 -1.505 1.00 0.33 C ATOM 199 CG ASN A 63 -8.910 4.410 -2.314 1.00 1.10 C ATOM 200 OD1 ASN A 63 -8.670 3.800 -3.356 1.00 2.24 O ATOM 201 ND2 ASN A 63 -10.118 4.493 -1.799 1.00 0.90 N ATOM 0 H ASN A 63 -9.379 6.961 -2.187 1.00 0.24 H new ATOM 0 HA ASN A 63 -6.664 6.844 -1.304 1.00 0.23 H new ATOM 0 HB2 ASN A 63 -6.955 4.384 -1.473 1.00 0.33 H new ATOM 0 HB3 ASN A 63 -8.157 5.183 -0.479 1.00 0.33 H new ATOM 0 HD21 ASN A 63 -10.904 4.040 -2.266 1.00 0.90 H new ATOM 0 HD22 ASN A 63 -10.269 5.010 -0.933 1.00 0.90 H new ATOM 208 N GLU A 64 -7.231 6.616 -4.459 1.00 0.23 N ATOM 209 CA GLU A 64 -6.559 6.624 -5.744 1.00 0.29 C ATOM 210 C GLU A 64 -5.424 7.637 -5.746 1.00 0.29 C ATOM 211 O GLU A 64 -4.276 7.301 -6.037 1.00 0.35 O ATOM 212 CB GLU A 64 -7.550 6.960 -6.852 1.00 0.38 C ATOM 213 CG GLU A 64 -8.608 5.902 -7.067 1.00 0.41 C ATOM 214 CD GLU A 64 -9.335 6.081 -8.379 1.00 0.56 C ATOM 215 OE1 GLU A 64 -8.689 5.991 -9.443 1.00 0.88 O ATOM 216 OE2 GLU A 64 -10.561 6.324 -8.354 1.00 0.69 O ATOM 0 H GLU A 64 -8.206 6.914 -4.489 1.00 0.23 H new ATOM 0 HA GLU A 64 -6.145 5.632 -5.922 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -8.038 7.906 -6.615 1.00 0.38 H new ATOM 0 HB3 GLU A 64 -7.003 7.108 -7.783 1.00 0.38 H new ATOM 0 HG2 GLU A 64 -8.144 4.916 -7.042 1.00 0.41 H new ATOM 0 HG3 GLU A 64 -9.326 5.937 -6.248 1.00 0.41 H new ATOM 223 N LYS A 65 -5.755 8.871 -5.391 1.00 0.27 N ATOM 224 CA LYS A 65 -4.767 9.936 -5.330 1.00 0.30 C ATOM 225 C LYS A 65 -3.869 9.735 -4.125 1.00 0.23 C ATOM 226 O LYS A 65 -2.692 10.081 -4.137 1.00 0.30 O ATOM 227 CB LYS A 65 -5.452 11.288 -5.239 1.00 0.39 C ATOM 228 CG LYS A 65 -6.559 11.465 -6.244 1.00 0.65 C ATOM 229 CD LYS A 65 -7.209 12.832 -6.128 1.00 1.23 C ATOM 230 CE LYS A 65 -8.259 13.044 -7.208 1.00 2.14 C ATOM 231 NZ LYS A 65 -7.677 12.993 -8.576 1.00 2.98 N ATOM 0 H LYS A 65 -6.701 9.158 -5.141 1.00 0.27 H new ATOM 0 HA LYS A 65 -4.165 9.908 -6.238 1.00 0.30 H new ATOM 0 HB2 LYS A 65 -5.858 11.415 -4.236 1.00 0.39 H new ATOM 0 HB3 LYS A 65 -4.710 12.074 -5.384 1.00 0.39 H new ATOM 0 HG2 LYS A 65 -6.161 11.335 -7.250 1.00 0.65 H new ATOM 0 HG3 LYS A 65 -7.312 10.690 -6.097 1.00 0.65 H new ATOM 0 HD2 LYS A 65 -7.670 12.934 -5.146 1.00 1.23 H new ATOM 0 HD3 LYS A 65 -6.446 13.606 -6.204 1.00 1.23 H new ATOM 0 HE2 LYS A 65 -9.032 12.281 -7.115 1.00 2.14 H new ATOM 0 HE3 LYS A 65 -8.743 14.009 -7.057 1.00 2.14 H new ATOM 0 HZ1 LYS A 65 -8.350 13.403 -9.255 1.00 2.98 H new ATOM 0 HZ2 LYS A 65 -6.790 13.536 -8.597 1.00 2.98 H new ATOM 0 HZ3 LYS A 65 -7.483 12.004 -8.834 1.00 2.98 H new ATOM 245 N LEU A 66 -4.453 9.180 -3.087 1.00 0.16 N ATOM 246 CA LEU A 66 -3.741 8.885 -1.860 1.00 0.15 C ATOM 247 C LEU A 66 -2.615 7.886 -2.076 1.00 0.15 C ATOM 248 O LEU A 66 -1.471 8.135 -1.696 1.00 0.18 O ATOM 249 CB LEU A 66 -4.726 8.330 -0.853 1.00 0.15 C ATOM 250 CG LEU A 66 -4.844 9.142 0.407 1.00 0.20 C ATOM 251 CD1 LEU A 66 -6.141 8.826 1.126 1.00 0.24 C ATOM 252 CD2 LEU A 66 -3.638 8.873 1.277 1.00 0.22 C ATOM 0 H LEU A 66 -5.439 8.919 -3.068 1.00 0.16 H new ATOM 0 HA LEU A 66 -3.289 9.808 -1.496 1.00 0.15 H new ATOM 0 HB2 LEU A 66 -5.708 8.262 -1.321 1.00 0.15 H new ATOM 0 HB3 LEU A 66 -4.427 7.315 -0.591 1.00 0.15 H new ATOM 0 HG LEU A 66 -4.868 10.204 0.164 1.00 0.20 H new ATOM 0 HD11 LEU A 66 -6.208 9.423 2.035 1.00 0.24 H new ATOM 0 HD12 LEU A 66 -6.984 9.060 0.475 1.00 0.24 H new ATOM 0 HD13 LEU A 66 -6.165 7.767 1.385 1.00 0.24 H new ATOM 0 HD21 LEU A 66 -3.713 9.457 2.194 1.00 0.22 H new ATOM 0 HD22 LEU A 66 -3.597 7.812 1.525 1.00 0.22 H new ATOM 0 HD23 LEU A 66 -2.732 9.155 0.740 1.00 0.22 H new ATOM 264 N PHE A 67 -2.953 6.746 -2.656 1.00 0.14 N ATOM 265 CA PHE A 67 -1.976 5.710 -2.924 1.00 0.15 C ATOM 266 C PHE A 67 -0.805 6.261 -3.732 1.00 0.17 C ATOM 267 O PHE A 67 0.354 5.954 -3.449 1.00 0.20 O ATOM 268 CB PHE A 67 -2.626 4.548 -3.671 1.00 0.15 C ATOM 269 CG PHE A 67 -1.972 3.241 -3.376 1.00 0.16 C ATOM 270 CD1 PHE A 67 -0.831 2.844 -4.045 1.00 0.17 C ATOM 271 CD2 PHE A 67 -2.502 2.417 -2.410 1.00 0.17 C ATOM 272 CE1 PHE A 67 -0.230 1.636 -3.752 1.00 0.19 C ATOM 273 CE2 PHE A 67 -1.911 1.210 -2.109 1.00 0.18 C ATOM 274 CZ PHE A 67 -0.771 0.816 -2.781 1.00 0.19 C ATOM 0 H PHE A 67 -3.902 6.516 -2.951 1.00 0.14 H new ATOM 0 HA PHE A 67 -1.595 5.349 -1.969 1.00 0.15 H new ATOM 0 HB2 PHE A 67 -3.681 4.492 -3.401 1.00 0.15 H new ATOM 0 HB3 PHE A 67 -2.581 4.739 -4.743 1.00 0.15 H new ATOM 0 HD1 PHE A 67 -0.405 3.484 -4.804 1.00 0.17 H new ATOM 0 HD2 PHE A 67 -3.393 2.721 -1.881 1.00 0.17 H new ATOM 0 HE1 PHE A 67 0.661 1.333 -4.281 1.00 0.19 H new ATOM 0 HE2 PHE A 67 -2.338 0.573 -1.349 1.00 0.18 H new ATOM 0 HZ PHE A 67 -0.304 -0.130 -2.548 1.00 0.19 H new ATOM 284 N GLU A 68 -1.104 7.088 -4.726 1.00 0.18 N ATOM 285 CA GLU A 68 -0.053 7.663 -5.549 1.00 0.23 C ATOM 286 C GLU A 68 0.740 8.734 -4.797 1.00 0.19 C ATOM 287 O GLU A 68 1.893 8.975 -5.140 1.00 0.24 O ATOM 288 CB GLU A 68 -0.589 8.205 -6.877 1.00 0.40 C ATOM 289 CG GLU A 68 -1.704 9.207 -6.729 1.00 0.54 C ATOM 290 CD GLU A 68 -2.056 9.893 -8.028 1.00 1.13 C ATOM 291 OE1 GLU A 68 -2.520 9.201 -8.959 1.00 1.39 O ATOM 292 OE2 GLU A 68 -1.888 11.125 -8.125 1.00 1.81 O ATOM 0 H GLU A 68 -2.051 7.371 -4.978 1.00 0.18 H new ATOM 0 HA GLU A 68 0.633 6.849 -5.784 1.00 0.23 H new ATOM 0 HB2 GLU A 68 0.231 8.669 -7.425 1.00 0.40 H new ATOM 0 HB3 GLU A 68 -0.944 7.370 -7.481 1.00 0.40 H new ATOM 0 HG2 GLU A 68 -2.588 8.703 -6.339 1.00 0.54 H new ATOM 0 HG3 GLU A 68 -1.415 9.958 -5.994 1.00 0.54 H new ATOM 299 N GLU A 69 0.152 9.364 -3.764 1.00 0.19 N ATOM 300 CA GLU A 69 0.917 10.301 -2.935 1.00 0.22 C ATOM 301 C GLU A 69 2.145 9.594 -2.402 1.00 0.20 C ATOM 302 O GLU A 69 3.276 10.070 -2.515 1.00 0.28 O ATOM 303 CB GLU A 69 0.110 10.805 -1.742 1.00 0.26 C ATOM 304 CG GLU A 69 -1.118 11.596 -2.109 1.00 0.34 C ATOM 305 CD GLU A 69 -1.713 12.313 -0.917 1.00 1.02 C ATOM 306 OE1 GLU A 69 -1.074 13.245 -0.390 1.00 1.31 O ATOM 307 OE2 GLU A 69 -2.831 11.943 -0.497 1.00 1.78 O ATOM 0 H GLU A 69 -0.824 9.244 -3.491 1.00 0.19 H new ATOM 0 HA GLU A 69 1.180 11.154 -3.560 1.00 0.22 H new ATOM 0 HB2 GLU A 69 -0.191 9.951 -1.136 1.00 0.26 H new ATOM 0 HB3 GLU A 69 0.754 11.426 -1.120 1.00 0.26 H new ATOM 0 HG2 GLU A 69 -0.862 12.324 -2.879 1.00 0.34 H new ATOM 0 HG3 GLU A 69 -1.864 10.927 -2.538 1.00 0.34 H new ATOM 314 N PHE A 70 1.881 8.432 -1.830 1.00 0.15 N ATOM 315 CA PHE A 70 2.902 7.556 -1.295 1.00 0.13 C ATOM 316 C PHE A 70 3.901 7.184 -2.374 1.00 0.13 C ATOM 317 O PHE A 70 5.109 7.284 -2.189 1.00 0.14 O ATOM 318 CB PHE A 70 2.225 6.297 -0.770 1.00 0.12 C ATOM 319 CG PHE A 70 3.093 5.459 0.112 1.00 0.11 C ATOM 320 CD1 PHE A 70 4.250 4.899 -0.375 1.00 0.11 C ATOM 321 CD2 PHE A 70 2.727 5.205 1.417 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.035 4.097 0.416 1.00 0.11 C ATOM 323 CE2 PHE A 70 3.510 4.408 2.225 1.00 0.11 C ATOM 324 CZ PHE A 70 4.667 3.849 1.721 1.00 0.11 C ATOM 0 H PHE A 70 0.934 8.067 -1.724 1.00 0.15 H new ATOM 0 HA PHE A 70 3.437 8.065 -0.493 1.00 0.13 H new ATOM 0 HB2 PHE A 70 1.331 6.583 -0.216 1.00 0.12 H new ATOM 0 HB3 PHE A 70 1.896 5.694 -1.617 1.00 0.12 H new ATOM 0 HD1 PHE A 70 4.546 5.093 -1.395 1.00 0.11 H new ATOM 0 HD2 PHE A 70 1.818 5.635 1.810 1.00 0.11 H new ATOM 0 HE1 PHE A 70 5.939 3.661 0.017 1.00 0.11 H new ATOM 0 HE2 PHE A 70 3.219 4.222 3.248 1.00 0.11 H new ATOM 0 HZ PHE A 70 5.282 3.219 2.347 1.00 0.11 H new ATOM 334 N LEU A 71 3.377 6.766 -3.503 1.00 0.14 N ATOM 335 CA LEU A 71 4.183 6.224 -4.565 1.00 0.15 C ATOM 336 C LEU A 71 5.057 7.250 -5.218 1.00 0.16 C ATOM 337 O LEU A 71 6.209 6.978 -5.511 1.00 0.18 O ATOM 338 CB LEU A 71 3.277 5.596 -5.580 1.00 0.17 C ATOM 339 CG LEU A 71 2.692 4.299 -5.086 1.00 0.18 C ATOM 340 CD1 LEU A 71 1.722 3.743 -6.086 1.00 0.22 C ATOM 341 CD2 LEU A 71 3.818 3.330 -4.806 1.00 0.16 C ATOM 0 H LEU A 71 2.378 6.794 -3.708 1.00 0.14 H new ATOM 0 HA LEU A 71 4.854 5.482 -4.132 1.00 0.15 H new ATOM 0 HB2 LEU A 71 2.471 6.288 -5.824 1.00 0.17 H new ATOM 0 HB3 LEU A 71 3.833 5.416 -6.500 1.00 0.17 H new ATOM 0 HG LEU A 71 2.137 4.471 -4.163 1.00 0.18 H new ATOM 0 HD11 LEU A 71 1.310 2.806 -5.711 1.00 0.22 H new ATOM 0 HD12 LEU A 71 0.914 4.457 -6.245 1.00 0.22 H new ATOM 0 HD13 LEU A 71 2.236 3.561 -7.030 1.00 0.22 H new ATOM 0 HD21 LEU A 71 3.406 2.387 -4.447 1.00 0.16 H new ATOM 0 HD22 LEU A 71 4.383 3.154 -5.721 1.00 0.16 H new ATOM 0 HD23 LEU A 71 4.478 3.749 -4.047 1.00 0.16 H new ATOM 353 N GLU A 72 4.514 8.414 -5.466 1.00 0.16 N ATOM 354 CA GLU A 72 5.273 9.453 -6.109 1.00 0.19 C ATOM 355 C GLU A 72 6.314 9.998 -5.149 1.00 0.18 C ATOM 356 O GLU A 72 7.379 10.456 -5.559 1.00 0.21 O ATOM 357 CB GLU A 72 4.354 10.502 -6.695 1.00 0.24 C ATOM 358 CG GLU A 72 3.349 9.855 -7.626 1.00 0.29 C ATOM 359 CD GLU A 72 2.427 10.845 -8.298 1.00 0.73 C ATOM 360 OE1 GLU A 72 1.695 11.563 -7.597 1.00 1.21 O ATOM 361 OE2 GLU A 72 2.452 10.921 -9.544 1.00 1.17 O ATOM 0 H GLU A 72 3.553 8.665 -5.233 1.00 0.16 H new ATOM 0 HA GLU A 72 5.824 9.048 -6.958 1.00 0.19 H new ATOM 0 HB2 GLU A 72 3.833 11.028 -5.895 1.00 0.24 H new ATOM 0 HB3 GLU A 72 4.938 11.245 -7.238 1.00 0.24 H new ATOM 0 HG2 GLU A 72 3.884 9.292 -8.391 1.00 0.29 H new ATOM 0 HG3 GLU A 72 2.751 9.139 -7.062 1.00 0.29 H new ATOM 368 N LEU A 73 6.001 9.928 -3.862 1.00 0.16 N ATOM 369 CA LEU A 73 7.002 10.097 -2.832 1.00 0.16 C ATOM 370 C LEU A 73 8.049 8.993 -2.964 1.00 0.15 C ATOM 371 O LEU A 73 9.249 9.255 -2.940 1.00 0.18 O ATOM 372 CB LEU A 73 6.341 10.023 -1.458 1.00 0.16 C ATOM 373 CG LEU A 73 7.288 9.749 -0.297 1.00 0.16 C ATOM 374 CD1 LEU A 73 7.610 11.027 0.453 1.00 0.23 C ATOM 375 CD2 LEU A 73 6.682 8.707 0.621 1.00 0.16 C ATOM 0 H LEU A 73 5.059 9.755 -3.512 1.00 0.16 H new ATOM 0 HA LEU A 73 7.483 11.069 -2.943 1.00 0.16 H new ATOM 0 HB2 LEU A 73 5.824 10.964 -1.270 1.00 0.16 H new ATOM 0 HB3 LEU A 73 5.582 9.241 -1.479 1.00 0.16 H new ATOM 0 HG LEU A 73 8.228 9.360 -0.690 1.00 0.16 H new ATOM 0 HD11 LEU A 73 8.288 10.804 1.277 1.00 0.23 H new ATOM 0 HD12 LEU A 73 8.084 11.737 -0.225 1.00 0.23 H new ATOM 0 HD13 LEU A 73 6.690 11.460 0.847 1.00 0.23 H new ATOM 0 HD21 LEU A 73 7.362 8.513 1.451 1.00 0.16 H new ATOM 0 HD22 LEU A 73 5.731 9.073 1.009 1.00 0.16 H new ATOM 0 HD23 LEU A 73 6.516 7.784 0.065 1.00 0.16 H new ATOM 387 N CYS A 74 7.576 7.757 -3.131 1.00 0.13 N ATOM 388 CA CYS A 74 8.445 6.600 -3.252 1.00 0.13 C ATOM 389 C CYS A 74 9.327 6.716 -4.500 1.00 0.15 C ATOM 390 O CYS A 74 10.446 6.210 -4.524 1.00 0.18 O ATOM 391 CB CYS A 74 7.592 5.332 -3.303 1.00 0.16 C ATOM 392 SG CYS A 74 8.411 3.852 -2.680 1.00 0.50 S ATOM 0 H CYS A 74 6.582 7.537 -3.185 1.00 0.13 H new ATOM 0 HA CYS A 74 9.104 6.551 -2.385 1.00 0.13 H new ATOM 0 HB2 CYS A 74 6.682 5.498 -2.726 1.00 0.16 H new ATOM 0 HB3 CYS A 74 7.287 5.156 -4.335 1.00 0.16 H new ATOM 0 HG CYS A 74 9.512 3.655 -3.342 1.00 0.50 H new ATOM 398 N LYS A 75 8.821 7.404 -5.528 1.00 0.18 N ATOM 399 CA LYS A 75 9.602 7.689 -6.733 1.00 0.22 C ATOM 400 C LYS A 75 10.871 8.465 -6.387 1.00 0.22 C ATOM 401 O LYS A 75 11.876 8.381 -7.090 1.00 0.26 O ATOM 402 CB LYS A 75 8.797 8.502 -7.743 1.00 0.28 C ATOM 403 CG LYS A 75 8.017 7.667 -8.748 1.00 0.57 C ATOM 404 CD LYS A 75 6.573 7.464 -8.318 1.00 0.61 C ATOM 405 CE LYS A 75 5.636 7.386 -9.499 1.00 0.38 C ATOM 406 NZ LYS A 75 4.218 7.183 -9.098 1.00 0.96 N ATOM 0 H LYS A 75 7.871 7.774 -5.548 1.00 0.18 H new ATOM 0 HA LYS A 75 9.863 6.727 -7.174 1.00 0.22 H new ATOM 0 HB2 LYS A 75 8.099 9.141 -7.202 1.00 0.28 H new ATOM 0 HB3 LYS A 75 9.477 9.159 -8.286 1.00 0.28 H new ATOM 0 HG2 LYS A 75 8.040 8.156 -9.722 1.00 0.57 H new ATOM 0 HG3 LYS A 75 8.500 6.697 -8.867 1.00 0.57 H new ATOM 0 HD2 LYS A 75 6.495 6.548 -7.732 1.00 0.61 H new ATOM 0 HD3 LYS A 75 6.270 8.285 -7.668 1.00 0.61 H new ATOM 0 HE2 LYS A 75 5.716 8.304 -10.082 1.00 0.38 H new ATOM 0 HE3 LYS A 75 5.946 6.568 -10.149 1.00 0.38 H new ATOM 0 HZ1 LYS A 75 3.901 6.242 -9.408 1.00 0.96 H new ATOM 0 HZ2 LYS A 75 4.136 7.253 -8.064 1.00 0.96 H new ATOM 0 HZ3 LYS A 75 3.624 7.912 -9.542 1.00 0.96 H new ATOM 420 N MET A 76 10.817 9.211 -5.291 1.00 0.22 N ATOM 421 CA MET A 76 11.916 10.075 -4.899 1.00 0.26 C ATOM 422 C MET A 76 12.820 9.333 -3.936 1.00 0.25 C ATOM 423 O MET A 76 14.042 9.472 -3.962 1.00 0.32 O ATOM 424 CB MET A 76 11.398 11.341 -4.208 1.00 0.29 C ATOM 425 CG MET A 76 10.137 11.925 -4.815 1.00 0.27 C ATOM 426 SD MET A 76 9.631 13.462 -4.016 1.00 0.32 S ATOM 427 CE MET A 76 9.446 12.926 -2.318 1.00 0.35 C ATOM 0 H MET A 76 10.018 9.233 -4.657 1.00 0.22 H new ATOM 0 HA MET A 76 12.464 10.360 -5.797 1.00 0.26 H new ATOM 0 HB2 MET A 76 11.208 11.114 -3.159 1.00 0.29 H new ATOM 0 HB3 MET A 76 12.181 12.098 -4.233 1.00 0.29 H new ATOM 0 HG2 MET A 76 10.300 12.108 -5.877 1.00 0.27 H new ATOM 0 HG3 MET A 76 9.330 11.197 -4.738 1.00 0.27 H new ATOM 0 HE1 MET A 76 8.547 13.371 -1.892 1.00 0.35 H new ATOM 0 HE2 MET A 76 9.364 11.840 -2.286 1.00 0.35 H new ATOM 0 HE3 MET A 76 10.315 13.241 -1.740 1.00 0.35 H new ATOM 437 N GLN A 77 12.190 8.530 -3.096 1.00 0.21 N ATOM 438 CA GLN A 77 12.874 7.837 -2.023 1.00 0.22 C ATOM 439 C GLN A 77 13.544 6.576 -2.543 1.00 0.21 C ATOM 440 O GLN A 77 14.763 6.425 -2.473 1.00 0.24 O ATOM 441 CB GLN A 77 11.860 7.451 -0.951 1.00 0.23 C ATOM 442 CG GLN A 77 10.918 8.568 -0.528 1.00 0.30 C ATOM 443 CD GLN A 77 11.563 9.627 0.338 1.00 0.52 C ATOM 444 OE1 GLN A 77 12.752 9.917 0.228 1.00 0.98 O ATOM 445 NE2 GLN A 77 10.761 10.205 1.214 1.00 0.48 N ATOM 0 H GLN A 77 11.189 8.341 -3.141 1.00 0.21 H new ATOM 0 HA GLN A 77 13.635 8.498 -1.608 1.00 0.22 H new ATOM 0 HB2 GLN A 77 11.266 6.614 -1.318 1.00 0.23 H new ATOM 0 HB3 GLN A 77 12.399 7.098 -0.072 1.00 0.23 H new ATOM 0 HG2 GLN A 77 10.511 9.043 -1.421 1.00 0.30 H new ATOM 0 HG3 GLN A 77 10.077 8.134 0.013 1.00 0.30 H new ATOM 0 HE21 GLN A 77 9.780 9.929 1.267 1.00 0.48 H new ATOM 0 HE22 GLN A 77 11.122 10.927 1.837 1.00 0.48 H new ATOM 454 N THR A 78 12.736 5.681 -3.092 1.00 0.18 N ATOM 455 CA THR A 78 13.231 4.433 -3.630 1.00 0.20 C ATOM 456 C THR A 78 13.633 4.622 -5.083 1.00 0.22 C ATOM 457 O THR A 78 13.362 3.791 -5.938 1.00 0.24 O ATOM 458 CB THR A 78 12.172 3.319 -3.509 1.00 0.20 C ATOM 459 OG1 THR A 78 11.009 3.636 -4.288 1.00 0.56 O ATOM 460 CG2 THR A 78 11.767 3.144 -2.057 1.00 0.42 C ATOM 0 H THR A 78 11.727 5.802 -3.174 1.00 0.18 H new ATOM 0 HA THR A 78 14.104 4.131 -3.052 1.00 0.20 H new ATOM 0 HB THR A 78 12.608 2.393 -3.884 1.00 0.20 H new ATOM 0 HG1 THR A 78 11.042 4.578 -4.556 1.00 0.56 H new ATOM 0 HG21 THR A 78 11.019 2.355 -1.981 1.00 0.42 H new ATOM 0 HG22 THR A 78 12.642 2.873 -1.465 1.00 0.42 H new ATOM 0 HG23 THR A 78 11.350 4.078 -1.681 1.00 0.42 H new ATOM 468 N ALA A 79 14.288 5.740 -5.346 1.00 0.25 N ATOM 469 CA ALA A 79 14.735 6.075 -6.685 1.00 0.30 C ATOM 470 C ALA A 79 15.825 5.112 -7.137 1.00 0.34 C ATOM 471 O ALA A 79 16.051 4.915 -8.332 1.00 0.42 O ATOM 472 CB ALA A 79 15.228 7.504 -6.705 1.00 0.32 C ATOM 0 H ALA A 79 14.524 6.438 -4.640 1.00 0.25 H new ATOM 0 HA ALA A 79 13.902 5.982 -7.381 1.00 0.30 H new ATOM 0 HB1 ALA A 79 15.565 7.759 -7.710 1.00 0.32 H new ATOM 0 HB2 ALA A 79 14.418 8.172 -6.413 1.00 0.32 H new ATOM 0 HB3 ALA A 79 16.057 7.613 -6.006 1.00 0.32 H new ATOM 478 N ASP A 80 16.493 4.516 -6.157 1.00 0.35 N ATOM 479 CA ASP A 80 17.508 3.498 -6.403 1.00 0.44 C ATOM 480 C ASP A 80 16.850 2.159 -6.715 1.00 0.38 C ATOM 481 O ASP A 80 17.448 1.285 -7.341 1.00 0.44 O ATOM 482 CB ASP A 80 18.415 3.366 -5.174 1.00 0.59 C ATOM 483 CG ASP A 80 19.392 2.209 -5.276 1.00 1.31 C ATOM 484 OD1 ASP A 80 20.450 2.375 -5.915 1.00 1.68 O ATOM 485 OD2 ASP A 80 19.096 1.128 -4.733 1.00 2.29 O ATOM 0 H ASP A 80 16.347 4.724 -5.169 1.00 0.35 H new ATOM 0 HA ASP A 80 18.109 3.797 -7.262 1.00 0.44 H new ATOM 0 HB2 ASP A 80 18.972 4.293 -5.040 1.00 0.59 H new ATOM 0 HB3 ASP A 80 17.797 3.234 -4.286 1.00 0.59 H new ATOM 490 N HIS A 81 15.601 2.018 -6.300 1.00 0.35 N ATOM 491 CA HIS A 81 14.871 0.773 -6.479 1.00 0.39 C ATOM 492 C HIS A 81 13.462 1.034 -6.978 1.00 0.34 C ATOM 493 O HIS A 81 12.499 0.985 -6.213 1.00 0.30 O ATOM 494 CB HIS A 81 14.829 -0.035 -5.183 1.00 0.49 C ATOM 495 CG HIS A 81 15.924 -1.046 -5.095 1.00 0.86 C ATOM 496 ND1 HIS A 81 15.982 -2.142 -5.923 1.00 2.02 N ATOM 497 CD2 HIS A 81 17.005 -1.130 -4.285 1.00 0.60 C ATOM 498 CE1 HIS A 81 17.047 -2.857 -5.632 1.00 2.11 C ATOM 499 NE2 HIS A 81 17.686 -2.267 -4.641 1.00 1.12 N ATOM 0 H HIS A 81 15.070 2.754 -5.835 1.00 0.35 H new ATOM 0 HA HIS A 81 15.402 0.189 -7.231 1.00 0.39 H new ATOM 0 HB2 HIS A 81 14.900 0.645 -4.334 1.00 0.49 H new ATOM 0 HB3 HIS A 81 13.867 -0.541 -5.107 1.00 0.49 H new ATOM 0 HD1 HIS A 81 15.304 -2.366 -6.651 1.00 2.02 H new ATOM 0 HD2 HIS A 81 17.280 -0.434 -3.506 1.00 0.60 H new ATOM 0 HE1 HIS A 81 17.347 -3.772 -6.122 1.00 2.11 H new ATOM 508 N PRO A 82 13.323 1.299 -8.283 1.00 0.39 N ATOM 509 CA PRO A 82 12.031 1.580 -8.908 1.00 0.39 C ATOM 510 C PRO A 82 11.144 0.341 -9.051 1.00 0.35 C ATOM 511 O PRO A 82 10.260 0.309 -9.902 1.00 0.39 O ATOM 512 CB PRO A 82 12.426 2.108 -10.284 1.00 0.50 C ATOM 513 CG PRO A 82 13.721 1.449 -10.575 1.00 0.53 C ATOM 514 CD PRO A 82 14.424 1.360 -9.258 1.00 0.48 C ATOM 0 HA PRO A 82 11.438 2.271 -8.309 1.00 0.39 H new ATOM 0 HB2 PRO A 82 11.676 1.859 -11.035 1.00 0.50 H new ATOM 0 HB3 PRO A 82 12.525 3.193 -10.280 1.00 0.50 H new ATOM 0 HG2 PRO A 82 13.570 0.460 -11.008 1.00 0.53 H new ATOM 0 HG3 PRO A 82 14.303 2.026 -11.293 1.00 0.53 H new ATOM 0 HD2 PRO A 82 15.059 0.476 -9.201 1.00 0.48 H new ATOM 0 HD3 PRO A 82 15.065 2.225 -9.086 1.00 0.48 H new ATOM 522 N GLU A 83 11.395 -0.686 -8.245 1.00 0.29 N ATOM 523 CA GLU A 83 10.520 -1.849 -8.206 1.00 0.26 C ATOM 524 C GLU A 83 9.415 -1.633 -7.175 1.00 0.19 C ATOM 525 O GLU A 83 8.305 -2.134 -7.329 1.00 0.22 O ATOM 526 CB GLU A 83 11.293 -3.131 -7.872 1.00 0.33 C ATOM 527 CG GLU A 83 12.474 -3.401 -8.793 1.00 0.49 C ATOM 528 CD GLU A 83 13.786 -2.908 -8.217 1.00 1.32 C ATOM 529 OE1 GLU A 83 13.775 -1.941 -7.425 1.00 2.05 O ATOM 530 OE2 GLU A 83 14.838 -3.469 -8.567 1.00 1.72 O ATOM 0 H GLU A 83 12.194 -0.735 -7.613 1.00 0.29 H new ATOM 0 HA GLU A 83 10.084 -1.969 -9.198 1.00 0.26 H new ATOM 0 HB2 GLU A 83 11.653 -3.068 -6.845 1.00 0.33 H new ATOM 0 HB3 GLU A 83 10.608 -3.978 -7.918 1.00 0.33 H new ATOM 0 HG2 GLU A 83 12.544 -4.472 -8.983 1.00 0.49 H new ATOM 0 HG3 GLU A 83 12.299 -2.917 -9.754 1.00 0.49 H new ATOM 537 N VAL A 84 9.736 -0.867 -6.132 1.00 0.15 N ATOM 538 CA VAL A 84 8.812 -0.605 -5.025 1.00 0.11 C ATOM 539 C VAL A 84 7.480 -0.029 -5.508 1.00 0.11 C ATOM 540 O VAL A 84 6.410 -0.576 -5.238 1.00 0.13 O ATOM 541 CB VAL A 84 9.407 0.435 -4.061 1.00 0.11 C ATOM 542 CG1 VAL A 84 8.540 0.537 -2.834 1.00 0.13 C ATOM 543 CG2 VAL A 84 10.847 0.118 -3.693 1.00 0.14 C ATOM 0 H VAL A 84 10.642 -0.411 -6.030 1.00 0.15 H new ATOM 0 HA VAL A 84 8.651 -1.566 -4.537 1.00 0.11 H new ATOM 0 HB VAL A 84 9.425 1.399 -4.569 1.00 0.11 H new ATOM 0 HG11 VAL A 84 8.962 1.274 -2.151 1.00 0.13 H new ATOM 0 HG12 VAL A 84 7.535 0.844 -3.123 1.00 0.13 H new ATOM 0 HG13 VAL A 84 8.495 -0.433 -2.339 1.00 0.13 H new ATOM 0 HG21 VAL A 84 11.224 0.880 -3.011 1.00 0.14 H new ATOM 0 HG22 VAL A 84 10.892 -0.857 -3.209 1.00 0.14 H new ATOM 0 HG23 VAL A 84 11.458 0.104 -4.595 1.00 0.14 H new ATOM 553 N VAL A 85 7.576 1.087 -6.211 1.00 0.11 N ATOM 554 CA VAL A 85 6.411 1.831 -6.688 1.00 0.13 C ATOM 555 C VAL A 85 5.497 0.963 -7.565 1.00 0.15 C ATOM 556 O VAL A 85 4.315 0.815 -7.258 1.00 0.16 O ATOM 557 CB VAL A 85 6.855 3.101 -7.452 1.00 0.15 C ATOM 558 CG1 VAL A 85 5.677 3.995 -7.774 1.00 0.18 C ATOM 559 CG2 VAL A 85 7.893 3.859 -6.647 1.00 0.15 C ATOM 0 H VAL A 85 8.468 1.509 -6.471 1.00 0.11 H new ATOM 0 HA VAL A 85 5.833 2.131 -5.814 1.00 0.13 H new ATOM 0 HB VAL A 85 7.298 2.787 -8.397 1.00 0.15 H new ATOM 0 HG11 VAL A 85 6.026 4.877 -8.311 1.00 0.18 H new ATOM 0 HG12 VAL A 85 4.966 3.450 -8.395 1.00 0.18 H new ATOM 0 HG13 VAL A 85 5.190 4.302 -6.849 1.00 0.18 H new ATOM 0 HG21 VAL A 85 8.198 4.751 -7.195 1.00 0.15 H new ATOM 0 HG22 VAL A 85 7.467 4.151 -5.687 1.00 0.15 H new ATOM 0 HG23 VAL A 85 8.761 3.221 -6.480 1.00 0.15 H new ATOM 569 N PRO A 86 6.015 0.371 -8.663 1.00 0.17 N ATOM 570 CA PRO A 86 5.226 -0.533 -9.509 1.00 0.20 C ATOM 571 C PRO A 86 4.683 -1.729 -8.732 1.00 0.18 C ATOM 572 O PRO A 86 3.599 -2.222 -9.027 1.00 0.20 O ATOM 573 CB PRO A 86 6.214 -1.005 -10.578 1.00 0.23 C ATOM 574 CG PRO A 86 7.285 0.026 -10.595 1.00 0.22 C ATOM 575 CD PRO A 86 7.377 0.553 -9.190 1.00 0.17 C ATOM 0 HA PRO A 86 4.351 -0.029 -9.918 1.00 0.20 H new ATOM 0 HB2 PRO A 86 6.617 -1.989 -10.336 1.00 0.23 H new ATOM 0 HB3 PRO A 86 5.731 -1.089 -11.552 1.00 0.23 H new ATOM 0 HG2 PRO A 86 8.235 -0.404 -10.913 1.00 0.22 H new ATOM 0 HG3 PRO A 86 7.046 0.825 -11.296 1.00 0.22 H new ATOM 0 HD2 PRO A 86 8.111 0.002 -8.602 1.00 0.17 H new ATOM 0 HD3 PRO A 86 7.677 1.601 -9.174 1.00 0.17 H new ATOM 583 N PHE A 87 5.442 -2.185 -7.739 1.00 0.16 N ATOM 584 CA PHE A 87 5.008 -3.279 -6.877 1.00 0.15 C ATOM 585 C PHE A 87 3.734 -2.880 -6.139 1.00 0.14 C ATOM 586 O PHE A 87 2.724 -3.585 -6.195 1.00 0.16 O ATOM 587 CB PHE A 87 6.116 -3.634 -5.886 1.00 0.17 C ATOM 588 CG PHE A 87 5.852 -4.853 -5.054 1.00 0.21 C ATOM 589 CD1 PHE A 87 4.784 -5.663 -5.363 1.00 0.44 C ATOM 590 CD2 PHE A 87 6.652 -5.185 -3.974 1.00 0.21 C ATOM 591 CE1 PHE A 87 4.510 -6.789 -4.618 1.00 0.52 C ATOM 592 CE2 PHE A 87 6.387 -6.310 -3.223 1.00 0.25 C ATOM 593 CZ PHE A 87 5.416 -7.099 -3.488 1.00 0.38 C ATOM 0 H PHE A 87 6.364 -1.812 -7.511 1.00 0.16 H new ATOM 0 HA PHE A 87 4.797 -4.157 -7.487 1.00 0.15 H new ATOM 0 HB2 PHE A 87 7.044 -3.783 -6.439 1.00 0.17 H new ATOM 0 HB3 PHE A 87 6.274 -2.785 -5.221 1.00 0.17 H new ATOM 0 HD1 PHE A 87 4.151 -5.413 -6.202 1.00 0.44 H new ATOM 0 HD2 PHE A 87 7.492 -4.556 -3.717 1.00 0.21 H new ATOM 0 HE1 PHE A 87 3.666 -7.422 -4.849 1.00 0.52 H new ATOM 0 HE2 PHE A 87 7.023 -6.534 -2.379 1.00 0.25 H new ATOM 0 HZ PHE A 87 5.258 -7.985 -2.892 1.00 0.38 H new ATOM 603 N LEU A 88 3.782 -1.735 -5.470 1.00 0.12 N ATOM 604 CA LEU A 88 2.624 -1.219 -4.755 1.00 0.13 C ATOM 605 C LEU A 88 1.466 -0.969 -5.711 1.00 0.14 C ATOM 606 O LEU A 88 0.312 -1.258 -5.389 1.00 0.16 O ATOM 607 CB LEU A 88 2.970 0.072 -4.018 1.00 0.13 C ATOM 608 CG LEU A 88 4.010 -0.062 -2.913 1.00 0.12 C ATOM 609 CD1 LEU A 88 4.020 1.197 -2.061 1.00 0.16 C ATOM 610 CD2 LEU A 88 3.724 -1.295 -2.071 1.00 0.20 C ATOM 0 H LEU A 88 4.612 -1.146 -5.408 1.00 0.12 H new ATOM 0 HA LEU A 88 2.324 -1.971 -4.025 1.00 0.13 H new ATOM 0 HB2 LEU A 88 3.330 0.800 -4.745 1.00 0.13 H new ATOM 0 HB3 LEU A 88 2.056 0.479 -3.585 1.00 0.13 H new ATOM 0 HG LEU A 88 4.998 -0.182 -3.358 1.00 0.12 H new ATOM 0 HD11 LEU A 88 4.765 1.096 -1.272 1.00 0.16 H new ATOM 0 HD12 LEU A 88 4.265 2.057 -2.685 1.00 0.16 H new ATOM 0 HD13 LEU A 88 3.036 1.342 -1.614 1.00 0.16 H new ATOM 0 HD21 LEU A 88 4.474 -1.380 -1.284 1.00 0.20 H new ATOM 0 HD22 LEU A 88 2.735 -1.207 -1.621 1.00 0.20 H new ATOM 0 HD23 LEU A 88 3.758 -2.183 -2.703 1.00 0.20 H new ATOM 622 N TYR A 89 1.782 -0.440 -6.890 1.00 0.16 N ATOM 623 CA TYR A 89 0.768 -0.211 -7.916 1.00 0.20 C ATOM 624 C TYR A 89 0.098 -1.524 -8.277 1.00 0.21 C ATOM 625 O TYR A 89 -1.126 -1.649 -8.262 1.00 0.25 O ATOM 626 CB TYR A 89 1.380 0.383 -9.193 1.00 0.22 C ATOM 627 CG TYR A 89 1.428 1.891 -9.244 1.00 0.26 C ATOM 628 CD1 TYR A 89 0.261 2.643 -9.306 1.00 0.34 C ATOM 629 CD2 TYR A 89 2.640 2.562 -9.253 1.00 0.28 C ATOM 630 CE1 TYR A 89 0.306 4.024 -9.370 1.00 0.42 C ATOM 631 CE2 TYR A 89 2.692 3.940 -9.320 1.00 0.37 C ATOM 632 CZ TYR A 89 1.525 4.667 -9.375 1.00 0.43 C ATOM 633 OH TYR A 89 1.579 6.043 -9.440 1.00 0.54 O ATOM 0 H TYR A 89 2.726 -0.163 -7.158 1.00 0.16 H new ATOM 0 HA TYR A 89 0.044 0.495 -7.508 1.00 0.20 H new ATOM 0 HB2 TYR A 89 2.395 -0.000 -9.302 1.00 0.22 H new ATOM 0 HB3 TYR A 89 0.810 0.025 -10.050 1.00 0.22 H new ATOM 0 HD1 TYR A 89 -0.696 2.142 -9.304 1.00 0.34 H new ATOM 0 HD2 TYR A 89 3.560 1.998 -9.207 1.00 0.28 H new ATOM 0 HE1 TYR A 89 -0.609 4.595 -9.416 1.00 0.42 H new ATOM 0 HE2 TYR A 89 3.646 4.446 -9.329 1.00 0.37 H new ATOM 0 HH TYR A 89 0.782 6.422 -9.014 1.00 0.54 H new ATOM 643 N ASN A 90 0.936 -2.508 -8.565 1.00 0.19 N ATOM 644 CA ASN A 90 0.496 -3.815 -9.009 1.00 0.23 C ATOM 645 C ASN A 90 -0.371 -4.488 -7.962 1.00 0.22 C ATOM 646 O ASN A 90 -1.462 -4.962 -8.263 1.00 0.27 O ATOM 647 CB ASN A 90 1.707 -4.683 -9.307 1.00 0.27 C ATOM 648 CG ASN A 90 1.334 -5.945 -10.045 1.00 0.48 C ATOM 649 OD1 ASN A 90 1.314 -5.979 -11.276 1.00 1.33 O ATOM 650 ND2 ASN A 90 1.036 -6.991 -9.303 1.00 0.67 N ATOM 0 H ASN A 90 1.950 -2.417 -8.495 1.00 0.19 H new ATOM 0 HA ASN A 90 -0.101 -3.688 -9.912 1.00 0.23 H new ATOM 0 HB2 ASN A 90 2.422 -4.114 -9.901 1.00 0.27 H new ATOM 0 HB3 ASN A 90 2.204 -4.944 -8.373 1.00 0.27 H new ATOM 0 HD21 ASN A 90 0.776 -7.873 -9.745 1.00 0.67 H new ATOM 0 HD22 ASN A 90 1.065 -6.920 -8.286 1.00 0.67 H new ATOM 657 N ARG A 91 0.118 -4.518 -6.735 1.00 0.19 N ATOM 658 CA ARG A 91 -0.593 -5.167 -5.644 1.00 0.20 C ATOM 659 C ARG A 91 -1.957 -4.518 -5.412 1.00 0.20 C ATOM 660 O ARG A 91 -2.913 -5.198 -5.045 1.00 0.22 O ATOM 661 CB ARG A 91 0.262 -5.138 -4.375 1.00 0.22 C ATOM 662 CG ARG A 91 -0.399 -5.756 -3.150 1.00 0.26 C ATOM 663 CD ARG A 91 -0.836 -7.194 -3.386 1.00 0.36 C ATOM 664 NE ARG A 91 0.270 -8.053 -3.820 1.00 0.80 N ATOM 665 CZ ARG A 91 0.624 -9.184 -3.196 1.00 0.73 C ATOM 666 NH1 ARG A 91 0.011 -9.544 -2.079 1.00 1.38 N ATOM 667 NH2 ARG A 91 1.608 -9.936 -3.669 1.00 1.25 N ATOM 0 H ARG A 91 1.008 -4.099 -6.467 1.00 0.19 H new ATOM 0 HA ARG A 91 -0.774 -6.207 -5.914 1.00 0.20 H new ATOM 0 HB2 ARG A 91 1.197 -5.663 -4.571 1.00 0.22 H new ATOM 0 HB3 ARG A 91 0.519 -4.103 -4.150 1.00 0.22 H new ATOM 0 HG2 ARG A 91 0.296 -5.724 -2.311 1.00 0.26 H new ATOM 0 HG3 ARG A 91 -1.266 -5.158 -2.868 1.00 0.26 H new ATOM 0 HD2 ARG A 91 -1.265 -7.595 -2.468 1.00 0.36 H new ATOM 0 HD3 ARG A 91 -1.623 -7.212 -4.140 1.00 0.36 H new ATOM 0 HE ARG A 91 0.801 -7.773 -4.645 1.00 0.80 H new ATOM 0 HH11 ARG A 91 -0.731 -8.960 -1.693 1.00 1.38 H new ATOM 0 HH12 ARG A 91 0.281 -10.405 -1.604 1.00 1.38 H new ATOM 0 HH21 ARG A 91 2.103 -9.655 -4.515 1.00 1.25 H new ATOM 0 HH22 ARG A 91 1.870 -10.796 -3.186 1.00 1.25 H new ATOM 681 N GLN A 92 -2.051 -3.211 -5.645 1.00 0.19 N ATOM 682 CA GLN A 92 -3.326 -2.511 -5.517 1.00 0.21 C ATOM 683 C GLN A 92 -4.265 -2.934 -6.638 1.00 0.24 C ATOM 684 O GLN A 92 -5.472 -3.043 -6.449 1.00 0.26 O ATOM 685 CB GLN A 92 -3.137 -0.994 -5.545 1.00 0.23 C ATOM 686 CG GLN A 92 -4.420 -0.231 -5.248 1.00 0.34 C ATOM 687 CD GLN A 92 -4.310 1.257 -5.513 1.00 0.45 C ATOM 688 OE1 GLN A 92 -3.567 1.694 -6.390 1.00 0.71 O ATOM 689 NE2 GLN A 92 -5.062 2.048 -4.762 1.00 0.78 N ATOM 0 H GLN A 92 -1.267 -2.620 -5.921 1.00 0.19 H new ATOM 0 HA GLN A 92 -3.760 -2.780 -4.554 1.00 0.21 H new ATOM 0 HB2 GLN A 92 -2.377 -0.714 -4.816 1.00 0.23 H new ATOM 0 HB3 GLN A 92 -2.763 -0.698 -6.525 1.00 0.23 H new ATOM 0 HG2 GLN A 92 -5.227 -0.642 -5.855 1.00 0.34 H new ATOM 0 HG3 GLN A 92 -4.694 -0.388 -4.205 1.00 0.34 H new ATOM 0 HE21 GLN A 92 -5.666 1.647 -4.044 1.00 0.78 H new ATOM 0 HE22 GLN A 92 -5.037 3.058 -4.901 1.00 0.78 H new ATOM 698 N GLN A 93 -3.690 -3.180 -7.808 1.00 0.26 N ATOM 699 CA GLN A 93 -4.462 -3.610 -8.969 1.00 0.32 C ATOM 700 C GLN A 93 -4.911 -5.051 -8.781 1.00 0.34 C ATOM 701 O GLN A 93 -5.907 -5.490 -9.356 1.00 0.40 O ATOM 702 CB GLN A 93 -3.638 -3.506 -10.261 1.00 0.36 C ATOM 703 CG GLN A 93 -3.027 -2.142 -10.517 1.00 0.38 C ATOM 704 CD GLN A 93 -4.023 -1.021 -10.390 1.00 0.44 C ATOM 705 OE1 GLN A 93 -4.692 -0.642 -11.350 1.00 0.71 O ATOM 706 NE2 GLN A 93 -4.115 -0.477 -9.198 1.00 0.57 N ATOM 0 H GLN A 93 -2.689 -3.089 -7.979 1.00 0.26 H new ATOM 0 HA GLN A 93 -5.327 -2.953 -9.057 1.00 0.32 H new ATOM 0 HB2 GLN A 93 -2.838 -4.246 -10.226 1.00 0.36 H new ATOM 0 HB3 GLN A 93 -4.277 -3.767 -11.105 1.00 0.36 H new ATOM 0 HG2 GLN A 93 -2.211 -1.977 -9.814 1.00 0.38 H new ATOM 0 HG3 GLN A 93 -2.594 -2.125 -11.517 1.00 0.38 H new ATOM 0 HE21 GLN A 93 -3.539 -0.826 -8.432 1.00 0.57 H new ATOM 0 HE22 GLN A 93 -4.763 0.295 -9.038 1.00 0.57 H new ATOM 715 N ARG A 94 -4.152 -5.783 -7.978 1.00 0.33 N ATOM 716 CA ARG A 94 -4.464 -7.169 -7.683 1.00 0.38 C ATOM 717 C ARG A 94 -5.311 -7.255 -6.424 1.00 0.32 C ATOM 718 O ARG A 94 -5.689 -8.340 -5.985 1.00 0.46 O ATOM 719 CB ARG A 94 -3.180 -7.987 -7.527 1.00 0.47 C ATOM 720 CG ARG A 94 -2.248 -7.840 -8.715 1.00 0.70 C ATOM 721 CD ARG A 94 -2.947 -8.181 -10.017 1.00 0.95 C ATOM 722 NE ARG A 94 -2.185 -7.737 -11.186 1.00 1.67 N ATOM 723 CZ ARG A 94 -2.608 -7.875 -12.443 1.00 2.40 C ATOM 724 NH1 ARG A 94 -3.733 -8.532 -12.698 1.00 2.73 N ATOM 725 NH2 ARG A 94 -1.893 -7.375 -13.446 1.00 3.24 N ATOM 0 H ARG A 94 -3.311 -5.435 -7.518 1.00 0.33 H new ATOM 0 HA ARG A 94 -5.032 -7.586 -8.515 1.00 0.38 H new ATOM 0 HB2 ARG A 94 -2.661 -7.673 -6.621 1.00 0.47 H new ATOM 0 HB3 ARG A 94 -3.437 -9.039 -7.399 1.00 0.47 H new ATOM 0 HG2 ARG A 94 -1.873 -6.818 -8.760 1.00 0.70 H new ATOM 0 HG3 ARG A 94 -1.384 -8.491 -8.583 1.00 0.70 H new ATOM 0 HD2 ARG A 94 -3.101 -9.259 -10.073 1.00 0.95 H new ATOM 0 HD3 ARG A 94 -3.933 -7.717 -10.030 1.00 0.95 H new ATOM 0 HE ARG A 94 -1.278 -7.297 -11.030 1.00 1.67 H new ATOM 0 HH11 ARG A 94 -4.275 -8.932 -11.932 1.00 2.73 H new ATOM 0 HH12 ARG A 94 -4.056 -8.637 -13.660 1.00 2.73 H new ATOM 0 HH21 ARG A 94 -1.019 -6.885 -13.255 1.00 3.24 H new ATOM 0 HH22 ARG A 94 -2.218 -7.482 -14.407 1.00 3.24 H new ATOM 739 N ALA A 95 -5.578 -6.096 -5.836 1.00 0.28 N ATOM 740 CA ALA A 95 -6.460 -5.987 -4.699 1.00 0.25 C ATOM 741 C ALA A 95 -7.887 -5.725 -5.177 1.00 0.26 C ATOM 742 O ALA A 95 -8.106 -5.318 -6.318 1.00 0.36 O ATOM 743 CB ALA A 95 -5.963 -4.872 -3.790 1.00 0.25 C ATOM 0 H ALA A 95 -5.184 -5.206 -6.141 1.00 0.28 H new ATOM 0 HA ALA A 95 -6.464 -6.918 -4.133 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -6.624 -4.783 -2.928 1.00 0.25 H new ATOM 0 HB2 ALA A 95 -4.953 -5.102 -3.450 1.00 0.25 H new ATOM 0 HB3 ALA A 95 -5.955 -3.931 -4.340 1.00 0.25 H new ATOM 749 N HIS A 96 -8.850 -5.966 -4.306 1.00 0.29 N ATOM 750 CA HIS A 96 -10.257 -5.859 -4.670 1.00 0.29 C ATOM 751 C HIS A 96 -10.774 -4.458 -4.363 1.00 0.27 C ATOM 752 O HIS A 96 -10.642 -3.974 -3.237 1.00 0.29 O ATOM 753 CB HIS A 96 -11.079 -6.896 -3.910 1.00 0.33 C ATOM 754 CG HIS A 96 -12.399 -7.191 -4.541 1.00 0.37 C ATOM 755 ND1 HIS A 96 -13.517 -6.459 -4.241 1.00 0.38 N ATOM 756 CD2 HIS A 96 -12.718 -8.148 -5.441 1.00 0.45 C ATOM 757 CE1 HIS A 96 -14.493 -6.985 -4.963 1.00 0.46 C ATOM 758 NE2 HIS A 96 -14.059 -8.014 -5.706 1.00 0.50 N ATOM 0 H HIS A 96 -8.686 -6.238 -3.337 1.00 0.29 H new ATOM 0 HA HIS A 96 -10.356 -6.046 -5.739 1.00 0.29 H new ATOM 0 HB2 HIS A 96 -10.506 -7.820 -3.838 1.00 0.33 H new ATOM 0 HB3 HIS A 96 -11.243 -6.542 -2.892 1.00 0.33 H new ATOM 0 HD2 HIS A 96 -12.047 -8.878 -5.869 1.00 0.45 H new ATOM 0 HE1 HIS A 96 -15.513 -6.630 -4.955 1.00 0.46 H new ATOM 0 HE2 HIS A 96 -14.615 -8.585 -6.343 1.00 0.50 H new ATOM 766 N SER A 97 -11.397 -3.836 -5.356 1.00 0.32 N ATOM 767 CA SER A 97 -11.756 -2.421 -5.292 1.00 0.37 C ATOM 768 C SER A 97 -12.740 -2.093 -4.169 1.00 0.33 C ATOM 769 O SER A 97 -12.849 -0.941 -3.776 1.00 0.39 O ATOM 770 CB SER A 97 -12.340 -1.969 -6.630 1.00 0.48 C ATOM 771 OG SER A 97 -11.438 -2.227 -7.694 1.00 1.46 O ATOM 0 H SER A 97 -11.668 -4.294 -6.226 1.00 0.32 H new ATOM 0 HA SER A 97 -10.835 -1.880 -5.074 1.00 0.37 H new ATOM 0 HB2 SER A 97 -13.281 -2.487 -6.813 1.00 0.48 H new ATOM 0 HB3 SER A 97 -12.565 -0.903 -6.591 1.00 0.48 H new ATOM 0 HG SER A 97 -11.836 -1.930 -8.539 1.00 1.46 H new ATOM 777 N LEU A 98 -13.451 -3.086 -3.646 1.00 0.29 N ATOM 778 CA LEU A 98 -14.445 -2.830 -2.614 1.00 0.32 C ATOM 779 C LEU A 98 -13.799 -2.382 -1.311 1.00 0.35 C ATOM 780 O LEU A 98 -14.188 -1.364 -0.740 1.00 0.43 O ATOM 781 CB LEU A 98 -15.303 -4.063 -2.388 1.00 0.35 C ATOM 782 CG LEU A 98 -16.282 -4.367 -3.520 1.00 0.40 C ATOM 783 CD1 LEU A 98 -17.185 -5.530 -3.139 1.00 0.70 C ATOM 784 CD2 LEU A 98 -17.101 -3.127 -3.857 1.00 0.67 C ATOM 0 H LEU A 98 -13.358 -4.065 -3.917 1.00 0.29 H new ATOM 0 HA LEU A 98 -15.082 -2.016 -2.961 1.00 0.32 H new ATOM 0 HB2 LEU A 98 -14.650 -4.924 -2.248 1.00 0.35 H new ATOM 0 HB3 LEU A 98 -15.865 -3.935 -1.463 1.00 0.35 H new ATOM 0 HG LEU A 98 -15.717 -4.653 -4.408 1.00 0.40 H new ATOM 0 HD11 LEU A 98 -17.878 -5.735 -3.955 1.00 0.70 H new ATOM 0 HD12 LEU A 98 -16.578 -6.415 -2.947 1.00 0.70 H new ATOM 0 HD13 LEU A 98 -17.748 -5.275 -2.241 1.00 0.70 H new ATOM 0 HD21 LEU A 98 -17.795 -3.358 -4.665 1.00 0.67 H new ATOM 0 HD22 LEU A 98 -17.661 -2.811 -2.977 1.00 0.67 H new ATOM 0 HD23 LEU A 98 -16.434 -2.324 -4.170 1.00 0.67 H new ATOM 796 N PHE A 99 -12.820 -3.142 -0.841 1.00 0.32 N ATOM 797 CA PHE A 99 -12.057 -2.750 0.341 1.00 0.34 C ATOM 798 C PHE A 99 -11.319 -1.447 0.078 1.00 0.34 C ATOM 799 O PHE A 99 -11.285 -0.553 0.926 1.00 0.39 O ATOM 800 CB PHE A 99 -11.058 -3.843 0.736 1.00 0.36 C ATOM 801 CG PHE A 99 -9.927 -3.343 1.599 1.00 0.31 C ATOM 802 CD1 PHE A 99 -10.166 -2.878 2.884 1.00 0.44 C ATOM 803 CD2 PHE A 99 -8.625 -3.319 1.113 1.00 0.38 C ATOM 804 CE1 PHE A 99 -9.132 -2.405 3.670 1.00 0.57 C ATOM 805 CE2 PHE A 99 -7.589 -2.846 1.896 1.00 0.49 C ATOM 806 CZ PHE A 99 -7.842 -2.388 3.175 1.00 0.58 C ATOM 0 H PHE A 99 -12.535 -4.029 -1.256 1.00 0.32 H new ATOM 0 HA PHE A 99 -12.756 -2.608 1.165 1.00 0.34 H new ATOM 0 HB2 PHE A 99 -11.588 -4.633 1.268 1.00 0.36 H new ATOM 0 HB3 PHE A 99 -10.644 -4.289 -0.168 1.00 0.36 H new ATOM 0 HD1 PHE A 99 -11.173 -2.886 3.275 1.00 0.44 H new ATOM 0 HD2 PHE A 99 -8.421 -3.674 0.113 1.00 0.38 H new ATOM 0 HE1 PHE A 99 -9.332 -2.049 4.670 1.00 0.57 H new ATOM 0 HE2 PHE A 99 -6.581 -2.834 1.508 1.00 0.49 H new ATOM 0 HZ PHE A 99 -7.033 -2.017 3.787 1.00 0.58 H new ATOM 816 N LEU A 100 -10.725 -1.356 -1.103 1.00 0.31 N ATOM 817 CA LEU A 100 -9.973 -0.178 -1.492 1.00 0.36 C ATOM 818 C LEU A 100 -10.865 1.064 -1.463 1.00 0.45 C ATOM 819 O LEU A 100 -10.517 2.065 -0.844 1.00 0.79 O ATOM 820 CB LEU A 100 -9.375 -0.392 -2.886 1.00 0.37 C ATOM 821 CG LEU A 100 -8.687 -1.748 -3.079 1.00 0.35 C ATOM 822 CD1 LEU A 100 -8.248 -1.938 -4.514 1.00 0.82 C ATOM 823 CD2 LEU A 100 -7.497 -1.906 -2.148 1.00 0.70 C ATOM 0 H LEU A 100 -10.751 -2.090 -1.811 1.00 0.31 H new ATOM 0 HA LEU A 100 -9.162 -0.019 -0.782 1.00 0.36 H new ATOM 0 HB2 LEU A 100 -10.168 -0.292 -3.627 1.00 0.37 H new ATOM 0 HB3 LEU A 100 -8.652 0.400 -3.083 1.00 0.37 H new ATOM 0 HG LEU A 100 -9.420 -2.516 -2.833 1.00 0.35 H new ATOM 0 HD11 LEU A 100 -7.763 -2.908 -4.621 1.00 0.82 H new ATOM 0 HD12 LEU A 100 -9.118 -1.893 -5.170 1.00 0.82 H new ATOM 0 HD13 LEU A 100 -7.546 -1.150 -4.787 1.00 0.82 H new ATOM 0 HD21 LEU A 100 -7.033 -2.879 -2.312 1.00 0.70 H new ATOM 0 HD22 LEU A 100 -6.770 -1.119 -2.350 1.00 0.70 H new ATOM 0 HD23 LEU A 100 -7.832 -1.834 -1.113 1.00 0.70 H new ATOM 835 N ALA A 101 -12.045 0.967 -2.074 1.00 0.28 N ATOM 836 CA ALA A 101 -12.978 2.093 -2.175 1.00 0.33 C ATOM 837 C ALA A 101 -13.762 2.302 -0.878 1.00 0.36 C ATOM 838 O ALA A 101 -14.971 2.529 -0.901 1.00 0.57 O ATOM 839 CB ALA A 101 -13.942 1.872 -3.339 1.00 0.36 C ATOM 0 H ALA A 101 -12.382 0.110 -2.512 1.00 0.28 H new ATOM 0 HA ALA A 101 -12.390 2.993 -2.354 1.00 0.33 H new ATOM 0 HB1 ALA A 101 -14.631 2.714 -3.406 1.00 0.36 H new ATOM 0 HB2 ALA A 101 -13.378 1.790 -4.268 1.00 0.36 H new ATOM 0 HB3 ALA A 101 -14.506 0.954 -3.175 1.00 0.36 H new ATOM 845 N SER A 102 -13.065 2.273 0.243 1.00 0.34 N ATOM 846 CA SER A 102 -13.698 2.352 1.542 1.00 0.36 C ATOM 847 C SER A 102 -12.894 3.257 2.462 1.00 0.36 C ATOM 848 O SER A 102 -11.728 3.565 2.194 1.00 0.46 O ATOM 849 CB SER A 102 -13.830 0.949 2.149 1.00 0.40 C ATOM 850 OG SER A 102 -14.486 0.983 3.409 1.00 1.39 O ATOM 0 H SER A 102 -12.049 2.194 0.277 1.00 0.34 H new ATOM 0 HA SER A 102 -14.696 2.776 1.425 1.00 0.36 H new ATOM 0 HB2 SER A 102 -14.387 0.307 1.466 1.00 0.40 H new ATOM 0 HB3 SER A 102 -12.840 0.508 2.265 1.00 0.40 H new ATOM 0 HG SER A 102 -14.555 0.073 3.767 1.00 1.39 H new ATOM 856 N ALA A 103 -13.528 3.679 3.547 1.00 0.35 N ATOM 857 CA ALA A 103 -12.901 4.561 4.516 1.00 0.36 C ATOM 858 C ALA A 103 -11.793 3.842 5.258 1.00 0.29 C ATOM 859 O ALA A 103 -10.862 4.469 5.761 1.00 0.30 O ATOM 860 CB ALA A 103 -13.927 5.072 5.508 1.00 0.44 C ATOM 0 H ALA A 103 -14.487 3.420 3.778 1.00 0.35 H new ATOM 0 HA ALA A 103 -12.473 5.405 3.975 1.00 0.36 H new ATOM 0 HB1 ALA A 103 -13.441 5.731 6.227 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -14.703 5.623 4.977 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -14.376 4.229 6.034 1.00 0.44 H new ATOM 866 N GLU A 104 -11.902 2.524 5.326 1.00 0.29 N ATOM 867 CA GLU A 104 -10.922 1.730 6.040 1.00 0.30 C ATOM 868 C GLU A 104 -9.558 1.860 5.371 1.00 0.26 C ATOM 869 O GLU A 104 -8.563 2.172 6.023 1.00 0.30 O ATOM 870 CB GLU A 104 -11.348 0.261 6.106 1.00 0.39 C ATOM 871 CG GLU A 104 -10.450 -0.577 7.000 1.00 0.49 C ATOM 872 CD GLU A 104 -10.916 -2.012 7.145 1.00 1.02 C ATOM 873 OE1 GLU A 104 -12.021 -2.234 7.683 1.00 1.15 O ATOM 874 OE2 GLU A 104 -10.195 -2.923 6.687 1.00 1.81 O ATOM 0 H GLU A 104 -12.656 1.987 4.897 1.00 0.29 H new ATOM 0 HA GLU A 104 -10.853 2.105 7.061 1.00 0.30 H new ATOM 0 HB2 GLU A 104 -12.373 0.202 6.472 1.00 0.39 H new ATOM 0 HB3 GLU A 104 -11.344 -0.159 5.100 1.00 0.39 H new ATOM 0 HG2 GLU A 104 -9.438 -0.570 6.595 1.00 0.49 H new ATOM 0 HG3 GLU A 104 -10.401 -0.117 7.987 1.00 0.49 H new ATOM 881 N PHE A 105 -9.528 1.657 4.060 1.00 0.22 N ATOM 882 CA PHE A 105 -8.286 1.746 3.307 1.00 0.20 C ATOM 883 C PHE A 105 -7.779 3.186 3.262 1.00 0.19 C ATOM 884 O PHE A 105 -6.571 3.425 3.314 1.00 0.16 O ATOM 885 CB PHE A 105 -8.476 1.200 1.892 1.00 0.21 C ATOM 886 CG PHE A 105 -7.190 1.095 1.131 1.00 0.18 C ATOM 887 CD1 PHE A 105 -6.083 0.506 1.717 1.00 0.18 C ATOM 888 CD2 PHE A 105 -7.085 1.581 -0.163 1.00 0.18 C ATOM 889 CE1 PHE A 105 -4.893 0.407 1.031 1.00 0.17 C ATOM 890 CE2 PHE A 105 -5.894 1.482 -0.856 1.00 0.17 C ATOM 891 CZ PHE A 105 -4.797 0.896 -0.257 1.00 0.16 C ATOM 0 H PHE A 105 -10.348 1.430 3.498 1.00 0.22 H new ATOM 0 HA PHE A 105 -7.537 1.138 3.815 1.00 0.20 H new ATOM 0 HB2 PHE A 105 -8.941 0.216 1.947 1.00 0.21 H new ATOM 0 HB3 PHE A 105 -9.163 1.847 1.347 1.00 0.21 H new ATOM 0 HD1 PHE A 105 -6.153 0.120 2.723 1.00 0.18 H new ATOM 0 HD2 PHE A 105 -7.942 2.041 -0.633 1.00 0.18 H new ATOM 0 HE1 PHE A 105 -4.036 -0.053 1.500 1.00 0.17 H new ATOM 0 HE2 PHE A 105 -5.821 1.862 -1.864 1.00 0.17 H new ATOM 0 HZ PHE A 105 -3.864 0.820 -0.795 1.00 0.16 H new ATOM 901 N CYS A 106 -8.706 4.139 3.155 1.00 0.27 N ATOM 902 CA CYS A 106 -8.362 5.556 3.222 1.00 0.27 C ATOM 903 C CYS A 106 -7.531 5.851 4.476 1.00 0.27 C ATOM 904 O CYS A 106 -6.523 6.558 4.407 1.00 0.28 O ATOM 905 CB CYS A 106 -9.633 6.409 3.210 1.00 0.29 C ATOM 906 SG CYS A 106 -9.337 8.185 3.046 1.00 0.59 S ATOM 0 H CYS A 106 -9.700 3.953 3.022 1.00 0.27 H new ATOM 0 HA CYS A 106 -7.763 5.809 2.348 1.00 0.27 H new ATOM 0 HB2 CYS A 106 -10.269 6.081 2.387 1.00 0.29 H new ATOM 0 HB3 CYS A 106 -10.186 6.228 4.132 1.00 0.29 H new ATOM 0 HG CYS A 106 -8.142 8.467 3.473 1.00 0.59 H new ATOM 912 N ASN A 107 -7.955 5.288 5.612 1.00 0.28 N ATOM 913 CA ASN A 107 -7.203 5.393 6.869 1.00 0.30 C ATOM 914 C ASN A 107 -5.799 4.864 6.700 1.00 0.24 C ATOM 915 O ASN A 107 -4.828 5.555 6.989 1.00 0.23 O ATOM 916 CB ASN A 107 -7.873 4.593 7.980 1.00 0.37 C ATOM 917 CG ASN A 107 -8.918 5.389 8.741 1.00 0.46 C ATOM 918 OD1 ASN A 107 -8.613 6.026 9.748 1.00 0.78 O ATOM 919 ND2 ASN A 107 -10.153 5.366 8.266 1.00 0.64 N ATOM 0 H ASN A 107 -8.819 4.752 5.688 1.00 0.28 H new ATOM 0 HA ASN A 107 -7.179 6.450 7.136 1.00 0.30 H new ATOM 0 HB2 ASN A 107 -8.341 3.708 7.550 1.00 0.37 H new ATOM 0 HB3 ASN A 107 -7.112 4.244 8.678 1.00 0.37 H new ATOM 0 HD21 ASN A 107 -10.891 5.889 8.738 1.00 0.64 H new ATOM 0 HD22 ASN A 107 -10.367 4.826 7.428 1.00 0.64 H new ATOM 926 N ILE A 108 -5.714 3.634 6.216 1.00 0.21 N ATOM 927 CA ILE A 108 -4.444 2.953 6.023 1.00 0.17 C ATOM 928 C ILE A 108 -3.481 3.833 5.243 1.00 0.12 C ATOM 929 O ILE A 108 -2.352 4.071 5.671 1.00 0.12 O ATOM 930 CB ILE A 108 -4.678 1.623 5.274 1.00 0.17 C ATOM 931 CG1 ILE A 108 -4.847 0.471 6.257 1.00 0.23 C ATOM 932 CG2 ILE A 108 -3.574 1.321 4.273 1.00 0.14 C ATOM 933 CD1 ILE A 108 -6.195 0.464 6.925 1.00 0.39 C ATOM 0 H ILE A 108 -6.526 3.079 5.946 1.00 0.21 H new ATOM 0 HA ILE A 108 -4.003 2.743 6.998 1.00 0.17 H new ATOM 0 HB ILE A 108 -5.601 1.735 4.706 1.00 0.17 H new ATOM 0 HG12 ILE A 108 -4.703 -0.473 5.731 1.00 0.23 H new ATOM 0 HG13 ILE A 108 -4.070 0.533 7.019 1.00 0.23 H new ATOM 0 HG21 ILE A 108 -3.785 0.376 3.773 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -3.525 2.120 3.533 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -2.619 1.250 4.794 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -6.256 -0.379 7.613 1.00 0.39 H new ATOM 0 HD12 ILE A 108 -6.332 1.394 7.477 1.00 0.39 H new ATOM 0 HD13 ILE A 108 -6.975 0.372 6.169 1.00 0.39 H new ATOM 945 N LEU A 109 -3.956 4.331 4.119 1.00 0.12 N ATOM 946 CA LEU A 109 -3.176 5.207 3.266 1.00 0.12 C ATOM 947 C LEU A 109 -2.791 6.494 3.968 1.00 0.13 C ATOM 948 O LEU A 109 -1.618 6.853 4.013 1.00 0.13 O ATOM 949 CB LEU A 109 -3.964 5.522 2.015 1.00 0.15 C ATOM 950 CG LEU A 109 -3.840 4.471 0.934 1.00 0.16 C ATOM 951 CD1 LEU A 109 -4.903 4.674 -0.111 1.00 0.18 C ATOM 952 CD2 LEU A 109 -2.468 4.547 0.311 1.00 0.17 C ATOM 0 H LEU A 109 -4.895 4.140 3.770 1.00 0.12 H new ATOM 0 HA LEU A 109 -2.253 4.687 3.009 1.00 0.12 H new ATOM 0 HB2 LEU A 109 -5.015 5.636 2.278 1.00 0.15 H new ATOM 0 HB3 LEU A 109 -3.629 6.480 1.617 1.00 0.15 H new ATOM 0 HG LEU A 109 -3.976 3.483 1.375 1.00 0.16 H new ATOM 0 HD11 LEU A 109 -4.804 3.912 -0.884 1.00 0.18 H new ATOM 0 HD12 LEU A 109 -5.887 4.596 0.351 1.00 0.18 H new ATOM 0 HD13 LEU A 109 -4.789 5.661 -0.559 1.00 0.18 H new ATOM 0 HD21 LEU A 109 -2.380 3.789 -0.468 1.00 0.17 H new ATOM 0 HD22 LEU A 109 -2.321 5.535 -0.125 1.00 0.17 H new ATOM 0 HD23 LEU A 109 -1.711 4.372 1.075 1.00 0.17 H new ATOM 964 N SER A 110 -3.785 7.174 4.514 1.00 0.16 N ATOM 965 CA SER A 110 -3.569 8.431 5.210 1.00 0.20 C ATOM 966 C SER A 110 -2.520 8.255 6.311 1.00 0.19 C ATOM 967 O SER A 110 -1.707 9.144 6.567 1.00 0.22 O ATOM 968 CB SER A 110 -4.890 8.918 5.809 1.00 0.28 C ATOM 969 OG SER A 110 -4.807 10.268 6.237 1.00 1.18 O ATOM 0 H SER A 110 -4.759 6.872 4.488 1.00 0.16 H new ATOM 0 HA SER A 110 -3.202 9.174 4.501 1.00 0.20 H new ATOM 0 HB2 SER A 110 -5.684 8.819 5.068 1.00 0.28 H new ATOM 0 HB3 SER A 110 -5.162 8.285 6.654 1.00 0.28 H new ATOM 0 HG SER A 110 -5.669 10.546 6.612 1.00 1.18 H new ATOM 975 N ARG A 111 -2.543 7.090 6.948 1.00 0.18 N ATOM 976 CA ARG A 111 -1.622 6.779 8.021 1.00 0.19 C ATOM 977 C ARG A 111 -0.219 6.446 7.496 1.00 0.16 C ATOM 978 O ARG A 111 0.744 7.132 7.841 1.00 0.17 O ATOM 979 CB ARG A 111 -2.178 5.621 8.850 1.00 0.25 C ATOM 980 CG ARG A 111 -3.458 5.965 9.595 1.00 0.33 C ATOM 981 CD ARG A 111 -3.983 4.777 10.382 1.00 1.22 C ATOM 982 NE ARG A 111 -5.328 5.018 10.904 1.00 1.97 N ATOM 983 CZ ARG A 111 -6.068 4.098 11.524 1.00 2.79 C ATOM 984 NH1 ARG A 111 -5.574 2.887 11.764 1.00 3.10 N ATOM 985 NH2 ARG A 111 -7.305 4.390 11.905 1.00 3.73 N ATOM 0 H ARG A 111 -3.200 6.341 6.732 1.00 0.18 H new ATOM 0 HA ARG A 111 -1.522 7.663 8.651 1.00 0.19 H new ATOM 0 HB2 ARG A 111 -2.367 4.772 8.192 1.00 0.25 H new ATOM 0 HB3 ARG A 111 -1.423 5.305 9.569 1.00 0.25 H new ATOM 0 HG2 ARG A 111 -3.272 6.798 10.273 1.00 0.33 H new ATOM 0 HG3 ARG A 111 -4.216 6.295 8.884 1.00 0.33 H new ATOM 0 HD2 ARG A 111 -3.995 3.895 9.742 1.00 1.22 H new ATOM 0 HD3 ARG A 111 -3.306 4.562 11.209 1.00 1.22 H new ATOM 0 HE ARG A 111 -5.726 5.950 10.786 1.00 1.97 H new ATOM 0 HH11 ARG A 111 -4.624 2.657 11.473 1.00 3.10 H new ATOM 0 HH12 ARG A 111 -6.145 2.188 12.239 1.00 3.10 H new ATOM 0 HH21 ARG A 111 -7.689 5.317 11.724 1.00 3.73 H new ATOM 0 HH22 ARG A 111 -7.872 3.687 12.379 1.00 3.73 H new ATOM 999 N VAL A 112 -0.104 5.424 6.642 1.00 0.15 N ATOM 1000 CA VAL A 112 1.211 4.925 6.223 1.00 0.14 C ATOM 1001 C VAL A 112 1.935 5.902 5.308 1.00 0.14 C ATOM 1002 O VAL A 112 3.140 6.105 5.452 1.00 0.15 O ATOM 1003 CB VAL A 112 1.154 3.539 5.532 1.00 0.14 C ATOM 1004 CG1 VAL A 112 0.599 2.482 6.473 1.00 0.17 C ATOM 1005 CG2 VAL A 112 0.342 3.599 4.253 1.00 0.15 C ATOM 0 H VAL A 112 -0.896 4.930 6.231 1.00 0.15 H new ATOM 0 HA VAL A 112 1.769 4.818 7.153 1.00 0.14 H new ATOM 0 HB VAL A 112 2.174 3.257 5.271 1.00 0.14 H new ATOM 0 HG11 VAL A 112 0.570 1.519 5.962 1.00 0.17 H new ATOM 0 HG12 VAL A 112 1.238 2.407 7.353 1.00 0.17 H new ATOM 0 HG13 VAL A 112 -0.409 2.761 6.779 1.00 0.17 H new ATOM 0 HG21 VAL A 112 0.319 2.613 3.790 1.00 0.15 H new ATOM 0 HG22 VAL A 112 -0.675 3.916 4.482 1.00 0.15 H new ATOM 0 HG23 VAL A 112 0.798 4.312 3.566 1.00 0.15 H new ATOM 1015 N LEU A 113 1.208 6.509 4.378 1.00 0.15 N ATOM 1016 CA LEU A 113 1.797 7.441 3.448 1.00 0.16 C ATOM 1017 C LEU A 113 2.465 8.585 4.194 1.00 0.17 C ATOM 1018 O LEU A 113 3.630 8.901 3.965 1.00 0.20 O ATOM 1019 CB LEU A 113 0.712 7.974 2.520 1.00 0.16 C ATOM 1020 CG LEU A 113 0.761 9.473 2.290 1.00 0.20 C ATOM 1021 CD1 LEU A 113 1.893 9.818 1.336 1.00 0.20 C ATOM 1022 CD2 LEU A 113 -0.563 9.973 1.758 1.00 0.27 C ATOM 0 H LEU A 113 0.206 6.366 4.254 1.00 0.15 H new ATOM 0 HA LEU A 113 2.559 6.931 2.859 1.00 0.16 H new ATOM 0 HB2 LEU A 113 0.794 7.469 1.558 1.00 0.16 H new ATOM 0 HB3 LEU A 113 -0.262 7.714 2.934 1.00 0.16 H new ATOM 0 HG LEU A 113 0.949 9.968 3.243 1.00 0.20 H new ATOM 0 HD11 LEU A 113 1.919 10.896 1.178 1.00 0.20 H new ATOM 0 HD12 LEU A 113 2.841 9.491 1.763 1.00 0.20 H new ATOM 0 HD13 LEU A 113 1.731 9.315 0.383 1.00 0.20 H new ATOM 0 HD21 LEU A 113 -0.508 11.050 1.599 1.00 0.27 H new ATOM 0 HD22 LEU A 113 -0.786 9.478 0.813 1.00 0.27 H new ATOM 0 HD23 LEU A 113 -1.351 9.752 2.478 1.00 0.27 H new ATOM 1034 N SER A 114 1.720 9.187 5.100 1.00 0.17 N ATOM 1035 CA SER A 114 2.189 10.350 5.817 1.00 0.21 C ATOM 1036 C SER A 114 3.285 9.965 6.807 1.00 0.18 C ATOM 1037 O SER A 114 4.189 10.756 7.084 1.00 0.20 O ATOM 1038 CB SER A 114 1.010 11.027 6.494 1.00 0.26 C ATOM 1039 OG SER A 114 0.113 11.549 5.529 1.00 1.06 O ATOM 0 H SER A 114 0.780 8.885 5.357 1.00 0.17 H new ATOM 0 HA SER A 114 2.634 11.061 5.121 1.00 0.21 H new ATOM 0 HB2 SER A 114 0.491 10.312 7.132 1.00 0.26 H new ATOM 0 HB3 SER A 114 1.366 11.830 7.139 1.00 0.26 H new ATOM 0 HG SER A 114 -0.701 11.003 5.510 1.00 1.06 H new ATOM 1045 N ARG A 115 3.207 8.744 7.324 1.00 0.15 N ATOM 1046 CA ARG A 115 4.298 8.174 8.095 1.00 0.16 C ATOM 1047 C ARG A 115 5.584 8.182 7.276 1.00 0.15 C ATOM 1048 O ARG A 115 6.647 8.545 7.777 1.00 0.18 O ATOM 1049 CB ARG A 115 3.970 6.743 8.515 1.00 0.20 C ATOM 1050 CG ARG A 115 3.148 6.655 9.780 1.00 0.31 C ATOM 1051 CD ARG A 115 3.865 7.330 10.928 1.00 0.53 C ATOM 1052 NE ARG A 115 3.414 6.844 12.229 1.00 0.89 N ATOM 1053 CZ ARG A 115 3.164 7.634 13.274 1.00 1.21 C ATOM 1054 NH1 ARG A 115 3.208 8.956 13.139 1.00 1.63 N ATOM 1055 NH2 ARG A 115 2.848 7.097 14.443 1.00 1.62 N ATOM 0 H ARG A 115 2.398 8.132 7.221 1.00 0.15 H new ATOM 0 HA ARG A 115 4.436 8.782 8.989 1.00 0.16 H new ATOM 0 HB2 ARG A 115 3.430 6.251 7.706 1.00 0.20 H new ATOM 0 HB3 ARG A 115 4.900 6.193 8.658 1.00 0.20 H new ATOM 0 HG2 ARG A 115 2.177 7.126 9.623 1.00 0.31 H new ATOM 0 HG3 ARG A 115 2.959 5.610 10.026 1.00 0.31 H new ATOM 0 HD2 ARG A 115 4.938 7.162 10.832 1.00 0.53 H new ATOM 0 HD3 ARG A 115 3.705 8.407 10.870 1.00 0.53 H new ATOM 0 HE ARG A 115 3.282 5.839 12.346 1.00 0.89 H new ATOM 0 HH11 ARG A 115 3.433 9.369 12.234 1.00 1.63 H new ATOM 0 HH12 ARG A 115 3.016 9.557 13.940 1.00 1.63 H new ATOM 0 HH21 ARG A 115 2.797 6.083 14.541 1.00 1.62 H new ATOM 0 HH22 ARG A 115 2.656 7.697 15.245 1.00 1.62 H new ATOM 1069 N ALA A 116 5.471 7.782 6.013 1.00 0.15 N ATOM 1070 CA ALA A 116 6.612 7.740 5.104 1.00 0.18 C ATOM 1071 C ALA A 116 7.050 9.145 4.688 1.00 0.21 C ATOM 1072 O ALA A 116 8.230 9.384 4.437 1.00 0.25 O ATOM 1073 CB ALA A 116 6.284 6.894 3.890 1.00 0.20 C ATOM 0 H ALA A 116 4.592 7.480 5.593 1.00 0.15 H new ATOM 0 HA ALA A 116 7.448 7.283 5.633 1.00 0.18 H new ATOM 0 HB1 ALA A 116 7.143 6.871 3.220 1.00 0.20 H new ATOM 0 HB2 ALA A 116 6.044 5.879 4.208 1.00 0.20 H new ATOM 0 HB3 ALA A 116 5.428 7.323 3.368 1.00 0.20 H new ATOM 1079 N ARG A 117 6.088 10.063 4.599 1.00 0.23 N ATOM 1080 CA ARG A 117 6.393 11.479 4.386 1.00 0.28 C ATOM 1081 C ARG A 117 7.356 11.950 5.470 1.00 0.29 C ATOM 1082 O ARG A 117 8.395 12.554 5.194 1.00 0.39 O ATOM 1083 CB ARG A 117 5.122 12.332 4.466 1.00 0.38 C ATOM 1084 CG ARG A 117 4.068 12.026 3.417 1.00 1.06 C ATOM 1085 CD ARG A 117 4.389 12.655 2.071 1.00 1.15 C ATOM 1086 NE ARG A 117 3.172 12.829 1.271 1.00 1.75 N ATOM 1087 CZ ARG A 117 3.049 13.686 0.254 1.00 2.25 C ATOM 1088 NH1 ARG A 117 4.085 14.416 -0.143 1.00 2.33 N ATOM 1089 NH2 ARG A 117 1.880 13.807 -0.371 1.00 2.99 N ATOM 0 H ARG A 117 5.092 9.853 4.671 1.00 0.23 H new ATOM 0 HA ARG A 117 6.835 11.590 3.396 1.00 0.28 H new ATOM 0 HB2 ARG A 117 4.678 12.201 5.453 1.00 0.38 H new ATOM 0 HB3 ARG A 117 5.403 13.382 4.380 1.00 0.38 H new ATOM 0 HG2 ARG A 117 3.980 10.946 3.298 1.00 1.06 H new ATOM 0 HG3 ARG A 117 3.100 12.388 3.762 1.00 1.06 H new ATOM 0 HD2 ARG A 117 4.871 13.621 2.222 1.00 1.15 H new ATOM 0 HD3 ARG A 117 5.097 12.027 1.531 1.00 1.15 H new ATOM 0 HE ARG A 117 2.363 12.255 1.508 1.00 1.75 H new ATOM 0 HH11 ARG A 117 4.984 14.325 0.330 1.00 2.33 H new ATOM 0 HH12 ARG A 117 3.981 15.068 -0.921 1.00 2.33 H new ATOM 0 HH21 ARG A 117 1.082 13.246 -0.073 1.00 2.99 H new ATOM 0 HH22 ARG A 117 1.782 14.460 -1.148 1.00 2.99 H new ATOM 1103 N SER A 118 6.983 11.648 6.707 1.00 0.28 N ATOM 1104 CA SER A 118 7.760 12.014 7.878 1.00 0.33 C ATOM 1105 C SER A 118 9.074 11.258 7.911 1.00 0.32 C ATOM 1106 O SER A 118 10.157 11.848 7.912 1.00 0.41 O ATOM 1107 CB SER A 118 6.959 11.687 9.136 1.00 0.38 C ATOM 1108 OG SER A 118 7.532 12.272 10.294 1.00 0.62 O ATOM 0 H SER A 118 6.126 11.139 6.924 1.00 0.28 H new ATOM 0 HA SER A 118 7.974 13.082 7.834 1.00 0.33 H new ATOM 0 HB2 SER A 118 5.936 12.043 9.018 1.00 0.38 H new ATOM 0 HB3 SER A 118 6.908 10.606 9.263 1.00 0.38 H new ATOM 0 HG SER A 118 6.840 12.754 10.794 1.00 0.62 H new ATOM 1114 N ARG A 119 8.955 9.946 7.944 1.00 0.26 N ATOM 1115 CA ARG A 119 10.097 9.071 8.056 1.00 0.28 C ATOM 1116 C ARG A 119 10.309 8.244 6.791 1.00 0.26 C ATOM 1117 O ARG A 119 9.867 7.097 6.710 1.00 0.25 O ATOM 1118 CB ARG A 119 9.940 8.133 9.244 1.00 0.33 C ATOM 1119 CG ARG A 119 9.826 8.831 10.569 1.00 0.47 C ATOM 1120 CD ARG A 119 8.382 9.080 10.904 1.00 1.28 C ATOM 1121 NE ARG A 119 8.102 8.878 12.326 1.00 1.54 N ATOM 1122 CZ ARG A 119 7.284 9.640 13.056 1.00 2.39 C ATOM 1123 NH1 ARG A 119 6.740 10.735 12.534 1.00 3.26 N ATOM 1124 NH2 ARG A 119 7.044 9.322 14.324 1.00 2.60 N ATOM 0 H ARG A 119 8.060 9.459 7.894 1.00 0.26 H new ATOM 0 HA ARG A 119 10.969 9.708 8.201 1.00 0.28 H new ATOM 0 HB2 ARG A 119 9.053 7.518 9.092 1.00 0.33 H new ATOM 0 HB3 ARG A 119 10.795 7.457 9.274 1.00 0.33 H new ATOM 0 HG2 ARG A 119 10.288 8.225 11.348 1.00 0.47 H new ATOM 0 HG3 ARG A 119 10.368 9.776 10.538 1.00 0.47 H new ATOM 0 HD2 ARG A 119 8.116 10.099 10.624 1.00 1.28 H new ATOM 0 HD3 ARG A 119 7.754 8.413 10.313 1.00 1.28 H new ATOM 0 HE ARG A 119 8.565 8.099 12.793 1.00 1.54 H new ATOM 0 HH11 ARG A 119 6.947 10.997 11.570 1.00 3.26 H new ATOM 0 HH12 ARG A 119 6.116 11.313 13.097 1.00 3.26 H new ATOM 0 HH21 ARG A 119 7.484 8.499 14.735 1.00 2.60 H new ATOM 0 HH22 ARG A 119 6.420 9.901 14.886 1.00 2.60 H new ATOM 1138 N PRO A 120 11.007 8.811 5.796 1.00 0.29 N ATOM 1139 CA PRO A 120 11.446 8.082 4.599 1.00 0.30 C ATOM 1140 C PRO A 120 12.333 6.909 4.981 1.00 0.27 C ATOM 1141 O PRO A 120 12.440 5.917 4.261 1.00 0.28 O ATOM 1142 CB PRO A 120 12.265 9.122 3.829 1.00 0.37 C ATOM 1143 CG PRO A 120 12.607 10.159 4.837 1.00 0.38 C ATOM 1144 CD PRO A 120 11.428 10.209 5.750 1.00 0.35 C ATOM 0 HA PRO A 120 10.614 7.672 4.027 1.00 0.30 H new ATOM 0 HB2 PRO A 120 13.162 8.678 3.398 1.00 0.37 H new ATOM 0 HB3 PRO A 120 11.691 9.546 3.005 1.00 0.37 H new ATOM 0 HG2 PRO A 120 13.516 9.899 5.379 1.00 0.38 H new ATOM 0 HG3 PRO A 120 12.783 11.126 4.365 1.00 0.38 H new ATOM 0 HD2 PRO A 120 11.695 10.586 6.738 1.00 0.35 H new ATOM 0 HD3 PRO A 120 10.642 10.857 5.363 1.00 0.35 H new ATOM 1152 N ALA A 121 12.952 7.046 6.143 1.00 0.25 N ATOM 1153 CA ALA A 121 13.845 6.040 6.686 1.00 0.28 C ATOM 1154 C ALA A 121 13.127 4.716 6.951 1.00 0.27 C ATOM 1155 O ALA A 121 13.759 3.663 7.026 1.00 0.35 O ATOM 1156 CB ALA A 121 14.473 6.571 7.960 1.00 0.33 C ATOM 0 H ALA A 121 12.846 7.867 6.739 1.00 0.25 H new ATOM 0 HA ALA A 121 14.620 5.834 5.948 1.00 0.28 H new ATOM 0 HB1 ALA A 121 15.146 5.820 8.374 1.00 0.33 H new ATOM 0 HB2 ALA A 121 15.034 7.479 7.738 1.00 0.33 H new ATOM 0 HB3 ALA A 121 13.691 6.797 8.685 1.00 0.33 H new ATOM 1162 N LYS A 122 11.809 4.766 7.116 1.00 0.22 N ATOM 1163 CA LYS A 122 11.024 3.560 7.313 1.00 0.27 C ATOM 1164 C LYS A 122 9.882 3.489 6.314 1.00 0.19 C ATOM 1165 O LYS A 122 8.928 2.738 6.508 1.00 0.18 O ATOM 1166 CB LYS A 122 10.501 3.494 8.744 1.00 0.39 C ATOM 1167 CG LYS A 122 11.589 3.176 9.752 1.00 0.49 C ATOM 1168 CD LYS A 122 11.437 1.771 10.314 1.00 0.66 C ATOM 1169 CE LYS A 122 10.220 1.659 11.218 1.00 1.28 C ATOM 1170 NZ LYS A 122 10.138 0.334 11.889 1.00 1.79 N ATOM 0 H LYS A 122 11.266 5.629 7.117 1.00 0.22 H new ATOM 0 HA LYS A 122 11.669 2.698 7.144 1.00 0.27 H new ATOM 0 HB2 LYS A 122 10.040 4.447 9.002 1.00 0.39 H new ATOM 0 HB3 LYS A 122 9.721 2.735 8.806 1.00 0.39 H new ATOM 0 HG2 LYS A 122 12.565 3.275 9.278 1.00 0.49 H new ATOM 0 HG3 LYS A 122 11.555 3.900 10.566 1.00 0.49 H new ATOM 0 HD2 LYS A 122 11.349 1.058 9.494 1.00 0.66 H new ATOM 0 HD3 LYS A 122 12.333 1.504 10.874 1.00 0.66 H new ATOM 0 HE2 LYS A 122 10.257 2.445 11.973 1.00 1.28 H new ATOM 0 HE3 LYS A 122 9.317 1.823 10.630 1.00 1.28 H new ATOM 0 HZ1 LYS A 122 9.156 0.153 12.181 1.00 1.79 H new ATOM 0 HZ2 LYS A 122 10.446 -0.409 11.229 1.00 1.79 H new ATOM 0 HZ3 LYS A 122 10.754 0.330 12.727 1.00 1.79 H new ATOM 1184 N LEU A 123 10.015 4.263 5.236 1.00 0.17 N ATOM 1185 CA LEU A 123 9.076 4.249 4.121 1.00 0.14 C ATOM 1186 C LEU A 123 8.750 2.824 3.690 1.00 0.12 C ATOM 1187 O LEU A 123 7.603 2.504 3.392 1.00 0.12 O ATOM 1188 CB LEU A 123 9.702 5.018 2.961 1.00 0.16 C ATOM 1189 CG LEU A 123 9.125 4.736 1.585 1.00 0.14 C ATOM 1190 CD1 LEU A 123 7.854 5.524 1.362 1.00 0.15 C ATOM 1191 CD2 LEU A 123 10.157 5.058 0.532 1.00 0.21 C ATOM 0 H LEU A 123 10.785 4.921 5.114 1.00 0.17 H new ATOM 0 HA LEU A 123 8.142 4.718 4.430 1.00 0.14 H new ATOM 0 HB2 LEU A 123 9.603 6.085 3.163 1.00 0.16 H new ATOM 0 HB3 LEU A 123 10.769 4.796 2.938 1.00 0.16 H new ATOM 0 HG LEU A 123 8.869 3.679 1.515 1.00 0.14 H new ATOM 0 HD11 LEU A 123 7.460 5.305 0.370 1.00 0.15 H new ATOM 0 HD12 LEU A 123 7.117 5.246 2.115 1.00 0.15 H new ATOM 0 HD13 LEU A 123 8.068 6.590 1.440 1.00 0.15 H new ATOM 0 HD21 LEU A 123 9.744 4.856 -0.456 1.00 0.21 H new ATOM 0 HD22 LEU A 123 10.432 6.110 0.602 1.00 0.21 H new ATOM 0 HD23 LEU A 123 11.042 4.441 0.689 1.00 0.21 H new ATOM 1203 N TYR A 124 9.766 1.965 3.692 1.00 0.13 N ATOM 1204 CA TYR A 124 9.601 0.588 3.247 1.00 0.13 C ATOM 1205 C TYR A 124 8.618 -0.160 4.122 1.00 0.13 C ATOM 1206 O TYR A 124 7.782 -0.875 3.610 1.00 0.14 O ATOM 1207 CB TYR A 124 10.935 -0.142 3.219 1.00 0.14 C ATOM 1208 CG TYR A 124 11.847 0.306 2.112 1.00 0.14 C ATOM 1209 CD1 TYR A 124 12.733 1.360 2.284 1.00 0.22 C ATOM 1210 CD2 TYR A 124 11.826 -0.339 0.892 1.00 0.14 C ATOM 1211 CE1 TYR A 124 13.572 1.756 1.261 1.00 0.26 C ATOM 1212 CE2 TYR A 124 12.654 0.041 -0.127 1.00 0.19 C ATOM 1213 CZ TYR A 124 13.530 1.091 0.055 1.00 0.24 C ATOM 1214 OH TYR A 124 14.364 1.473 -0.968 1.00 0.31 O ATOM 0 H TYR A 124 10.711 2.200 3.997 1.00 0.13 H new ATOM 0 HA TYR A 124 9.201 0.622 2.233 1.00 0.13 H new ATOM 0 HB2 TYR A 124 11.439 0.004 4.174 1.00 0.14 H new ATOM 0 HB3 TYR A 124 10.752 -1.211 3.116 1.00 0.14 H new ATOM 0 HD1 TYR A 124 12.767 1.878 3.231 1.00 0.22 H new ATOM 0 HD2 TYR A 124 11.142 -1.160 0.739 1.00 0.14 H new ATOM 0 HE1 TYR A 124 14.255 2.580 1.405 1.00 0.26 H new ATOM 0 HE2 TYR A 124 12.622 -0.480 -1.073 1.00 0.19 H new ATOM 0 HH TYR A 124 14.208 0.901 -1.748 1.00 0.31 H new ATOM 1224 N VAL A 125 8.709 0.009 5.432 1.00 0.13 N ATOM 1225 CA VAL A 125 7.746 -0.618 6.337 1.00 0.14 C ATOM 1226 C VAL A 125 6.316 -0.273 5.939 1.00 0.12 C ATOM 1227 O VAL A 125 5.434 -1.129 5.947 1.00 0.14 O ATOM 1228 CB VAL A 125 7.987 -0.191 7.792 1.00 0.18 C ATOM 1229 CG1 VAL A 125 6.902 -0.740 8.715 1.00 0.19 C ATOM 1230 CG2 VAL A 125 9.362 -0.654 8.227 1.00 0.23 C ATOM 0 H VAL A 125 9.428 0.567 5.892 1.00 0.13 H new ATOM 0 HA VAL A 125 7.888 -1.696 6.259 1.00 0.14 H new ATOM 0 HB VAL A 125 7.941 0.896 7.856 1.00 0.18 H new ATOM 0 HG11 VAL A 125 7.099 -0.421 9.738 1.00 0.19 H new ATOM 0 HG12 VAL A 125 5.930 -0.362 8.398 1.00 0.19 H new ATOM 0 HG13 VAL A 125 6.901 -1.829 8.668 1.00 0.19 H new ATOM 0 HG21 VAL A 125 9.537 -0.353 9.260 1.00 0.23 H new ATOM 0 HG22 VAL A 125 9.421 -1.740 8.150 1.00 0.23 H new ATOM 0 HG23 VAL A 125 10.118 -0.203 7.584 1.00 0.23 H new ATOM 1240 N TYR A 126 6.109 0.974 5.559 1.00 0.11 N ATOM 1241 CA TYR A 126 4.796 1.444 5.157 1.00 0.11 C ATOM 1242 C TYR A 126 4.452 0.896 3.775 1.00 0.10 C ATOM 1243 O TYR A 126 3.298 0.588 3.488 1.00 0.11 O ATOM 1244 CB TYR A 126 4.781 2.969 5.197 1.00 0.12 C ATOM 1245 CG TYR A 126 5.371 3.497 6.487 1.00 0.12 C ATOM 1246 CD1 TYR A 126 4.950 2.993 7.710 1.00 0.17 C ATOM 1247 CD2 TYR A 126 6.370 4.464 6.487 1.00 0.17 C ATOM 1248 CE1 TYR A 126 5.499 3.438 8.894 1.00 0.20 C ATOM 1249 CE2 TYR A 126 6.926 4.914 7.670 1.00 0.20 C ATOM 1250 CZ TYR A 126 6.489 4.397 8.870 1.00 0.20 C ATOM 1251 OH TYR A 126 7.041 4.846 10.049 1.00 0.25 O ATOM 0 H TYR A 126 6.840 1.685 5.520 1.00 0.11 H new ATOM 0 HA TYR A 126 4.032 1.082 5.845 1.00 0.11 H new ATOM 0 HB2 TYR A 126 5.345 3.362 4.351 1.00 0.12 H new ATOM 0 HB3 TYR A 126 3.757 3.327 5.091 1.00 0.12 H new ATOM 0 HD1 TYR A 126 4.178 2.238 7.735 1.00 0.17 H new ATOM 0 HD2 TYR A 126 6.717 4.870 5.548 1.00 0.17 H new ATOM 0 HE1 TYR A 126 5.155 3.037 9.836 1.00 0.20 H new ATOM 0 HE2 TYR A 126 7.700 5.668 7.654 1.00 0.20 H new ATOM 0 HH TYR A 126 7.725 5.520 9.854 1.00 0.25 H new ATOM 1261 N ILE A 127 5.475 0.764 2.937 1.00 0.11 N ATOM 1262 CA ILE A 127 5.367 0.048 1.666 1.00 0.11 C ATOM 1263 C ILE A 127 4.901 -1.386 1.917 1.00 0.11 C ATOM 1264 O ILE A 127 3.947 -1.867 1.308 1.00 0.11 O ATOM 1265 CB ILE A 127 6.738 0.034 0.941 1.00 0.11 C ATOM 1266 CG1 ILE A 127 7.101 1.447 0.487 1.00 0.12 C ATOM 1267 CG2 ILE A 127 6.732 -0.919 -0.240 1.00 0.13 C ATOM 1268 CD1 ILE A 127 8.570 1.643 0.185 1.00 0.11 C ATOM 0 H ILE A 127 6.402 1.149 3.117 1.00 0.11 H new ATOM 0 HA ILE A 127 4.639 0.558 1.035 1.00 0.11 H new ATOM 0 HB ILE A 127 7.491 -0.320 1.645 1.00 0.11 H new ATOM 0 HG12 ILE A 127 6.523 1.690 -0.404 1.00 0.12 H new ATOM 0 HG13 ILE A 127 6.804 2.153 1.262 1.00 0.12 H new ATOM 0 HG21 ILE A 127 7.708 -0.904 -0.725 1.00 0.13 H new ATOM 0 HG22 ILE A 127 6.516 -1.929 0.108 1.00 0.13 H new ATOM 0 HG23 ILE A 127 5.968 -0.610 -0.953 1.00 0.13 H new ATOM 0 HD11 ILE A 127 8.743 2.672 -0.130 1.00 0.11 H new ATOM 0 HD12 ILE A 127 9.156 1.434 1.080 1.00 0.11 H new ATOM 0 HD13 ILE A 127 8.871 0.964 -0.613 1.00 0.11 H new ATOM 1280 N ASN A 128 5.592 -2.044 2.840 1.00 0.12 N ATOM 1281 CA ASN A 128 5.285 -3.400 3.264 1.00 0.14 C ATOM 1282 C ASN A 128 3.851 -3.495 3.770 1.00 0.14 C ATOM 1283 O ASN A 128 3.081 -4.355 3.333 1.00 0.16 O ATOM 1284 CB ASN A 128 6.242 -3.813 4.388 1.00 0.20 C ATOM 1285 CG ASN A 128 7.685 -4.023 3.945 1.00 0.25 C ATOM 1286 OD1 ASN A 128 8.427 -4.763 4.572 1.00 0.50 O ATOM 1287 ND2 ASN A 128 8.099 -3.374 2.878 1.00 0.26 N ATOM 0 H ASN A 128 6.395 -1.641 3.322 1.00 0.12 H new ATOM 0 HA ASN A 128 5.402 -4.065 2.408 1.00 0.14 H new ATOM 0 HB2 ASN A 128 6.221 -3.048 5.165 1.00 0.20 H new ATOM 0 HB3 ASN A 128 5.876 -4.735 4.839 1.00 0.20 H new ATOM 0 HD21 ASN A 128 9.061 -3.483 2.556 1.00 0.26 H new ATOM 0 HD22 ASN A 128 7.458 -2.762 2.373 1.00 0.26 H new ATOM 1294 N GLU A 129 3.508 -2.606 4.701 1.00 0.13 N ATOM 1295 CA GLU A 129 2.168 -2.558 5.267 1.00 0.16 C ATOM 1296 C GLU A 129 1.133 -2.412 4.180 1.00 0.15 C ATOM 1297 O GLU A 129 0.321 -3.299 3.974 1.00 0.17 O ATOM 1298 CB GLU A 129 2.032 -1.383 6.238 1.00 0.23 C ATOM 1299 CG GLU A 129 2.745 -1.605 7.552 1.00 0.29 C ATOM 1300 CD GLU A 129 2.490 -0.502 8.566 1.00 0.60 C ATOM 1301 OE1 GLU A 129 1.339 -0.372 9.035 1.00 0.90 O ATOM 1302 OE2 GLU A 129 3.445 0.215 8.927 1.00 1.03 O ATOM 0 H GLU A 129 4.147 -1.906 5.079 1.00 0.13 H new ATOM 0 HA GLU A 129 2.004 -3.494 5.802 1.00 0.16 H new ATOM 0 HB2 GLU A 129 2.427 -0.484 5.766 1.00 0.23 H new ATOM 0 HB3 GLU A 129 0.975 -1.203 6.433 1.00 0.23 H new ATOM 0 HG2 GLU A 129 2.427 -2.558 7.974 1.00 0.29 H new ATOM 0 HG3 GLU A 129 3.817 -1.680 7.368 1.00 0.29 H new ATOM 1309 N LEU A 130 1.222 -1.307 3.466 1.00 0.14 N ATOM 1310 CA LEU A 130 0.280 -0.960 2.412 1.00 0.15 C ATOM 1311 C LEU A 130 0.094 -2.108 1.415 1.00 0.15 C ATOM 1312 O LEU A 130 -1.029 -2.418 1.023 1.00 0.18 O ATOM 1313 CB LEU A 130 0.800 0.292 1.715 1.00 0.17 C ATOM 1314 CG LEU A 130 -0.187 1.025 0.820 1.00 0.13 C ATOM 1315 CD1 LEU A 130 -1.512 1.242 1.541 1.00 0.12 C ATOM 1316 CD2 LEU A 130 0.418 2.355 0.409 1.00 0.12 C ATOM 0 H LEU A 130 1.958 -0.614 3.601 1.00 0.14 H new ATOM 0 HA LEU A 130 -0.702 -0.771 2.847 1.00 0.15 H new ATOM 0 HB2 LEU A 130 1.151 0.987 2.478 1.00 0.17 H new ATOM 0 HB3 LEU A 130 1.666 0.014 1.114 1.00 0.17 H new ATOM 0 HG LEU A 130 -0.387 0.423 -0.067 1.00 0.13 H new ATOM 0 HD11 LEU A 130 -2.203 1.768 0.882 1.00 0.12 H new ATOM 0 HD12 LEU A 130 -1.938 0.278 1.818 1.00 0.12 H new ATOM 0 HD13 LEU A 130 -1.344 1.836 2.439 1.00 0.12 H new ATOM 0 HD21 LEU A 130 -0.281 2.890 -0.234 1.00 0.12 H new ATOM 0 HD22 LEU A 130 0.623 2.952 1.298 1.00 0.12 H new ATOM 0 HD23 LEU A 130 1.347 2.180 -0.133 1.00 0.12 H new ATOM 1328 N CYS A 131 1.194 -2.749 1.033 1.00 0.14 N ATOM 1329 CA CYS A 131 1.144 -3.865 0.093 1.00 0.17 C ATOM 1330 C CYS A 131 0.400 -5.058 0.691 1.00 0.18 C ATOM 1331 O CYS A 131 -0.460 -5.658 0.040 1.00 0.21 O ATOM 1332 CB CYS A 131 2.566 -4.278 -0.307 1.00 0.20 C ATOM 1333 SG CYS A 131 2.642 -5.673 -1.458 1.00 0.53 S ATOM 0 H CYS A 131 2.132 -2.515 1.360 1.00 0.14 H new ATOM 0 HA CYS A 131 0.601 -3.538 -0.794 1.00 0.17 H new ATOM 0 HB2 CYS A 131 3.067 -3.422 -0.759 1.00 0.20 H new ATOM 0 HB3 CYS A 131 3.124 -4.535 0.594 1.00 0.20 H new ATOM 0 HG CYS A 131 3.848 -5.781 -1.930 1.00 0.53 H new ATOM 1339 N THR A 132 0.715 -5.395 1.935 1.00 0.19 N ATOM 1340 CA THR A 132 0.068 -6.515 2.603 1.00 0.23 C ATOM 1341 C THR A 132 -1.385 -6.171 2.892 1.00 0.21 C ATOM 1342 O THR A 132 -2.283 -6.997 2.754 1.00 0.22 O ATOM 1343 CB THR A 132 0.773 -6.852 3.925 1.00 0.28 C ATOM 1344 OG1 THR A 132 2.187 -6.967 3.714 1.00 0.32 O ATOM 1345 CG2 THR A 132 0.232 -8.150 4.503 1.00 0.36 C ATOM 0 H THR A 132 1.412 -4.910 2.500 1.00 0.19 H new ATOM 0 HA THR A 132 0.126 -7.380 1.943 1.00 0.23 H new ATOM 0 HB THR A 132 0.580 -6.046 4.633 1.00 0.28 H new ATOM 0 HG1 THR A 132 2.575 -6.074 3.602 1.00 0.32 H new ATOM 0 HG21 THR A 132 0.744 -8.372 5.439 1.00 0.36 H new ATOM 0 HG22 THR A 132 -0.837 -8.048 4.689 1.00 0.36 H new ATOM 0 HG23 THR A 132 0.401 -8.962 3.796 1.00 0.36 H new ATOM 1353 N VAL A 133 -1.583 -4.919 3.268 1.00 0.18 N ATOM 1354 CA VAL A 133 -2.888 -4.360 3.570 1.00 0.17 C ATOM 1355 C VAL A 133 -3.858 -4.613 2.427 1.00 0.18 C ATOM 1356 O VAL A 133 -5.025 -4.952 2.647 1.00 0.19 O ATOM 1357 CB VAL A 133 -2.746 -2.839 3.828 1.00 0.15 C ATOM 1358 CG1 VAL A 133 -4.043 -2.101 3.569 1.00 0.15 C ATOM 1359 CG2 VAL A 133 -2.250 -2.570 5.248 1.00 0.18 C ATOM 0 H VAL A 133 -0.822 -4.248 3.374 1.00 0.18 H new ATOM 0 HA VAL A 133 -3.285 -4.844 4.462 1.00 0.17 H new ATOM 0 HB VAL A 133 -2.005 -2.460 3.124 1.00 0.15 H new ATOM 0 HG11 VAL A 133 -3.901 -1.038 3.761 1.00 0.15 H new ATOM 0 HG12 VAL A 133 -4.343 -2.245 2.531 1.00 0.15 H new ATOM 0 HG13 VAL A 133 -4.820 -2.488 4.228 1.00 0.15 H new ATOM 0 HG21 VAL A 133 -2.159 -1.495 5.404 1.00 0.18 H new ATOM 0 HG22 VAL A 133 -2.960 -2.982 5.965 1.00 0.18 H new ATOM 0 HG23 VAL A 133 -1.277 -3.041 5.389 1.00 0.18 H new ATOM 1369 N LEU A 134 -3.356 -4.472 1.212 1.00 0.18 N ATOM 1370 CA LEU A 134 -4.159 -4.669 0.025 1.00 0.20 C ATOM 1371 C LEU A 134 -4.750 -6.070 -0.014 1.00 0.23 C ATOM 1372 O LEU A 134 -5.961 -6.231 -0.091 1.00 0.28 O ATOM 1373 CB LEU A 134 -3.301 -4.413 -1.212 1.00 0.19 C ATOM 1374 CG LEU A 134 -2.779 -2.982 -1.318 1.00 0.19 C ATOM 1375 CD1 LEU A 134 -1.787 -2.832 -2.453 1.00 0.21 C ATOM 1376 CD2 LEU A 134 -3.930 -2.024 -1.507 1.00 0.20 C ATOM 0 H LEU A 134 -2.386 -4.219 1.025 1.00 0.18 H new ATOM 0 HA LEU A 134 -4.990 -3.964 0.042 1.00 0.20 H new ATOM 0 HB2 LEU A 134 -2.454 -5.099 -1.203 1.00 0.19 H new ATOM 0 HB3 LEU A 134 -3.887 -4.642 -2.102 1.00 0.19 H new ATOM 0 HG LEU A 134 -2.260 -2.747 -0.389 1.00 0.19 H new ATOM 0 HD11 LEU A 134 -1.438 -1.800 -2.497 1.00 0.21 H new ATOM 0 HD12 LEU A 134 -0.939 -3.495 -2.285 1.00 0.21 H new ATOM 0 HD13 LEU A 134 -2.270 -3.092 -3.395 1.00 0.21 H new ATOM 0 HD21 LEU A 134 -3.548 -1.006 -1.582 1.00 0.20 H new ATOM 0 HD22 LEU A 134 -4.468 -2.277 -2.421 1.00 0.20 H new ATOM 0 HD23 LEU A 134 -4.607 -2.096 -0.656 1.00 0.20 H new ATOM 1388 N LYS A 135 -3.912 -7.083 0.109 1.00 0.25 N ATOM 1389 CA LYS A 135 -4.387 -8.454 -0.020 1.00 0.29 C ATOM 1390 C LYS A 135 -5.040 -8.947 1.255 1.00 0.30 C ATOM 1391 O LYS A 135 -5.942 -9.779 1.218 1.00 0.35 O ATOM 1392 CB LYS A 135 -3.257 -9.384 -0.421 1.00 0.33 C ATOM 1393 CG LYS A 135 -3.034 -9.440 -1.919 1.00 0.38 C ATOM 1394 CD LYS A 135 -4.254 -9.971 -2.658 1.00 0.45 C ATOM 1395 CE LYS A 135 -3.905 -10.255 -4.113 1.00 0.91 C ATOM 1396 NZ LYS A 135 -5.023 -10.876 -4.867 1.00 1.59 N ATOM 0 H LYS A 135 -2.914 -6.989 0.295 1.00 0.25 H new ATOM 0 HA LYS A 135 -5.142 -8.457 -0.806 1.00 0.29 H new ATOM 0 HB2 LYS A 135 -2.337 -9.059 0.065 1.00 0.33 H new ATOM 0 HB3 LYS A 135 -3.473 -10.387 -0.054 1.00 0.33 H new ATOM 0 HG2 LYS A 135 -2.793 -8.443 -2.287 1.00 0.38 H new ATOM 0 HG3 LYS A 135 -2.175 -10.075 -2.134 1.00 0.38 H new ATOM 0 HD2 LYS A 135 -4.611 -10.882 -2.178 1.00 0.45 H new ATOM 0 HD3 LYS A 135 -5.065 -9.244 -2.606 1.00 0.45 H new ATOM 0 HE2 LYS A 135 -3.618 -9.323 -4.601 1.00 0.91 H new ATOM 0 HE3 LYS A 135 -3.038 -10.914 -4.151 1.00 0.91 H new ATOM 0 HZ1 LYS A 135 -4.651 -11.624 -5.487 1.00 1.59 H new ATOM 0 HZ2 LYS A 135 -5.706 -11.288 -4.199 1.00 1.59 H new ATOM 0 HZ3 LYS A 135 -5.497 -10.152 -5.444 1.00 1.59 H new ATOM 1410 N ALA A 136 -4.584 -8.425 2.377 1.00 0.27 N ATOM 1411 CA ALA A 136 -5.092 -8.835 3.676 1.00 0.30 C ATOM 1412 C ALA A 136 -6.598 -8.645 3.769 1.00 0.31 C ATOM 1413 O ALA A 136 -7.295 -9.450 4.388 1.00 0.37 O ATOM 1414 CB ALA A 136 -4.407 -8.054 4.787 1.00 0.33 C ATOM 0 H ALA A 136 -3.857 -7.711 2.417 1.00 0.27 H new ATOM 0 HA ALA A 136 -4.872 -9.896 3.794 1.00 0.30 H new ATOM 0 HB1 ALA A 136 -4.800 -8.374 5.752 1.00 0.33 H new ATOM 0 HB2 ALA A 136 -3.333 -8.239 4.753 1.00 0.33 H new ATOM 0 HB3 ALA A 136 -4.597 -6.989 4.653 1.00 0.33 H new ATOM 1420 N HIS A 137 -7.105 -7.584 3.153 1.00 0.30 N ATOM 1421 CA HIS A 137 -8.505 -7.253 3.288 1.00 0.35 C ATOM 1422 C HIS A 137 -9.256 -7.337 1.963 1.00 0.35 C ATOM 1423 O HIS A 137 -10.482 -7.447 1.946 1.00 0.54 O ATOM 1424 CB HIS A 137 -8.655 -5.869 3.900 1.00 0.39 C ATOM 1425 CG HIS A 137 -7.812 -5.660 5.124 1.00 0.42 C ATOM 1426 ND1 HIS A 137 -8.092 -6.230 6.346 1.00 0.48 N ATOM 1427 CD2 HIS A 137 -6.662 -4.969 5.292 1.00 0.43 C ATOM 1428 CE1 HIS A 137 -7.151 -5.900 7.209 1.00 0.51 C ATOM 1429 NE2 HIS A 137 -6.272 -5.135 6.595 1.00 0.49 N ATOM 0 H HIS A 137 -6.569 -6.948 2.563 1.00 0.30 H new ATOM 0 HA HIS A 137 -8.952 -7.994 3.950 1.00 0.35 H new ATOM 0 HB2 HIS A 137 -8.390 -5.120 3.154 1.00 0.39 H new ATOM 0 HB3 HIS A 137 -9.702 -5.706 4.157 1.00 0.39 H new ATOM 0 HD2 HIS A 137 -6.146 -4.393 4.538 1.00 0.43 H new ATOM 0 HE1 HIS A 137 -7.108 -6.205 8.244 1.00 0.51 H new ATOM 0 HE2 HIS A 137 -5.437 -4.732 7.020 1.00 0.49 H new ATOM 1438 N SER A 138 -8.536 -7.293 0.856 1.00 0.31 N ATOM 1439 CA SER A 138 -9.175 -7.367 -0.446 1.00 0.33 C ATOM 1440 C SER A 138 -8.507 -8.394 -1.350 1.00 0.55 C ATOM 1441 O SER A 138 -7.314 -8.673 -1.242 1.00 1.05 O ATOM 1442 CB SER A 138 -9.199 -5.998 -1.129 1.00 0.38 C ATOM 1443 OG SER A 138 -7.918 -5.595 -1.557 1.00 1.00 O ATOM 0 H SER A 138 -7.520 -7.207 0.831 1.00 0.31 H new ATOM 0 HA SER A 138 -10.202 -7.690 -0.275 1.00 0.33 H new ATOM 0 HB2 SER A 138 -9.872 -6.033 -1.985 1.00 0.38 H new ATOM 0 HB3 SER A 138 -9.600 -5.256 -0.438 1.00 0.38 H new ATOM 0 HG SER A 138 -7.301 -5.602 -0.795 1.00 1.00 H new ATOM 1449 N ALA A 139 -9.324 -8.941 -2.233 1.00 0.38 N ATOM 1450 CA ALA A 139 -8.930 -9.966 -3.204 1.00 0.60 C ATOM 1451 C ALA A 139 -8.344 -11.205 -2.533 1.00 1.01 C ATOM 1452 O ALA A 139 -7.669 -12.012 -3.170 1.00 1.45 O ATOM 1453 CB ALA A 139 -7.966 -9.387 -4.222 1.00 1.41 C ATOM 0 H ALA A 139 -10.308 -8.682 -2.302 1.00 0.38 H new ATOM 0 HA ALA A 139 -9.833 -10.290 -3.722 1.00 0.60 H new ATOM 0 HB1 ALA A 139 -7.683 -10.160 -4.936 1.00 1.41 H new ATOM 0 HB2 ALA A 139 -8.446 -8.564 -4.751 1.00 1.41 H new ATOM 0 HB3 ALA A 139 -7.075 -9.020 -3.712 1.00 1.41 H new ATOM 1459 N LYS A 140 -8.607 -11.333 -1.243 1.00 1.55 N ATOM 1460 CA LYS A 140 -8.195 -12.490 -0.465 1.00 2.37 C ATOM 1461 C LYS A 140 -9.072 -12.562 0.783 1.00 2.97 C ATOM 1462 O LYS A 140 -8.768 -13.249 1.755 1.00 3.60 O ATOM 1463 CB LYS A 140 -6.706 -12.376 -0.101 1.00 2.91 C ATOM 1464 CG LYS A 140 -6.108 -13.622 0.540 1.00 3.65 C ATOM 1465 CD LYS A 140 -4.638 -13.417 0.869 1.00 4.31 C ATOM 1466 CE LYS A 140 -4.050 -14.612 1.600 1.00 5.16 C ATOM 1467 NZ LYS A 140 -4.699 -14.835 2.919 1.00 5.98 N ATOM 0 H LYS A 140 -9.115 -10.633 -0.703 1.00 1.55 H new ATOM 0 HA LYS A 140 -8.319 -13.406 -1.043 1.00 2.37 H new ATOM 0 HB2 LYS A 140 -6.142 -12.143 -1.004 1.00 2.91 H new ATOM 0 HB3 LYS A 140 -6.576 -11.536 0.581 1.00 2.91 H new ATOM 0 HG2 LYS A 140 -6.657 -13.866 1.450 1.00 3.65 H new ATOM 0 HG3 LYS A 140 -6.218 -14.470 -0.135 1.00 3.65 H new ATOM 0 HD2 LYS A 140 -4.080 -13.244 -0.052 1.00 4.31 H new ATOM 0 HD3 LYS A 140 -4.524 -12.524 1.483 1.00 4.31 H new ATOM 0 HE2 LYS A 140 -4.164 -15.505 0.985 1.00 5.16 H new ATOM 0 HE3 LYS A 140 -2.981 -14.458 1.744 1.00 5.16 H new ATOM 0 HZ1 LYS A 140 -4.116 -15.482 3.488 1.00 5.98 H new ATOM 0 HZ2 LYS A 140 -4.795 -13.927 3.417 1.00 5.98 H new ATOM 0 HZ3 LYS A 140 -5.641 -15.253 2.776 1.00 5.98 H new ATOM 1481 N LYS A 141 -10.184 -11.832 0.724 1.00 3.06 N ATOM 1482 CA LYS A 141 -11.135 -11.773 1.816 1.00 3.93 C ATOM 1483 C LYS A 141 -11.955 -13.057 1.860 1.00 4.23 C ATOM 1484 O LYS A 141 -12.361 -13.517 2.928 1.00 4.43 O ATOM 1485 CB LYS A 141 -12.042 -10.557 1.624 1.00 4.13 C ATOM 1486 CG LYS A 141 -13.279 -10.568 2.502 1.00 5.03 C ATOM 1487 CD LYS A 141 -14.200 -9.394 2.203 1.00 5.51 C ATOM 1488 CE LYS A 141 -13.586 -8.064 2.617 1.00 6.31 C ATOM 1489 NZ LYS A 141 -13.380 -7.973 4.088 1.00 6.50 N ATOM 0 H LYS A 141 -10.445 -11.268 -0.085 1.00 3.06 H new ATOM 0 HA LYS A 141 -10.606 -11.675 2.764 1.00 3.93 H new ATOM 0 HB2 LYS A 141 -11.470 -9.653 1.831 1.00 4.13 H new ATOM 0 HB3 LYS A 141 -12.350 -10.507 0.580 1.00 4.13 H new ATOM 0 HG2 LYS A 141 -13.821 -11.502 2.353 1.00 5.03 H new ATOM 0 HG3 LYS A 141 -12.980 -10.537 3.550 1.00 5.03 H new ATOM 0 HD2 LYS A 141 -14.425 -9.373 1.137 1.00 5.51 H new ATOM 0 HD3 LYS A 141 -15.146 -9.534 2.725 1.00 5.51 H new ATOM 0 HE2 LYS A 141 -12.630 -7.933 2.109 1.00 6.31 H new ATOM 0 HE3 LYS A 141 -14.234 -7.250 2.292 1.00 6.31 H new ATOM 0 HZ1 LYS A 141 -13.188 -6.985 4.351 1.00 6.50 H new ATOM 0 HZ2 LYS A 141 -14.235 -8.303 4.579 1.00 6.50 H new ATOM 0 HZ3 LYS A 141 -12.572 -8.567 4.363 1.00 6.50 H new ATOM 1503 N LYS A 142 -12.196 -13.626 0.686 1.00 4.72 N ATOM 1504 CA LYS A 142 -12.906 -14.877 0.568 1.00 5.36 C ATOM 1505 C LYS A 142 -12.045 -16.053 1.036 1.00 5.84 C ATOM 1506 O LYS A 142 -11.440 -16.764 0.233 1.00 6.44 O ATOM 1507 CB LYS A 142 -13.335 -15.050 -0.882 1.00 6.09 C ATOM 1508 CG LYS A 142 -12.214 -14.781 -1.877 1.00 6.27 C ATOM 1509 CD LYS A 142 -12.756 -14.417 -3.239 1.00 6.25 C ATOM 1510 CE LYS A 142 -13.576 -15.548 -3.834 1.00 7.00 C ATOM 1511 NZ LYS A 142 -14.088 -15.217 -5.189 1.00 7.51 N ATOM 0 H LYS A 142 -11.902 -13.228 -0.206 1.00 4.72 H new ATOM 0 HA LYS A 142 -13.786 -14.860 1.212 1.00 5.36 H new ATOM 0 HB2 LYS A 142 -13.704 -16.066 -1.026 1.00 6.09 H new ATOM 0 HB3 LYS A 142 -14.166 -14.377 -1.091 1.00 6.09 H new ATOM 0 HG2 LYS A 142 -11.585 -13.972 -1.507 1.00 6.27 H new ATOM 0 HG3 LYS A 142 -11.581 -15.664 -1.961 1.00 6.27 H new ATOM 0 HD2 LYS A 142 -13.373 -13.522 -3.158 1.00 6.25 H new ATOM 0 HD3 LYS A 142 -11.930 -14.175 -3.907 1.00 6.25 H new ATOM 0 HE2 LYS A 142 -12.964 -16.448 -3.889 1.00 7.00 H new ATOM 0 HE3 LYS A 142 -14.415 -15.772 -3.175 1.00 7.00 H new ATOM 0 HZ1 LYS A 142 -14.642 -16.017 -5.556 1.00 7.51 H new ATOM 0 HZ2 LYS A 142 -14.693 -14.373 -5.135 1.00 7.51 H new ATOM 0 HZ3 LYS A 142 -13.288 -15.029 -5.826 1.00 7.51 H new ATOM 1525 N LEU A 143 -11.976 -16.227 2.348 1.00 5.94 N ATOM 1526 CA LEU A 143 -11.289 -17.360 2.936 1.00 6.75 C ATOM 1527 C LEU A 143 -11.978 -18.655 2.527 1.00 7.48 C ATOM 1528 O LEU A 143 -11.341 -19.702 2.383 1.00 8.28 O ATOM 1529 CB LEU A 143 -11.267 -17.234 4.460 1.00 7.07 C ATOM 1530 CG LEU A 143 -10.605 -15.967 5.007 1.00 7.20 C ATOM 1531 CD1 LEU A 143 -10.703 -15.930 6.523 1.00 7.67 C ATOM 1532 CD2 LEU A 143 -9.150 -15.894 4.571 1.00 7.50 C ATOM 0 H LEU A 143 -12.392 -15.590 3.027 1.00 5.94 H new ATOM 0 HA LEU A 143 -10.261 -17.375 2.573 1.00 6.75 H new ATOM 0 HB2 LEU A 143 -12.293 -17.273 4.825 1.00 7.07 H new ATOM 0 HB3 LEU A 143 -10.749 -18.100 4.871 1.00 7.07 H new ATOM 0 HG LEU A 143 -11.131 -15.102 4.602 1.00 7.20 H new ATOM 0 HD11 LEU A 143 -10.228 -15.023 6.896 1.00 7.67 H new ATOM 0 HD12 LEU A 143 -11.752 -15.939 6.820 1.00 7.67 H new ATOM 0 HD13 LEU A 143 -10.200 -16.802 6.941 1.00 7.67 H new ATOM 0 HD21 LEU A 143 -8.696 -14.987 4.969 1.00 7.50 H new ATOM 0 HD22 LEU A 143 -8.613 -16.764 4.948 1.00 7.50 H new ATOM 0 HD23 LEU A 143 -9.097 -15.879 3.482 1.00 7.50 H new ATOM 1544 N ASN A 144 -13.287 -18.566 2.340 1.00 7.45 N ATOM 1545 CA ASN A 144 -14.086 -19.683 1.902 1.00 8.37 C ATOM 1546 C ASN A 144 -14.311 -19.578 0.404 1.00 8.41 C ATOM 1547 O ASN A 144 -13.706 -20.367 -0.350 1.00 8.66 O ATOM 1548 CB ASN A 144 -15.437 -19.696 2.620 1.00 8.96 C ATOM 1549 CG ASN A 144 -15.309 -19.609 4.125 1.00 9.14 C ATOM 1550 OD1 ASN A 144 -15.165 -20.623 4.809 1.00 9.67 O ATOM 1551 ND2 ASN A 144 -15.375 -18.394 4.649 1.00 8.96 N ATOM 1552 OXT ASN A 144 -15.066 -18.677 -0.013 1.00 8.44 O ATOM 0 H ASN A 144 -13.820 -17.709 2.491 1.00 7.45 H new ATOM 0 HA ASN A 144 -13.558 -20.607 2.138 1.00 8.37 H new ATOM 0 HB2 ASN A 144 -16.039 -18.860 2.263 1.00 8.96 H new ATOM 0 HB3 ASN A 144 -15.972 -20.609 2.359 1.00 8.96 H new ATOM 0 HD21 ASN A 144 -15.306 -18.270 5.659 1.00 8.96 H new ATOM 0 HD22 ASN A 144 -15.495 -17.583 4.042 1.00 8.96 H new TER 1559 ASN A 144 ATOM 1560 N GLY B 22 2.150 -21.696 5.145 1.00 6.31 N ATOM 1561 CA GLY B 22 1.929 -20.273 5.504 1.00 6.12 C ATOM 1562 C GLY B 22 2.562 -19.319 4.515 1.00 5.43 C ATOM 1563 O GLY B 22 1.862 -18.596 3.803 1.00 5.38 O ATOM 0 HA2 GLY B 22 0.858 -20.078 5.557 1.00 6.12 H new ATOM 0 HA3 GLY B 22 2.337 -20.085 6.497 1.00 6.12 H new ATOM 1569 N SER B 23 3.889 -19.330 4.453 1.00 5.22 N ATOM 1570 CA SER B 23 4.633 -18.421 3.593 1.00 4.79 C ATOM 1571 C SER B 23 4.591 -18.860 2.131 1.00 4.18 C ATOM 1572 O SER B 23 5.626 -19.116 1.514 1.00 4.62 O ATOM 1573 CB SER B 23 6.085 -18.320 4.060 1.00 5.71 C ATOM 1574 OG SER B 23 6.169 -17.808 5.380 1.00 6.30 O ATOM 0 H SER B 23 4.475 -19.966 4.994 1.00 5.22 H new ATOM 0 HA SER B 23 4.157 -17.443 3.664 1.00 4.79 H new ATOM 0 HB2 SER B 23 6.551 -19.304 4.019 1.00 5.71 H new ATOM 0 HB3 SER B 23 6.643 -17.675 3.382 1.00 5.71 H new ATOM 0 HG SER B 23 7.109 -17.757 5.652 1.00 6.30 H new ATOM 1580 N GLN B 24 3.389 -18.960 1.587 1.00 3.65 N ATOM 1581 CA GLN B 24 3.217 -19.174 0.160 1.00 3.63 C ATOM 1582 C GLN B 24 3.204 -17.825 -0.535 1.00 2.91 C ATOM 1583 O GLN B 24 3.374 -17.725 -1.752 1.00 3.33 O ATOM 1584 CB GLN B 24 1.931 -19.948 -0.122 1.00 4.12 C ATOM 1585 CG GLN B 24 1.974 -21.375 0.382 1.00 4.90 C ATOM 1586 CD GLN B 24 3.120 -22.169 -0.225 1.00 5.51 C ATOM 1587 OE1 GLN B 24 2.972 -22.792 -1.275 1.00 5.87 O ATOM 1588 NE2 GLN B 24 4.271 -22.148 0.431 1.00 6.00 N ATOM 0 H GLN B 24 2.517 -18.896 2.113 1.00 3.65 H new ATOM 0 HA GLN B 24 4.044 -19.772 -0.223 1.00 3.63 H new ATOM 0 HB2 GLN B 24 1.093 -19.430 0.343 1.00 4.12 H new ATOM 0 HB3 GLN B 24 1.746 -19.954 -1.196 1.00 4.12 H new ATOM 0 HG2 GLN B 24 2.073 -21.371 1.468 1.00 4.90 H new ATOM 0 HG3 GLN B 24 1.030 -21.868 0.149 1.00 4.90 H new ATOM 0 HE21 GLN B 24 4.354 -21.619 1.299 1.00 6.00 H new ATOM 0 HE22 GLN B 24 5.074 -22.661 0.068 1.00 6.00 H new ATOM 1597 N GLU B 25 2.985 -16.794 0.269 1.00 2.35 N ATOM 1598 CA GLU B 25 3.111 -15.422 -0.159 1.00 2.01 C ATOM 1599 C GLU B 25 3.652 -14.607 1.002 1.00 1.56 C ATOM 1600 O GLU B 25 3.213 -14.770 2.143 1.00 1.77 O ATOM 1601 CB GLU B 25 1.769 -14.857 -0.615 1.00 2.30 C ATOM 1602 CG GLU B 25 1.872 -13.450 -1.172 1.00 2.88 C ATOM 1603 CD GLU B 25 0.523 -12.819 -1.445 1.00 3.50 C ATOM 1604 OE1 GLU B 25 -0.203 -13.330 -2.326 1.00 3.84 O ATOM 1605 OE2 GLU B 25 0.179 -11.829 -0.773 1.00 4.06 O ATOM 0 H GLU B 25 2.712 -16.896 1.247 1.00 2.35 H new ATOM 0 HA GLU B 25 3.792 -15.373 -1.009 1.00 2.01 H new ATOM 0 HB2 GLU B 25 1.346 -15.512 -1.376 1.00 2.30 H new ATOM 0 HB3 GLU B 25 1.077 -14.858 0.227 1.00 2.30 H new ATOM 0 HG2 GLU B 25 2.422 -12.826 -0.468 1.00 2.88 H new ATOM 0 HG3 GLU B 25 2.449 -13.473 -2.096 1.00 2.88 H new ATOM 1612 N ASP B 26 4.612 -13.759 0.714 1.00 1.15 N ATOM 1613 CA ASP B 26 5.241 -12.936 1.734 1.00 0.84 C ATOM 1614 C ASP B 26 4.487 -11.626 1.885 1.00 0.89 C ATOM 1615 O ASP B 26 3.805 -11.180 0.963 1.00 1.83 O ATOM 1616 CB ASP B 26 6.703 -12.652 1.372 1.00 0.68 C ATOM 1617 CG ASP B 26 7.609 -13.856 1.549 1.00 1.00 C ATOM 1618 OD1 ASP B 26 7.551 -14.783 0.711 1.00 1.49 O ATOM 1619 OD2 ASP B 26 8.401 -13.870 2.515 1.00 1.27 O ATOM 0 H ASP B 26 4.981 -13.617 -0.226 1.00 1.15 H new ATOM 0 HA ASP B 26 5.213 -13.479 2.679 1.00 0.84 H new ATOM 0 HB2 ASP B 26 6.755 -12.316 0.336 1.00 0.68 H new ATOM 0 HB3 ASP B 26 7.071 -11.834 1.992 1.00 0.68 H new ATOM 1624 N SER B 27 4.588 -11.026 3.057 1.00 0.55 N ATOM 1625 CA SER B 27 3.951 -9.755 3.310 1.00 0.54 C ATOM 1626 C SER B 27 4.958 -8.617 3.217 1.00 0.44 C ATOM 1627 O SER B 27 5.113 -7.981 2.175 1.00 0.53 O ATOM 1628 CB SER B 27 3.286 -9.778 4.683 1.00 0.75 C ATOM 1629 OG SER B 27 2.391 -10.875 4.801 1.00 1.37 O ATOM 0 H SER B 27 5.108 -11.404 3.849 1.00 0.55 H new ATOM 0 HA SER B 27 3.188 -9.586 2.550 1.00 0.54 H new ATOM 0 HB2 SER B 27 4.049 -9.842 5.459 1.00 0.75 H new ATOM 0 HB3 SER B 27 2.746 -8.845 4.844 1.00 0.75 H new ATOM 0 HG SER B 27 1.980 -10.867 5.690 1.00 1.37 H new ATOM 1635 N ASP B 28 5.656 -8.394 4.305 1.00 0.43 N ATOM 1636 CA ASP B 28 6.656 -7.341 4.383 1.00 0.37 C ATOM 1637 C ASP B 28 7.977 -7.821 3.793 1.00 0.33 C ATOM 1638 O ASP B 28 8.674 -7.079 3.100 1.00 0.31 O ATOM 1639 CB ASP B 28 6.839 -6.890 5.846 1.00 0.44 C ATOM 1640 CG ASP B 28 7.215 -8.026 6.778 1.00 0.95 C ATOM 1641 OD1 ASP B 28 6.357 -8.883 7.063 1.00 1.07 O ATOM 1642 OD2 ASP B 28 8.385 -8.071 7.220 1.00 1.83 O ATOM 0 H ASP B 28 5.551 -8.934 5.164 1.00 0.43 H new ATOM 0 HA ASP B 28 6.315 -6.485 3.800 1.00 0.37 H new ATOM 0 HB2 ASP B 28 7.612 -6.122 5.889 1.00 0.44 H new ATOM 0 HB3 ASP B 28 5.914 -6.432 6.197 1.00 0.44 H new ATOM 1647 N SER B 29 8.277 -9.089 4.011 1.00 0.36 N ATOM 1648 CA SER B 29 9.553 -9.655 3.611 1.00 0.34 C ATOM 1649 C SER B 29 9.744 -9.667 2.101 1.00 0.33 C ATOM 1650 O SER B 29 10.874 -9.670 1.614 1.00 0.34 O ATOM 1651 CB SER B 29 9.672 -11.060 4.169 1.00 0.39 C ATOM 1652 OG SER B 29 8.446 -11.761 4.038 1.00 1.07 O ATOM 0 H SER B 29 7.649 -9.751 4.467 1.00 0.36 H new ATOM 0 HA SER B 29 10.340 -9.020 4.018 1.00 0.34 H new ATOM 0 HB2 SER B 29 10.461 -11.598 3.645 1.00 0.39 H new ATOM 0 HB3 SER B 29 9.960 -11.016 5.219 1.00 0.39 H new ATOM 0 HG SER B 29 8.621 -12.666 3.706 1.00 1.07 H new ATOM 1658 N GLU B 30 8.643 -9.660 1.368 1.00 0.35 N ATOM 1659 CA GLU B 30 8.694 -9.690 -0.092 1.00 0.37 C ATOM 1660 C GLU B 30 9.426 -8.473 -0.632 1.00 0.34 C ATOM 1661 O GLU B 30 10.091 -8.530 -1.667 1.00 0.39 O ATOM 1662 CB GLU B 30 7.302 -9.755 -0.692 1.00 0.45 C ATOM 1663 CG GLU B 30 7.345 -9.921 -2.191 1.00 0.68 C ATOM 1664 CD GLU B 30 6.154 -10.658 -2.764 1.00 1.37 C ATOM 1665 OE1 GLU B 30 5.791 -11.725 -2.219 1.00 1.57 O ATOM 1666 OE2 GLU B 30 5.549 -10.157 -3.734 1.00 2.33 O ATOM 0 H GLU B 30 7.700 -9.634 1.756 1.00 0.35 H new ATOM 0 HA GLU B 30 9.238 -10.590 -0.379 1.00 0.37 H new ATOM 0 HB2 GLU B 30 6.754 -10.587 -0.250 1.00 0.45 H new ATOM 0 HB3 GLU B 30 6.756 -8.845 -0.443 1.00 0.45 H new ATOM 0 HG2 GLU B 30 7.406 -8.936 -2.654 1.00 0.68 H new ATOM 0 HG3 GLU B 30 8.255 -10.457 -2.461 1.00 0.68 H new ATOM 1673 N LEU B 31 9.302 -7.378 0.084 1.00 0.28 N ATOM 1674 CA LEU B 31 9.992 -6.158 -0.252 1.00 0.24 C ATOM 1675 C LEU B 31 11.458 -6.321 0.071 1.00 0.25 C ATOM 1676 O LEU B 31 12.340 -6.102 -0.758 1.00 0.26 O ATOM 1677 CB LEU B 31 9.459 -5.013 0.573 1.00 0.20 C ATOM 1678 CG LEU B 31 8.041 -4.526 0.276 1.00 0.20 C ATOM 1679 CD1 LEU B 31 7.944 -3.922 -1.106 1.00 0.19 C ATOM 1680 CD2 LEU B 31 7.029 -5.632 0.463 1.00 0.24 C ATOM 0 H LEU B 31 8.718 -7.311 0.917 1.00 0.28 H new ATOM 0 HA LEU B 31 9.844 -5.950 -1.312 1.00 0.24 H new ATOM 0 HB2 LEU B 31 9.500 -5.307 1.622 1.00 0.20 H new ATOM 0 HB3 LEU B 31 10.137 -4.168 0.452 1.00 0.20 H new ATOM 0 HG LEU B 31 7.807 -3.741 0.995 1.00 0.20 H new ATOM 0 HD11 LEU B 31 6.923 -3.586 -1.285 1.00 0.19 H new ATOM 0 HD12 LEU B 31 8.624 -3.073 -1.181 1.00 0.19 H new ATOM 0 HD13 LEU B 31 8.215 -4.671 -1.850 1.00 0.19 H new ATOM 0 HD21 LEU B 31 6.031 -5.253 0.244 1.00 0.24 H new ATOM 0 HD22 LEU B 31 7.261 -6.455 -0.213 1.00 0.24 H new ATOM 0 HD23 LEU B 31 7.064 -5.987 1.493 1.00 0.24 H new ATOM 1692 N GLU B 32 11.670 -6.732 1.309 1.00 0.26 N ATOM 1693 CA GLU B 32 13.000 -6.914 1.890 1.00 0.29 C ATOM 1694 C GLU B 32 13.897 -7.779 1.018 1.00 0.33 C ATOM 1695 O GLU B 32 15.123 -7.692 1.098 1.00 0.38 O ATOM 1696 CB GLU B 32 12.896 -7.558 3.270 1.00 0.29 C ATOM 1697 CG GLU B 32 11.763 -7.032 4.132 1.00 0.26 C ATOM 1698 CD GLU B 32 11.881 -7.509 5.566 1.00 0.34 C ATOM 1699 OE1 GLU B 32 11.578 -8.691 5.830 1.00 0.59 O ATOM 1700 OE2 GLU B 32 12.238 -6.691 6.441 1.00 0.47 O ATOM 0 H GLU B 32 10.913 -6.954 1.955 1.00 0.26 H new ATOM 0 HA GLU B 32 13.444 -5.922 1.966 1.00 0.29 H new ATOM 0 HB2 GLU B 32 12.770 -8.634 3.145 1.00 0.29 H new ATOM 0 HB3 GLU B 32 13.837 -7.406 3.799 1.00 0.29 H new ATOM 0 HG2 GLU B 32 11.765 -5.942 4.110 1.00 0.26 H new ATOM 0 HG3 GLU B 32 10.809 -7.358 3.718 1.00 0.26 H new ATOM 1707 N GLN B 33 13.272 -8.616 0.207 1.00 0.35 N ATOM 1708 CA GLN B 33 13.981 -9.520 -0.696 1.00 0.40 C ATOM 1709 C GLN B 33 15.024 -8.774 -1.511 1.00 0.39 C ATOM 1710 O GLN B 33 16.177 -9.200 -1.610 1.00 0.48 O ATOM 1711 CB GLN B 33 13.007 -10.190 -1.653 1.00 0.43 C ATOM 1712 CG GLN B 33 11.877 -10.922 -0.975 1.00 0.47 C ATOM 1713 CD GLN B 33 12.335 -12.114 -0.163 1.00 0.57 C ATOM 1714 OE1 GLN B 33 12.456 -13.225 -0.682 1.00 0.66 O ATOM 1715 NE2 GLN B 33 12.559 -11.900 1.119 1.00 0.57 N ATOM 0 H GLN B 33 12.256 -8.691 0.153 1.00 0.35 H new ATOM 0 HA GLN B 33 14.475 -10.272 -0.080 1.00 0.40 H new ATOM 0 HB2 GLN B 33 12.588 -9.433 -2.316 1.00 0.43 H new ATOM 0 HB3 GLN B 33 13.556 -10.893 -2.279 1.00 0.43 H new ATOM 0 HG2 GLN B 33 11.345 -10.230 -0.322 1.00 0.47 H new ATOM 0 HG3 GLN B 33 11.166 -11.258 -1.730 1.00 0.47 H new ATOM 0 HE21 GLN B 33 12.447 -10.963 1.507 1.00 0.57 H new ATOM 0 HE22 GLN B 33 12.845 -12.671 1.722 1.00 0.57 H new ATOM 1724 N TYR B 34 14.614 -7.658 -2.089 1.00 0.32 N ATOM 1725 CA TYR B 34 15.484 -6.900 -2.966 1.00 0.32 C ATOM 1726 C TYR B 34 15.744 -5.477 -2.467 1.00 0.30 C ATOM 1727 O TYR B 34 16.727 -4.854 -2.871 1.00 0.37 O ATOM 1728 CB TYR B 34 14.913 -6.870 -4.386 1.00 0.32 C ATOM 1729 CG TYR B 34 13.399 -6.920 -4.476 1.00 0.30 C ATOM 1730 CD1 TYR B 34 12.596 -6.127 -3.669 1.00 0.26 C ATOM 1731 CD2 TYR B 34 12.775 -7.755 -5.393 1.00 0.38 C ATOM 1732 CE1 TYR B 34 11.230 -6.165 -3.765 1.00 0.26 C ATOM 1733 CE2 TYR B 34 11.397 -7.799 -5.496 1.00 0.42 C ATOM 1734 CZ TYR B 34 10.628 -7.001 -4.677 1.00 0.34 C ATOM 1735 OH TYR B 34 9.257 -7.040 -4.774 1.00 0.40 O ATOM 0 H TYR B 34 13.684 -7.258 -1.966 1.00 0.32 H new ATOM 0 HA TYR B 34 16.447 -7.411 -2.970 1.00 0.32 H new ATOM 0 HB2 TYR B 34 15.260 -5.963 -4.881 1.00 0.32 H new ATOM 0 HB3 TYR B 34 15.322 -7.713 -4.943 1.00 0.32 H new ATOM 0 HD1 TYR B 34 13.057 -5.466 -2.950 1.00 0.26 H new ATOM 0 HD2 TYR B 34 13.376 -8.380 -6.036 1.00 0.38 H new ATOM 0 HE1 TYR B 34 10.626 -5.539 -3.125 1.00 0.26 H new ATOM 0 HE2 TYR B 34 10.926 -8.455 -6.214 1.00 0.42 H new ATOM 0 HH TYR B 34 8.878 -6.227 -4.379 1.00 0.40 H new ATOM 1745 N PHE B 35 14.885 -4.953 -1.596 1.00 0.27 N ATOM 1746 CA PHE B 35 15.072 -3.591 -1.116 1.00 0.26 C ATOM 1747 C PHE B 35 14.466 -3.367 0.262 1.00 0.25 C ATOM 1748 O PHE B 35 13.464 -3.974 0.615 1.00 0.25 O ATOM 1749 CB PHE B 35 14.508 -2.569 -2.115 1.00 0.25 C ATOM 1750 CG PHE B 35 13.075 -2.760 -2.525 1.00 0.21 C ATOM 1751 CD1 PHE B 35 12.059 -2.744 -1.594 1.00 0.18 C ATOM 1752 CD2 PHE B 35 12.749 -2.932 -3.861 1.00 0.22 C ATOM 1753 CE1 PHE B 35 10.753 -2.898 -1.971 1.00 0.16 C ATOM 1754 CE2 PHE B 35 11.435 -3.091 -4.250 1.00 0.21 C ATOM 1755 CZ PHE B 35 10.433 -3.075 -3.301 1.00 0.18 C ATOM 0 H PHE B 35 14.072 -5.439 -1.217 1.00 0.27 H new ATOM 0 HA PHE B 35 16.148 -3.443 -1.026 1.00 0.26 H new ATOM 0 HB2 PHE B 35 14.610 -1.574 -1.681 1.00 0.25 H new ATOM 0 HB3 PHE B 35 15.126 -2.590 -3.012 1.00 0.25 H new ATOM 0 HD1 PHE B 35 12.298 -2.608 -0.550 1.00 0.18 H new ATOM 0 HD2 PHE B 35 13.532 -2.942 -4.605 1.00 0.22 H new ATOM 0 HE1 PHE B 35 9.971 -2.881 -1.226 1.00 0.16 H new ATOM 0 HE2 PHE B 35 11.191 -3.227 -5.293 1.00 0.21 H new ATOM 0 HZ PHE B 35 9.402 -3.201 -3.599 1.00 0.18 H new ATOM 1765 N THR B 36 15.112 -2.497 1.031 1.00 0.27 N ATOM 1766 CA THR B 36 14.613 -2.035 2.326 1.00 0.27 C ATOM 1767 C THR B 36 15.463 -0.868 2.829 1.00 0.32 C ATOM 1768 O THR B 36 16.225 -0.282 2.061 1.00 0.45 O ATOM 1769 CB THR B 36 14.574 -3.166 3.376 1.00 0.27 C ATOM 1770 OG1 THR B 36 15.509 -4.196 3.035 1.00 0.31 O ATOM 1771 CG2 THR B 36 13.177 -3.742 3.458 1.00 0.27 C ATOM 0 H THR B 36 16.009 -2.086 0.771 1.00 0.27 H new ATOM 0 HA THR B 36 13.586 -1.699 2.180 1.00 0.27 H new ATOM 0 HB THR B 36 14.849 -2.754 4.347 1.00 0.27 H new ATOM 0 HG1 THR B 36 15.475 -4.906 3.710 1.00 0.31 H new ATOM 0 HG21 THR B 36 13.155 -4.540 4.200 1.00 0.27 H new ATOM 0 HG22 THR B 36 12.477 -2.958 3.747 1.00 0.27 H new ATOM 0 HG23 THR B 36 12.891 -4.143 2.486 1.00 0.27 H new ATOM 1779 N ALA B 37 15.319 -0.515 4.100 1.00 0.32 N ATOM 1780 CA ALA B 37 16.048 0.617 4.667 1.00 0.35 C ATOM 1781 C ALA B 37 16.721 0.222 5.971 1.00 0.43 C ATOM 1782 O ALA B 37 16.851 -0.966 6.267 1.00 0.53 O ATOM 1783 CB ALA B 37 15.112 1.793 4.900 1.00 0.29 C ATOM 0 H ALA B 37 14.705 -0.994 4.759 1.00 0.32 H new ATOM 0 HA ALA B 37 16.816 0.916 3.954 1.00 0.35 H new ATOM 0 HB1 ALA B 37 15.673 2.626 5.323 1.00 0.29 H new ATOM 0 HB2 ALA B 37 14.668 2.098 3.952 1.00 0.29 H new ATOM 0 HB3 ALA B 37 14.323 1.499 5.592 1.00 0.29 H new ATOM 1789 N ARG B 38 17.133 1.220 6.748 1.00 0.44 N ATOM 1790 CA ARG B 38 17.809 0.978 8.015 1.00 0.52 C ATOM 1791 C ARG B 38 16.905 0.205 8.977 1.00 0.56 C ATOM 1792 O ARG B 38 17.353 -0.735 9.633 1.00 0.67 O ATOM 1793 CB ARG B 38 18.261 2.301 8.656 1.00 0.57 C ATOM 1794 CG ARG B 38 17.164 3.017 9.427 1.00 0.67 C ATOM 1795 CD ARG B 38 16.830 4.366 8.840 1.00 0.93 C ATOM 1796 NE ARG B 38 17.886 5.350 9.062 1.00 1.60 N ATOM 1797 CZ ARG B 38 18.097 5.973 10.224 1.00 2.28 C ATOM 1798 NH1 ARG B 38 17.381 5.656 11.299 1.00 2.75 N ATOM 1799 NH2 ARG B 38 19.038 6.901 10.310 1.00 2.94 N ATOM 0 H ARG B 38 17.009 2.206 6.520 1.00 0.44 H new ATOM 0 HA ARG B 38 18.693 0.373 7.811 1.00 0.52 H new ATOM 0 HB2 ARG B 38 19.094 2.101 9.330 1.00 0.57 H new ATOM 0 HB3 ARG B 38 18.634 2.963 7.875 1.00 0.57 H new ATOM 0 HG2 ARG B 38 16.268 2.397 9.437 1.00 0.67 H new ATOM 0 HG3 ARG B 38 17.476 3.143 10.464 1.00 0.67 H new ATOM 0 HD2 ARG B 38 16.656 4.260 7.769 1.00 0.93 H new ATOM 0 HD3 ARG B 38 15.901 4.730 9.279 1.00 0.93 H new ATOM 0 HE ARG B 38 18.501 5.576 8.280 1.00 1.60 H new ATOM 0 HH11 ARG B 38 16.665 4.932 11.239 1.00 2.75 H new ATOM 0 HH12 ARG B 38 17.548 6.137 12.183 1.00 2.75 H new ATOM 0 HH21 ARG B 38 19.598 7.137 9.491 1.00 2.94 H new ATOM 0 HH22 ARG B 38 19.203 7.380 11.196 1.00 2.94 H new ATOM 1813 N TRP B 39 15.630 0.601 9.013 1.00 0.54 N ATOM 1814 CA TRP B 39 14.631 -0.004 9.885 1.00 0.64 C ATOM 1815 C TRP B 39 15.102 -0.054 11.339 1.00 0.85 C ATOM 1816 O TRP B 39 15.033 0.998 12.016 1.00 1.41 O ATOM 1817 CB TRP B 39 14.265 -1.389 9.347 1.00 0.60 C ATOM 1818 CG TRP B 39 13.528 -1.301 8.057 1.00 0.43 C ATOM 1819 CD1 TRP B 39 13.682 -0.355 7.098 1.00 0.34 C ATOM 1820 CD2 TRP B 39 12.518 -2.184 7.593 1.00 0.35 C ATOM 1821 NE1 TRP B 39 12.811 -0.582 6.064 1.00 0.23 N ATOM 1822 CE2 TRP B 39 12.088 -1.710 6.344 1.00 0.23 C ATOM 1823 CE3 TRP B 39 11.933 -3.325 8.115 1.00 0.40 C ATOM 1824 CZ2 TRP B 39 11.093 -2.344 5.614 1.00 0.21 C ATOM 1825 CZ3 TRP B 39 10.952 -3.951 7.387 1.00 0.33 C ATOM 1826 CH2 TRP B 39 10.540 -3.461 6.149 1.00 0.25 C ATOM 1827 OXT TRP B 39 15.531 -1.127 11.804 1.00 1.45 O ATOM 0 H TRP B 39 15.264 1.356 8.433 1.00 0.54 H new ATOM 0 HA TRP B 39 13.735 0.617 9.884 1.00 0.64 H new ATOM 0 HB2 TRP B 39 15.172 -1.977 9.208 1.00 0.60 H new ATOM 0 HB3 TRP B 39 13.653 -1.914 10.080 1.00 0.60 H new ATOM 0 HD1 TRP B 39 14.389 0.460 7.142 1.00 0.34 H new ATOM 0 HE1 TRP B 39 12.717 -0.007 5.227 1.00 0.23 H new ATOM 0 HE3 TRP B 39 12.242 -3.714 9.074 1.00 0.40 H new ATOM 0 HZ2 TRP B 39 10.771 -1.963 4.656 1.00 0.21 H new ATOM 0 HZ3 TRP B 39 10.489 -4.843 7.782 1.00 0.33 H new ATOM 0 HH2 TRP B 39 9.765 -3.981 5.605 1.00 0.25 H new TER 1838 TRP B 39