USER MOD reduce.3.24.130724 H: found=0, std=0, add=1338, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1338 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 145 SER OG : rot 123:sc= 1.27 USER MOD Set 1.2: A 148 THR OG1 : rot 180:sc= -0.291 USER MOD Set 2.1: A 72 MET CE :methyl -169:sc= 0 (180deg=0) USER MOD Set 2.2: A 99 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Set 3.1: A 86 ASN : amide:sc= -0.337 K(o=0.96,f=-1.3) USER MOD Set 3.2: A 89 SER OG : rot 83:sc= 1.3 USER MOD Set 4.1: A 32 TYR OH : rot 134:sc= 0.347 USER MOD Set 4.2: A 40 TYR OH : rot 30:sc= 0.323 USER MOD Set 5.1: A 16 LYS NZ :NH3+ -176:sc= 1.29 (180deg=0.774) USER MOD Set 5.2: A 58 THR OG1 : rot -88:sc= 1.04 USER MOD Set 6.1: A 4 TYR OH : rot 30:sc= 1.14 USER MOD Set 6.2: A 51 CYS SG : rot 57:sc= 0.634 USER MOD Single : A 1 MET CE :methyl -166:sc= -0.0949 (180deg=-0.543) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 141:sc= 2.24 (180deg=-1.88) USER MOD Single : A 17 SER OG : rot -84:sc= 0.811 USER MOD Single : A 20 THR OG1 : rot -100:sc= 0.0591 USER MOD Single : A 22 GLN : amide:sc= 0.0683 K(o=0.068,f=-3.8!) USER MOD Single : A 25 GLN : amide:sc= -0.646 K(o=-0.65,f=-0.014) USER MOD Single : A 26 ASN : amide:sc= 0.659 K(o=0.66,f=-5.6!) USER MOD Single : A 27 HIS : no HD1:sc= -1.33 K(o=-1.3,f=-0.053) USER MOD Single : A 35 THR OG1 : rot 82:sc= 1.31 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0942 USER MOD Single : A 42 LYS NZ :NH3+ -174:sc= 1.09 (180deg=1.06) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0372 USER MOD Single : A 61 GLN : amide:sc= -0.0242 K(o=-0.024,f=-0.84) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0.0274 USER MOD Single : A 67 MET CE :methyl 177:sc= -0.13 (180deg=-0.134) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 126:sc= 0.686 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.144 USER MOD Single : A 80 CYS SG : rot 180:sc= -0.867 USER MOD Single : A 85 ASN : amide:sc= -2.43! C(o=-2.4!,f=-8.2!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0594 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.469 X(o=-0.47,f=0.0051) USER MOD Single : A 95 HIS : no HE2:sc= 1.1 K(o=1.1,f=-5.4!) USER MOD Single : A 96 TYR OH : rot -98:sc= 0.406 USER MOD Single : A 101 LYS NZ :NH3+ -169:sc= 1.34 (180deg=1.1) USER MOD Single : A 104 LYS NZ :NH3+ -174:sc= 1.9 (180deg=1.81) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 111 MET CE :methyl 144:sc= -1.19 (180deg=-2.07!) USER MOD Single : A 116 ASN : amide:sc= 0.56 K(o=0.56,f=-7.1!) USER MOD Single : A 117 LYS NZ :NH3+ -155:sc= 0.808 (180deg=0.437) USER MOD Single : A 118 CYS SG : rot 180:sc= -1.09 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0.0959 USER MOD Single : A 128 LYS NZ :NH3+ -129:sc= 1.22 (180deg=0.459) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 131 GLN : amide:sc= -0.417 K(o=-0.42,f=-1.3) USER MOD Single : A 136 SER OG : rot 77:sc= 0.843 USER MOD Single : A 137 TYR OH : rot 120:sc= -0.132 USER MOD Single : A 144 THR OG1 : rot 170:sc= 0 USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 157 TYR OH : rot 180:sc= 0 USER MOD Single : A 158 THR OG1 : rot 62:sc= 1.22 USER MOD Single : A 165 LYS NZ :NH3+ 158:sc= 1.2 (180deg=0.615) USER MOD Single : A 166 HIS : no HE2:sc= 0.69 K(o=0.69,f=-2.5!) USER MOD Single : A 167 LYS NZ :NH3+ -179:sc= 1.28 (180deg=1.26) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.065 9.358 8.501 1.00 0.55 N ATOM 2 CA MET A 1 18.875 9.528 7.636 1.00 0.44 C ATOM 3 C MET A 1 18.770 8.373 6.652 1.00 0.43 C ATOM 4 O MET A 1 19.439 8.358 5.620 1.00 0.60 O ATOM 5 CB MET A 1 18.959 10.849 6.871 1.00 0.50 C ATOM 6 CG MET A 1 17.704 11.159 6.069 1.00 0.53 C ATOM 7 SD MET A 1 17.927 12.521 4.910 1.00 1.04 S ATOM 8 CE MET A 1 18.646 13.766 5.981 1.00 1.48 C ATOM 0 H1 MET A 1 20.125 10.153 9.169 1.00 0.55 H new ATOM 0 H2 MET A 1 19.985 8.467 9.031 1.00 0.55 H new ATOM 0 H3 MET A 1 20.922 9.335 7.912 1.00 0.55 H new ATOM 0 HA MET A 1 17.988 9.539 8.269 1.00 0.44 H new ATOM 0 HB2 MET A 1 19.140 11.659 7.577 1.00 0.50 H new ATOM 0 HB3 MET A 1 19.815 10.817 6.196 1.00 0.50 H new ATOM 0 HG2 MET A 1 17.401 10.268 5.520 1.00 0.53 H new ATOM 0 HG3 MET A 1 16.892 11.402 6.755 1.00 0.53 H new ATOM 0 HE1 MET A 1 18.613 14.736 5.485 1.00 1.48 H new ATOM 0 HE2 MET A 1 18.081 13.815 6.912 1.00 1.48 H new ATOM 0 HE3 MET A 1 19.682 13.505 6.198 1.00 1.48 H new ATOM 20 N THR A 2 17.947 7.393 6.981 1.00 0.36 N ATOM 21 CA THR A 2 17.767 6.237 6.123 1.00 0.41 C ATOM 22 C THR A 2 16.591 6.442 5.169 1.00 0.33 C ATOM 23 O THR A 2 15.551 6.971 5.557 1.00 0.35 O ATOM 24 CB THR A 2 17.532 4.972 6.969 1.00 0.57 C ATOM 25 OG1 THR A 2 18.431 4.973 8.087 1.00 1.04 O ATOM 26 CG2 THR A 2 17.751 3.715 6.141 1.00 0.91 C ATOM 0 H THR A 2 17.393 7.375 7.837 1.00 0.36 H new ATOM 0 HA THR A 2 18.676 6.112 5.535 1.00 0.41 H new ATOM 0 HB THR A 2 16.500 4.977 7.320 1.00 0.57 H new ATOM 0 HG1 THR A 2 18.282 4.169 8.628 1.00 1.04 H new ATOM 0 HG21 THR A 2 17.579 2.836 6.762 1.00 0.91 H new ATOM 0 HG22 THR A 2 17.057 3.707 5.301 1.00 0.91 H new ATOM 0 HG23 THR A 2 18.774 3.700 5.766 1.00 0.91 H new ATOM 34 N GLU A 3 16.775 6.051 3.916 1.00 0.31 N ATOM 35 CA GLU A 3 15.723 6.172 2.921 1.00 0.26 C ATOM 36 C GLU A 3 14.897 4.891 2.891 1.00 0.24 C ATOM 37 O GLU A 3 15.448 3.793 2.863 1.00 0.37 O ATOM 38 CB GLU A 3 16.318 6.443 1.535 1.00 0.37 C ATOM 39 CG GLU A 3 15.278 6.524 0.425 1.00 0.42 C ATOM 40 CD GLU A 3 15.900 6.497 -0.954 1.00 0.62 C ATOM 41 OE1 GLU A 3 15.639 5.540 -1.718 1.00 1.15 O ATOM 42 OE2 GLU A 3 16.673 7.424 -1.276 1.00 1.27 O ATOM 0 H GLU A 3 17.644 5.647 3.566 1.00 0.31 H new ATOM 0 HA GLU A 3 15.082 7.011 3.190 1.00 0.26 H new ATOM 0 HB2 GLU A 3 16.876 7.379 1.566 1.00 0.37 H new ATOM 0 HB3 GLU A 3 17.031 5.654 1.295 1.00 0.37 H new ATOM 0 HG2 GLU A 3 14.582 5.691 0.522 1.00 0.42 H new ATOM 0 HG3 GLU A 3 14.698 7.440 0.541 1.00 0.42 H new ATOM 49 N TYR A 4 13.587 5.034 2.916 1.00 0.19 N ATOM 50 CA TYR A 4 12.693 3.885 2.894 1.00 0.25 C ATOM 51 C TYR A 4 11.868 3.886 1.611 1.00 0.21 C ATOM 52 O TYR A 4 11.142 4.839 1.337 1.00 0.21 O ATOM 53 CB TYR A 4 11.773 3.895 4.121 1.00 0.37 C ATOM 54 CG TYR A 4 12.475 3.623 5.439 1.00 0.53 C ATOM 55 CD1 TYR A 4 13.714 2.993 5.484 1.00 0.91 C ATOM 56 CD2 TYR A 4 11.889 3.991 6.643 1.00 0.78 C ATOM 57 CE1 TYR A 4 14.345 2.742 6.686 1.00 1.06 C ATOM 58 CE2 TYR A 4 12.519 3.744 7.848 1.00 0.93 C ATOM 59 CZ TYR A 4 13.745 3.120 7.863 1.00 0.91 C ATOM 60 OH TYR A 4 14.367 2.866 9.064 1.00 1.11 O ATOM 0 H TYR A 4 13.113 5.936 2.952 1.00 0.19 H new ATOM 0 HA TYR A 4 13.294 2.976 2.924 1.00 0.25 H new ATOM 0 HB2 TYR A 4 11.279 4.865 4.181 1.00 0.37 H new ATOM 0 HB3 TYR A 4 10.992 3.148 3.979 1.00 0.37 H new ATOM 0 HD1 TYR A 4 14.191 2.695 4.562 1.00 0.91 H new ATOM 0 HD2 TYR A 4 10.925 4.478 6.638 1.00 0.78 H new ATOM 0 HE1 TYR A 4 15.307 2.250 6.701 1.00 1.06 H new ATOM 0 HE2 TYR A 4 12.050 4.040 8.775 1.00 0.93 H new ATOM 0 HH TYR A 4 15.339 2.875 8.937 1.00 1.11 H new ATOM 70 N LYS A 5 11.977 2.820 0.831 1.00 0.24 N ATOM 71 CA LYS A 5 11.247 2.729 -0.425 1.00 0.26 C ATOM 72 C LYS A 5 9.950 1.943 -0.248 1.00 0.24 C ATOM 73 O LYS A 5 9.960 0.720 -0.086 1.00 0.29 O ATOM 74 CB LYS A 5 12.135 2.090 -1.496 1.00 0.40 C ATOM 75 CG LYS A 5 13.560 2.627 -1.489 1.00 0.81 C ATOM 76 CD LYS A 5 14.340 2.216 -2.729 1.00 0.65 C ATOM 77 CE LYS A 5 13.969 3.062 -3.939 1.00 0.62 C ATOM 78 NZ LYS A 5 14.206 4.512 -3.705 1.00 0.71 N ATOM 0 H LYS A 5 12.560 2.011 1.044 1.00 0.24 H new ATOM 0 HA LYS A 5 10.979 3.735 -0.748 1.00 0.26 H new ATOM 0 HB2 LYS A 5 12.159 1.011 -1.343 1.00 0.40 H new ATOM 0 HB3 LYS A 5 11.693 2.263 -2.477 1.00 0.40 H new ATOM 0 HG2 LYS A 5 13.535 3.715 -1.422 1.00 0.81 H new ATOM 0 HG3 LYS A 5 14.078 2.265 -0.601 1.00 0.81 H new ATOM 0 HD2 LYS A 5 15.408 2.310 -2.534 1.00 0.65 H new ATOM 0 HD3 LYS A 5 14.147 1.166 -2.948 1.00 0.65 H new ATOM 0 HE2 LYS A 5 14.551 2.735 -4.801 1.00 0.62 H new ATOM 0 HE3 LYS A 5 12.919 2.902 -4.184 1.00 0.62 H new ATOM 0 HZ1 LYS A 5 14.586 4.946 -4.571 1.00 0.71 H new ATOM 0 HZ2 LYS A 5 13.309 4.974 -3.451 1.00 0.71 H new ATOM 0 HZ3 LYS A 5 14.889 4.631 -2.930 1.00 0.71 H new ATOM 92 N LEU A 6 8.834 2.657 -0.294 1.00 0.26 N ATOM 93 CA LEU A 6 7.518 2.052 -0.111 1.00 0.33 C ATOM 94 C LEU A 6 6.708 2.094 -1.401 1.00 0.27 C ATOM 95 O LEU A 6 6.766 3.065 -2.156 1.00 0.29 O ATOM 96 CB LEU A 6 6.748 2.775 1.005 1.00 0.45 C ATOM 97 CG LEU A 6 6.993 2.261 2.425 1.00 0.70 C ATOM 98 CD1 LEU A 6 8.430 2.508 2.845 1.00 1.39 C ATOM 99 CD2 LEU A 6 6.037 2.936 3.396 1.00 1.08 C ATOM 0 H LEU A 6 8.812 3.664 -0.458 1.00 0.26 H new ATOM 0 HA LEU A 6 7.668 1.009 0.170 1.00 0.33 H new ATOM 0 HB2 LEU A 6 7.007 3.833 0.972 1.00 0.45 H new ATOM 0 HB3 LEU A 6 5.682 2.701 0.791 1.00 0.45 H new ATOM 0 HG LEU A 6 6.813 1.186 2.440 1.00 0.70 H new ATOM 0 HD11 LEU A 6 8.582 2.135 3.858 1.00 1.39 H new ATOM 0 HD12 LEU A 6 9.103 1.989 2.162 1.00 1.39 H new ATOM 0 HD13 LEU A 6 8.638 3.578 2.817 1.00 1.39 H new ATOM 0 HD21 LEU A 6 6.219 2.564 4.404 1.00 1.08 H new ATOM 0 HD22 LEU A 6 6.196 4.014 3.373 1.00 1.08 H new ATOM 0 HD23 LEU A 6 5.009 2.715 3.108 1.00 1.08 H new ATOM 111 N VAL A 7 5.954 1.032 -1.645 1.00 0.26 N ATOM 112 CA VAL A 7 5.125 0.924 -2.835 1.00 0.26 C ATOM 113 C VAL A 7 3.689 0.553 -2.461 1.00 0.30 C ATOM 114 O VAL A 7 3.449 -0.372 -1.681 1.00 0.39 O ATOM 115 CB VAL A 7 5.696 -0.120 -3.823 1.00 0.32 C ATOM 116 CG1 VAL A 7 4.685 -0.474 -4.903 1.00 0.81 C ATOM 117 CG2 VAL A 7 6.983 0.387 -4.454 1.00 0.74 C ATOM 0 H VAL A 7 5.900 0.224 -1.025 1.00 0.26 H new ATOM 0 HA VAL A 7 5.125 1.898 -3.325 1.00 0.26 H new ATOM 0 HB VAL A 7 5.914 -1.025 -3.256 1.00 0.32 H new ATOM 0 HG11 VAL A 7 5.119 -1.210 -5.580 1.00 0.81 H new ATOM 0 HG12 VAL A 7 3.789 -0.889 -4.441 1.00 0.81 H new ATOM 0 HG13 VAL A 7 4.421 0.423 -5.463 1.00 0.81 H new ATOM 0 HG21 VAL A 7 7.369 -0.362 -5.146 1.00 0.74 H new ATOM 0 HG22 VAL A 7 6.783 1.312 -4.995 1.00 0.74 H new ATOM 0 HG23 VAL A 7 7.721 0.575 -3.674 1.00 0.74 H new ATOM 127 N VAL A 8 2.739 1.307 -2.993 1.00 0.28 N ATOM 128 CA VAL A 8 1.328 1.064 -2.734 1.00 0.33 C ATOM 129 C VAL A 8 0.743 0.225 -3.857 1.00 0.37 C ATOM 130 O VAL A 8 0.660 0.678 -4.997 1.00 0.41 O ATOM 131 CB VAL A 8 0.533 2.383 -2.602 1.00 0.37 C ATOM 132 CG1 VAL A 8 -0.930 2.108 -2.275 1.00 0.44 C ATOM 133 CG2 VAL A 8 1.146 3.275 -1.537 1.00 0.37 C ATOM 0 H VAL A 8 2.922 2.098 -3.611 1.00 0.28 H new ATOM 0 HA VAL A 8 1.248 0.531 -1.787 1.00 0.33 H new ATOM 0 HB VAL A 8 0.581 2.898 -3.561 1.00 0.37 H new ATOM 0 HG11 VAL A 8 -1.467 3.052 -2.187 1.00 0.44 H new ATOM 0 HG12 VAL A 8 -1.375 1.510 -3.071 1.00 0.44 H new ATOM 0 HG13 VAL A 8 -0.996 1.564 -1.333 1.00 0.44 H new ATOM 0 HG21 VAL A 8 0.571 4.198 -1.460 1.00 0.37 H new ATOM 0 HG22 VAL A 8 1.132 2.758 -0.577 1.00 0.37 H new ATOM 0 HG23 VAL A 8 2.175 3.510 -1.808 1.00 0.37 H new ATOM 143 N VAL A 9 0.340 -0.994 -3.533 1.00 0.40 N ATOM 144 CA VAL A 9 -0.218 -1.899 -4.521 1.00 0.46 C ATOM 145 C VAL A 9 -1.671 -2.224 -4.218 1.00 0.52 C ATOM 146 O VAL A 9 -2.046 -2.480 -3.075 1.00 0.70 O ATOM 147 CB VAL A 9 0.593 -3.214 -4.613 1.00 0.49 C ATOM 148 CG1 VAL A 9 1.861 -3.011 -5.433 1.00 0.51 C ATOM 149 CG2 VAL A 9 0.941 -3.733 -3.224 1.00 0.59 C ATOM 0 H VAL A 9 0.390 -1.379 -2.590 1.00 0.40 H new ATOM 0 HA VAL A 9 -0.162 -1.385 -5.480 1.00 0.46 H new ATOM 0 HB VAL A 9 -0.028 -3.957 -5.114 1.00 0.49 H new ATOM 0 HG11 VAL A 9 2.415 -3.948 -5.484 1.00 0.51 H new ATOM 0 HG12 VAL A 9 1.595 -2.691 -6.441 1.00 0.51 H new ATOM 0 HG13 VAL A 9 2.481 -2.248 -4.962 1.00 0.51 H new ATOM 0 HG21 VAL A 9 1.511 -4.658 -3.313 1.00 0.59 H new ATOM 0 HG22 VAL A 9 1.538 -2.989 -2.696 1.00 0.59 H new ATOM 0 HG23 VAL A 9 0.024 -3.924 -2.667 1.00 0.59 H new ATOM 159 N GLY A 10 -2.482 -2.213 -5.257 1.00 0.44 N ATOM 160 CA GLY A 10 -3.889 -2.500 -5.111 1.00 0.51 C ATOM 161 C GLY A 10 -4.624 -2.361 -6.424 1.00 0.51 C ATOM 162 O GLY A 10 -4.036 -1.971 -7.437 1.00 0.53 O ATOM 0 H GLY A 10 -2.187 -2.008 -6.212 1.00 0.44 H new ATOM 0 HA2 GLY A 10 -4.017 -3.512 -4.727 1.00 0.51 H new ATOM 0 HA3 GLY A 10 -4.325 -1.823 -4.376 1.00 0.51 H new ATOM 166 N ALA A 11 -5.910 -2.682 -6.414 1.00 0.52 N ATOM 167 CA ALA A 11 -6.729 -2.591 -7.612 1.00 0.53 C ATOM 168 C ALA A 11 -6.988 -1.133 -7.959 1.00 0.50 C ATOM 169 O ALA A 11 -6.712 -0.235 -7.162 1.00 0.50 O ATOM 170 CB ALA A 11 -8.044 -3.343 -7.425 1.00 0.58 C ATOM 0 H ALA A 11 -6.409 -3.009 -5.586 1.00 0.52 H new ATOM 0 HA ALA A 11 -6.190 -3.055 -8.438 1.00 0.53 H new ATOM 0 HB1 ALA A 11 -8.642 -3.262 -8.333 1.00 0.58 H new ATOM 0 HB2 ALA A 11 -7.837 -4.393 -7.219 1.00 0.58 H new ATOM 0 HB3 ALA A 11 -8.594 -2.911 -6.589 1.00 0.58 H new ATOM 176 N GLY A 12 -7.500 -0.900 -9.149 1.00 0.55 N ATOM 177 CA GLY A 12 -7.778 0.453 -9.576 1.00 0.54 C ATOM 178 C GLY A 12 -8.990 1.050 -8.884 1.00 0.54 C ATOM 179 O GLY A 12 -10.055 0.439 -8.844 1.00 0.80 O ATOM 0 H GLY A 12 -7.730 -1.623 -9.831 1.00 0.55 H new ATOM 0 HA2 GLY A 12 -6.907 1.078 -9.378 1.00 0.54 H new ATOM 0 HA3 GLY A 12 -7.939 0.463 -10.654 1.00 0.54 H new ATOM 183 N GLY A 13 -8.817 2.238 -8.312 1.00 0.34 N ATOM 184 CA GLY A 13 -9.921 2.912 -7.656 1.00 0.40 C ATOM 185 C GLY A 13 -10.013 2.628 -6.168 1.00 0.40 C ATOM 186 O GLY A 13 -11.004 2.993 -5.531 1.00 0.42 O ATOM 0 H GLY A 13 -7.932 2.745 -8.292 1.00 0.34 H new ATOM 0 HA2 GLY A 13 -9.819 3.987 -7.806 1.00 0.40 H new ATOM 0 HA3 GLY A 13 -10.854 2.610 -8.133 1.00 0.40 H new ATOM 190 N VAL A 14 -8.988 2.006 -5.593 1.00 0.39 N ATOM 191 CA VAL A 14 -9.012 1.697 -4.162 1.00 0.41 C ATOM 192 C VAL A 14 -8.508 2.878 -3.328 1.00 0.44 C ATOM 193 O VAL A 14 -8.491 2.821 -2.102 1.00 0.57 O ATOM 194 CB VAL A 14 -8.199 0.428 -3.816 1.00 0.42 C ATOM 195 CG1 VAL A 14 -8.814 -0.796 -4.486 1.00 0.41 C ATOM 196 CG2 VAL A 14 -6.742 0.593 -4.213 1.00 0.43 C ATOM 0 H VAL A 14 -8.144 1.709 -6.083 1.00 0.39 H new ATOM 0 HA VAL A 14 -10.055 1.503 -3.912 1.00 0.41 H new ATOM 0 HB VAL A 14 -8.234 0.280 -2.737 1.00 0.42 H new ATOM 0 HG11 VAL A 14 -8.230 -1.681 -4.233 1.00 0.41 H new ATOM 0 HG12 VAL A 14 -9.839 -0.925 -4.138 1.00 0.41 H new ATOM 0 HG13 VAL A 14 -8.813 -0.658 -5.567 1.00 0.41 H new ATOM 0 HG21 VAL A 14 -6.191 -0.313 -3.959 1.00 0.43 H new ATOM 0 HG22 VAL A 14 -6.675 0.770 -5.286 1.00 0.43 H new ATOM 0 HG23 VAL A 14 -6.313 1.440 -3.678 1.00 0.43 H new ATOM 206 N GLY A 15 -8.102 3.952 -4.002 1.00 0.39 N ATOM 207 CA GLY A 15 -7.631 5.139 -3.305 1.00 0.42 C ATOM 208 C GLY A 15 -6.135 5.154 -3.090 1.00 0.43 C ATOM 209 O GLY A 15 -5.652 5.766 -2.140 1.00 0.49 O ATOM 0 H GLY A 15 -8.091 4.022 -5.020 1.00 0.39 H new ATOM 0 HA2 GLY A 15 -7.918 6.023 -3.874 1.00 0.42 H new ATOM 0 HA3 GLY A 15 -8.130 5.206 -2.338 1.00 0.42 H new ATOM 213 N LYS A 16 -5.395 4.522 -3.991 1.00 0.41 N ATOM 214 CA LYS A 16 -3.940 4.469 -3.876 1.00 0.45 C ATOM 215 C LYS A 16 -3.325 5.866 -3.902 1.00 0.47 C ATOM 216 O LYS A 16 -2.467 6.182 -3.088 1.00 0.58 O ATOM 217 CB LYS A 16 -3.343 3.617 -4.995 1.00 0.46 C ATOM 218 CG LYS A 16 -3.761 2.161 -4.924 1.00 0.65 C ATOM 219 CD LYS A 16 -3.048 1.313 -5.965 1.00 0.79 C ATOM 220 CE LYS A 16 -3.541 1.601 -7.375 1.00 0.78 C ATOM 221 NZ LYS A 16 -2.999 0.629 -8.363 1.00 0.81 N ATOM 0 H LYS A 16 -5.774 4.040 -4.806 1.00 0.41 H new ATOM 0 HA LYS A 16 -3.705 4.012 -2.915 1.00 0.45 H new ATOM 0 HB2 LYS A 16 -3.646 4.029 -5.958 1.00 0.46 H new ATOM 0 HB3 LYS A 16 -2.256 3.679 -4.950 1.00 0.46 H new ATOM 0 HG2 LYS A 16 -3.547 1.770 -3.929 1.00 0.65 H new ATOM 0 HG3 LYS A 16 -4.838 2.085 -5.071 1.00 0.65 H new ATOM 0 HD2 LYS A 16 -1.976 1.500 -5.911 1.00 0.79 H new ATOM 0 HD3 LYS A 16 -3.199 0.258 -5.737 1.00 0.79 H new ATOM 0 HE2 LYS A 16 -4.630 1.567 -7.393 1.00 0.78 H new ATOM 0 HE3 LYS A 16 -3.249 2.611 -7.662 1.00 0.78 H new ATOM 0 HZ1 LYS A 16 -3.304 0.900 -9.320 1.00 0.81 H new ATOM 0 HZ2 LYS A 16 -1.960 0.630 -8.317 1.00 0.81 H new ATOM 0 HZ3 LYS A 16 -3.354 -0.324 -8.143 1.00 0.81 H new ATOM 235 N SER A 17 -3.777 6.702 -4.834 1.00 0.40 N ATOM 236 CA SER A 17 -3.250 8.060 -4.954 1.00 0.41 C ATOM 237 C SER A 17 -3.792 8.982 -3.856 1.00 0.40 C ATOM 238 O SER A 17 -3.197 10.011 -3.552 1.00 0.58 O ATOM 239 CB SER A 17 -3.580 8.640 -6.336 1.00 0.43 C ATOM 240 OG SER A 17 -3.517 7.635 -7.348 1.00 0.44 O ATOM 0 H SER A 17 -4.501 6.466 -5.512 1.00 0.40 H new ATOM 0 HA SER A 17 -2.168 8.001 -4.835 1.00 0.41 H new ATOM 0 HB2 SER A 17 -4.577 9.081 -6.319 1.00 0.43 H new ATOM 0 HB3 SER A 17 -2.881 9.442 -6.573 1.00 0.43 H new ATOM 0 HG SER A 17 -2.590 7.529 -7.647 1.00 0.44 H new ATOM 246 N ALA A 18 -4.909 8.599 -3.252 1.00 0.41 N ATOM 247 CA ALA A 18 -5.520 9.405 -2.204 1.00 0.40 C ATOM 248 C ALA A 18 -4.712 9.320 -0.920 1.00 0.41 C ATOM 249 O ALA A 18 -4.509 10.323 -0.233 1.00 0.43 O ATOM 250 CB ALA A 18 -6.951 8.959 -1.963 1.00 0.43 C ATOM 0 H ALA A 18 -5.409 7.737 -3.469 1.00 0.41 H new ATOM 0 HA ALA A 18 -5.530 10.445 -2.531 1.00 0.40 H new ATOM 0 HB1 ALA A 18 -7.395 9.570 -1.177 1.00 0.43 H new ATOM 0 HB2 ALA A 18 -7.527 9.073 -2.881 1.00 0.43 H new ATOM 0 HB3 ALA A 18 -6.959 7.913 -1.657 1.00 0.43 H new ATOM 256 N LEU A 19 -4.238 8.122 -0.614 1.00 0.44 N ATOM 257 CA LEU A 19 -3.443 7.896 0.586 1.00 0.50 C ATOM 258 C LEU A 19 -2.129 8.660 0.510 1.00 0.48 C ATOM 259 O LEU A 19 -1.552 9.033 1.530 1.00 0.51 O ATOM 260 CB LEU A 19 -3.155 6.408 0.760 1.00 0.60 C ATOM 261 CG LEU A 19 -4.378 5.497 0.705 1.00 0.76 C ATOM 262 CD1 LEU A 19 -3.951 4.042 0.689 1.00 0.92 C ATOM 263 CD2 LEU A 19 -5.305 5.771 1.881 1.00 0.79 C ATOM 0 H LEU A 19 -4.390 7.288 -1.181 1.00 0.44 H new ATOM 0 HA LEU A 19 -4.014 8.255 1.442 1.00 0.50 H new ATOM 0 HB2 LEU A 19 -2.455 6.097 -0.016 1.00 0.60 H new ATOM 0 HB3 LEU A 19 -2.655 6.261 1.718 1.00 0.60 H new ATOM 0 HG LEU A 19 -4.924 5.707 -0.215 1.00 0.76 H new ATOM 0 HD11 LEU A 19 -4.834 3.404 0.650 1.00 0.92 H new ATOM 0 HD12 LEU A 19 -3.329 3.855 -0.186 1.00 0.92 H new ATOM 0 HD13 LEU A 19 -3.383 3.820 1.592 1.00 0.92 H new ATOM 0 HD21 LEU A 19 -6.171 5.111 1.823 1.00 0.79 H new ATOM 0 HD22 LEU A 19 -4.772 5.590 2.814 1.00 0.79 H new ATOM 0 HD23 LEU A 19 -5.637 6.809 1.849 1.00 0.79 H new ATOM 275 N THR A 20 -1.661 8.891 -0.706 1.00 0.49 N ATOM 276 CA THR A 20 -0.420 9.602 -0.919 1.00 0.54 C ATOM 277 C THR A 20 -0.584 11.096 -0.658 1.00 0.49 C ATOM 278 O THR A 20 0.142 11.671 0.150 1.00 0.50 O ATOM 279 CB THR A 20 0.085 9.396 -2.354 1.00 0.64 C ATOM 280 OG1 THR A 20 -0.530 8.230 -2.919 1.00 0.89 O ATOM 281 CG2 THR A 20 1.598 9.246 -2.377 1.00 0.74 C ATOM 0 H THR A 20 -2.128 8.593 -1.562 1.00 0.49 H new ATOM 0 HA THR A 20 0.307 9.198 -0.215 1.00 0.54 H new ATOM 0 HB THR A 20 -0.182 10.271 -2.946 1.00 0.64 H new ATOM 0 HG1 THR A 20 0.094 7.476 -2.872 1.00 0.89 H new ATOM 0 HG21 THR A 20 1.934 9.101 -3.404 1.00 0.74 H new ATOM 0 HG22 THR A 20 2.059 10.145 -1.968 1.00 0.74 H new ATOM 0 HG23 THR A 20 1.887 8.384 -1.776 1.00 0.74 H new ATOM 289 N ILE A 21 -1.558 11.716 -1.323 1.00 0.48 N ATOM 290 CA ILE A 21 -1.801 13.149 -1.169 1.00 0.50 C ATOM 291 C ILE A 21 -2.162 13.502 0.272 1.00 0.43 C ATOM 292 O ILE A 21 -1.720 14.525 0.801 1.00 0.43 O ATOM 293 CB ILE A 21 -2.914 13.649 -2.114 1.00 0.59 C ATOM 294 CG1 ILE A 21 -2.689 13.116 -3.531 1.00 0.63 C ATOM 295 CG2 ILE A 21 -2.950 15.172 -2.127 1.00 0.79 C ATOM 296 CD1 ILE A 21 -3.949 13.056 -4.364 1.00 0.76 C ATOM 0 H ILE A 21 -2.191 11.249 -1.973 1.00 0.48 H new ATOM 0 HA ILE A 21 -0.870 13.649 -1.435 1.00 0.50 H new ATOM 0 HB ILE A 21 -3.872 13.278 -1.749 1.00 0.59 H new ATOM 0 HG12 ILE A 21 -1.960 13.749 -4.036 1.00 0.63 H new ATOM 0 HG13 ILE A 21 -2.256 12.117 -3.470 1.00 0.63 H new ATOM 0 HG21 ILE A 21 -3.739 15.512 -2.797 1.00 0.79 H new ATOM 0 HG22 ILE A 21 -3.146 15.540 -1.120 1.00 0.79 H new ATOM 0 HG23 ILE A 21 -1.990 15.556 -2.473 1.00 0.79 H new ATOM 0 HD11 ILE A 21 -3.712 12.669 -5.355 1.00 0.76 H new ATOM 0 HD12 ILE A 21 -4.673 12.400 -3.882 1.00 0.76 H new ATOM 0 HD13 ILE A 21 -4.372 14.056 -4.457 1.00 0.76 H new ATOM 308 N GLN A 22 -2.941 12.638 0.911 1.00 0.41 N ATOM 309 CA GLN A 22 -3.356 12.846 2.293 1.00 0.37 C ATOM 310 C GLN A 22 -2.165 12.757 3.247 1.00 0.37 C ATOM 311 O GLN A 22 -2.188 13.313 4.340 1.00 0.46 O ATOM 312 CB GLN A 22 -4.417 11.816 2.691 1.00 0.40 C ATOM 313 CG GLN A 22 -5.839 12.349 2.665 1.00 0.43 C ATOM 314 CD GLN A 22 -6.162 13.236 3.851 1.00 0.36 C ATOM 315 OE1 GLN A 22 -5.319 13.979 4.352 1.00 0.35 O ATOM 316 NE2 GLN A 22 -7.396 13.148 4.316 1.00 0.41 N ATOM 0 H GLN A 22 -3.300 11.781 0.491 1.00 0.41 H new ATOM 0 HA GLN A 22 -3.781 13.847 2.366 1.00 0.37 H new ATOM 0 HB2 GLN A 22 -4.348 10.961 2.018 1.00 0.40 H new ATOM 0 HB3 GLN A 22 -4.195 11.451 3.694 1.00 0.40 H new ATOM 0 HG2 GLN A 22 -5.993 12.912 1.745 1.00 0.43 H new ATOM 0 HG3 GLN A 22 -6.535 11.510 2.646 1.00 0.43 H new ATOM 0 HE21 GLN A 22 -8.065 12.519 3.871 1.00 0.41 H new ATOM 0 HE22 GLN A 22 -7.679 13.709 5.119 1.00 0.41 H new ATOM 325 N LEU A 23 -1.121 12.064 2.828 1.00 0.41 N ATOM 326 CA LEU A 23 0.065 11.906 3.658 1.00 0.44 C ATOM 327 C LEU A 23 1.127 12.949 3.322 1.00 0.40 C ATOM 328 O LEU A 23 1.779 13.495 4.215 1.00 0.49 O ATOM 329 CB LEU A 23 0.639 10.503 3.480 1.00 0.54 C ATOM 330 CG LEU A 23 1.803 10.150 4.405 1.00 1.06 C ATOM 331 CD1 LEU A 23 1.306 9.904 5.820 1.00 1.37 C ATOM 332 CD2 LEU A 23 2.543 8.930 3.878 1.00 1.25 C ATOM 0 H LEU A 23 -1.068 11.602 1.920 1.00 0.41 H new ATOM 0 HA LEU A 23 -0.230 12.052 4.697 1.00 0.44 H new ATOM 0 HB2 LEU A 23 -0.160 9.779 3.637 1.00 0.54 H new ATOM 0 HB3 LEU A 23 0.971 10.393 2.448 1.00 0.54 H new ATOM 0 HG LEU A 23 2.495 10.992 4.429 1.00 1.06 H new ATOM 0 HD11 LEU A 23 2.149 9.654 6.464 1.00 1.37 H new ATOM 0 HD12 LEU A 23 0.817 10.803 6.195 1.00 1.37 H new ATOM 0 HD13 LEU A 23 0.594 9.078 5.817 1.00 1.37 H new ATOM 0 HD21 LEU A 23 3.370 8.689 4.546 1.00 1.25 H new ATOM 0 HD22 LEU A 23 1.859 8.083 3.828 1.00 1.25 H new ATOM 0 HD23 LEU A 23 2.931 9.142 2.882 1.00 1.25 H new ATOM 344 N ILE A 24 1.297 13.216 2.036 1.00 0.37 N ATOM 345 CA ILE A 24 2.294 14.171 1.571 1.00 0.39 C ATOM 346 C ILE A 24 1.873 15.618 1.828 1.00 0.46 C ATOM 347 O ILE A 24 2.599 16.375 2.470 1.00 0.58 O ATOM 348 CB ILE A 24 2.582 13.984 0.063 1.00 0.40 C ATOM 349 CG1 ILE A 24 3.042 12.550 -0.227 1.00 0.39 C ATOM 350 CG2 ILE A 24 3.618 14.988 -0.422 1.00 0.47 C ATOM 351 CD1 ILE A 24 4.250 12.113 0.580 1.00 0.37 C ATOM 0 H ILE A 24 0.753 12.782 1.290 1.00 0.37 H new ATOM 0 HA ILE A 24 3.200 13.972 2.143 1.00 0.39 H new ATOM 0 HB ILE A 24 1.655 14.164 -0.482 1.00 0.40 H new ATOM 0 HG12 ILE A 24 2.217 11.867 -0.025 1.00 0.39 H new ATOM 0 HG13 ILE A 24 3.276 12.462 -1.288 1.00 0.39 H new ATOM 0 HG21 ILE A 24 3.803 14.835 -1.485 1.00 0.47 H new ATOM 0 HG22 ILE A 24 3.248 16.000 -0.260 1.00 0.47 H new ATOM 0 HG23 ILE A 24 4.547 14.848 0.131 1.00 0.47 H new ATOM 0 HD11 ILE A 24 4.512 11.088 0.317 1.00 0.37 H new ATOM 0 HD12 ILE A 24 5.091 12.770 0.361 1.00 0.37 H new ATOM 0 HD13 ILE A 24 4.016 12.166 1.643 1.00 0.37 H new ATOM 363 N GLN A 25 0.700 16.000 1.336 1.00 0.46 N ATOM 364 CA GLN A 25 0.224 17.375 1.498 1.00 0.55 C ATOM 365 C GLN A 25 -0.800 17.495 2.622 1.00 0.50 C ATOM 366 O GLN A 25 -1.160 18.602 3.022 1.00 0.58 O ATOM 367 CB GLN A 25 -0.362 17.883 0.184 1.00 0.65 C ATOM 368 CG GLN A 25 0.644 17.930 -0.956 1.00 0.82 C ATOM 369 CD GLN A 25 0.017 18.372 -2.263 1.00 1.04 C ATOM 370 OE1 GLN A 25 -0.088 19.563 -2.538 1.00 1.68 O ATOM 371 NE2 GLN A 25 -0.397 17.418 -3.082 1.00 1.38 N ATOM 0 H GLN A 25 0.064 15.387 0.826 1.00 0.46 H new ATOM 0 HA GLN A 25 1.079 17.993 1.773 1.00 0.55 H new ATOM 0 HB2 GLN A 25 -1.195 17.242 -0.104 1.00 0.65 H new ATOM 0 HB3 GLN A 25 -0.768 18.882 0.340 1.00 0.65 H new ATOM 0 HG2 GLN A 25 1.453 18.613 -0.695 1.00 0.82 H new ATOM 0 HG3 GLN A 25 1.089 16.943 -1.085 1.00 0.82 H new ATOM 0 HE21 GLN A 25 -0.292 16.438 -2.818 1.00 1.38 H new ATOM 0 HE22 GLN A 25 -0.820 17.663 -3.977 1.00 1.38 H new ATOM 380 N ASN A 26 -1.276 16.354 3.103 1.00 0.44 N ATOM 381 CA ASN A 26 -2.248 16.289 4.204 1.00 0.49 C ATOM 382 C ASN A 26 -3.647 16.759 3.806 1.00 0.46 C ATOM 383 O ASN A 26 -4.467 17.059 4.674 1.00 0.58 O ATOM 384 CB ASN A 26 -1.770 17.096 5.420 1.00 0.61 C ATOM 385 CG ASN A 26 -0.795 16.331 6.289 1.00 1.02 C ATOM 386 OD1 ASN A 26 -0.776 15.098 6.296 1.00 1.40 O ATOM 387 ND2 ASN A 26 0.020 17.055 7.035 1.00 1.60 N ATOM 0 H ASN A 26 -1.002 15.440 2.744 1.00 0.44 H new ATOM 0 HA ASN A 26 -2.317 15.233 4.466 1.00 0.49 H new ATOM 0 HB2 ASN A 26 -1.298 18.016 5.076 1.00 0.61 H new ATOM 0 HB3 ASN A 26 -2.633 17.386 6.019 1.00 0.61 H new ATOM 0 HD21 ASN A 26 0.696 16.596 7.645 1.00 1.60 H new ATOM 0 HD22 ASN A 26 -0.027 18.073 7.001 1.00 1.60 H new ATOM 394 N HIS A 27 -3.936 16.820 2.513 1.00 0.41 N ATOM 395 CA HIS A 27 -5.257 17.250 2.070 1.00 0.44 C ATOM 396 C HIS A 27 -5.843 16.248 1.089 1.00 0.43 C ATOM 397 O HIS A 27 -5.187 15.842 0.128 1.00 0.46 O ATOM 398 CB HIS A 27 -5.229 18.676 1.482 1.00 0.51 C ATOM 399 CG HIS A 27 -4.800 18.795 0.048 1.00 0.55 C ATOM 400 ND1 HIS A 27 -5.694 18.924 -0.994 1.00 0.61 N ATOM 401 CD2 HIS A 27 -3.569 18.841 -0.512 1.00 0.67 C ATOM 402 CE1 HIS A 27 -5.032 19.051 -2.128 1.00 0.69 C ATOM 403 NE2 HIS A 27 -3.742 19.003 -1.863 1.00 0.74 N ATOM 0 H HIS A 27 -3.287 16.582 1.763 1.00 0.41 H new ATOM 0 HA HIS A 27 -5.908 17.286 2.944 1.00 0.44 H new ATOM 0 HB2 HIS A 27 -6.226 19.105 1.578 1.00 0.51 H new ATOM 0 HB3 HIS A 27 -4.560 19.284 2.091 1.00 0.51 H new ATOM 0 HD2 HIS A 27 -2.626 18.764 0.008 1.00 0.67 H new ATOM 0 HE1 HIS A 27 -5.472 19.173 -3.107 1.00 0.69 H new ATOM 0 HE2 HIS A 27 -2.993 19.075 -2.552 1.00 0.74 H new ATOM 412 N PHE A 28 -7.065 15.832 1.376 1.00 0.44 N ATOM 413 CA PHE A 28 -7.776 14.864 0.556 1.00 0.45 C ATOM 414 C PHE A 28 -8.289 15.508 -0.726 1.00 0.45 C ATOM 415 O PHE A 28 -8.963 16.539 -0.690 1.00 0.52 O ATOM 416 CB PHE A 28 -8.941 14.269 1.358 1.00 0.52 C ATOM 417 CG PHE A 28 -9.794 13.290 0.599 1.00 0.47 C ATOM 418 CD1 PHE A 28 -9.285 12.065 0.189 1.00 0.48 C ATOM 419 CD2 PHE A 28 -11.115 13.591 0.307 1.00 0.60 C ATOM 420 CE1 PHE A 28 -10.079 11.164 -0.495 1.00 0.49 C ATOM 421 CE2 PHE A 28 -11.913 12.695 -0.377 1.00 0.60 C ATOM 422 CZ PHE A 28 -11.394 11.479 -0.779 1.00 0.48 C ATOM 0 H PHE A 28 -7.594 16.156 2.186 1.00 0.44 H new ATOM 0 HA PHE A 28 -7.086 14.068 0.277 1.00 0.45 H new ATOM 0 HB2 PHE A 28 -8.539 13.771 2.241 1.00 0.52 H new ATOM 0 HB3 PHE A 28 -9.574 15.083 1.711 1.00 0.52 H new ATOM 0 HD1 PHE A 28 -8.258 11.814 0.407 1.00 0.48 H new ATOM 0 HD2 PHE A 28 -11.526 14.540 0.619 1.00 0.60 H new ATOM 0 HE1 PHE A 28 -9.672 10.214 -0.807 1.00 0.49 H new ATOM 0 HE2 PHE A 28 -12.941 12.944 -0.597 1.00 0.60 H new ATOM 0 HZ PHE A 28 -12.015 10.776 -1.314 1.00 0.48 H new ATOM 432 N VAL A 29 -7.959 14.898 -1.851 1.00 0.46 N ATOM 433 CA VAL A 29 -8.389 15.396 -3.146 1.00 0.49 C ATOM 434 C VAL A 29 -9.605 14.608 -3.615 1.00 0.52 C ATOM 435 O VAL A 29 -9.645 13.384 -3.485 1.00 0.61 O ATOM 436 CB VAL A 29 -7.260 15.286 -4.193 1.00 0.53 C ATOM 437 CG1 VAL A 29 -7.694 15.868 -5.527 1.00 0.55 C ATOM 438 CG2 VAL A 29 -6.001 15.977 -3.695 1.00 0.64 C ATOM 0 H VAL A 29 -7.391 14.052 -1.893 1.00 0.46 H new ATOM 0 HA VAL A 29 -8.648 16.449 -3.039 1.00 0.49 H new ATOM 0 HB VAL A 29 -7.040 14.229 -4.341 1.00 0.53 H new ATOM 0 HG11 VAL A 29 -6.880 15.777 -6.246 1.00 0.55 H new ATOM 0 HG12 VAL A 29 -8.565 15.325 -5.895 1.00 0.55 H new ATOM 0 HG13 VAL A 29 -7.950 16.920 -5.399 1.00 0.55 H new ATOM 0 HG21 VAL A 29 -5.216 15.889 -4.446 1.00 0.64 H new ATOM 0 HG22 VAL A 29 -6.212 17.031 -3.513 1.00 0.64 H new ATOM 0 HG23 VAL A 29 -5.671 15.507 -2.768 1.00 0.64 H new ATOM 448 N ASP A 30 -10.595 15.310 -4.149 1.00 0.55 N ATOM 449 CA ASP A 30 -11.820 14.667 -4.614 1.00 0.63 C ATOM 450 C ASP A 30 -11.666 14.110 -6.023 1.00 0.60 C ATOM 451 O ASP A 30 -12.304 13.119 -6.374 1.00 0.72 O ATOM 452 CB ASP A 30 -12.995 15.644 -4.573 1.00 0.75 C ATOM 453 CG ASP A 30 -14.316 14.945 -4.807 1.00 0.93 C ATOM 454 OD1 ASP A 30 -14.878 15.075 -5.915 1.00 1.12 O ATOM 455 OD2 ASP A 30 -14.794 14.251 -3.881 1.00 0.99 O ATOM 0 H ASP A 30 -10.576 16.322 -4.272 1.00 0.55 H new ATOM 0 HA ASP A 30 -12.020 13.835 -3.939 1.00 0.63 H new ATOM 0 HB2 ASP A 30 -13.016 16.147 -3.606 1.00 0.75 H new ATOM 0 HB3 ASP A 30 -12.853 16.415 -5.330 1.00 0.75 H new ATOM 460 N GLU A 31 -10.834 14.745 -6.831 1.00 0.54 N ATOM 461 CA GLU A 31 -10.616 14.287 -8.192 1.00 0.59 C ATOM 462 C GLU A 31 -9.133 14.279 -8.541 1.00 0.53 C ATOM 463 O GLU A 31 -8.485 15.327 -8.575 1.00 0.53 O ATOM 464 CB GLU A 31 -11.380 15.177 -9.166 1.00 0.69 C ATOM 465 CG GLU A 31 -11.648 14.513 -10.500 1.00 0.83 C ATOM 466 CD GLU A 31 -12.444 13.233 -10.356 1.00 0.99 C ATOM 467 OE1 GLU A 31 -11.829 12.157 -10.191 1.00 1.18 O ATOM 468 OE2 GLU A 31 -13.690 13.302 -10.411 1.00 1.16 O ATOM 0 H GLU A 31 -10.301 15.575 -6.570 1.00 0.54 H new ATOM 0 HA GLU A 31 -10.985 13.264 -8.271 1.00 0.59 H new ATOM 0 HB2 GLU A 31 -12.329 15.466 -8.715 1.00 0.69 H new ATOM 0 HB3 GLU A 31 -10.813 16.093 -9.331 1.00 0.69 H new ATOM 0 HG2 GLU A 31 -12.190 15.205 -11.145 1.00 0.83 H new ATOM 0 HG3 GLU A 31 -10.700 14.295 -10.992 1.00 0.83 H new ATOM 475 N TYR A 32 -8.609 13.093 -8.806 1.00 0.50 N ATOM 476 CA TYR A 32 -7.209 12.926 -9.154 1.00 0.46 C ATOM 477 C TYR A 32 -7.077 11.862 -10.228 1.00 0.44 C ATOM 478 O TYR A 32 -7.852 10.906 -10.253 1.00 0.48 O ATOM 479 CB TYR A 32 -6.404 12.530 -7.917 1.00 0.46 C ATOM 480 CG TYR A 32 -4.940 12.897 -8.002 1.00 0.46 C ATOM 481 CD1 TYR A 32 -4.517 14.191 -7.722 1.00 0.51 C ATOM 482 CD2 TYR A 32 -3.984 11.955 -8.360 1.00 0.46 C ATOM 483 CE1 TYR A 32 -3.181 14.536 -7.796 1.00 0.55 C ATOM 484 CE2 TYR A 32 -2.645 12.293 -8.436 1.00 0.50 C ATOM 485 CZ TYR A 32 -2.247 13.586 -8.151 1.00 0.54 C ATOM 486 OH TYR A 32 -0.915 13.933 -8.224 1.00 0.60 O ATOM 0 H TYR A 32 -9.141 12.223 -8.786 1.00 0.50 H new ATOM 0 HA TYR A 32 -6.818 13.869 -9.535 1.00 0.46 H new ATOM 0 HB2 TYR A 32 -6.840 13.011 -7.041 1.00 0.46 H new ATOM 0 HB3 TYR A 32 -6.492 11.454 -7.766 1.00 0.46 H new ATOM 0 HD1 TYR A 32 -5.244 14.939 -7.442 1.00 0.51 H new ATOM 0 HD2 TYR A 32 -4.291 10.944 -8.582 1.00 0.46 H new ATOM 0 HE1 TYR A 32 -2.869 15.547 -7.576 1.00 0.55 H new ATOM 0 HE2 TYR A 32 -1.913 11.550 -8.717 1.00 0.50 H new ATOM 0 HH TYR A 32 -0.374 13.249 -7.778 1.00 0.60 H new ATOM 496 N ASP A 33 -6.110 12.031 -11.114 1.00 0.43 N ATOM 497 CA ASP A 33 -5.892 11.075 -12.196 1.00 0.42 C ATOM 498 C ASP A 33 -5.455 9.713 -11.656 1.00 0.39 C ATOM 499 O ASP A 33 -4.438 9.598 -10.968 1.00 0.42 O ATOM 500 CB ASP A 33 -4.847 11.606 -13.174 1.00 0.50 C ATOM 501 CG ASP A 33 -4.887 10.903 -14.512 1.00 0.55 C ATOM 502 OD1 ASP A 33 -4.152 9.910 -14.700 1.00 0.80 O ATOM 503 OD2 ASP A 33 -5.651 11.347 -15.395 1.00 0.60 O ATOM 0 H ASP A 33 -5.462 12.819 -11.109 1.00 0.43 H new ATOM 0 HA ASP A 33 -6.839 10.946 -12.719 1.00 0.42 H new ATOM 0 HB2 ASP A 33 -5.006 12.674 -13.325 1.00 0.50 H new ATOM 0 HB3 ASP A 33 -3.855 11.490 -12.737 1.00 0.50 H new ATOM 508 N PRO A 34 -6.229 8.661 -11.962 1.00 0.38 N ATOM 509 CA PRO A 34 -5.927 7.301 -11.507 1.00 0.41 C ATOM 510 C PRO A 34 -4.794 6.646 -12.301 1.00 0.42 C ATOM 511 O PRO A 34 -4.180 5.677 -11.846 1.00 0.52 O ATOM 512 CB PRO A 34 -7.245 6.560 -11.735 1.00 0.50 C ATOM 513 CG PRO A 34 -7.912 7.281 -12.854 1.00 0.49 C ATOM 514 CD PRO A 34 -7.479 8.717 -12.758 1.00 0.42 C ATOM 0 HA PRO A 34 -5.581 7.285 -10.474 1.00 0.41 H new ATOM 0 HB2 PRO A 34 -7.070 5.515 -11.990 1.00 0.50 H new ATOM 0 HB3 PRO A 34 -7.863 6.570 -10.837 1.00 0.50 H new ATOM 0 HG2 PRO A 34 -7.626 6.854 -13.815 1.00 0.49 H new ATOM 0 HG3 PRO A 34 -8.996 7.197 -12.777 1.00 0.49 H new ATOM 0 HD2 PRO A 34 -7.306 9.149 -13.744 1.00 0.42 H new ATOM 0 HD3 PRO A 34 -8.236 9.331 -12.270 1.00 0.42 H new ATOM 522 N THR A 35 -4.510 7.190 -13.473 1.00 0.37 N ATOM 523 CA THR A 35 -3.465 6.655 -14.328 1.00 0.42 C ATOM 524 C THR A 35 -2.114 7.289 -14.011 1.00 0.40 C ATOM 525 O THR A 35 -1.116 7.006 -14.674 1.00 0.41 O ATOM 526 CB THR A 35 -3.797 6.887 -15.811 1.00 0.52 C ATOM 527 OG1 THR A 35 -4.937 7.752 -15.920 1.00 0.74 O ATOM 528 CG2 THR A 35 -4.085 5.569 -16.524 1.00 0.89 C ATOM 0 H THR A 35 -4.991 8.005 -13.854 1.00 0.37 H new ATOM 0 HA THR A 35 -3.408 5.584 -14.135 1.00 0.42 H new ATOM 0 HB THR A 35 -2.933 7.351 -16.286 1.00 0.52 H new ATOM 0 HG1 THR A 35 -4.650 8.685 -15.830 1.00 0.74 H new ATOM 0 HG21 THR A 35 -4.317 5.765 -17.571 1.00 0.89 H new ATOM 0 HG22 THR A 35 -3.210 4.922 -16.461 1.00 0.89 H new ATOM 0 HG23 THR A 35 -4.935 5.077 -16.050 1.00 0.89 H new ATOM 536 N ILE A 36 -2.084 8.145 -12.998 1.00 0.45 N ATOM 537 CA ILE A 36 -0.854 8.810 -12.604 1.00 0.48 C ATOM 538 C ILE A 36 -0.019 7.929 -11.673 1.00 0.47 C ATOM 539 O ILE A 36 -0.505 7.438 -10.650 1.00 0.54 O ATOM 540 CB ILE A 36 -1.148 10.175 -11.929 1.00 0.54 C ATOM 541 CG1 ILE A 36 -1.252 11.272 -12.991 1.00 0.62 C ATOM 542 CG2 ILE A 36 -0.081 10.533 -10.900 1.00 0.65 C ATOM 543 CD1 ILE A 36 -1.536 12.646 -12.418 1.00 0.73 C ATOM 0 H ILE A 36 -2.898 8.394 -12.436 1.00 0.45 H new ATOM 0 HA ILE A 36 -0.278 8.990 -13.512 1.00 0.48 H new ATOM 0 HB ILE A 36 -2.099 10.092 -11.403 1.00 0.54 H new ATOM 0 HG12 ILE A 36 -0.321 11.309 -13.556 1.00 0.62 H new ATOM 0 HG13 ILE A 36 -2.042 11.011 -13.695 1.00 0.62 H new ATOM 0 HG21 ILE A 36 -0.320 11.495 -10.448 1.00 0.65 H new ATOM 0 HG22 ILE A 36 -0.050 9.766 -10.126 1.00 0.65 H new ATOM 0 HG23 ILE A 36 0.891 10.594 -11.390 1.00 0.65 H new ATOM 0 HD11 ILE A 36 -1.596 13.373 -13.228 1.00 0.73 H new ATOM 0 HD12 ILE A 36 -2.482 12.626 -11.877 1.00 0.73 H new ATOM 0 HD13 ILE A 36 -0.734 12.929 -11.736 1.00 0.73 H new ATOM 555 N GLU A 37 1.228 7.712 -12.061 1.00 0.49 N ATOM 556 CA GLU A 37 2.169 6.930 -11.277 1.00 0.48 C ATOM 557 C GLU A 37 3.406 7.784 -11.043 1.00 0.50 C ATOM 558 O GLU A 37 4.385 7.709 -11.790 1.00 0.79 O ATOM 559 CB GLU A 37 2.524 5.628 -12.008 1.00 0.51 C ATOM 560 CG GLU A 37 3.262 4.611 -11.145 1.00 0.57 C ATOM 561 CD GLU A 37 3.180 3.202 -11.701 1.00 0.59 C ATOM 562 OE1 GLU A 37 2.105 2.569 -11.572 1.00 0.64 O ATOM 563 OE2 GLU A 37 4.185 2.721 -12.268 1.00 0.81 O ATOM 0 H GLU A 37 1.616 8.075 -12.932 1.00 0.49 H new ATOM 0 HA GLU A 37 1.728 6.651 -10.320 1.00 0.48 H new ATOM 0 HB2 GLU A 37 1.607 5.173 -12.383 1.00 0.51 H new ATOM 0 HB3 GLU A 37 3.139 5.867 -12.875 1.00 0.51 H new ATOM 0 HG2 GLU A 37 4.309 4.904 -11.061 1.00 0.57 H new ATOM 0 HG3 GLU A 37 2.845 4.625 -10.138 1.00 0.57 H new ATOM 570 N ASP A 38 3.337 8.635 -10.024 1.00 0.30 N ATOM 571 CA ASP A 38 4.435 9.548 -9.718 1.00 0.33 C ATOM 572 C ASP A 38 5.093 9.221 -8.381 1.00 0.31 C ATOM 573 O ASP A 38 4.527 8.514 -7.546 1.00 0.34 O ATOM 574 CB ASP A 38 3.931 10.996 -9.719 1.00 0.42 C ATOM 575 CG ASP A 38 5.051 12.019 -9.695 1.00 0.54 C ATOM 576 OD1 ASP A 38 6.179 11.691 -10.132 1.00 1.29 O ATOM 577 OD2 ASP A 38 4.811 13.155 -9.240 1.00 1.12 O ATOM 0 H ASP A 38 2.536 8.712 -9.398 1.00 0.30 H new ATOM 0 HA ASP A 38 5.191 9.426 -10.494 1.00 0.33 H new ATOM 0 HB2 ASP A 38 3.317 11.160 -10.605 1.00 0.42 H new ATOM 0 HB3 ASP A 38 3.288 11.151 -8.853 1.00 0.42 H new ATOM 582 N SER A 39 6.295 9.741 -8.201 1.00 0.33 N ATOM 583 CA SER A 39 7.070 9.522 -6.994 1.00 0.35 C ATOM 584 C SER A 39 6.835 10.628 -5.964 1.00 0.27 C ATOM 585 O SER A 39 6.689 11.798 -6.319 1.00 0.35 O ATOM 586 CB SER A 39 8.545 9.467 -7.373 1.00 0.51 C ATOM 587 OG SER A 39 8.790 10.267 -8.521 1.00 0.78 O ATOM 0 H SER A 39 6.762 10.329 -8.891 1.00 0.33 H new ATOM 0 HA SER A 39 6.756 8.583 -6.538 1.00 0.35 H new ATOM 0 HB2 SER A 39 9.155 9.818 -6.540 1.00 0.51 H new ATOM 0 HB3 SER A 39 8.838 8.436 -7.571 1.00 0.51 H new ATOM 0 HG SER A 39 9.741 10.224 -8.753 1.00 0.78 H new ATOM 593 N TYR A 40 6.805 10.255 -4.690 1.00 0.32 N ATOM 594 CA TYR A 40 6.594 11.210 -3.616 1.00 0.33 C ATOM 595 C TYR A 40 7.581 10.952 -2.487 1.00 0.31 C ATOM 596 O TYR A 40 7.811 9.804 -2.106 1.00 0.35 O ATOM 597 CB TYR A 40 5.163 11.105 -3.081 1.00 0.44 C ATOM 598 CG TYR A 40 4.095 11.370 -4.120 1.00 0.53 C ATOM 599 CD1 TYR A 40 3.613 10.347 -4.924 1.00 0.68 C ATOM 600 CD2 TYR A 40 3.571 12.641 -4.293 1.00 0.67 C ATOM 601 CE1 TYR A 40 2.637 10.583 -5.874 1.00 0.79 C ATOM 602 CE2 TYR A 40 2.593 12.886 -5.238 1.00 0.80 C ATOM 603 CZ TYR A 40 2.129 11.855 -6.027 1.00 0.80 C ATOM 604 OH TYR A 40 1.154 12.095 -6.971 1.00 0.94 O ATOM 0 H TYR A 40 6.925 9.292 -4.377 1.00 0.32 H new ATOM 0 HA TYR A 40 6.752 12.214 -4.011 1.00 0.33 H new ATOM 0 HB2 TYR A 40 5.013 10.108 -2.667 1.00 0.44 H new ATOM 0 HB3 TYR A 40 5.040 11.812 -2.261 1.00 0.44 H new ATOM 0 HD1 TYR A 40 4.007 9.349 -4.805 1.00 0.68 H new ATOM 0 HD2 TYR A 40 3.933 13.453 -3.680 1.00 0.67 H new ATOM 0 HE1 TYR A 40 2.275 9.775 -6.493 1.00 0.79 H new ATOM 0 HE2 TYR A 40 2.193 13.882 -5.358 1.00 0.80 H new ATOM 0 HH TYR A 40 0.612 11.288 -7.094 1.00 0.94 H new ATOM 614 N ARG A 41 8.171 12.016 -1.965 1.00 0.33 N ATOM 615 CA ARG A 41 9.128 11.899 -0.876 1.00 0.34 C ATOM 616 C ARG A 41 8.637 12.655 0.351 1.00 0.40 C ATOM 617 O ARG A 41 8.082 13.750 0.240 1.00 0.53 O ATOM 618 CB ARG A 41 10.503 12.423 -1.300 1.00 0.40 C ATOM 619 CG ARG A 41 11.518 11.323 -1.578 1.00 0.38 C ATOM 620 CD ARG A 41 11.214 10.600 -2.879 1.00 0.36 C ATOM 621 NE ARG A 41 11.478 11.440 -4.046 1.00 0.40 N ATOM 622 CZ ARG A 41 11.666 10.966 -5.277 1.00 0.48 C ATOM 623 NH1 ARG A 41 11.616 9.663 -5.509 1.00 0.56 N ATOM 624 NH2 ARG A 41 11.902 11.800 -6.282 1.00 0.56 N ATOM 0 H ARG A 41 8.003 12.972 -2.279 1.00 0.33 H new ATOM 0 HA ARG A 41 9.223 10.843 -0.624 1.00 0.34 H new ATOM 0 HB2 ARG A 41 10.389 13.034 -2.195 1.00 0.40 H new ATOM 0 HB3 ARG A 41 10.891 13.074 -0.517 1.00 0.40 H new ATOM 0 HG2 ARG A 41 12.518 11.753 -1.625 1.00 0.38 H new ATOM 0 HG3 ARG A 41 11.516 10.609 -0.755 1.00 0.38 H new ATOM 0 HD2 ARG A 41 11.817 9.694 -2.940 1.00 0.36 H new ATOM 0 HD3 ARG A 41 10.170 10.288 -2.885 1.00 0.36 H new ATOM 0 HE ARG A 41 11.521 12.450 -3.910 1.00 0.40 H new ATOM 0 HH11 ARG A 41 11.433 9.015 -4.743 1.00 0.56 H new ATOM 0 HH12 ARG A 41 11.761 9.307 -6.454 1.00 0.56 H new ATOM 0 HH21 ARG A 41 11.940 12.805 -6.113 1.00 0.56 H new ATOM 0 HH22 ARG A 41 12.046 11.436 -7.224 1.00 0.56 H new ATOM 638 N LYS A 42 8.835 12.063 1.517 1.00 0.36 N ATOM 639 CA LYS A 42 8.413 12.679 2.766 1.00 0.44 C ATOM 640 C LYS A 42 9.428 12.393 3.866 1.00 0.36 C ATOM 641 O LYS A 42 9.836 11.250 4.060 1.00 0.32 O ATOM 642 CB LYS A 42 7.030 12.158 3.168 1.00 0.56 C ATOM 643 CG LYS A 42 6.399 12.912 4.330 1.00 0.72 C ATOM 644 CD LYS A 42 5.076 12.287 4.748 1.00 1.07 C ATOM 645 CE LYS A 42 4.552 12.890 6.042 1.00 1.33 C ATOM 646 NZ LYS A 42 3.975 14.243 5.833 1.00 1.46 N ATOM 0 H LYS A 42 9.286 11.155 1.626 1.00 0.36 H new ATOM 0 HA LYS A 42 8.353 13.758 2.623 1.00 0.44 H new ATOM 0 HB2 LYS A 42 6.366 12.218 2.306 1.00 0.56 H new ATOM 0 HB3 LYS A 42 7.113 11.104 3.434 1.00 0.56 H new ATOM 0 HG2 LYS A 42 7.084 12.916 5.177 1.00 0.72 H new ATOM 0 HG3 LYS A 42 6.238 13.952 4.046 1.00 0.72 H new ATOM 0 HD2 LYS A 42 4.340 12.429 3.956 1.00 1.07 H new ATOM 0 HD3 LYS A 42 5.205 11.212 4.874 1.00 1.07 H new ATOM 0 HE2 LYS A 42 3.792 12.234 6.466 1.00 1.33 H new ATOM 0 HE3 LYS A 42 5.363 12.950 6.768 1.00 1.33 H new ATOM 0 HZ1 LYS A 42 3.723 14.659 6.752 1.00 1.46 H new ATOM 0 HZ2 LYS A 42 4.675 14.849 5.359 1.00 1.46 H new ATOM 0 HZ3 LYS A 42 3.123 14.169 5.241 1.00 1.46 H new ATOM 660 N GLN A 43 9.829 13.430 4.583 1.00 0.46 N ATOM 661 CA GLN A 43 10.806 13.286 5.658 1.00 0.42 C ATOM 662 C GLN A 43 10.107 13.289 7.012 1.00 0.48 C ATOM 663 O GLN A 43 9.540 14.298 7.430 1.00 0.63 O ATOM 664 CB GLN A 43 11.852 14.406 5.578 1.00 0.53 C ATOM 665 CG GLN A 43 11.260 15.779 5.290 1.00 0.73 C ATOM 666 CD GLN A 43 12.313 16.831 5.008 1.00 1.26 C ATOM 667 OE1 GLN A 43 12.816 17.487 5.918 1.00 1.75 O ATOM 668 NE2 GLN A 43 12.650 17.004 3.740 1.00 1.89 N ATOM 0 H GLN A 43 9.494 14.383 4.442 1.00 0.46 H new ATOM 0 HA GLN A 43 11.319 12.331 5.543 1.00 0.42 H new ATOM 0 HB2 GLN A 43 12.400 14.447 6.519 1.00 0.53 H new ATOM 0 HB3 GLN A 43 12.574 14.161 4.799 1.00 0.53 H new ATOM 0 HG2 GLN A 43 10.588 15.707 4.434 1.00 0.73 H new ATOM 0 HG3 GLN A 43 10.658 16.095 6.142 1.00 0.73 H new ATOM 0 HE21 GLN A 43 12.209 16.439 3.014 1.00 1.89 H new ATOM 0 HE22 GLN A 43 13.350 17.702 3.489 1.00 1.89 H new ATOM 677 N VAL A 44 10.133 12.144 7.687 1.00 0.41 N ATOM 678 CA VAL A 44 9.489 12.003 8.991 1.00 0.50 C ATOM 679 C VAL A 44 10.410 11.299 9.981 1.00 0.41 C ATOM 680 O VAL A 44 11.242 10.473 9.592 1.00 0.38 O ATOM 681 CB VAL A 44 8.172 11.189 8.899 1.00 0.65 C ATOM 682 CG1 VAL A 44 7.205 11.596 10.000 1.00 0.92 C ATOM 683 CG2 VAL A 44 7.524 11.332 7.526 1.00 1.09 C ATOM 0 H VAL A 44 10.594 11.298 7.353 1.00 0.41 H new ATOM 0 HA VAL A 44 9.267 13.013 9.334 1.00 0.50 H new ATOM 0 HB VAL A 44 8.423 10.137 9.038 1.00 0.65 H new ATOM 0 HG11 VAL A 44 6.289 11.011 9.914 1.00 0.92 H new ATOM 0 HG12 VAL A 44 7.663 11.413 10.972 1.00 0.92 H new ATOM 0 HG13 VAL A 44 6.969 12.656 9.904 1.00 0.92 H new ATOM 0 HG21 VAL A 44 6.603 10.749 7.496 1.00 1.09 H new ATOM 0 HG22 VAL A 44 7.295 12.381 7.339 1.00 1.09 H new ATOM 0 HG23 VAL A 44 8.209 10.968 6.761 1.00 1.09 H new ATOM 693 N VAL A 45 10.261 11.634 11.254 1.00 0.46 N ATOM 694 CA VAL A 45 11.054 11.021 12.308 1.00 0.41 C ATOM 695 C VAL A 45 10.296 9.820 12.863 1.00 0.46 C ATOM 696 O VAL A 45 9.465 9.955 13.760 1.00 0.65 O ATOM 697 CB VAL A 45 11.368 12.014 13.449 1.00 0.43 C ATOM 698 CG1 VAL A 45 12.487 11.480 14.326 1.00 0.47 C ATOM 699 CG2 VAL A 45 11.734 13.383 12.894 1.00 0.54 C ATOM 0 H VAL A 45 9.594 12.332 11.583 1.00 0.46 H new ATOM 0 HA VAL A 45 12.006 10.707 11.879 1.00 0.41 H new ATOM 0 HB VAL A 45 10.471 12.124 14.058 1.00 0.43 H new ATOM 0 HG11 VAL A 45 12.695 12.192 15.124 1.00 0.47 H new ATOM 0 HG12 VAL A 45 12.186 10.526 14.760 1.00 0.47 H new ATOM 0 HG13 VAL A 45 13.385 11.337 13.724 1.00 0.47 H new ATOM 0 HG21 VAL A 45 11.950 14.063 13.718 1.00 0.54 H new ATOM 0 HG22 VAL A 45 12.613 13.294 12.256 1.00 0.54 H new ATOM 0 HG23 VAL A 45 10.901 13.774 12.310 1.00 0.54 H new ATOM 709 N ILE A 46 10.580 8.650 12.315 1.00 0.45 N ATOM 710 CA ILE A 46 9.904 7.424 12.721 1.00 0.52 C ATOM 711 C ILE A 46 10.652 6.709 13.837 1.00 0.47 C ATOM 712 O ILE A 46 11.765 6.217 13.637 1.00 0.47 O ATOM 713 CB ILE A 46 9.735 6.461 11.528 1.00 0.65 C ATOM 714 CG1 ILE A 46 8.978 7.161 10.394 1.00 0.79 C ATOM 715 CG2 ILE A 46 9.008 5.193 11.962 1.00 1.06 C ATOM 716 CD1 ILE A 46 8.797 6.304 9.162 1.00 0.81 C ATOM 0 H ILE A 46 11.278 8.521 11.583 1.00 0.45 H new ATOM 0 HA ILE A 46 8.922 7.718 13.091 1.00 0.52 H new ATOM 0 HB ILE A 46 10.722 6.175 11.163 1.00 0.65 H new ATOM 0 HG12 ILE A 46 7.998 7.468 10.759 1.00 0.79 H new ATOM 0 HG13 ILE A 46 9.514 8.069 10.118 1.00 0.79 H new ATOM 0 HG21 ILE A 46 8.898 4.526 11.107 1.00 1.06 H new ATOM 0 HG22 ILE A 46 9.583 4.693 12.741 1.00 1.06 H new ATOM 0 HG23 ILE A 46 8.022 5.453 12.349 1.00 1.06 H new ATOM 0 HD11 ILE A 46 8.253 6.867 8.404 1.00 0.81 H new ATOM 0 HD12 ILE A 46 9.773 6.018 8.771 1.00 0.81 H new ATOM 0 HD13 ILE A 46 8.234 5.408 9.422 1.00 0.81 H new ATOM 728 N ASP A 47 10.021 6.650 15.009 1.00 0.48 N ATOM 729 CA ASP A 47 10.591 5.995 16.191 1.00 0.50 C ATOM 730 C ASP A 47 11.931 6.616 16.570 1.00 0.45 C ATOM 731 O ASP A 47 12.857 5.917 16.980 1.00 0.53 O ATOM 732 CB ASP A 47 10.750 4.482 15.969 1.00 0.56 C ATOM 733 CG ASP A 47 9.480 3.700 16.254 1.00 0.65 C ATOM 734 OD1 ASP A 47 8.555 4.259 16.879 1.00 0.97 O ATOM 735 OD2 ASP A 47 9.399 2.515 15.855 1.00 0.79 O ATOM 0 H ASP A 47 9.099 7.055 15.168 1.00 0.48 H new ATOM 0 HA ASP A 47 9.894 6.148 17.015 1.00 0.50 H new ATOM 0 HB2 ASP A 47 11.056 4.303 14.938 1.00 0.56 H new ATOM 0 HB3 ASP A 47 11.550 4.109 16.609 1.00 0.56 H new ATOM 740 N GLY A 48 12.026 7.933 16.422 1.00 0.41 N ATOM 741 CA GLY A 48 13.244 8.638 16.764 1.00 0.43 C ATOM 742 C GLY A 48 14.262 8.657 15.642 1.00 0.43 C ATOM 743 O GLY A 48 15.305 9.304 15.755 1.00 0.60 O ATOM 0 H GLY A 48 11.275 8.526 16.069 1.00 0.41 H new ATOM 0 HA2 GLY A 48 12.997 9.664 17.038 1.00 0.43 H new ATOM 0 HA3 GLY A 48 13.691 8.172 17.642 1.00 0.43 H new ATOM 747 N GLU A 49 13.966 7.959 14.558 1.00 0.40 N ATOM 748 CA GLU A 49 14.877 7.896 13.428 1.00 0.43 C ATOM 749 C GLU A 49 14.347 8.680 12.229 1.00 0.34 C ATOM 750 O GLU A 49 13.305 8.341 11.661 1.00 0.36 O ATOM 751 CB GLU A 49 15.124 6.437 13.038 1.00 0.52 C ATOM 752 CG GLU A 49 15.874 5.646 14.098 1.00 0.72 C ATOM 753 CD GLU A 49 17.353 5.955 14.114 1.00 0.96 C ATOM 754 OE1 GLU A 49 17.729 7.118 14.390 1.00 1.30 O ATOM 755 OE2 GLU A 49 18.153 5.031 13.851 1.00 1.41 O ATOM 0 H GLU A 49 13.103 7.429 14.437 1.00 0.40 H new ATOM 0 HA GLU A 49 15.818 8.355 13.731 1.00 0.43 H new ATOM 0 HB2 GLU A 49 14.166 5.954 12.845 1.00 0.52 H new ATOM 0 HB3 GLU A 49 15.689 6.409 12.107 1.00 0.52 H new ATOM 0 HG2 GLU A 49 15.450 5.865 15.078 1.00 0.72 H new ATOM 0 HG3 GLU A 49 15.731 4.580 13.920 1.00 0.72 H new ATOM 762 N THR A 50 15.064 9.733 11.854 1.00 0.35 N ATOM 763 CA THR A 50 14.683 10.552 10.714 1.00 0.32 C ATOM 764 C THR A 50 14.895 9.770 9.424 1.00 0.30 C ATOM 765 O THR A 50 16.018 9.380 9.100 1.00 0.38 O ATOM 766 CB THR A 50 15.503 11.854 10.666 1.00 0.45 C ATOM 767 OG1 THR A 50 15.955 12.189 11.989 1.00 0.63 O ATOM 768 CG2 THR A 50 14.675 12.996 10.089 1.00 0.47 C ATOM 0 H THR A 50 15.915 10.039 12.326 1.00 0.35 H new ATOM 0 HA THR A 50 13.630 10.812 10.820 1.00 0.32 H new ATOM 0 HB THR A 50 16.365 11.699 10.017 1.00 0.45 H new ATOM 0 HG1 THR A 50 16.478 13.017 11.956 1.00 0.63 H new ATOM 0 HG21 THR A 50 15.276 13.905 10.065 1.00 0.47 H new ATOM 0 HG22 THR A 50 14.361 12.742 9.077 1.00 0.47 H new ATOM 0 HG23 THR A 50 13.795 13.159 10.712 1.00 0.47 H new ATOM 776 N CYS A 51 13.818 9.514 8.702 1.00 0.31 N ATOM 777 CA CYS A 51 13.912 8.751 7.472 1.00 0.40 C ATOM 778 C CYS A 51 13.208 9.453 6.318 1.00 0.34 C ATOM 779 O CYS A 51 12.248 10.200 6.518 1.00 0.35 O ATOM 780 CB CYS A 51 13.314 7.360 7.686 1.00 0.53 C ATOM 781 SG CYS A 51 13.906 6.520 9.179 1.00 0.71 S ATOM 0 H CYS A 51 12.876 9.821 8.944 1.00 0.31 H new ATOM 0 HA CYS A 51 14.966 8.662 7.208 1.00 0.40 H new ATOM 0 HB2 CYS A 51 12.229 7.447 7.738 1.00 0.53 H new ATOM 0 HB3 CYS A 51 13.543 6.741 6.819 1.00 0.53 H new ATOM 0 HG CYS A 51 13.666 7.263 10.219 1.00 0.71 H new ATOM 787 N LEU A 52 13.690 9.200 5.112 1.00 0.32 N ATOM 788 CA LEU A 52 13.107 9.790 3.922 1.00 0.30 C ATOM 789 C LEU A 52 12.285 8.737 3.200 1.00 0.28 C ATOM 790 O LEU A 52 12.824 7.743 2.712 1.00 0.35 O ATOM 791 CB LEU A 52 14.197 10.349 3.008 1.00 0.37 C ATOM 792 CG LEU A 52 13.693 11.123 1.787 1.00 0.40 C ATOM 793 CD1 LEU A 52 13.057 12.436 2.213 1.00 0.48 C ATOM 794 CD2 LEU A 52 14.831 11.379 0.815 1.00 0.47 C ATOM 0 H LEU A 52 14.486 8.588 4.933 1.00 0.32 H new ATOM 0 HA LEU A 52 12.459 10.619 4.208 1.00 0.30 H new ATOM 0 HB2 LEU A 52 14.839 11.006 3.595 1.00 0.37 H new ATOM 0 HB3 LEU A 52 14.818 9.522 2.663 1.00 0.37 H new ATOM 0 HG LEU A 52 12.937 10.519 1.286 1.00 0.40 H new ATOM 0 HD11 LEU A 52 12.705 12.972 1.332 1.00 0.48 H new ATOM 0 HD12 LEU A 52 12.215 12.234 2.876 1.00 0.48 H new ATOM 0 HD13 LEU A 52 13.794 13.044 2.737 1.00 0.48 H new ATOM 0 HD21 LEU A 52 14.456 11.930 -0.047 1.00 0.47 H new ATOM 0 HD22 LEU A 52 15.607 11.963 1.309 1.00 0.47 H new ATOM 0 HD23 LEU A 52 15.248 10.428 0.484 1.00 0.47 H new ATOM 806 N LEU A 53 10.981 8.945 3.168 1.00 0.27 N ATOM 807 CA LEU A 53 10.072 8.010 2.529 1.00 0.29 C ATOM 808 C LEU A 53 9.999 8.223 1.025 1.00 0.25 C ATOM 809 O LEU A 53 9.742 9.330 0.554 1.00 0.30 O ATOM 810 CB LEU A 53 8.667 8.136 3.127 1.00 0.37 C ATOM 811 CG LEU A 53 8.507 7.568 4.535 1.00 0.39 C ATOM 812 CD1 LEU A 53 7.227 8.085 5.169 1.00 0.59 C ATOM 813 CD2 LEU A 53 8.507 6.047 4.497 1.00 0.87 C ATOM 0 H LEU A 53 10.525 9.759 3.580 1.00 0.27 H new ATOM 0 HA LEU A 53 10.464 7.009 2.712 1.00 0.29 H new ATOM 0 HB2 LEU A 53 8.390 9.190 3.144 1.00 0.37 H new ATOM 0 HB3 LEU A 53 7.962 7.632 2.467 1.00 0.37 H new ATOM 0 HG LEU A 53 9.351 7.897 5.141 1.00 0.39 H new ATOM 0 HD11 LEU A 53 7.126 7.672 6.173 1.00 0.59 H new ATOM 0 HD12 LEU A 53 7.263 9.173 5.226 1.00 0.59 H new ATOM 0 HD13 LEU A 53 6.373 7.781 4.564 1.00 0.59 H new ATOM 0 HD21 LEU A 53 8.392 5.658 5.509 1.00 0.87 H new ATOM 0 HD22 LEU A 53 7.680 5.699 3.878 1.00 0.87 H new ATOM 0 HD23 LEU A 53 9.449 5.694 4.077 1.00 0.87 H new ATOM 825 N ASP A 54 10.247 7.154 0.293 1.00 0.23 N ATOM 826 CA ASP A 54 10.173 7.167 -1.161 1.00 0.24 C ATOM 827 C ASP A 54 8.968 6.336 -1.581 1.00 0.24 C ATOM 828 O ASP A 54 9.068 5.127 -1.778 1.00 0.28 O ATOM 829 CB ASP A 54 11.468 6.608 -1.770 1.00 0.26 C ATOM 830 CG ASP A 54 11.471 6.637 -3.285 1.00 0.39 C ATOM 831 OD1 ASP A 54 11.118 7.683 -3.862 1.00 0.96 O ATOM 832 OD2 ASP A 54 11.851 5.623 -3.909 1.00 1.03 O ATOM 0 H ASP A 54 10.506 6.250 0.687 1.00 0.23 H new ATOM 0 HA ASP A 54 10.059 8.188 -1.524 1.00 0.24 H new ATOM 0 HB2 ASP A 54 12.316 7.185 -1.399 1.00 0.26 H new ATOM 0 HB3 ASP A 54 11.608 5.581 -1.432 1.00 0.26 H new ATOM 837 N ILE A 55 7.818 6.987 -1.672 1.00 0.24 N ATOM 838 CA ILE A 55 6.579 6.309 -2.021 1.00 0.27 C ATOM 839 C ILE A 55 6.224 6.498 -3.484 1.00 0.26 C ATOM 840 O ILE A 55 6.238 7.616 -3.994 1.00 0.34 O ATOM 841 CB ILE A 55 5.408 6.831 -1.158 1.00 0.34 C ATOM 842 CG1 ILE A 55 5.820 6.946 0.315 1.00 0.46 C ATOM 843 CG2 ILE A 55 4.189 5.931 -1.303 1.00 0.40 C ATOM 844 CD1 ILE A 55 4.791 7.643 1.187 1.00 0.68 C ATOM 0 H ILE A 55 7.717 7.989 -1.508 1.00 0.24 H new ATOM 0 HA ILE A 55 6.739 5.248 -1.831 1.00 0.27 H new ATOM 0 HB ILE A 55 5.145 7.827 -1.515 1.00 0.34 H new ATOM 0 HG12 ILE A 55 6.001 5.947 0.711 1.00 0.46 H new ATOM 0 HG13 ILE A 55 6.763 7.489 0.377 1.00 0.46 H new ATOM 0 HG21 ILE A 55 3.377 6.317 -0.687 1.00 0.40 H new ATOM 0 HG22 ILE A 55 3.875 5.909 -2.346 1.00 0.40 H new ATOM 0 HG23 ILE A 55 4.442 4.921 -0.979 1.00 0.40 H new ATOM 0 HD11 ILE A 55 5.154 7.686 2.214 1.00 0.68 H new ATOM 0 HD12 ILE A 55 4.627 8.655 0.818 1.00 0.68 H new ATOM 0 HD13 ILE A 55 3.853 7.089 1.156 1.00 0.68 H new ATOM 856 N LEU A 56 5.917 5.397 -4.154 1.00 0.30 N ATOM 857 CA LEU A 56 5.533 5.439 -5.556 1.00 0.32 C ATOM 858 C LEU A 56 4.094 4.956 -5.712 1.00 0.33 C ATOM 859 O LEU A 56 3.806 3.763 -5.575 1.00 0.39 O ATOM 860 CB LEU A 56 6.481 4.583 -6.401 1.00 0.37 C ATOM 861 CG LEU A 56 6.373 4.770 -7.923 1.00 0.42 C ATOM 862 CD1 LEU A 56 6.808 6.169 -8.327 1.00 0.45 C ATOM 863 CD2 LEU A 56 7.216 3.733 -8.645 1.00 0.46 C ATOM 0 H LEU A 56 5.927 4.462 -3.747 1.00 0.30 H new ATOM 0 HA LEU A 56 5.601 6.468 -5.909 1.00 0.32 H new ATOM 0 HB2 LEU A 56 7.505 4.802 -6.099 1.00 0.37 H new ATOM 0 HB3 LEU A 56 6.298 3.534 -6.169 1.00 0.37 H new ATOM 0 HG LEU A 56 5.329 4.637 -8.208 1.00 0.42 H new ATOM 0 HD11 LEU A 56 6.723 6.278 -9.408 1.00 0.45 H new ATOM 0 HD12 LEU A 56 6.170 6.904 -7.837 1.00 0.45 H new ATOM 0 HD13 LEU A 56 7.843 6.329 -8.026 1.00 0.45 H new ATOM 0 HD21 LEU A 56 7.129 3.879 -9.722 1.00 0.46 H new ATOM 0 HD22 LEU A 56 8.259 3.841 -8.347 1.00 0.46 H new ATOM 0 HD23 LEU A 56 6.866 2.734 -8.385 1.00 0.46 H new ATOM 875 N ASP A 57 3.194 5.894 -5.982 1.00 0.32 N ATOM 876 CA ASP A 57 1.774 5.577 -6.150 1.00 0.34 C ATOM 877 C ASP A 57 1.537 4.919 -7.502 1.00 0.36 C ATOM 878 O ASP A 57 1.754 5.532 -8.543 1.00 0.40 O ATOM 879 CB ASP A 57 0.913 6.844 -6.008 1.00 0.35 C ATOM 880 CG ASP A 57 -0.432 6.745 -6.713 1.00 0.37 C ATOM 881 OD1 ASP A 57 -1.292 5.928 -6.362 1.00 0.37 O ATOM 882 OD2 ASP A 57 -0.726 7.516 -7.631 1.00 0.44 O ATOM 0 H ASP A 57 3.419 6.883 -6.090 1.00 0.32 H new ATOM 0 HA ASP A 57 1.482 4.878 -5.366 1.00 0.34 H new ATOM 0 HB2 ASP A 57 0.746 7.044 -4.950 1.00 0.35 H new ATOM 0 HB3 ASP A 57 1.463 7.695 -6.410 1.00 0.35 H new ATOM 887 N THR A 58 1.096 3.668 -7.478 1.00 0.40 N ATOM 888 CA THR A 58 0.853 2.919 -8.699 1.00 0.44 C ATOM 889 C THR A 58 -0.402 3.389 -9.421 1.00 0.41 C ATOM 890 O THR A 58 -1.312 3.980 -8.821 1.00 0.49 O ATOM 891 CB THR A 58 0.731 1.412 -8.413 1.00 0.53 C ATOM 892 OG1 THR A 58 -0.264 1.189 -7.406 1.00 0.61 O ATOM 893 CG2 THR A 58 2.066 0.827 -7.966 1.00 0.73 C ATOM 0 H THR A 58 0.899 3.151 -6.621 1.00 0.40 H new ATOM 0 HA THR A 58 1.713 3.100 -9.344 1.00 0.44 H new ATOM 0 HB THR A 58 0.434 0.911 -9.335 1.00 0.53 H new ATOM 0 HG1 THR A 58 0.150 1.245 -6.519 1.00 0.61 H new ATOM 0 HG21 THR A 58 1.949 -0.239 -7.771 1.00 0.73 H new ATOM 0 HG22 THR A 58 2.808 0.973 -8.751 1.00 0.73 H new ATOM 0 HG23 THR A 58 2.396 1.328 -7.056 1.00 0.73 H new ATOM 901 N ALA A 59 -0.426 3.129 -10.719 1.00 0.41 N ATOM 902 CA ALA A 59 -1.550 3.481 -11.562 1.00 0.39 C ATOM 903 C ALA A 59 -2.293 2.222 -11.990 1.00 0.40 C ATOM 904 O ALA A 59 -3.495 2.083 -11.759 1.00 0.56 O ATOM 905 CB ALA A 59 -1.081 4.264 -12.781 1.00 0.43 C ATOM 0 H ALA A 59 0.336 2.667 -11.215 1.00 0.41 H new ATOM 0 HA ALA A 59 -2.230 4.114 -10.992 1.00 0.39 H new ATOM 0 HB1 ALA A 59 -1.940 4.519 -13.402 1.00 0.43 H new ATOM 0 HB2 ALA A 59 -0.583 5.178 -12.457 1.00 0.43 H new ATOM 0 HB3 ALA A 59 -0.384 3.656 -13.358 1.00 0.43 H new ATOM 911 N GLY A 60 -1.562 1.299 -12.604 1.00 0.42 N ATOM 912 CA GLY A 60 -2.148 0.057 -13.061 1.00 0.46 C ATOM 913 C GLY A 60 -1.176 -0.756 -13.893 1.00 0.47 C ATOM 914 O GLY A 60 -0.458 -1.603 -13.363 1.00 0.72 O ATOM 0 H GLY A 60 -0.564 1.392 -12.794 1.00 0.42 H new ATOM 0 HA2 GLY A 60 -2.469 -0.531 -12.201 1.00 0.46 H new ATOM 0 HA3 GLY A 60 -3.039 0.272 -13.651 1.00 0.46 H new ATOM 918 N GLN A 61 -1.147 -0.492 -15.191 1.00 0.43 N ATOM 919 CA GLN A 61 -0.256 -1.195 -16.100 1.00 0.51 C ATOM 920 C GLN A 61 0.633 -0.198 -16.832 1.00 0.44 C ATOM 921 O GLN A 61 0.141 0.771 -17.414 1.00 0.63 O ATOM 922 CB GLN A 61 -1.058 -2.025 -17.109 1.00 0.71 C ATOM 923 CG GLN A 61 -1.968 -3.062 -16.468 1.00 0.80 C ATOM 924 CD GLN A 61 -1.202 -4.126 -15.704 1.00 1.04 C ATOM 925 OE1 GLN A 61 -0.085 -4.489 -16.069 1.00 1.23 O ATOM 926 NE2 GLN A 61 -1.798 -4.636 -14.643 1.00 1.26 N ATOM 0 H GLN A 61 -1.735 0.210 -15.640 1.00 0.43 H new ATOM 0 HA GLN A 61 0.370 -1.871 -15.518 1.00 0.51 H new ATOM 0 HB2 GLN A 61 -1.662 -1.353 -17.719 1.00 0.71 H new ATOM 0 HB3 GLN A 61 -0.365 -2.530 -17.782 1.00 0.71 H new ATOM 0 HG2 GLN A 61 -2.660 -2.562 -15.790 1.00 0.80 H new ATOM 0 HG3 GLN A 61 -2.569 -3.539 -17.242 1.00 0.80 H new ATOM 0 HE21 GLN A 61 -2.725 -4.308 -14.372 1.00 1.26 H new ATOM 0 HE22 GLN A 61 -1.331 -5.358 -14.094 1.00 1.26 H new ATOM 935 N GLU A 62 1.935 -0.433 -16.790 1.00 0.51 N ATOM 936 CA GLU A 62 2.893 0.449 -17.441 1.00 0.54 C ATOM 937 C GLU A 62 3.111 0.045 -18.894 1.00 0.54 C ATOM 938 O GLU A 62 2.436 -0.851 -19.405 1.00 0.59 O ATOM 939 CB GLU A 62 4.221 0.438 -16.682 1.00 0.70 C ATOM 940 CG GLU A 62 4.250 1.375 -15.484 1.00 0.81 C ATOM 941 CD GLU A 62 3.984 2.819 -15.865 1.00 0.96 C ATOM 942 OE1 GLU A 62 4.954 3.550 -16.160 1.00 1.57 O ATOM 943 OE2 GLU A 62 2.805 3.234 -15.878 1.00 1.43 O ATOM 0 H GLU A 62 2.354 -1.230 -16.310 1.00 0.51 H new ATOM 0 HA GLU A 62 2.486 1.460 -17.429 1.00 0.54 H new ATOM 0 HB2 GLU A 62 4.427 -0.577 -16.343 1.00 0.70 H new ATOM 0 HB3 GLU A 62 5.023 0.714 -17.367 1.00 0.70 H new ATOM 0 HG2 GLU A 62 3.505 1.052 -14.757 1.00 0.81 H new ATOM 0 HG3 GLU A 62 5.222 1.305 -14.996 1.00 0.81 H new ATOM 950 N GLU A 63 4.063 0.703 -19.547 1.00 0.55 N ATOM 951 CA GLU A 63 4.369 0.428 -20.944 1.00 0.59 C ATOM 952 C GLU A 63 4.875 -1.001 -21.124 1.00 0.47 C ATOM 953 O GLU A 63 4.416 -1.719 -22.010 1.00 0.50 O ATOM 954 CB GLU A 63 5.404 1.429 -21.468 1.00 0.70 C ATOM 955 CG GLU A 63 5.833 1.170 -22.904 1.00 0.96 C ATOM 956 CD GLU A 63 6.545 2.354 -23.517 1.00 1.10 C ATOM 957 OE1 GLU A 63 7.407 2.951 -22.843 1.00 1.32 O ATOM 958 OE2 GLU A 63 6.251 2.685 -24.681 1.00 1.38 O ATOM 0 H GLU A 63 4.638 1.434 -19.128 1.00 0.55 H new ATOM 0 HA GLU A 63 3.450 0.536 -21.520 1.00 0.59 H new ATOM 0 HB2 GLU A 63 4.991 2.435 -21.397 1.00 0.70 H new ATOM 0 HB3 GLU A 63 6.283 1.399 -20.825 1.00 0.70 H new ATOM 0 HG2 GLU A 63 6.490 0.300 -22.933 1.00 0.96 H new ATOM 0 HG3 GLU A 63 4.956 0.927 -23.504 1.00 0.96 H new ATOM 965 N TYR A 64 5.820 -1.414 -20.284 1.00 0.40 N ATOM 966 CA TYR A 64 6.368 -2.760 -20.365 1.00 0.34 C ATOM 967 C TYR A 64 6.200 -3.485 -19.038 1.00 0.30 C ATOM 968 O TYR A 64 6.230 -2.865 -17.974 1.00 0.30 O ATOM 969 CB TYR A 64 7.851 -2.726 -20.750 1.00 0.36 C ATOM 970 CG TYR A 64 8.143 -1.968 -22.028 1.00 0.44 C ATOM 971 CD1 TYR A 64 7.665 -2.419 -23.255 1.00 0.59 C ATOM 972 CD2 TYR A 64 8.894 -0.799 -22.007 1.00 0.66 C ATOM 973 CE1 TYR A 64 7.925 -1.724 -24.422 1.00 0.68 C ATOM 974 CE2 TYR A 64 9.160 -0.100 -23.169 1.00 0.76 C ATOM 975 CZ TYR A 64 8.672 -0.567 -24.375 1.00 0.67 C ATOM 976 OH TYR A 64 8.925 0.131 -25.537 1.00 0.81 O ATOM 0 H TYR A 64 6.219 -0.837 -19.543 1.00 0.40 H new ATOM 0 HA TYR A 64 5.819 -3.297 -21.138 1.00 0.34 H new ATOM 0 HB2 TYR A 64 8.416 -2.273 -19.935 1.00 0.36 H new ATOM 0 HB3 TYR A 64 8.211 -3.749 -20.857 1.00 0.36 H new ATOM 0 HD1 TYR A 64 7.081 -3.327 -23.296 1.00 0.59 H new ATOM 0 HD2 TYR A 64 9.276 -0.430 -21.067 1.00 0.66 H new ATOM 0 HE1 TYR A 64 7.544 -2.086 -25.366 1.00 0.68 H new ATOM 0 HE2 TYR A 64 9.746 0.806 -23.135 1.00 0.76 H new ATOM 0 HH TYR A 64 9.464 0.923 -25.332 1.00 0.81 H new ATOM 986 N SER A 65 6.036 -4.797 -19.108 1.00 0.32 N ATOM 987 CA SER A 65 5.863 -5.623 -17.920 1.00 0.34 C ATOM 988 C SER A 65 7.086 -5.521 -17.010 1.00 0.30 C ATOM 989 O SER A 65 6.969 -5.545 -15.784 1.00 0.35 O ATOM 990 CB SER A 65 5.626 -7.074 -18.338 1.00 0.40 C ATOM 991 OG SER A 65 4.812 -7.140 -19.500 1.00 0.63 O ATOM 0 H SER A 65 6.019 -5.318 -19.984 1.00 0.32 H new ATOM 0 HA SER A 65 4.998 -5.266 -17.362 1.00 0.34 H new ATOM 0 HB2 SER A 65 6.582 -7.562 -18.530 1.00 0.40 H new ATOM 0 HB3 SER A 65 5.148 -7.618 -17.523 1.00 0.40 H new ATOM 0 HG SER A 65 4.675 -8.077 -19.750 1.00 0.63 H new ATOM 997 N ALA A 66 8.256 -5.381 -17.624 1.00 0.26 N ATOM 998 CA ALA A 66 9.508 -5.268 -16.885 1.00 0.26 C ATOM 999 C ALA A 66 9.526 -4.017 -16.009 1.00 0.26 C ATOM 1000 O ALA A 66 10.176 -3.993 -14.962 1.00 0.32 O ATOM 1001 CB ALA A 66 10.685 -5.253 -17.844 1.00 0.26 C ATOM 0 H ALA A 66 8.363 -5.343 -18.638 1.00 0.26 H new ATOM 0 HA ALA A 66 9.591 -6.137 -16.232 1.00 0.26 H new ATOM 0 HB1 ALA A 66 11.613 -5.168 -17.279 1.00 0.26 H new ATOM 0 HB2 ALA A 66 10.695 -6.177 -18.422 1.00 0.26 H new ATOM 0 HB3 ALA A 66 10.593 -4.403 -18.520 1.00 0.26 H new ATOM 1007 N MET A 67 8.805 -2.986 -16.438 1.00 0.25 N ATOM 1008 CA MET A 67 8.729 -1.735 -15.693 1.00 0.30 C ATOM 1009 C MET A 67 7.931 -1.943 -14.414 1.00 0.30 C ATOM 1010 O MET A 67 8.323 -1.495 -13.338 1.00 0.34 O ATOM 1011 CB MET A 67 8.061 -0.649 -16.532 1.00 0.36 C ATOM 1012 CG MET A 67 8.870 -0.217 -17.740 1.00 0.50 C ATOM 1013 SD MET A 67 7.897 0.742 -18.918 1.00 0.63 S ATOM 1014 CE MET A 67 7.504 2.195 -17.944 1.00 0.69 C ATOM 0 H MET A 67 8.263 -2.993 -17.302 1.00 0.25 H new ATOM 0 HA MET A 67 9.743 -1.419 -15.448 1.00 0.30 H new ATOM 0 HB2 MET A 67 7.089 -1.011 -16.869 1.00 0.36 H new ATOM 0 HB3 MET A 67 7.876 0.221 -15.901 1.00 0.36 H new ATOM 0 HG2 MET A 67 9.722 0.377 -17.409 1.00 0.50 H new ATOM 0 HG3 MET A 67 9.271 -1.099 -18.239 1.00 0.50 H new ATOM 0 HE1 MET A 67 6.949 2.905 -18.557 1.00 0.69 H new ATOM 0 HE2 MET A 67 6.897 1.905 -17.086 1.00 0.69 H new ATOM 0 HE3 MET A 67 8.426 2.660 -17.595 1.00 0.69 H new ATOM 1024 N ARG A 68 6.812 -2.639 -14.546 1.00 0.31 N ATOM 1025 CA ARG A 68 5.944 -2.934 -13.412 1.00 0.36 C ATOM 1026 C ARG A 68 6.663 -3.858 -12.434 1.00 0.37 C ATOM 1027 O ARG A 68 6.577 -3.697 -11.217 1.00 0.41 O ATOM 1028 CB ARG A 68 4.650 -3.586 -13.904 1.00 0.43 C ATOM 1029 CG ARG A 68 3.754 -4.115 -12.793 1.00 0.55 C ATOM 1030 CD ARG A 68 2.982 -5.338 -13.257 1.00 0.62 C ATOM 1031 NE ARG A 68 3.875 -6.394 -13.742 1.00 0.64 N ATOM 1032 CZ ARG A 68 3.665 -7.108 -14.849 1.00 0.76 C ATOM 1033 NH1 ARG A 68 2.593 -6.886 -15.596 1.00 0.90 N ATOM 1034 NH2 ARG A 68 4.533 -8.046 -15.205 1.00 0.86 N ATOM 0 H ARG A 68 6.480 -3.014 -15.435 1.00 0.31 H new ATOM 0 HA ARG A 68 5.696 -2.005 -12.899 1.00 0.36 H new ATOM 0 HB2 ARG A 68 4.090 -2.858 -14.491 1.00 0.43 H new ATOM 0 HB3 ARG A 68 4.903 -4.408 -14.574 1.00 0.43 H new ATOM 0 HG2 ARG A 68 4.359 -4.370 -11.923 1.00 0.55 H new ATOM 0 HG3 ARG A 68 3.057 -3.337 -12.480 1.00 0.55 H new ATOM 0 HD2 ARG A 68 2.379 -5.721 -12.434 1.00 0.62 H new ATOM 0 HD3 ARG A 68 2.292 -5.053 -14.051 1.00 0.62 H new ATOM 0 HE ARG A 68 4.713 -6.596 -13.197 1.00 0.64 H new ATOM 0 HH11 ARG A 68 1.923 -6.166 -15.326 1.00 0.90 H new ATOM 0 HH12 ARG A 68 2.438 -7.435 -16.441 1.00 0.90 H new ATOM 0 HH21 ARG A 68 5.359 -8.220 -14.633 1.00 0.86 H new ATOM 0 HH22 ARG A 68 4.374 -8.593 -16.051 1.00 0.86 H new ATOM 1048 N ASP A 69 7.407 -4.808 -12.985 1.00 0.37 N ATOM 1049 CA ASP A 69 8.159 -5.767 -12.180 1.00 0.42 C ATOM 1050 C ASP A 69 9.433 -5.133 -11.630 1.00 0.36 C ATOM 1051 O ASP A 69 10.156 -5.752 -10.857 1.00 0.42 O ATOM 1052 CB ASP A 69 8.529 -7.001 -13.015 1.00 0.58 C ATOM 1053 CG ASP A 69 7.387 -7.992 -13.156 1.00 0.78 C ATOM 1054 OD1 ASP A 69 6.218 -7.606 -12.944 1.00 0.94 O ATOM 1055 OD2 ASP A 69 7.654 -9.164 -13.506 1.00 1.41 O ATOM 0 H ASP A 69 7.507 -4.937 -13.992 1.00 0.37 H new ATOM 0 HA ASP A 69 7.524 -6.071 -11.348 1.00 0.42 H new ATOM 0 HB2 ASP A 69 8.846 -6.679 -14.007 1.00 0.58 H new ATOM 0 HB3 ASP A 69 9.381 -7.501 -12.554 1.00 0.58 H new ATOM 1060 N GLN A 70 9.709 -3.900 -12.038 1.00 0.32 N ATOM 1061 CA GLN A 70 10.910 -3.201 -11.594 1.00 0.31 C ATOM 1062 C GLN A 70 10.791 -2.744 -10.146 1.00 0.26 C ATOM 1063 O GLN A 70 11.548 -3.198 -9.290 1.00 0.33 O ATOM 1064 CB GLN A 70 11.205 -1.993 -12.487 1.00 0.34 C ATOM 1065 CG GLN A 70 12.582 -1.387 -12.252 1.00 0.43 C ATOM 1066 CD GLN A 70 12.751 -0.043 -12.931 1.00 0.96 C ATOM 1067 OE1 GLN A 70 13.150 0.033 -14.094 1.00 1.51 O ATOM 1068 NE2 GLN A 70 12.464 1.032 -12.210 1.00 1.30 N ATOM 0 H GLN A 70 9.119 -3.364 -12.674 1.00 0.32 H new ATOM 0 HA GLN A 70 11.734 -3.910 -11.667 1.00 0.31 H new ATOM 0 HB2 GLN A 70 11.123 -2.294 -13.531 1.00 0.34 H new ATOM 0 HB3 GLN A 70 10.446 -1.230 -12.315 1.00 0.34 H new ATOM 0 HG2 GLN A 70 12.746 -1.272 -11.181 1.00 0.43 H new ATOM 0 HG3 GLN A 70 13.345 -2.074 -12.619 1.00 0.43 H new ATOM 0 HE21 GLN A 70 12.136 0.929 -11.250 1.00 1.30 H new ATOM 0 HE22 GLN A 70 12.571 1.962 -12.616 1.00 1.30 H new ATOM 1077 N TYR A 71 9.832 -1.860 -9.870 1.00 0.23 N ATOM 1078 CA TYR A 71 9.649 -1.344 -8.518 1.00 0.27 C ATOM 1079 C TYR A 71 9.173 -2.439 -7.575 1.00 0.24 C ATOM 1080 O TYR A 71 9.274 -2.304 -6.358 1.00 0.29 O ATOM 1081 CB TYR A 71 8.692 -0.143 -8.478 1.00 0.37 C ATOM 1082 CG TYR A 71 7.590 -0.156 -9.514 1.00 0.44 C ATOM 1083 CD1 TYR A 71 6.446 -0.927 -9.344 1.00 0.53 C ATOM 1084 CD2 TYR A 71 7.681 0.640 -10.648 1.00 0.67 C ATOM 1085 CE1 TYR A 71 5.426 -0.904 -10.278 1.00 0.77 C ATOM 1086 CE2 TYR A 71 6.671 0.663 -11.586 1.00 0.86 C ATOM 1087 CZ TYR A 71 5.546 -0.107 -11.397 1.00 0.90 C ATOM 1088 OH TYR A 71 4.535 -0.069 -12.326 1.00 1.17 O ATOM 0 H TYR A 71 9.177 -1.491 -10.559 1.00 0.23 H new ATOM 0 HA TYR A 71 10.624 -0.993 -8.180 1.00 0.27 H new ATOM 0 HB2 TYR A 71 8.237 -0.096 -7.489 1.00 0.37 H new ATOM 0 HB3 TYR A 71 9.275 0.769 -8.604 1.00 0.37 H new ATOM 0 HD1 TYR A 71 6.352 -1.554 -8.469 1.00 0.53 H new ATOM 0 HD2 TYR A 71 8.558 1.252 -10.798 1.00 0.67 H new ATOM 0 HE1 TYR A 71 4.541 -1.506 -10.132 1.00 0.77 H new ATOM 0 HE2 TYR A 71 6.762 1.283 -12.466 1.00 0.86 H new ATOM 0 HH TYR A 71 4.261 0.860 -12.473 1.00 1.17 H new ATOM 1098 N MET A 72 8.657 -3.527 -8.137 1.00 0.24 N ATOM 1099 CA MET A 72 8.204 -4.650 -7.326 1.00 0.28 C ATOM 1100 C MET A 72 9.408 -5.403 -6.775 1.00 0.31 C ATOM 1101 O MET A 72 9.296 -6.177 -5.829 1.00 0.44 O ATOM 1102 CB MET A 72 7.316 -5.596 -8.134 1.00 0.36 C ATOM 1103 CG MET A 72 5.875 -5.126 -8.235 1.00 0.39 C ATOM 1104 SD MET A 72 4.801 -6.328 -9.047 1.00 0.51 S ATOM 1105 CE MET A 72 3.187 -5.614 -8.731 1.00 0.70 C ATOM 0 H MET A 72 8.543 -3.654 -9.143 1.00 0.24 H new ATOM 0 HA MET A 72 7.610 -4.259 -6.500 1.00 0.28 H new ATOM 0 HB2 MET A 72 7.728 -5.702 -9.138 1.00 0.36 H new ATOM 0 HB3 MET A 72 7.337 -6.584 -7.675 1.00 0.36 H new ATOM 0 HG2 MET A 72 5.493 -4.922 -7.235 1.00 0.39 H new ATOM 0 HG3 MET A 72 5.842 -4.186 -8.786 1.00 0.39 H new ATOM 0 HE1 MET A 72 2.413 -6.334 -8.997 1.00 0.70 H new ATOM 0 HE2 MET A 72 3.101 -5.362 -7.674 1.00 0.70 H new ATOM 0 HE3 MET A 72 3.065 -4.712 -9.330 1.00 0.70 H new ATOM 1115 N ARG A 73 10.564 -5.163 -7.387 1.00 0.25 N ATOM 1116 CA ARG A 73 11.809 -5.793 -6.969 1.00 0.30 C ATOM 1117 C ARG A 73 12.515 -4.926 -5.928 1.00 0.27 C ATOM 1118 O ARG A 73 12.916 -5.409 -4.869 1.00 0.34 O ATOM 1119 CB ARG A 73 12.750 -5.998 -8.165 1.00 0.37 C ATOM 1120 CG ARG A 73 12.419 -7.207 -9.028 1.00 0.45 C ATOM 1121 CD ARG A 73 13.285 -7.252 -10.277 1.00 0.50 C ATOM 1122 NE ARG A 73 12.733 -6.438 -11.354 1.00 0.80 N ATOM 1123 CZ ARG A 73 13.414 -6.065 -12.439 1.00 0.81 C ATOM 1124 NH1 ARG A 73 14.680 -6.432 -12.591 1.00 1.19 N ATOM 1125 NH2 ARG A 73 12.816 -5.341 -13.378 1.00 1.29 N ATOM 0 H ARG A 73 10.663 -4.531 -8.181 1.00 0.25 H new ATOM 0 HA ARG A 73 11.562 -6.764 -6.538 1.00 0.30 H new ATOM 0 HB2 ARG A 73 12.725 -5.104 -8.789 1.00 0.37 H new ATOM 0 HB3 ARG A 73 13.770 -6.100 -7.795 1.00 0.37 H new ATOM 0 HG2 ARG A 73 12.565 -8.119 -8.450 1.00 0.45 H new ATOM 0 HG3 ARG A 73 11.368 -7.175 -9.314 1.00 0.45 H new ATOM 0 HD2 ARG A 73 14.288 -6.901 -10.035 1.00 0.50 H new ATOM 0 HD3 ARG A 73 13.381 -8.284 -10.615 1.00 0.50 H new ATOM 0 HE ARG A 73 11.763 -6.134 -11.272 1.00 0.80 H new ATOM 0 HH11 ARG A 73 15.135 -7.001 -11.877 1.00 1.19 H new ATOM 0 HH12 ARG A 73 15.198 -6.145 -13.422 1.00 1.19 H new ATOM 0 HH21 ARG A 73 11.838 -5.071 -13.269 1.00 1.29 H new ATOM 0 HH22 ARG A 73 13.334 -5.055 -14.208 1.00 1.29 H new ATOM 1139 N THR A 74 12.657 -3.642 -6.240 1.00 0.23 N ATOM 1140 CA THR A 74 13.323 -2.695 -5.358 1.00 0.23 C ATOM 1141 C THR A 74 12.439 -2.287 -4.176 1.00 0.20 C ATOM 1142 O THR A 74 12.913 -1.658 -3.228 1.00 0.24 O ATOM 1143 CB THR A 74 13.727 -1.437 -6.143 1.00 0.26 C ATOM 1144 OG1 THR A 74 13.053 -1.431 -7.411 1.00 0.64 O ATOM 1145 CG2 THR A 74 15.232 -1.391 -6.353 1.00 0.72 C ATOM 0 H THR A 74 12.314 -3.231 -7.109 1.00 0.23 H new ATOM 0 HA THR A 74 14.208 -3.193 -4.962 1.00 0.23 H new ATOM 0 HB THR A 74 13.438 -0.556 -5.570 1.00 0.26 H new ATOM 0 HG1 THR A 74 13.308 -0.629 -7.913 1.00 0.64 H new ATOM 0 HG21 THR A 74 15.494 -0.492 -6.911 1.00 0.72 H new ATOM 0 HG22 THR A 74 15.734 -1.377 -5.386 1.00 0.72 H new ATOM 0 HG23 THR A 74 15.548 -2.271 -6.913 1.00 0.72 H new ATOM 1153 N GLY A 75 11.156 -2.633 -4.247 1.00 0.17 N ATOM 1154 CA GLY A 75 10.227 -2.293 -3.184 1.00 0.16 C ATOM 1155 C GLY A 75 10.551 -2.973 -1.868 1.00 0.14 C ATOM 1156 O GLY A 75 10.807 -4.183 -1.826 1.00 0.19 O ATOM 0 H GLY A 75 10.742 -3.145 -5.026 1.00 0.17 H new ATOM 0 HA2 GLY A 75 10.231 -1.213 -3.038 1.00 0.16 H new ATOM 0 HA3 GLY A 75 9.218 -2.569 -3.490 1.00 0.16 H new ATOM 1160 N GLU A 76 10.550 -2.196 -0.795 1.00 0.16 N ATOM 1161 CA GLU A 76 10.836 -2.719 0.531 1.00 0.20 C ATOM 1162 C GLU A 76 9.543 -3.000 1.294 1.00 0.23 C ATOM 1163 O GLU A 76 9.449 -3.978 2.037 1.00 0.34 O ATOM 1164 CB GLU A 76 11.713 -1.735 1.305 1.00 0.26 C ATOM 1165 CG GLU A 76 12.961 -1.319 0.543 1.00 0.30 C ATOM 1166 CD GLU A 76 13.965 -0.609 1.418 1.00 0.34 C ATOM 1167 OE1 GLU A 76 13.665 0.509 1.889 1.00 0.43 O ATOM 1168 OE2 GLU A 76 15.061 -1.168 1.644 1.00 0.54 O ATOM 0 H GLU A 76 10.353 -1.195 -0.818 1.00 0.16 H new ATOM 0 HA GLU A 76 11.375 -3.660 0.423 1.00 0.20 H new ATOM 0 HB2 GLU A 76 11.128 -0.847 1.544 1.00 0.26 H new ATOM 0 HB3 GLU A 76 12.007 -2.187 2.252 1.00 0.26 H new ATOM 0 HG2 GLU A 76 13.426 -2.202 0.105 1.00 0.30 H new ATOM 0 HG3 GLU A 76 12.678 -0.666 -0.282 1.00 0.30 H new ATOM 1175 N GLY A 77 8.544 -2.154 1.094 1.00 0.21 N ATOM 1176 CA GLY A 77 7.271 -2.331 1.762 1.00 0.23 C ATOM 1177 C GLY A 77 6.125 -2.184 0.791 1.00 0.17 C ATOM 1178 O GLY A 77 6.067 -1.208 0.042 1.00 0.26 O ATOM 0 H GLY A 77 8.593 -1.343 0.477 1.00 0.21 H new ATOM 0 HA2 GLY A 77 7.234 -3.316 2.227 1.00 0.23 H new ATOM 0 HA3 GLY A 77 7.171 -1.597 2.562 1.00 0.23 H new ATOM 1182 N PHE A 78 5.225 -3.155 0.784 1.00 0.11 N ATOM 1183 CA PHE A 78 4.086 -3.126 -0.123 1.00 0.17 C ATOM 1184 C PHE A 78 2.783 -3.006 0.648 1.00 0.17 C ATOM 1185 O PHE A 78 2.422 -3.885 1.436 1.00 0.20 O ATOM 1186 CB PHE A 78 4.062 -4.379 -1.001 1.00 0.24 C ATOM 1187 CG PHE A 78 5.229 -4.478 -1.936 1.00 0.28 C ATOM 1188 CD1 PHE A 78 6.426 -5.026 -1.512 1.00 0.29 C ATOM 1189 CD2 PHE A 78 5.131 -4.012 -3.237 1.00 0.43 C ATOM 1190 CE1 PHE A 78 7.506 -5.109 -2.368 1.00 0.35 C ATOM 1191 CE2 PHE A 78 6.205 -4.094 -4.097 1.00 0.48 C ATOM 1192 CZ PHE A 78 7.396 -4.643 -3.663 1.00 0.40 C ATOM 0 H PHE A 78 5.260 -3.972 1.394 1.00 0.11 H new ATOM 0 HA PHE A 78 4.191 -2.251 -0.764 1.00 0.17 H new ATOM 0 HB2 PHE A 78 4.044 -5.261 -0.361 1.00 0.24 H new ATOM 0 HB3 PHE A 78 3.140 -4.388 -1.582 1.00 0.24 H new ATOM 0 HD1 PHE A 78 6.517 -5.393 -0.500 1.00 0.29 H new ATOM 0 HD2 PHE A 78 4.203 -3.580 -3.581 1.00 0.43 H new ATOM 0 HE1 PHE A 78 8.436 -5.538 -2.025 1.00 0.35 H new ATOM 0 HE2 PHE A 78 6.115 -3.729 -5.110 1.00 0.48 H new ATOM 0 HZ PHE A 78 8.239 -4.708 -4.335 1.00 0.40 H new ATOM 1202 N LEU A 79 2.087 -1.905 0.423 1.00 0.19 N ATOM 1203 CA LEU A 79 0.814 -1.654 1.080 1.00 0.20 C ATOM 1204 C LEU A 79 -0.320 -2.242 0.254 1.00 0.21 C ATOM 1205 O LEU A 79 -0.628 -1.735 -0.824 1.00 0.24 O ATOM 1206 CB LEU A 79 0.602 -0.147 1.261 1.00 0.23 C ATOM 1207 CG LEU A 79 -0.581 0.254 2.148 1.00 0.26 C ATOM 1208 CD1 LEU A 79 -0.375 -0.238 3.575 1.00 0.37 C ATOM 1209 CD2 LEU A 79 -0.771 1.765 2.123 1.00 0.27 C ATOM 0 H LEU A 79 2.384 -1.166 -0.214 1.00 0.19 H new ATOM 0 HA LEU A 79 0.824 -2.129 2.061 1.00 0.20 H new ATOM 0 HB2 LEU A 79 1.511 0.281 1.683 1.00 0.23 H new ATOM 0 HB3 LEU A 79 0.465 0.303 0.278 1.00 0.23 H new ATOM 0 HG LEU A 79 -1.483 -0.215 1.755 1.00 0.26 H new ATOM 0 HD11 LEU A 79 -1.226 0.057 4.188 1.00 0.37 H new ATOM 0 HD12 LEU A 79 -0.287 -1.324 3.576 1.00 0.37 H new ATOM 0 HD13 LEU A 79 0.536 0.201 3.983 1.00 0.37 H new ATOM 0 HD21 LEU A 79 -1.615 2.036 2.757 1.00 0.27 H new ATOM 0 HD22 LEU A 79 0.132 2.251 2.492 1.00 0.27 H new ATOM 0 HD23 LEU A 79 -0.966 2.090 1.101 1.00 0.27 H new ATOM 1221 N CYS A 80 -0.922 -3.313 0.755 1.00 0.21 N ATOM 1222 CA CYS A 80 -2.020 -3.978 0.063 1.00 0.25 C ATOM 1223 C CYS A 80 -3.328 -3.255 0.349 1.00 0.24 C ATOM 1224 O CYS A 80 -3.897 -3.387 1.434 1.00 0.28 O ATOM 1225 CB CYS A 80 -2.120 -5.439 0.512 1.00 0.31 C ATOM 1226 SG CYS A 80 -0.542 -6.168 1.018 1.00 0.61 S ATOM 0 H CYS A 80 -0.667 -3.743 1.644 1.00 0.21 H new ATOM 0 HA CYS A 80 -1.827 -3.953 -1.009 1.00 0.25 H new ATOM 0 HB2 CYS A 80 -2.821 -5.505 1.344 1.00 0.31 H new ATOM 0 HB3 CYS A 80 -2.536 -6.031 -0.303 1.00 0.31 H new ATOM 0 HG CYS A 80 -0.731 -7.402 1.381 1.00 0.61 H new ATOM 1232 N VAL A 81 -3.800 -2.484 -0.617 1.00 0.29 N ATOM 1233 CA VAL A 81 -5.030 -1.727 -0.442 1.00 0.33 C ATOM 1234 C VAL A 81 -6.185 -2.318 -1.241 1.00 0.30 C ATOM 1235 O VAL A 81 -6.059 -2.581 -2.438 1.00 0.36 O ATOM 1236 CB VAL A 81 -4.850 -0.257 -0.861 1.00 0.44 C ATOM 1237 CG1 VAL A 81 -6.049 0.573 -0.431 1.00 0.59 C ATOM 1238 CG2 VAL A 81 -3.570 0.315 -0.281 1.00 0.42 C ATOM 0 H VAL A 81 -3.353 -2.366 -1.526 1.00 0.29 H new ATOM 0 HA VAL A 81 -5.267 -1.781 0.621 1.00 0.33 H new ATOM 0 HB VAL A 81 -4.778 -0.220 -1.948 1.00 0.44 H new ATOM 0 HG11 VAL A 81 -5.903 1.609 -0.736 1.00 0.59 H new ATOM 0 HG12 VAL A 81 -6.951 0.180 -0.901 1.00 0.59 H new ATOM 0 HG13 VAL A 81 -6.154 0.526 0.653 1.00 0.59 H new ATOM 0 HG21 VAL A 81 -3.463 1.355 -0.590 1.00 0.42 H new ATOM 0 HG22 VAL A 81 -3.608 0.262 0.807 1.00 0.42 H new ATOM 0 HG23 VAL A 81 -2.718 -0.260 -0.643 1.00 0.42 H new ATOM 1248 N PHE A 82 -7.306 -2.524 -0.563 1.00 0.26 N ATOM 1249 CA PHE A 82 -8.504 -3.049 -1.193 1.00 0.26 C ATOM 1250 C PHE A 82 -9.721 -2.271 -0.709 1.00 0.25 C ATOM 1251 O PHE A 82 -9.655 -1.587 0.311 1.00 0.25 O ATOM 1252 CB PHE A 82 -8.677 -4.550 -0.901 1.00 0.28 C ATOM 1253 CG PHE A 82 -9.163 -4.871 0.491 1.00 0.27 C ATOM 1254 CD1 PHE A 82 -8.266 -5.044 1.528 1.00 0.31 C ATOM 1255 CD2 PHE A 82 -10.520 -5.007 0.758 1.00 0.30 C ATOM 1256 CE1 PHE A 82 -8.706 -5.342 2.805 1.00 0.34 C ATOM 1257 CE2 PHE A 82 -10.964 -5.304 2.031 1.00 0.30 C ATOM 1258 CZ PHE A 82 -10.057 -5.471 3.056 1.00 0.30 C ATOM 0 H PHE A 82 -7.408 -2.332 0.434 1.00 0.26 H new ATOM 0 HA PHE A 82 -8.405 -2.931 -2.272 1.00 0.26 H new ATOM 0 HB2 PHE A 82 -9.380 -4.967 -1.622 1.00 0.28 H new ATOM 0 HB3 PHE A 82 -7.722 -5.050 -1.062 1.00 0.28 H new ATOM 0 HD1 PHE A 82 -7.207 -4.945 1.339 1.00 0.31 H new ATOM 0 HD2 PHE A 82 -11.236 -4.879 -0.040 1.00 0.30 H new ATOM 0 HE1 PHE A 82 -7.993 -5.474 3.605 1.00 0.34 H new ATOM 0 HE2 PHE A 82 -12.022 -5.406 2.224 1.00 0.30 H new ATOM 0 HZ PHE A 82 -10.403 -5.702 4.053 1.00 0.30 H new ATOM 1268 N ALA A 83 -10.822 -2.371 -1.436 1.00 0.28 N ATOM 1269 CA ALA A 83 -12.042 -1.672 -1.070 1.00 0.27 C ATOM 1270 C ALA A 83 -13.016 -2.626 -0.390 1.00 0.28 C ATOM 1271 O ALA A 83 -13.329 -3.686 -0.927 1.00 0.31 O ATOM 1272 CB ALA A 83 -12.680 -1.035 -2.296 1.00 0.32 C ATOM 0 H ALA A 83 -10.895 -2.931 -2.285 1.00 0.28 H new ATOM 0 HA ALA A 83 -11.790 -0.879 -0.366 1.00 0.27 H new ATOM 0 HB1 ALA A 83 -13.593 -0.516 -2.003 1.00 0.32 H new ATOM 0 HB2 ALA A 83 -11.984 -0.323 -2.740 1.00 0.32 H new ATOM 0 HB3 ALA A 83 -12.921 -1.809 -3.024 1.00 0.32 H new ATOM 1278 N ILE A 84 -13.489 -2.254 0.797 1.00 0.28 N ATOM 1279 CA ILE A 84 -14.428 -3.092 1.544 1.00 0.31 C ATOM 1280 C ILE A 84 -15.807 -3.106 0.886 1.00 0.31 C ATOM 1281 O ILE A 84 -16.664 -3.926 1.226 1.00 0.33 O ATOM 1282 CB ILE A 84 -14.574 -2.631 3.010 1.00 0.37 C ATOM 1283 CG1 ILE A 84 -14.977 -1.161 3.074 1.00 0.54 C ATOM 1284 CG2 ILE A 84 -13.279 -2.859 3.768 1.00 0.53 C ATOM 1285 CD1 ILE A 84 -16.203 -0.910 3.919 1.00 0.78 C ATOM 0 H ILE A 84 -13.240 -1.381 1.262 1.00 0.28 H new ATOM 0 HA ILE A 84 -14.012 -4.100 1.534 1.00 0.31 H new ATOM 0 HB ILE A 84 -15.360 -3.223 3.479 1.00 0.37 H new ATOM 0 HG12 ILE A 84 -14.145 -0.581 3.473 1.00 0.54 H new ATOM 0 HG13 ILE A 84 -15.162 -0.798 2.063 1.00 0.54 H new ATOM 0 HG21 ILE A 84 -13.398 -2.529 4.800 1.00 0.53 H new ATOM 0 HG22 ILE A 84 -13.031 -3.920 3.753 1.00 0.53 H new ATOM 0 HG23 ILE A 84 -12.477 -2.292 3.296 1.00 0.53 H new ATOM 0 HD11 ILE A 84 -16.432 0.156 3.920 1.00 0.78 H new ATOM 0 HD12 ILE A 84 -17.048 -1.462 3.508 1.00 0.78 H new ATOM 0 HD13 ILE A 84 -16.015 -1.242 4.940 1.00 0.78 H new ATOM 1297 N ASN A 85 -16.004 -2.201 -0.059 1.00 0.33 N ATOM 1298 CA ASN A 85 -17.267 -2.084 -0.771 1.00 0.38 C ATOM 1299 C ASN A 85 -17.222 -2.861 -2.082 1.00 0.36 C ATOM 1300 O ASN A 85 -18.157 -2.799 -2.881 1.00 0.48 O ATOM 1301 CB ASN A 85 -17.596 -0.610 -1.044 1.00 0.51 C ATOM 1302 CG ASN A 85 -16.553 0.077 -1.910 1.00 0.62 C ATOM 1303 OD1 ASN A 85 -15.448 0.367 -1.452 1.00 0.68 O ATOM 1304 ND2 ASN A 85 -16.901 0.346 -3.161 1.00 0.82 N ATOM 0 H ASN A 85 -15.296 -1.529 -0.354 1.00 0.33 H new ATOM 0 HA ASN A 85 -18.050 -2.508 -0.143 1.00 0.38 H new ATOM 0 HB2 ASN A 85 -18.568 -0.544 -1.533 1.00 0.51 H new ATOM 0 HB3 ASN A 85 -17.680 -0.080 -0.095 1.00 0.51 H new ATOM 0 HD21 ASN A 85 -16.242 0.811 -3.785 1.00 0.82 H new ATOM 0 HD22 ASN A 85 -17.828 0.088 -3.499 1.00 0.82 H new ATOM 1311 N ASN A 86 -16.133 -3.590 -2.299 1.00 0.34 N ATOM 1312 CA ASN A 86 -15.969 -4.380 -3.514 1.00 0.39 C ATOM 1313 C ASN A 86 -15.144 -5.633 -3.231 1.00 0.33 C ATOM 1314 O ASN A 86 -13.943 -5.557 -2.963 1.00 0.33 O ATOM 1315 CB ASN A 86 -15.304 -3.544 -4.611 1.00 0.53 C ATOM 1316 CG ASN A 86 -15.071 -4.328 -5.889 1.00 0.64 C ATOM 1317 OD1 ASN A 86 -15.762 -5.305 -6.170 1.00 1.07 O ATOM 1318 ND2 ASN A 86 -14.089 -3.907 -6.674 1.00 0.98 N ATOM 0 H ASN A 86 -15.350 -3.650 -1.649 1.00 0.34 H new ATOM 0 HA ASN A 86 -16.956 -4.686 -3.860 1.00 0.39 H new ATOM 0 HB2 ASN A 86 -15.929 -2.678 -4.830 1.00 0.53 H new ATOM 0 HB3 ASN A 86 -14.350 -3.164 -4.244 1.00 0.53 H new ATOM 0 HD21 ASN A 86 -13.886 -4.398 -7.545 1.00 0.98 H new ATOM 0 HD22 ASN A 86 -13.537 -3.092 -6.407 1.00 0.98 H new ATOM 1325 N THR A 87 -15.791 -6.787 -3.309 1.00 0.33 N ATOM 1326 CA THR A 87 -15.133 -8.058 -3.049 1.00 0.32 C ATOM 1327 C THR A 87 -14.085 -8.387 -4.113 1.00 0.30 C ATOM 1328 O THR A 87 -13.108 -9.088 -3.837 1.00 0.30 O ATOM 1329 CB THR A 87 -16.159 -9.198 -2.974 1.00 0.38 C ATOM 1330 OG1 THR A 87 -17.432 -8.671 -2.570 1.00 0.65 O ATOM 1331 CG2 THR A 87 -15.710 -10.260 -1.982 1.00 0.57 C ATOM 0 H THR A 87 -16.778 -6.868 -3.552 1.00 0.33 H new ATOM 0 HA THR A 87 -14.627 -7.961 -2.089 1.00 0.32 H new ATOM 0 HB THR A 87 -16.244 -9.656 -3.959 1.00 0.38 H new ATOM 0 HG1 THR A 87 -18.087 -9.398 -2.524 1.00 0.65 H new ATOM 0 HG21 THR A 87 -16.451 -11.059 -1.944 1.00 0.57 H new ATOM 0 HG22 THR A 87 -14.750 -10.670 -2.297 1.00 0.57 H new ATOM 0 HG23 THR A 87 -15.607 -9.814 -0.993 1.00 0.57 H new ATOM 1339 N LYS A 88 -14.275 -7.864 -5.320 1.00 0.33 N ATOM 1340 CA LYS A 88 -13.344 -8.112 -6.416 1.00 0.35 C ATOM 1341 C LYS A 88 -11.936 -7.647 -6.043 1.00 0.30 C ATOM 1342 O LYS A 88 -10.946 -8.293 -6.388 1.00 0.36 O ATOM 1343 CB LYS A 88 -13.820 -7.402 -7.687 1.00 0.42 C ATOM 1344 CG LYS A 88 -13.076 -7.818 -8.952 1.00 0.49 C ATOM 1345 CD LYS A 88 -13.390 -9.258 -9.345 1.00 0.71 C ATOM 1346 CE LYS A 88 -13.072 -9.525 -10.807 1.00 0.89 C ATOM 1347 NZ LYS A 88 -14.269 -9.363 -11.674 1.00 0.82 N ATOM 0 H LYS A 88 -15.065 -7.266 -5.564 1.00 0.33 H new ATOM 0 HA LYS A 88 -13.312 -9.185 -6.605 1.00 0.35 H new ATOM 0 HB2 LYS A 88 -14.883 -7.599 -7.823 1.00 0.42 H new ATOM 0 HB3 LYS A 88 -13.710 -6.326 -7.552 1.00 0.42 H new ATOM 0 HG2 LYS A 88 -13.348 -7.150 -9.770 1.00 0.49 H new ATOM 0 HG3 LYS A 88 -12.003 -7.710 -8.795 1.00 0.49 H new ATOM 0 HD2 LYS A 88 -12.816 -9.940 -8.718 1.00 0.71 H new ATOM 0 HD3 LYS A 88 -14.444 -9.464 -9.158 1.00 0.71 H new ATOM 0 HE2 LYS A 88 -12.289 -8.843 -11.138 1.00 0.89 H new ATOM 0 HE3 LYS A 88 -12.680 -10.537 -10.914 1.00 0.89 H new ATOM 0 HZ1 LYS A 88 -14.010 -9.554 -12.663 1.00 0.82 H new ATOM 0 HZ2 LYS A 88 -15.008 -10.031 -11.375 1.00 0.82 H new ATOM 0 HZ3 LYS A 88 -14.628 -8.390 -11.592 1.00 0.82 H new ATOM 1361 N SER A 89 -11.853 -6.528 -5.332 1.00 0.27 N ATOM 1362 CA SER A 89 -10.569 -5.994 -4.902 1.00 0.27 C ATOM 1363 C SER A 89 -9.916 -6.915 -3.869 1.00 0.25 C ATOM 1364 O SER A 89 -8.704 -7.115 -3.882 1.00 0.32 O ATOM 1365 CB SER A 89 -10.752 -4.591 -4.322 1.00 0.33 C ATOM 1366 OG SER A 89 -12.118 -4.210 -4.345 1.00 0.64 O ATOM 0 H SER A 89 -12.659 -5.975 -5.042 1.00 0.27 H new ATOM 0 HA SER A 89 -9.912 -5.935 -5.770 1.00 0.27 H new ATOM 0 HB2 SER A 89 -10.380 -4.565 -3.298 1.00 0.33 H new ATOM 0 HB3 SER A 89 -10.161 -3.876 -4.894 1.00 0.33 H new ATOM 0 HG SER A 89 -12.573 -4.576 -3.558 1.00 0.64 H new ATOM 1372 N PHE A 90 -10.731 -7.482 -2.986 1.00 0.24 N ATOM 1373 CA PHE A 90 -10.235 -8.384 -1.953 1.00 0.25 C ATOM 1374 C PHE A 90 -9.697 -9.661 -2.588 1.00 0.27 C ATOM 1375 O PHE A 90 -8.666 -10.191 -2.177 1.00 0.28 O ATOM 1376 CB PHE A 90 -11.349 -8.713 -0.952 1.00 0.29 C ATOM 1377 CG PHE A 90 -10.928 -9.668 0.128 1.00 0.29 C ATOM 1378 CD1 PHE A 90 -9.961 -9.305 1.053 1.00 0.26 C ATOM 1379 CD2 PHE A 90 -11.491 -10.932 0.215 1.00 0.38 C ATOM 1380 CE1 PHE A 90 -9.567 -10.184 2.043 1.00 0.31 C ATOM 1381 CE2 PHE A 90 -11.100 -11.813 1.204 1.00 0.42 C ATOM 1382 CZ PHE A 90 -10.138 -11.439 2.117 1.00 0.39 C ATOM 0 H PHE A 90 -11.740 -7.332 -2.965 1.00 0.24 H new ATOM 0 HA PHE A 90 -9.424 -7.891 -1.417 1.00 0.25 H new ATOM 0 HB2 PHE A 90 -11.696 -7.788 -0.492 1.00 0.29 H new ATOM 0 HB3 PHE A 90 -12.196 -9.138 -1.491 1.00 0.29 H new ATOM 0 HD1 PHE A 90 -9.511 -8.325 0.999 1.00 0.26 H new ATOM 0 HD2 PHE A 90 -12.244 -11.231 -0.499 1.00 0.38 H new ATOM 0 HE1 PHE A 90 -8.813 -9.890 2.758 1.00 0.31 H new ATOM 0 HE2 PHE A 90 -11.548 -12.794 1.262 1.00 0.42 H new ATOM 0 HZ PHE A 90 -9.831 -12.127 2.890 1.00 0.39 H new ATOM 1392 N GLU A 91 -10.398 -10.141 -3.603 1.00 0.32 N ATOM 1393 CA GLU A 91 -9.986 -11.340 -4.310 1.00 0.40 C ATOM 1394 C GLU A 91 -8.682 -11.100 -5.059 1.00 0.39 C ATOM 1395 O GLU A 91 -7.841 -11.993 -5.161 1.00 0.49 O ATOM 1396 CB GLU A 91 -11.074 -11.777 -5.283 1.00 0.51 C ATOM 1397 CG GLU A 91 -12.325 -12.295 -4.594 1.00 0.59 C ATOM 1398 CD GLU A 91 -12.114 -13.640 -3.932 1.00 0.75 C ATOM 1399 OE1 GLU A 91 -11.369 -13.715 -2.934 1.00 1.44 O ATOM 1400 OE2 GLU A 91 -12.696 -14.637 -4.414 1.00 1.09 O ATOM 0 H GLU A 91 -11.256 -9.717 -3.955 1.00 0.32 H new ATOM 0 HA GLU A 91 -9.825 -12.132 -3.579 1.00 0.40 H new ATOM 0 HB2 GLU A 91 -11.341 -10.934 -5.920 1.00 0.51 H new ATOM 0 HB3 GLU A 91 -10.678 -12.556 -5.934 1.00 0.51 H new ATOM 0 HG2 GLU A 91 -12.647 -11.572 -3.844 1.00 0.59 H new ATOM 0 HG3 GLU A 91 -13.130 -12.377 -5.325 1.00 0.59 H new ATOM 1407 N ASP A 92 -8.521 -9.885 -5.568 1.00 0.35 N ATOM 1408 CA ASP A 92 -7.323 -9.505 -6.314 1.00 0.37 C ATOM 1409 C ASP A 92 -6.083 -9.568 -5.424 1.00 0.31 C ATOM 1410 O ASP A 92 -4.991 -9.908 -5.880 1.00 0.31 O ATOM 1411 CB ASP A 92 -7.493 -8.096 -6.888 1.00 0.43 C ATOM 1412 CG ASP A 92 -6.775 -7.910 -8.210 1.00 0.53 C ATOM 1413 OD1 ASP A 92 -5.807 -8.648 -8.477 1.00 1.02 O ATOM 1414 OD2 ASP A 92 -7.190 -7.030 -8.996 1.00 0.99 O ATOM 0 H ASP A 92 -9.210 -9.139 -5.478 1.00 0.35 H new ATOM 0 HA ASP A 92 -7.187 -10.211 -7.133 1.00 0.37 H new ATOM 0 HB2 ASP A 92 -8.555 -7.890 -7.024 1.00 0.43 H new ATOM 0 HB3 ASP A 92 -7.116 -7.368 -6.170 1.00 0.43 H new ATOM 1419 N ILE A 93 -6.272 -9.269 -4.142 1.00 0.28 N ATOM 1420 CA ILE A 93 -5.180 -9.285 -3.171 1.00 0.25 C ATOM 1421 C ILE A 93 -4.514 -10.662 -3.116 1.00 0.24 C ATOM 1422 O ILE A 93 -3.309 -10.775 -2.881 1.00 0.25 O ATOM 1423 CB ILE A 93 -5.690 -8.902 -1.762 1.00 0.29 C ATOM 1424 CG1 ILE A 93 -6.329 -7.508 -1.781 1.00 0.32 C ATOM 1425 CG2 ILE A 93 -4.564 -8.955 -0.739 1.00 0.35 C ATOM 1426 CD1 ILE A 93 -5.415 -6.420 -2.310 1.00 0.42 C ATOM 0 H ILE A 93 -7.177 -9.011 -3.749 1.00 0.28 H new ATOM 0 HA ILE A 93 -4.444 -8.550 -3.495 1.00 0.25 H new ATOM 0 HB ILE A 93 -6.448 -9.629 -1.470 1.00 0.29 H new ATOM 0 HG12 ILE A 93 -7.231 -7.541 -2.393 1.00 0.32 H new ATOM 0 HG13 ILE A 93 -6.640 -7.248 -0.769 1.00 0.32 H new ATOM 0 HG21 ILE A 93 -4.951 -8.681 0.243 1.00 0.35 H new ATOM 0 HG22 ILE A 93 -4.156 -9.965 -0.699 1.00 0.35 H new ATOM 0 HG23 ILE A 93 -3.778 -8.257 -1.027 1.00 0.35 H new ATOM 0 HD11 ILE A 93 -5.939 -5.464 -2.292 1.00 0.42 H new ATOM 0 HD12 ILE A 93 -4.524 -6.358 -1.685 1.00 0.42 H new ATOM 0 HD13 ILE A 93 -5.124 -6.655 -3.334 1.00 0.42 H new ATOM 1438 N HIS A 94 -5.302 -11.703 -3.358 1.00 0.26 N ATOM 1439 CA HIS A 94 -4.794 -13.071 -3.333 1.00 0.30 C ATOM 1440 C HIS A 94 -3.735 -13.264 -4.416 1.00 0.30 C ATOM 1441 O HIS A 94 -2.750 -13.972 -4.222 1.00 0.38 O ATOM 1442 CB HIS A 94 -5.930 -14.082 -3.538 1.00 0.35 C ATOM 1443 CG HIS A 94 -6.912 -14.158 -2.404 1.00 0.46 C ATOM 1444 ND1 HIS A 94 -7.036 -15.260 -1.585 1.00 0.73 N ATOM 1445 CD2 HIS A 94 -7.845 -13.272 -1.971 1.00 0.70 C ATOM 1446 CE1 HIS A 94 -7.996 -15.051 -0.703 1.00 0.83 C ATOM 1447 NE2 HIS A 94 -8.502 -13.855 -0.918 1.00 0.79 N ATOM 0 H HIS A 94 -6.296 -11.627 -3.574 1.00 0.26 H new ATOM 0 HA HIS A 94 -4.345 -13.244 -2.355 1.00 0.30 H new ATOM 0 HB2 HIS A 94 -6.468 -13.824 -4.450 1.00 0.35 H new ATOM 0 HB3 HIS A 94 -5.496 -15.070 -3.692 1.00 0.35 H new ATOM 0 HD2 HIS A 94 -8.035 -12.291 -2.380 1.00 0.70 H new ATOM 0 HE1 HIS A 94 -8.312 -15.743 0.064 1.00 0.83 H new ATOM 0 HE2 HIS A 94 -9.262 -13.430 -0.386 1.00 0.79 H new ATOM 1456 N HIS A 95 -3.941 -12.609 -5.553 1.00 0.27 N ATOM 1457 CA HIS A 95 -3.012 -12.707 -6.670 1.00 0.30 C ATOM 1458 C HIS A 95 -1.842 -11.757 -6.462 1.00 0.26 C ATOM 1459 O HIS A 95 -0.705 -12.095 -6.772 1.00 0.26 O ATOM 1460 CB HIS A 95 -3.734 -12.398 -7.988 1.00 0.37 C ATOM 1461 CG HIS A 95 -2.857 -12.428 -9.205 1.00 0.50 C ATOM 1462 ND1 HIS A 95 -1.868 -13.371 -9.412 1.00 0.72 N ATOM 1463 CD2 HIS A 95 -2.840 -11.629 -10.298 1.00 0.65 C ATOM 1464 CE1 HIS A 95 -1.281 -13.140 -10.574 1.00 0.79 C ATOM 1465 NE2 HIS A 95 -1.857 -12.095 -11.128 1.00 0.72 N ATOM 0 H HIS A 95 -4.744 -12.004 -5.725 1.00 0.27 H new ATOM 0 HA HIS A 95 -2.625 -13.725 -6.721 1.00 0.30 H new ATOM 0 HB2 HIS A 95 -4.542 -13.117 -8.121 1.00 0.37 H new ATOM 0 HB3 HIS A 95 -4.194 -11.413 -7.912 1.00 0.37 H new ATOM 0 HD1 HIS A 95 -1.629 -14.126 -8.770 1.00 0.72 H new ATOM 0 HD2 HIS A 95 -3.483 -10.781 -10.481 1.00 0.65 H new ATOM 0 HE1 HIS A 95 -0.468 -13.712 -10.996 1.00 0.79 H new ATOM 1474 N TYR A 96 -2.132 -10.573 -5.928 1.00 0.29 N ATOM 1475 CA TYR A 96 -1.100 -9.569 -5.674 1.00 0.29 C ATOM 1476 C TYR A 96 -0.025 -10.108 -4.736 1.00 0.24 C ATOM 1477 O TYR A 96 1.170 -9.989 -5.012 1.00 0.24 O ATOM 1478 CB TYR A 96 -1.714 -8.306 -5.073 1.00 0.38 C ATOM 1479 CG TYR A 96 -2.220 -7.318 -6.100 1.00 0.47 C ATOM 1480 CD1 TYR A 96 -1.348 -6.702 -6.985 1.00 1.04 C ATOM 1481 CD2 TYR A 96 -3.566 -6.996 -6.178 1.00 0.76 C ATOM 1482 CE1 TYR A 96 -1.803 -5.793 -7.920 1.00 1.17 C ATOM 1483 CE2 TYR A 96 -4.032 -6.088 -7.111 1.00 0.81 C ATOM 1484 CZ TYR A 96 -3.144 -5.492 -7.978 1.00 0.75 C ATOM 1485 OH TYR A 96 -3.598 -4.582 -8.907 1.00 0.91 O ATOM 0 H TYR A 96 -3.074 -10.284 -5.662 1.00 0.29 H new ATOM 0 HA TYR A 96 -0.638 -9.325 -6.631 1.00 0.29 H new ATOM 0 HB2 TYR A 96 -2.540 -8.591 -4.421 1.00 0.38 H new ATOM 0 HB3 TYR A 96 -0.969 -7.814 -4.448 1.00 0.38 H new ATOM 0 HD1 TYR A 96 -0.295 -6.937 -6.942 1.00 1.04 H new ATOM 0 HD2 TYR A 96 -4.263 -7.463 -5.498 1.00 0.76 H new ATOM 0 HE1 TYR A 96 -1.110 -5.321 -8.601 1.00 1.17 H new ATOM 0 HE2 TYR A 96 -5.084 -5.848 -7.159 1.00 0.81 H new ATOM 0 HH TYR A 96 -3.693 -3.703 -8.484 1.00 0.91 H new ATOM 1495 N ARG A 97 -0.463 -10.704 -3.629 1.00 0.25 N ATOM 1496 CA ARG A 97 0.451 -11.274 -2.637 1.00 0.25 C ATOM 1497 C ARG A 97 1.380 -12.303 -3.279 1.00 0.22 C ATOM 1498 O ARG A 97 2.599 -12.223 -3.140 1.00 0.29 O ATOM 1499 CB ARG A 97 -0.347 -11.925 -1.496 1.00 0.32 C ATOM 1500 CG ARG A 97 0.497 -12.739 -0.521 1.00 0.36 C ATOM 1501 CD ARG A 97 1.322 -11.854 0.404 1.00 0.39 C ATOM 1502 NE ARG A 97 1.948 -12.629 1.473 1.00 0.45 N ATOM 1503 CZ ARG A 97 2.805 -12.133 2.364 1.00 0.48 C ATOM 1504 NH1 ARG A 97 3.153 -10.851 2.327 1.00 0.48 N ATOM 1505 NH2 ARG A 97 3.311 -12.924 3.300 1.00 0.60 N ATOM 0 H ARG A 97 -1.450 -10.806 -3.394 1.00 0.25 H new ATOM 0 HA ARG A 97 1.061 -10.467 -2.232 1.00 0.25 H new ATOM 0 HB2 ARG A 97 -0.868 -11.144 -0.942 1.00 0.32 H new ATOM 0 HB3 ARG A 97 -1.110 -12.574 -1.927 1.00 0.32 H new ATOM 0 HG2 ARG A 97 -0.155 -13.377 0.076 1.00 0.36 H new ATOM 0 HG3 ARG A 97 1.162 -13.397 -1.080 1.00 0.36 H new ATOM 0 HD2 ARG A 97 2.092 -11.341 -0.173 1.00 0.39 H new ATOM 0 HD3 ARG A 97 0.683 -11.085 0.838 1.00 0.39 H new ATOM 0 HE ARG A 97 1.712 -13.619 1.542 1.00 0.45 H new ATOM 0 HH11 ARG A 97 2.763 -10.237 1.612 1.00 0.48 H new ATOM 0 HH12 ARG A 97 3.810 -10.481 3.014 1.00 0.48 H new ATOM 0 HH21 ARG A 97 3.044 -13.908 3.336 1.00 0.60 H new ATOM 0 HH22 ARG A 97 3.968 -12.549 3.984 1.00 0.60 H new ATOM 1519 N GLU A 98 0.791 -13.254 -3.993 1.00 0.22 N ATOM 1520 CA GLU A 98 1.550 -14.305 -4.656 1.00 0.24 C ATOM 1521 C GLU A 98 2.479 -13.722 -5.726 1.00 0.23 C ATOM 1522 O GLU A 98 3.625 -14.148 -5.868 1.00 0.26 O ATOM 1523 CB GLU A 98 0.572 -15.324 -5.255 1.00 0.30 C ATOM 1524 CG GLU A 98 0.825 -15.666 -6.713 1.00 0.46 C ATOM 1525 CD GLU A 98 -0.393 -16.257 -7.389 1.00 0.94 C ATOM 1526 OE1 GLU A 98 -1.153 -15.496 -8.033 1.00 1.21 O ATOM 1527 OE2 GLU A 98 -0.598 -17.483 -7.289 1.00 1.35 O ATOM 0 H GLU A 98 -0.218 -13.318 -4.128 1.00 0.22 H new ATOM 0 HA GLU A 98 2.185 -14.809 -3.928 1.00 0.24 H new ATOM 0 HB2 GLU A 98 0.619 -16.241 -4.668 1.00 0.30 H new ATOM 0 HB3 GLU A 98 -0.442 -14.935 -5.158 1.00 0.30 H new ATOM 0 HG2 GLU A 98 1.132 -14.766 -7.246 1.00 0.46 H new ATOM 0 HG3 GLU A 98 1.652 -16.373 -6.779 1.00 0.46 H new ATOM 1534 N GLN A 99 1.979 -12.733 -6.451 1.00 0.23 N ATOM 1535 CA GLN A 99 2.734 -12.083 -7.507 1.00 0.25 C ATOM 1536 C GLN A 99 4.016 -11.461 -6.963 1.00 0.24 C ATOM 1537 O GLN A 99 5.112 -11.771 -7.428 1.00 0.26 O ATOM 1538 CB GLN A 99 1.868 -11.014 -8.163 1.00 0.30 C ATOM 1539 CG GLN A 99 2.462 -10.420 -9.426 1.00 0.33 C ATOM 1540 CD GLN A 99 1.559 -9.372 -10.032 1.00 0.63 C ATOM 1541 OE1 GLN A 99 0.339 -9.428 -9.876 1.00 1.15 O ATOM 1542 NE2 GLN A 99 2.143 -8.413 -10.728 1.00 1.08 N ATOM 0 H GLN A 99 1.038 -12.360 -6.323 1.00 0.23 H new ATOM 0 HA GLN A 99 3.015 -12.832 -8.247 1.00 0.25 H new ATOM 0 HB2 GLN A 99 0.896 -11.446 -8.401 1.00 0.30 H new ATOM 0 HB3 GLN A 99 1.694 -10.212 -7.445 1.00 0.30 H new ATOM 0 HG2 GLN A 99 3.431 -9.977 -9.198 1.00 0.33 H new ATOM 0 HG3 GLN A 99 2.637 -11.213 -10.153 1.00 0.33 H new ATOM 0 HE21 GLN A 99 3.158 -8.404 -10.833 1.00 1.08 H new ATOM 0 HE22 GLN A 99 1.579 -7.681 -11.161 1.00 1.08 H new ATOM 1551 N ILE A 100 3.877 -10.603 -5.957 1.00 0.24 N ATOM 1552 CA ILE A 100 5.031 -9.942 -5.362 1.00 0.26 C ATOM 1553 C ILE A 100 5.982 -10.965 -4.745 1.00 0.24 C ATOM 1554 O ILE A 100 7.205 -10.824 -4.836 1.00 0.24 O ATOM 1555 CB ILE A 100 4.606 -8.906 -4.303 1.00 0.32 C ATOM 1556 CG1 ILE A 100 3.646 -7.880 -4.921 1.00 0.39 C ATOM 1557 CG2 ILE A 100 5.824 -8.209 -3.716 1.00 0.34 C ATOM 1558 CD1 ILE A 100 2.869 -7.076 -3.897 1.00 0.51 C ATOM 0 H ILE A 100 2.981 -10.351 -5.539 1.00 0.24 H new ATOM 0 HA ILE A 100 5.552 -9.414 -6.161 1.00 0.26 H new ATOM 0 HB ILE A 100 4.089 -9.427 -3.497 1.00 0.32 H new ATOM 0 HG12 ILE A 100 4.216 -7.196 -5.550 1.00 0.39 H new ATOM 0 HG13 ILE A 100 2.942 -8.400 -5.571 1.00 0.39 H new ATOM 0 HG21 ILE A 100 5.503 -7.482 -2.971 1.00 0.34 H new ATOM 0 HG22 ILE A 100 6.474 -8.947 -3.246 1.00 0.34 H new ATOM 0 HG23 ILE A 100 6.369 -7.698 -4.510 1.00 0.34 H new ATOM 0 HD11 ILE A 100 2.212 -6.373 -4.409 1.00 0.51 H new ATOM 0 HD12 ILE A 100 2.271 -7.750 -3.283 1.00 0.51 H new ATOM 0 HD13 ILE A 100 3.564 -6.527 -3.262 1.00 0.51 H new ATOM 1570 N LYS A 101 5.419 -12.009 -4.137 1.00 0.25 N ATOM 1571 CA LYS A 101 6.229 -13.060 -3.530 1.00 0.27 C ATOM 1572 C LYS A 101 7.091 -13.734 -4.592 1.00 0.23 C ATOM 1573 O LYS A 101 8.212 -14.158 -4.321 1.00 0.27 O ATOM 1574 CB LYS A 101 5.344 -14.098 -2.834 1.00 0.34 C ATOM 1575 CG LYS A 101 4.835 -13.659 -1.472 1.00 0.78 C ATOM 1576 CD LYS A 101 3.961 -14.728 -0.825 1.00 0.76 C ATOM 1577 CE LYS A 101 4.763 -15.970 -0.456 1.00 0.97 C ATOM 1578 NZ LYS A 101 3.932 -16.995 0.236 1.00 1.05 N ATOM 0 H LYS A 101 4.412 -12.148 -4.053 1.00 0.25 H new ATOM 0 HA LYS A 101 6.876 -12.605 -2.780 1.00 0.27 H new ATOM 0 HB2 LYS A 101 4.491 -14.322 -3.475 1.00 0.34 H new ATOM 0 HB3 LYS A 101 5.908 -15.024 -2.719 1.00 0.34 H new ATOM 0 HG2 LYS A 101 5.681 -13.438 -0.821 1.00 0.78 H new ATOM 0 HG3 LYS A 101 4.264 -12.737 -1.577 1.00 0.78 H new ATOM 0 HD2 LYS A 101 3.491 -14.320 0.070 1.00 0.76 H new ATOM 0 HD3 LYS A 101 3.158 -15.004 -1.509 1.00 0.76 H new ATOM 0 HE2 LYS A 101 5.193 -16.403 -1.359 1.00 0.97 H new ATOM 0 HE3 LYS A 101 5.595 -15.685 0.188 1.00 0.97 H new ATOM 0 HZ1 LYS A 101 4.549 -17.733 0.631 1.00 1.05 H new ATOM 0 HZ2 LYS A 101 3.395 -16.545 1.004 1.00 1.05 H new ATOM 0 HZ3 LYS A 101 3.271 -17.423 -0.444 1.00 1.05 H new ATOM 1592 N ARG A 102 6.561 -13.807 -5.810 1.00 0.22 N ATOM 1593 CA ARG A 102 7.271 -14.413 -6.929 1.00 0.23 C ATOM 1594 C ARG A 102 8.331 -13.460 -7.473 1.00 0.21 C ATOM 1595 O ARG A 102 9.466 -13.864 -7.736 1.00 0.26 O ATOM 1596 CB ARG A 102 6.299 -14.772 -8.055 1.00 0.29 C ATOM 1597 CG ARG A 102 5.415 -15.967 -7.756 1.00 0.35 C ATOM 1598 CD ARG A 102 4.432 -16.216 -8.886 1.00 0.44 C ATOM 1599 NE ARG A 102 3.708 -17.475 -8.713 1.00 0.58 N ATOM 1600 CZ ARG A 102 2.503 -17.720 -9.220 1.00 0.75 C ATOM 1601 NH1 ARG A 102 1.877 -16.795 -9.941 1.00 0.89 N ATOM 1602 NH2 ARG A 102 1.920 -18.897 -8.998 1.00 0.91 N ATOM 0 H ARG A 102 5.635 -13.451 -6.047 1.00 0.22 H new ATOM 0 HA ARG A 102 7.752 -15.320 -6.564 1.00 0.23 H new ATOM 0 HB2 ARG A 102 5.666 -13.909 -8.262 1.00 0.29 H new ATOM 0 HB3 ARG A 102 6.869 -14.974 -8.962 1.00 0.29 H new ATOM 0 HG2 ARG A 102 6.033 -16.852 -7.606 1.00 0.35 H new ATOM 0 HG3 ARG A 102 4.871 -15.797 -6.827 1.00 0.35 H new ATOM 0 HD2 ARG A 102 3.720 -15.392 -8.936 1.00 0.44 H new ATOM 0 HD3 ARG A 102 4.967 -16.233 -9.835 1.00 0.44 H new ATOM 0 HE ARG A 102 4.156 -18.212 -8.169 1.00 0.58 H new ATOM 0 HH11 ARG A 102 2.321 -15.892 -10.108 1.00 0.89 H new ATOM 0 HH12 ARG A 102 0.953 -16.988 -10.327 1.00 0.89 H new ATOM 0 HH21 ARG A 102 2.398 -19.606 -8.441 1.00 0.91 H new ATOM 0 HH22 ARG A 102 0.996 -19.089 -9.385 1.00 0.91 H new ATOM 1616 N VAL A 103 7.951 -12.193 -7.645 1.00 0.21 N ATOM 1617 CA VAL A 103 8.855 -11.167 -8.170 1.00 0.23 C ATOM 1618 C VAL A 103 10.084 -10.991 -7.284 1.00 0.19 C ATOM 1619 O VAL A 103 11.216 -10.959 -7.772 1.00 0.21 O ATOM 1620 CB VAL A 103 8.143 -9.801 -8.317 1.00 0.27 C ATOM 1621 CG1 VAL A 103 9.098 -8.746 -8.855 1.00 0.35 C ATOM 1622 CG2 VAL A 103 6.934 -9.924 -9.230 1.00 0.35 C ATOM 0 H VAL A 103 7.015 -11.850 -7.426 1.00 0.21 H new ATOM 0 HA VAL A 103 9.171 -11.514 -9.154 1.00 0.23 H new ATOM 0 HB VAL A 103 7.806 -9.490 -7.328 1.00 0.27 H new ATOM 0 HG11 VAL A 103 8.574 -7.795 -8.949 1.00 0.35 H new ATOM 0 HG12 VAL A 103 9.937 -8.631 -8.169 1.00 0.35 H new ATOM 0 HG13 VAL A 103 9.468 -9.055 -9.833 1.00 0.35 H new ATOM 0 HG21 VAL A 103 6.447 -8.953 -9.321 1.00 0.35 H new ATOM 0 HG22 VAL A 103 7.255 -10.263 -10.215 1.00 0.35 H new ATOM 0 HG23 VAL A 103 6.232 -10.644 -8.810 1.00 0.35 H new ATOM 1632 N LYS A 104 9.862 -10.878 -5.982 1.00 0.17 N ATOM 1633 CA LYS A 104 10.962 -10.710 -5.042 1.00 0.16 C ATOM 1634 C LYS A 104 11.562 -12.055 -4.679 1.00 0.18 C ATOM 1635 O LYS A 104 12.651 -12.121 -4.099 1.00 0.28 O ATOM 1636 CB LYS A 104 10.491 -9.987 -3.780 1.00 0.18 C ATOM 1637 CG LYS A 104 10.325 -8.490 -3.978 1.00 0.26 C ATOM 1638 CD LYS A 104 10.215 -7.752 -2.655 1.00 0.32 C ATOM 1639 CE LYS A 104 11.558 -7.683 -1.943 1.00 0.51 C ATOM 1640 NZ LYS A 104 12.365 -6.517 -2.388 1.00 0.63 N ATOM 0 H LYS A 104 8.936 -10.899 -5.554 1.00 0.17 H new ATOM 0 HA LYS A 104 11.728 -10.103 -5.524 1.00 0.16 H new ATOM 0 HB2 LYS A 104 9.541 -10.413 -3.458 1.00 0.18 H new ATOM 0 HB3 LYS A 104 11.208 -10.164 -2.978 1.00 0.18 H new ATOM 0 HG2 LYS A 104 11.174 -8.102 -4.541 1.00 0.26 H new ATOM 0 HG3 LYS A 104 9.433 -8.300 -4.575 1.00 0.26 H new ATOM 0 HD2 LYS A 104 9.842 -6.743 -2.830 1.00 0.32 H new ATOM 0 HD3 LYS A 104 9.488 -8.254 -2.016 1.00 0.32 H new ATOM 0 HE2 LYS A 104 11.395 -7.622 -0.867 1.00 0.51 H new ATOM 0 HE3 LYS A 104 12.115 -8.601 -2.129 1.00 0.51 H new ATOM 0 HZ1 LYS A 104 13.310 -6.563 -1.956 1.00 0.63 H new ATOM 0 HZ2 LYS A 104 12.457 -6.533 -3.424 1.00 0.63 H new ATOM 0 HZ3 LYS A 104 11.894 -5.637 -2.096 1.00 0.63 H new ATOM 1654 N ASP A 105 10.844 -13.119 -5.030 1.00 0.17 N ATOM 1655 CA ASP A 105 11.273 -14.486 -4.750 1.00 0.21 C ATOM 1656 C ASP A 105 11.550 -14.646 -3.264 1.00 0.23 C ATOM 1657 O ASP A 105 12.601 -15.143 -2.859 1.00 0.28 O ATOM 1658 CB ASP A 105 12.510 -14.846 -5.582 1.00 0.24 C ATOM 1659 CG ASP A 105 12.704 -16.342 -5.719 1.00 0.34 C ATOM 1660 OD1 ASP A 105 11.725 -17.045 -6.055 1.00 0.43 O ATOM 1661 OD2 ASP A 105 13.838 -16.821 -5.505 1.00 0.47 O ATOM 0 H ASP A 105 9.949 -13.058 -5.516 1.00 0.17 H new ATOM 0 HA ASP A 105 10.474 -15.172 -5.030 1.00 0.21 H new ATOM 0 HB2 ASP A 105 12.418 -14.403 -6.574 1.00 0.24 H new ATOM 0 HB3 ASP A 105 13.395 -14.409 -5.119 1.00 0.24 H new ATOM 1666 N SER A 106 10.604 -14.188 -2.458 1.00 0.28 N ATOM 1667 CA SER A 106 10.725 -14.247 -1.012 1.00 0.33 C ATOM 1668 C SER A 106 9.444 -14.795 -0.396 1.00 0.36 C ATOM 1669 O SER A 106 8.347 -14.528 -0.887 1.00 0.56 O ATOM 1670 CB SER A 106 11.017 -12.849 -0.463 1.00 0.36 C ATOM 1671 OG SER A 106 12.063 -12.226 -1.192 1.00 1.14 O ATOM 0 H SER A 106 9.735 -13.767 -2.787 1.00 0.28 H new ATOM 0 HA SER A 106 11.547 -14.914 -0.751 1.00 0.33 H new ATOM 0 HB2 SER A 106 10.116 -12.237 -0.517 1.00 0.36 H new ATOM 0 HB3 SER A 106 11.293 -12.918 0.589 1.00 0.36 H new ATOM 0 HG SER A 106 12.231 -11.333 -0.825 1.00 1.14 H new ATOM 1677 N GLU A 107 9.588 -15.575 0.667 1.00 0.42 N ATOM 1678 CA GLU A 107 8.436 -16.157 1.339 1.00 0.54 C ATOM 1679 C GLU A 107 7.817 -15.149 2.299 1.00 0.42 C ATOM 1680 O GLU A 107 6.606 -15.147 2.526 1.00 0.54 O ATOM 1681 CB GLU A 107 8.852 -17.424 2.088 1.00 0.74 C ATOM 1682 CG GLU A 107 7.728 -18.438 2.239 1.00 1.11 C ATOM 1683 CD GLU A 107 7.108 -18.820 0.910 1.00 1.17 C ATOM 1684 OE1 GLU A 107 5.878 -18.690 0.764 1.00 1.74 O ATOM 1685 OE2 GLU A 107 7.850 -19.253 0.004 1.00 1.46 O ATOM 0 H GLU A 107 10.488 -15.818 1.081 1.00 0.42 H new ATOM 0 HA GLU A 107 7.689 -16.422 0.591 1.00 0.54 H new ATOM 0 HB2 GLU A 107 9.684 -17.891 1.561 1.00 0.74 H new ATOM 0 HB3 GLU A 107 9.217 -17.148 3.077 1.00 0.74 H new ATOM 0 HG2 GLU A 107 8.114 -19.333 2.727 1.00 1.11 H new ATOM 0 HG3 GLU A 107 6.957 -18.027 2.891 1.00 1.11 H new ATOM 1692 N ASP A 108 8.654 -14.284 2.850 1.00 0.35 N ATOM 1693 CA ASP A 108 8.195 -13.264 3.782 1.00 0.37 C ATOM 1694 C ASP A 108 8.502 -11.879 3.235 1.00 0.29 C ATOM 1695 O ASP A 108 9.663 -11.499 3.104 1.00 0.39 O ATOM 1696 CB ASP A 108 8.852 -13.445 5.156 1.00 0.54 C ATOM 1697 CG ASP A 108 8.290 -12.480 6.186 1.00 0.65 C ATOM 1698 OD1 ASP A 108 7.116 -12.649 6.577 1.00 0.77 O ATOM 1699 OD2 ASP A 108 9.017 -11.554 6.610 1.00 0.78 O ATOM 0 H ASP A 108 9.657 -14.267 2.668 1.00 0.35 H new ATOM 0 HA ASP A 108 7.117 -13.369 3.901 1.00 0.37 H new ATOM 0 HB2 ASP A 108 8.701 -14.469 5.498 1.00 0.54 H new ATOM 0 HB3 ASP A 108 9.928 -13.294 5.066 1.00 0.54 H new ATOM 1704 N VAL A 109 7.464 -11.137 2.889 1.00 0.25 N ATOM 1705 CA VAL A 109 7.632 -9.789 2.355 1.00 0.21 C ATOM 1706 C VAL A 109 6.802 -8.808 3.169 1.00 0.18 C ATOM 1707 O VAL A 109 5.595 -9.002 3.319 1.00 0.25 O ATOM 1708 CB VAL A 109 7.206 -9.695 0.870 1.00 0.27 C ATOM 1709 CG1 VAL A 109 7.566 -8.333 0.291 1.00 0.31 C ATOM 1710 CG2 VAL A 109 7.836 -10.809 0.051 1.00 0.47 C ATOM 0 H VAL A 109 6.494 -11.442 2.967 1.00 0.25 H new ATOM 0 HA VAL A 109 8.692 -9.542 2.421 1.00 0.21 H new ATOM 0 HB VAL A 109 6.123 -9.812 0.823 1.00 0.27 H new ATOM 0 HG11 VAL A 109 7.258 -8.289 -0.754 1.00 0.31 H new ATOM 0 HG12 VAL A 109 7.055 -7.552 0.854 1.00 0.31 H new ATOM 0 HG13 VAL A 109 8.643 -8.182 0.358 1.00 0.31 H new ATOM 0 HG21 VAL A 109 7.520 -10.720 -0.988 1.00 0.47 H new ATOM 0 HG22 VAL A 109 8.922 -10.733 0.108 1.00 0.47 H new ATOM 0 HG23 VAL A 109 7.518 -11.774 0.445 1.00 0.47 H new ATOM 1720 N PRO A 110 7.451 -7.777 3.747 1.00 0.15 N ATOM 1721 CA PRO A 110 6.774 -6.749 4.548 1.00 0.15 C ATOM 1722 C PRO A 110 5.557 -6.173 3.828 1.00 0.14 C ATOM 1723 O PRO A 110 5.688 -5.430 2.849 1.00 0.17 O ATOM 1724 CB PRO A 110 7.848 -5.675 4.724 1.00 0.18 C ATOM 1725 CG PRO A 110 9.145 -6.394 4.606 1.00 0.25 C ATOM 1726 CD PRO A 110 8.907 -7.544 3.668 1.00 0.23 C ATOM 0 HA PRO A 110 6.392 -7.145 5.489 1.00 0.15 H new ATOM 0 HB2 PRO A 110 7.757 -4.900 3.963 1.00 0.18 H new ATOM 0 HB3 PRO A 110 7.758 -5.183 5.693 1.00 0.18 H new ATOM 0 HG2 PRO A 110 9.922 -5.733 4.222 1.00 0.25 H new ATOM 0 HG3 PRO A 110 9.482 -6.750 5.580 1.00 0.25 H new ATOM 0 HD2 PRO A 110 9.217 -7.301 2.652 1.00 0.23 H new ATOM 0 HD3 PRO A 110 9.469 -8.428 3.970 1.00 0.23 H new ATOM 1734 N MET A 111 4.376 -6.537 4.304 1.00 0.13 N ATOM 1735 CA MET A 111 3.135 -6.077 3.704 1.00 0.14 C ATOM 1736 C MET A 111 2.114 -5.749 4.771 1.00 0.15 C ATOM 1737 O MET A 111 2.121 -6.335 5.852 1.00 0.17 O ATOM 1738 CB MET A 111 2.551 -7.146 2.782 1.00 0.17 C ATOM 1739 CG MET A 111 3.313 -7.347 1.486 1.00 0.24 C ATOM 1740 SD MET A 111 2.490 -8.522 0.393 1.00 0.34 S ATOM 1741 CE MET A 111 3.786 -8.845 -0.797 1.00 0.79 C ATOM 0 H MET A 111 4.252 -7.153 5.108 1.00 0.13 H new ATOM 0 HA MET A 111 3.363 -5.181 3.127 1.00 0.14 H new ATOM 0 HB2 MET A 111 2.519 -8.093 3.320 1.00 0.17 H new ATOM 0 HB3 MET A 111 1.521 -6.879 2.545 1.00 0.17 H new ATOM 0 HG2 MET A 111 3.419 -6.390 0.975 1.00 0.24 H new ATOM 0 HG3 MET A 111 4.319 -7.702 1.708 1.00 0.24 H new ATOM 0 HE1 MET A 111 3.746 -9.890 -1.104 1.00 0.79 H new ATOM 0 HE2 MET A 111 3.647 -8.205 -1.669 1.00 0.79 H new ATOM 0 HE3 MET A 111 4.756 -8.637 -0.345 1.00 0.79 H new ATOM 1751 N VAL A 112 1.247 -4.804 4.462 1.00 0.16 N ATOM 1752 CA VAL A 112 0.185 -4.406 5.368 1.00 0.16 C ATOM 1753 C VAL A 112 -1.121 -4.347 4.591 1.00 0.17 C ATOM 1754 O VAL A 112 -1.222 -3.636 3.589 1.00 0.17 O ATOM 1755 CB VAL A 112 0.473 -3.040 6.040 1.00 0.17 C ATOM 1756 CG1 VAL A 112 -0.764 -2.504 6.753 1.00 0.22 C ATOM 1757 CG2 VAL A 112 1.633 -3.163 7.021 1.00 0.21 C ATOM 0 H VAL A 112 1.258 -4.292 3.580 1.00 0.16 H new ATOM 0 HA VAL A 112 0.118 -5.143 6.168 1.00 0.16 H new ATOM 0 HB VAL A 112 0.746 -2.333 5.256 1.00 0.17 H new ATOM 0 HG11 VAL A 112 -0.531 -1.545 7.215 1.00 0.22 H new ATOM 0 HG12 VAL A 112 -1.571 -2.373 6.032 1.00 0.22 H new ATOM 0 HG13 VAL A 112 -1.075 -3.211 7.522 1.00 0.22 H new ATOM 0 HG21 VAL A 112 1.822 -2.195 7.484 1.00 0.21 H new ATOM 0 HG22 VAL A 112 1.382 -3.891 7.792 1.00 0.21 H new ATOM 0 HG23 VAL A 112 2.526 -3.491 6.489 1.00 0.21 H new ATOM 1767 N LEU A 113 -2.099 -5.119 5.032 1.00 0.18 N ATOM 1768 CA LEU A 113 -3.392 -5.157 4.372 1.00 0.19 C ATOM 1769 C LEU A 113 -4.302 -4.095 4.969 1.00 0.20 C ATOM 1770 O LEU A 113 -4.504 -4.044 6.182 1.00 0.23 O ATOM 1771 CB LEU A 113 -4.012 -6.551 4.510 1.00 0.23 C ATOM 1772 CG LEU A 113 -5.361 -6.744 3.814 1.00 0.23 C ATOM 1773 CD1 LEU A 113 -5.214 -6.600 2.309 1.00 0.26 C ATOM 1774 CD2 LEU A 113 -5.950 -8.105 4.158 1.00 0.29 C ATOM 0 H LEU A 113 -2.022 -5.729 5.846 1.00 0.18 H new ATOM 0 HA LEU A 113 -3.264 -4.947 3.310 1.00 0.19 H new ATOM 0 HB2 LEU A 113 -3.309 -7.283 4.112 1.00 0.23 H new ATOM 0 HB3 LEU A 113 -4.135 -6.771 5.570 1.00 0.23 H new ATOM 0 HG LEU A 113 -6.041 -5.970 4.170 1.00 0.23 H new ATOM 0 HD11 LEU A 113 -6.185 -6.741 1.833 1.00 0.26 H new ATOM 0 HD12 LEU A 113 -4.836 -5.605 2.074 1.00 0.26 H new ATOM 0 HD13 LEU A 113 -4.516 -7.351 1.938 1.00 0.26 H new ATOM 0 HD21 LEU A 113 -6.909 -8.224 3.654 1.00 0.29 H new ATOM 0 HD22 LEU A 113 -5.268 -8.890 3.831 1.00 0.29 H new ATOM 0 HD23 LEU A 113 -6.095 -8.177 5.236 1.00 0.29 H new ATOM 1786 N VAL A 114 -4.839 -3.232 4.125 1.00 0.23 N ATOM 1787 CA VAL A 114 -5.714 -2.171 4.594 1.00 0.28 C ATOM 1788 C VAL A 114 -6.970 -2.057 3.746 1.00 0.24 C ATOM 1789 O VAL A 114 -6.910 -1.992 2.515 1.00 0.30 O ATOM 1790 CB VAL A 114 -4.996 -0.803 4.620 1.00 0.38 C ATOM 1791 CG1 VAL A 114 -4.183 -0.645 5.896 1.00 0.82 C ATOM 1792 CG2 VAL A 114 -4.103 -0.631 3.399 1.00 0.59 C ATOM 0 H VAL A 114 -4.686 -3.244 3.117 1.00 0.23 H new ATOM 0 HA VAL A 114 -5.997 -2.442 5.611 1.00 0.28 H new ATOM 0 HB VAL A 114 -5.759 -0.025 4.597 1.00 0.38 H new ATOM 0 HG11 VAL A 114 -3.686 0.325 5.893 1.00 0.82 H new ATOM 0 HG12 VAL A 114 -4.845 -0.711 6.760 1.00 0.82 H new ATOM 0 HG13 VAL A 114 -3.435 -1.436 5.951 1.00 0.82 H new ATOM 0 HG21 VAL A 114 -3.610 0.340 3.443 1.00 0.59 H new ATOM 0 HG22 VAL A 114 -3.351 -1.420 3.384 1.00 0.59 H new ATOM 0 HG23 VAL A 114 -4.708 -0.690 2.494 1.00 0.59 H new ATOM 1802 N GLY A 115 -8.106 -2.046 4.417 1.00 0.20 N ATOM 1803 CA GLY A 115 -9.369 -1.917 3.731 1.00 0.19 C ATOM 1804 C GLY A 115 -9.797 -0.473 3.695 1.00 0.19 C ATOM 1805 O GLY A 115 -10.232 0.070 4.710 1.00 0.27 O ATOM 0 H GLY A 115 -8.176 -2.125 5.432 1.00 0.20 H new ATOM 0 HA2 GLY A 115 -9.281 -2.303 2.715 1.00 0.19 H new ATOM 0 HA3 GLY A 115 -10.128 -2.516 4.235 1.00 0.19 H new ATOM 1809 N ASN A 116 -9.644 0.159 2.544 1.00 0.16 N ATOM 1810 CA ASN A 116 -9.999 1.560 2.396 1.00 0.15 C ATOM 1811 C ASN A 116 -11.495 1.711 2.166 1.00 0.16 C ATOM 1812 O ASN A 116 -12.180 0.733 1.854 1.00 0.16 O ATOM 1813 CB ASN A 116 -9.207 2.186 1.245 1.00 0.16 C ATOM 1814 CG ASN A 116 -9.211 3.706 1.279 1.00 0.17 C ATOM 1815 OD1 ASN A 116 -9.488 4.321 2.310 1.00 0.19 O ATOM 1816 ND2 ASN A 116 -8.888 4.326 0.154 1.00 0.21 N ATOM 0 H ASN A 116 -9.276 -0.276 1.698 1.00 0.16 H new ATOM 0 HA ASN A 116 -9.744 2.084 3.317 1.00 0.15 H new ATOM 0 HB2 ASN A 116 -8.178 1.830 1.284 1.00 0.16 H new ATOM 0 HB3 ASN A 116 -9.626 1.848 0.297 1.00 0.16 H new ATOM 0 HD21 ASN A 116 -8.863 5.345 0.122 1.00 0.21 H new ATOM 0 HD22 ASN A 116 -8.664 3.784 -0.681 1.00 0.21 H new ATOM 1823 N LYS A 117 -11.990 2.940 2.334 1.00 0.18 N ATOM 1824 CA LYS A 117 -13.406 3.263 2.154 1.00 0.21 C ATOM 1825 C LYS A 117 -14.250 2.583 3.231 1.00 0.23 C ATOM 1826 O LYS A 117 -15.372 2.146 2.972 1.00 0.26 O ATOM 1827 CB LYS A 117 -13.902 2.844 0.759 1.00 0.21 C ATOM 1828 CG LYS A 117 -13.031 3.332 -0.391 1.00 0.25 C ATOM 1829 CD LYS A 117 -13.618 2.931 -1.732 1.00 0.31 C ATOM 1830 CE LYS A 117 -12.715 3.335 -2.881 1.00 0.42 C ATOM 1831 NZ LYS A 117 -13.459 3.421 -4.167 1.00 0.54 N ATOM 0 H LYS A 117 -11.417 3.741 2.600 1.00 0.18 H new ATOM 0 HA LYS A 117 -13.513 4.344 2.245 1.00 0.21 H new ATOM 0 HB2 LYS A 117 -13.960 1.756 0.719 1.00 0.21 H new ATOM 0 HB3 LYS A 117 -14.914 3.222 0.618 1.00 0.21 H new ATOM 0 HG2 LYS A 117 -12.935 4.417 -0.343 1.00 0.25 H new ATOM 0 HG3 LYS A 117 -12.028 2.918 -0.292 1.00 0.25 H new ATOM 0 HD2 LYS A 117 -13.774 1.852 -1.753 1.00 0.31 H new ATOM 0 HD3 LYS A 117 -14.596 3.397 -1.856 1.00 0.31 H new ATOM 0 HE2 LYS A 117 -12.257 4.299 -2.661 1.00 0.42 H new ATOM 0 HE3 LYS A 117 -11.905 2.612 -2.978 1.00 0.42 H new ATOM 0 HZ1 LYS A 117 -12.801 3.277 -4.959 1.00 0.54 H new ATOM 0 HZ2 LYS A 117 -14.196 2.688 -4.191 1.00 0.54 H new ATOM 0 HZ3 LYS A 117 -13.901 4.359 -4.251 1.00 0.54 H new ATOM 1845 N CYS A 118 -13.709 2.512 4.445 1.00 0.27 N ATOM 1846 CA CYS A 118 -14.401 1.874 5.562 1.00 0.33 C ATOM 1847 C CYS A 118 -15.643 2.661 5.991 1.00 0.38 C ATOM 1848 O CYS A 118 -16.489 2.150 6.730 1.00 0.46 O ATOM 1849 CB CYS A 118 -13.448 1.709 6.748 1.00 0.36 C ATOM 1850 SG CYS A 118 -12.864 3.267 7.462 1.00 0.41 S ATOM 0 H CYS A 118 -12.791 2.889 4.680 1.00 0.27 H new ATOM 0 HA CYS A 118 -14.734 0.893 5.224 1.00 0.33 H new ATOM 0 HB2 CYS A 118 -13.951 1.134 7.525 1.00 0.36 H new ATOM 0 HB3 CYS A 118 -12.586 1.125 6.427 1.00 0.36 H new ATOM 0 HG CYS A 118 -12.067 3.016 8.458 1.00 0.41 H new ATOM 1856 N ASP A 119 -15.754 3.895 5.515 1.00 0.38 N ATOM 1857 CA ASP A 119 -16.887 4.745 5.854 1.00 0.45 C ATOM 1858 C ASP A 119 -18.029 4.555 4.858 1.00 0.46 C ATOM 1859 O ASP A 119 -19.133 5.063 5.064 1.00 0.54 O ATOM 1860 CB ASP A 119 -16.470 6.222 5.890 1.00 0.52 C ATOM 1861 CG ASP A 119 -16.159 6.780 4.517 1.00 0.54 C ATOM 1862 OD1 ASP A 119 -15.057 6.495 4.000 1.00 0.44 O ATOM 1863 OD2 ASP A 119 -17.016 7.508 3.955 1.00 0.70 O ATOM 0 H ASP A 119 -15.072 4.329 4.893 1.00 0.38 H new ATOM 0 HA ASP A 119 -17.234 4.453 6.845 1.00 0.45 H new ATOM 0 HB2 ASP A 119 -17.269 6.809 6.343 1.00 0.52 H new ATOM 0 HB3 ASP A 119 -15.593 6.331 6.528 1.00 0.52 H new ATOM 1868 N LEU A 120 -17.768 3.824 3.779 1.00 0.42 N ATOM 1869 CA LEU A 120 -18.785 3.585 2.763 1.00 0.45 C ATOM 1870 C LEU A 120 -19.775 2.514 3.221 1.00 0.42 C ATOM 1871 O LEU A 120 -19.372 1.445 3.685 1.00 0.44 O ATOM 1872 CB LEU A 120 -18.142 3.173 1.435 1.00 0.53 C ATOM 1873 CG LEU A 120 -17.509 4.316 0.638 1.00 0.59 C ATOM 1874 CD1 LEU A 120 -17.125 3.841 -0.752 1.00 0.67 C ATOM 1875 CD2 LEU A 120 -18.461 5.502 0.550 1.00 0.62 C ATOM 0 H LEU A 120 -16.866 3.389 3.587 1.00 0.42 H new ATOM 0 HA LEU A 120 -19.329 4.517 2.613 1.00 0.45 H new ATOM 0 HB2 LEU A 120 -17.376 2.424 1.637 1.00 0.53 H new ATOM 0 HB3 LEU A 120 -18.900 2.695 0.815 1.00 0.53 H new ATOM 0 HG LEU A 120 -16.607 4.639 1.158 1.00 0.59 H new ATOM 0 HD11 LEU A 120 -16.676 4.665 -1.307 1.00 0.67 H new ATOM 0 HD12 LEU A 120 -16.408 3.024 -0.672 1.00 0.67 H new ATOM 0 HD13 LEU A 120 -18.015 3.493 -1.276 1.00 0.67 H new ATOM 0 HD21 LEU A 120 -17.992 6.304 -0.020 1.00 0.62 H new ATOM 0 HD22 LEU A 120 -19.381 5.194 0.054 1.00 0.62 H new ATOM 0 HD23 LEU A 120 -18.692 5.858 1.554 1.00 0.62 H new ATOM 1887 N PRO A 121 -21.086 2.795 3.116 1.00 0.42 N ATOM 1888 CA PRO A 121 -22.137 1.851 3.511 1.00 0.43 C ATOM 1889 C PRO A 121 -22.212 0.650 2.572 1.00 0.48 C ATOM 1890 O PRO A 121 -21.552 0.624 1.527 1.00 0.53 O ATOM 1891 CB PRO A 121 -23.434 2.673 3.419 1.00 0.44 C ATOM 1892 CG PRO A 121 -23.016 4.091 3.232 1.00 0.54 C ATOM 1893 CD PRO A 121 -21.651 4.056 2.614 1.00 0.44 C ATOM 0 HA PRO A 121 -21.952 1.440 4.503 1.00 0.43 H new ATOM 0 HB2 PRO A 121 -24.050 2.336 2.585 1.00 0.44 H new ATOM 0 HB3 PRO A 121 -24.032 2.560 4.323 1.00 0.44 H new ATOM 0 HG2 PRO A 121 -23.719 4.621 2.589 1.00 0.54 H new ATOM 0 HG3 PRO A 121 -22.996 4.618 4.186 1.00 0.54 H new ATOM 0 HD2 PRO A 121 -21.702 4.069 1.525 1.00 0.44 H new ATOM 0 HD3 PRO A 121 -21.051 4.914 2.915 1.00 0.44 H new ATOM 1901 N SER A 122 -23.023 -0.337 2.951 1.00 0.52 N ATOM 1902 CA SER A 122 -23.203 -1.544 2.156 1.00 0.59 C ATOM 1903 C SER A 122 -21.877 -2.297 2.013 1.00 0.53 C ATOM 1904 O SER A 122 -21.425 -2.599 0.904 1.00 0.55 O ATOM 1905 CB SER A 122 -23.780 -1.184 0.785 1.00 0.68 C ATOM 1906 OG SER A 122 -24.971 -0.418 0.919 1.00 0.84 O ATOM 0 H SER A 122 -23.569 -0.320 3.812 1.00 0.52 H new ATOM 0 HA SER A 122 -23.907 -2.202 2.666 1.00 0.59 H new ATOM 0 HB2 SER A 122 -23.043 -0.620 0.213 1.00 0.68 H new ATOM 0 HB3 SER A 122 -23.990 -2.095 0.224 1.00 0.68 H new ATOM 0 HG SER A 122 -25.320 -0.198 0.030 1.00 0.84 H new ATOM 1912 N ARG A 123 -21.267 -2.594 3.151 1.00 0.47 N ATOM 1913 CA ARG A 123 -19.995 -3.299 3.189 1.00 0.41 C ATOM 1914 C ARG A 123 -20.132 -4.717 2.635 1.00 0.36 C ATOM 1915 O ARG A 123 -20.998 -5.482 3.070 1.00 0.41 O ATOM 1916 CB ARG A 123 -19.469 -3.347 4.625 1.00 0.45 C ATOM 1917 CG ARG A 123 -18.221 -4.197 4.777 1.00 0.42 C ATOM 1918 CD ARG A 123 -18.074 -4.729 6.191 1.00 0.43 C ATOM 1919 NE ARG A 123 -17.711 -3.681 7.135 1.00 0.40 N ATOM 1920 CZ ARG A 123 -16.453 -3.367 7.453 1.00 0.45 C ATOM 1921 NH1 ARG A 123 -15.434 -4.017 6.904 1.00 0.55 N ATOM 1922 NH2 ARG A 123 -16.208 -2.405 8.325 1.00 0.58 N ATOM 0 H ARG A 123 -21.638 -2.354 4.070 1.00 0.47 H new ATOM 0 HA ARG A 123 -19.287 -2.758 2.561 1.00 0.41 H new ATOM 0 HB2 ARG A 123 -19.253 -2.333 4.960 1.00 0.45 H new ATOM 0 HB3 ARG A 123 -20.249 -3.739 5.278 1.00 0.45 H new ATOM 0 HG2 ARG A 123 -18.261 -5.031 4.077 1.00 0.42 H new ATOM 0 HG3 ARG A 123 -17.343 -3.605 4.518 1.00 0.42 H new ATOM 0 HD2 ARG A 123 -19.011 -5.190 6.504 1.00 0.43 H new ATOM 0 HD3 ARG A 123 -17.314 -5.510 6.207 1.00 0.43 H new ATOM 0 HE ARG A 123 -18.463 -3.155 7.580 1.00 0.40 H new ATOM 0 HH11 ARG A 123 -15.608 -4.764 6.232 1.00 0.55 H new ATOM 0 HH12 ARG A 123 -14.477 -3.769 7.154 1.00 0.55 H new ATOM 0 HH21 ARG A 123 -16.981 -1.900 8.758 1.00 0.58 H new ATOM 0 HH22 ARG A 123 -15.246 -2.168 8.566 1.00 0.58 H new ATOM 1936 N THR A 124 -19.278 -5.054 1.679 1.00 0.33 N ATOM 1937 CA THR A 124 -19.291 -6.372 1.071 1.00 0.32 C ATOM 1938 C THR A 124 -18.211 -7.257 1.689 1.00 0.30 C ATOM 1939 O THR A 124 -18.440 -8.439 1.961 1.00 0.33 O ATOM 1940 CB THR A 124 -19.079 -6.271 -0.450 1.00 0.38 C ATOM 1941 OG1 THR A 124 -19.369 -4.936 -0.886 1.00 0.65 O ATOM 1942 CG2 THR A 124 -19.983 -7.250 -1.186 1.00 0.81 C ATOM 0 H THR A 124 -18.564 -4.427 1.308 1.00 0.33 H new ATOM 0 HA THR A 124 -20.266 -6.822 1.259 1.00 0.32 H new ATOM 0 HB THR A 124 -18.041 -6.518 -0.673 1.00 0.38 H new ATOM 0 HG1 THR A 124 -19.232 -4.871 -1.854 1.00 0.65 H new ATOM 0 HG21 THR A 124 -19.817 -7.162 -2.260 1.00 0.81 H new ATOM 0 HG22 THR A 124 -19.755 -8.267 -0.866 1.00 0.81 H new ATOM 0 HG23 THR A 124 -21.025 -7.023 -0.960 1.00 0.81 H new ATOM 1950 N VAL A 125 -17.040 -6.678 1.920 1.00 0.33 N ATOM 1951 CA VAL A 125 -15.932 -7.414 2.511 1.00 0.32 C ATOM 1952 C VAL A 125 -15.989 -7.324 4.035 1.00 0.35 C ATOM 1953 O VAL A 125 -15.820 -6.245 4.609 1.00 0.37 O ATOM 1954 CB VAL A 125 -14.568 -6.886 2.025 1.00 0.31 C ATOM 1955 CG1 VAL A 125 -13.447 -7.807 2.479 1.00 0.34 C ATOM 1956 CG2 VAL A 125 -14.556 -6.736 0.513 1.00 0.28 C ATOM 0 H VAL A 125 -16.834 -5.702 1.707 1.00 0.33 H new ATOM 0 HA VAL A 125 -16.031 -8.452 2.195 1.00 0.32 H new ATOM 0 HB VAL A 125 -14.406 -5.902 2.466 1.00 0.31 H new ATOM 0 HG11 VAL A 125 -12.492 -7.418 2.127 1.00 0.34 H new ATOM 0 HG12 VAL A 125 -13.438 -7.860 3.568 1.00 0.34 H new ATOM 0 HG13 VAL A 125 -13.607 -8.804 2.069 1.00 0.34 H new ATOM 0 HG21 VAL A 125 -13.584 -6.362 0.192 1.00 0.28 H new ATOM 0 HG22 VAL A 125 -14.743 -7.705 0.050 1.00 0.28 H new ATOM 0 HG23 VAL A 125 -15.333 -6.033 0.211 1.00 0.28 H new ATOM 1966 N ASP A 126 -16.238 -8.458 4.681 1.00 0.37 N ATOM 1967 CA ASP A 126 -16.328 -8.518 6.135 1.00 0.41 C ATOM 1968 C ASP A 126 -14.957 -8.311 6.774 1.00 0.36 C ATOM 1969 O ASP A 126 -13.933 -8.699 6.207 1.00 0.34 O ATOM 1970 CB ASP A 126 -16.915 -9.861 6.566 1.00 0.47 C ATOM 1971 CG ASP A 126 -16.962 -10.010 8.071 1.00 0.89 C ATOM 1972 OD1 ASP A 126 -17.737 -9.270 8.717 1.00 1.36 O ATOM 1973 OD2 ASP A 126 -16.224 -10.856 8.608 1.00 1.69 O ATOM 0 H ASP A 126 -16.382 -9.354 4.216 1.00 0.37 H new ATOM 0 HA ASP A 126 -16.985 -7.717 6.473 1.00 0.41 H new ATOM 0 HB2 ASP A 126 -17.922 -9.962 6.161 1.00 0.47 H new ATOM 0 HB3 ASP A 126 -16.319 -10.669 6.141 1.00 0.47 H new ATOM 1978 N THR A 127 -14.951 -7.698 7.952 1.00 0.36 N ATOM 1979 CA THR A 127 -13.723 -7.419 8.680 1.00 0.33 C ATOM 1980 C THR A 127 -12.949 -8.700 9.004 1.00 0.27 C ATOM 1981 O THR A 127 -11.740 -8.779 8.772 1.00 0.26 O ATOM 1982 CB THR A 127 -14.031 -6.671 9.987 1.00 0.39 C ATOM 1983 OG1 THR A 127 -15.227 -5.888 9.821 1.00 0.82 O ATOM 1984 CG2 THR A 127 -12.878 -5.761 10.380 1.00 0.56 C ATOM 0 H THR A 127 -15.796 -7.382 8.427 1.00 0.36 H new ATOM 0 HA THR A 127 -13.103 -6.796 8.035 1.00 0.33 H new ATOM 0 HB THR A 127 -14.174 -7.406 10.779 1.00 0.39 H new ATOM 0 HG1 THR A 127 -15.425 -5.412 10.655 1.00 0.82 H new ATOM 0 HG21 THR A 127 -13.122 -5.244 11.308 1.00 0.56 H new ATOM 0 HG22 THR A 127 -11.977 -6.357 10.523 1.00 0.56 H new ATOM 0 HG23 THR A 127 -12.707 -5.029 9.591 1.00 0.56 H new ATOM 1992 N LYS A 128 -13.653 -9.710 9.512 1.00 0.28 N ATOM 1993 CA LYS A 128 -13.021 -10.976 9.871 1.00 0.27 C ATOM 1994 C LYS A 128 -12.479 -11.675 8.632 1.00 0.24 C ATOM 1995 O LYS A 128 -11.430 -12.312 8.685 1.00 0.24 O ATOM 1996 CB LYS A 128 -14.010 -11.900 10.584 1.00 0.34 C ATOM 1997 CG LYS A 128 -13.415 -13.245 10.969 1.00 0.39 C ATOM 1998 CD LYS A 128 -14.472 -14.337 10.995 1.00 0.46 C ATOM 1999 CE LYS A 128 -13.864 -15.707 11.249 1.00 0.54 C ATOM 2000 NZ LYS A 128 -13.037 -16.174 10.104 1.00 0.62 N ATOM 0 H LYS A 128 -14.658 -9.676 9.683 1.00 0.28 H new ATOM 0 HA LYS A 128 -12.196 -10.753 10.548 1.00 0.27 H new ATOM 0 HB2 LYS A 128 -14.376 -11.403 11.482 1.00 0.34 H new ATOM 0 HB3 LYS A 128 -14.872 -12.065 9.937 1.00 0.34 H new ATOM 0 HG2 LYS A 128 -12.631 -13.513 10.260 1.00 0.39 H new ATOM 0 HG3 LYS A 128 -12.946 -13.169 11.950 1.00 0.39 H new ATOM 0 HD2 LYS A 128 -15.204 -14.115 11.771 1.00 0.46 H new ATOM 0 HD3 LYS A 128 -15.007 -14.347 10.045 1.00 0.46 H new ATOM 0 HE2 LYS A 128 -13.249 -15.669 12.148 1.00 0.54 H new ATOM 0 HE3 LYS A 128 -14.660 -16.427 11.438 1.00 0.54 H new ATOM 0 HZ1 LYS A 128 -13.331 -17.134 9.832 1.00 0.62 H new ATOM 0 HZ2 LYS A 128 -13.167 -15.531 9.297 1.00 0.62 H new ATOM 0 HZ3 LYS A 128 -12.035 -16.184 10.381 1.00 0.62 H new ATOM 2014 N GLN A 129 -13.200 -11.539 7.523 1.00 0.25 N ATOM 2015 CA GLN A 129 -12.801 -12.155 6.261 1.00 0.26 C ATOM 2016 C GLN A 129 -11.427 -11.658 5.824 1.00 0.25 C ATOM 2017 O GLN A 129 -10.575 -12.444 5.412 1.00 0.31 O ATOM 2018 CB GLN A 129 -13.830 -11.852 5.173 1.00 0.30 C ATOM 2019 CG GLN A 129 -13.799 -12.833 4.019 1.00 0.54 C ATOM 2020 CD GLN A 129 -14.703 -12.425 2.876 1.00 0.68 C ATOM 2021 OE1 GLN A 129 -15.698 -11.718 3.066 1.00 0.89 O ATOM 2022 NE2 GLN A 129 -14.376 -12.881 1.681 1.00 0.93 N ATOM 0 H GLN A 129 -14.068 -11.005 7.473 1.00 0.25 H new ATOM 0 HA GLN A 129 -12.749 -13.233 6.414 1.00 0.26 H new ATOM 0 HB2 GLN A 129 -14.826 -11.856 5.616 1.00 0.30 H new ATOM 0 HB3 GLN A 129 -13.655 -10.847 4.789 1.00 0.30 H new ATOM 0 HG2 GLN A 129 -12.776 -12.923 3.653 1.00 0.54 H new ATOM 0 HG3 GLN A 129 -14.097 -13.818 4.378 1.00 0.54 H new ATOM 0 HE21 GLN A 129 -13.546 -13.462 1.567 1.00 0.93 H new ATOM 0 HE22 GLN A 129 -14.954 -12.652 0.872 1.00 0.93 H new ATOM 2031 N ALA A 130 -11.215 -10.355 5.933 1.00 0.24 N ATOM 2032 CA ALA A 130 -9.945 -9.759 5.554 1.00 0.27 C ATOM 2033 C ALA A 130 -8.861 -10.101 6.565 1.00 0.25 C ATOM 2034 O ALA A 130 -7.721 -10.392 6.199 1.00 0.27 O ATOM 2035 CB ALA A 130 -10.091 -8.255 5.413 1.00 0.30 C ATOM 0 H ALA A 130 -11.907 -9.691 6.281 1.00 0.24 H new ATOM 0 HA ALA A 130 -9.647 -10.171 4.590 1.00 0.27 H new ATOM 0 HB1 ALA A 130 -9.132 -7.821 5.129 1.00 0.30 H new ATOM 0 HB2 ALA A 130 -10.832 -8.032 4.645 1.00 0.30 H new ATOM 0 HB3 ALA A 130 -10.414 -7.830 6.363 1.00 0.30 H new ATOM 2041 N GLN A 131 -9.233 -10.080 7.839 1.00 0.23 N ATOM 2042 CA GLN A 131 -8.308 -10.385 8.924 1.00 0.26 C ATOM 2043 C GLN A 131 -7.841 -11.840 8.852 1.00 0.27 C ATOM 2044 O GLN A 131 -6.695 -12.159 9.180 1.00 0.28 O ATOM 2045 CB GLN A 131 -8.986 -10.113 10.268 1.00 0.28 C ATOM 2046 CG GLN A 131 -8.028 -10.109 11.445 1.00 0.34 C ATOM 2047 CD GLN A 131 -7.145 -8.877 11.467 1.00 0.39 C ATOM 2048 OE1 GLN A 131 -6.066 -8.866 10.882 1.00 0.47 O ATOM 2049 NE2 GLN A 131 -7.596 -7.829 12.137 1.00 0.42 N ATOM 0 H GLN A 131 -10.178 -9.853 8.148 1.00 0.23 H new ATOM 0 HA GLN A 131 -7.431 -9.745 8.825 1.00 0.26 H new ATOM 0 HB2 GLN A 131 -9.493 -9.149 10.221 1.00 0.28 H new ATOM 0 HB3 GLN A 131 -9.753 -10.869 10.438 1.00 0.28 H new ATOM 0 HG2 GLN A 131 -8.597 -10.162 12.373 1.00 0.34 H new ATOM 0 HG3 GLN A 131 -7.402 -11.001 11.404 1.00 0.34 H new ATOM 0 HE21 GLN A 131 -8.498 -7.876 12.611 1.00 0.42 H new ATOM 0 HE22 GLN A 131 -7.042 -6.974 12.180 1.00 0.42 H new ATOM 2058 N ASP A 132 -8.740 -12.715 8.411 1.00 0.29 N ATOM 2059 CA ASP A 132 -8.439 -14.139 8.290 1.00 0.33 C ATOM 2060 C ASP A 132 -7.336 -14.357 7.273 1.00 0.28 C ATOM 2061 O ASP A 132 -6.434 -15.173 7.481 1.00 0.30 O ATOM 2062 CB ASP A 132 -9.691 -14.916 7.879 1.00 0.41 C ATOM 2063 CG ASP A 132 -10.054 -15.999 8.872 1.00 0.58 C ATOM 2064 OD1 ASP A 132 -10.404 -15.658 10.025 1.00 1.17 O ATOM 2065 OD2 ASP A 132 -10.013 -17.189 8.501 1.00 1.18 O ATOM 0 H ASP A 132 -9.687 -12.462 8.130 1.00 0.29 H new ATOM 0 HA ASP A 132 -8.103 -14.505 9.260 1.00 0.33 H new ATOM 0 HB2 ASP A 132 -10.527 -14.224 7.779 1.00 0.41 H new ATOM 0 HB3 ASP A 132 -9.530 -15.365 6.899 1.00 0.41 H new ATOM 2070 N LEU A 133 -7.405 -13.615 6.177 1.00 0.27 N ATOM 2071 CA LEU A 133 -6.407 -13.719 5.131 1.00 0.26 C ATOM 2072 C LEU A 133 -5.090 -13.145 5.626 1.00 0.21 C ATOM 2073 O LEU A 133 -4.022 -13.715 5.395 1.00 0.20 O ATOM 2074 CB LEU A 133 -6.862 -12.980 3.871 1.00 0.32 C ATOM 2075 CG LEU A 133 -6.005 -13.224 2.629 1.00 0.34 C ATOM 2076 CD1 LEU A 133 -6.117 -14.675 2.187 1.00 0.44 C ATOM 2077 CD2 LEU A 133 -6.412 -12.280 1.507 1.00 0.44 C ATOM 0 H LEU A 133 -8.143 -12.935 5.992 1.00 0.27 H new ATOM 0 HA LEU A 133 -6.273 -14.771 4.879 1.00 0.26 H new ATOM 0 HB2 LEU A 133 -7.888 -13.272 3.648 1.00 0.32 H new ATOM 0 HB3 LEU A 133 -6.874 -11.910 4.081 1.00 0.32 H new ATOM 0 HG LEU A 133 -4.963 -13.023 2.878 1.00 0.34 H new ATOM 0 HD11 LEU A 133 -5.502 -14.834 1.302 1.00 0.44 H new ATOM 0 HD12 LEU A 133 -5.774 -15.327 2.990 1.00 0.44 H new ATOM 0 HD13 LEU A 133 -7.156 -14.905 1.952 1.00 0.44 H new ATOM 0 HD21 LEU A 133 -5.792 -12.468 0.631 1.00 0.44 H new ATOM 0 HD22 LEU A 133 -7.459 -12.447 1.253 1.00 0.44 H new ATOM 0 HD23 LEU A 133 -6.278 -11.248 1.833 1.00 0.44 H new ATOM 2089 N ALA A 134 -5.188 -12.015 6.323 1.00 0.21 N ATOM 2090 CA ALA A 134 -4.020 -11.345 6.877 1.00 0.21 C ATOM 2091 C ALA A 134 -3.274 -12.275 7.827 1.00 0.22 C ATOM 2092 O ALA A 134 -2.049 -12.392 7.761 1.00 0.25 O ATOM 2093 CB ALA A 134 -4.435 -10.069 7.594 1.00 0.25 C ATOM 0 H ALA A 134 -6.072 -11.544 6.517 1.00 0.21 H new ATOM 0 HA ALA A 134 -3.350 -11.080 6.060 1.00 0.21 H new ATOM 0 HB1 ALA A 134 -3.552 -9.578 8.003 1.00 0.25 H new ATOM 0 HB2 ALA A 134 -4.928 -9.400 6.889 1.00 0.25 H new ATOM 0 HB3 ALA A 134 -5.122 -10.314 8.404 1.00 0.25 H new ATOM 2099 N ARG A 135 -4.028 -12.946 8.693 1.00 0.24 N ATOM 2100 CA ARG A 135 -3.466 -13.878 9.663 1.00 0.30 C ATOM 2101 C ARG A 135 -2.698 -15.000 8.954 1.00 0.25 C ATOM 2102 O ARG A 135 -1.579 -15.341 9.335 1.00 0.28 O ATOM 2103 CB ARG A 135 -4.582 -14.485 10.525 1.00 0.41 C ATOM 2104 CG ARG A 135 -4.107 -15.627 11.415 1.00 1.21 C ATOM 2105 CD ARG A 135 -5.217 -16.616 11.720 1.00 1.34 C ATOM 2106 NE ARG A 135 -6.136 -16.102 12.731 1.00 1.20 N ATOM 2107 CZ ARG A 135 -7.469 -16.179 12.649 1.00 1.04 C ATOM 2108 NH1 ARG A 135 -8.042 -16.748 11.595 1.00 1.54 N ATOM 2109 NH2 ARG A 135 -8.227 -15.717 13.631 1.00 1.43 N ATOM 0 H ARG A 135 -5.043 -12.859 8.741 1.00 0.24 H new ATOM 0 HA ARG A 135 -2.776 -13.327 10.302 1.00 0.30 H new ATOM 0 HB2 ARG A 135 -5.014 -13.703 11.150 1.00 0.41 H new ATOM 0 HB3 ARG A 135 -5.377 -14.848 9.874 1.00 0.41 H new ATOM 0 HG2 ARG A 135 -3.283 -16.147 10.927 1.00 1.21 H new ATOM 0 HG3 ARG A 135 -3.718 -15.220 12.349 1.00 1.21 H new ATOM 0 HD2 ARG A 135 -5.768 -16.837 10.806 1.00 1.34 H new ATOM 0 HD3 ARG A 135 -4.783 -17.554 12.066 1.00 1.34 H new ATOM 0 HE ARG A 135 -5.735 -15.654 13.555 1.00 1.20 H new ATOM 0 HH11 ARG A 135 -7.465 -17.128 10.844 1.00 1.54 H new ATOM 0 HH12 ARG A 135 -9.059 -16.805 11.536 1.00 1.54 H new ATOM 0 HH21 ARG A 135 -7.795 -15.300 14.455 1.00 1.43 H new ATOM 0 HH22 ARG A 135 -9.243 -15.778 13.563 1.00 1.43 H new ATOM 2123 N SER A 136 -3.308 -15.553 7.911 1.00 0.30 N ATOM 2124 CA SER A 136 -2.704 -16.644 7.146 1.00 0.34 C ATOM 2125 C SER A 136 -1.436 -16.181 6.423 1.00 0.29 C ATOM 2126 O SER A 136 -0.469 -16.936 6.292 1.00 0.36 O ATOM 2127 CB SER A 136 -3.720 -17.208 6.144 1.00 0.43 C ATOM 2128 OG SER A 136 -4.941 -17.526 6.795 1.00 0.68 O ATOM 0 H SER A 136 -4.226 -15.263 7.573 1.00 0.30 H new ATOM 0 HA SER A 136 -2.418 -17.432 7.843 1.00 0.34 H new ATOM 0 HB2 SER A 136 -3.902 -16.480 5.354 1.00 0.43 H new ATOM 0 HB3 SER A 136 -3.313 -18.100 5.668 1.00 0.43 H new ATOM 0 HG SER A 136 -5.442 -16.702 6.971 1.00 0.68 H new ATOM 2134 N TYR A 137 -1.442 -14.936 5.969 1.00 0.27 N ATOM 2135 CA TYR A 137 -0.295 -14.367 5.267 1.00 0.26 C ATOM 2136 C TYR A 137 0.792 -13.942 6.252 1.00 0.25 C ATOM 2137 O TYR A 137 1.964 -13.837 5.890 1.00 0.38 O ATOM 2138 CB TYR A 137 -0.729 -13.158 4.435 1.00 0.30 C ATOM 2139 CG TYR A 137 -1.444 -13.498 3.143 1.00 0.38 C ATOM 2140 CD1 TYR A 137 -1.561 -14.810 2.700 1.00 0.66 C ATOM 2141 CD2 TYR A 137 -1.997 -12.493 2.362 1.00 0.54 C ATOM 2142 CE1 TYR A 137 -2.205 -15.111 1.518 1.00 0.74 C ATOM 2143 CE2 TYR A 137 -2.646 -12.785 1.178 1.00 0.65 C ATOM 2144 CZ TYR A 137 -2.745 -14.096 0.761 1.00 0.63 C ATOM 2145 OH TYR A 137 -3.384 -14.391 -0.424 1.00 0.77 O ATOM 0 H TYR A 137 -2.230 -14.297 6.074 1.00 0.27 H new ATOM 0 HA TYR A 137 0.110 -15.135 4.608 1.00 0.26 H new ATOM 0 HB2 TYR A 137 -1.384 -12.533 5.042 1.00 0.30 H new ATOM 0 HB3 TYR A 137 0.152 -12.562 4.200 1.00 0.30 H new ATOM 0 HD1 TYR A 137 -1.140 -15.609 3.292 1.00 0.66 H new ATOM 0 HD2 TYR A 137 -1.919 -11.465 2.685 1.00 0.54 H new ATOM 0 HE1 TYR A 137 -2.285 -16.136 1.189 1.00 0.74 H new ATOM 0 HE2 TYR A 137 -3.073 -11.992 0.583 1.00 0.65 H new ATOM 0 HH TYR A 137 -4.315 -14.089 -0.378 1.00 0.77 H new ATOM 2155 N GLY A 138 0.394 -13.709 7.495 1.00 0.24 N ATOM 2156 CA GLY A 138 1.336 -13.283 8.511 1.00 0.23 C ATOM 2157 C GLY A 138 1.545 -11.779 8.479 1.00 0.21 C ATOM 2158 O GLY A 138 2.597 -11.276 8.880 1.00 0.25 O ATOM 0 H GLY A 138 -0.568 -13.808 7.819 1.00 0.24 H new ATOM 0 HA2 GLY A 138 0.972 -13.580 9.494 1.00 0.23 H new ATOM 0 HA3 GLY A 138 2.290 -13.788 8.359 1.00 0.23 H new ATOM 2162 N ILE A 139 0.533 -11.064 8.000 1.00 0.19 N ATOM 2163 CA ILE A 139 0.586 -9.614 7.894 1.00 0.20 C ATOM 2164 C ILE A 139 -0.589 -8.990 8.643 1.00 0.19 C ATOM 2165 O ILE A 139 -1.601 -9.646 8.867 1.00 0.22 O ATOM 2166 CB ILE A 139 0.557 -9.151 6.418 1.00 0.23 C ATOM 2167 CG1 ILE A 139 -0.723 -9.632 5.725 1.00 0.26 C ATOM 2168 CG2 ILE A 139 1.790 -9.656 5.676 1.00 0.28 C ATOM 2169 CD1 ILE A 139 -0.996 -8.933 4.409 1.00 0.51 C ATOM 0 H ILE A 139 -0.343 -11.473 7.676 1.00 0.19 H new ATOM 0 HA ILE A 139 1.525 -9.285 8.339 1.00 0.20 H new ATOM 0 HB ILE A 139 0.566 -8.061 6.400 1.00 0.23 H new ATOM 0 HG12 ILE A 139 -0.650 -10.705 5.549 1.00 0.26 H new ATOM 0 HG13 ILE A 139 -1.570 -9.475 6.393 1.00 0.26 H new ATOM 0 HG21 ILE A 139 1.753 -9.321 4.639 1.00 0.28 H new ATOM 0 HG22 ILE A 139 2.688 -9.263 6.153 1.00 0.28 H new ATOM 0 HG23 ILE A 139 1.811 -10.745 5.705 1.00 0.28 H new ATOM 0 HD11 ILE A 139 -1.916 -9.323 3.974 1.00 0.51 H new ATOM 0 HD12 ILE A 139 -1.101 -7.862 4.581 1.00 0.51 H new ATOM 0 HD13 ILE A 139 -0.167 -9.111 3.724 1.00 0.51 H new ATOM 2181 N PRO A 140 -0.465 -7.731 9.071 1.00 0.17 N ATOM 2182 CA PRO A 140 -1.531 -7.049 9.794 1.00 0.19 C ATOM 2183 C PRO A 140 -2.568 -6.415 8.865 1.00 0.16 C ATOM 2184 O PRO A 140 -2.272 -6.091 7.713 1.00 0.19 O ATOM 2185 CB PRO A 140 -0.777 -5.974 10.562 1.00 0.24 C ATOM 2186 CG PRO A 140 0.403 -5.642 9.711 1.00 0.36 C ATOM 2187 CD PRO A 140 0.727 -6.878 8.910 1.00 0.20 C ATOM 0 HA PRO A 140 -2.105 -7.732 10.420 1.00 0.19 H new ATOM 0 HB2 PRO A 140 -1.402 -5.097 10.728 1.00 0.24 H new ATOM 0 HB3 PRO A 140 -0.467 -6.335 11.543 1.00 0.24 H new ATOM 0 HG2 PRO A 140 0.180 -4.802 9.052 1.00 0.36 H new ATOM 0 HG3 PRO A 140 1.253 -5.347 10.327 1.00 0.36 H new ATOM 0 HD2 PRO A 140 0.908 -6.638 7.862 1.00 0.20 H new ATOM 0 HD3 PRO A 140 1.624 -7.372 9.283 1.00 0.20 H new ATOM 2195 N PHE A 141 -3.779 -6.239 9.381 1.00 0.19 N ATOM 2196 CA PHE A 141 -4.866 -5.640 8.614 1.00 0.19 C ATOM 2197 C PHE A 141 -5.545 -4.534 9.420 1.00 0.19 C ATOM 2198 O PHE A 141 -5.959 -4.740 10.561 1.00 0.23 O ATOM 2199 CB PHE A 141 -5.896 -6.705 8.202 1.00 0.25 C ATOM 2200 CG PHE A 141 -7.235 -6.141 7.790 1.00 0.27 C ATOM 2201 CD1 PHE A 141 -7.354 -5.335 6.667 1.00 0.27 C ATOM 2202 CD2 PHE A 141 -8.375 -6.411 8.536 1.00 0.34 C ATOM 2203 CE1 PHE A 141 -8.577 -4.811 6.300 1.00 0.31 C ATOM 2204 CE2 PHE A 141 -9.600 -5.888 8.168 1.00 0.38 C ATOM 2205 CZ PHE A 141 -9.699 -5.086 7.050 1.00 0.35 C ATOM 0 H PHE A 141 -4.034 -6.504 10.332 1.00 0.19 H new ATOM 0 HA PHE A 141 -4.441 -5.204 7.710 1.00 0.19 H new ATOM 0 HB2 PHE A 141 -5.489 -7.288 7.375 1.00 0.25 H new ATOM 0 HB3 PHE A 141 -6.044 -7.393 9.034 1.00 0.25 H new ATOM 0 HD1 PHE A 141 -6.479 -5.115 6.073 1.00 0.27 H new ATOM 0 HD2 PHE A 141 -8.303 -7.037 9.413 1.00 0.34 H new ATOM 0 HE1 PHE A 141 -8.654 -4.185 5.424 1.00 0.31 H new ATOM 0 HE2 PHE A 141 -10.479 -6.107 8.755 1.00 0.38 H new ATOM 0 HZ PHE A 141 -10.655 -4.674 6.763 1.00 0.35 H new ATOM 2215 N ILE A 142 -5.649 -3.360 8.824 1.00 0.18 N ATOM 2216 CA ILE A 142 -6.282 -2.224 9.471 1.00 0.21 C ATOM 2217 C ILE A 142 -7.306 -1.590 8.531 1.00 0.19 C ATOM 2218 O ILE A 142 -7.072 -1.500 7.326 1.00 0.20 O ATOM 2219 CB ILE A 142 -5.244 -1.146 9.882 1.00 0.28 C ATOM 2220 CG1 ILE A 142 -4.054 -1.770 10.624 1.00 0.38 C ATOM 2221 CG2 ILE A 142 -5.896 -0.079 10.749 1.00 0.40 C ATOM 2222 CD1 ILE A 142 -2.860 -0.844 10.743 1.00 0.54 C ATOM 0 H ILE A 142 -5.300 -3.167 7.885 1.00 0.18 H new ATOM 0 HA ILE A 142 -6.773 -2.594 10.371 1.00 0.21 H new ATOM 0 HB ILE A 142 -4.871 -0.683 8.969 1.00 0.28 H new ATOM 0 HG12 ILE A 142 -4.374 -2.066 11.623 1.00 0.38 H new ATOM 0 HG13 ILE A 142 -3.748 -2.678 10.105 1.00 0.38 H new ATOM 0 HG21 ILE A 142 -5.153 0.668 11.027 1.00 0.40 H new ATOM 0 HG22 ILE A 142 -6.701 0.400 10.192 1.00 0.40 H new ATOM 0 HG23 ILE A 142 -6.302 -0.540 11.650 1.00 0.40 H new ATOM 0 HD11 ILE A 142 -2.058 -1.352 11.278 1.00 0.54 H new ATOM 0 HD12 ILE A 142 -2.513 -0.567 9.747 1.00 0.54 H new ATOM 0 HD13 ILE A 142 -3.149 0.054 11.289 1.00 0.54 H new ATOM 2234 N GLU A 143 -8.449 -1.196 9.074 1.00 0.22 N ATOM 2235 CA GLU A 143 -9.479 -0.542 8.278 1.00 0.21 C ATOM 2236 C GLU A 143 -9.074 0.909 8.073 1.00 0.21 C ATOM 2237 O GLU A 143 -8.591 1.553 9.006 1.00 0.27 O ATOM 2238 CB GLU A 143 -10.838 -0.642 8.965 1.00 0.28 C ATOM 2239 CG GLU A 143 -11.352 -2.068 9.061 1.00 0.34 C ATOM 2240 CD GLU A 143 -12.839 -2.132 9.309 1.00 0.54 C ATOM 2241 OE1 GLU A 143 -13.274 -1.821 10.439 1.00 0.87 O ATOM 2242 OE2 GLU A 143 -13.583 -2.490 8.377 1.00 0.88 O ATOM 0 H GLU A 143 -8.687 -1.317 10.059 1.00 0.22 H new ATOM 0 HA GLU A 143 -9.572 -1.036 7.311 1.00 0.21 H new ATOM 0 HB2 GLU A 143 -10.764 -0.220 9.967 1.00 0.28 H new ATOM 0 HB3 GLU A 143 -11.561 -0.037 8.417 1.00 0.28 H new ATOM 0 HG2 GLU A 143 -11.118 -2.598 8.138 1.00 0.34 H new ATOM 0 HG3 GLU A 143 -10.830 -2.585 9.866 1.00 0.34 H new ATOM 2249 N THR A 144 -9.258 1.425 6.867 1.00 0.24 N ATOM 2250 CA THR A 144 -8.833 2.783 6.568 1.00 0.27 C ATOM 2251 C THR A 144 -9.832 3.560 5.712 1.00 0.26 C ATOM 2252 O THR A 144 -10.710 2.989 5.065 1.00 0.28 O ATOM 2253 CB THR A 144 -7.490 2.754 5.818 1.00 0.36 C ATOM 2254 OG1 THR A 144 -7.569 1.819 4.736 1.00 0.43 O ATOM 2255 CG2 THR A 144 -6.349 2.358 6.738 1.00 0.36 C ATOM 0 H THR A 144 -9.693 0.931 6.088 1.00 0.24 H new ATOM 0 HA THR A 144 -8.749 3.290 7.529 1.00 0.27 H new ATOM 0 HB THR A 144 -7.292 3.757 5.439 1.00 0.36 H new ATOM 0 HG1 THR A 144 -6.780 1.914 4.163 1.00 0.43 H new ATOM 0 HG21 THR A 144 -5.415 2.348 6.176 1.00 0.36 H new ATOM 0 HG22 THR A 144 -6.273 3.077 7.554 1.00 0.36 H new ATOM 0 HG23 THR A 144 -6.538 1.365 7.146 1.00 0.36 H new ATOM 2263 N SER A 145 -9.673 4.872 5.732 1.00 0.25 N ATOM 2264 CA SER A 145 -10.485 5.778 4.945 1.00 0.26 C ATOM 2265 C SER A 145 -9.695 7.056 4.710 1.00 0.26 C ATOM 2266 O SER A 145 -9.334 7.751 5.665 1.00 0.30 O ATOM 2267 CB SER A 145 -11.817 6.102 5.631 1.00 0.27 C ATOM 2268 OG SER A 145 -12.541 7.080 4.892 1.00 0.33 O ATOM 0 H SER A 145 -8.969 5.341 6.302 1.00 0.25 H new ATOM 0 HA SER A 145 -10.724 5.295 3.998 1.00 0.26 H new ATOM 0 HB2 SER A 145 -12.414 5.195 5.724 1.00 0.27 H new ATOM 0 HB3 SER A 145 -11.632 6.467 6.641 1.00 0.27 H new ATOM 0 HG SER A 145 -13.424 6.726 4.659 1.00 0.33 H new ATOM 2274 N ALA A 146 -9.402 7.350 3.451 1.00 0.33 N ATOM 2275 CA ALA A 146 -8.642 8.543 3.099 1.00 0.34 C ATOM 2276 C ALA A 146 -9.487 9.806 3.241 1.00 0.29 C ATOM 2277 O ALA A 146 -8.970 10.922 3.202 1.00 0.32 O ATOM 2278 CB ALA A 146 -8.118 8.417 1.676 1.00 0.45 C ATOM 0 H ALA A 146 -9.680 6.778 2.654 1.00 0.33 H new ATOM 0 HA ALA A 146 -7.803 8.628 3.789 1.00 0.34 H new ATOM 0 HB1 ALA A 146 -7.551 9.311 1.417 1.00 0.45 H new ATOM 0 HB2 ALA A 146 -7.471 7.543 1.602 1.00 0.45 H new ATOM 0 HB3 ALA A 146 -8.956 8.307 0.988 1.00 0.45 H new ATOM 2284 N LYS A 147 -10.786 9.625 3.419 1.00 0.33 N ATOM 2285 CA LYS A 147 -11.699 10.746 3.549 1.00 0.40 C ATOM 2286 C LYS A 147 -11.753 11.259 4.989 1.00 0.40 C ATOM 2287 O LYS A 147 -11.746 12.467 5.226 1.00 0.52 O ATOM 2288 CB LYS A 147 -13.086 10.324 3.078 1.00 0.50 C ATOM 2289 CG LYS A 147 -14.043 11.481 2.860 1.00 0.75 C ATOM 2290 CD LYS A 147 -15.361 10.990 2.286 1.00 1.10 C ATOM 2291 CE LYS A 147 -16.392 12.107 2.196 1.00 1.04 C ATOM 2292 NZ LYS A 147 -17.763 11.582 1.950 1.00 1.32 N ATOM 0 H LYS A 147 -11.231 8.709 3.477 1.00 0.33 H new ATOM 0 HA LYS A 147 -11.336 11.564 2.927 1.00 0.40 H new ATOM 0 HB2 LYS A 147 -12.988 9.767 2.146 1.00 0.50 H new ATOM 0 HB3 LYS A 147 -13.516 9.644 3.813 1.00 0.50 H new ATOM 0 HG2 LYS A 147 -14.221 11.994 3.805 1.00 0.75 H new ATOM 0 HG3 LYS A 147 -13.594 12.207 2.182 1.00 0.75 H new ATOM 0 HD2 LYS A 147 -15.192 10.572 1.294 1.00 1.10 H new ATOM 0 HD3 LYS A 147 -15.751 10.185 2.909 1.00 1.10 H new ATOM 0 HE2 LYS A 147 -16.385 12.682 3.122 1.00 1.04 H new ATOM 0 HE3 LYS A 147 -16.116 12.791 1.393 1.00 1.04 H new ATOM 0 HZ1 LYS A 147 -18.434 12.375 1.896 1.00 1.32 H new ATOM 0 HZ2 LYS A 147 -17.777 11.054 1.054 1.00 1.32 H new ATOM 0 HZ3 LYS A 147 -18.037 10.949 2.728 1.00 1.32 H new ATOM 2306 N THR A 148 -11.802 10.346 5.943 1.00 0.37 N ATOM 2307 CA THR A 148 -11.858 10.713 7.352 1.00 0.41 C ATOM 2308 C THR A 148 -10.475 10.684 7.993 1.00 0.42 C ATOM 2309 O THR A 148 -10.319 11.052 9.160 1.00 0.49 O ATOM 2310 CB THR A 148 -12.774 9.754 8.127 1.00 0.43 C ATOM 2311 OG1 THR A 148 -12.510 8.413 7.703 1.00 0.40 O ATOM 2312 CG2 THR A 148 -14.239 10.094 7.906 1.00 0.52 C ATOM 0 H THR A 148 -11.804 9.341 5.769 1.00 0.37 H new ATOM 0 HA THR A 148 -12.254 11.728 7.400 1.00 0.41 H new ATOM 0 HB THR A 148 -12.568 9.854 9.193 1.00 0.43 H new ATOM 0 HG1 THR A 148 -13.090 7.794 8.194 1.00 0.40 H new ATOM 0 HG21 THR A 148 -14.863 9.398 8.467 1.00 0.52 H new ATOM 0 HG22 THR A 148 -14.432 11.111 8.248 1.00 0.52 H new ATOM 0 HG23 THR A 148 -14.474 10.017 6.844 1.00 0.52 H new ATOM 2320 N ARG A 149 -9.480 10.229 7.226 1.00 0.39 N ATOM 2321 CA ARG A 149 -8.105 10.130 7.716 1.00 0.46 C ATOM 2322 C ARG A 149 -8.052 9.200 8.926 1.00 0.48 C ATOM 2323 O ARG A 149 -7.466 9.520 9.961 1.00 0.66 O ATOM 2324 CB ARG A 149 -7.559 11.525 8.065 1.00 0.54 C ATOM 2325 CG ARG A 149 -6.064 11.566 8.352 1.00 0.98 C ATOM 2326 CD ARG A 149 -5.572 12.997 8.499 1.00 0.93 C ATOM 2327 NE ARG A 149 -4.138 13.073 8.788 1.00 1.19 N ATOM 2328 CZ ARG A 149 -3.215 13.448 7.897 1.00 1.06 C ATOM 2329 NH1 ARG A 149 -3.570 13.771 6.655 1.00 1.53 N ATOM 2330 NH2 ARG A 149 -1.934 13.495 8.247 1.00 1.39 N ATOM 0 H ARG A 149 -9.603 9.923 6.261 1.00 0.39 H new ATOM 0 HA ARG A 149 -7.475 9.711 6.932 1.00 0.46 H new ATOM 0 HB2 ARG A 149 -7.776 12.203 7.239 1.00 0.54 H new ATOM 0 HB3 ARG A 149 -8.094 11.903 8.937 1.00 0.54 H new ATOM 0 HG2 ARG A 149 -5.851 11.010 9.265 1.00 0.98 H new ATOM 0 HG3 ARG A 149 -5.522 11.073 7.545 1.00 0.98 H new ATOM 0 HD2 ARG A 149 -5.783 13.546 7.581 1.00 0.93 H new ATOM 0 HD3 ARG A 149 -6.127 13.488 9.299 1.00 0.93 H new ATOM 0 HE ARG A 149 -3.825 12.825 9.726 1.00 1.19 H new ATOM 0 HH11 ARG A 149 -4.551 13.733 6.379 1.00 1.53 H new ATOM 0 HH12 ARG A 149 -2.861 14.056 5.980 1.00 1.53 H new ATOM 0 HH21 ARG A 149 -1.655 13.245 9.196 1.00 1.39 H new ATOM 0 HH22 ARG A 149 -1.230 13.781 7.567 1.00 1.39 H new ATOM 2344 N GLN A 150 -8.684 8.047 8.787 1.00 0.40 N ATOM 2345 CA GLN A 150 -8.732 7.067 9.859 1.00 0.42 C ATOM 2346 C GLN A 150 -7.959 5.808 9.488 1.00 0.42 C ATOM 2347 O GLN A 150 -8.190 5.215 8.434 1.00 0.51 O ATOM 2348 CB GLN A 150 -10.188 6.714 10.163 1.00 0.48 C ATOM 2349 CG GLN A 150 -10.358 5.540 11.118 1.00 0.52 C ATOM 2350 CD GLN A 150 -11.764 4.968 11.108 1.00 0.69 C ATOM 2351 OE1 GLN A 150 -12.752 5.702 11.068 1.00 0.87 O ATOM 2352 NE2 GLN A 150 -11.857 3.648 11.122 1.00 0.87 N ATOM 0 H GLN A 150 -9.173 7.766 7.938 1.00 0.40 H new ATOM 0 HA GLN A 150 -8.266 7.500 10.744 1.00 0.42 H new ATOM 0 HB2 GLN A 150 -10.681 7.588 10.588 1.00 0.48 H new ATOM 0 HB3 GLN A 150 -10.698 6.484 9.227 1.00 0.48 H new ATOM 0 HG2 GLN A 150 -9.650 4.755 10.850 1.00 0.52 H new ATOM 0 HG3 GLN A 150 -10.110 5.862 12.129 1.00 0.52 H new ATOM 0 HE21 GLN A 150 -11.012 3.078 11.155 1.00 0.87 H new ATOM 0 HE22 GLN A 150 -12.774 3.201 11.099 1.00 0.87 H new ATOM 2361 N GLY A 151 -7.018 5.431 10.350 1.00 0.42 N ATOM 2362 CA GLY A 151 -6.229 4.233 10.138 1.00 0.51 C ATOM 2363 C GLY A 151 -5.112 4.421 9.130 1.00 0.45 C ATOM 2364 O GLY A 151 -4.144 3.668 9.133 1.00 0.42 O ATOM 0 H GLY A 151 -6.787 5.943 11.202 1.00 0.42 H new ATOM 0 HA2 GLY A 151 -5.801 3.915 11.089 1.00 0.51 H new ATOM 0 HA3 GLY A 151 -6.884 3.430 9.799 1.00 0.51 H new ATOM 2368 N VAL A 152 -5.248 5.421 8.270 1.00 0.49 N ATOM 2369 CA VAL A 152 -4.254 5.702 7.239 1.00 0.50 C ATOM 2370 C VAL A 152 -2.876 5.967 7.842 1.00 0.39 C ATOM 2371 O VAL A 152 -1.871 5.413 7.389 1.00 0.41 O ATOM 2372 CB VAL A 152 -4.678 6.911 6.381 1.00 0.61 C ATOM 2373 CG1 VAL A 152 -3.658 7.199 5.289 1.00 0.74 C ATOM 2374 CG2 VAL A 152 -6.050 6.666 5.777 1.00 0.67 C ATOM 0 H VAL A 152 -6.045 6.058 8.265 1.00 0.49 H new ATOM 0 HA VAL A 152 -4.192 4.816 6.608 1.00 0.50 H new ATOM 0 HB VAL A 152 -4.727 7.787 7.028 1.00 0.61 H new ATOM 0 HG11 VAL A 152 -3.986 8.057 4.702 1.00 0.74 H new ATOM 0 HG12 VAL A 152 -2.691 7.418 5.743 1.00 0.74 H new ATOM 0 HG13 VAL A 152 -3.565 6.329 4.639 1.00 0.74 H new ATOM 0 HG21 VAL A 152 -6.340 7.526 5.173 1.00 0.67 H new ATOM 0 HG22 VAL A 152 -6.017 5.776 5.149 1.00 0.67 H new ATOM 0 HG23 VAL A 152 -6.778 6.521 6.575 1.00 0.67 H new ATOM 2384 N ASP A 153 -2.841 6.798 8.877 1.00 0.37 N ATOM 2385 CA ASP A 153 -1.590 7.139 9.544 1.00 0.38 C ATOM 2386 C ASP A 153 -0.960 5.889 10.146 1.00 0.32 C ATOM 2387 O ASP A 153 0.215 5.602 9.926 1.00 0.33 O ATOM 2388 CB ASP A 153 -1.837 8.177 10.641 1.00 0.51 C ATOM 2389 CG ASP A 153 -0.549 8.699 11.244 1.00 0.87 C ATOM 2390 OD1 ASP A 153 -0.114 8.166 12.289 1.00 1.62 O ATOM 2391 OD2 ASP A 153 0.024 9.656 10.678 1.00 1.24 O ATOM 0 H ASP A 153 -3.666 7.249 9.273 1.00 0.37 H new ATOM 0 HA ASP A 153 -0.908 7.562 8.807 1.00 0.38 H new ATOM 0 HB2 ASP A 153 -2.405 9.010 10.227 1.00 0.51 H new ATOM 0 HB3 ASP A 153 -2.449 7.733 11.426 1.00 0.51 H new ATOM 2396 N ASP A 154 -1.764 5.129 10.879 1.00 0.31 N ATOM 2397 CA ASP A 154 -1.298 3.900 11.515 1.00 0.32 C ATOM 2398 C ASP A 154 -0.796 2.900 10.481 1.00 0.31 C ATOM 2399 O ASP A 154 0.207 2.226 10.697 1.00 0.34 O ATOM 2400 CB ASP A 154 -2.417 3.266 12.341 1.00 0.38 C ATOM 2401 CG ASP A 154 -2.048 3.139 13.804 1.00 0.71 C ATOM 2402 OD1 ASP A 154 -2.884 3.495 14.666 1.00 0.99 O ATOM 2403 OD2 ASP A 154 -0.920 2.688 14.104 1.00 1.00 O ATOM 0 H ASP A 154 -2.747 5.342 11.049 1.00 0.31 H new ATOM 0 HA ASP A 154 -0.470 4.163 12.173 1.00 0.32 H new ATOM 0 HB2 ASP A 154 -3.321 3.868 12.247 1.00 0.38 H new ATOM 0 HB3 ASP A 154 -2.648 2.279 11.940 1.00 0.38 H new ATOM 2408 N ALA A 155 -1.490 2.825 9.353 1.00 0.30 N ATOM 2409 CA ALA A 155 -1.123 1.906 8.281 1.00 0.32 C ATOM 2410 C ALA A 155 0.290 2.164 7.768 1.00 0.29 C ATOM 2411 O ALA A 155 1.108 1.245 7.700 1.00 0.31 O ATOM 2412 CB ALA A 155 -2.114 2.012 7.140 1.00 0.37 C ATOM 0 H ALA A 155 -2.314 3.392 9.155 1.00 0.30 H new ATOM 0 HA ALA A 155 -1.147 0.897 8.693 1.00 0.32 H new ATOM 0 HB1 ALA A 155 -1.830 1.322 6.346 1.00 0.37 H new ATOM 0 HB2 ALA A 155 -3.112 1.760 7.500 1.00 0.37 H new ATOM 0 HB3 ALA A 155 -2.115 3.031 6.752 1.00 0.37 H new ATOM 2418 N PHE A 156 0.577 3.413 7.415 1.00 0.28 N ATOM 2419 CA PHE A 156 1.895 3.775 6.899 1.00 0.30 C ATOM 2420 C PHE A 156 2.990 3.534 7.937 1.00 0.29 C ATOM 2421 O PHE A 156 4.066 3.031 7.608 1.00 0.33 O ATOM 2422 CB PHE A 156 1.910 5.235 6.442 1.00 0.36 C ATOM 2423 CG PHE A 156 1.226 5.448 5.124 1.00 0.55 C ATOM 2424 CD1 PHE A 156 1.744 4.894 3.970 1.00 1.21 C ATOM 2425 CD2 PHE A 156 0.062 6.195 5.040 1.00 0.92 C ATOM 2426 CE1 PHE A 156 1.115 5.078 2.752 1.00 1.46 C ATOM 2427 CE2 PHE A 156 -0.571 6.383 3.829 1.00 1.05 C ATOM 2428 CZ PHE A 156 -0.045 5.822 2.684 1.00 1.11 C ATOM 0 H PHE A 156 -0.082 4.190 7.476 1.00 0.28 H new ATOM 0 HA PHE A 156 2.100 3.134 6.042 1.00 0.30 H new ATOM 0 HB2 PHE A 156 1.425 5.851 7.199 1.00 0.36 H new ATOM 0 HB3 PHE A 156 2.943 5.575 6.367 1.00 0.36 H new ATOM 0 HD1 PHE A 156 2.651 4.310 4.019 1.00 1.21 H new ATOM 0 HD2 PHE A 156 -0.355 6.635 5.934 1.00 0.92 H new ATOM 0 HE1 PHE A 156 1.531 4.640 1.856 1.00 1.46 H new ATOM 0 HE2 PHE A 156 -1.477 6.969 3.777 1.00 1.05 H new ATOM 0 HZ PHE A 156 -0.541 5.965 1.735 1.00 1.11 H new ATOM 2438 N TYR A 157 2.714 3.881 9.190 1.00 0.29 N ATOM 2439 CA TYR A 157 3.684 3.696 10.265 1.00 0.34 C ATOM 2440 C TYR A 157 3.928 2.211 10.526 1.00 0.32 C ATOM 2441 O TYR A 157 5.044 1.802 10.848 1.00 0.35 O ATOM 2442 CB TYR A 157 3.213 4.396 11.542 1.00 0.43 C ATOM 2443 CG TYR A 157 3.529 5.879 11.573 1.00 0.47 C ATOM 2444 CD1 TYR A 157 4.595 6.368 12.318 1.00 0.86 C ATOM 2445 CD2 TYR A 157 2.761 6.785 10.853 1.00 0.88 C ATOM 2446 CE1 TYR A 157 4.883 7.722 12.345 1.00 0.98 C ATOM 2447 CE2 TYR A 157 3.042 8.136 10.874 1.00 0.98 C ATOM 2448 CZ TYR A 157 4.103 8.601 11.621 1.00 0.79 C ATOM 2449 OH TYR A 157 4.382 9.950 11.645 1.00 0.99 O ATOM 0 H TYR A 157 1.828 4.291 9.486 1.00 0.29 H new ATOM 0 HA TYR A 157 4.626 4.146 9.953 1.00 0.34 H new ATOM 0 HB2 TYR A 157 2.136 4.260 11.645 1.00 0.43 H new ATOM 0 HB3 TYR A 157 3.679 3.916 12.403 1.00 0.43 H new ATOM 0 HD1 TYR A 157 5.208 5.682 12.884 1.00 0.86 H new ATOM 0 HD2 TYR A 157 1.929 6.426 10.266 1.00 0.88 H new ATOM 0 HE1 TYR A 157 5.714 8.089 12.930 1.00 0.98 H new ATOM 0 HE2 TYR A 157 2.433 8.826 10.308 1.00 0.98 H new ATOM 0 HH TYR A 157 3.738 10.427 11.081 1.00 0.99 H new ATOM 2459 N THR A 158 2.886 1.409 10.372 1.00 0.29 N ATOM 2460 CA THR A 158 2.987 -0.026 10.580 1.00 0.28 C ATOM 2461 C THR A 158 3.847 -0.674 9.499 1.00 0.25 C ATOM 2462 O THR A 158 4.723 -1.487 9.798 1.00 0.29 O ATOM 2463 CB THR A 158 1.597 -0.692 10.582 1.00 0.29 C ATOM 2464 OG1 THR A 158 0.799 -0.167 11.651 1.00 0.30 O ATOM 2465 CG2 THR A 158 1.711 -2.204 10.727 1.00 0.34 C ATOM 0 H THR A 158 1.956 1.730 10.102 1.00 0.29 H new ATOM 0 HA THR A 158 3.454 -0.175 11.554 1.00 0.28 H new ATOM 0 HB THR A 158 1.119 -0.471 9.627 1.00 0.29 H new ATOM 0 HG1 THR A 158 0.666 0.795 11.518 1.00 0.30 H new ATOM 0 HG21 THR A 158 0.715 -2.646 10.725 1.00 0.34 H new ATOM 0 HG22 THR A 158 2.288 -2.607 9.895 1.00 0.34 H new ATOM 0 HG23 THR A 158 2.212 -2.443 11.665 1.00 0.34 H new ATOM 2473 N LEU A 159 3.604 -0.297 8.245 1.00 0.23 N ATOM 2474 CA LEU A 159 4.351 -0.847 7.122 1.00 0.23 C ATOM 2475 C LEU A 159 5.853 -0.640 7.308 1.00 0.22 C ATOM 2476 O LEU A 159 6.645 -1.546 7.059 1.00 0.21 O ATOM 2477 CB LEU A 159 3.882 -0.207 5.809 1.00 0.25 C ATOM 2478 CG LEU A 159 4.462 -0.828 4.535 1.00 0.28 C ATOM 2479 CD1 LEU A 159 4.159 -2.317 4.468 1.00 0.40 C ATOM 2480 CD2 LEU A 159 3.914 -0.124 3.304 1.00 0.42 C ATOM 0 H LEU A 159 2.895 0.388 7.984 1.00 0.23 H new ATOM 0 HA LEU A 159 4.161 -1.919 7.079 1.00 0.23 H new ATOM 0 HB2 LEU A 159 2.795 -0.269 5.762 1.00 0.25 H new ATOM 0 HB3 LEU A 159 4.140 0.852 5.827 1.00 0.25 H new ATOM 0 HG LEU A 159 5.544 -0.701 4.560 1.00 0.28 H new ATOM 0 HD11 LEU A 159 4.582 -2.734 3.554 1.00 0.40 H new ATOM 0 HD12 LEU A 159 4.598 -2.817 5.331 1.00 0.40 H new ATOM 0 HD13 LEU A 159 3.080 -2.469 4.471 1.00 0.40 H new ATOM 0 HD21 LEU A 159 4.336 -0.578 2.407 1.00 0.42 H new ATOM 0 HD22 LEU A 159 2.828 -0.220 3.283 1.00 0.42 H new ATOM 0 HD23 LEU A 159 4.184 0.932 3.338 1.00 0.42 H new ATOM 2492 N VAL A 160 6.229 0.538 7.778 1.00 0.26 N ATOM 2493 CA VAL A 160 7.633 0.856 8.001 1.00 0.29 C ATOM 2494 C VAL A 160 8.239 -0.064 9.062 1.00 0.27 C ATOM 2495 O VAL A 160 9.347 -0.577 8.897 1.00 0.28 O ATOM 2496 CB VAL A 160 7.817 2.325 8.430 1.00 0.37 C ATOM 2497 CG1 VAL A 160 9.277 2.616 8.739 1.00 0.55 C ATOM 2498 CG2 VAL A 160 7.305 3.267 7.357 1.00 0.34 C ATOM 0 H VAL A 160 5.583 1.291 8.013 1.00 0.26 H new ATOM 0 HA VAL A 160 8.151 0.702 7.054 1.00 0.29 H new ATOM 0 HB VAL A 160 7.234 2.488 9.336 1.00 0.37 H new ATOM 0 HG11 VAL A 160 9.385 3.658 9.040 1.00 0.55 H new ATOM 0 HG12 VAL A 160 9.614 1.968 9.548 1.00 0.55 H new ATOM 0 HG13 VAL A 160 9.881 2.431 7.851 1.00 0.55 H new ATOM 0 HG21 VAL A 160 7.445 4.298 7.681 1.00 0.34 H new ATOM 0 HG22 VAL A 160 7.857 3.099 6.432 1.00 0.34 H new ATOM 0 HG23 VAL A 160 6.245 3.081 7.186 1.00 0.34 H new ATOM 2508 N ARG A 161 7.501 -0.287 10.142 1.00 0.26 N ATOM 2509 CA ARG A 161 7.975 -1.144 11.225 1.00 0.28 C ATOM 2510 C ARG A 161 8.125 -2.586 10.755 1.00 0.23 C ATOM 2511 O ARG A 161 9.022 -3.302 11.198 1.00 0.23 O ATOM 2512 CB ARG A 161 7.035 -1.067 12.423 1.00 0.37 C ATOM 2513 CG ARG A 161 6.978 0.319 13.038 1.00 0.51 C ATOM 2514 CD ARG A 161 6.627 0.274 14.516 1.00 0.61 C ATOM 2515 NE ARG A 161 6.808 1.578 15.159 1.00 0.64 N ATOM 2516 CZ ARG A 161 5.827 2.457 15.375 1.00 0.76 C ATOM 2517 NH1 ARG A 161 4.581 2.184 15.002 1.00 0.82 N ATOM 2518 NH2 ARG A 161 6.097 3.620 15.957 1.00 0.90 N ATOM 0 H ARG A 161 6.574 0.112 10.293 1.00 0.26 H new ATOM 0 HA ARG A 161 8.957 -0.784 11.533 1.00 0.28 H new ATOM 0 HB2 ARG A 161 6.033 -1.363 12.112 1.00 0.37 H new ATOM 0 HB3 ARG A 161 7.359 -1.782 13.179 1.00 0.37 H new ATOM 0 HG2 ARG A 161 7.941 0.812 12.909 1.00 0.51 H new ATOM 0 HG3 ARG A 161 6.239 0.920 12.508 1.00 0.51 H new ATOM 0 HD2 ARG A 161 5.593 -0.049 14.634 1.00 0.61 H new ATOM 0 HD3 ARG A 161 7.251 -0.467 15.015 1.00 0.61 H new ATOM 0 HE ARG A 161 7.748 1.832 15.462 1.00 0.64 H new ATOM 0 HH11 ARG A 161 4.368 1.297 14.547 1.00 0.82 H new ATOM 0 HH12 ARG A 161 3.838 2.862 15.171 1.00 0.82 H new ATOM 0 HH21 ARG A 161 7.053 3.840 16.238 1.00 0.90 H new ATOM 0 HH22 ARG A 161 5.349 4.293 16.123 1.00 0.90 H new ATOM 2532 N GLU A 162 7.245 -3.008 9.853 1.00 0.22 N ATOM 2533 CA GLU A 162 7.292 -4.362 9.308 1.00 0.22 C ATOM 2534 C GLU A 162 8.585 -4.570 8.520 1.00 0.21 C ATOM 2535 O GLU A 162 9.261 -5.588 8.672 1.00 0.25 O ATOM 2536 CB GLU A 162 6.078 -4.634 8.412 1.00 0.25 C ATOM 2537 CG GLU A 162 4.777 -4.795 9.178 1.00 0.31 C ATOM 2538 CD GLU A 162 4.895 -5.799 10.309 1.00 0.52 C ATOM 2539 OE1 GLU A 162 5.454 -6.898 10.088 1.00 0.73 O ATOM 2540 OE2 GLU A 162 4.437 -5.496 11.434 1.00 0.68 O ATOM 0 H GLU A 162 6.489 -2.432 9.483 1.00 0.22 H new ATOM 0 HA GLU A 162 7.267 -5.065 10.141 1.00 0.22 H new ATOM 0 HB2 GLU A 162 5.972 -3.815 7.701 1.00 0.25 H new ATOM 0 HB3 GLU A 162 6.262 -5.538 7.831 1.00 0.25 H new ATOM 0 HG2 GLU A 162 4.474 -3.829 9.583 1.00 0.31 H new ATOM 0 HG3 GLU A 162 3.992 -5.114 8.493 1.00 0.31 H new ATOM 2547 N ILE A 163 8.934 -3.587 7.693 1.00 0.20 N ATOM 2548 CA ILE A 163 10.151 -3.658 6.892 1.00 0.23 C ATOM 2549 C ILE A 163 11.370 -3.717 7.799 1.00 0.22 C ATOM 2550 O ILE A 163 12.284 -4.517 7.586 1.00 0.22 O ATOM 2551 CB ILE A 163 10.289 -2.447 5.946 1.00 0.29 C ATOM 2552 CG1 ILE A 163 8.990 -2.203 5.177 1.00 0.27 C ATOM 2553 CG2 ILE A 163 11.432 -2.671 4.975 1.00 0.42 C ATOM 2554 CD1 ILE A 163 8.878 -0.805 4.601 1.00 0.31 C ATOM 0 H ILE A 163 8.391 -2.734 7.561 1.00 0.20 H new ATOM 0 HA ILE A 163 10.086 -4.562 6.286 1.00 0.23 H new ATOM 0 HB ILE A 163 10.500 -1.565 6.551 1.00 0.29 H new ATOM 0 HG12 ILE A 163 8.916 -2.928 4.366 1.00 0.27 H new ATOM 0 HG13 ILE A 163 8.145 -2.382 5.842 1.00 0.27 H new ATOM 0 HG21 ILE A 163 11.520 -1.810 4.312 1.00 0.42 H new ATOM 0 HG22 ILE A 163 12.361 -2.798 5.530 1.00 0.42 H new ATOM 0 HG23 ILE A 163 11.237 -3.566 4.384 1.00 0.42 H new ATOM 0 HD11 ILE A 163 7.932 -0.705 4.070 1.00 0.31 H new ATOM 0 HD12 ILE A 163 8.919 -0.074 5.409 1.00 0.31 H new ATOM 0 HD13 ILE A 163 9.702 -0.629 3.910 1.00 0.31 H new ATOM 2566 N ARG A 164 11.357 -2.876 8.827 1.00 0.22 N ATOM 2567 CA ARG A 164 12.450 -2.806 9.789 1.00 0.23 C ATOM 2568 C ARG A 164 12.671 -4.149 10.478 1.00 0.23 C ATOM 2569 O ARG A 164 13.810 -4.584 10.651 1.00 0.25 O ATOM 2570 CB ARG A 164 12.171 -1.726 10.834 1.00 0.26 C ATOM 2571 CG ARG A 164 12.399 -0.311 10.325 1.00 0.33 C ATOM 2572 CD ARG A 164 12.173 0.716 11.422 1.00 0.42 C ATOM 2573 NE ARG A 164 12.707 2.032 11.068 1.00 0.55 N ATOM 2574 CZ ARG A 164 12.485 3.140 11.769 1.00 0.66 C ATOM 2575 NH1 ARG A 164 11.738 3.104 12.861 1.00 0.69 N ATOM 2576 NH2 ARG A 164 13.017 4.287 11.377 1.00 0.87 N ATOM 0 H ARG A 164 10.593 -2.227 9.016 1.00 0.22 H new ATOM 0 HA ARG A 164 13.357 -2.550 9.241 1.00 0.23 H new ATOM 0 HB2 ARG A 164 11.139 -1.819 11.173 1.00 0.26 H new ATOM 0 HB3 ARG A 164 12.809 -1.898 11.701 1.00 0.26 H new ATOM 0 HG2 ARG A 164 13.416 -0.220 9.943 1.00 0.33 H new ATOM 0 HG3 ARG A 164 11.726 -0.110 9.492 1.00 0.33 H new ATOM 0 HD2 ARG A 164 11.105 0.801 11.622 1.00 0.42 H new ATOM 0 HD3 ARG A 164 12.644 0.371 12.343 1.00 0.42 H new ATOM 0 HE ARG A 164 13.286 2.104 10.231 1.00 0.55 H new ATOM 0 HH11 ARG A 164 11.328 2.222 13.170 1.00 0.69 H new ATOM 0 HH12 ARG A 164 11.572 3.958 13.394 1.00 0.69 H new ATOM 0 HH21 ARG A 164 13.596 4.320 10.538 1.00 0.87 H new ATOM 0 HH22 ARG A 164 12.848 5.138 11.914 1.00 0.87 H new ATOM 2590 N LYS A 165 11.579 -4.800 10.857 1.00 0.27 N ATOM 2591 CA LYS A 165 11.647 -6.092 11.530 1.00 0.32 C ATOM 2592 C LYS A 165 12.206 -7.164 10.607 1.00 0.31 C ATOM 2593 O LYS A 165 12.849 -8.110 11.059 1.00 0.33 O ATOM 2594 CB LYS A 165 10.263 -6.502 12.027 1.00 0.43 C ATOM 2595 CG LYS A 165 9.843 -5.796 13.310 1.00 0.87 C ATOM 2596 CD LYS A 165 8.500 -6.299 13.809 1.00 0.97 C ATOM 2597 CE LYS A 165 7.392 -5.992 12.817 1.00 0.74 C ATOM 2598 NZ LYS A 165 6.068 -6.488 13.279 1.00 0.80 N ATOM 0 H LYS A 165 10.631 -4.453 10.709 1.00 0.27 H new ATOM 0 HA LYS A 165 12.319 -5.992 12.382 1.00 0.32 H new ATOM 0 HB2 LYS A 165 9.529 -6.291 11.249 1.00 0.43 H new ATOM 0 HB3 LYS A 165 10.250 -7.579 12.194 1.00 0.43 H new ATOM 0 HG2 LYS A 165 10.600 -5.954 14.078 1.00 0.87 H new ATOM 0 HG3 LYS A 165 9.788 -4.722 13.134 1.00 0.87 H new ATOM 0 HD2 LYS A 165 8.552 -7.375 13.978 1.00 0.97 H new ATOM 0 HD3 LYS A 165 8.270 -5.837 14.769 1.00 0.97 H new ATOM 0 HE2 LYS A 165 7.339 -4.915 12.657 1.00 0.74 H new ATOM 0 HE3 LYS A 165 7.632 -6.446 11.855 1.00 0.74 H new ATOM 0 HZ1 LYS A 165 5.312 -5.960 12.797 1.00 0.80 H new ATOM 0 HZ2 LYS A 165 5.980 -7.500 13.057 1.00 0.80 H new ATOM 0 HZ3 LYS A 165 5.985 -6.351 14.307 1.00 0.80 H new ATOM 2612 N HIS A 166 11.957 -7.013 9.316 1.00 0.31 N ATOM 2613 CA HIS A 166 12.451 -7.968 8.336 1.00 0.32 C ATOM 2614 C HIS A 166 13.921 -7.695 8.028 1.00 0.29 C ATOM 2615 O HIS A 166 14.662 -8.595 7.640 1.00 0.34 O ATOM 2616 CB HIS A 166 11.613 -7.918 7.050 1.00 0.37 C ATOM 2617 CG HIS A 166 11.953 -9.006 6.070 1.00 0.46 C ATOM 2618 ND1 HIS A 166 11.374 -10.259 6.089 1.00 0.60 N ATOM 2619 CD2 HIS A 166 12.842 -9.028 5.047 1.00 0.54 C ATOM 2620 CE1 HIS A 166 11.900 -11.001 5.131 1.00 0.71 C ATOM 2621 NE2 HIS A 166 12.788 -10.277 4.484 1.00 0.67 N ATOM 0 H HIS A 166 11.418 -6.241 8.923 1.00 0.31 H new ATOM 0 HA HIS A 166 12.361 -8.969 8.758 1.00 0.32 H new ATOM 0 HB2 HIS A 166 10.557 -7.992 7.311 1.00 0.37 H new ATOM 0 HB3 HIS A 166 11.756 -6.950 6.570 1.00 0.37 H new ATOM 0 HD1 HIS A 166 10.652 -10.565 6.742 1.00 0.60 H new ATOM 0 HD2 HIS A 166 13.476 -8.212 4.733 1.00 0.54 H new ATOM 0 HE1 HIS A 166 11.644 -12.028 4.915 1.00 0.71 H new ATOM 2630 N LYS A 167 14.344 -6.453 8.209 1.00 0.27 N ATOM 2631 CA LYS A 167 15.728 -6.086 7.955 1.00 0.30 C ATOM 2632 C LYS A 167 16.620 -6.555 9.097 1.00 0.29 C ATOM 2633 O LYS A 167 17.768 -6.939 8.879 1.00 0.40 O ATOM 2634 CB LYS A 167 15.857 -4.583 7.746 1.00 0.37 C ATOM 2635 CG LYS A 167 15.284 -4.125 6.417 1.00 0.45 C ATOM 2636 CD LYS A 167 15.959 -2.860 5.928 1.00 0.62 C ATOM 2637 CE LYS A 167 15.615 -2.576 4.473 1.00 1.11 C ATOM 2638 NZ LYS A 167 16.380 -1.427 3.927 1.00 0.97 N ATOM 0 H LYS A 167 13.752 -5.686 8.529 1.00 0.27 H new ATOM 0 HA LYS A 167 16.055 -6.581 7.041 1.00 0.30 H new ATOM 0 HB2 LYS A 167 15.346 -4.063 8.556 1.00 0.37 H new ATOM 0 HB3 LYS A 167 16.909 -4.302 7.800 1.00 0.37 H new ATOM 0 HG2 LYS A 167 15.407 -4.914 5.675 1.00 0.45 H new ATOM 0 HG3 LYS A 167 14.213 -3.950 6.522 1.00 0.45 H new ATOM 0 HD2 LYS A 167 15.651 -2.018 6.548 1.00 0.62 H new ATOM 0 HD3 LYS A 167 17.039 -2.957 6.036 1.00 0.62 H new ATOM 0 HE2 LYS A 167 15.819 -3.463 3.874 1.00 1.11 H new ATOM 0 HE3 LYS A 167 14.548 -2.373 4.387 1.00 1.11 H new ATOM 0 HZ1 LYS A 167 16.100 -1.261 2.939 1.00 0.97 H new ATOM 0 HZ2 LYS A 167 16.179 -0.577 4.491 1.00 0.97 H new ATOM 0 HZ3 LYS A 167 17.398 -1.637 3.967 1.00 0.97 H new ATOM 2652 N GLU A 168 16.081 -6.543 10.311 1.00 0.26 N ATOM 2653 CA GLU A 168 16.832 -6.990 11.480 1.00 0.29 C ATOM 2654 C GLU A 168 16.691 -8.496 11.673 1.00 0.33 C ATOM 2655 O GLU A 168 17.188 -9.058 12.653 1.00 0.47 O ATOM 2656 CB GLU A 168 16.356 -6.267 12.743 1.00 0.35 C ATOM 2657 CG GLU A 168 14.889 -6.499 13.065 1.00 0.42 C ATOM 2658 CD GLU A 168 14.605 -6.506 14.553 1.00 0.63 C ATOM 2659 OE1 GLU A 168 14.331 -7.594 15.107 1.00 0.94 O ATOM 2660 OE2 GLU A 168 14.658 -5.426 15.176 1.00 1.12 O ATOM 0 H GLU A 168 15.131 -6.230 10.512 1.00 0.26 H new ATOM 0 HA GLU A 168 17.881 -6.751 11.308 1.00 0.29 H new ATOM 0 HB2 GLU A 168 16.961 -6.596 13.588 1.00 0.35 H new ATOM 0 HB3 GLU A 168 16.528 -5.197 12.625 1.00 0.35 H new ATOM 0 HG2 GLU A 168 14.291 -5.721 12.590 1.00 0.42 H new ATOM 0 HG3 GLU A 168 14.574 -7.450 12.636 1.00 0.42 H new ATOM 2667 N LYS A 169 16.008 -9.137 10.737 1.00 0.34 N ATOM 2668 CA LYS A 169 15.785 -10.572 10.792 1.00 0.41 C ATOM 2669 C LYS A 169 17.100 -11.328 10.693 1.00 0.59 C ATOM 2670 O LYS A 169 17.951 -10.932 9.871 1.00 0.72 O ATOM 2671 CB LYS A 169 14.846 -11.007 9.665 1.00 0.43 C ATOM 2672 CG LYS A 169 13.966 -12.183 10.038 1.00 0.69 C ATOM 2673 CD LYS A 169 12.969 -11.798 11.116 1.00 0.81 C ATOM 2674 CE LYS A 169 12.252 -13.009 11.683 1.00 1.07 C ATOM 2675 NZ LYS A 169 11.281 -12.627 12.737 1.00 1.47 N ATOM 2676 OXT LYS A 169 17.279 -12.309 11.443 1.00 0.82 O ATOM 0 H LYS A 169 15.596 -8.680 9.924 1.00 0.34 H new ATOM 0 HA LYS A 169 15.323 -10.807 11.751 1.00 0.41 H new ATOM 0 HB2 LYS A 169 14.214 -10.165 9.382 1.00 0.43 H new ATOM 0 HB3 LYS A 169 15.439 -11.269 8.789 1.00 0.43 H new ATOM 0 HG2 LYS A 169 13.434 -12.537 9.155 1.00 0.69 H new ATOM 0 HG3 LYS A 169 14.586 -13.008 10.389 1.00 0.69 H new ATOM 0 HD2 LYS A 169 13.487 -11.274 11.919 1.00 0.81 H new ATOM 0 HD3 LYS A 169 12.237 -11.104 10.703 1.00 0.81 H new ATOM 0 HE2 LYS A 169 11.732 -13.532 10.881 1.00 1.07 H new ATOM 0 HE3 LYS A 169 12.983 -13.704 12.096 1.00 1.07 H new ATOM 0 HZ1 LYS A 169 10.810 -13.480 13.101 1.00 1.47 H new ATOM 0 HZ2 LYS A 169 11.782 -12.150 13.514 1.00 1.47 H new ATOM 0 HZ3 LYS A 169 10.569 -11.983 12.336 1.00 1.47 H new