USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 931 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 22 TYR OH : rot -129:sc= 0.954 USER MOD Set 1.2: A 102 HIS : no HD1:sc= -0.598 X(o=1.2,f=1.2) USER MOD Set 1.3: A 105 SER OG : rot -80:sc= 0.883 USER MOD Set 2.1: A 53 HIS : no HE2:sc= -0.478 K(o=-0.49,f=-2.3!) USER MOD Set 2.2: A 94 SER OG : rot -170:sc= -0.0166 USER MOD Set 3.1: A 80 SER OG : rot -12:sc= 0.894 USER MOD Set 3.2: A 91 TYR OH : rot 3:sc= 1.17 USER MOD Set 4.1: A 82 GLN : amide:sc= 1.51 K(o=5.1,f=1.5) USER MOD Set 4.2: A 84 GLN : amide:sc= 0.997 K(o=5.1,f=2.8) USER MOD Set 4.3: A 89 HIS : no HD1:sc= 0.637 K(o=5.1,f=-2.7!) USER MOD Set 4.4: A 119 THR OG1 : rot 82:sc= 1.96 USER MOD Set 5.1: A 64 MET CE :methyl -169:sc= -0.102 (180deg=-0.158) USER MOD Set 5.2: A 67 GLN : amide:sc= 0.999 K(o=0.9,f=-0.41) USER MOD Set 6.1: A 28 HIS : no HD1:sc= 1.06 K(o=2.3,f=-5.2!) USER MOD Set 6.2: A 40 SER OG : rot -89:sc= 1.26 USER MOD Single : A 1 MET CE :methyl -179:sc= 0 (180deg=-0.00178) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -179:sc= 1.09 (180deg=1.09) USER MOD Single : A 29 SER OG : rot 90:sc= 0.857 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -174:sc= 2.01 (180deg=1.97) USER MOD Single : A 47 TYR OH : rot 164:sc= 1.31 USER MOD Single : A 48 LYS NZ :NH3+ -164:sc= 2.22 (180deg=1.71) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -152:sc= 0.11 (180deg=0.00204) USER MOD Single : A 61 SER OG : rot -77:sc= 1.29 USER MOD Single : A 65 GLN : amide:sc= 0.342 X(o=0.34,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 148:sc= 1.23 (180deg=1.06) USER MOD Single : A 69 CYS SG : rot -150:sc= -0.0948 USER MOD Single : A 71 CYS SG : rot 90:sc= -1.81 USER MOD Single : A 73 CYS SG : rot 135:sc= 1.17 USER MOD Single : A 81 HIS : no HE2:sc= 0.984 K(o=0.98,f=-3.1!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -161:sc= 1.23 (180deg=1.09) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 30:sc=-0.00282 USER MOD Single : A 101 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.2) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.00263 USER MOD Single : A 108 LYS NZ :NH3+ -111:sc= 0.634 (180deg=-0.284!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -147:sc= 1.25 (180deg=0.201) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -0.108 K(o=-0.11,f=-2.5!) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.643 13.917 16.347 1.00 0.00 N ATOM 2 CA MET A 1 10.766 14.212 14.899 1.00 0.00 C ATOM 3 C MET A 1 9.909 13.223 14.107 1.00 0.00 C ATOM 4 O MET A 1 10.130 12.010 14.191 1.00 0.00 O ATOM 5 CB MET A 1 12.242 14.172 14.443 1.00 0.00 C ATOM 6 CG MET A 1 12.426 14.636 12.988 1.00 0.00 C ATOM 7 SD MET A 1 14.117 14.492 12.334 1.00 0.00 S ATOM 8 CE MET A 1 14.967 15.783 13.286 1.00 0.00 C ATOM 0 H1 MET A 1 11.225 14.588 16.889 1.00 0.00 H new ATOM 0 H2 MET A 1 9.648 14.009 16.637 1.00 0.00 H new ATOM 0 H3 MET A 1 10.970 12.947 16.533 1.00 0.00 H new ATOM 0 HA MET A 1 10.404 15.223 14.709 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.838 14.805 15.100 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.623 13.156 14.547 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.757 14.056 12.352 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.113 15.677 12.914 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.013 15.829 12.983 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.492 16.746 13.098 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.907 15.550 14.349 1.00 0.00 H new ATOM 20 N ALA A 2 8.934 13.717 13.332 1.00 0.00 N ATOM 21 CA ALA A 2 8.071 12.884 12.492 1.00 0.00 C ATOM 22 C ALA A 2 8.891 12.059 11.490 1.00 0.00 C ATOM 23 O ALA A 2 10.032 12.407 11.168 1.00 0.00 O ATOM 24 CB ALA A 2 7.057 13.771 11.761 1.00 0.00 C ATOM 0 H ALA A 2 8.723 14.713 13.272 1.00 0.00 H new ATOM 0 HA ALA A 2 7.539 12.181 13.133 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.415 13.151 11.136 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.447 14.304 12.491 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.587 14.490 11.136 1.00 0.00 H new ATOM 30 N VAL A 3 8.308 10.966 10.994 1.00 0.00 N ATOM 31 CA VAL A 3 8.886 10.149 9.935 1.00 0.00 C ATOM 32 C VAL A 3 8.970 10.944 8.621 1.00 0.00 C ATOM 33 O VAL A 3 8.259 11.940 8.439 1.00 0.00 O ATOM 34 CB VAL A 3 8.065 8.848 9.779 1.00 0.00 C ATOM 35 CG1 VAL A 3 8.202 7.957 11.021 1.00 0.00 C ATOM 36 CG2 VAL A 3 6.571 9.065 9.487 1.00 0.00 C ATOM 0 H VAL A 3 7.407 10.621 11.325 1.00 0.00 H new ATOM 0 HA VAL A 3 9.906 9.873 10.202 1.00 0.00 H new ATOM 0 HB VAL A 3 8.492 8.359 8.903 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.615 7.049 10.884 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.250 7.693 11.166 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.839 8.495 11.897 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.075 8.099 9.393 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.119 9.628 10.304 1.00 0.00 H new ATOM 0 HG23 VAL A 3 6.459 9.622 8.557 1.00 0.00 H new ATOM 46 N ALA A 4 9.837 10.500 7.700 1.00 0.00 N ATOM 47 CA ALA A 4 9.852 11.017 6.336 1.00 0.00 C ATOM 48 C ALA A 4 8.536 10.628 5.637 1.00 0.00 C ATOM 49 O ALA A 4 7.753 9.826 6.153 1.00 0.00 O ATOM 50 CB ALA A 4 11.082 10.490 5.578 1.00 0.00 C ATOM 0 H ALA A 4 10.537 9.781 7.882 1.00 0.00 H new ATOM 0 HA ALA A 4 9.926 12.104 6.349 1.00 0.00 H new ATOM 0 HB1 ALA A 4 11.080 10.884 4.562 1.00 0.00 H new ATOM 0 HB2 ALA A 4 11.990 10.811 6.089 1.00 0.00 H new ATOM 0 HB3 ALA A 4 11.050 9.401 5.545 1.00 0.00 H new ATOM 56 N ASP A 5 8.299 11.165 4.443 1.00 0.00 N ATOM 57 CA ASP A 5 7.074 10.950 3.677 1.00 0.00 C ATOM 58 C ASP A 5 7.420 10.988 2.193 1.00 0.00 C ATOM 59 O ASP A 5 8.422 11.597 1.813 1.00 0.00 O ATOM 60 CB ASP A 5 6.052 12.043 4.020 1.00 0.00 C ATOM 61 CG ASP A 5 4.766 11.876 3.200 1.00 0.00 C ATOM 62 OD1 ASP A 5 3.922 11.030 3.568 1.00 0.00 O ATOM 63 OD2 ASP A 5 4.623 12.563 2.166 1.00 0.00 O ATOM 0 H ASP A 5 8.967 11.774 3.971 1.00 0.00 H new ATOM 0 HA ASP A 5 6.636 9.983 3.924 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.816 12.003 5.083 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.486 13.024 3.826 1.00 0.00 H new ATOM 68 N LEU A 6 6.604 10.365 1.342 1.00 0.00 N ATOM 69 CA LEU A 6 6.838 10.294 -0.096 1.00 0.00 C ATOM 70 C LEU A 6 6.945 11.677 -0.752 1.00 0.00 C ATOM 71 O LEU A 6 7.643 11.809 -1.759 1.00 0.00 O ATOM 72 CB LEU A 6 5.723 9.463 -0.759 1.00 0.00 C ATOM 73 CG LEU A 6 5.620 7.993 -0.318 1.00 0.00 C ATOM 74 CD1 LEU A 6 4.619 7.265 -1.221 1.00 0.00 C ATOM 75 CD2 LEU A 6 6.961 7.247 -0.343 1.00 0.00 C ATOM 0 H LEU A 6 5.751 9.890 1.639 1.00 0.00 H new ATOM 0 HA LEU A 6 7.802 9.808 -0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.768 9.949 -0.559 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.873 9.487 -1.838 1.00 0.00 H new ATOM 0 HG LEU A 6 5.286 7.999 0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.542 6.222 -0.913 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.642 7.741 -1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.960 7.313 -2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.810 6.217 -0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.363 7.254 -1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.664 7.739 0.329 1.00 0.00 H new ATOM 87 N ALA A 7 6.297 12.712 -0.206 1.00 0.00 N ATOM 88 CA ALA A 7 6.436 14.078 -0.688 1.00 0.00 C ATOM 89 C ALA A 7 7.794 14.694 -0.316 1.00 0.00 C ATOM 90 O ALA A 7 8.252 15.618 -0.991 1.00 0.00 O ATOM 91 CB ALA A 7 5.302 14.943 -0.126 1.00 0.00 C ATOM 0 H ALA A 7 5.660 12.618 0.585 1.00 0.00 H new ATOM 0 HA ALA A 7 6.380 14.047 -1.776 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.410 15.965 -0.489 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.342 14.541 -0.452 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.346 14.938 0.963 1.00 0.00 H new ATOM 97 N LEU A 8 8.423 14.216 0.765 1.00 0.00 N ATOM 98 CA LEU A 8 9.691 14.731 1.280 1.00 0.00 C ATOM 99 C LEU A 8 10.876 13.995 0.652 1.00 0.00 C ATOM 100 O LEU A 8 11.948 14.588 0.520 1.00 0.00 O ATOM 101 CB LEU A 8 9.753 14.590 2.814 1.00 0.00 C ATOM 102 CG LEU A 8 8.674 15.376 3.586 1.00 0.00 C ATOM 103 CD1 LEU A 8 8.784 15.069 5.084 1.00 0.00 C ATOM 104 CD2 LEU A 8 8.788 16.891 3.371 1.00 0.00 C ATOM 0 H LEU A 8 8.053 13.442 1.317 1.00 0.00 H new ATOM 0 HA LEU A 8 9.751 15.787 1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.665 13.534 3.070 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.734 14.920 3.155 1.00 0.00 H new ATOM 0 HG LEU A 8 7.705 15.058 3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.020 15.626 5.627 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.640 14.001 5.248 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.770 15.361 5.444 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.006 17.398 3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.764 17.235 3.713 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.675 17.118 2.311 1.00 0.00 H new ATOM 116 N ILE A 9 10.701 12.729 0.254 1.00 0.00 N ATOM 117 CA ILE A 9 11.696 11.980 -0.512 1.00 0.00 C ATOM 118 C ILE A 9 12.016 12.789 -1.788 1.00 0.00 C ATOM 119 O ILE A 9 11.072 13.177 -2.486 1.00 0.00 O ATOM 120 CB ILE A 9 11.168 10.553 -0.810 1.00 0.00 C ATOM 121 CG1 ILE A 9 11.112 9.744 0.505 1.00 0.00 C ATOM 122 CG2 ILE A 9 12.032 9.813 -1.848 1.00 0.00 C ATOM 123 CD1 ILE A 9 10.527 8.336 0.364 1.00 0.00 C ATOM 0 H ILE A 9 9.857 12.194 0.458 1.00 0.00 H new ATOM 0 HA ILE A 9 12.621 11.848 0.050 1.00 0.00 H new ATOM 0 HB ILE A 9 10.169 10.650 -1.236 1.00 0.00 H new ATOM 0 HG12 ILE A 9 12.121 9.665 0.911 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.519 10.298 1.232 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.620 8.819 -2.022 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.036 10.373 -2.783 1.00 0.00 H new ATOM 0 HG23 ILE A 9 13.052 9.723 -1.475 1.00 0.00 H new ATOM 0 HD11 ILE A 9 10.527 7.843 1.336 1.00 0.00 H new ATOM 0 HD12 ILE A 9 9.505 8.402 -0.009 1.00 0.00 H new ATOM 0 HD13 ILE A 9 11.132 7.759 -0.336 1.00 0.00 H new ATOM 135 N PRO A 10 13.303 13.051 -2.109 1.00 0.00 N ATOM 136 CA PRO A 10 13.704 13.671 -3.368 1.00 0.00 C ATOM 137 C PRO A 10 13.062 12.939 -4.545 1.00 0.00 C ATOM 138 O PRO A 10 13.112 11.709 -4.609 1.00 0.00 O ATOM 139 CB PRO A 10 15.236 13.596 -3.413 1.00 0.00 C ATOM 140 CG PRO A 10 15.627 13.541 -1.939 1.00 0.00 C ATOM 141 CD PRO A 10 14.479 12.756 -1.304 1.00 0.00 C ATOM 0 HA PRO A 10 13.374 14.708 -3.436 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.580 12.714 -3.954 1.00 0.00 H new ATOM 0 HB3 PRO A 10 15.667 14.464 -3.912 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.585 13.042 -1.795 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.719 14.538 -1.509 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.692 11.687 -1.300 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.328 13.055 -0.267 1.00 0.00 H new ATOM 149 N ASP A 11 12.485 13.675 -5.493 1.00 0.00 N ATOM 150 CA ASP A 11 11.650 13.079 -6.535 1.00 0.00 C ATOM 151 C ASP A 11 12.439 12.772 -7.806 1.00 0.00 C ATOM 152 O ASP A 11 12.367 11.666 -8.345 1.00 0.00 O ATOM 153 CB ASP A 11 10.492 14.036 -6.821 1.00 0.00 C ATOM 154 CG ASP A 11 9.361 13.329 -7.551 1.00 0.00 C ATOM 155 OD1 ASP A 11 8.767 12.399 -6.966 1.00 0.00 O ATOM 156 OD2 ASP A 11 9.002 13.747 -8.672 1.00 0.00 O ATOM 0 H ASP A 11 12.581 14.688 -5.561 1.00 0.00 H new ATOM 0 HA ASP A 11 11.269 12.121 -6.182 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.120 14.451 -5.884 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.848 14.873 -7.421 1.00 0.00 H new ATOM 161 N VAL A 12 13.312 13.692 -8.219 1.00 0.00 N ATOM 162 CA VAL A 12 14.157 13.567 -9.401 1.00 0.00 C ATOM 163 C VAL A 12 15.530 14.108 -9.013 1.00 0.00 C ATOM 164 O VAL A 12 15.627 15.148 -8.357 1.00 0.00 O ATOM 165 CB VAL A 12 13.557 14.365 -10.581 1.00 0.00 C ATOM 166 CG1 VAL A 12 14.411 14.234 -11.853 1.00 0.00 C ATOM 167 CG2 VAL A 12 12.131 13.914 -10.925 1.00 0.00 C ATOM 0 H VAL A 12 13.453 14.572 -7.722 1.00 0.00 H new ATOM 0 HA VAL A 12 14.231 12.530 -9.728 1.00 0.00 H new ATOM 0 HB VAL A 12 13.540 15.403 -10.247 1.00 0.00 H new ATOM 0 HG11 VAL A 12 13.955 14.810 -12.658 1.00 0.00 H new ATOM 0 HG12 VAL A 12 15.414 14.614 -11.659 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.470 13.186 -12.145 1.00 0.00 H new ATOM 0 HG21 VAL A 12 11.754 14.505 -11.760 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.140 12.860 -11.201 1.00 0.00 H new ATOM 0 HG23 VAL A 12 11.485 14.057 -10.059 1.00 0.00 H new ATOM 177 N ASP A 13 16.587 13.409 -9.425 1.00 0.00 N ATOM 178 CA ASP A 13 17.961 13.883 -9.334 1.00 0.00 C ATOM 179 C ASP A 13 18.748 13.123 -10.393 1.00 0.00 C ATOM 180 O ASP A 13 18.774 11.892 -10.367 1.00 0.00 O ATOM 181 CB ASP A 13 18.546 13.634 -7.936 1.00 0.00 C ATOM 182 CG ASP A 13 20.018 14.063 -7.853 1.00 0.00 C ATOM 183 OD1 ASP A 13 20.383 15.129 -8.398 1.00 0.00 O ATOM 184 OD2 ASP A 13 20.810 13.349 -7.199 1.00 0.00 O ATOM 0 H ASP A 13 16.507 12.480 -9.839 1.00 0.00 H new ATOM 0 HA ASP A 13 18.011 14.959 -9.500 1.00 0.00 H new ATOM 0 HB2 ASP A 13 17.965 14.183 -7.195 1.00 0.00 H new ATOM 0 HB3 ASP A 13 18.461 12.576 -7.689 1.00 0.00 H new ATOM 189 N ILE A 14 19.317 13.836 -11.363 1.00 0.00 N ATOM 190 CA ILE A 14 20.025 13.255 -12.497 1.00 0.00 C ATOM 191 C ILE A 14 21.278 14.088 -12.787 1.00 0.00 C ATOM 192 O ILE A 14 21.356 15.264 -12.419 1.00 0.00 O ATOM 193 CB ILE A 14 19.105 13.120 -13.744 1.00 0.00 C ATOM 194 CG1 ILE A 14 18.437 14.452 -14.167 1.00 0.00 C ATOM 195 CG2 ILE A 14 18.041 12.027 -13.526 1.00 0.00 C ATOM 196 CD1 ILE A 14 17.805 14.403 -15.564 1.00 0.00 C ATOM 0 H ILE A 14 19.297 14.856 -11.381 1.00 0.00 H new ATOM 0 HA ILE A 14 20.333 12.240 -12.244 1.00 0.00 H new ATOM 0 HB ILE A 14 19.757 12.828 -14.568 1.00 0.00 H new ATOM 0 HG12 ILE A 14 17.669 14.712 -13.438 1.00 0.00 H new ATOM 0 HG13 ILE A 14 19.182 15.247 -14.142 1.00 0.00 H new ATOM 0 HG21 ILE A 14 17.410 11.952 -14.412 1.00 0.00 H new ATOM 0 HG22 ILE A 14 18.533 11.071 -13.348 1.00 0.00 H new ATOM 0 HG23 ILE A 14 17.426 12.284 -12.663 1.00 0.00 H new ATOM 0 HD11 ILE A 14 17.356 15.369 -15.794 1.00 0.00 H new ATOM 0 HD12 ILE A 14 18.573 14.174 -16.303 1.00 0.00 H new ATOM 0 HD13 ILE A 14 17.036 13.631 -15.589 1.00 0.00 H new ATOM 208 N ASP A 15 22.249 13.474 -13.457 1.00 0.00 N ATOM 209 CA ASP A 15 23.556 14.044 -13.778 1.00 0.00 C ATOM 210 C ASP A 15 23.740 13.938 -15.291 1.00 0.00 C ATOM 211 O ASP A 15 24.175 12.915 -15.820 1.00 0.00 O ATOM 212 CB ASP A 15 24.651 13.347 -12.960 1.00 0.00 C ATOM 213 CG ASP A 15 26.042 13.392 -13.611 1.00 0.00 C ATOM 214 OD1 ASP A 15 26.530 14.502 -13.924 1.00 0.00 O ATOM 215 OD2 ASP A 15 26.660 12.310 -13.746 1.00 0.00 O ATOM 0 H ASP A 15 22.142 12.522 -13.807 1.00 0.00 H new ATOM 0 HA ASP A 15 23.625 15.097 -13.504 1.00 0.00 H new ATOM 0 HB2 ASP A 15 24.707 13.812 -11.976 1.00 0.00 H new ATOM 0 HB3 ASP A 15 24.367 12.306 -12.805 1.00 0.00 H new ATOM 220 N SER A 16 23.296 14.995 -15.974 1.00 0.00 N ATOM 221 CA SER A 16 23.146 15.128 -17.419 1.00 0.00 C ATOM 222 C SER A 16 24.494 15.255 -18.156 1.00 0.00 C ATOM 223 O SER A 16 24.725 16.226 -18.880 1.00 0.00 O ATOM 224 CB SER A 16 22.204 16.315 -17.687 1.00 0.00 C ATOM 225 OG SER A 16 21.037 16.219 -16.881 1.00 0.00 O ATOM 0 H SER A 16 23.010 15.846 -15.490 1.00 0.00 H new ATOM 0 HA SER A 16 22.709 14.215 -17.824 1.00 0.00 H new ATOM 0 HB2 SER A 16 22.721 17.251 -17.478 1.00 0.00 H new ATOM 0 HB3 SER A 16 21.925 16.334 -18.740 1.00 0.00 H new ATOM 0 HG SER A 16 20.450 16.982 -17.063 1.00 0.00 H new ATOM 231 N ASP A 17 25.409 14.306 -17.938 1.00 0.00 N ATOM 232 CA ASP A 17 26.777 14.326 -18.467 1.00 0.00 C ATOM 233 C ASP A 17 26.824 14.478 -19.992 1.00 0.00 C ATOM 234 O ASP A 17 27.601 15.285 -20.507 1.00 0.00 O ATOM 235 CB ASP A 17 27.506 13.038 -18.068 1.00 0.00 C ATOM 236 CG ASP A 17 28.834 12.897 -18.831 1.00 0.00 C ATOM 237 OD1 ASP A 17 29.850 13.485 -18.398 1.00 0.00 O ATOM 238 OD2 ASP A 17 28.852 12.184 -19.861 1.00 0.00 O ATOM 0 H ASP A 17 25.214 13.479 -17.373 1.00 0.00 H new ATOM 0 HA ASP A 17 27.269 15.198 -18.036 1.00 0.00 H new ATOM 0 HB2 ASP A 17 27.698 13.042 -16.995 1.00 0.00 H new ATOM 0 HB3 ASP A 17 26.870 12.177 -18.275 1.00 0.00 H new ATOM 243 N GLY A 18 25.995 13.713 -20.707 1.00 0.00 N ATOM 244 CA GLY A 18 25.958 13.696 -22.166 1.00 0.00 C ATOM 245 C GLY A 18 25.521 12.336 -22.697 1.00 0.00 C ATOM 246 O GLY A 18 24.725 12.292 -23.633 1.00 0.00 O ATOM 0 H GLY A 18 25.321 13.079 -20.278 1.00 0.00 H new ATOM 0 HA2 GLY A 18 25.272 14.465 -22.523 1.00 0.00 H new ATOM 0 HA3 GLY A 18 26.945 13.942 -22.559 1.00 0.00 H new ATOM 250 N VAL A 19 25.983 11.247 -22.068 1.00 0.00 N ATOM 251 CA VAL A 19 25.543 9.867 -22.291 1.00 0.00 C ATOM 252 C VAL A 19 25.707 9.158 -20.940 1.00 0.00 C ATOM 253 O VAL A 19 26.820 9.128 -20.410 1.00 0.00 O ATOM 254 CB VAL A 19 26.394 9.170 -23.386 1.00 0.00 C ATOM 255 CG1 VAL A 19 25.923 7.724 -23.622 1.00 0.00 C ATOM 256 CG2 VAL A 19 26.380 9.893 -24.742 1.00 0.00 C ATOM 0 H VAL A 19 26.710 11.310 -21.355 1.00 0.00 H new ATOM 0 HA VAL A 19 24.512 9.834 -22.644 1.00 0.00 H new ATOM 0 HB VAL A 19 27.412 9.194 -22.997 1.00 0.00 H new ATOM 0 HG11 VAL A 19 26.538 7.262 -24.394 1.00 0.00 H new ATOM 0 HG12 VAL A 19 26.015 7.156 -22.697 1.00 0.00 H new ATOM 0 HG13 VAL A 19 24.881 7.728 -23.943 1.00 0.00 H new ATOM 0 HG21 VAL A 19 26.997 9.344 -25.453 1.00 0.00 H new ATOM 0 HG22 VAL A 19 25.357 9.947 -25.115 1.00 0.00 H new ATOM 0 HG23 VAL A 19 26.775 10.901 -24.621 1.00 0.00 H new ATOM 266 N PHE A 20 24.629 8.622 -20.359 1.00 0.00 N ATOM 267 CA PHE A 20 24.639 7.942 -19.060 1.00 0.00 C ATOM 268 C PHE A 20 23.395 7.051 -18.937 1.00 0.00 C ATOM 269 O PHE A 20 22.454 7.200 -19.719 1.00 0.00 O ATOM 270 CB PHE A 20 24.694 8.972 -17.914 1.00 0.00 C ATOM 271 CG PHE A 20 23.509 9.923 -17.819 1.00 0.00 C ATOM 272 CD1 PHE A 20 23.360 10.980 -18.739 1.00 0.00 C ATOM 273 CD2 PHE A 20 22.556 9.762 -16.794 1.00 0.00 C ATOM 274 CE1 PHE A 20 22.268 11.859 -18.639 1.00 0.00 C ATOM 275 CE2 PHE A 20 21.478 10.657 -16.677 1.00 0.00 C ATOM 276 CZ PHE A 20 21.338 11.712 -17.595 1.00 0.00 C ATOM 0 H PHE A 20 23.704 8.650 -20.789 1.00 0.00 H new ATOM 0 HA PHE A 20 25.528 7.315 -18.989 1.00 0.00 H new ATOM 0 HB2 PHE A 20 24.779 8.433 -16.970 1.00 0.00 H new ATOM 0 HB3 PHE A 20 25.602 9.564 -18.026 1.00 0.00 H new ATOM 0 HD1 PHE A 20 24.089 11.115 -19.525 1.00 0.00 H new ATOM 0 HD2 PHE A 20 22.654 8.946 -16.094 1.00 0.00 H new ATOM 0 HE1 PHE A 20 22.143 12.649 -19.365 1.00 0.00 H new ATOM 0 HE2 PHE A 20 20.758 10.534 -15.882 1.00 0.00 H new ATOM 0 HZ PHE A 20 20.518 12.408 -17.499 1.00 0.00 H new ATOM 286 N LYS A 21 23.362 6.121 -17.975 1.00 0.00 N ATOM 287 CA LYS A 21 22.192 5.262 -17.755 1.00 0.00 C ATOM 288 C LYS A 21 21.337 5.828 -16.628 1.00 0.00 C ATOM 289 O LYS A 21 21.816 6.607 -15.801 1.00 0.00 O ATOM 290 CB LYS A 21 22.578 3.802 -17.455 1.00 0.00 C ATOM 291 CG LYS A 21 23.146 3.017 -18.650 1.00 0.00 C ATOM 292 CD LYS A 21 24.654 3.210 -18.866 1.00 0.00 C ATOM 293 CE LYS A 21 25.149 2.213 -19.927 1.00 0.00 C ATOM 294 NZ LYS A 21 26.627 2.096 -19.949 1.00 0.00 N ATOM 0 H LYS A 21 24.135 5.944 -17.334 1.00 0.00 H new ATOM 0 HA LYS A 21 21.618 5.252 -18.681 1.00 0.00 H new ATOM 0 HB2 LYS A 21 23.316 3.795 -16.653 1.00 0.00 H new ATOM 0 HB3 LYS A 21 21.697 3.279 -17.083 1.00 0.00 H new ATOM 0 HG2 LYS A 21 22.944 1.956 -18.503 1.00 0.00 H new ATOM 0 HG3 LYS A 21 22.618 3.320 -19.554 1.00 0.00 H new ATOM 0 HD2 LYS A 21 24.859 4.231 -19.187 1.00 0.00 H new ATOM 0 HD3 LYS A 21 25.189 3.057 -17.929 1.00 0.00 H new ATOM 0 HE2 LYS A 21 24.713 1.233 -19.732 1.00 0.00 H new ATOM 0 HE3 LYS A 21 24.798 2.528 -20.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 26.911 1.426 -20.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 27.046 3.027 -20.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 26.962 1.753 -19.026 1.00 0.00 H new ATOM 308 N TYR A 22 20.074 5.408 -16.579 1.00 0.00 N ATOM 309 CA TYR A 22 19.104 5.852 -15.590 1.00 0.00 C ATOM 310 C TYR A 22 18.192 4.667 -15.223 1.00 0.00 C ATOM 311 O TYR A 22 18.189 3.640 -15.910 1.00 0.00 O ATOM 312 CB TYR A 22 18.344 7.082 -16.132 1.00 0.00 C ATOM 313 CG TYR A 22 16.893 6.817 -16.447 1.00 0.00 C ATOM 314 CD1 TYR A 22 16.565 6.020 -17.556 1.00 0.00 C ATOM 315 CD2 TYR A 22 15.897 7.217 -15.536 1.00 0.00 C ATOM 316 CE1 TYR A 22 15.251 5.565 -17.720 1.00 0.00 C ATOM 317 CE2 TYR A 22 14.575 6.782 -15.708 1.00 0.00 C ATOM 318 CZ TYR A 22 14.256 5.936 -16.789 1.00 0.00 C ATOM 319 OH TYR A 22 12.989 5.478 -16.942 1.00 0.00 O ATOM 0 H TYR A 22 19.692 4.734 -17.243 1.00 0.00 H new ATOM 0 HA TYR A 22 19.589 6.175 -14.669 1.00 0.00 H new ATOM 0 HB2 TYR A 22 18.405 7.886 -15.399 1.00 0.00 H new ATOM 0 HB3 TYR A 22 18.842 7.435 -17.035 1.00 0.00 H new ATOM 0 HD1 TYR A 22 17.323 5.759 -18.279 1.00 0.00 H new ATOM 0 HD2 TYR A 22 16.151 7.859 -14.705 1.00 0.00 H new ATOM 0 HE1 TYR A 22 14.999 4.931 -18.557 1.00 0.00 H new ATOM 0 HE2 TYR A 22 13.806 7.093 -15.016 1.00 0.00 H new ATOM 0 HH TYR A 22 12.362 6.230 -16.897 1.00 0.00 H new ATOM 329 N VAL A 23 17.405 4.808 -14.156 1.00 0.00 N ATOM 330 CA VAL A 23 16.449 3.810 -13.704 1.00 0.00 C ATOM 331 C VAL A 23 15.209 4.529 -13.148 1.00 0.00 C ATOM 332 O VAL A 23 15.295 5.676 -12.688 1.00 0.00 O ATOM 333 CB VAL A 23 17.160 2.870 -12.701 1.00 0.00 C ATOM 334 CG1 VAL A 23 17.465 3.549 -11.355 1.00 0.00 C ATOM 335 CG2 VAL A 23 16.399 1.560 -12.472 1.00 0.00 C ATOM 0 H VAL A 23 17.419 5.643 -13.570 1.00 0.00 H new ATOM 0 HA VAL A 23 16.089 3.176 -14.514 1.00 0.00 H new ATOM 0 HB VAL A 23 18.112 2.627 -13.174 1.00 0.00 H new ATOM 0 HG11 VAL A 23 17.963 2.840 -10.694 1.00 0.00 H new ATOM 0 HG12 VAL A 23 18.114 4.409 -11.520 1.00 0.00 H new ATOM 0 HG13 VAL A 23 16.534 3.880 -10.895 1.00 0.00 H new ATOM 0 HG21 VAL A 23 16.945 0.942 -11.760 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.407 1.780 -12.076 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.302 1.026 -13.417 1.00 0.00 H new ATOM 345 N LEU A 24 14.064 3.840 -13.167 1.00 0.00 N ATOM 346 CA LEU A 24 12.789 4.319 -12.650 1.00 0.00 C ATOM 347 C LEU A 24 12.410 3.358 -11.537 1.00 0.00 C ATOM 348 O LEU A 24 12.194 2.177 -11.823 1.00 0.00 O ATOM 349 CB LEU A 24 11.742 4.303 -13.780 1.00 0.00 C ATOM 350 CG LEU A 24 10.353 4.868 -13.414 1.00 0.00 C ATOM 351 CD1 LEU A 24 10.409 6.379 -13.169 1.00 0.00 C ATOM 352 CD2 LEU A 24 9.371 4.594 -14.557 1.00 0.00 C ATOM 0 H LEU A 24 14.003 2.900 -13.558 1.00 0.00 H new ATOM 0 HA LEU A 24 12.846 5.341 -12.276 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.135 4.872 -14.622 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.617 3.275 -14.120 1.00 0.00 H new ATOM 0 HG LEU A 24 10.025 4.377 -12.498 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.414 6.743 -12.914 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.094 6.589 -12.348 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.759 6.881 -14.071 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.390 4.993 -14.298 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.729 5.074 -15.468 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.293 3.519 -14.720 1.00 0.00 H new ATOM 364 N ILE A 25 12.357 3.815 -10.283 1.00 0.00 N ATOM 365 CA ILE A 25 12.103 2.925 -9.154 1.00 0.00 C ATOM 366 C ILE A 25 10.842 3.381 -8.429 1.00 0.00 C ATOM 367 O ILE A 25 10.676 4.567 -8.139 1.00 0.00 O ATOM 368 CB ILE A 25 13.356 2.669 -8.260 1.00 0.00 C ATOM 369 CG1 ILE A 25 13.286 3.252 -6.831 1.00 0.00 C ATOM 370 CG2 ILE A 25 14.705 3.047 -8.915 1.00 0.00 C ATOM 371 CD1 ILE A 25 14.339 2.666 -5.884 1.00 0.00 C ATOM 0 H ILE A 25 12.487 4.794 -10.027 1.00 0.00 H new ATOM 0 HA ILE A 25 11.901 1.920 -9.525 1.00 0.00 H new ATOM 0 HB ILE A 25 13.323 1.584 -8.161 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.414 4.333 -6.881 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.294 3.067 -6.419 1.00 0.00 H new ATOM 0 HG21 ILE A 25 15.518 2.835 -8.221 1.00 0.00 H new ATOM 0 HG22 ILE A 25 14.843 2.464 -9.825 1.00 0.00 H new ATOM 0 HG23 ILE A 25 14.705 4.109 -9.161 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.234 3.119 -4.898 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.198 1.588 -5.805 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.335 2.874 -6.274 1.00 0.00 H new ATOM 383 N ARG A 26 9.944 2.432 -8.163 1.00 0.00 N ATOM 384 CA ARG A 26 8.796 2.640 -7.297 1.00 0.00 C ATOM 385 C ARG A 26 9.296 2.607 -5.862 1.00 0.00 C ATOM 386 O ARG A 26 10.177 1.809 -5.552 1.00 0.00 O ATOM 387 CB ARG A 26 7.756 1.541 -7.551 1.00 0.00 C ATOM 388 CG ARG A 26 6.483 1.731 -6.703 1.00 0.00 C ATOM 389 CD ARG A 26 5.268 1.025 -7.317 1.00 0.00 C ATOM 390 NE ARG A 26 4.800 1.753 -8.506 1.00 0.00 N ATOM 391 CZ ARG A 26 3.957 1.325 -9.448 1.00 0.00 C ATOM 392 NH1 ARG A 26 3.418 0.110 -9.378 1.00 0.00 N ATOM 393 NH2 ARG A 26 3.663 2.130 -10.463 1.00 0.00 N ATOM 0 H ARG A 26 9.999 1.490 -8.549 1.00 0.00 H new ATOM 0 HA ARG A 26 8.316 3.598 -7.496 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.488 1.535 -8.608 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.196 0.569 -7.328 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.656 1.345 -5.699 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.271 2.795 -6.603 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.532 0.003 -7.589 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.466 0.962 -6.582 1.00 0.00 H new ATOM 0 HE ARG A 26 5.163 2.699 -8.625 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.648 -0.506 -8.598 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.775 -0.205 -10.104 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.080 3.060 -10.514 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.021 1.818 -11.191 1.00 0.00 H new ATOM 407 N VAL A 27 8.698 3.413 -4.995 1.00 0.00 N ATOM 408 CA VAL A 27 9.024 3.547 -3.586 1.00 0.00 C ATOM 409 C VAL A 27 7.677 3.503 -2.871 1.00 0.00 C ATOM 410 O VAL A 27 6.821 4.350 -3.140 1.00 0.00 O ATOM 411 CB VAL A 27 9.751 4.892 -3.353 1.00 0.00 C ATOM 412 CG1 VAL A 27 10.185 5.083 -1.896 1.00 0.00 C ATOM 413 CG2 VAL A 27 10.963 5.115 -4.271 1.00 0.00 C ATOM 0 H VAL A 27 7.930 4.024 -5.274 1.00 0.00 H new ATOM 0 HA VAL A 27 9.689 2.765 -3.220 1.00 0.00 H new ATOM 0 HB VAL A 27 9.000 5.640 -3.606 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.690 6.043 -1.790 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.308 5.061 -1.249 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.866 4.281 -1.611 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.418 6.080 -4.045 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.693 4.323 -4.108 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.639 5.101 -5.312 1.00 0.00 H new ATOM 423 N HIS A 28 7.456 2.510 -2.013 1.00 0.00 N ATOM 424 CA HIS A 28 6.256 2.413 -1.184 1.00 0.00 C ATOM 425 C HIS A 28 6.486 3.202 0.107 1.00 0.00 C ATOM 426 O HIS A 28 7.613 3.227 0.615 1.00 0.00 O ATOM 427 CB HIS A 28 5.970 0.940 -0.870 1.00 0.00 C ATOM 428 CG HIS A 28 5.823 0.073 -2.100 1.00 0.00 C ATOM 429 ND1 HIS A 28 4.895 0.218 -3.106 1.00 0.00 N ATOM 430 CD2 HIS A 28 6.603 -1.003 -2.433 1.00 0.00 C ATOM 431 CE1 HIS A 28 5.102 -0.751 -4.011 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.139 -1.526 -3.647 1.00 0.00 N ATOM 0 H HIS A 28 8.112 1.742 -1.872 1.00 0.00 H new ATOM 0 HA HIS A 28 5.397 2.828 -1.711 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.778 0.546 -0.253 1.00 0.00 H new ATOM 0 HB3 HIS A 28 5.056 0.875 -0.279 1.00 0.00 H new ATOM 0 HD2 HIS A 28 7.434 -1.383 -1.858 1.00 0.00 H new ATOM 0 HE1 HIS A 28 4.517 -0.889 -4.908 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.512 -2.330 -4.152 1.00 0.00 H new ATOM 440 N SER A 29 5.443 3.829 0.661 1.00 0.00 N ATOM 441 CA SER A 29 5.545 4.571 1.910 1.00 0.00 C ATOM 442 C SER A 29 5.792 3.601 3.074 1.00 0.00 C ATOM 443 O SER A 29 4.871 2.918 3.524 1.00 0.00 O ATOM 444 CB SER A 29 4.299 5.444 2.135 1.00 0.00 C ATOM 445 OG SER A 29 3.089 4.735 2.013 1.00 0.00 O ATOM 0 H SER A 29 4.508 3.833 0.253 1.00 0.00 H new ATOM 0 HA SER A 29 6.396 5.250 1.855 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.352 5.890 3.128 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.305 6.264 1.417 1.00 0.00 H new ATOM 0 HG SER A 29 2.833 4.372 2.887 1.00 0.00 H new ATOM 451 N ALA A 30 7.034 3.526 3.561 1.00 0.00 N ATOM 452 CA ALA A 30 7.386 2.827 4.792 1.00 0.00 C ATOM 453 C ALA A 30 8.551 3.466 5.591 1.00 0.00 C ATOM 454 O ALA A 30 9.195 2.715 6.325 1.00 0.00 O ATOM 455 CB ALA A 30 7.627 1.336 4.483 1.00 0.00 C ATOM 0 H ALA A 30 7.834 3.958 3.100 1.00 0.00 H new ATOM 0 HA ALA A 30 6.536 2.924 5.467 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.890 0.812 5.402 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.720 0.900 4.064 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.441 1.240 3.765 1.00 0.00 H new ATOM 461 N PRO A 31 8.889 4.779 5.515 1.00 0.00 N ATOM 462 CA PRO A 31 9.885 5.373 6.412 1.00 0.00 C ATOM 463 C PRO A 31 9.768 4.934 7.879 1.00 0.00 C ATOM 464 O PRO A 31 8.669 4.873 8.439 1.00 0.00 O ATOM 465 CB PRO A 31 9.744 6.886 6.266 1.00 0.00 C ATOM 466 CG PRO A 31 9.353 7.021 4.802 1.00 0.00 C ATOM 467 CD PRO A 31 8.427 5.824 4.600 1.00 0.00 C ATOM 0 HA PRO A 31 10.876 5.022 6.123 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.983 7.292 6.932 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.675 7.407 6.491 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.846 7.965 4.602 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.221 6.979 4.144 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.392 6.094 4.811 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.461 5.478 3.567 1.00 0.00 H new ATOM 475 N ARG A 32 10.919 4.621 8.486 1.00 0.00 N ATOM 476 CA ARG A 32 11.097 4.019 9.816 1.00 0.00 C ATOM 477 C ARG A 32 10.127 2.864 10.130 1.00 0.00 C ATOM 478 O ARG A 32 9.840 2.615 11.302 1.00 0.00 O ATOM 479 CB ARG A 32 11.093 5.101 10.916 1.00 0.00 C ATOM 480 CG ARG A 32 12.007 6.302 10.627 1.00 0.00 C ATOM 481 CD ARG A 32 12.161 7.177 11.878 1.00 0.00 C ATOM 482 NE ARG A 32 12.597 8.542 11.522 1.00 0.00 N ATOM 483 CZ ARG A 32 12.037 9.683 11.946 1.00 0.00 C ATOM 484 NH1 ARG A 32 11.127 9.681 12.918 1.00 0.00 N ATOM 485 NH2 ARG A 32 12.364 10.830 11.363 1.00 0.00 N ATOM 0 H ARG A 32 11.815 4.793 8.030 1.00 0.00 H new ATOM 0 HA ARG A 32 12.080 3.548 9.800 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.073 5.460 11.052 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.398 4.646 11.858 1.00 0.00 H new ATOM 0 HG2 ARG A 32 12.986 5.951 10.300 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.592 6.894 9.811 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.212 7.223 12.412 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.886 6.725 12.555 1.00 0.00 H new ATOM 0 HE ARG A 32 13.398 8.624 10.896 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.846 8.802 13.352 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.711 10.559 13.229 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.038 10.839 10.597 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.941 11.702 11.681 1.00 0.00 H new ATOM 499 N SER A 33 9.615 2.164 9.113 1.00 0.00 N ATOM 500 CA SER A 33 8.579 1.141 9.242 1.00 0.00 C ATOM 501 C SER A 33 7.354 1.646 10.032 1.00 0.00 C ATOM 502 O SER A 33 6.719 0.878 10.761 1.00 0.00 O ATOM 503 CB SER A 33 9.194 -0.154 9.805 1.00 0.00 C ATOM 504 OG SER A 33 10.367 -0.521 9.089 1.00 0.00 O ATOM 0 H SER A 33 9.921 2.300 8.149 1.00 0.00 H new ATOM 0 HA SER A 33 8.186 0.907 8.253 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.436 -0.016 10.859 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.463 -0.961 9.749 1.00 0.00 H new ATOM 0 HG SER A 33 10.737 -1.345 9.468 1.00 0.00 H new ATOM 510 N GLY A 34 7.023 2.939 9.909 1.00 0.00 N ATOM 511 CA GLY A 34 5.982 3.601 10.691 1.00 0.00 C ATOM 512 C GLY A 34 5.269 4.698 9.899 1.00 0.00 C ATOM 513 O GLY A 34 4.786 5.666 10.490 1.00 0.00 O ATOM 0 H GLY A 34 7.485 3.563 9.247 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.252 2.861 11.020 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.425 4.033 11.588 1.00 0.00 H new ATOM 517 N ALA A 35 5.226 4.574 8.567 1.00 0.00 N ATOM 518 CA ALA A 35 4.480 5.485 7.704 1.00 0.00 C ATOM 519 C ALA A 35 2.968 5.390 7.993 1.00 0.00 C ATOM 520 O ALA A 35 2.492 4.323 8.392 1.00 0.00 O ATOM 521 CB ALA A 35 4.772 5.137 6.241 1.00 0.00 C ATOM 0 H ALA A 35 5.711 3.834 8.060 1.00 0.00 H new ATOM 0 HA ALA A 35 4.793 6.510 7.902 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.219 5.813 5.589 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.840 5.240 6.049 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.465 4.110 6.043 1.00 0.00 H new ATOM 527 N PRO A 36 2.191 6.464 7.753 1.00 0.00 N ATOM 528 CA PRO A 36 0.757 6.489 8.032 1.00 0.00 C ATOM 529 C PRO A 36 -0.091 5.720 7.003 1.00 0.00 C ATOM 530 O PRO A 36 -1.290 5.535 7.231 1.00 0.00 O ATOM 531 CB PRO A 36 0.387 7.977 8.052 1.00 0.00 C ATOM 532 CG PRO A 36 1.379 8.599 7.072 1.00 0.00 C ATOM 533 CD PRO A 36 2.644 7.778 7.312 1.00 0.00 C ATOM 0 HA PRO A 36 0.546 5.984 8.975 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -0.644 8.139 7.738 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.487 8.403 9.050 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.034 8.520 6.041 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.539 9.658 7.274 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.238 7.701 6.401 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.276 8.246 8.066 1.00 0.00 H new ATOM 541 N ALA A 37 0.489 5.296 5.875 1.00 0.00 N ATOM 542 CA ALA A 37 -0.218 4.706 4.744 1.00 0.00 C ATOM 543 C ALA A 37 0.726 3.785 3.962 1.00 0.00 C ATOM 544 O ALA A 37 1.910 3.682 4.294 1.00 0.00 O ATOM 545 CB ALA A 37 -0.735 5.846 3.853 1.00 0.00 C ATOM 0 H ALA A 37 1.496 5.358 5.724 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.059 4.105 5.090 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.268 5.427 2.999 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.411 6.479 4.428 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.107 6.441 3.499 1.00 0.00 H new ATOM 551 N ALA A 38 0.213 3.161 2.896 1.00 0.00 N ATOM 552 CA ALA A 38 0.943 2.281 1.984 1.00 0.00 C ATOM 553 C ALA A 38 0.694 2.734 0.541 1.00 0.00 C ATOM 554 O ALA A 38 0.299 1.949 -0.326 1.00 0.00 O ATOM 555 CB ALA A 38 0.569 0.818 2.248 1.00 0.00 C ATOM 0 H ALA A 38 -0.768 3.262 2.636 1.00 0.00 H new ATOM 0 HA ALA A 38 2.017 2.349 2.157 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.119 0.173 1.563 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.823 0.557 3.275 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.501 0.683 2.094 1.00 0.00 H new ATOM 561 N GLU A 39 0.856 4.037 0.315 1.00 0.00 N ATOM 562 CA GLU A 39 0.878 4.632 -1.011 1.00 0.00 C ATOM 563 C GLU A 39 2.233 4.340 -1.678 1.00 0.00 C ATOM 564 O GLU A 39 3.125 3.744 -1.065 1.00 0.00 O ATOM 565 CB GLU A 39 0.620 6.148 -0.902 1.00 0.00 C ATOM 566 CG GLU A 39 -0.782 6.467 -0.365 1.00 0.00 C ATOM 567 CD GLU A 39 -1.077 7.977 -0.412 1.00 0.00 C ATOM 568 OE1 GLU A 39 -0.769 8.698 0.564 1.00 0.00 O ATOM 569 OE2 GLU A 39 -1.641 8.460 -1.421 1.00 0.00 O ATOM 0 H GLU A 39 0.977 4.717 1.065 1.00 0.00 H new ATOM 0 HA GLU A 39 0.092 4.199 -1.630 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.367 6.595 -0.246 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.743 6.606 -1.883 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.528 5.932 -0.953 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.869 6.111 0.661 1.00 0.00 H new ATOM 576 N SER A 40 2.408 4.785 -2.926 1.00 0.00 N ATOM 577 CA SER A 40 3.659 4.646 -3.663 1.00 0.00 C ATOM 578 C SER A 40 3.942 5.902 -4.492 1.00 0.00 C ATOM 579 O SER A 40 3.028 6.667 -4.812 1.00 0.00 O ATOM 580 CB SER A 40 3.621 3.414 -4.578 1.00 0.00 C ATOM 581 OG SER A 40 3.104 2.268 -3.922 1.00 0.00 O ATOM 0 H SER A 40 1.674 5.256 -3.455 1.00 0.00 H new ATOM 0 HA SER A 40 4.461 4.516 -2.936 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.010 3.634 -5.454 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.628 3.200 -4.937 1.00 0.00 H new ATOM 0 HG SER A 40 3.835 1.785 -3.483 1.00 0.00 H new ATOM 587 N LYS A 41 5.209 6.087 -4.867 1.00 0.00 N ATOM 588 CA LYS A 41 5.687 7.099 -5.809 1.00 0.00 C ATOM 589 C LYS A 41 6.708 6.435 -6.731 1.00 0.00 C ATOM 590 O LYS A 41 7.288 5.419 -6.350 1.00 0.00 O ATOM 591 CB LYS A 41 6.330 8.290 -5.057 1.00 0.00 C ATOM 592 CG LYS A 41 7.619 7.896 -4.301 1.00 0.00 C ATOM 593 CD LYS A 41 8.414 9.010 -3.606 1.00 0.00 C ATOM 594 CE LYS A 41 8.879 10.125 -4.549 1.00 0.00 C ATOM 595 NZ LYS A 41 7.990 11.312 -4.551 1.00 0.00 N ATOM 0 H LYS A 41 5.966 5.507 -4.504 1.00 0.00 H new ATOM 0 HA LYS A 41 4.852 7.493 -6.389 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.560 9.082 -5.770 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.609 8.698 -4.349 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.351 7.156 -3.547 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.284 7.403 -5.009 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.797 9.446 -2.820 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.286 8.572 -3.121 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.884 10.435 -4.263 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.944 9.729 -5.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.306 11.981 -5.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.014 11.014 -4.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.026 11.774 -3.620 1.00 0.00 H new ATOM 609 N GLU A 42 7.006 7.056 -7.869 1.00 0.00 N ATOM 610 CA GLU A 42 8.115 6.667 -8.728 1.00 0.00 C ATOM 611 C GLU A 42 9.151 7.782 -8.613 1.00 0.00 C ATOM 612 O GLU A 42 8.783 8.961 -8.684 1.00 0.00 O ATOM 613 CB GLU A 42 7.664 6.522 -10.194 1.00 0.00 C ATOM 614 CG GLU A 42 7.251 5.102 -10.594 1.00 0.00 C ATOM 615 CD GLU A 42 5.874 4.680 -10.062 1.00 0.00 C ATOM 616 OE1 GLU A 42 5.765 4.308 -8.877 1.00 0.00 O ATOM 617 OE2 GLU A 42 4.901 4.609 -10.846 1.00 0.00 O ATOM 0 H GLU A 42 6.476 7.853 -8.223 1.00 0.00 H new ATOM 0 HA GLU A 42 8.517 5.701 -8.422 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.825 7.194 -10.371 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.476 6.848 -10.845 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.247 5.028 -11.681 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.001 4.400 -10.229 1.00 0.00 H new ATOM 624 N ILE A 43 10.429 7.426 -8.482 1.00 0.00 N ATOM 625 CA ILE A 43 11.541 8.371 -8.519 1.00 0.00 C ATOM 626 C ILE A 43 12.437 8.062 -9.716 1.00 0.00 C ATOM 627 O ILE A 43 12.496 6.924 -10.191 1.00 0.00 O ATOM 628 CB ILE A 43 12.334 8.389 -7.192 1.00 0.00 C ATOM 629 CG1 ILE A 43 12.962 7.028 -6.830 1.00 0.00 C ATOM 630 CG2 ILE A 43 11.433 8.914 -6.068 1.00 0.00 C ATOM 631 CD1 ILE A 43 13.897 7.073 -5.614 1.00 0.00 C ATOM 0 H ILE A 43 10.723 6.459 -8.345 1.00 0.00 H new ATOM 0 HA ILE A 43 11.136 9.376 -8.639 1.00 0.00 H new ATOM 0 HB ILE A 43 13.180 9.063 -7.326 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.164 6.312 -6.635 1.00 0.00 H new ATOM 0 HG13 ILE A 43 13.520 6.657 -7.690 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.990 8.927 -5.131 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.103 9.925 -6.308 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.564 8.264 -5.964 1.00 0.00 H new ATOM 0 HD11 ILE A 43 14.297 6.077 -5.426 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.718 7.762 -5.812 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.341 7.412 -4.740 1.00 0.00 H new ATOM 643 N VAL A 44 13.147 9.092 -10.172 1.00 0.00 N ATOM 644 CA VAL A 44 13.962 9.063 -11.378 1.00 0.00 C ATOM 645 C VAL A 44 15.392 9.362 -10.939 1.00 0.00 C ATOM 646 O VAL A 44 15.628 10.398 -10.305 1.00 0.00 O ATOM 647 CB VAL A 44 13.424 10.118 -12.370 1.00 0.00 C ATOM 648 CG1 VAL A 44 14.222 10.146 -13.680 1.00 0.00 C ATOM 649 CG2 VAL A 44 11.943 9.902 -12.720 1.00 0.00 C ATOM 0 H VAL A 44 13.170 9.994 -9.697 1.00 0.00 H new ATOM 0 HA VAL A 44 13.931 8.099 -11.886 1.00 0.00 H new ATOM 0 HB VAL A 44 13.536 11.070 -11.851 1.00 0.00 H new ATOM 0 HG11 VAL A 44 13.805 10.903 -14.344 1.00 0.00 H new ATOM 0 HG12 VAL A 44 15.264 10.384 -13.466 1.00 0.00 H new ATOM 0 HG13 VAL A 44 14.165 9.170 -14.162 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.619 10.672 -13.420 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.816 8.920 -13.176 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.342 9.961 -11.812 1.00 0.00 H new ATOM 659 N ARG A 45 16.333 8.467 -11.257 1.00 0.00 N ATOM 660 CA ARG A 45 17.754 8.613 -10.933 1.00 0.00 C ATOM 661 C ARG A 45 18.570 8.182 -12.139 1.00 0.00 C ATOM 662 O ARG A 45 18.161 7.267 -12.855 1.00 0.00 O ATOM 663 CB ARG A 45 18.139 7.733 -9.724 1.00 0.00 C ATOM 664 CG ARG A 45 17.508 8.143 -8.386 1.00 0.00 C ATOM 665 CD ARG A 45 17.906 9.546 -7.911 1.00 0.00 C ATOM 666 NE ARG A 45 16.706 10.369 -7.736 1.00 0.00 N ATOM 667 CZ ARG A 45 16.008 10.528 -6.611 1.00 0.00 C ATOM 668 NH1 ARG A 45 16.497 10.156 -5.430 1.00 0.00 N ATOM 669 NH2 ARG A 45 14.790 11.041 -6.686 1.00 0.00 N ATOM 0 H ARG A 45 16.123 7.603 -11.757 1.00 0.00 H new ATOM 0 HA ARG A 45 17.954 9.654 -10.679 1.00 0.00 H new ATOM 0 HB2 ARG A 45 17.855 6.703 -9.940 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.223 7.748 -9.615 1.00 0.00 H new ATOM 0 HG2 ARG A 45 16.423 8.096 -8.479 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.794 7.418 -7.624 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.453 9.480 -6.971 1.00 0.00 H new ATOM 0 HD3 ARG A 45 18.574 10.010 -8.637 1.00 0.00 H new ATOM 0 HE ARG A 45 16.371 10.871 -8.558 1.00 0.00 H new ATOM 0 HH11 ARG A 45 17.426 9.739 -5.371 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.943 10.288 -4.584 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.403 11.306 -7.592 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.238 11.171 -5.838 1.00 0.00 H new ATOM 683 N GLY A 46 19.737 8.786 -12.341 1.00 0.00 N ATOM 684 CA GLY A 46 20.669 8.392 -13.383 1.00 0.00 C ATOM 685 C GLY A 46 21.888 9.290 -13.335 1.00 0.00 C ATOM 686 O GLY A 46 21.742 10.511 -13.237 1.00 0.00 O ATOM 0 H GLY A 46 20.062 9.571 -11.777 1.00 0.00 H new ATOM 0 HA2 GLY A 46 20.965 7.352 -13.247 1.00 0.00 H new ATOM 0 HA3 GLY A 46 20.190 8.462 -14.360 1.00 0.00 H new ATOM 690 N TYR A 47 23.078 8.693 -13.393 1.00 0.00 N ATOM 691 CA TYR A 47 24.333 9.413 -13.220 1.00 0.00 C ATOM 692 C TYR A 47 25.426 8.723 -14.019 1.00 0.00 C ATOM 693 O TYR A 47 25.346 7.514 -14.253 1.00 0.00 O ATOM 694 CB TYR A 47 24.754 9.432 -11.739 1.00 0.00 C ATOM 695 CG TYR A 47 23.693 9.828 -10.726 1.00 0.00 C ATOM 696 CD1 TYR A 47 22.812 8.849 -10.225 1.00 0.00 C ATOM 697 CD2 TYR A 47 23.626 11.142 -10.227 1.00 0.00 C ATOM 698 CE1 TYR A 47 21.877 9.175 -9.229 1.00 0.00 C ATOM 699 CE2 TYR A 47 22.681 11.482 -9.244 1.00 0.00 C ATOM 700 CZ TYR A 47 21.807 10.495 -8.732 1.00 0.00 C ATOM 701 OH TYR A 47 20.931 10.790 -7.737 1.00 0.00 O ATOM 0 H TYR A 47 23.196 7.694 -13.562 1.00 0.00 H new ATOM 0 HA TYR A 47 24.189 10.436 -13.567 1.00 0.00 H new ATOM 0 HB2 TYR A 47 25.118 8.438 -11.477 1.00 0.00 H new ATOM 0 HB3 TYR A 47 25.595 10.118 -11.634 1.00 0.00 H new ATOM 0 HD1 TYR A 47 22.856 7.841 -10.610 1.00 0.00 H new ATOM 0 HD2 TYR A 47 24.305 11.894 -10.602 1.00 0.00 H new ATOM 0 HE1 TYR A 47 21.212 8.417 -8.843 1.00 0.00 H new ATOM 0 HE2 TYR A 47 22.622 12.497 -8.880 1.00 0.00 H new ATOM 0 HH TYR A 47 21.173 11.649 -7.333 1.00 0.00 H new ATOM 711 N LYS A 48 26.483 9.459 -14.378 1.00 0.00 N ATOM 712 CA LYS A 48 27.613 8.886 -15.106 1.00 0.00 C ATOM 713 C LYS A 48 28.280 7.761 -14.311 1.00 0.00 C ATOM 714 O LYS A 48 28.729 6.785 -14.913 1.00 0.00 O ATOM 715 CB LYS A 48 28.615 10.004 -15.442 1.00 0.00 C ATOM 716 CG LYS A 48 29.676 9.610 -16.485 1.00 0.00 C ATOM 717 CD LYS A 48 29.053 9.341 -17.861 1.00 0.00 C ATOM 718 CE LYS A 48 30.136 9.221 -18.939 1.00 0.00 C ATOM 719 NZ LYS A 48 29.598 9.560 -20.276 1.00 0.00 N ATOM 0 H LYS A 48 26.577 10.454 -14.174 1.00 0.00 H new ATOM 0 HA LYS A 48 27.249 8.441 -16.032 1.00 0.00 H new ATOM 0 HB2 LYS A 48 28.065 10.870 -15.809 1.00 0.00 H new ATOM 0 HB3 LYS A 48 29.119 10.311 -14.526 1.00 0.00 H new ATOM 0 HG2 LYS A 48 30.415 10.407 -16.570 1.00 0.00 H new ATOM 0 HG3 LYS A 48 30.205 8.720 -16.146 1.00 0.00 H new ATOM 0 HD2 LYS A 48 28.466 8.423 -17.826 1.00 0.00 H new ATOM 0 HD3 LYS A 48 28.367 10.148 -18.118 1.00 0.00 H new ATOM 0 HE2 LYS A 48 30.967 9.884 -18.699 1.00 0.00 H new ATOM 0 HE3 LYS A 48 30.532 8.205 -18.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 30.251 9.218 -21.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 28.669 9.109 -20.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 29.495 10.592 -20.358 1.00 0.00 H new ATOM 733 N TRP A 49 28.340 7.877 -12.978 1.00 0.00 N ATOM 734 CA TRP A 49 28.978 6.866 -12.143 1.00 0.00 C ATOM 735 C TRP A 49 28.240 5.523 -12.185 1.00 0.00 C ATOM 736 O TRP A 49 28.884 4.488 -12.001 1.00 0.00 O ATOM 737 CB TRP A 49 29.202 7.379 -10.709 1.00 0.00 C ATOM 738 CG TRP A 49 28.057 8.023 -9.975 1.00 0.00 C ATOM 739 CD1 TRP A 49 27.972 9.340 -9.675 1.00 0.00 C ATOM 740 CD2 TRP A 49 26.872 7.413 -9.370 1.00 0.00 C ATOM 741 NE1 TRP A 49 26.838 9.583 -8.927 1.00 0.00 N ATOM 742 CE2 TRP A 49 26.121 8.428 -8.704 1.00 0.00 C ATOM 743 CE3 TRP A 49 26.354 6.103 -9.306 1.00 0.00 C ATOM 744 CZ2 TRP A 49 24.924 8.155 -8.021 1.00 0.00 C ATOM 745 CZ3 TRP A 49 25.124 5.830 -8.684 1.00 0.00 C ATOM 746 CH2 TRP A 49 24.402 6.852 -8.045 1.00 0.00 C ATOM 0 H TRP A 49 27.952 8.665 -12.459 1.00 0.00 H new ATOM 0 HA TRP A 49 29.964 6.674 -12.566 1.00 0.00 H new ATOM 0 HB2 TRP A 49 29.545 6.536 -10.108 1.00 0.00 H new ATOM 0 HB3 TRP A 49 30.019 8.100 -10.742 1.00 0.00 H new ATOM 0 HD1 TRP A 49 28.687 10.091 -9.977 1.00 0.00 H new ATOM 0 HE1 TRP A 49 26.565 10.503 -8.582 1.00 0.00 H new ATOM 0 HE3 TRP A 49 26.915 5.291 -9.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 24.411 8.939 -7.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 24.730 4.825 -8.697 1.00 0.00 H new ATOM 0 HH2 TRP A 49 23.453 6.637 -7.576 1.00 0.00 H new ATOM 757 N ALA A 50 26.928 5.496 -12.460 1.00 0.00 N ATOM 758 CA ALA A 50 26.217 4.255 -12.710 1.00 0.00 C ATOM 759 C ALA A 50 26.451 3.849 -14.163 1.00 0.00 C ATOM 760 O ALA A 50 25.615 4.076 -15.038 1.00 0.00 O ATOM 761 CB ALA A 50 24.737 4.373 -12.357 1.00 0.00 C ATOM 0 H ALA A 50 26.344 6.330 -12.513 1.00 0.00 H new ATOM 0 HA ALA A 50 26.603 3.468 -12.062 1.00 0.00 H new ATOM 0 HB1 ALA A 50 24.238 3.425 -12.558 1.00 0.00 H new ATOM 0 HB2 ALA A 50 24.634 4.621 -11.301 1.00 0.00 H new ATOM 0 HB3 ALA A 50 24.280 5.158 -12.960 1.00 0.00 H new ATOM 767 N GLU A 51 27.609 3.240 -14.415 1.00 0.00 N ATOM 768 CA GLU A 51 27.965 2.679 -15.715 1.00 0.00 C ATOM 769 C GLU A 51 27.000 1.556 -16.136 1.00 0.00 C ATOM 770 O GLU A 51 26.999 1.161 -17.304 1.00 0.00 O ATOM 771 CB GLU A 51 29.410 2.155 -15.686 1.00 0.00 C ATOM 772 CG GLU A 51 30.438 3.267 -15.446 1.00 0.00 C ATOM 773 CD GLU A 51 31.880 2.735 -15.529 1.00 0.00 C ATOM 774 OE1 GLU A 51 32.474 2.741 -16.631 1.00 0.00 O ATOM 775 OE2 GLU A 51 32.445 2.321 -14.490 1.00 0.00 O ATOM 0 H GLU A 51 28.336 3.121 -13.710 1.00 0.00 H new ATOM 0 HA GLU A 51 27.885 3.476 -16.454 1.00 0.00 H new ATOM 0 HB2 GLU A 51 29.504 1.404 -14.902 1.00 0.00 H new ATOM 0 HB3 GLU A 51 29.631 1.659 -16.631 1.00 0.00 H new ATOM 0 HG2 GLU A 51 30.298 4.057 -16.184 1.00 0.00 H new ATOM 0 HG3 GLU A 51 30.270 3.713 -14.466 1.00 0.00 H new ATOM 782 N TYR A 52 26.176 1.054 -15.212 1.00 0.00 N ATOM 783 CA TYR A 52 25.155 0.043 -15.425 1.00 0.00 C ATOM 784 C TYR A 52 23.957 0.399 -14.542 1.00 0.00 C ATOM 785 O TYR A 52 24.126 0.857 -13.410 1.00 0.00 O ATOM 786 CB TYR A 52 25.683 -1.371 -15.119 1.00 0.00 C ATOM 787 CG TYR A 52 26.754 -1.478 -14.049 1.00 0.00 C ATOM 788 CD1 TYR A 52 28.085 -1.157 -14.373 1.00 0.00 C ATOM 789 CD2 TYR A 52 26.434 -1.903 -12.747 1.00 0.00 C ATOM 790 CE1 TYR A 52 29.098 -1.253 -13.403 1.00 0.00 C ATOM 791 CE2 TYR A 52 27.440 -2.008 -11.770 1.00 0.00 C ATOM 792 CZ TYR A 52 28.778 -1.681 -12.092 1.00 0.00 C ATOM 793 OH TYR A 52 29.745 -1.784 -11.136 1.00 0.00 O ATOM 0 H TYR A 52 26.212 1.365 -14.241 1.00 0.00 H new ATOM 0 HA TYR A 52 24.856 0.031 -16.473 1.00 0.00 H new ATOM 0 HB2 TYR A 52 24.839 -1.993 -14.820 1.00 0.00 H new ATOM 0 HB3 TYR A 52 26.080 -1.794 -16.042 1.00 0.00 H new ATOM 0 HD1 TYR A 52 28.330 -0.835 -15.374 1.00 0.00 H new ATOM 0 HD2 TYR A 52 25.413 -2.149 -12.497 1.00 0.00 H new ATOM 0 HE1 TYR A 52 30.117 -1.001 -13.657 1.00 0.00 H new ATOM 0 HE2 TYR A 52 27.191 -2.339 -10.773 1.00 0.00 H new ATOM 0 HH TYR A 52 29.344 -2.091 -10.296 1.00 0.00 H new ATOM 803 N HIS A 53 22.746 0.155 -15.046 1.00 0.00 N ATOM 804 CA HIS A 53 21.479 0.452 -14.370 1.00 0.00 C ATOM 805 C HIS A 53 21.346 -0.252 -13.014 1.00 0.00 C ATOM 806 O HIS A 53 20.696 0.270 -12.108 1.00 0.00 O ATOM 807 CB HIS A 53 20.310 0.066 -15.295 1.00 0.00 C ATOM 808 CG HIS A 53 20.472 -1.288 -15.955 1.00 0.00 C ATOM 809 ND1 HIS A 53 20.411 -2.525 -15.345 1.00 0.00 N ATOM 810 CD2 HIS A 53 20.819 -1.504 -17.262 1.00 0.00 C ATOM 811 CE1 HIS A 53 20.753 -3.451 -16.255 1.00 0.00 C ATOM 812 NE2 HIS A 53 20.984 -2.881 -17.451 1.00 0.00 N ATOM 0 H HIS A 53 22.614 -0.268 -15.965 1.00 0.00 H new ATOM 0 HA HIS A 53 21.458 1.522 -14.162 1.00 0.00 H new ATOM 0 HB2 HIS A 53 19.386 0.070 -14.717 1.00 0.00 H new ATOM 0 HB3 HIS A 53 20.205 0.826 -16.069 1.00 0.00 H new ATOM 0 HD1 HIS A 53 20.152 -2.704 -14.375 1.00 0.00 H new ATOM 0 HD2 HIS A 53 20.944 -0.742 -18.017 1.00 0.00 H new ATOM 0 HE1 HIS A 53 20.832 -4.509 -16.054 1.00 0.00 H new ATOM 820 N ALA A 54 21.962 -1.428 -12.851 1.00 0.00 N ATOM 821 CA ALA A 54 21.918 -2.147 -11.584 1.00 0.00 C ATOM 822 C ALA A 54 22.605 -1.356 -10.466 1.00 0.00 C ATOM 823 O ALA A 54 22.220 -1.497 -9.306 1.00 0.00 O ATOM 824 CB ALA A 54 22.538 -3.539 -11.743 1.00 0.00 C ATOM 0 H ALA A 54 22.495 -1.897 -13.583 1.00 0.00 H new ATOM 0 HA ALA A 54 20.874 -2.266 -11.296 1.00 0.00 H new ATOM 0 HB1 ALA A 54 22.499 -4.066 -10.790 1.00 0.00 H new ATOM 0 HB2 ALA A 54 21.981 -4.102 -12.492 1.00 0.00 H new ATOM 0 HB3 ALA A 54 23.576 -3.441 -12.061 1.00 0.00 H new ATOM 830 N ASP A 55 23.589 -0.508 -10.799 1.00 0.00 N ATOM 831 CA ASP A 55 24.320 0.261 -9.794 1.00 0.00 C ATOM 832 C ASP A 55 23.395 1.261 -9.104 1.00 0.00 C ATOM 833 O ASP A 55 23.363 1.332 -7.875 1.00 0.00 O ATOM 834 CB ASP A 55 25.497 1.021 -10.416 1.00 0.00 C ATOM 835 CG ASP A 55 26.452 1.501 -9.314 1.00 0.00 C ATOM 836 OD1 ASP A 55 27.150 0.658 -8.707 1.00 0.00 O ATOM 837 OD2 ASP A 55 26.522 2.722 -9.065 1.00 0.00 O ATOM 0 H ASP A 55 23.893 -0.341 -11.758 1.00 0.00 H new ATOM 0 HA ASP A 55 24.705 -0.450 -9.063 1.00 0.00 H new ATOM 0 HB2 ASP A 55 26.029 0.375 -11.114 1.00 0.00 H new ATOM 0 HB3 ASP A 55 25.129 1.874 -10.987 1.00 0.00 H new ATOM 842 N ILE A 56 22.601 1.997 -9.893 1.00 0.00 N ATOM 843 CA ILE A 56 21.639 2.955 -9.364 1.00 0.00 C ATOM 844 C ILE A 56 20.502 2.232 -8.656 1.00 0.00 C ATOM 845 O ILE A 56 20.115 2.704 -7.593 1.00 0.00 O ATOM 846 CB ILE A 56 21.084 3.966 -10.406 1.00 0.00 C ATOM 847 CG1 ILE A 56 21.114 3.479 -11.877 1.00 0.00 C ATOM 848 CG2 ILE A 56 21.733 5.339 -10.171 1.00 0.00 C ATOM 849 CD1 ILE A 56 20.908 4.563 -12.931 1.00 0.00 C ATOM 0 H ILE A 56 22.612 1.941 -10.911 1.00 0.00 H new ATOM 0 HA ILE A 56 22.197 3.561 -8.650 1.00 0.00 H new ATOM 0 HB ILE A 56 20.011 4.062 -10.237 1.00 0.00 H new ATOM 0 HG12 ILE A 56 22.073 2.994 -12.062 1.00 0.00 H new ATOM 0 HG13 ILE A 56 20.343 2.720 -12.006 1.00 0.00 H new ATOM 0 HG21 ILE A 56 21.348 6.053 -10.899 1.00 0.00 H new ATOM 0 HG22 ILE A 56 21.498 5.685 -9.164 1.00 0.00 H new ATOM 0 HG23 ILE A 56 22.814 5.254 -10.283 1.00 0.00 H new ATOM 0 HD11 ILE A 56 20.947 4.116 -13.925 1.00 0.00 H new ATOM 0 HD12 ILE A 56 19.936 5.035 -12.783 1.00 0.00 H new ATOM 0 HD13 ILE A 56 21.693 5.313 -12.839 1.00 0.00 H new ATOM 861 N TYR A 57 19.976 1.111 -9.170 1.00 0.00 N ATOM 862 CA TYR A 57 18.914 0.429 -8.435 1.00 0.00 C ATOM 863 C TYR A 57 19.424 0.019 -7.051 1.00 0.00 C ATOM 864 O TYR A 57 18.761 0.312 -6.058 1.00 0.00 O ATOM 865 CB TYR A 57 18.347 -0.787 -9.180 1.00 0.00 C ATOM 866 CG TYR A 57 17.350 -1.565 -8.328 1.00 0.00 C ATOM 867 CD1 TYR A 57 16.230 -0.916 -7.765 1.00 0.00 C ATOM 868 CD2 TYR A 57 17.591 -2.920 -8.022 1.00 0.00 C ATOM 869 CE1 TYR A 57 15.364 -1.606 -6.896 1.00 0.00 C ATOM 870 CE2 TYR A 57 16.723 -3.621 -7.166 1.00 0.00 C ATOM 871 CZ TYR A 57 15.611 -2.966 -6.589 1.00 0.00 C ATOM 872 OH TYR A 57 14.794 -3.654 -5.742 1.00 0.00 O ATOM 0 H TYR A 57 20.255 0.677 -10.050 1.00 0.00 H new ATOM 0 HA TYR A 57 18.091 1.136 -8.334 1.00 0.00 H new ATOM 0 HB2 TYR A 57 17.859 -0.455 -10.097 1.00 0.00 H new ATOM 0 HB3 TYR A 57 19.164 -1.446 -9.474 1.00 0.00 H new ATOM 0 HD1 TYR A 57 16.036 0.119 -8.003 1.00 0.00 H new ATOM 0 HD2 TYR A 57 18.447 -3.422 -8.447 1.00 0.00 H new ATOM 0 HE1 TYR A 57 14.513 -1.099 -6.465 1.00 0.00 H new ATOM 0 HE2 TYR A 57 16.906 -4.663 -6.949 1.00 0.00 H new ATOM 0 HH TYR A 57 15.118 -4.574 -5.651 1.00 0.00 H new ATOM 882 N ASP A 58 20.607 -0.596 -6.957 1.00 0.00 N ATOM 883 CA ASP A 58 21.154 -1.047 -5.680 1.00 0.00 C ATOM 884 C ASP A 58 21.408 0.127 -4.731 1.00 0.00 C ATOM 885 O ASP A 58 20.985 0.092 -3.574 1.00 0.00 O ATOM 886 CB ASP A 58 22.450 -1.832 -5.898 1.00 0.00 C ATOM 887 CG ASP A 58 23.059 -2.251 -4.549 1.00 0.00 C ATOM 888 OD1 ASP A 58 22.558 -3.217 -3.931 1.00 0.00 O ATOM 889 OD2 ASP A 58 24.055 -1.635 -4.112 1.00 0.00 O ATOM 0 H ASP A 58 21.206 -0.793 -7.759 1.00 0.00 H new ATOM 0 HA ASP A 58 20.413 -1.701 -5.219 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.249 -2.716 -6.503 1.00 0.00 H new ATOM 0 HB3 ASP A 58 23.163 -1.222 -6.452 1.00 0.00 H new ATOM 894 N LYS A 59 22.054 1.192 -5.221 1.00 0.00 N ATOM 895 CA LYS A 59 22.356 2.379 -4.425 1.00 0.00 C ATOM 896 C LYS A 59 21.074 3.038 -3.925 1.00 0.00 C ATOM 897 O LYS A 59 20.950 3.333 -2.735 1.00 0.00 O ATOM 898 CB LYS A 59 23.215 3.329 -5.273 1.00 0.00 C ATOM 899 CG LYS A 59 23.484 4.688 -4.603 1.00 0.00 C ATOM 900 CD LYS A 59 24.889 5.180 -4.965 1.00 0.00 C ATOM 901 CE LYS A 59 25.095 6.638 -4.532 1.00 0.00 C ATOM 902 NZ LYS A 59 26.407 7.169 -4.977 1.00 0.00 N ATOM 0 H LYS A 59 22.382 1.251 -6.185 1.00 0.00 H new ATOM 0 HA LYS A 59 22.921 2.104 -3.534 1.00 0.00 H new ATOM 0 HB2 LYS A 59 24.168 2.846 -5.490 1.00 0.00 H new ATOM 0 HB3 LYS A 59 22.718 3.497 -6.229 1.00 0.00 H new ATOM 0 HG2 LYS A 59 22.740 5.416 -4.926 1.00 0.00 H new ATOM 0 HG3 LYS A 59 23.390 4.595 -3.521 1.00 0.00 H new ATOM 0 HD2 LYS A 59 25.634 4.546 -4.484 1.00 0.00 H new ATOM 0 HD3 LYS A 59 25.042 5.092 -6.041 1.00 0.00 H new ATOM 0 HE2 LYS A 59 24.296 7.255 -4.943 1.00 0.00 H new ATOM 0 HE3 LYS A 59 25.025 6.707 -3.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 26.722 7.911 -4.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 27.106 6.399 -4.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 26.314 7.569 -5.932 1.00 0.00 H new ATOM 916 N VAL A 60 20.121 3.276 -4.823 1.00 0.00 N ATOM 917 CA VAL A 60 18.945 4.068 -4.514 1.00 0.00 C ATOM 918 C VAL A 60 17.997 3.251 -3.646 1.00 0.00 C ATOM 919 O VAL A 60 17.532 3.780 -2.640 1.00 0.00 O ATOM 920 CB VAL A 60 18.299 4.600 -5.803 1.00 0.00 C ATOM 921 CG1 VAL A 60 17.050 5.428 -5.460 1.00 0.00 C ATOM 922 CG2 VAL A 60 19.292 5.489 -6.580 1.00 0.00 C ATOM 0 H VAL A 60 20.147 2.925 -5.780 1.00 0.00 H new ATOM 0 HA VAL A 60 19.223 4.950 -3.937 1.00 0.00 H new ATOM 0 HB VAL A 60 18.020 3.747 -6.422 1.00 0.00 H new ATOM 0 HG11 VAL A 60 16.598 5.802 -6.379 1.00 0.00 H new ATOM 0 HG12 VAL A 60 16.332 4.801 -4.931 1.00 0.00 H new ATOM 0 HG13 VAL A 60 17.333 6.269 -4.827 1.00 0.00 H new ATOM 0 HG21 VAL A 60 18.817 5.856 -7.490 1.00 0.00 H new ATOM 0 HG22 VAL A 60 19.587 6.334 -5.958 1.00 0.00 H new ATOM 0 HG23 VAL A 60 20.175 4.906 -6.842 1.00 0.00 H new ATOM 932 N SER A 61 17.738 1.975 -3.958 1.00 0.00 N ATOM 933 CA SER A 61 16.909 1.153 -3.084 1.00 0.00 C ATOM 934 C SER A 61 17.567 1.007 -1.709 1.00 0.00 C ATOM 935 O SER A 61 16.852 0.913 -0.713 1.00 0.00 O ATOM 936 CB SER A 61 16.579 -0.204 -3.719 1.00 0.00 C ATOM 937 OG SER A 61 17.736 -0.960 -4.007 1.00 0.00 O ATOM 0 H SER A 61 18.085 1.502 -4.792 1.00 0.00 H new ATOM 0 HA SER A 61 15.955 1.660 -2.943 1.00 0.00 H new ATOM 0 HB2 SER A 61 15.937 -0.771 -3.045 1.00 0.00 H new ATOM 0 HB3 SER A 61 16.015 -0.044 -4.638 1.00 0.00 H new ATOM 0 HG SER A 61 18.159 -0.613 -4.820 1.00 0.00 H new ATOM 943 N GLY A 62 18.902 1.021 -1.631 1.00 0.00 N ATOM 944 CA GLY A 62 19.636 1.053 -0.379 1.00 0.00 C ATOM 945 C GLY A 62 19.277 2.294 0.434 1.00 0.00 C ATOM 946 O GLY A 62 18.882 2.164 1.591 1.00 0.00 O ATOM 0 H GLY A 62 19.505 1.010 -2.454 1.00 0.00 H new ATOM 0 HA2 GLY A 62 19.413 0.157 0.200 1.00 0.00 H new ATOM 0 HA3 GLY A 62 20.707 1.043 -0.581 1.00 0.00 H new ATOM 950 N ASP A 63 19.357 3.493 -0.155 1.00 0.00 N ATOM 951 CA ASP A 63 19.018 4.720 0.567 1.00 0.00 C ATOM 952 C ASP A 63 17.531 4.781 0.903 1.00 0.00 C ATOM 953 O ASP A 63 17.184 5.100 2.035 1.00 0.00 O ATOM 954 CB ASP A 63 19.432 5.984 -0.185 1.00 0.00 C ATOM 955 CG ASP A 63 19.119 7.228 0.668 1.00 0.00 C ATOM 956 OD1 ASP A 63 19.992 7.613 1.480 1.00 0.00 O ATOM 957 OD2 ASP A 63 18.025 7.819 0.526 1.00 0.00 O ATOM 0 H ASP A 63 19.651 3.637 -1.121 1.00 0.00 H new ATOM 0 HA ASP A 63 19.590 4.685 1.494 1.00 0.00 H new ATOM 0 HB2 ASP A 63 20.497 5.949 -0.415 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.902 6.042 -1.136 1.00 0.00 H new ATOM 962 N MET A 64 16.636 4.407 -0.014 1.00 0.00 N ATOM 963 CA MET A 64 15.215 4.345 0.314 1.00 0.00 C ATOM 964 C MET A 64 14.963 3.408 1.502 1.00 0.00 C ATOM 965 O MET A 64 14.228 3.770 2.420 1.00 0.00 O ATOM 966 CB MET A 64 14.410 3.899 -0.908 1.00 0.00 C ATOM 967 CG MET A 64 14.439 4.853 -2.108 1.00 0.00 C ATOM 968 SD MET A 64 13.717 6.489 -1.810 1.00 0.00 S ATOM 969 CE MET A 64 15.225 7.427 -1.460 1.00 0.00 C ATOM 0 H MET A 64 16.867 4.147 -0.973 1.00 0.00 H new ATOM 0 HA MET A 64 14.886 5.343 0.603 1.00 0.00 H new ATOM 0 HB2 MET A 64 14.783 2.927 -1.231 1.00 0.00 H new ATOM 0 HB3 MET A 64 13.373 3.757 -0.605 1.00 0.00 H new ATOM 0 HG2 MET A 64 15.474 4.982 -2.424 1.00 0.00 H new ATOM 0 HG3 MET A 64 13.909 4.385 -2.937 1.00 0.00 H new ATOM 0 HE1 MET A 64 14.960 8.407 -1.064 1.00 0.00 H new ATOM 0 HE2 MET A 64 15.826 6.890 -0.726 1.00 0.00 H new ATOM 0 HE3 MET A 64 15.799 7.550 -2.379 1.00 0.00 H new ATOM 979 N GLN A 65 15.598 2.233 1.552 1.00 0.00 N ATOM 980 CA GLN A 65 15.474 1.310 2.673 1.00 0.00 C ATOM 981 C GLN A 65 16.137 1.849 3.946 1.00 0.00 C ATOM 982 O GLN A 65 15.663 1.548 5.040 1.00 0.00 O ATOM 983 CB GLN A 65 16.091 -0.041 2.287 1.00 0.00 C ATOM 984 CG GLN A 65 15.164 -0.896 1.411 1.00 0.00 C ATOM 985 CD GLN A 65 15.890 -2.117 0.850 1.00 0.00 C ATOM 986 OE1 GLN A 65 15.690 -3.247 1.289 1.00 0.00 O ATOM 987 NE2 GLN A 65 16.756 -1.912 -0.127 1.00 0.00 N ATOM 0 H GLN A 65 16.214 1.898 0.811 1.00 0.00 H new ATOM 0 HA GLN A 65 14.413 1.189 2.893 1.00 0.00 H new ATOM 0 HB2 GLN A 65 17.027 0.132 1.755 1.00 0.00 H new ATOM 0 HB3 GLN A 65 16.337 -0.594 3.193 1.00 0.00 H new ATOM 0 HG2 GLN A 65 14.305 -1.221 1.998 1.00 0.00 H new ATOM 0 HG3 GLN A 65 14.779 -0.292 0.590 1.00 0.00 H new ATOM 0 HE21 GLN A 65 16.911 -0.968 -0.481 1.00 0.00 H new ATOM 0 HE22 GLN A 65 17.269 -2.698 -0.527 1.00 0.00 H new ATOM 996 N LYS A 66 17.193 2.664 3.841 1.00 0.00 N ATOM 997 CA LYS A 66 17.791 3.365 4.975 1.00 0.00 C ATOM 998 C LYS A 66 16.755 4.322 5.575 1.00 0.00 C ATOM 999 O LYS A 66 16.623 4.373 6.798 1.00 0.00 O ATOM 1000 CB LYS A 66 19.049 4.095 4.479 1.00 0.00 C ATOM 1001 CG LYS A 66 19.879 4.830 5.539 1.00 0.00 C ATOM 1002 CD LYS A 66 20.616 6.018 4.897 1.00 0.00 C ATOM 1003 CE LYS A 66 21.540 5.622 3.730 1.00 0.00 C ATOM 1004 NZ LYS A 66 22.119 6.810 3.060 1.00 0.00 N ATOM 0 H LYS A 66 17.659 2.855 2.954 1.00 0.00 H new ATOM 0 HA LYS A 66 18.088 2.674 5.764 1.00 0.00 H new ATOM 0 HB2 LYS A 66 19.693 3.367 3.986 1.00 0.00 H new ATOM 0 HB3 LYS A 66 18.747 4.818 3.721 1.00 0.00 H new ATOM 0 HG2 LYS A 66 19.230 5.184 6.340 1.00 0.00 H new ATOM 0 HG3 LYS A 66 20.598 4.145 5.989 1.00 0.00 H new ATOM 0 HD2 LYS A 66 19.881 6.738 4.537 1.00 0.00 H new ATOM 0 HD3 LYS A 66 21.208 6.522 5.661 1.00 0.00 H new ATOM 0 HE2 LYS A 66 22.344 4.987 4.102 1.00 0.00 H new ATOM 0 HE3 LYS A 66 20.978 5.033 3.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 23.067 6.578 2.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 21.508 7.094 2.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 22.189 7.593 3.741 1.00 0.00 H new ATOM 1018 N GLN A 67 15.992 5.041 4.738 1.00 0.00 N ATOM 1019 CA GLN A 67 14.865 5.852 5.204 1.00 0.00 C ATOM 1020 C GLN A 67 13.768 4.952 5.794 1.00 0.00 C ATOM 1021 O GLN A 67 13.172 5.294 6.816 1.00 0.00 O ATOM 1022 CB GLN A 67 14.338 6.768 4.081 1.00 0.00 C ATOM 1023 CG GLN A 67 15.448 7.682 3.522 1.00 0.00 C ATOM 1024 CD GLN A 67 14.944 8.782 2.588 1.00 0.00 C ATOM 1025 OE1 GLN A 67 13.948 9.447 2.858 1.00 0.00 O ATOM 1026 NE2 GLN A 67 15.633 9.031 1.484 1.00 0.00 N ATOM 0 H GLN A 67 16.139 5.075 3.729 1.00 0.00 H new ATOM 0 HA GLN A 67 15.210 6.509 6.002 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.929 6.158 3.276 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.521 7.380 4.464 1.00 0.00 H new ATOM 0 HG2 GLN A 67 15.977 8.143 4.356 1.00 0.00 H new ATOM 0 HG3 GLN A 67 16.172 7.069 2.985 1.00 0.00 H new ATOM 0 HE21 GLN A 67 16.460 8.476 1.263 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.336 9.777 0.855 1.00 0.00 H new ATOM 1035 N GLY A 68 13.534 3.785 5.190 1.00 0.00 N ATOM 1036 CA GLY A 68 12.692 2.700 5.701 1.00 0.00 C ATOM 1037 C GLY A 68 11.836 2.029 4.618 1.00 0.00 C ATOM 1038 O GLY A 68 11.188 1.018 4.887 1.00 0.00 O ATOM 0 H GLY A 68 13.947 3.559 4.285 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.327 1.948 6.169 1.00 0.00 H new ATOM 0 HA3 GLY A 68 12.037 3.094 6.478 1.00 0.00 H new ATOM 1042 N CYS A 69 11.809 2.604 3.414 1.00 0.00 N ATOM 1043 CA CYS A 69 10.910 2.250 2.323 1.00 0.00 C ATOM 1044 C CYS A 69 11.186 0.845 1.776 1.00 0.00 C ATOM 1045 O CYS A 69 12.217 0.239 2.066 1.00 0.00 O ATOM 1046 CB CYS A 69 11.097 3.287 1.212 1.00 0.00 C ATOM 1047 SG CYS A 69 10.688 4.947 1.824 1.00 0.00 S ATOM 0 H CYS A 69 12.444 3.363 3.166 1.00 0.00 H new ATOM 0 HA CYS A 69 9.885 2.246 2.695 1.00 0.00 H new ATOM 0 HB2 CYS A 69 12.127 3.267 0.856 1.00 0.00 H new ATOM 0 HB3 CYS A 69 10.461 3.038 0.362 1.00 0.00 H new ATOM 0 HG CYS A 69 10.237 5.672 0.844 1.00 0.00 H new ATOM 1053 N ASP A 70 10.300 0.369 0.902 1.00 0.00 N ATOM 1054 CA ASP A 70 10.483 -0.842 0.102 1.00 0.00 C ATOM 1055 C ASP A 70 10.304 -0.404 -1.347 1.00 0.00 C ATOM 1056 O ASP A 70 9.412 0.407 -1.620 1.00 0.00 O ATOM 1057 CB ASP A 70 9.475 -1.925 0.499 1.00 0.00 C ATOM 1058 CG ASP A 70 9.623 -3.164 -0.398 1.00 0.00 C ATOM 1059 OD1 ASP A 70 10.745 -3.706 -0.507 1.00 0.00 O ATOM 1060 OD2 ASP A 70 8.612 -3.619 -0.978 1.00 0.00 O ATOM 0 H ASP A 70 9.407 0.830 0.726 1.00 0.00 H new ATOM 0 HA ASP A 70 11.465 -1.287 0.260 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.627 -2.205 1.541 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.462 -1.532 0.419 1.00 0.00 H new ATOM 1065 N CYS A 71 11.164 -0.875 -2.254 1.00 0.00 N ATOM 1066 CA CYS A 71 11.249 -0.349 -3.613 1.00 0.00 C ATOM 1067 C CYS A 71 11.507 -1.430 -4.658 1.00 0.00 C ATOM 1068 O CYS A 71 11.961 -2.528 -4.327 1.00 0.00 O ATOM 1069 CB CYS A 71 12.410 0.655 -3.689 1.00 0.00 C ATOM 1070 SG CYS A 71 12.276 1.938 -2.420 1.00 0.00 S ATOM 0 H CYS A 71 11.820 -1.632 -2.064 1.00 0.00 H new ATOM 0 HA CYS A 71 10.286 0.113 -3.831 1.00 0.00 H new ATOM 0 HB2 CYS A 71 13.356 0.126 -3.572 1.00 0.00 H new ATOM 0 HB3 CYS A 71 12.424 1.120 -4.675 1.00 0.00 H new ATOM 0 HG CYS A 71 12.893 1.550 -1.344 1.00 0.00 H new ATOM 1076 N GLU A 72 11.300 -1.089 -5.933 1.00 0.00 N ATOM 1077 CA GLU A 72 11.526 -1.967 -7.068 1.00 0.00 C ATOM 1078 C GLU A 72 11.809 -1.091 -8.289 1.00 0.00 C ATOM 1079 O GLU A 72 11.075 -0.134 -8.538 1.00 0.00 O ATOM 1080 CB GLU A 72 10.266 -2.826 -7.273 1.00 0.00 C ATOM 1081 CG GLU A 72 10.350 -3.673 -8.545 1.00 0.00 C ATOM 1082 CD GLU A 72 9.218 -4.713 -8.616 1.00 0.00 C ATOM 1083 OE1 GLU A 72 8.101 -4.380 -9.071 1.00 0.00 O ATOM 1084 OE2 GLU A 72 9.439 -5.885 -8.233 1.00 0.00 O ATOM 0 H GLU A 72 10.961 -0.166 -6.204 1.00 0.00 H new ATOM 0 HA GLU A 72 12.374 -2.632 -6.906 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.128 -3.479 -6.411 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.391 -2.179 -7.326 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.301 -3.023 -9.418 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.313 -4.182 -8.580 1.00 0.00 H new ATOM 1091 N CYS A 73 12.868 -1.394 -9.047 1.00 0.00 N ATOM 1092 CA CYS A 73 13.110 -0.784 -10.347 1.00 0.00 C ATOM 1093 C CYS A 73 12.016 -1.301 -11.289 1.00 0.00 C ATOM 1094 O CYS A 73 12.005 -2.483 -11.641 1.00 0.00 O ATOM 1095 CB CYS A 73 14.528 -1.109 -10.854 1.00 0.00 C ATOM 1096 SG CYS A 73 14.931 -2.864 -10.594 1.00 0.00 S ATOM 0 H CYS A 73 13.579 -2.071 -8.771 1.00 0.00 H new ATOM 0 HA CYS A 73 13.064 0.304 -10.290 1.00 0.00 H new ATOM 0 HB2 CYS A 73 14.602 -0.869 -11.915 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.255 -0.485 -10.334 1.00 0.00 H new ATOM 0 HG CYS A 73 15.486 -3.345 -11.667 1.00 0.00 H new ATOM 1102 N LEU A 74 11.079 -0.433 -11.681 1.00 0.00 N ATOM 1103 CA LEU A 74 10.032 -0.780 -12.642 1.00 0.00 C ATOM 1104 C LEU A 74 10.652 -1.079 -14.010 1.00 0.00 C ATOM 1105 O LEU A 74 10.104 -1.863 -14.785 1.00 0.00 O ATOM 1106 CB LEU A 74 9.017 0.369 -12.769 1.00 0.00 C ATOM 1107 CG LEU A 74 8.229 0.697 -11.486 1.00 0.00 C ATOM 1108 CD1 LEU A 74 7.210 1.795 -11.795 1.00 0.00 C ATOM 1109 CD2 LEU A 74 7.498 -0.520 -10.903 1.00 0.00 C ATOM 0 H LEU A 74 11.026 0.527 -11.341 1.00 0.00 H new ATOM 0 HA LEU A 74 9.513 -1.669 -12.283 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.547 1.266 -13.089 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.307 0.119 -13.558 1.00 0.00 H new ATOM 0 HG LEU A 74 8.950 1.026 -10.738 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.647 2.034 -10.892 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.731 2.687 -12.145 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.525 1.448 -12.569 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.962 -0.225 -10.001 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.790 -0.905 -11.637 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.223 -1.296 -10.657 1.00 0.00 H new ATOM 1121 N GLY A 75 11.799 -0.463 -14.292 1.00 0.00 N ATOM 1122 CA GLY A 75 12.617 -0.664 -15.468 1.00 0.00 C ATOM 1123 C GLY A 75 13.690 0.415 -15.462 1.00 0.00 C ATOM 1124 O GLY A 75 13.851 1.143 -14.475 1.00 0.00 O ATOM 0 H GLY A 75 12.199 0.231 -13.661 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.069 -1.656 -15.457 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.012 -0.600 -16.373 1.00 0.00 H new ATOM 1128 N GLY A 76 14.388 0.570 -16.576 1.00 0.00 N ATOM 1129 CA GLY A 76 15.285 1.690 -16.788 1.00 0.00 C ATOM 1130 C GLY A 76 15.649 1.768 -18.259 1.00 0.00 C ATOM 1131 O GLY A 76 14.970 1.175 -19.105 1.00 0.00 O ATOM 0 H GLY A 76 14.347 -0.081 -17.360 1.00 0.00 H new ATOM 0 HA2 GLY A 76 14.809 2.617 -16.469 1.00 0.00 H new ATOM 0 HA3 GLY A 76 16.185 1.570 -16.185 1.00 0.00 H new ATOM 1135 N GLY A 77 16.702 2.519 -18.560 1.00 0.00 N ATOM 1136 CA GLY A 77 17.090 2.842 -19.915 1.00 0.00 C ATOM 1137 C GLY A 77 18.347 3.697 -19.901 1.00 0.00 C ATOM 1138 O GLY A 77 19.090 3.735 -18.914 1.00 0.00 O ATOM 0 H GLY A 77 17.316 2.924 -17.853 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.268 1.927 -20.480 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.282 3.375 -20.417 1.00 0.00 H new ATOM 1142 N ARG A 78 18.582 4.407 -20.999 1.00 0.00 N ATOM 1143 CA ARG A 78 19.757 5.235 -21.201 1.00 0.00 C ATOM 1144 C ARG A 78 19.279 6.637 -21.554 1.00 0.00 C ATOM 1145 O ARG A 78 18.157 6.822 -22.035 1.00 0.00 O ATOM 1146 CB ARG A 78 20.647 4.554 -22.257 1.00 0.00 C ATOM 1147 CG ARG A 78 22.036 5.186 -22.436 1.00 0.00 C ATOM 1148 CD ARG A 78 23.031 4.258 -23.155 1.00 0.00 C ATOM 1149 NE ARG A 78 22.680 3.978 -24.560 1.00 0.00 N ATOM 1150 CZ ARG A 78 22.046 2.897 -25.039 1.00 0.00 C ATOM 1151 NH1 ARG A 78 21.482 2.009 -24.231 1.00 0.00 N ATOM 1152 NH2 ARG A 78 21.960 2.696 -26.348 1.00 0.00 N ATOM 0 H ARG A 78 17.941 4.420 -21.792 1.00 0.00 H new ATOM 0 HA ARG A 78 20.380 5.340 -20.312 1.00 0.00 H new ATOM 0 HB2 ARG A 78 20.773 3.506 -21.984 1.00 0.00 H new ATOM 0 HB3 ARG A 78 20.128 4.574 -23.216 1.00 0.00 H new ATOM 0 HG2 ARG A 78 21.937 6.112 -23.002 1.00 0.00 H new ATOM 0 HG3 ARG A 78 22.437 5.451 -21.458 1.00 0.00 H new ATOM 0 HD2 ARG A 78 24.023 4.709 -23.122 1.00 0.00 H new ATOM 0 HD3 ARG A 78 23.091 3.315 -22.611 1.00 0.00 H new ATOM 0 HE ARG A 78 22.949 4.685 -25.244 1.00 0.00 H new ATOM 0 HH11 ARG A 78 21.524 2.140 -23.220 1.00 0.00 H new ATOM 0 HH12 ARG A 78 21.006 1.195 -24.620 1.00 0.00 H new ATOM 0 HH21 ARG A 78 22.377 3.365 -26.995 1.00 0.00 H new ATOM 0 HH22 ARG A 78 21.477 1.872 -26.707 1.00 0.00 H new ATOM 1166 N ILE A 79 20.110 7.626 -21.263 1.00 0.00 N ATOM 1167 CA ILE A 79 19.822 9.028 -21.473 1.00 0.00 C ATOM 1168 C ILE A 79 21.026 9.575 -22.221 1.00 0.00 C ATOM 1169 O ILE A 79 22.174 9.203 -21.952 1.00 0.00 O ATOM 1170 CB ILE A 79 19.543 9.746 -20.128 1.00 0.00 C ATOM 1171 CG1 ILE A 79 18.273 9.161 -19.465 1.00 0.00 C ATOM 1172 CG2 ILE A 79 19.367 11.262 -20.359 1.00 0.00 C ATOM 1173 CD1 ILE A 79 17.805 9.867 -18.183 1.00 0.00 C ATOM 0 H ILE A 79 21.033 7.464 -20.861 1.00 0.00 H new ATOM 0 HA ILE A 79 18.915 9.191 -22.055 1.00 0.00 H new ATOM 0 HB ILE A 79 20.393 9.587 -19.465 1.00 0.00 H new ATOM 0 HG12 ILE A 79 17.460 9.190 -20.191 1.00 0.00 H new ATOM 0 HG13 ILE A 79 18.457 8.112 -19.234 1.00 0.00 H new ATOM 0 HG21 ILE A 79 19.172 11.755 -19.407 1.00 0.00 H new ATOM 0 HG22 ILE A 79 20.276 11.671 -20.799 1.00 0.00 H new ATOM 0 HG23 ILE A 79 18.529 11.432 -21.034 1.00 0.00 H new ATOM 0 HD11 ILE A 79 16.909 9.376 -17.804 1.00 0.00 H new ATOM 0 HD12 ILE A 79 18.593 9.816 -17.431 1.00 0.00 H new ATOM 0 HD13 ILE A 79 17.581 10.911 -18.403 1.00 0.00 H new ATOM 1185 N SER A 80 20.778 10.437 -23.200 1.00 0.00 N ATOM 1186 CA SER A 80 21.824 11.120 -23.940 1.00 0.00 C ATOM 1187 C SER A 80 21.287 12.458 -24.438 1.00 0.00 C ATOM 1188 O SER A 80 20.071 12.664 -24.446 1.00 0.00 O ATOM 1189 CB SER A 80 22.303 10.255 -25.117 1.00 0.00 C ATOM 1190 OG SER A 80 22.616 8.934 -24.699 1.00 0.00 O ATOM 0 H SER A 80 19.835 10.682 -23.503 1.00 0.00 H new ATOM 0 HA SER A 80 22.678 11.295 -23.286 1.00 0.00 H new ATOM 0 HB2 SER A 80 21.529 10.221 -25.884 1.00 0.00 H new ATOM 0 HB3 SER A 80 23.182 10.712 -25.571 1.00 0.00 H new ATOM 0 HG SER A 80 22.648 8.900 -23.720 1.00 0.00 H new ATOM 1196 N HIS A 81 22.169 13.370 -24.848 1.00 0.00 N ATOM 1197 CA HIS A 81 21.755 14.585 -25.544 1.00 0.00 C ATOM 1198 C HIS A 81 21.023 14.211 -26.845 1.00 0.00 C ATOM 1199 O HIS A 81 21.305 13.165 -27.442 1.00 0.00 O ATOM 1200 CB HIS A 81 22.967 15.493 -25.794 1.00 0.00 C ATOM 1201 CG HIS A 81 24.008 14.932 -26.731 1.00 0.00 C ATOM 1202 ND1 HIS A 81 23.973 14.988 -28.106 1.00 0.00 N ATOM 1203 CD2 HIS A 81 25.175 14.301 -26.385 1.00 0.00 C ATOM 1204 CE1 HIS A 81 25.082 14.397 -28.579 1.00 0.00 C ATOM 1205 NE2 HIS A 81 25.854 13.962 -27.564 1.00 0.00 N ATOM 0 H HIS A 81 23.176 13.288 -24.709 1.00 0.00 H new ATOM 0 HA HIS A 81 21.058 15.149 -24.924 1.00 0.00 H new ATOM 0 HB2 HIS A 81 22.613 16.442 -26.196 1.00 0.00 H new ATOM 0 HB3 HIS A 81 23.442 15.710 -24.837 1.00 0.00 H new ATOM 0 HD1 HIS A 81 23.232 15.406 -28.669 1.00 0.00 H new ATOM 0 HD2 HIS A 81 25.513 14.100 -25.379 1.00 0.00 H new ATOM 0 HE1 HIS A 81 25.322 14.286 -29.626 1.00 0.00 H new ATOM 1213 N GLN A 82 20.099 15.061 -27.303 1.00 0.00 N ATOM 1214 CA GLN A 82 19.495 14.927 -28.625 1.00 0.00 C ATOM 1215 C GLN A 82 20.588 15.059 -29.693 1.00 0.00 C ATOM 1216 O GLN A 82 21.602 15.728 -29.484 1.00 0.00 O ATOM 1217 CB GLN A 82 18.424 16.011 -28.853 1.00 0.00 C ATOM 1218 CG GLN A 82 17.103 15.794 -28.097 1.00 0.00 C ATOM 1219 CD GLN A 82 16.043 16.838 -28.474 1.00 0.00 C ATOM 1220 OE1 GLN A 82 16.322 17.852 -29.112 1.00 0.00 O ATOM 1221 NE2 GLN A 82 14.788 16.614 -28.123 1.00 0.00 N ATOM 0 H GLN A 82 19.752 15.857 -26.768 1.00 0.00 H new ATOM 0 HA GLN A 82 19.017 13.950 -28.693 1.00 0.00 H new ATOM 0 HB2 GLN A 82 18.838 16.976 -28.560 1.00 0.00 H new ATOM 0 HB3 GLN A 82 18.209 16.068 -29.920 1.00 0.00 H new ATOM 0 HG2 GLN A 82 16.722 14.796 -28.314 1.00 0.00 H new ATOM 0 HG3 GLN A 82 17.289 15.838 -27.024 1.00 0.00 H new ATOM 0 HE21 GLN A 82 14.548 15.776 -27.594 1.00 0.00 H new ATOM 0 HE22 GLN A 82 14.060 17.280 -28.381 1.00 0.00 H new ATOM 1230 N SER A 83 20.343 14.518 -30.885 1.00 0.00 N ATOM 1231 CA SER A 83 21.234 14.586 -32.046 1.00 0.00 C ATOM 1232 C SER A 83 21.352 16.004 -32.656 1.00 0.00 C ATOM 1233 O SER A 83 21.753 16.144 -33.814 1.00 0.00 O ATOM 1234 CB SER A 83 20.729 13.575 -33.089 1.00 0.00 C ATOM 1235 OG SER A 83 20.421 12.322 -32.487 1.00 0.00 O ATOM 0 H SER A 83 19.486 14.000 -31.078 1.00 0.00 H new ATOM 0 HA SER A 83 22.243 14.337 -31.718 1.00 0.00 H new ATOM 0 HB2 SER A 83 19.842 13.971 -33.583 1.00 0.00 H new ATOM 0 HB3 SER A 83 21.487 13.434 -33.859 1.00 0.00 H new ATOM 0 HG SER A 83 20.101 11.699 -33.173 1.00 0.00 H new ATOM 1241 N GLN A 84 20.965 17.052 -31.918 1.00 0.00 N ATOM 1242 CA GLN A 84 20.871 18.429 -32.395 1.00 0.00 C ATOM 1243 C GLN A 84 21.134 19.467 -31.292 1.00 0.00 C ATOM 1244 O GLN A 84 21.402 20.624 -31.620 1.00 0.00 O ATOM 1245 CB GLN A 84 19.480 18.663 -33.024 1.00 0.00 C ATOM 1246 CG GLN A 84 18.301 18.356 -32.077 1.00 0.00 C ATOM 1247 CD GLN A 84 16.932 18.761 -32.633 1.00 0.00 C ATOM 1248 OE1 GLN A 84 16.757 19.054 -33.815 1.00 0.00 O ATOM 1249 NE2 GLN A 84 15.918 18.786 -31.784 1.00 0.00 N ATOM 0 H GLN A 84 20.700 16.956 -30.938 1.00 0.00 H new ATOM 0 HA GLN A 84 21.652 18.565 -33.143 1.00 0.00 H new ATOM 0 HB2 GLN A 84 19.410 19.701 -33.349 1.00 0.00 H new ATOM 0 HB3 GLN A 84 19.387 18.043 -33.915 1.00 0.00 H new ATOM 0 HG2 GLN A 84 18.292 17.288 -31.860 1.00 0.00 H new ATOM 0 HG3 GLN A 84 18.464 18.872 -31.131 1.00 0.00 H new ATOM 0 HE21 GLN A 84 16.067 18.542 -30.805 1.00 0.00 H new ATOM 0 HE22 GLN A 84 14.987 19.049 -32.109 1.00 0.00 H new ATOM 1258 N ASP A 85 21.041 19.105 -30.005 1.00 0.00 N ATOM 1259 CA ASP A 85 21.092 20.057 -28.893 1.00 0.00 C ATOM 1260 C ASP A 85 21.420 19.306 -27.600 1.00 0.00 C ATOM 1261 O ASP A 85 21.133 18.113 -27.495 1.00 0.00 O ATOM 1262 CB ASP A 85 19.731 20.761 -28.750 1.00 0.00 C ATOM 1263 CG ASP A 85 19.799 21.889 -27.712 1.00 0.00 C ATOM 1264 OD1 ASP A 85 20.154 23.030 -28.080 1.00 0.00 O ATOM 1265 OD2 ASP A 85 19.519 21.626 -26.524 1.00 0.00 O ATOM 0 H ASP A 85 20.928 18.136 -29.707 1.00 0.00 H new ATOM 0 HA ASP A 85 21.862 20.803 -29.088 1.00 0.00 H new ATOM 0 HB2 ASP A 85 19.425 21.168 -29.714 1.00 0.00 H new ATOM 0 HB3 ASP A 85 18.972 20.036 -28.455 1.00 0.00 H new ATOM 1270 N LYS A 86 22.006 19.991 -26.610 1.00 0.00 N ATOM 1271 CA LYS A 86 22.365 19.406 -25.316 1.00 0.00 C ATOM 1272 C LYS A 86 21.157 18.885 -24.526 1.00 0.00 C ATOM 1273 O LYS A 86 21.361 18.060 -23.635 1.00 0.00 O ATOM 1274 CB LYS A 86 23.145 20.428 -24.467 1.00 0.00 C ATOM 1275 CG LYS A 86 24.451 20.946 -25.099 1.00 0.00 C ATOM 1276 CD LYS A 86 25.475 19.837 -25.384 1.00 0.00 C ATOM 1277 CE LYS A 86 26.787 20.456 -25.886 1.00 0.00 C ATOM 1278 NZ LYS A 86 27.825 19.431 -26.166 1.00 0.00 N ATOM 0 H LYS A 86 22.246 20.979 -26.688 1.00 0.00 H new ATOM 0 HA LYS A 86 22.993 18.542 -25.534 1.00 0.00 H new ATOM 0 HB2 LYS A 86 22.495 21.280 -24.265 1.00 0.00 H new ATOM 0 HB3 LYS A 86 23.381 19.972 -23.505 1.00 0.00 H new ATOM 0 HG2 LYS A 86 24.216 21.460 -26.031 1.00 0.00 H new ATOM 0 HG3 LYS A 86 24.901 21.682 -24.433 1.00 0.00 H new ATOM 0 HD2 LYS A 86 25.659 19.258 -24.479 1.00 0.00 H new ATOM 0 HD3 LYS A 86 25.079 19.147 -26.129 1.00 0.00 H new ATOM 0 HE2 LYS A 86 26.592 21.029 -26.793 1.00 0.00 H new ATOM 0 HE3 LYS A 86 27.164 21.157 -25.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 28.692 19.897 -26.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 28.032 18.900 -25.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 27.479 18.777 -26.896 1.00 0.00 H new ATOM 1292 N LYS A 87 19.931 19.342 -24.823 1.00 0.00 N ATOM 1293 CA LYS A 87 18.680 18.835 -24.249 1.00 0.00 C ATOM 1294 C LYS A 87 18.720 17.309 -24.234 1.00 0.00 C ATOM 1295 O LYS A 87 18.924 16.707 -25.290 1.00 0.00 O ATOM 1296 CB LYS A 87 17.510 19.365 -25.097 1.00 0.00 C ATOM 1297 CG LYS A 87 16.128 19.012 -24.524 1.00 0.00 C ATOM 1298 CD LYS A 87 14.976 19.448 -25.444 1.00 0.00 C ATOM 1299 CE LYS A 87 14.954 20.968 -25.680 1.00 0.00 C ATOM 1300 NZ LYS A 87 13.837 21.389 -26.561 1.00 0.00 N ATOM 0 H LYS A 87 19.781 20.098 -25.491 1.00 0.00 H new ATOM 0 HA LYS A 87 18.549 19.176 -23.222 1.00 0.00 H new ATOM 0 HB2 LYS A 87 17.594 20.449 -25.181 1.00 0.00 H new ATOM 0 HB3 LYS A 87 17.590 18.960 -26.106 1.00 0.00 H new ATOM 0 HG2 LYS A 87 16.071 17.936 -24.362 1.00 0.00 H new ATOM 0 HG3 LYS A 87 16.010 19.488 -23.551 1.00 0.00 H new ATOM 0 HD2 LYS A 87 15.067 18.936 -26.402 1.00 0.00 H new ATOM 0 HD3 LYS A 87 14.028 19.138 -25.005 1.00 0.00 H new ATOM 0 HE2 LYS A 87 14.870 21.480 -24.722 1.00 0.00 H new ATOM 0 HE3 LYS A 87 15.900 21.277 -26.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.038 22.333 -26.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 13.735 20.709 -27.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.955 21.421 -26.012 1.00 0.00 H new ATOM 1314 N ILE A 88 18.568 16.681 -23.067 1.00 0.00 N ATOM 1315 CA ILE A 88 18.664 15.229 -22.974 1.00 0.00 C ATOM 1316 C ILE A 88 17.338 14.554 -23.343 1.00 0.00 C ATOM 1317 O ILE A 88 16.269 15.168 -23.339 1.00 0.00 O ATOM 1318 CB ILE A 88 19.291 14.736 -21.647 1.00 0.00 C ATOM 1319 CG1 ILE A 88 18.468 14.947 -20.358 1.00 0.00 C ATOM 1320 CG2 ILE A 88 20.734 15.250 -21.496 1.00 0.00 C ATOM 1321 CD1 ILE A 88 18.410 16.374 -19.793 1.00 0.00 C ATOM 0 H ILE A 88 18.380 17.152 -22.182 1.00 0.00 H new ATOM 0 HA ILE A 88 19.382 14.906 -23.728 1.00 0.00 H new ATOM 0 HB ILE A 88 19.292 13.651 -21.751 1.00 0.00 H new ATOM 0 HG12 ILE A 88 17.447 14.617 -20.550 1.00 0.00 H new ATOM 0 HG13 ILE A 88 18.874 14.293 -19.586 1.00 0.00 H new ATOM 0 HG21 ILE A 88 21.152 14.890 -20.556 1.00 0.00 H new ATOM 0 HG22 ILE A 88 21.339 14.885 -22.326 1.00 0.00 H new ATOM 0 HG23 ILE A 88 20.734 16.340 -21.499 1.00 0.00 H new ATOM 0 HD11 ILE A 88 17.801 16.383 -18.889 1.00 0.00 H new ATOM 0 HD12 ILE A 88 19.418 16.712 -19.555 1.00 0.00 H new ATOM 0 HD13 ILE A 88 17.969 17.041 -20.534 1.00 0.00 H new ATOM 1333 N HIS A 89 17.434 13.270 -23.676 1.00 0.00 N ATOM 1334 CA HIS A 89 16.395 12.440 -24.252 1.00 0.00 C ATOM 1335 C HIS A 89 16.522 11.060 -23.609 1.00 0.00 C ATOM 1336 O HIS A 89 17.644 10.593 -23.397 1.00 0.00 O ATOM 1337 CB HIS A 89 16.643 12.380 -25.766 1.00 0.00 C ATOM 1338 CG HIS A 89 15.613 11.603 -26.543 1.00 0.00 C ATOM 1339 ND1 HIS A 89 14.470 12.119 -27.101 1.00 0.00 N ATOM 1340 CD2 HIS A 89 15.682 10.286 -26.910 1.00 0.00 C ATOM 1341 CE1 HIS A 89 13.863 11.142 -27.793 1.00 0.00 C ATOM 1342 NE2 HIS A 89 14.563 9.997 -27.699 1.00 0.00 N ATOM 0 H HIS A 89 18.302 12.752 -23.539 1.00 0.00 H new ATOM 0 HA HIS A 89 15.391 12.826 -24.077 1.00 0.00 H new ATOM 0 HB2 HIS A 89 16.680 13.398 -26.155 1.00 0.00 H new ATOM 0 HB3 HIS A 89 17.623 11.936 -25.942 1.00 0.00 H new ATOM 0 HD2 HIS A 89 16.463 9.592 -26.638 1.00 0.00 H new ATOM 0 HE1 HIS A 89 12.943 11.259 -28.347 1.00 0.00 H new ATOM 0 HE2 HIS A 89 14.326 9.098 -28.119 1.00 0.00 H new ATOM 1350 N VAL A 90 15.400 10.410 -23.298 1.00 0.00 N ATOM 1351 CA VAL A 90 15.340 9.188 -22.497 1.00 0.00 C ATOM 1352 C VAL A 90 14.869 8.055 -23.411 1.00 0.00 C ATOM 1353 O VAL A 90 13.891 8.219 -24.140 1.00 0.00 O ATOM 1354 CB VAL A 90 14.380 9.405 -21.302 1.00 0.00 C ATOM 1355 CG1 VAL A 90 14.464 8.239 -20.308 1.00 0.00 C ATOM 1356 CG2 VAL A 90 14.642 10.718 -20.537 1.00 0.00 C ATOM 0 H VAL A 90 14.481 10.729 -23.606 1.00 0.00 H new ATOM 0 HA VAL A 90 16.316 8.929 -22.086 1.00 0.00 H new ATOM 0 HB VAL A 90 13.384 9.462 -21.741 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.779 8.418 -19.479 1.00 0.00 H new ATOM 0 HG12 VAL A 90 14.190 7.312 -20.811 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.482 8.158 -19.927 1.00 0.00 H new ATOM 0 HG21 VAL A 90 13.934 10.806 -19.713 1.00 0.00 H new ATOM 0 HG22 VAL A 90 15.658 10.713 -20.143 1.00 0.00 H new ATOM 0 HG23 VAL A 90 14.519 11.564 -21.213 1.00 0.00 H new ATOM 1366 N TYR A 91 15.569 6.922 -23.435 1.00 0.00 N ATOM 1367 CA TYR A 91 15.321 5.876 -24.421 1.00 0.00 C ATOM 1368 C TYR A 91 15.878 4.529 -23.942 1.00 0.00 C ATOM 1369 O TYR A 91 16.401 4.424 -22.830 1.00 0.00 O ATOM 1370 CB TYR A 91 15.949 6.320 -25.755 1.00 0.00 C ATOM 1371 CG TYR A 91 17.464 6.395 -25.744 1.00 0.00 C ATOM 1372 CD1 TYR A 91 18.125 7.552 -25.289 1.00 0.00 C ATOM 1373 CD2 TYR A 91 18.215 5.290 -26.175 1.00 0.00 C ATOM 1374 CE1 TYR A 91 19.529 7.608 -25.284 1.00 0.00 C ATOM 1375 CE2 TYR A 91 19.616 5.345 -26.188 1.00 0.00 C ATOM 1376 CZ TYR A 91 20.286 6.508 -25.746 1.00 0.00 C ATOM 1377 OH TYR A 91 21.647 6.559 -25.772 1.00 0.00 O ATOM 0 H TYR A 91 16.318 6.706 -22.777 1.00 0.00 H new ATOM 0 HA TYR A 91 14.250 5.731 -24.560 1.00 0.00 H new ATOM 0 HB2 TYR A 91 15.638 5.627 -26.537 1.00 0.00 H new ATOM 0 HB3 TYR A 91 15.551 7.299 -26.021 1.00 0.00 H new ATOM 0 HD1 TYR A 91 17.551 8.399 -24.943 1.00 0.00 H new ATOM 0 HD2 TYR A 91 17.710 4.392 -26.499 1.00 0.00 H new ATOM 0 HE1 TYR A 91 20.031 8.495 -24.926 1.00 0.00 H new ATOM 0 HE2 TYR A 91 20.185 4.496 -26.537 1.00 0.00 H new ATOM 0 HH TYR A 91 21.950 7.408 -25.388 1.00 0.00 H new ATOM 1387 N GLY A 92 15.818 3.503 -24.794 1.00 0.00 N ATOM 1388 CA GLY A 92 16.487 2.235 -24.549 1.00 0.00 C ATOM 1389 C GLY A 92 15.771 1.397 -23.494 1.00 0.00 C ATOM 1390 O GLY A 92 14.584 1.597 -23.222 1.00 0.00 O ATOM 0 H GLY A 92 15.302 3.534 -25.673 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.544 1.671 -25.480 1.00 0.00 H new ATOM 0 HA3 GLY A 92 17.511 2.423 -24.227 1.00 0.00 H new ATOM 1394 N TYR A 93 16.489 0.424 -22.930 1.00 0.00 N ATOM 1395 CA TYR A 93 15.978 -0.486 -21.914 1.00 0.00 C ATOM 1396 C TYR A 93 17.124 -0.947 -21.014 1.00 0.00 C ATOM 1397 O TYR A 93 18.275 -1.005 -21.458 1.00 0.00 O ATOM 1398 CB TYR A 93 15.302 -1.701 -22.577 1.00 0.00 C ATOM 1399 CG TYR A 93 16.217 -2.661 -23.322 1.00 0.00 C ATOM 1400 CD1 TYR A 93 16.734 -2.318 -24.587 1.00 0.00 C ATOM 1401 CD2 TYR A 93 16.539 -3.911 -22.755 1.00 0.00 C ATOM 1402 CE1 TYR A 93 17.587 -3.205 -25.270 1.00 0.00 C ATOM 1403 CE2 TYR A 93 17.383 -4.807 -23.436 1.00 0.00 C ATOM 1404 CZ TYR A 93 17.916 -4.454 -24.697 1.00 0.00 C ATOM 1405 OH TYR A 93 18.738 -5.307 -25.374 1.00 0.00 O ATOM 0 H TYR A 93 17.463 0.246 -23.175 1.00 0.00 H new ATOM 0 HA TYR A 93 15.236 0.036 -21.310 1.00 0.00 H new ATOM 0 HB2 TYR A 93 14.774 -2.262 -21.805 1.00 0.00 H new ATOM 0 HB3 TYR A 93 14.550 -1.334 -23.276 1.00 0.00 H new ATOM 0 HD1 TYR A 93 16.475 -1.370 -25.035 1.00 0.00 H new ATOM 0 HD2 TYR A 93 16.135 -4.183 -21.791 1.00 0.00 H new ATOM 0 HE1 TYR A 93 17.991 -2.931 -26.233 1.00 0.00 H new ATOM 0 HE2 TYR A 93 17.624 -5.764 -22.996 1.00 0.00 H new ATOM 0 HH TYR A 93 18.869 -6.123 -24.847 1.00 0.00 H new ATOM 1415 N SER A 94 16.820 -1.287 -19.762 1.00 0.00 N ATOM 1416 CA SER A 94 17.772 -1.947 -18.883 1.00 0.00 C ATOM 1417 C SER A 94 17.799 -3.428 -19.247 1.00 0.00 C ATOM 1418 O SER A 94 16.743 -4.056 -19.320 1.00 0.00 O ATOM 1419 CB SER A 94 17.343 -1.766 -17.429 1.00 0.00 C ATOM 1420 OG SER A 94 17.506 -0.413 -17.063 1.00 0.00 O ATOM 0 H SER A 94 15.911 -1.112 -19.334 1.00 0.00 H new ATOM 0 HA SER A 94 18.766 -1.515 -19.001 1.00 0.00 H new ATOM 0 HB2 SER A 94 16.303 -2.066 -17.304 1.00 0.00 H new ATOM 0 HB3 SER A 94 17.940 -2.406 -16.779 1.00 0.00 H new ATOM 0 HG SER A 94 17.385 -0.319 -16.095 1.00 0.00 H new ATOM 1426 N MET A 95 18.984 -4.009 -19.435 1.00 0.00 N ATOM 1427 CA MET A 95 19.128 -5.406 -19.838 1.00 0.00 C ATOM 1428 C MET A 95 18.506 -6.352 -18.800 1.00 0.00 C ATOM 1429 O MET A 95 17.925 -7.375 -19.165 1.00 0.00 O ATOM 1430 CB MET A 95 20.620 -5.705 -20.064 1.00 0.00 C ATOM 1431 CG MET A 95 20.887 -7.101 -20.640 1.00 0.00 C ATOM 1432 SD MET A 95 20.154 -7.413 -22.272 1.00 0.00 S ATOM 1433 CE MET A 95 20.707 -9.121 -22.529 1.00 0.00 C ATOM 0 H MET A 95 19.872 -3.522 -19.312 1.00 0.00 H new ATOM 0 HA MET A 95 18.588 -5.575 -20.770 1.00 0.00 H new ATOM 0 HB2 MET A 95 21.033 -4.957 -20.741 1.00 0.00 H new ATOM 0 HB3 MET A 95 21.149 -5.605 -19.116 1.00 0.00 H new ATOM 0 HG2 MET A 95 21.965 -7.249 -20.709 1.00 0.00 H new ATOM 0 HG3 MET A 95 20.507 -7.845 -19.940 1.00 0.00 H new ATOM 0 HE1 MET A 95 20.345 -9.480 -23.492 1.00 0.00 H new ATOM 0 HE2 MET A 95 21.796 -9.157 -22.515 1.00 0.00 H new ATOM 0 HE3 MET A 95 20.313 -9.755 -21.734 1.00 0.00 H new ATOM 1443 N ALA A 96 18.602 -6.001 -17.510 1.00 0.00 N ATOM 1444 CA ALA A 96 18.144 -6.846 -16.410 1.00 0.00 C ATOM 1445 C ALA A 96 16.704 -6.547 -15.969 1.00 0.00 C ATOM 1446 O ALA A 96 16.110 -7.385 -15.289 1.00 0.00 O ATOM 1447 CB ALA A 96 19.090 -6.671 -15.214 1.00 0.00 C ATOM 0 H ALA A 96 19.004 -5.115 -17.203 1.00 0.00 H new ATOM 0 HA ALA A 96 18.153 -7.874 -16.773 1.00 0.00 H new ATOM 0 HB1 ALA A 96 18.754 -7.299 -14.389 1.00 0.00 H new ATOM 0 HB2 ALA A 96 20.100 -6.962 -15.503 1.00 0.00 H new ATOM 0 HB3 ALA A 96 19.089 -5.627 -14.899 1.00 0.00 H new ATOM 1453 N TYR A 97 16.136 -5.389 -16.339 1.00 0.00 N ATOM 1454 CA TYR A 97 14.861 -4.907 -15.790 1.00 0.00 C ATOM 1455 C TYR A 97 13.835 -4.532 -16.869 1.00 0.00 C ATOM 1456 O TYR A 97 12.686 -4.237 -16.536 1.00 0.00 O ATOM 1457 CB TYR A 97 15.106 -3.713 -14.844 1.00 0.00 C ATOM 1458 CG TYR A 97 16.225 -3.858 -13.819 1.00 0.00 C ATOM 1459 CD1 TYR A 97 16.342 -5.032 -13.047 1.00 0.00 C ATOM 1460 CD2 TYR A 97 17.125 -2.794 -13.602 1.00 0.00 C ATOM 1461 CE1 TYR A 97 17.365 -5.160 -12.093 1.00 0.00 C ATOM 1462 CE2 TYR A 97 18.135 -2.902 -12.629 1.00 0.00 C ATOM 1463 CZ TYR A 97 18.264 -4.092 -11.875 1.00 0.00 C ATOM 1464 OH TYR A 97 19.253 -4.199 -10.944 1.00 0.00 O ATOM 0 H TYR A 97 16.549 -4.760 -17.028 1.00 0.00 H new ATOM 0 HA TYR A 97 14.430 -5.738 -15.232 1.00 0.00 H new ATOM 0 HB2 TYR A 97 15.318 -2.835 -15.455 1.00 0.00 H new ATOM 0 HB3 TYR A 97 14.179 -3.511 -14.307 1.00 0.00 H new ATOM 0 HD1 TYR A 97 15.639 -5.839 -13.190 1.00 0.00 H new ATOM 0 HD2 TYR A 97 17.038 -1.890 -14.187 1.00 0.00 H new ATOM 0 HE1 TYR A 97 17.464 -6.074 -11.527 1.00 0.00 H new ATOM 0 HE2 TYR A 97 18.811 -2.077 -12.458 1.00 0.00 H new ATOM 0 HH TYR A 97 19.525 -5.137 -10.862 1.00 0.00 H new ATOM 1474 N GLY A 98 14.217 -4.557 -18.148 1.00 0.00 N ATOM 1475 CA GLY A 98 13.368 -4.144 -19.255 1.00 0.00 C ATOM 1476 C GLY A 98 13.248 -2.618 -19.352 1.00 0.00 C ATOM 1477 O GLY A 98 13.838 -1.885 -18.546 1.00 0.00 O ATOM 0 H GLY A 98 15.142 -4.871 -18.443 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.774 -4.535 -20.188 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.376 -4.578 -19.132 1.00 0.00 H new ATOM 1481 N PRO A 99 12.519 -2.118 -20.363 1.00 0.00 N ATOM 1482 CA PRO A 99 12.284 -0.695 -20.531 1.00 0.00 C ATOM 1483 C PRO A 99 11.340 -0.193 -19.438 1.00 0.00 C ATOM 1484 O PRO A 99 10.320 -0.820 -19.136 1.00 0.00 O ATOM 1485 CB PRO A 99 11.672 -0.537 -21.927 1.00 0.00 C ATOM 1486 CG PRO A 99 10.987 -1.879 -22.179 1.00 0.00 C ATOM 1487 CD PRO A 99 11.855 -2.880 -21.414 1.00 0.00 C ATOM 0 HA PRO A 99 13.199 -0.108 -20.445 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.960 0.288 -21.961 1.00 0.00 H new ATOM 0 HB3 PRO A 99 12.435 -0.330 -22.677 1.00 0.00 H new ATOM 0 HG2 PRO A 99 9.960 -1.879 -21.814 1.00 0.00 H new ATOM 0 HG3 PRO A 99 10.947 -2.115 -23.242 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.247 -3.680 -20.991 1.00 0.00 H new ATOM 0 HD3 PRO A 99 12.584 -3.349 -22.075 1.00 0.00 H new ATOM 1495 N ALA A 100 11.680 0.951 -18.851 1.00 0.00 N ATOM 1496 CA ALA A 100 10.787 1.675 -17.961 1.00 0.00 C ATOM 1497 C ALA A 100 9.683 2.365 -18.768 1.00 0.00 C ATOM 1498 O ALA A 100 9.754 2.469 -19.997 1.00 0.00 O ATOM 1499 CB ALA A 100 11.597 2.760 -17.257 1.00 0.00 C ATOM 0 H ALA A 100 12.586 1.401 -18.982 1.00 0.00 H new ATOM 0 HA ALA A 100 10.342 0.979 -17.250 1.00 0.00 H new ATOM 0 HB1 ALA A 100 10.948 3.318 -16.582 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.404 2.299 -16.686 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.019 3.438 -17.999 1.00 0.00 H new ATOM 1505 N GLN A 101 8.677 2.891 -18.064 1.00 0.00 N ATOM 1506 CA GLN A 101 7.699 3.786 -18.657 1.00 0.00 C ATOM 1507 C GLN A 101 8.390 5.148 -18.710 1.00 0.00 C ATOM 1508 O GLN A 101 8.220 5.967 -17.807 1.00 0.00 O ATOM 1509 CB GLN A 101 6.405 3.854 -17.831 1.00 0.00 C ATOM 1510 CG GLN A 101 5.571 2.572 -17.829 1.00 0.00 C ATOM 1511 CD GLN A 101 5.170 2.112 -19.232 1.00 0.00 C ATOM 1512 OE1 GLN A 101 5.726 1.160 -19.775 1.00 0.00 O ATOM 1513 NE2 GLN A 101 4.213 2.776 -19.859 1.00 0.00 N ATOM 0 H GLN A 101 8.524 2.705 -17.073 1.00 0.00 H new ATOM 0 HA GLN A 101 7.392 3.440 -19.644 1.00 0.00 H new ATOM 0 HB2 GLN A 101 6.662 4.104 -16.802 1.00 0.00 H new ATOM 0 HB3 GLN A 101 5.790 4.669 -18.213 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.137 1.778 -17.341 1.00 0.00 H new ATOM 0 HG3 GLN A 101 4.671 2.732 -17.235 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.756 3.565 -19.402 1.00 0.00 H new ATOM 0 HE22 GLN A 101 3.932 2.499 -20.800 1.00 0.00 H new ATOM 1522 N HIS A 102 9.207 5.390 -19.735 1.00 0.00 N ATOM 1523 CA HIS A 102 9.957 6.639 -19.877 1.00 0.00 C ATOM 1524 C HIS A 102 9.042 7.875 -19.920 1.00 0.00 C ATOM 1525 O HIS A 102 9.504 8.979 -19.646 1.00 0.00 O ATOM 1526 CB HIS A 102 10.871 6.554 -21.103 1.00 0.00 C ATOM 1527 CG HIS A 102 11.807 5.373 -21.038 1.00 0.00 C ATOM 1528 ND1 HIS A 102 11.738 4.209 -21.774 1.00 0.00 N ATOM 1529 CD2 HIS A 102 12.790 5.196 -20.106 1.00 0.00 C ATOM 1530 CE1 HIS A 102 12.656 3.359 -21.279 1.00 0.00 C ATOM 1531 NE2 HIS A 102 13.339 3.923 -20.274 1.00 0.00 N ATOM 0 H HIS A 102 9.368 4.725 -20.492 1.00 0.00 H new ATOM 0 HA HIS A 102 10.576 6.767 -18.989 1.00 0.00 H new ATOM 0 HB2 HIS A 102 10.261 6.483 -22.004 1.00 0.00 H new ATOM 0 HB3 HIS A 102 11.453 7.472 -21.184 1.00 0.00 H new ATOM 0 HD2 HIS A 102 13.092 5.920 -19.363 1.00 0.00 H new ATOM 0 HE1 HIS A 102 12.820 2.356 -21.643 1.00 0.00 H new ATOM 0 HE2 HIS A 102 14.103 3.508 -19.741 1.00 0.00 H new ATOM 1539 N ALA A 103 7.746 7.687 -20.202 1.00 0.00 N ATOM 1540 CA ALA A 103 6.716 8.708 -20.068 1.00 0.00 C ATOM 1541 C ALA A 103 6.656 9.277 -18.639 1.00 0.00 C ATOM 1542 O ALA A 103 6.449 10.478 -18.462 1.00 0.00 O ATOM 1543 CB ALA A 103 5.367 8.077 -20.436 1.00 0.00 C ATOM 0 H ALA A 103 7.383 6.795 -20.538 1.00 0.00 H new ATOM 0 HA ALA A 103 6.952 9.538 -20.734 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.579 8.824 -20.343 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.403 7.714 -21.463 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.159 7.244 -19.764 1.00 0.00 H new ATOM 1549 N ILE A 104 6.835 8.430 -17.615 1.00 0.00 N ATOM 1550 CA ILE A 104 6.900 8.861 -16.220 1.00 0.00 C ATOM 1551 C ILE A 104 8.118 9.773 -16.081 1.00 0.00 C ATOM 1552 O ILE A 104 8.002 10.877 -15.554 1.00 0.00 O ATOM 1553 CB ILE A 104 7.012 7.651 -15.255 1.00 0.00 C ATOM 1554 CG1 ILE A 104 5.909 6.584 -15.444 1.00 0.00 C ATOM 1555 CG2 ILE A 104 7.055 8.120 -13.788 1.00 0.00 C ATOM 1556 CD1 ILE A 104 4.518 6.962 -14.935 1.00 0.00 C ATOM 0 H ILE A 104 6.939 7.423 -17.737 1.00 0.00 H new ATOM 0 HA ILE A 104 5.986 9.391 -15.952 1.00 0.00 H new ATOM 0 HB ILE A 104 7.952 7.162 -15.513 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.835 6.351 -16.506 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.224 5.671 -14.938 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.134 7.254 -13.131 1.00 0.00 H new ATOM 0 HG22 ILE A 104 7.918 8.768 -13.638 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.143 8.670 -13.555 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.827 6.140 -15.120 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.564 7.163 -13.865 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.169 7.853 -15.457 1.00 0.00 H new ATOM 1568 N SER A 105 9.272 9.320 -16.576 1.00 0.00 N ATOM 1569 CA SER A 105 10.531 10.028 -16.461 1.00 0.00 C ATOM 1570 C SER A 105 10.434 11.428 -17.048 1.00 0.00 C ATOM 1571 O SER A 105 10.759 12.389 -16.358 1.00 0.00 O ATOM 1572 CB SER A 105 11.622 9.231 -17.166 1.00 0.00 C ATOM 1573 OG SER A 105 11.555 7.879 -16.756 1.00 0.00 O ATOM 0 H SER A 105 9.350 8.434 -17.075 1.00 0.00 H new ATOM 0 HA SER A 105 10.778 10.132 -15.404 1.00 0.00 H new ATOM 0 HB2 SER A 105 11.498 9.301 -18.247 1.00 0.00 H new ATOM 0 HB3 SER A 105 12.602 9.646 -16.929 1.00 0.00 H new ATOM 0 HG SER A 105 11.989 7.780 -15.883 1.00 0.00 H new ATOM 1579 N THR A 106 9.971 11.561 -18.290 1.00 0.00 N ATOM 1580 CA THR A 106 9.878 12.860 -18.936 1.00 0.00 C ATOM 1581 C THR A 106 8.921 13.780 -18.180 1.00 0.00 C ATOM 1582 O THR A 106 9.281 14.932 -17.940 1.00 0.00 O ATOM 1583 CB THR A 106 9.503 12.713 -20.418 1.00 0.00 C ATOM 1584 OG1 THR A 106 8.415 11.825 -20.584 1.00 0.00 O ATOM 1585 CG2 THR A 106 10.691 12.174 -21.218 1.00 0.00 C ATOM 0 H THR A 106 9.655 10.781 -18.866 1.00 0.00 H new ATOM 0 HA THR A 106 10.860 13.331 -18.905 1.00 0.00 H new ATOM 0 HB THR A 106 9.222 13.702 -20.781 1.00 0.00 H new ATOM 0 HG1 THR A 106 8.196 11.751 -21.536 1.00 0.00 H new ATOM 0 HG21 THR A 106 10.409 12.076 -22.266 1.00 0.00 H new ATOM 0 HG22 THR A 106 11.531 12.863 -21.131 1.00 0.00 H new ATOM 0 HG23 THR A 106 10.980 11.199 -20.827 1.00 0.00 H new ATOM 1593 N GLU A 107 7.753 13.298 -17.741 1.00 0.00 N ATOM 1594 CA GLU A 107 6.823 14.118 -16.975 1.00 0.00 C ATOM 1595 C GLU A 107 7.465 14.588 -15.665 1.00 0.00 C ATOM 1596 O GLU A 107 7.424 15.781 -15.359 1.00 0.00 O ATOM 1597 CB GLU A 107 5.508 13.365 -16.711 1.00 0.00 C ATOM 1598 CG GLU A 107 4.605 13.347 -17.955 1.00 0.00 C ATOM 1599 CD GLU A 107 3.248 12.675 -17.669 1.00 0.00 C ATOM 1600 OE1 GLU A 107 2.395 13.286 -16.985 1.00 0.00 O ATOM 1601 OE2 GLU A 107 2.995 11.550 -18.154 1.00 0.00 O ATOM 0 H GLU A 107 7.434 12.343 -17.906 1.00 0.00 H new ATOM 0 HA GLU A 107 6.584 15.001 -17.568 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.729 12.342 -16.407 1.00 0.00 H new ATOM 0 HB3 GLU A 107 4.978 13.836 -15.883 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.439 14.368 -18.298 1.00 0.00 H new ATOM 0 HG3 GLU A 107 5.110 12.817 -18.763 1.00 0.00 H new ATOM 1608 N LYS A 108 8.096 13.683 -14.907 1.00 0.00 N ATOM 1609 CA LYS A 108 8.726 14.034 -13.636 1.00 0.00 C ATOM 1610 C LYS A 108 9.886 15.004 -13.850 1.00 0.00 C ATOM 1611 O LYS A 108 9.966 16.010 -13.145 1.00 0.00 O ATOM 1612 CB LYS A 108 9.207 12.768 -12.904 1.00 0.00 C ATOM 1613 CG LYS A 108 8.112 11.879 -12.290 1.00 0.00 C ATOM 1614 CD LYS A 108 7.170 12.660 -11.361 1.00 0.00 C ATOM 1615 CE LYS A 108 6.497 11.783 -10.297 1.00 0.00 C ATOM 1616 NZ LYS A 108 7.429 11.387 -9.214 1.00 0.00 N ATOM 0 H LYS A 108 8.182 12.698 -15.157 1.00 0.00 H new ATOM 0 HA LYS A 108 7.981 14.531 -13.015 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.784 12.165 -13.606 1.00 0.00 H new ATOM 0 HB3 LYS A 108 9.888 13.070 -12.109 1.00 0.00 H new ATOM 0 HG2 LYS A 108 7.530 11.421 -13.090 1.00 0.00 H new ATOM 0 HG3 LYS A 108 8.579 11.068 -11.730 1.00 0.00 H new ATOM 0 HD2 LYS A 108 7.734 13.451 -10.866 1.00 0.00 H new ATOM 0 HD3 LYS A 108 6.400 13.145 -11.961 1.00 0.00 H new ATOM 0 HE2 LYS A 108 5.654 12.323 -9.867 1.00 0.00 H new ATOM 0 HE3 LYS A 108 6.094 10.888 -10.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 7.619 10.366 -9.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 8.321 11.912 -9.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 7.002 11.605 -8.291 1.00 0.00 H new ATOM 1630 N ILE A 109 10.774 14.736 -14.809 1.00 0.00 N ATOM 1631 CA ILE A 109 11.916 15.597 -15.094 1.00 0.00 C ATOM 1632 C ILE A 109 11.391 16.972 -15.513 1.00 0.00 C ATOM 1633 O ILE A 109 11.837 17.965 -14.949 1.00 0.00 O ATOM 1634 CB ILE A 109 12.856 14.947 -16.142 1.00 0.00 C ATOM 1635 CG1 ILE A 109 13.556 13.679 -15.592 1.00 0.00 C ATOM 1636 CG2 ILE A 109 13.953 15.923 -16.609 1.00 0.00 C ATOM 1637 CD1 ILE A 109 14.144 12.789 -16.701 1.00 0.00 C ATOM 0 H ILE A 109 10.719 13.913 -15.409 1.00 0.00 H new ATOM 0 HA ILE A 109 12.530 15.728 -14.203 1.00 0.00 H new ATOM 0 HB ILE A 109 12.214 14.677 -16.980 1.00 0.00 H new ATOM 0 HG12 ILE A 109 14.354 13.977 -14.912 1.00 0.00 H new ATOM 0 HG13 ILE A 109 12.840 13.099 -15.009 1.00 0.00 H new ATOM 0 HG21 ILE A 109 14.591 15.430 -17.343 1.00 0.00 H new ATOM 0 HG22 ILE A 109 13.491 16.800 -17.061 1.00 0.00 H new ATOM 0 HG23 ILE A 109 14.555 16.230 -15.754 1.00 0.00 H new ATOM 0 HD11 ILE A 109 14.621 11.917 -16.253 1.00 0.00 H new ATOM 0 HD12 ILE A 109 13.346 12.464 -17.368 1.00 0.00 H new ATOM 0 HD13 ILE A 109 14.883 13.355 -17.269 1.00 0.00 H new ATOM 1649 N LYS A 110 10.425 17.075 -16.433 1.00 0.00 N ATOM 1650 CA LYS A 110 9.910 18.384 -16.847 1.00 0.00 C ATOM 1651 C LYS A 110 9.270 19.119 -15.665 1.00 0.00 C ATOM 1652 O LYS A 110 9.463 20.327 -15.538 1.00 0.00 O ATOM 1653 CB LYS A 110 8.922 18.252 -18.019 1.00 0.00 C ATOM 1654 CG LYS A 110 9.641 17.891 -19.332 1.00 0.00 C ATOM 1655 CD LYS A 110 8.693 17.747 -20.531 1.00 0.00 C ATOM 1656 CE LYS A 110 8.067 19.092 -20.937 1.00 0.00 C ATOM 1657 NZ LYS A 110 7.209 18.975 -22.143 1.00 0.00 N ATOM 0 H LYS A 110 9.989 16.279 -16.899 1.00 0.00 H new ATOM 0 HA LYS A 110 10.755 18.978 -17.195 1.00 0.00 H new ATOM 0 HB2 LYS A 110 8.182 17.486 -17.787 1.00 0.00 H new ATOM 0 HB3 LYS A 110 8.381 19.190 -18.146 1.00 0.00 H new ATOM 0 HG2 LYS A 110 10.381 18.660 -19.555 1.00 0.00 H new ATOM 0 HG3 LYS A 110 10.184 16.956 -19.194 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.240 17.332 -21.377 1.00 0.00 H new ATOM 0 HD3 LYS A 110 7.902 17.039 -20.284 1.00 0.00 H new ATOM 0 HE2 LYS A 110 7.474 19.479 -20.108 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.859 19.816 -21.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.810 19.907 -22.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.779 18.632 -22.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.436 18.305 -21.956 1.00 0.00 H new ATOM 1671 N ALA A 111 8.551 18.412 -14.786 1.00 0.00 N ATOM 1672 CA ALA A 111 7.927 19.013 -13.612 1.00 0.00 C ATOM 1673 C ALA A 111 8.967 19.574 -12.635 1.00 0.00 C ATOM 1674 O ALA A 111 8.760 20.659 -12.090 1.00 0.00 O ATOM 1675 CB ALA A 111 7.030 17.986 -12.910 1.00 0.00 C ATOM 0 H ALA A 111 8.388 17.409 -14.872 1.00 0.00 H new ATOM 0 HA ALA A 111 7.317 19.850 -13.952 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.569 18.444 -12.035 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.253 17.652 -13.597 1.00 0.00 H new ATOM 0 HB3 ALA A 111 7.630 17.131 -12.598 1.00 0.00 H new ATOM 1681 N LYS A 112 10.078 18.862 -12.401 1.00 0.00 N ATOM 1682 CA LYS A 112 11.122 19.294 -11.459 1.00 0.00 C ATOM 1683 C LYS A 112 12.177 20.197 -12.117 1.00 0.00 C ATOM 1684 O LYS A 112 12.972 20.823 -11.417 1.00 0.00 O ATOM 1685 CB LYS A 112 11.746 18.080 -10.753 1.00 0.00 C ATOM 1686 CG LYS A 112 10.722 17.286 -9.919 1.00 0.00 C ATOM 1687 CD LYS A 112 9.968 18.116 -8.863 1.00 0.00 C ATOM 1688 CE LYS A 112 9.126 17.282 -7.882 1.00 0.00 C ATOM 1689 NZ LYS A 112 8.136 16.391 -8.542 1.00 0.00 N ATOM 0 H LYS A 112 10.279 17.972 -12.858 1.00 0.00 H new ATOM 0 HA LYS A 112 10.644 19.913 -10.699 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.191 17.421 -11.498 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.554 18.418 -10.104 1.00 0.00 H new ATOM 0 HG2 LYS A 112 9.995 16.836 -10.595 1.00 0.00 H new ATOM 0 HG3 LYS A 112 11.239 16.468 -9.417 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.691 18.702 -8.295 1.00 0.00 H new ATOM 0 HD3 LYS A 112 9.314 18.823 -9.373 1.00 0.00 H new ATOM 0 HE2 LYS A 112 9.794 16.676 -7.270 1.00 0.00 H new ATOM 0 HE3 LYS A 112 8.599 17.956 -7.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 7.292 16.305 -7.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 7.866 16.793 -9.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.557 15.451 -8.685 1.00 0.00 H new ATOM 1703 N TYR A 113 12.179 20.254 -13.450 1.00 0.00 N ATOM 1704 CA TYR A 113 13.091 20.975 -14.326 1.00 0.00 C ATOM 1705 C TYR A 113 14.591 20.912 -13.959 1.00 0.00 C ATOM 1706 O TYR A 113 15.225 21.963 -13.830 1.00 0.00 O ATOM 1707 CB TYR A 113 12.543 22.380 -14.660 1.00 0.00 C ATOM 1708 CG TYR A 113 12.174 23.272 -13.482 1.00 0.00 C ATOM 1709 CD1 TYR A 113 10.872 23.216 -12.947 1.00 0.00 C ATOM 1710 CD2 TYR A 113 13.112 24.169 -12.936 1.00 0.00 C ATOM 1711 CE1 TYR A 113 10.515 24.029 -11.856 1.00 0.00 C ATOM 1712 CE2 TYR A 113 12.763 24.989 -11.847 1.00 0.00 C ATOM 1713 CZ TYR A 113 11.461 24.919 -11.298 1.00 0.00 C ATOM 1714 OH TYR A 113 11.105 25.702 -10.241 1.00 0.00 O ATOM 0 H TYR A 113 11.476 19.748 -13.989 1.00 0.00 H new ATOM 0 HA TYR A 113 13.107 20.415 -15.261 1.00 0.00 H new ATOM 0 HB2 TYR A 113 13.289 22.901 -15.260 1.00 0.00 H new ATOM 0 HB3 TYR A 113 11.658 22.260 -15.285 1.00 0.00 H new ATOM 0 HD1 TYR A 113 10.143 22.545 -13.377 1.00 0.00 H new ATOM 0 HD2 TYR A 113 14.105 24.228 -13.356 1.00 0.00 H new ATOM 0 HE1 TYR A 113 9.518 23.973 -11.445 1.00 0.00 H new ATOM 0 HE2 TYR A 113 13.489 25.672 -11.430 1.00 0.00 H new ATOM 0 HH TYR A 113 11.867 26.257 -9.974 1.00 0.00 H new ATOM 1724 N PRO A 114 15.209 19.716 -13.794 1.00 0.00 N ATOM 1725 CA PRO A 114 16.669 19.602 -13.697 1.00 0.00 C ATOM 1726 C PRO A 114 17.352 20.222 -14.932 1.00 0.00 C ATOM 1727 O PRO A 114 18.471 20.734 -14.849 1.00 0.00 O ATOM 1728 CB PRO A 114 16.981 18.101 -13.625 1.00 0.00 C ATOM 1729 CG PRO A 114 15.674 17.466 -13.174 1.00 0.00 C ATOM 1730 CD PRO A 114 14.618 18.388 -13.775 1.00 0.00 C ATOM 0 HA PRO A 114 17.041 20.134 -12.821 1.00 0.00 H new ATOM 0 HB2 PRO A 114 17.298 17.714 -14.593 1.00 0.00 H new ATOM 0 HB3 PRO A 114 17.787 17.896 -12.920 1.00 0.00 H new ATOM 0 HG2 PRO A 114 15.574 16.445 -13.541 1.00 0.00 H new ATOM 0 HG3 PRO A 114 15.600 17.423 -12.087 1.00 0.00 H new ATOM 0 HD2 PRO A 114 14.347 18.067 -14.781 1.00 0.00 H new ATOM 0 HD3 PRO A 114 13.705 18.376 -13.180 1.00 0.00 H new ATOM 1738 N ASP A 115 16.654 20.183 -16.071 1.00 0.00 N ATOM 1739 CA ASP A 115 16.942 20.865 -17.326 1.00 0.00 C ATOM 1740 C ASP A 115 15.587 21.376 -17.837 1.00 0.00 C ATOM 1741 O ASP A 115 14.540 20.910 -17.371 1.00 0.00 O ATOM 1742 CB ASP A 115 17.621 19.915 -18.328 1.00 0.00 C ATOM 1743 CG ASP A 115 18.070 20.617 -19.627 1.00 0.00 C ATOM 1744 OD1 ASP A 115 18.219 21.860 -19.639 1.00 0.00 O ATOM 1745 OD2 ASP A 115 18.312 19.914 -20.633 1.00 0.00 O ATOM 0 H ASP A 115 15.803 19.625 -16.139 1.00 0.00 H new ATOM 0 HA ASP A 115 17.642 21.690 -17.192 1.00 0.00 H new ATOM 0 HB2 ASP A 115 18.488 19.456 -17.853 1.00 0.00 H new ATOM 0 HB3 ASP A 115 16.931 19.109 -18.579 1.00 0.00 H new ATOM 1750 N TYR A 116 15.585 22.346 -18.749 1.00 0.00 N ATOM 1751 CA TYR A 116 14.385 23.074 -19.158 1.00 0.00 C ATOM 1752 C TYR A 116 13.311 22.174 -19.783 1.00 0.00 C ATOM 1753 O TYR A 116 12.120 22.443 -19.615 1.00 0.00 O ATOM 1754 CB TYR A 116 14.770 24.198 -20.130 1.00 0.00 C ATOM 1755 CG TYR A 116 15.704 25.239 -19.535 1.00 0.00 C ATOM 1756 CD1 TYR A 116 15.196 26.220 -18.661 1.00 0.00 C ATOM 1757 CD2 TYR A 116 17.078 25.223 -19.845 1.00 0.00 C ATOM 1758 CE1 TYR A 116 16.054 27.181 -18.097 1.00 0.00 C ATOM 1759 CE2 TYR A 116 17.942 26.181 -19.285 1.00 0.00 C ATOM 1760 CZ TYR A 116 17.434 27.166 -18.407 1.00 0.00 C ATOM 1761 OH TYR A 116 18.281 28.089 -17.871 1.00 0.00 O ATOM 0 H TYR A 116 16.429 22.653 -19.232 1.00 0.00 H new ATOM 0 HA TYR A 116 13.943 23.493 -18.254 1.00 0.00 H new ATOM 0 HB2 TYR A 116 15.245 23.759 -21.007 1.00 0.00 H new ATOM 0 HB3 TYR A 116 13.862 24.694 -20.473 1.00 0.00 H new ATOM 0 HD1 TYR A 116 14.143 26.234 -18.423 1.00 0.00 H new ATOM 0 HD2 TYR A 116 17.469 24.472 -20.515 1.00 0.00 H new ATOM 0 HE1 TYR A 116 15.659 27.931 -17.427 1.00 0.00 H new ATOM 0 HE2 TYR A 116 18.995 26.164 -19.526 1.00 0.00 H new ATOM 0 HH TYR A 116 19.191 27.924 -18.195 1.00 0.00 H new ATOM 1771 N GLU A 117 13.708 21.118 -20.497 1.00 0.00 N ATOM 1772 CA GLU A 117 12.813 20.173 -21.154 1.00 0.00 C ATOM 1773 C GLU A 117 13.589 18.868 -21.384 1.00 0.00 C ATOM 1774 O GLU A 117 14.821 18.878 -21.378 1.00 0.00 O ATOM 1775 CB GLU A 117 12.320 20.793 -22.479 1.00 0.00 C ATOM 1776 CG GLU A 117 11.326 19.916 -23.256 1.00 0.00 C ATOM 1777 CD GLU A 117 10.667 20.683 -24.410 1.00 0.00 C ATOM 1778 OE1 GLU A 117 11.359 20.965 -25.416 1.00 0.00 O ATOM 1779 OE2 GLU A 117 9.457 20.992 -24.327 1.00 0.00 O ATOM 0 H GLU A 117 14.693 20.893 -20.636 1.00 0.00 H new ATOM 0 HA GLU A 117 11.937 19.954 -20.543 1.00 0.00 H new ATOM 0 HB2 GLU A 117 11.849 21.753 -22.265 1.00 0.00 H new ATOM 0 HB3 GLU A 117 13.182 20.996 -23.115 1.00 0.00 H new ATOM 0 HG2 GLU A 117 11.844 19.042 -23.650 1.00 0.00 H new ATOM 0 HG3 GLU A 117 10.556 19.551 -22.576 1.00 0.00 H new ATOM 1786 N VAL A 118 12.872 17.767 -21.615 1.00 0.00 N ATOM 1787 CA VAL A 118 13.402 16.482 -22.062 1.00 0.00 C ATOM 1788 C VAL A 118 12.372 15.841 -23.001 1.00 0.00 C ATOM 1789 O VAL A 118 11.237 16.318 -23.099 1.00 0.00 O ATOM 1790 CB VAL A 118 13.738 15.555 -20.873 1.00 0.00 C ATOM 1791 CG1 VAL A 118 14.991 16.020 -20.129 1.00 0.00 C ATOM 1792 CG2 VAL A 118 12.587 15.404 -19.868 1.00 0.00 C ATOM 0 H VAL A 118 11.860 17.748 -21.489 1.00 0.00 H new ATOM 0 HA VAL A 118 14.340 16.640 -22.594 1.00 0.00 H new ATOM 0 HB VAL A 118 13.917 14.578 -21.323 1.00 0.00 H new ATOM 0 HG11 VAL A 118 15.194 15.342 -19.300 1.00 0.00 H new ATOM 0 HG12 VAL A 118 15.840 16.022 -20.812 1.00 0.00 H new ATOM 0 HG13 VAL A 118 14.833 17.027 -19.744 1.00 0.00 H new ATOM 0 HG21 VAL A 118 12.894 14.740 -19.060 1.00 0.00 H new ATOM 0 HG22 VAL A 118 12.332 16.381 -19.457 1.00 0.00 H new ATOM 0 HG23 VAL A 118 11.717 14.984 -20.372 1.00 0.00 H new ATOM 1802 N THR A 119 12.754 14.755 -23.669 1.00 0.00 N ATOM 1803 CA THR A 119 11.925 14.012 -24.616 1.00 0.00 C ATOM 1804 C THR A 119 12.201 12.511 -24.432 1.00 0.00 C ATOM 1805 O THR A 119 13.127 12.145 -23.699 1.00 0.00 O ATOM 1806 CB THR A 119 12.228 14.501 -26.050 1.00 0.00 C ATOM 1807 OG1 THR A 119 13.621 14.709 -26.246 1.00 0.00 O ATOM 1808 CG2 THR A 119 11.517 15.811 -26.389 1.00 0.00 C ATOM 0 H THR A 119 13.685 14.353 -23.562 1.00 0.00 H new ATOM 0 HA THR A 119 10.864 14.183 -24.435 1.00 0.00 H new ATOM 0 HB THR A 119 11.861 13.710 -26.705 1.00 0.00 H new ATOM 0 HG1 THR A 119 14.054 13.854 -26.453 1.00 0.00 H new ATOM 0 HG21 THR A 119 11.766 16.107 -27.408 1.00 0.00 H new ATOM 0 HG22 THR A 119 10.439 15.672 -26.305 1.00 0.00 H new ATOM 0 HG23 THR A 119 11.838 16.589 -25.696 1.00 0.00 H new ATOM 1816 N TRP A 120 11.428 11.631 -25.077 1.00 0.00 N ATOM 1817 CA TRP A 120 11.712 10.199 -25.072 1.00 0.00 C ATOM 1818 C TRP A 120 11.324 9.543 -26.389 1.00 0.00 C ATOM 1819 O TRP A 120 10.562 10.113 -27.176 1.00 0.00 O ATOM 1820 CB TRP A 120 10.997 9.467 -23.918 1.00 0.00 C ATOM 1821 CG TRP A 120 9.512 9.274 -24.030 1.00 0.00 C ATOM 1822 CD1 TRP A 120 8.578 10.248 -24.020 1.00 0.00 C ATOM 1823 CD2 TRP A 120 8.765 8.023 -24.170 1.00 0.00 C ATOM 1824 NE1 TRP A 120 7.315 9.696 -24.071 1.00 0.00 N ATOM 1825 CE2 TRP A 120 7.369 8.322 -24.155 1.00 0.00 C ATOM 1826 CE3 TRP A 120 9.123 6.664 -24.307 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 6.385 7.323 -24.228 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 8.146 5.652 -24.361 1.00 0.00 C ATOM 1829 CH2 TRP A 120 6.779 5.977 -24.319 1.00 0.00 C ATOM 0 H TRP A 120 10.598 11.891 -25.610 1.00 0.00 H new ATOM 0 HA TRP A 120 12.789 10.110 -24.930 1.00 0.00 H new ATOM 0 HB2 TRP A 120 11.456 8.484 -23.808 1.00 0.00 H new ATOM 0 HB3 TRP A 120 11.196 10.016 -22.998 1.00 0.00 H new ATOM 0 HD1 TRP A 120 8.789 11.306 -23.978 1.00 0.00 H new ATOM 0 HE1 TRP A 120 6.450 10.237 -24.049 1.00 0.00 H new ATOM 0 HE3 TRP A 120 10.167 6.396 -24.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 5.338 7.586 -24.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 8.449 4.618 -24.435 1.00 0.00 H new ATOM 0 HH2 TRP A 120 6.035 5.196 -24.357 1.00 0.00 H new ATOM 1840 N ALA A 121 11.838 8.332 -26.597 1.00 0.00 N ATOM 1841 CA ALA A 121 11.437 7.434 -27.662 1.00 0.00 C ATOM 1842 C ALA A 121 11.624 6.006 -27.154 1.00 0.00 C ATOM 1843 O ALA A 121 12.589 5.716 -26.445 1.00 0.00 O ATOM 1844 CB ALA A 121 12.275 7.669 -28.925 1.00 0.00 C ATOM 0 H ALA A 121 12.570 7.942 -26.004 1.00 0.00 H new ATOM 0 HA ALA A 121 10.396 7.613 -27.931 1.00 0.00 H new ATOM 0 HB1 ALA A 121 11.953 6.982 -29.708 1.00 0.00 H new ATOM 0 HB2 ALA A 121 12.140 8.696 -29.265 1.00 0.00 H new ATOM 0 HB3 ALA A 121 13.328 7.496 -28.701 1.00 0.00 H new ATOM 1850 N ASN A 122 10.724 5.104 -27.537 1.00 0.00 N ATOM 1851 CA ASN A 122 10.760 3.681 -27.189 1.00 0.00 C ATOM 1852 C ASN A 122 11.708 2.907 -28.124 1.00 0.00 C ATOM 1853 O ASN A 122 11.382 1.823 -28.610 1.00 0.00 O ATOM 1854 CB ASN A 122 9.326 3.116 -27.180 1.00 0.00 C ATOM 1855 CG ASN A 122 8.703 2.965 -28.571 1.00 0.00 C ATOM 1856 OD1 ASN A 122 8.820 3.844 -29.422 1.00 0.00 O ATOM 1857 ND2 ASN A 122 8.005 1.871 -28.830 1.00 0.00 N ATOM 0 H ASN A 122 9.922 5.349 -28.117 1.00 0.00 H new ATOM 0 HA ASN A 122 11.166 3.559 -26.185 1.00 0.00 H new ATOM 0 HB2 ASN A 122 9.334 2.142 -26.690 1.00 0.00 H new ATOM 0 HB3 ASN A 122 8.693 3.770 -26.580 1.00 0.00 H new ATOM 0 HD21 ASN A 122 7.560 1.753 -29.740 1.00 0.00 H new ATOM 0 HD22 ASN A 122 7.912 1.145 -28.119 1.00 0.00 H new ATOM 1864 N ASP A 123 12.871 3.489 -28.420 1.00 0.00 N ATOM 1865 CA ASP A 123 13.831 3.030 -29.428 1.00 0.00 C ATOM 1866 C ASP A 123 15.249 3.283 -28.886 1.00 0.00 C ATOM 1867 O ASP A 123 15.419 3.424 -27.673 1.00 0.00 O ATOM 1868 CB ASP A 123 13.536 3.756 -30.755 1.00 0.00 C ATOM 1869 CG ASP A 123 14.106 3.007 -31.972 1.00 0.00 C ATOM 1870 OD1 ASP A 123 15.277 3.245 -32.340 1.00 0.00 O ATOM 1871 OD2 ASP A 123 13.376 2.190 -32.576 1.00 0.00 O ATOM 0 H ASP A 123 13.185 4.333 -27.941 1.00 0.00 H new ATOM 0 HA ASP A 123 13.747 1.962 -29.629 1.00 0.00 H new ATOM 0 HB2 ASP A 123 12.458 3.868 -30.873 1.00 0.00 H new ATOM 0 HB3 ASP A 123 13.959 4.760 -30.719 1.00 0.00 H new ATOM 1876 N GLY A 124 16.285 3.320 -29.727 1.00 0.00 N ATOM 1877 CA GLY A 124 17.649 3.699 -29.357 1.00 0.00 C ATOM 1878 C GLY A 124 18.443 2.586 -28.658 1.00 0.00 C ATOM 1879 O GLY A 124 19.670 2.577 -28.759 1.00 0.00 O ATOM 0 H GLY A 124 16.194 3.080 -30.714 1.00 0.00 H new ATOM 0 HA2 GLY A 124 18.186 4.004 -30.255 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.607 4.568 -28.700 1.00 0.00 H new ATOM 1883 N TYR A 125 17.740 1.636 -28.031 1.00 0.00 N ATOM 1884 CA TYR A 125 18.210 0.369 -27.468 1.00 0.00 C ATOM 1885 C TYR A 125 19.478 0.518 -26.626 1.00 0.00 C ATOM 1886 O TYR A 125 20.612 0.358 -27.126 1.00 0.00 O ATOM 1887 CB TYR A 125 18.306 -0.689 -28.577 1.00 0.00 C ATOM 1888 CG TYR A 125 16.996 -0.884 -29.321 1.00 0.00 C ATOM 1889 CD1 TYR A 125 15.957 -1.635 -28.737 1.00 0.00 C ATOM 1890 CD2 TYR A 125 16.790 -0.258 -30.567 1.00 0.00 C ATOM 1891 CE1 TYR A 125 14.720 -1.763 -29.392 1.00 0.00 C ATOM 1892 CE2 TYR A 125 15.555 -0.380 -31.228 1.00 0.00 C ATOM 1893 CZ TYR A 125 14.512 -1.134 -30.641 1.00 0.00 C ATOM 1894 OH TYR A 125 13.306 -1.258 -31.263 1.00 0.00 O ATOM 1895 OXT TYR A 125 19.330 0.799 -25.421 1.00 0.00 O ATOM 0 H TYR A 125 16.735 1.747 -27.893 1.00 0.00 H new ATOM 0 HA TYR A 125 17.472 0.015 -26.749 1.00 0.00 H new ATOM 0 HB2 TYR A 125 19.081 -0.396 -29.286 1.00 0.00 H new ATOM 0 HB3 TYR A 125 18.615 -1.639 -28.141 1.00 0.00 H new ATOM 0 HD1 TYR A 125 16.112 -2.115 -27.782 1.00 0.00 H new ATOM 0 HD2 TYR A 125 17.585 0.318 -31.016 1.00 0.00 H new ATOM 0 HE1 TYR A 125 13.928 -2.342 -28.941 1.00 0.00 H new ATOM 0 HE2 TYR A 125 15.403 0.101 -32.183 1.00 0.00 H new ATOM 0 HH TYR A 125 13.323 -0.767 -32.111 1.00 0.00 H new TER 1905 TYR A 125