USER MOD reduce.3.24.130724 H: found=0, std=0, add=1057, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1057 hydrogens (6 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 40 SER OG : rot 76:sc= 1.06 USER MOD Set 1.2: A 132 SER OG : rot -176:sc= -0.775 USER MOD Set 2.1: A 5 LYS NZ :NH3+ 138:sc= 1.15 (180deg=-1.27!) USER MOD Set 2.2: A 131 SER OG : rot -160:sc= 1.13 USER MOD Set 3.1: A 116 THR OG1 : rot 178:sc= 1.1 USER MOD Set 3.2: A 121 LYS NZ :NH3+ 165:sc= 2.55 (180deg=1.83!) USER MOD Set 4.1: A 107 ASN : amide:sc= -0.234 K(o=0.93,f=-4.2!) USER MOD Set 4.2: A 109 SER OG : rot -89:sc= 1.16 USER MOD Set 5.1: A 11 ASN : amide:sc= 0.626 K(o=1.7,f=-16!) USER MOD Set 5.2: A 105 LYS NZ :NH3+ 163:sc= 1.03 (180deg=0) USER MOD Set 6.1: A 60 MET CE :methyl -146:sc= -2.36 (180deg=-2.48) USER MOD Set 6.2: A 92 SER OG : rot 140:sc= -0.273 USER MOD Set 7.1: A 85 ASN : amide:sc= -0.729 K(o=-2.9,f=-6.1) USER MOD Set 7.2: A 86 HIS : no HD1:sc= -2.22 X(o=-2.9,f=-3.1) USER MOD Set 8.1: A 34 HIS : no HE2:sc= 0.918 K(o=2,f=-11!) USER MOD Set 8.2: A 52 THR OG1 : rot -30:sc= 1.09 USER MOD Set 9.1: A 38 GLN : amide:sc= 1.48 K(o=1.5,f=-15!) USER MOD Set 9.2: A 50 LYS NZ :NH3+ -117:sc= 0.0304 (180deg=0.156) USER MOD Set10.1: A 48 TYR OH : rot -86:sc= 1.5! USER MOD Set10.2: A 57 TYR OH : rot 178:sc= 1.96 USER MOD Set11.1: A 33 GLN : amide:sc= 0.453 K(o=1.4,f=-3.6!) USER MOD Set11.2: A 51 SER OG : rot -21:sc= 0.943 USER MOD Set12.1: A 8 TYR OH : rot 29:sc= 0.976 USER MOD Set12.2: A 14 HIS :FLIP no HD1:sc= -0.172 F(o=-1,f=0.8) USER MOD Single : A 1 TYR N :NH3+ -147:sc= 0.165 (180deg=0) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00613) USER MOD Single : A 9 CYS SG : rot 102:sc= 0 USER MOD Single : A 10 SER OG : rot -170:sc= 0 USER MOD Single : A 23 THR OG1 : rot -11:sc= 0.988 USER MOD Single : A 27 THR OG1 : rot -48:sc= -3.07 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.0308 X(o=-0.031,f=-0.16) USER MOD Single : A 43 SER OG : rot -112:sc= 1.21 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.629 K(o=-0.63,f=-5.3!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 85:sc= 1.25 USER MOD Single : A 70 GLN : amide:sc= -1.86 K(o=-1.9,f=-7.3!) USER MOD Single : A 71 THR OG1 : rot 73:sc= 0.977 USER MOD Single : A 73 ASN : amide:sc= -0.981 K(o=-0.98,f=-5.6!) USER MOD Single : A 76 CYS SG : rot 62:sc= 0.0592 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= 0.269 F(o=-3.6!,f=0.27) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.937 USER MOD Single : A 90 TYR OH : rot 1:sc= 1.21 USER MOD Single : A 93 LYS NZ :NH3+ -150:sc= 1.01 (180deg=0.833) USER MOD Single : A 94 LYS NZ :NH3+ 153:sc= 2.3 (180deg=2.24) USER MOD Single : A 95 HIS : no HD1:sc= 0.559 K(o=0.56,f=-7.3!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.769 X(o=-0.77,f=-0.73) USER MOD Single : A 106 LYS NZ :NH3+ -151:sc= 1.96 (180deg=0.664) USER MOD Single : A 110 CYS SG : rot 160:sc= -0.471 USER MOD Single : A 111 LYS NZ :NH3+ 165:sc= 1.26 (180deg=1.18) USER MOD Single : A 117 HIS : no HD1:sc= -1.32 X(o=-1.3,f=-1.2) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.762 K(o=-0.76,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 16.454 -1.625 -9.379 1.00 0.54 N ATOM 2 CA TYR A 1 15.094 -2.041 -8.950 1.00 0.51 C ATOM 3 C TYR A 1 14.616 -1.244 -7.730 1.00 0.43 C ATOM 4 O TYR A 1 13.464 -0.819 -7.678 1.00 0.59 O ATOM 5 CB TYR A 1 15.063 -3.545 -8.629 1.00 0.57 C ATOM 6 CG TYR A 1 15.781 -3.926 -7.346 1.00 0.55 C ATOM 7 CD1 TYR A 1 17.137 -4.227 -7.349 1.00 0.77 C ATOM 8 CD2 TYR A 1 15.100 -3.985 -6.134 1.00 0.53 C ATOM 9 CE1 TYR A 1 17.796 -4.568 -6.183 1.00 0.93 C ATOM 10 CE2 TYR A 1 15.754 -4.323 -4.963 1.00 0.65 C ATOM 11 CZ TYR A 1 17.101 -4.616 -4.993 1.00 0.85 C ATOM 12 OH TYR A 1 17.762 -4.944 -3.828 1.00 1.08 O ATOM 0 H1 TYR A 1 16.534 -1.712 -10.412 1.00 0.54 H new ATOM 0 H2 TYR A 1 16.618 -0.636 -9.101 1.00 0.54 H new ATOM 0 H3 TYR A 1 17.163 -2.235 -8.924 1.00 0.54 H new ATOM 0 HA TYR A 1 14.417 -1.835 -9.779 1.00 0.51 H new ATOM 0 HB2 TYR A 1 14.024 -3.868 -8.560 1.00 0.57 H new ATOM 0 HB3 TYR A 1 15.512 -4.091 -9.459 1.00 0.57 H new ATOM 0 HD1 TYR A 1 17.686 -4.194 -8.279 1.00 0.77 H new ATOM 0 HD2 TYR A 1 14.043 -3.763 -6.107 1.00 0.53 H new ATOM 0 HE1 TYR A 1 18.851 -4.796 -6.204 1.00 0.93 H new ATOM 0 HE2 TYR A 1 15.212 -4.357 -4.029 1.00 0.65 H new ATOM 0 HH TYR A 1 17.130 -4.932 -3.079 1.00 1.08 H new ATOM 24 N LYS A 2 15.499 -1.032 -6.750 1.00 0.35 N ATOM 25 CA LYS A 2 15.125 -0.302 -5.543 1.00 0.39 C ATOM 26 C LYS A 2 15.341 1.201 -5.709 1.00 0.34 C ATOM 27 O LYS A 2 16.438 1.655 -6.044 1.00 0.48 O ATOM 28 CB LYS A 2 15.903 -0.818 -4.325 1.00 0.54 C ATOM 29 CG LYS A 2 17.415 -0.736 -4.464 1.00 0.73 C ATOM 30 CD LYS A 2 18.088 -0.645 -3.106 1.00 1.05 C ATOM 31 CE LYS A 2 19.599 -0.715 -3.236 1.00 1.15 C ATOM 32 NZ LYS A 2 20.283 -0.544 -1.930 1.00 1.40 N ATOM 0 H LYS A 2 16.467 -1.353 -6.771 1.00 0.35 H new ATOM 0 HA LYS A 2 14.062 -0.475 -5.376 1.00 0.39 H new ATOM 0 HB2 LYS A 2 15.600 -0.247 -3.447 1.00 0.54 H new ATOM 0 HB3 LYS A 2 15.623 -1.856 -4.143 1.00 0.54 H new ATOM 0 HG2 LYS A 2 17.782 -1.614 -4.996 1.00 0.73 H new ATOM 0 HG3 LYS A 2 17.681 0.135 -5.063 1.00 0.73 H new ATOM 0 HD2 LYS A 2 17.805 0.288 -2.619 1.00 1.05 H new ATOM 0 HD3 LYS A 2 17.737 -1.456 -2.468 1.00 1.05 H new ATOM 0 HE2 LYS A 2 19.881 -1.675 -3.669 1.00 1.15 H new ATOM 0 HE3 LYS A 2 19.939 0.057 -3.926 1.00 1.15 H new ATOM 0 HZ1 LYS A 2 21.312 -0.599 -2.067 1.00 1.40 H new ATOM 0 HZ2 LYS A 2 20.036 0.383 -1.528 1.00 1.40 H new ATOM 0 HZ3 LYS A 2 19.980 -1.296 -1.278 1.00 1.40 H new ATOM 46 N LYS A 3 14.284 1.963 -5.472 1.00 0.28 N ATOM 47 CA LYS A 3 14.333 3.413 -5.577 1.00 0.26 C ATOM 48 C LYS A 3 13.295 4.030 -4.648 1.00 0.26 C ATOM 49 O LYS A 3 12.369 3.342 -4.216 1.00 0.29 O ATOM 50 CB LYS A 3 14.084 3.866 -7.017 1.00 0.30 C ATOM 51 CG LYS A 3 15.353 3.998 -7.846 1.00 0.49 C ATOM 52 CD LYS A 3 15.051 4.531 -9.240 1.00 0.55 C ATOM 53 CE LYS A 3 16.327 4.856 -10.009 1.00 0.78 C ATOM 54 NZ LYS A 3 17.170 3.654 -10.244 1.00 1.18 N ATOM 0 H LYS A 3 13.372 1.595 -5.203 1.00 0.28 H new ATOM 0 HA LYS A 3 15.328 3.748 -5.283 1.00 0.26 H new ATOM 0 HB2 LYS A 3 13.416 3.154 -7.502 1.00 0.30 H new ATOM 0 HB3 LYS A 3 13.569 4.827 -7.002 1.00 0.30 H new ATOM 0 HG2 LYS A 3 16.051 4.667 -7.342 1.00 0.49 H new ATOM 0 HG3 LYS A 3 15.842 3.027 -7.924 1.00 0.49 H new ATOM 0 HD2 LYS A 3 14.471 3.793 -9.794 1.00 0.55 H new ATOM 0 HD3 LYS A 3 14.435 5.427 -9.161 1.00 0.55 H new ATOM 0 HE2 LYS A 3 16.066 5.306 -10.967 1.00 0.78 H new ATOM 0 HE3 LYS A 3 16.903 5.597 -9.455 1.00 0.78 H new ATOM 0 HZ1 LYS A 3 18.008 3.921 -10.799 1.00 1.18 H new ATOM 0 HZ2 LYS A 3 17.471 3.257 -9.331 1.00 1.18 H new ATOM 0 HZ3 LYS A 3 16.621 2.942 -10.767 1.00 1.18 H new ATOM 68 N PRO A 4 13.441 5.324 -4.322 1.00 0.28 N ATOM 69 CA PRO A 4 12.505 6.027 -3.438 1.00 0.30 C ATOM 70 C PRO A 4 11.087 6.035 -4.005 1.00 0.27 C ATOM 71 O PRO A 4 10.725 6.906 -4.797 1.00 0.35 O ATOM 72 CB PRO A 4 13.071 7.451 -3.358 1.00 0.35 C ATOM 73 CG PRO A 4 14.490 7.333 -3.795 1.00 0.43 C ATOM 74 CD PRO A 4 14.527 6.206 -4.785 1.00 0.37 C ATOM 0 HA PRO A 4 12.422 5.547 -2.463 1.00 0.30 H new ATOM 0 HB2 PRO A 4 12.516 8.132 -4.003 1.00 0.35 H new ATOM 0 HB3 PRO A 4 13.003 7.845 -2.344 1.00 0.35 H new ATOM 0 HG2 PRO A 4 14.837 8.262 -4.248 1.00 0.43 H new ATOM 0 HG3 PRO A 4 15.143 7.129 -2.947 1.00 0.43 H new ATOM 0 HD2 PRO A 4 14.356 6.557 -5.803 1.00 0.37 H new ATOM 0 HD3 PRO A 4 15.491 5.696 -4.781 1.00 0.37 H new ATOM 82 N LYS A 5 10.296 5.047 -3.607 1.00 0.24 N ATOM 83 CA LYS A 5 8.922 4.920 -4.076 1.00 0.22 C ATOM 84 C LYS A 5 7.948 5.568 -3.088 1.00 0.25 C ATOM 85 O LYS A 5 8.341 5.994 -2.002 1.00 0.48 O ATOM 86 CB LYS A 5 8.588 3.433 -4.267 1.00 0.24 C ATOM 87 CG LYS A 5 7.281 3.164 -5.002 1.00 0.24 C ATOM 88 CD LYS A 5 7.302 1.796 -5.664 1.00 0.34 C ATOM 89 CE LYS A 5 5.962 1.439 -6.295 1.00 0.35 C ATOM 90 NZ LYS A 5 6.020 0.146 -7.028 1.00 0.40 N ATOM 0 H LYS A 5 10.585 4.317 -2.956 1.00 0.24 H new ATOM 0 HA LYS A 5 8.821 5.438 -5.030 1.00 0.22 H new ATOM 0 HB2 LYS A 5 9.402 2.959 -4.816 1.00 0.24 H new ATOM 0 HB3 LYS A 5 8.544 2.956 -3.288 1.00 0.24 H new ATOM 0 HG2 LYS A 5 6.447 3.221 -4.302 1.00 0.24 H new ATOM 0 HG3 LYS A 5 7.118 3.935 -5.756 1.00 0.24 H new ATOM 0 HD2 LYS A 5 8.078 1.777 -6.429 1.00 0.34 H new ATOM 0 HD3 LYS A 5 7.565 1.040 -4.924 1.00 0.34 H new ATOM 0 HE2 LYS A 5 5.199 1.382 -5.519 1.00 0.35 H new ATOM 0 HE3 LYS A 5 5.661 2.231 -6.980 1.00 0.35 H new ATOM 0 HZ1 LYS A 5 5.158 -0.403 -6.833 1.00 0.40 H new ATOM 0 HZ2 LYS A 5 6.090 0.329 -8.049 1.00 0.40 H new ATOM 0 HZ3 LYS A 5 6.852 -0.393 -6.715 1.00 0.40 H new ATOM 104 N LEU A 6 6.684 5.661 -3.489 1.00 0.22 N ATOM 105 CA LEU A 6 5.639 6.229 -2.648 1.00 0.23 C ATOM 106 C LEU A 6 4.286 5.632 -3.035 1.00 0.22 C ATOM 107 O LEU A 6 4.160 5.006 -4.093 1.00 0.25 O ATOM 108 CB LEU A 6 5.605 7.759 -2.763 1.00 0.27 C ATOM 109 CG LEU A 6 5.117 8.315 -4.105 1.00 0.32 C ATOM 110 CD1 LEU A 6 4.630 9.748 -3.942 1.00 0.45 C ATOM 111 CD2 LEU A 6 6.223 8.246 -5.150 1.00 0.50 C ATOM 0 H LEU A 6 6.357 5.346 -4.402 1.00 0.22 H new ATOM 0 HA LEU A 6 5.857 5.981 -1.609 1.00 0.23 H new ATOM 0 HB2 LEU A 6 4.963 8.150 -1.974 1.00 0.27 H new ATOM 0 HB3 LEU A 6 6.608 8.141 -2.576 1.00 0.27 H new ATOM 0 HG LEU A 6 4.283 7.701 -4.446 1.00 0.32 H new ATOM 0 HD11 LEU A 6 4.287 10.127 -4.905 1.00 0.45 H new ATOM 0 HD12 LEU A 6 3.807 9.774 -3.228 1.00 0.45 H new ATOM 0 HD13 LEU A 6 5.447 10.371 -3.577 1.00 0.45 H new ATOM 0 HD21 LEU A 6 5.856 8.646 -6.095 1.00 0.50 H new ATOM 0 HD22 LEU A 6 7.077 8.834 -4.815 1.00 0.50 H new ATOM 0 HD23 LEU A 6 6.528 7.209 -5.289 1.00 0.50 H new ATOM 123 N LEU A 7 3.287 5.825 -2.179 1.00 0.24 N ATOM 124 CA LEU A 7 1.946 5.302 -2.424 1.00 0.26 C ATOM 125 C LEU A 7 0.918 6.429 -2.374 1.00 0.22 C ATOM 126 O LEU A 7 0.410 6.779 -1.306 1.00 0.24 O ATOM 127 CB LEU A 7 1.599 4.218 -1.396 1.00 0.32 C ATOM 128 CG LEU A 7 0.207 3.597 -1.548 1.00 0.36 C ATOM 129 CD1 LEU A 7 0.085 2.860 -2.876 1.00 0.44 C ATOM 130 CD2 LEU A 7 -0.088 2.665 -0.382 1.00 0.46 C ATOM 0 H LEU A 7 3.381 6.342 -1.305 1.00 0.24 H new ATOM 0 HA LEU A 7 1.925 4.857 -3.419 1.00 0.26 H new ATOM 0 HB2 LEU A 7 2.343 3.424 -1.464 1.00 0.32 H new ATOM 0 HB3 LEU A 7 1.681 4.647 -0.397 1.00 0.32 H new ATOM 0 HG LEU A 7 -0.531 4.400 -1.541 1.00 0.36 H new ATOM 0 HD11 LEU A 7 -0.912 2.427 -2.962 1.00 0.44 H new ATOM 0 HD12 LEU A 7 0.249 3.559 -3.696 1.00 0.44 H new ATOM 0 HD13 LEU A 7 0.830 2.066 -2.921 1.00 0.44 H new ATOM 0 HD21 LEU A 7 -1.081 2.232 -0.505 1.00 0.46 H new ATOM 0 HD22 LEU A 7 0.655 1.868 -0.356 1.00 0.46 H new ATOM 0 HD23 LEU A 7 -0.050 3.227 0.551 1.00 0.46 H new ATOM 142 N TYR A 8 0.611 6.988 -3.537 1.00 0.22 N ATOM 143 CA TYR A 8 -0.341 8.084 -3.635 1.00 0.21 C ATOM 144 C TYR A 8 -1.765 7.553 -3.783 1.00 0.21 C ATOM 145 O TYR A 8 -2.032 6.691 -4.623 1.00 0.29 O ATOM 146 CB TYR A 8 0.013 8.980 -4.827 1.00 0.24 C ATOM 147 CG TYR A 8 -0.327 10.436 -4.615 1.00 0.28 C ATOM 148 CD1 TYR A 8 -1.632 10.892 -4.748 1.00 0.37 C ATOM 149 CD2 TYR A 8 0.660 11.356 -4.288 1.00 0.46 C ATOM 150 CE1 TYR A 8 -1.944 12.223 -4.556 1.00 0.46 C ATOM 151 CE2 TYR A 8 0.357 12.688 -4.093 1.00 0.56 C ATOM 152 CZ TYR A 8 -0.945 13.118 -4.231 1.00 0.50 C ATOM 153 OH TYR A 8 -1.250 14.445 -4.032 1.00 0.63 O ATOM 0 H TYR A 8 1.010 6.698 -4.430 1.00 0.22 H new ATOM 0 HA TYR A 8 -0.287 8.671 -2.718 1.00 0.21 H new ATOM 0 HB2 TYR A 8 1.080 8.891 -5.032 1.00 0.24 H new ATOM 0 HB3 TYR A 8 -0.513 8.618 -5.711 1.00 0.24 H new ATOM 0 HD1 TYR A 8 -2.415 10.194 -5.006 1.00 0.37 H new ATOM 0 HD2 TYR A 8 1.682 11.023 -4.184 1.00 0.46 H new ATOM 0 HE1 TYR A 8 -2.964 12.562 -4.660 1.00 0.46 H new ATOM 0 HE2 TYR A 8 1.136 13.390 -3.834 1.00 0.56 H new ATOM 0 HH TYR A 8 -2.170 14.523 -3.703 1.00 0.63 H new ATOM 163 N CYS A 9 -2.671 8.063 -2.958 1.00 0.23 N ATOM 164 CA CYS A 9 -4.070 7.654 -2.998 1.00 0.27 C ATOM 165 C CYS A 9 -4.936 8.800 -3.516 1.00 0.28 C ATOM 166 O CYS A 9 -4.935 9.898 -2.952 1.00 0.30 O ATOM 167 CB CYS A 9 -4.541 7.216 -1.607 1.00 0.30 C ATOM 168 SG CYS A 9 -3.507 5.938 -0.850 1.00 0.37 S ATOM 0 H CYS A 9 -2.460 8.765 -2.249 1.00 0.23 H new ATOM 0 HA CYS A 9 -4.167 6.806 -3.676 1.00 0.27 H new ATOM 0 HB2 CYS A 9 -4.564 8.086 -0.951 1.00 0.30 H new ATOM 0 HB3 CYS A 9 -5.563 6.846 -1.681 1.00 0.30 H new ATOM 0 HG CYS A 9 -2.724 6.481 0.034 1.00 0.37 H new ATOM 174 N SER A 10 -5.668 8.544 -4.591 1.00 0.37 N ATOM 175 CA SER A 10 -6.522 9.559 -5.194 1.00 0.42 C ATOM 176 C SER A 10 -7.770 9.826 -4.343 1.00 0.39 C ATOM 177 O SER A 10 -8.882 9.444 -4.713 1.00 0.51 O ATOM 178 CB SER A 10 -6.922 9.128 -6.607 1.00 0.56 C ATOM 179 OG SER A 10 -5.784 8.741 -7.360 1.00 1.23 O ATOM 0 H SER A 10 -5.688 7.641 -5.065 1.00 0.37 H new ATOM 0 HA SER A 10 -5.956 10.489 -5.246 1.00 0.42 H new ATOM 0 HB2 SER A 10 -7.626 8.298 -6.552 1.00 0.56 H new ATOM 0 HB3 SER A 10 -7.434 9.948 -7.110 1.00 0.56 H new ATOM 0 HG SER A 10 -6.038 8.622 -8.299 1.00 1.23 H new ATOM 185 N ASN A 11 -7.576 10.465 -3.190 1.00 0.33 N ATOM 186 CA ASN A 11 -8.694 10.789 -2.305 1.00 0.36 C ATOM 187 C ASN A 11 -8.609 12.238 -1.819 1.00 0.35 C ATOM 188 O ASN A 11 -9.040 12.561 -0.708 1.00 0.47 O ATOM 189 CB ASN A 11 -8.733 9.829 -1.107 1.00 0.44 C ATOM 190 CG ASN A 11 -10.141 9.651 -0.556 1.00 0.55 C ATOM 191 OD1 ASN A 11 -10.374 9.774 0.650 1.00 0.63 O ATOM 192 ND2 ASN A 11 -11.092 9.338 -1.428 1.00 0.75 N ATOM 0 H ASN A 11 -6.663 10.766 -2.849 1.00 0.33 H new ATOM 0 HA ASN A 11 -9.615 10.673 -2.876 1.00 0.36 H new ATOM 0 HB2 ASN A 11 -8.338 8.859 -1.408 1.00 0.44 H new ATOM 0 HB3 ASN A 11 -8.082 10.208 -0.319 1.00 0.44 H new ATOM 0 HD21 ASN A 11 -12.049 9.191 -1.108 1.00 0.75 H new ATOM 0 HD22 ASN A 11 -10.865 9.244 -2.418 1.00 0.75 H new ATOM 199 N GLY A 12 -8.054 13.108 -2.660 1.00 0.38 N ATOM 200 CA GLY A 12 -7.927 14.512 -2.313 1.00 0.45 C ATOM 201 C GLY A 12 -6.851 14.770 -1.275 1.00 0.46 C ATOM 202 O GLY A 12 -7.119 14.717 -0.071 1.00 0.87 O ATOM 0 H GLY A 12 -7.689 12.863 -3.580 1.00 0.38 H new ATOM 0 HA2 GLY A 12 -7.701 15.084 -3.213 1.00 0.45 H new ATOM 0 HA3 GLY A 12 -8.883 14.875 -1.936 1.00 0.45 H new ATOM 206 N GLY A 13 -5.639 15.053 -1.740 1.00 0.38 N ATOM 207 CA GLY A 13 -4.530 15.317 -0.841 1.00 0.36 C ATOM 208 C GLY A 13 -3.280 14.575 -1.266 1.00 0.31 C ATOM 209 O GLY A 13 -3.098 14.295 -2.452 1.00 0.40 O ATOM 0 H GLY A 13 -5.404 15.105 -2.731 1.00 0.38 H new ATOM 0 HA2 GLY A 13 -4.328 16.388 -0.816 1.00 0.36 H new ATOM 0 HA3 GLY A 13 -4.803 15.021 0.172 1.00 0.36 H new ATOM 213 N HIS A 14 -2.422 14.256 -0.306 1.00 0.26 N ATOM 214 CA HIS A 14 -1.183 13.527 -0.574 1.00 0.24 C ATOM 215 C HIS A 14 -1.072 12.353 0.391 1.00 0.22 C ATOM 216 O HIS A 14 -1.636 12.398 1.484 1.00 0.30 O ATOM 217 CB HIS A 14 0.037 14.448 -0.431 1.00 0.28 C ATOM 218 CG HIS A 14 0.121 15.520 -1.474 1.00 0.38 C ATOM 219 ND1 HIS A 14 0.890 15.610 -2.586 1.00 0.60 N flip ATOM 220 CD2 HIS A 14 -0.642 16.667 -1.448 1.00 0.53 C flip ATOM 221 CE1 HIS A 14 0.578 16.793 -3.203 1.00 0.72 C flip ATOM 222 NE2 HIS A 14 -0.350 17.411 -2.499 1.00 0.66 N flip ATOM 0 H HIS A 14 -2.561 14.492 0.676 1.00 0.26 H new ATOM 0 HA HIS A 14 -1.206 13.157 -1.599 1.00 0.24 H new ATOM 0 HB2 HIS A 14 0.012 14.915 0.553 1.00 0.28 H new ATOM 0 HB3 HIS A 14 0.942 13.843 -0.474 1.00 0.28 H new ATOM 0 HD2 HIS A 14 -1.366 16.918 -0.687 1.00 0.53 H new ATOM 0 HE1 HIS A 14 1.020 17.160 -4.117 1.00 0.72 H new ATOM 0 HE2 HIS A 14 -0.771 18.311 -2.728 1.00 0.66 H new ATOM 231 N PHE A 15 -0.358 11.305 -0.007 1.00 0.20 N ATOM 232 CA PHE A 15 -0.198 10.119 0.833 1.00 0.21 C ATOM 233 C PHE A 15 1.207 9.544 0.692 1.00 0.21 C ATOM 234 O PHE A 15 1.670 9.303 -0.425 1.00 0.23 O ATOM 235 CB PHE A 15 -1.237 9.056 0.454 1.00 0.27 C ATOM 236 CG PHE A 15 -2.658 9.470 0.724 1.00 0.29 C ATOM 237 CD1 PHE A 15 -3.364 10.224 -0.200 1.00 0.31 C ATOM 238 CD2 PHE A 15 -3.285 9.102 1.902 1.00 0.43 C ATOM 239 CE1 PHE A 15 -4.668 10.603 0.047 1.00 0.37 C ATOM 240 CE2 PHE A 15 -4.589 9.478 2.154 1.00 0.50 C ATOM 241 CZ PHE A 15 -5.283 10.231 1.226 1.00 0.45 C ATOM 0 H PHE A 15 0.120 11.251 -0.906 1.00 0.20 H new ATOM 0 HA PHE A 15 -0.351 10.413 1.871 1.00 0.21 H new ATOM 0 HB2 PHE A 15 -1.132 8.821 -0.605 1.00 0.27 H new ATOM 0 HB3 PHE A 15 -1.024 8.141 1.006 1.00 0.27 H new ATOM 0 HD1 PHE A 15 -2.888 10.518 -1.124 1.00 0.31 H new ATOM 0 HD2 PHE A 15 -2.748 8.514 2.632 1.00 0.43 H new ATOM 0 HE1 PHE A 15 -5.207 11.190 -0.682 1.00 0.37 H new ATOM 0 HE2 PHE A 15 -5.067 9.184 3.077 1.00 0.50 H new ATOM 0 HZ PHE A 15 -6.303 10.527 1.422 1.00 0.45 H new ATOM 251 N LEU A 16 1.890 9.345 1.823 1.00 0.20 N ATOM 252 CA LEU A 16 3.248 8.790 1.820 1.00 0.22 C ATOM 253 C LEU A 16 3.878 8.805 3.218 1.00 0.23 C ATOM 254 O LEU A 16 5.067 9.092 3.369 1.00 0.33 O ATOM 255 CB LEU A 16 4.142 9.562 0.835 1.00 0.23 C ATOM 256 CG LEU A 16 4.011 11.090 0.868 1.00 0.24 C ATOM 257 CD1 LEU A 16 4.754 11.678 2.061 1.00 0.46 C ATOM 258 CD2 LEU A 16 4.525 11.694 -0.433 1.00 0.45 C ATOM 0 H LEU A 16 1.526 9.559 2.751 1.00 0.20 H new ATOM 0 HA LEU A 16 3.170 7.751 1.501 1.00 0.22 H new ATOM 0 HB2 LEU A 16 5.181 9.301 1.036 1.00 0.23 H new ATOM 0 HB3 LEU A 16 3.917 9.219 -0.175 1.00 0.23 H new ATOM 0 HG LEU A 16 2.955 11.338 0.975 1.00 0.24 H new ATOM 0 HD11 LEU A 16 4.644 12.762 2.059 1.00 0.46 H new ATOM 0 HD12 LEU A 16 4.339 11.273 2.984 1.00 0.46 H new ATOM 0 HD13 LEU A 16 5.811 11.420 1.994 1.00 0.46 H new ATOM 0 HD21 LEU A 16 4.426 12.779 -0.395 1.00 0.45 H new ATOM 0 HD22 LEU A 16 5.574 11.430 -0.567 1.00 0.45 H new ATOM 0 HD23 LEU A 16 3.944 11.306 -1.269 1.00 0.45 H new ATOM 270 N ARG A 17 3.099 8.469 4.241 1.00 0.24 N ATOM 271 CA ARG A 17 3.616 8.459 5.607 1.00 0.26 C ATOM 272 C ARG A 17 3.078 7.277 6.399 1.00 0.22 C ATOM 273 O ARG A 17 1.889 6.958 6.329 1.00 0.29 O ATOM 274 CB ARG A 17 3.271 9.764 6.321 1.00 0.34 C ATOM 275 CG ARG A 17 3.780 9.834 7.754 1.00 0.47 C ATOM 276 CD ARG A 17 3.735 11.253 8.303 1.00 0.53 C ATOM 277 NE ARG A 17 2.382 11.799 8.335 1.00 0.54 N ATOM 278 CZ ARG A 17 2.100 13.090 8.510 1.00 0.72 C ATOM 279 NH1 ARG A 17 3.079 13.982 8.676 1.00 0.85 N ATOM 280 NH2 ARG A 17 0.836 13.496 8.496 1.00 0.86 N ATOM 0 H ARG A 17 2.118 8.203 4.154 1.00 0.24 H new ATOM 0 HA ARG A 17 4.700 8.361 5.545 1.00 0.26 H new ATOM 0 HB2 ARG A 17 3.688 10.598 5.756 1.00 0.34 H new ATOM 0 HB3 ARG A 17 2.188 9.891 6.323 1.00 0.34 H new ATOM 0 HG2 ARG A 17 3.178 9.181 8.386 1.00 0.47 H new ATOM 0 HG3 ARG A 17 4.803 9.461 7.794 1.00 0.47 H new ATOM 0 HD2 ARG A 17 4.151 11.262 9.311 1.00 0.53 H new ATOM 0 HD3 ARG A 17 4.368 11.896 7.691 1.00 0.53 H new ATOM 0 HE ARG A 17 1.603 11.152 8.216 1.00 0.54 H new ATOM 0 HH11 ARG A 17 4.053 13.678 8.670 1.00 0.85 H new ATOM 0 HH12 ARG A 17 2.854 14.968 8.809 1.00 0.85 H new ATOM 0 HH21 ARG A 17 0.085 12.821 8.352 1.00 0.86 H new ATOM 0 HH22 ARG A 17 0.616 14.483 8.630 1.00 0.86 H new ATOM 294 N ILE A 18 3.966 6.641 7.153 1.00 0.21 N ATOM 295 CA ILE A 18 3.615 5.492 7.975 1.00 0.20 C ATOM 296 C ILE A 18 4.150 5.683 9.392 1.00 0.20 C ATOM 297 O ILE A 18 5.314 6.052 9.574 1.00 0.26 O ATOM 298 CB ILE A 18 4.177 4.178 7.380 1.00 0.26 C ATOM 299 CG1 ILE A 18 3.741 2.969 8.220 1.00 0.29 C ATOM 300 CG2 ILE A 18 5.698 4.234 7.281 1.00 0.33 C ATOM 301 CD1 ILE A 18 2.286 2.593 8.038 1.00 0.33 C ATOM 0 H ILE A 18 4.949 6.908 7.211 1.00 0.21 H new ATOM 0 HA ILE A 18 2.528 5.417 7.999 1.00 0.20 H new ATOM 0 HB ILE A 18 3.771 4.064 6.375 1.00 0.26 H new ATOM 0 HG12 ILE A 18 4.363 2.113 7.959 1.00 0.29 H new ATOM 0 HG13 ILE A 18 3.922 3.185 9.273 1.00 0.29 H new ATOM 0 HG21 ILE A 18 6.070 3.300 6.860 1.00 0.33 H new ATOM 0 HG22 ILE A 18 5.990 5.064 6.637 1.00 0.33 H new ATOM 0 HG23 ILE A 18 6.122 4.379 8.275 1.00 0.33 H new ATOM 0 HD11 ILE A 18 2.052 1.731 8.663 1.00 0.33 H new ATOM 0 HD12 ILE A 18 1.654 3.433 8.327 1.00 0.33 H new ATOM 0 HD13 ILE A 18 2.103 2.344 6.993 1.00 0.33 H new ATOM 313 N LEU A 19 3.298 5.463 10.383 1.00 0.21 N ATOM 314 CA LEU A 19 3.696 5.612 11.777 1.00 0.24 C ATOM 315 C LEU A 19 3.994 4.252 12.400 1.00 0.23 C ATOM 316 O LEU A 19 3.179 3.328 12.298 1.00 0.22 O ATOM 317 CB LEU A 19 2.601 6.324 12.584 1.00 0.30 C ATOM 318 CG LEU A 19 2.415 7.816 12.282 1.00 0.40 C ATOM 319 CD1 LEU A 19 3.726 8.566 12.454 1.00 0.54 C ATOM 320 CD2 LEU A 19 1.858 8.019 10.882 1.00 0.48 C ATOM 0 H LEU A 19 2.327 5.181 10.249 1.00 0.21 H new ATOM 0 HA LEU A 19 4.601 6.219 11.803 1.00 0.24 H new ATOM 0 HB2 LEU A 19 1.654 5.815 12.404 1.00 0.30 H new ATOM 0 HB3 LEU A 19 2.826 6.212 13.645 1.00 0.30 H new ATOM 0 HG LEU A 19 1.695 8.219 12.994 1.00 0.40 H new ATOM 0 HD11 LEU A 19 3.572 9.623 12.235 1.00 0.54 H new ATOM 0 HD12 LEU A 19 4.077 8.455 13.480 1.00 0.54 H new ATOM 0 HD13 LEU A 19 4.471 8.158 11.770 1.00 0.54 H new ATOM 0 HD21 LEU A 19 1.735 9.085 10.691 1.00 0.48 H new ATOM 0 HD22 LEU A 19 2.548 7.597 10.151 1.00 0.48 H new ATOM 0 HD23 LEU A 19 0.892 7.521 10.799 1.00 0.48 H new ATOM 332 N PRO A 20 5.164 4.117 13.054 1.00 0.29 N ATOM 333 CA PRO A 20 5.580 2.867 13.701 1.00 0.33 C ATOM 334 C PRO A 20 4.453 2.227 14.504 1.00 0.30 C ATOM 335 O PRO A 20 4.353 0.999 14.584 1.00 0.36 O ATOM 336 CB PRO A 20 6.711 3.317 14.624 1.00 0.41 C ATOM 337 CG PRO A 20 7.313 4.488 13.932 1.00 0.55 C ATOM 338 CD PRO A 20 6.183 5.177 13.211 1.00 0.38 C ATOM 0 HA PRO A 20 5.876 2.106 12.978 1.00 0.33 H new ATOM 0 HB2 PRO A 20 6.334 3.589 15.610 1.00 0.41 H new ATOM 0 HB3 PRO A 20 7.443 2.523 14.771 1.00 0.41 H new ATOM 0 HG2 PRO A 20 7.787 5.161 14.647 1.00 0.55 H new ATOM 0 HG3 PRO A 20 8.086 4.171 13.232 1.00 0.55 H new ATOM 0 HD2 PRO A 20 5.798 6.020 13.785 1.00 0.38 H new ATOM 0 HD3 PRO A 20 6.504 5.569 12.246 1.00 0.38 H new ATOM 346 N ASP A 21 3.607 3.072 15.091 1.00 0.27 N ATOM 347 CA ASP A 21 2.466 2.612 15.882 1.00 0.30 C ATOM 348 C ASP A 21 1.617 1.623 15.081 1.00 0.29 C ATOM 349 O ASP A 21 0.934 0.772 15.654 1.00 0.41 O ATOM 350 CB ASP A 21 1.595 3.799 16.313 1.00 0.36 C ATOM 351 CG ASP A 21 2.391 4.889 17.003 1.00 0.64 C ATOM 352 OD1 ASP A 21 3.015 5.713 16.299 1.00 0.95 O ATOM 353 OD2 ASP A 21 2.408 4.927 18.249 1.00 0.96 O ATOM 0 H ASP A 21 3.691 4.087 15.033 1.00 0.27 H new ATOM 0 HA ASP A 21 2.854 2.112 16.769 1.00 0.30 H new ATOM 0 HB2 ASP A 21 1.098 4.217 15.437 1.00 0.36 H new ATOM 0 HB3 ASP A 21 0.813 3.445 16.985 1.00 0.36 H new ATOM 358 N GLY A 22 1.662 1.744 13.754 1.00 0.24 N ATOM 359 CA GLY A 22 0.898 0.866 12.894 1.00 0.27 C ATOM 360 C GLY A 22 -0.225 1.601 12.196 1.00 0.27 C ATOM 361 O GLY A 22 -1.396 1.243 12.336 1.00 0.35 O ATOM 0 H GLY A 22 2.220 2.441 13.261 1.00 0.24 H new ATOM 0 HA2 GLY A 22 1.559 0.421 12.150 1.00 0.27 H new ATOM 0 HA3 GLY A 22 0.485 0.048 13.484 1.00 0.27 H new ATOM 365 N THR A 23 0.123 2.657 11.467 1.00 0.24 N ATOM 366 CA THR A 23 -0.868 3.445 10.749 1.00 0.27 C ATOM 367 C THR A 23 -0.225 4.289 9.652 1.00 0.22 C ATOM 368 O THR A 23 0.890 4.794 9.812 1.00 0.25 O ATOM 369 CB THR A 23 -1.651 4.367 11.714 1.00 0.34 C ATOM 370 OG1 THR A 23 -2.410 3.583 12.654 1.00 0.47 O ATOM 371 CG2 THR A 23 -2.593 5.292 10.957 1.00 0.43 C ATOM 0 H THR A 23 1.083 2.985 11.359 1.00 0.24 H new ATOM 0 HA THR A 23 -1.560 2.740 10.287 1.00 0.27 H new ATOM 0 HB THR A 23 -0.921 4.975 12.249 1.00 0.34 H new ATOM 0 HG1 THR A 23 -2.403 2.643 12.377 1.00 0.47 H new ATOM 0 HG21 THR A 23 -3.127 5.926 11.665 1.00 0.43 H new ATOM 0 HG22 THR A 23 -2.018 5.916 10.273 1.00 0.43 H new ATOM 0 HG23 THR A 23 -3.309 4.697 10.390 1.00 0.43 H new ATOM 379 N VAL A 24 -0.935 4.414 8.539 1.00 0.25 N ATOM 380 CA VAL A 24 -0.489 5.208 7.401 1.00 0.24 C ATOM 381 C VAL A 24 -1.482 6.345 7.181 1.00 0.28 C ATOM 382 O VAL A 24 -2.693 6.143 7.321 1.00 0.37 O ATOM 383 CB VAL A 24 -0.371 4.344 6.119 1.00 0.29 C ATOM 384 CG1 VAL A 24 -1.680 3.626 5.820 1.00 0.37 C ATOM 385 CG2 VAL A 24 0.058 5.186 4.926 1.00 0.32 C ATOM 0 H VAL A 24 -1.840 3.966 8.399 1.00 0.25 H new ATOM 0 HA VAL A 24 0.502 5.609 7.615 1.00 0.24 H new ATOM 0 HB VAL A 24 0.398 3.593 6.299 1.00 0.29 H new ATOM 0 HG11 VAL A 24 -1.568 3.028 4.916 1.00 0.37 H new ATOM 0 HG12 VAL A 24 -1.938 2.976 6.656 1.00 0.37 H new ATOM 0 HG13 VAL A 24 -2.472 4.360 5.674 1.00 0.37 H new ATOM 0 HG21 VAL A 24 0.132 4.553 4.042 1.00 0.32 H new ATOM 0 HG22 VAL A 24 -0.679 5.970 4.750 1.00 0.32 H new ATOM 0 HG23 VAL A 24 1.028 5.639 5.130 1.00 0.32 H new ATOM 395 N ASP A 25 -0.984 7.535 6.865 1.00 0.28 N ATOM 396 CA ASP A 25 -1.861 8.684 6.659 1.00 0.35 C ATOM 397 C ASP A 25 -1.430 9.526 5.458 1.00 0.27 C ATOM 398 O ASP A 25 -0.452 9.208 4.771 1.00 0.26 O ATOM 399 CB ASP A 25 -1.919 9.545 7.932 1.00 0.50 C ATOM 400 CG ASP A 25 -0.789 10.554 8.037 1.00 0.53 C ATOM 401 OD1 ASP A 25 0.390 10.146 8.078 1.00 1.28 O ATOM 402 OD2 ASP A 25 -1.078 11.771 8.101 1.00 1.19 O ATOM 0 H ASP A 25 0.010 7.730 6.747 1.00 0.28 H new ATOM 0 HA ASP A 25 -2.859 8.302 6.443 1.00 0.35 H new ATOM 0 HB2 ASP A 25 -2.871 10.075 7.959 1.00 0.50 H new ATOM 0 HB3 ASP A 25 -1.893 8.891 8.804 1.00 0.50 H new ATOM 407 N GLY A 26 -2.184 10.596 5.205 1.00 0.27 N ATOM 408 CA GLY A 26 -1.896 11.474 4.089 1.00 0.26 C ATOM 409 C GLY A 26 -0.839 12.511 4.414 1.00 0.32 C ATOM 410 O GLY A 26 -0.988 13.291 5.356 1.00 0.72 O ATOM 0 H GLY A 26 -2.995 10.869 5.761 1.00 0.27 H new ATOM 0 HA2 GLY A 26 -1.564 10.877 3.240 1.00 0.26 H new ATOM 0 HA3 GLY A 26 -2.812 11.979 3.784 1.00 0.26 H new ATOM 414 N THR A 27 0.219 12.531 3.619 1.00 0.25 N ATOM 415 CA THR A 27 1.317 13.462 3.811 1.00 0.23 C ATOM 416 C THR A 27 1.907 13.862 2.460 1.00 0.23 C ATOM 417 O THR A 27 1.711 13.164 1.462 1.00 0.26 O ATOM 418 CB THR A 27 2.417 12.838 4.695 1.00 0.30 C ATOM 419 OG1 THR A 27 1.823 12.008 5.702 1.00 0.60 O ATOM 420 CG2 THR A 27 3.272 13.912 5.356 1.00 0.65 C ATOM 0 H THR A 27 0.340 11.903 2.824 1.00 0.25 H new ATOM 0 HA THR A 27 0.929 14.348 4.313 1.00 0.23 H new ATOM 0 HB THR A 27 3.061 12.235 4.055 1.00 0.30 H new ATOM 0 HG1 THR A 27 1.094 12.495 6.139 1.00 0.60 H new ATOM 0 HG21 THR A 27 4.037 13.440 5.972 1.00 0.65 H new ATOM 0 HG22 THR A 27 3.749 14.521 4.588 1.00 0.65 H new ATOM 0 HG23 THR A 27 2.642 14.544 5.982 1.00 0.65 H new ATOM 428 N ARG A 28 2.610 14.988 2.424 1.00 0.26 N ATOM 429 CA ARG A 28 3.219 15.470 1.192 1.00 0.29 C ATOM 430 C ARG A 28 4.738 15.471 1.307 1.00 0.29 C ATOM 431 O ARG A 28 5.290 15.908 2.320 1.00 0.39 O ATOM 432 CB ARG A 28 2.712 16.877 0.862 1.00 0.36 C ATOM 433 CG ARG A 28 3.185 17.949 1.836 1.00 0.44 C ATOM 434 CD ARG A 28 2.380 19.228 1.685 1.00 0.57 C ATOM 435 NE ARG A 28 0.989 19.058 2.112 1.00 0.66 N ATOM 436 CZ ARG A 28 0.530 19.370 3.332 1.00 0.85 C ATOM 437 NH1 ARG A 28 1.349 19.865 4.256 1.00 1.04 N ATOM 438 NH2 ARG A 28 -0.755 19.190 3.627 1.00 1.12 N ATOM 0 H ARG A 28 2.772 15.584 3.235 1.00 0.26 H new ATOM 0 HA ARG A 28 2.935 14.796 0.384 1.00 0.29 H new ATOM 0 HB2 ARG A 28 3.039 17.144 -0.143 1.00 0.36 H new ATOM 0 HB3 ARG A 28 1.622 16.866 0.850 1.00 0.36 H new ATOM 0 HG2 ARG A 28 3.096 17.580 2.858 1.00 0.44 H new ATOM 0 HG3 ARG A 28 4.241 18.159 1.664 1.00 0.44 H new ATOM 0 HD2 ARG A 28 2.845 20.020 2.273 1.00 0.57 H new ATOM 0 HD3 ARG A 28 2.402 19.549 0.644 1.00 0.57 H new ATOM 0 HE ARG A 28 0.326 18.677 1.437 1.00 0.66 H new ATOM 0 HH11 ARG A 28 2.335 20.010 4.039 1.00 1.04 H new ATOM 0 HH12 ARG A 28 0.991 20.100 5.182 1.00 1.04 H new ATOM 0 HH21 ARG A 28 -1.392 18.814 2.924 1.00 1.12 H new ATOM 0 HH22 ARG A 28 -1.103 19.428 4.556 1.00 1.12 H new ATOM 452 N ASP A 29 5.400 14.970 0.272 1.00 0.27 N ATOM 453 CA ASP A 29 6.857 14.907 0.239 1.00 0.29 C ATOM 454 C ASP A 29 7.337 14.849 -1.207 1.00 0.30 C ATOM 455 O ASP A 29 6.536 14.658 -2.128 1.00 0.37 O ATOM 456 CB ASP A 29 7.363 13.680 1.010 1.00 0.31 C ATOM 457 CG ASP A 29 8.767 13.865 1.559 1.00 0.39 C ATOM 458 OD1 ASP A 29 9.729 13.898 0.763 1.00 0.47 O ATOM 459 OD2 ASP A 29 8.914 13.981 2.793 1.00 0.53 O ATOM 0 H ASP A 29 4.947 14.598 -0.563 1.00 0.27 H new ATOM 0 HA ASP A 29 7.256 15.802 0.716 1.00 0.29 H new ATOM 0 HB2 ASP A 29 6.681 13.468 1.834 1.00 0.31 H new ATOM 0 HB3 ASP A 29 7.347 12.811 0.352 1.00 0.31 H new ATOM 464 N ARG A 30 8.638 14.997 -1.406 1.00 0.35 N ATOM 465 CA ARG A 30 9.218 14.972 -2.741 1.00 0.39 C ATOM 466 C ARG A 30 9.272 13.539 -3.270 1.00 0.37 C ATOM 467 O ARG A 30 10.343 12.949 -3.402 1.00 0.41 O ATOM 468 CB ARG A 30 10.615 15.608 -2.724 1.00 0.48 C ATOM 469 CG ARG A 30 11.367 15.511 -4.045 1.00 0.53 C ATOM 470 CD ARG A 30 10.507 15.957 -5.220 1.00 0.62 C ATOM 471 NE ARG A 30 11.153 15.691 -6.505 1.00 0.72 N ATOM 472 CZ ARG A 30 10.647 16.045 -7.690 1.00 0.86 C ATOM 473 NH1 ARG A 30 9.488 16.701 -7.757 1.00 1.07 N ATOM 474 NH2 ARG A 30 11.299 15.748 -8.809 1.00 1.02 N ATOM 0 H ARG A 30 9.315 15.136 -0.656 1.00 0.35 H new ATOM 0 HA ARG A 30 8.587 15.555 -3.412 1.00 0.39 H new ATOM 0 HB2 ARG A 30 10.519 16.659 -2.451 1.00 0.48 H new ATOM 0 HB3 ARG A 30 11.209 15.129 -1.946 1.00 0.48 H new ATOM 0 HG2 ARG A 30 12.265 16.127 -3.998 1.00 0.53 H new ATOM 0 HG3 ARG A 30 11.693 14.483 -4.203 1.00 0.53 H new ATOM 0 HD2 ARG A 30 9.547 15.441 -5.183 1.00 0.62 H new ATOM 0 HD3 ARG A 30 10.299 17.023 -5.133 1.00 0.62 H new ATOM 0 HE ARG A 30 12.049 15.203 -6.496 1.00 0.72 H new ATOM 0 HH11 ARG A 30 8.984 16.935 -6.902 1.00 1.07 H new ATOM 0 HH12 ARG A 30 9.105 16.969 -8.664 1.00 1.07 H new ATOM 0 HH21 ARG A 30 12.187 15.249 -8.764 1.00 1.02 H new ATOM 0 HH22 ARG A 30 10.911 16.019 -9.713 1.00 1.02 H new ATOM 488 N SER A 31 8.098 12.988 -3.567 1.00 0.44 N ATOM 489 CA SER A 31 7.999 11.624 -4.072 1.00 0.51 C ATOM 490 C SER A 31 8.752 10.666 -3.149 1.00 0.51 C ATOM 491 O SER A 31 9.552 9.845 -3.601 1.00 0.86 O ATOM 492 CB SER A 31 8.555 11.548 -5.502 1.00 0.65 C ATOM 493 OG SER A 31 7.932 12.509 -6.346 1.00 0.74 O ATOM 0 H SER A 31 7.203 13.466 -3.466 1.00 0.44 H new ATOM 0 HA SER A 31 6.950 11.329 -4.094 1.00 0.51 H new ATOM 0 HB2 SER A 31 9.632 11.717 -5.486 1.00 0.65 H new ATOM 0 HB3 SER A 31 8.395 10.548 -5.905 1.00 0.65 H new ATOM 0 HG SER A 31 8.305 12.441 -7.250 1.00 0.74 H new ATOM 499 N ASP A 32 8.479 10.772 -1.852 1.00 0.47 N ATOM 500 CA ASP A 32 9.148 9.940 -0.857 1.00 0.47 C ATOM 501 C ASP A 32 8.146 9.404 0.165 1.00 0.49 C ATOM 502 O ASP A 32 6.936 9.464 -0.057 1.00 1.05 O ATOM 503 CB ASP A 32 10.235 10.761 -0.157 1.00 0.57 C ATOM 504 CG ASP A 32 11.454 9.936 0.206 1.00 0.73 C ATOM 505 OD1 ASP A 32 11.325 9.007 1.027 1.00 1.11 O ATOM 506 OD2 ASP A 32 12.549 10.226 -0.331 1.00 0.83 O ATOM 0 H ASP A 32 7.799 11.426 -1.465 1.00 0.47 H new ATOM 0 HA ASP A 32 9.605 9.087 -1.358 1.00 0.47 H new ATOM 0 HB2 ASP A 32 10.538 11.582 -0.807 1.00 0.57 H new ATOM 0 HB3 ASP A 32 9.821 11.206 0.748 1.00 0.57 H new ATOM 511 N GLN A 33 8.654 8.883 1.277 1.00 0.35 N ATOM 512 CA GLN A 33 7.814 8.341 2.336 1.00 0.34 C ATOM 513 C GLN A 33 8.360 8.773 3.703 1.00 0.35 C ATOM 514 O GLN A 33 9.057 9.785 3.802 1.00 0.54 O ATOM 515 CB GLN A 33 7.778 6.814 2.221 1.00 0.45 C ATOM 516 CG GLN A 33 6.465 6.188 2.664 1.00 0.53 C ATOM 517 CD GLN A 33 6.662 4.874 3.396 1.00 0.71 C ATOM 518 OE1 GLN A 33 7.642 4.698 4.122 1.00 0.98 O ATOM 519 NE2 GLN A 33 5.735 3.946 3.212 1.00 0.82 N ATOM 0 H GLN A 33 9.654 8.825 1.468 1.00 0.35 H new ATOM 0 HA GLN A 33 6.798 8.724 2.237 1.00 0.34 H new ATOM 0 HB2 GLN A 33 7.970 6.534 1.185 1.00 0.45 H new ATOM 0 HB3 GLN A 33 8.587 6.396 2.820 1.00 0.45 H new ATOM 0 HG2 GLN A 33 5.935 6.885 3.313 1.00 0.53 H new ATOM 0 HG3 GLN A 33 5.833 6.022 1.791 1.00 0.53 H new ATOM 0 HE21 GLN A 33 4.939 4.134 2.602 1.00 0.82 H new ATOM 0 HE22 GLN A 33 5.817 3.044 3.680 1.00 0.82 H new ATOM 528 N HIS A 34 8.044 8.010 4.757 1.00 0.34 N ATOM 529 CA HIS A 34 8.530 8.310 6.109 1.00 0.39 C ATOM 530 C HIS A 34 10.036 8.590 6.082 1.00 0.37 C ATOM 531 O HIS A 34 10.538 9.409 6.847 1.00 0.50 O ATOM 532 CB HIS A 34 8.233 7.132 7.052 1.00 0.48 C ATOM 533 CG HIS A 34 9.026 7.157 8.330 1.00 0.63 C ATOM 534 ND1 HIS A 34 9.913 6.160 8.690 1.00 0.86 N ATOM 535 CD2 HIS A 34 9.055 8.065 9.336 1.00 0.83 C ATOM 536 CE1 HIS A 34 10.451 6.457 9.863 1.00 0.99 C ATOM 537 NE2 HIS A 34 9.947 7.605 10.273 1.00 0.95 N ATOM 0 H HIS A 34 7.454 7.180 4.699 1.00 0.34 H new ATOM 0 HA HIS A 34 8.013 9.197 6.476 1.00 0.39 H new ATOM 0 HB2 HIS A 34 7.171 7.134 7.296 1.00 0.48 H new ATOM 0 HB3 HIS A 34 8.438 6.199 6.527 1.00 0.48 H new ATOM 0 HD1 HIS A 34 10.120 5.327 8.139 1.00 0.86 H new ATOM 0 HD2 HIS A 34 8.483 8.980 9.390 1.00 0.83 H new ATOM 0 HE1 HIS A 34 11.179 5.861 10.394 1.00 0.99 H new ATOM 546 N ILE A 35 10.731 7.880 5.202 1.00 0.31 N ATOM 547 CA ILE A 35 12.175 8.026 5.020 1.00 0.34 C ATOM 548 C ILE A 35 12.561 7.544 3.624 1.00 0.33 C ATOM 549 O ILE A 35 13.346 8.180 2.929 1.00 0.40 O ATOM 550 CB ILE A 35 12.985 7.236 6.078 1.00 0.39 C ATOM 551 CG1 ILE A 35 12.826 7.874 7.465 1.00 0.42 C ATOM 552 CG2 ILE A 35 14.456 7.169 5.685 1.00 0.52 C ATOM 553 CD1 ILE A 35 13.693 7.245 8.536 1.00 0.51 C ATOM 0 H ILE A 35 10.309 7.182 4.590 1.00 0.31 H new ATOM 0 HA ILE A 35 12.416 9.082 5.142 1.00 0.34 H new ATOM 0 HB ILE A 35 12.594 6.219 6.121 1.00 0.39 H new ATOM 0 HG12 ILE A 35 13.065 8.935 7.395 1.00 0.42 H new ATOM 0 HG13 ILE A 35 11.782 7.802 7.769 1.00 0.42 H new ATOM 0 HG21 ILE A 35 15.009 6.610 6.440 1.00 0.52 H new ATOM 0 HG22 ILE A 35 14.553 6.670 4.721 1.00 0.52 H new ATOM 0 HG23 ILE A 35 14.860 8.179 5.613 1.00 0.52 H new ATOM 0 HD11 ILE A 35 13.523 7.752 9.486 1.00 0.51 H new ATOM 0 HD12 ILE A 35 13.439 6.190 8.637 1.00 0.51 H new ATOM 0 HD13 ILE A 35 14.742 7.340 8.257 1.00 0.51 H new ATOM 565 N GLN A 36 12.005 6.396 3.238 1.00 0.29 N ATOM 566 CA GLN A 36 12.250 5.804 1.932 1.00 0.30 C ATOM 567 C GLN A 36 11.348 4.591 1.757 1.00 0.30 C ATOM 568 O GLN A 36 11.387 3.674 2.576 1.00 0.64 O ATOM 569 CB GLN A 36 13.715 5.384 1.799 1.00 0.37 C ATOM 570 CG GLN A 36 14.115 4.993 0.382 1.00 0.40 C ATOM 571 CD GLN A 36 15.442 4.254 0.325 1.00 0.47 C ATOM 572 OE1 GLN A 36 16.245 4.476 -0.579 1.00 0.76 O ATOM 573 NE2 GLN A 36 15.670 3.345 1.263 1.00 0.61 N ATOM 0 H GLN A 36 11.372 5.853 3.826 1.00 0.29 H new ATOM 0 HA GLN A 36 12.032 6.542 1.160 1.00 0.30 H new ATOM 0 HB2 GLN A 36 14.350 6.204 2.133 1.00 0.37 H new ATOM 0 HB3 GLN A 36 13.904 4.543 2.466 1.00 0.37 H new ATOM 0 HG2 GLN A 36 13.336 4.365 -0.050 1.00 0.40 H new ATOM 0 HG3 GLN A 36 14.178 5.891 -0.233 1.00 0.40 H new ATOM 0 HE21 GLN A 36 14.981 3.187 1.998 1.00 0.61 H new ATOM 0 HE22 GLN A 36 16.534 2.804 1.249 1.00 0.61 H new ATOM 582 N LEU A 37 10.524 4.589 0.721 1.00 0.27 N ATOM 583 CA LEU A 37 9.625 3.466 0.481 1.00 0.25 C ATOM 584 C LEU A 37 10.211 2.529 -0.565 1.00 0.22 C ATOM 585 O LEU A 37 10.420 2.924 -1.716 1.00 0.26 O ATOM 586 CB LEU A 37 8.245 3.957 0.034 1.00 0.33 C ATOM 587 CG LEU A 37 7.089 2.982 0.271 1.00 0.42 C ATOM 588 CD1 LEU A 37 5.763 3.642 -0.072 1.00 0.57 C ATOM 589 CD2 LEU A 37 7.281 1.714 -0.544 1.00 0.53 C ATOM 0 H LEU A 37 10.457 5.343 0.038 1.00 0.27 H new ATOM 0 HA LEU A 37 9.510 2.920 1.417 1.00 0.25 H new ATOM 0 HB2 LEU A 37 8.024 4.889 0.555 1.00 0.33 H new ATOM 0 HB3 LEU A 37 8.289 4.189 -1.030 1.00 0.33 H new ATOM 0 HG LEU A 37 7.078 2.710 1.326 1.00 0.42 H new ATOM 0 HD11 LEU A 37 4.950 2.937 0.101 1.00 0.57 H new ATOM 0 HD12 LEU A 37 5.621 4.521 0.556 1.00 0.57 H new ATOM 0 HD13 LEU A 37 5.766 3.942 -1.120 1.00 0.57 H new ATOM 0 HD21 LEU A 37 6.449 1.034 -0.361 1.00 0.53 H new ATOM 0 HD22 LEU A 37 7.318 1.965 -1.604 1.00 0.53 H new ATOM 0 HD23 LEU A 37 8.214 1.232 -0.252 1.00 0.53 H new ATOM 601 N GLN A 38 10.483 1.296 -0.157 1.00 0.23 N ATOM 602 CA GLN A 38 11.040 0.293 -1.050 1.00 0.27 C ATOM 603 C GLN A 38 9.979 -0.738 -1.410 1.00 0.24 C ATOM 604 O GLN A 38 9.474 -1.449 -0.539 1.00 0.32 O ATOM 605 CB GLN A 38 12.244 -0.388 -0.396 1.00 0.38 C ATOM 606 CG GLN A 38 13.515 0.445 -0.441 1.00 0.51 C ATOM 607 CD GLN A 38 14.365 0.289 0.806 1.00 0.62 C ATOM 608 OE1 GLN A 38 13.846 0.145 1.914 1.00 1.05 O ATOM 609 NE2 GLN A 38 15.678 0.308 0.637 1.00 0.75 N ATOM 0 H GLN A 38 10.325 0.967 0.795 1.00 0.23 H new ATOM 0 HA GLN A 38 11.373 0.784 -1.964 1.00 0.27 H new ATOM 0 HB2 GLN A 38 12.003 -0.612 0.643 1.00 0.38 H new ATOM 0 HB3 GLN A 38 12.426 -1.340 -0.894 1.00 0.38 H new ATOM 0 HG2 GLN A 38 14.102 0.157 -1.313 1.00 0.51 H new ATOM 0 HG3 GLN A 38 13.251 1.495 -0.566 1.00 0.51 H new ATOM 0 HE21 GLN A 38 16.070 0.429 -0.297 1.00 0.75 H new ATOM 0 HE22 GLN A 38 16.297 0.201 1.440 1.00 0.75 H new ATOM 618 N LEU A 39 9.630 -0.799 -2.690 1.00 0.24 N ATOM 619 CA LEU A 39 8.630 -1.743 -3.173 1.00 0.24 C ATOM 620 C LEU A 39 9.175 -2.514 -4.370 1.00 0.26 C ATOM 621 O LEU A 39 9.188 -1.999 -5.489 1.00 0.34 O ATOM 622 CB LEU A 39 7.343 -1.001 -3.555 1.00 0.26 C ATOM 623 CG LEU A 39 6.079 -1.863 -3.601 1.00 0.34 C ATOM 624 CD1 LEU A 39 4.836 -0.988 -3.585 1.00 0.38 C ATOM 625 CD2 LEU A 39 6.077 -2.750 -4.834 1.00 0.41 C ATOM 0 H LEU A 39 10.028 -0.202 -3.415 1.00 0.24 H new ATOM 0 HA LEU A 39 8.398 -2.451 -2.377 1.00 0.24 H new ATOM 0 HB2 LEU A 39 7.185 -0.192 -2.842 1.00 0.26 H new ATOM 0 HB3 LEU A 39 7.485 -0.541 -4.533 1.00 0.26 H new ATOM 0 HG LEU A 39 6.071 -2.500 -2.716 1.00 0.34 H new ATOM 0 HD11 LEU A 39 3.947 -1.618 -3.618 1.00 0.38 H new ATOM 0 HD12 LEU A 39 4.823 -0.390 -2.673 1.00 0.38 H new ATOM 0 HD13 LEU A 39 4.845 -0.327 -4.452 1.00 0.38 H new ATOM 0 HD21 LEU A 39 5.170 -3.354 -4.846 1.00 0.41 H new ATOM 0 HD22 LEU A 39 6.112 -2.129 -5.729 1.00 0.41 H new ATOM 0 HD23 LEU A 39 6.948 -3.405 -4.813 1.00 0.41 H new ATOM 637 N SER A 40 9.633 -3.739 -4.125 1.00 0.25 N ATOM 638 CA SER A 40 10.203 -4.595 -5.169 1.00 0.28 C ATOM 639 C SER A 40 10.750 -5.891 -4.552 1.00 0.29 C ATOM 640 O SER A 40 10.407 -6.227 -3.418 1.00 0.38 O ATOM 641 CB SER A 40 11.324 -3.851 -5.920 1.00 0.36 C ATOM 642 OG SER A 40 10.804 -3.048 -6.969 1.00 0.55 O ATOM 0 H SER A 40 9.621 -4.168 -3.200 1.00 0.25 H new ATOM 0 HA SER A 40 9.416 -4.848 -5.879 1.00 0.28 H new ATOM 0 HB2 SER A 40 11.878 -3.224 -5.221 1.00 0.36 H new ATOM 0 HB3 SER A 40 12.031 -4.573 -6.329 1.00 0.36 H new ATOM 0 HG SER A 40 10.396 -2.241 -6.592 1.00 0.55 H new ATOM 648 N ALA A 41 11.574 -6.625 -5.308 1.00 0.33 N ATOM 649 CA ALA A 41 12.186 -7.866 -4.830 1.00 0.37 C ATOM 650 C ALA A 41 11.177 -9.011 -4.771 1.00 0.36 C ATOM 651 O ALA A 41 10.733 -9.415 -3.689 1.00 0.76 O ATOM 652 CB ALA A 41 12.851 -7.656 -3.473 1.00 0.46 C ATOM 0 H ALA A 41 11.833 -6.376 -6.263 1.00 0.33 H new ATOM 0 HA ALA A 41 12.955 -8.148 -5.549 1.00 0.37 H new ATOM 0 HB1 ALA A 41 13.299 -8.592 -3.138 1.00 0.46 H new ATOM 0 HB2 ALA A 41 13.626 -6.894 -3.561 1.00 0.46 H new ATOM 0 HB3 ALA A 41 12.104 -7.332 -2.748 1.00 0.46 H new ATOM 658 N GLU A 42 10.821 -9.526 -5.942 1.00 0.35 N ATOM 659 CA GLU A 42 9.876 -10.630 -6.054 1.00 0.30 C ATOM 660 C GLU A 42 9.770 -11.101 -7.503 1.00 0.33 C ATOM 661 O GLU A 42 10.472 -10.587 -8.381 1.00 0.51 O ATOM 662 CB GLU A 42 8.492 -10.218 -5.536 1.00 0.32 C ATOM 663 CG GLU A 42 8.082 -10.920 -4.253 1.00 0.54 C ATOM 664 CD GLU A 42 8.429 -12.398 -4.244 1.00 0.76 C ATOM 665 OE1 GLU A 42 8.328 -13.053 -5.300 1.00 1.01 O ATOM 666 OE2 GLU A 42 8.815 -12.910 -3.173 1.00 1.05 O ATOM 0 H GLU A 42 11.178 -9.192 -6.837 1.00 0.35 H new ATOM 0 HA GLU A 42 10.246 -11.452 -5.442 1.00 0.30 H new ATOM 0 HB2 GLU A 42 8.483 -9.141 -5.368 1.00 0.32 H new ATOM 0 HB3 GLU A 42 7.749 -10.427 -6.306 1.00 0.32 H new ATOM 0 HG2 GLU A 42 8.570 -10.434 -3.408 1.00 0.54 H new ATOM 0 HG3 GLU A 42 7.008 -10.805 -4.110 1.00 0.54 H new ATOM 673 N SER A 43 8.914 -12.086 -7.744 1.00 0.31 N ATOM 674 CA SER A 43 8.711 -12.619 -9.085 1.00 0.38 C ATOM 675 C SER A 43 7.760 -11.713 -9.864 1.00 0.34 C ATOM 676 O SER A 43 6.909 -11.049 -9.268 1.00 0.61 O ATOM 677 CB SER A 43 8.150 -14.045 -9.015 1.00 0.52 C ATOM 678 OG SER A 43 6.807 -14.054 -8.556 1.00 1.04 O ATOM 0 H SER A 43 8.347 -12.534 -7.024 1.00 0.31 H new ATOM 0 HA SER A 43 9.671 -12.652 -9.600 1.00 0.38 H new ATOM 0 HB2 SER A 43 8.202 -14.506 -10.001 1.00 0.52 H new ATOM 0 HB3 SER A 43 8.767 -14.648 -8.349 1.00 0.52 H new ATOM 0 HG SER A 43 6.767 -14.471 -7.670 1.00 1.04 H new ATOM 684 N VAL A 44 7.906 -11.682 -11.187 1.00 0.39 N ATOM 685 CA VAL A 44 7.051 -10.853 -12.035 1.00 0.39 C ATOM 686 C VAL A 44 5.602 -10.875 -11.535 1.00 0.36 C ATOM 687 O VAL A 44 4.933 -11.909 -11.579 1.00 0.59 O ATOM 688 CB VAL A 44 7.108 -11.307 -13.514 1.00 0.52 C ATOM 689 CG1 VAL A 44 6.701 -12.766 -13.659 1.00 0.60 C ATOM 690 CG2 VAL A 44 6.230 -10.419 -14.380 1.00 0.58 C ATOM 0 H VAL A 44 8.608 -12.221 -11.695 1.00 0.39 H new ATOM 0 HA VAL A 44 7.429 -9.832 -11.978 1.00 0.39 H new ATOM 0 HB VAL A 44 8.139 -11.212 -13.853 1.00 0.52 H new ATOM 0 HG11 VAL A 44 6.751 -13.055 -14.709 1.00 0.60 H new ATOM 0 HG12 VAL A 44 7.378 -13.392 -13.078 1.00 0.60 H new ATOM 0 HG13 VAL A 44 5.682 -12.897 -13.295 1.00 0.60 H new ATOM 0 HG21 VAL A 44 6.283 -10.754 -15.416 1.00 0.58 H new ATOM 0 HG22 VAL A 44 5.199 -10.477 -14.032 1.00 0.58 H new ATOM 0 HG23 VAL A 44 6.578 -9.388 -14.314 1.00 0.58 H new ATOM 700 N GLY A 45 5.141 -9.734 -11.031 1.00 0.32 N ATOM 701 CA GLY A 45 3.786 -9.635 -10.516 1.00 0.33 C ATOM 702 C GLY A 45 3.758 -9.471 -9.006 1.00 0.28 C ATOM 703 O GLY A 45 2.950 -8.709 -8.471 1.00 0.33 O ATOM 0 H GLY A 45 5.684 -8.873 -10.970 1.00 0.32 H new ATOM 0 HA2 GLY A 45 3.283 -8.787 -10.981 1.00 0.33 H new ATOM 0 HA3 GLY A 45 3.227 -10.529 -10.793 1.00 0.33 H new ATOM 707 N GLU A 46 4.658 -10.173 -8.321 1.00 0.27 N ATOM 708 CA GLU A 46 4.737 -10.112 -6.866 1.00 0.28 C ATOM 709 C GLU A 46 5.676 -8.985 -6.448 1.00 0.24 C ATOM 710 O GLU A 46 6.638 -8.677 -7.161 1.00 0.31 O ATOM 711 CB GLU A 46 5.232 -11.447 -6.302 1.00 0.39 C ATOM 712 CG GLU A 46 4.486 -12.650 -6.854 1.00 0.51 C ATOM 713 CD GLU A 46 4.774 -13.925 -6.093 1.00 0.64 C ATOM 714 OE1 GLU A 46 5.910 -14.433 -6.172 1.00 0.86 O ATOM 715 OE2 GLU A 46 3.862 -14.437 -5.421 1.00 0.82 O ATOM 0 H GLU A 46 5.344 -10.792 -8.753 1.00 0.27 H new ATOM 0 HA GLU A 46 3.742 -9.916 -6.466 1.00 0.28 H new ATOM 0 HB2 GLU A 46 6.294 -11.555 -6.523 1.00 0.39 H new ATOM 0 HB3 GLU A 46 5.132 -11.434 -5.217 1.00 0.39 H new ATOM 0 HG2 GLU A 46 3.415 -12.451 -6.825 1.00 0.51 H new ATOM 0 HG3 GLU A 46 4.757 -12.789 -7.901 1.00 0.51 H new ATOM 722 N VAL A 47 5.408 -8.370 -5.304 1.00 0.22 N ATOM 723 CA VAL A 47 6.243 -7.276 -4.832 1.00 0.25 C ATOM 724 C VAL A 47 6.340 -7.247 -3.309 1.00 0.23 C ATOM 725 O VAL A 47 5.383 -7.577 -2.602 1.00 0.29 O ATOM 726 CB VAL A 47 5.712 -5.911 -5.318 1.00 0.32 C ATOM 727 CG1 VAL A 47 5.792 -5.804 -6.837 1.00 0.35 C ATOM 728 CG2 VAL A 47 4.283 -5.681 -4.834 1.00 0.35 C ATOM 0 H VAL A 47 4.627 -8.607 -4.692 1.00 0.22 H new ATOM 0 HA VAL A 47 7.235 -7.452 -5.248 1.00 0.25 H new ATOM 0 HB VAL A 47 6.345 -5.133 -4.891 1.00 0.32 H new ATOM 0 HG11 VAL A 47 5.412 -4.833 -7.154 1.00 0.35 H new ATOM 0 HG12 VAL A 47 6.829 -5.909 -7.155 1.00 0.35 H new ATOM 0 HG13 VAL A 47 5.192 -6.594 -7.289 1.00 0.35 H new ATOM 0 HG21 VAL A 47 3.930 -4.713 -5.189 1.00 0.35 H new ATOM 0 HG22 VAL A 47 3.636 -6.468 -5.223 1.00 0.35 H new ATOM 0 HG23 VAL A 47 4.261 -5.698 -3.744 1.00 0.35 H new ATOM 738 N TYR A 48 7.510 -6.858 -2.813 1.00 0.22 N ATOM 739 CA TYR A 48 7.747 -6.745 -1.382 1.00 0.22 C ATOM 740 C TYR A 48 7.763 -5.266 -1.015 1.00 0.22 C ATOM 741 O TYR A 48 8.450 -4.473 -1.667 1.00 0.29 O ATOM 742 CB TYR A 48 9.074 -7.406 -1.001 1.00 0.25 C ATOM 743 CG TYR A 48 9.159 -7.824 0.451 1.00 0.35 C ATOM 744 CD1 TYR A 48 8.728 -9.081 0.857 1.00 0.49 C ATOM 745 CD2 TYR A 48 9.676 -6.966 1.414 1.00 0.58 C ATOM 746 CE1 TYR A 48 8.811 -9.472 2.179 1.00 0.66 C ATOM 747 CE2 TYR A 48 9.759 -7.350 2.739 1.00 0.74 C ATOM 748 CZ TYR A 48 9.327 -8.605 3.116 1.00 0.72 C ATOM 749 OH TYR A 48 9.415 -8.993 4.435 1.00 0.92 O ATOM 0 H TYR A 48 8.315 -6.614 -3.390 1.00 0.22 H new ATOM 0 HA TYR A 48 6.955 -7.256 -0.835 1.00 0.22 H new ATOM 0 HB2 TYR A 48 9.225 -8.283 -1.630 1.00 0.25 H new ATOM 0 HB3 TYR A 48 9.888 -6.714 -1.218 1.00 0.25 H new ATOM 0 HD1 TYR A 48 8.321 -9.764 0.126 1.00 0.49 H new ATOM 0 HD2 TYR A 48 10.018 -5.984 1.123 1.00 0.58 H new ATOM 0 HE1 TYR A 48 8.473 -10.454 2.477 1.00 0.66 H new ATOM 0 HE2 TYR A 48 10.160 -6.671 3.476 1.00 0.74 H new ATOM 0 HH TYR A 48 8.564 -8.812 4.887 1.00 0.92 H new ATOM 759 N ILE A 49 7.012 -4.895 0.016 1.00 0.21 N ATOM 760 CA ILE A 49 6.920 -3.495 0.426 1.00 0.22 C ATOM 761 C ILE A 49 7.655 -3.228 1.737 1.00 0.23 C ATOM 762 O ILE A 49 7.256 -3.712 2.795 1.00 0.37 O ATOM 763 CB ILE A 49 5.449 -3.043 0.577 1.00 0.26 C ATOM 764 CG1 ILE A 49 4.618 -3.513 -0.622 1.00 0.31 C ATOM 765 CG2 ILE A 49 5.367 -1.527 0.726 1.00 0.30 C ATOM 766 CD1 ILE A 49 3.148 -3.176 -0.513 1.00 0.38 C ATOM 0 H ILE A 49 6.460 -5.539 0.582 1.00 0.21 H new ATOM 0 HA ILE A 49 7.397 -2.919 -0.367 1.00 0.22 H new ATOM 0 HB ILE A 49 5.039 -3.498 1.479 1.00 0.26 H new ATOM 0 HG12 ILE A 49 5.019 -3.062 -1.530 1.00 0.31 H new ATOM 0 HG13 ILE A 49 4.727 -4.592 -0.728 1.00 0.31 H new ATOM 0 HG21 ILE A 49 4.324 -1.228 0.831 1.00 0.30 H new ATOM 0 HG22 ILE A 49 5.924 -1.218 1.610 1.00 0.30 H new ATOM 0 HG23 ILE A 49 5.794 -1.051 -0.157 1.00 0.30 H new ATOM 0 HD11 ILE A 49 2.625 -3.540 -1.397 1.00 0.38 H new ATOM 0 HD12 ILE A 49 2.731 -3.650 0.376 1.00 0.38 H new ATOM 0 HD13 ILE A 49 3.027 -2.095 -0.439 1.00 0.38 H new ATOM 778 N LYS A 50 8.726 -2.444 1.662 1.00 0.21 N ATOM 779 CA LYS A 50 9.502 -2.091 2.842 1.00 0.25 C ATOM 780 C LYS A 50 9.521 -0.574 3.027 1.00 0.21 C ATOM 781 O LYS A 50 10.143 0.152 2.246 1.00 0.26 O ATOM 782 CB LYS A 50 10.932 -2.632 2.743 1.00 0.34 C ATOM 783 CG LYS A 50 11.739 -2.457 4.025 1.00 0.49 C ATOM 784 CD LYS A 50 13.007 -3.305 4.023 1.00 0.73 C ATOM 785 CE LYS A 50 14.125 -2.674 3.200 1.00 1.35 C ATOM 786 NZ LYS A 50 14.588 -1.379 3.775 1.00 1.74 N ATOM 0 H LYS A 50 9.076 -2.041 0.793 1.00 0.21 H new ATOM 0 HA LYS A 50 9.027 -2.548 3.710 1.00 0.25 H new ATOM 0 HB2 LYS A 50 10.894 -3.691 2.489 1.00 0.34 H new ATOM 0 HB3 LYS A 50 11.448 -2.126 1.927 1.00 0.34 H new ATOM 0 HG2 LYS A 50 12.005 -1.407 4.145 1.00 0.49 H new ATOM 0 HG3 LYS A 50 11.122 -2.729 4.882 1.00 0.49 H new ATOM 0 HD2 LYS A 50 13.349 -3.446 5.048 1.00 0.73 H new ATOM 0 HD3 LYS A 50 12.779 -4.294 3.625 1.00 0.73 H new ATOM 0 HE2 LYS A 50 14.966 -3.365 3.143 1.00 1.35 H new ATOM 0 HE3 LYS A 50 13.776 -2.512 2.180 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 14.399 -0.612 3.099 1.00 1.74 H new ATOM 0 HZ2 LYS A 50 14.080 -1.192 4.663 1.00 1.74 H new ATOM 0 HZ3 LYS A 50 15.609 -1.429 3.965 1.00 1.74 H new ATOM 800 N SER A 51 8.813 -0.099 4.042 1.00 0.24 N ATOM 801 CA SER A 51 8.753 1.326 4.338 1.00 0.25 C ATOM 802 C SER A 51 9.918 1.718 5.241 1.00 0.25 C ATOM 803 O SER A 51 10.089 1.146 6.314 1.00 0.33 O ATOM 804 CB SER A 51 7.419 1.678 5.004 1.00 0.32 C ATOM 805 OG SER A 51 6.334 1.533 4.094 1.00 0.53 O ATOM 0 H SER A 51 8.269 -0.683 4.678 1.00 0.24 H new ATOM 0 HA SER A 51 8.828 1.883 3.404 1.00 0.25 H new ATOM 0 HB2 SER A 51 7.260 1.034 5.869 1.00 0.32 H new ATOM 0 HB3 SER A 51 7.453 2.703 5.373 1.00 0.32 H new ATOM 0 HG SER A 51 6.671 1.569 3.175 1.00 0.53 H new ATOM 811 N THR A 52 10.713 2.687 4.793 1.00 0.24 N ATOM 812 CA THR A 52 11.874 3.162 5.539 1.00 0.28 C ATOM 813 C THR A 52 13.050 2.206 5.342 1.00 0.28 C ATOM 814 O THR A 52 12.884 0.987 5.388 1.00 0.34 O ATOM 815 CB THR A 52 11.575 3.319 7.054 1.00 0.32 C ATOM 816 OG1 THR A 52 10.363 4.075 7.250 1.00 0.35 O ATOM 817 CG2 THR A 52 12.727 4.011 7.770 1.00 0.38 C ATOM 0 H THR A 52 10.570 3.164 3.903 1.00 0.24 H new ATOM 0 HA THR A 52 12.128 4.148 5.149 1.00 0.28 H new ATOM 0 HB THR A 52 11.452 2.321 7.475 1.00 0.32 H new ATOM 0 HG1 THR A 52 10.249 4.708 6.510 1.00 0.35 H new ATOM 0 HG21 THR A 52 12.491 4.108 8.830 1.00 0.38 H new ATOM 0 HG22 THR A 52 13.635 3.420 7.653 1.00 0.38 H new ATOM 0 HG23 THR A 52 12.880 5.001 7.340 1.00 0.38 H new ATOM 825 N GLU A 53 14.234 2.763 5.101 1.00 0.31 N ATOM 826 CA GLU A 53 15.427 1.949 4.895 1.00 0.35 C ATOM 827 C GLU A 53 15.601 0.961 6.046 1.00 0.31 C ATOM 828 O GLU A 53 15.782 -0.240 5.828 1.00 0.37 O ATOM 829 CB GLU A 53 16.664 2.842 4.768 1.00 0.43 C ATOM 830 CG GLU A 53 17.892 2.111 4.256 1.00 0.47 C ATOM 831 CD GLU A 53 17.651 1.429 2.924 1.00 0.57 C ATOM 832 OE1 GLU A 53 17.142 0.289 2.914 1.00 0.74 O ATOM 833 OE2 GLU A 53 17.959 2.033 1.875 1.00 0.73 O ATOM 0 H GLU A 53 14.392 3.769 5.044 1.00 0.31 H new ATOM 0 HA GLU A 53 15.308 1.386 3.969 1.00 0.35 H new ATOM 0 HB2 GLU A 53 16.437 3.669 4.095 1.00 0.43 H new ATOM 0 HB3 GLU A 53 16.890 3.276 5.742 1.00 0.43 H new ATOM 0 HG2 GLU A 53 18.715 2.818 4.154 1.00 0.47 H new ATOM 0 HG3 GLU A 53 18.200 1.367 4.991 1.00 0.47 H new ATOM 840 N THR A 54 15.533 1.477 7.266 1.00 0.28 N ATOM 841 CA THR A 54 15.671 0.661 8.460 1.00 0.31 C ATOM 842 C THR A 54 14.858 1.260 9.606 1.00 0.33 C ATOM 843 O THR A 54 14.867 2.475 9.807 1.00 0.52 O ATOM 844 CB THR A 54 17.154 0.542 8.882 1.00 0.40 C ATOM 845 OG1 THR A 54 17.917 1.610 8.299 1.00 0.63 O ATOM 846 CG2 THR A 54 17.744 -0.795 8.455 1.00 0.68 C ATOM 0 H THR A 54 15.381 2.468 7.453 1.00 0.28 H new ATOM 0 HA THR A 54 15.294 -0.336 8.231 1.00 0.31 H new ATOM 0 HB THR A 54 17.200 0.607 9.969 1.00 0.40 H new ATOM 0 HG1 THR A 54 18.855 1.529 8.572 1.00 0.63 H new ATOM 0 HG21 THR A 54 18.787 -0.848 8.766 1.00 0.68 H new ATOM 0 HG22 THR A 54 17.184 -1.605 8.922 1.00 0.68 H new ATOM 0 HG23 THR A 54 17.683 -0.890 7.371 1.00 0.68 H new ATOM 854 N GLY A 55 14.134 0.413 10.333 1.00 0.39 N ATOM 855 CA GLY A 55 13.332 0.892 11.450 1.00 0.44 C ATOM 856 C GLY A 55 11.840 0.651 11.273 1.00 0.42 C ATOM 857 O GLY A 55 11.089 0.663 12.250 1.00 0.76 O ATOM 0 H GLY A 55 14.087 -0.593 10.171 1.00 0.39 H new ATOM 0 HA2 GLY A 55 13.666 0.400 12.364 1.00 0.44 H new ATOM 0 HA3 GLY A 55 13.507 1.960 11.581 1.00 0.44 H new ATOM 861 N GLN A 56 11.400 0.439 10.036 1.00 0.34 N ATOM 862 CA GLN A 56 9.987 0.197 9.762 1.00 0.30 C ATOM 863 C GLN A 56 9.806 -1.049 8.908 1.00 0.27 C ATOM 864 O GLN A 56 10.748 -1.516 8.268 1.00 0.38 O ATOM 865 CB GLN A 56 9.353 1.414 9.083 1.00 0.37 C ATOM 866 CG GLN A 56 9.047 2.550 10.043 1.00 0.49 C ATOM 867 CD GLN A 56 8.044 2.152 11.111 1.00 0.76 C ATOM 868 OE1 GLN A 56 6.841 2.345 10.948 1.00 1.02 O ATOM 869 NE2 GLN A 56 8.530 1.586 12.209 1.00 0.89 N ATOM 0 H GLN A 56 11.999 0.430 9.210 1.00 0.34 H new ATOM 0 HA GLN A 56 9.481 0.032 10.713 1.00 0.30 H new ATOM 0 HB2 GLN A 56 10.024 1.777 8.305 1.00 0.37 H new ATOM 0 HB3 GLN A 56 8.431 1.106 8.590 1.00 0.37 H new ATOM 0 HG2 GLN A 56 9.971 2.877 10.520 1.00 0.49 H new ATOM 0 HG3 GLN A 56 8.659 3.401 9.483 1.00 0.49 H new ATOM 0 HE21 GLN A 56 9.535 1.443 12.307 1.00 0.89 H new ATOM 0 HE22 GLN A 56 7.898 1.294 12.955 1.00 0.89 H new ATOM 878 N TYR A 57 8.596 -1.590 8.918 1.00 0.24 N ATOM 879 CA TYR A 57 8.279 -2.791 8.161 1.00 0.23 C ATOM 880 C TYR A 57 6.814 -2.775 7.742 1.00 0.25 C ATOM 881 O TYR A 57 5.924 -2.897 8.582 1.00 0.42 O ATOM 882 CB TYR A 57 8.570 -4.021 9.021 1.00 0.26 C ATOM 883 CG TYR A 57 8.416 -5.346 8.309 1.00 0.35 C ATOM 884 CD1 TYR A 57 7.159 -5.867 8.028 1.00 0.54 C ATOM 885 CD2 TYR A 57 9.530 -6.088 7.941 1.00 0.53 C ATOM 886 CE1 TYR A 57 7.018 -7.086 7.395 1.00 0.73 C ATOM 887 CE2 TYR A 57 9.397 -7.310 7.313 1.00 0.73 C ATOM 888 CZ TYR A 57 8.138 -7.805 7.043 1.00 0.79 C ATOM 889 OH TYR A 57 8.004 -9.031 6.433 1.00 1.03 O ATOM 0 H TYR A 57 7.811 -1.211 9.448 1.00 0.24 H new ATOM 0 HA TYR A 57 8.894 -2.826 7.262 1.00 0.23 H new ATOM 0 HB2 TYR A 57 9.588 -3.947 9.403 1.00 0.26 H new ATOM 0 HB3 TYR A 57 7.904 -4.009 9.884 1.00 0.26 H new ATOM 0 HD1 TYR A 57 6.278 -5.309 8.309 1.00 0.54 H new ATOM 0 HD2 TYR A 57 10.517 -5.703 8.150 1.00 0.53 H new ATOM 0 HE1 TYR A 57 6.034 -7.474 7.177 1.00 0.73 H new ATOM 0 HE2 TYR A 57 10.274 -7.876 7.035 1.00 0.73 H new ATOM 0 HH TYR A 57 8.891 -9.390 6.222 1.00 1.03 H new ATOM 899 N LEU A 58 6.570 -2.621 6.449 1.00 0.20 N ATOM 900 CA LEU A 58 5.207 -2.580 5.935 1.00 0.22 C ATOM 901 C LEU A 58 4.592 -3.971 5.966 1.00 0.23 C ATOM 902 O LEU A 58 5.031 -4.874 5.247 1.00 0.30 O ATOM 903 CB LEU A 58 5.183 -2.016 4.510 1.00 0.27 C ATOM 904 CG LEU A 58 3.815 -1.530 4.010 1.00 0.32 C ATOM 905 CD1 LEU A 58 2.843 -2.695 3.866 1.00 0.39 C ATOM 906 CD2 LEU A 58 3.248 -0.467 4.947 1.00 0.38 C ATOM 0 H LEU A 58 7.295 -2.523 5.738 1.00 0.20 H new ATOM 0 HA LEU A 58 4.617 -1.922 6.573 1.00 0.22 H new ATOM 0 HB2 LEU A 58 5.886 -1.184 4.456 1.00 0.27 H new ATOM 0 HB3 LEU A 58 5.546 -2.785 3.828 1.00 0.27 H new ATOM 0 HG LEU A 58 3.953 -1.082 3.026 1.00 0.32 H new ATOM 0 HD11 LEU A 58 1.881 -2.325 3.511 1.00 0.39 H new ATOM 0 HD12 LEU A 58 3.241 -3.415 3.151 1.00 0.39 H new ATOM 0 HD13 LEU A 58 2.710 -3.180 4.833 1.00 0.39 H new ATOM 0 HD21 LEU A 58 2.278 -0.135 4.576 1.00 0.38 H new ATOM 0 HD22 LEU A 58 3.130 -0.888 5.946 1.00 0.38 H new ATOM 0 HD23 LEU A 58 3.930 0.382 4.989 1.00 0.38 H new ATOM 918 N ALA A 59 3.584 -4.144 6.809 1.00 0.23 N ATOM 919 CA ALA A 59 2.908 -5.422 6.936 1.00 0.27 C ATOM 920 C ALA A 59 1.404 -5.227 7.073 1.00 0.24 C ATOM 921 O ALA A 59 0.945 -4.241 7.658 1.00 0.26 O ATOM 922 CB ALA A 59 3.452 -6.189 8.128 1.00 0.35 C ATOM 0 H ALA A 59 3.217 -3.411 7.416 1.00 0.23 H new ATOM 0 HA ALA A 59 3.096 -6.000 6.031 1.00 0.27 H new ATOM 0 HB1 ALA A 59 2.936 -7.146 8.211 1.00 0.35 H new ATOM 0 HB2 ALA A 59 4.519 -6.363 7.992 1.00 0.35 H new ATOM 0 HB3 ALA A 59 3.292 -5.610 9.037 1.00 0.35 H new ATOM 928 N MET A 60 0.641 -6.163 6.527 1.00 0.28 N ATOM 929 CA MET A 60 -0.811 -6.103 6.595 1.00 0.30 C ATOM 930 C MET A 60 -1.325 -7.012 7.705 1.00 0.26 C ATOM 931 O MET A 60 -0.717 -8.044 8.000 1.00 0.44 O ATOM 932 CB MET A 60 -1.432 -6.515 5.256 1.00 0.40 C ATOM 933 CG MET A 60 -1.258 -7.992 4.920 1.00 0.73 C ATOM 934 SD MET A 60 -2.100 -8.464 3.396 1.00 0.93 S ATOM 935 CE MET A 60 -3.791 -8.032 3.797 1.00 1.97 C ATOM 0 H MET A 60 1.006 -6.976 6.030 1.00 0.28 H new ATOM 0 HA MET A 60 -1.101 -5.075 6.813 1.00 0.30 H new ATOM 0 HB2 MET A 60 -2.496 -6.280 5.273 1.00 0.40 H new ATOM 0 HB3 MET A 60 -0.986 -5.917 4.461 1.00 0.40 H new ATOM 0 HG2 MET A 60 -0.195 -8.216 4.828 1.00 0.73 H new ATOM 0 HG3 MET A 60 -1.641 -8.595 5.743 1.00 0.73 H new ATOM 0 HE1 MET A 60 -4.470 -8.739 3.320 1.00 1.97 H new ATOM 0 HE2 MET A 60 -3.930 -8.069 4.878 1.00 1.97 H new ATOM 0 HE3 MET A 60 -4.004 -7.025 3.438 1.00 1.97 H new ATOM 945 N ASP A 61 -2.428 -6.623 8.329 1.00 0.30 N ATOM 946 CA ASP A 61 -3.013 -7.425 9.395 1.00 0.31 C ATOM 947 C ASP A 61 -3.991 -8.440 8.813 1.00 0.29 C ATOM 948 O ASP A 61 -4.623 -8.182 7.784 1.00 0.34 O ATOM 949 CB ASP A 61 -3.721 -6.548 10.426 1.00 0.42 C ATOM 950 CG ASP A 61 -4.360 -7.378 11.522 1.00 0.68 C ATOM 951 OD1 ASP A 61 -3.643 -7.803 12.447 1.00 0.94 O ATOM 952 OD2 ASP A 61 -5.578 -7.624 11.450 1.00 0.96 O ATOM 0 H ASP A 61 -2.933 -5.763 8.118 1.00 0.30 H new ATOM 0 HA ASP A 61 -2.204 -7.953 9.900 1.00 0.31 H new ATOM 0 HB2 ASP A 61 -3.006 -5.853 10.866 1.00 0.42 H new ATOM 0 HB3 ASP A 61 -4.485 -5.948 9.931 1.00 0.42 H new ATOM 957 N THR A 62 -4.107 -9.585 9.466 1.00 0.37 N ATOM 958 CA THR A 62 -5.001 -10.644 9.011 1.00 0.44 C ATOM 959 C THR A 62 -6.454 -10.162 8.889 1.00 0.41 C ATOM 960 O THR A 62 -7.155 -10.542 7.949 1.00 0.50 O ATOM 961 CB THR A 62 -4.936 -11.872 9.949 1.00 0.59 C ATOM 962 OG1 THR A 62 -5.736 -12.944 9.426 1.00 0.85 O ATOM 963 CG2 THR A 62 -5.401 -11.519 11.355 1.00 0.74 C ATOM 0 H THR A 62 -3.591 -9.808 10.317 1.00 0.37 H new ATOM 0 HA THR A 62 -4.657 -10.935 8.019 1.00 0.44 H new ATOM 0 HB THR A 62 -3.896 -12.193 10.003 1.00 0.59 H new ATOM 0 HG1 THR A 62 -5.684 -13.715 10.029 1.00 0.85 H new ATOM 0 HG21 THR A 62 -5.343 -12.403 11.990 1.00 0.74 H new ATOM 0 HG22 THR A 62 -4.762 -10.736 11.764 1.00 0.74 H new ATOM 0 HG23 THR A 62 -6.431 -11.164 11.319 1.00 0.74 H new ATOM 971 N ASP A 63 -6.892 -9.311 9.815 1.00 0.36 N ATOM 972 CA ASP A 63 -8.263 -8.810 9.802 1.00 0.41 C ATOM 973 C ASP A 63 -8.519 -7.928 8.580 1.00 0.40 C ATOM 974 O ASP A 63 -9.132 -8.371 7.607 1.00 0.65 O ATOM 975 CB ASP A 63 -8.567 -8.043 11.090 1.00 0.47 C ATOM 976 CG ASP A 63 -10.025 -7.641 11.194 1.00 0.62 C ATOM 977 OD1 ASP A 63 -10.382 -6.543 10.722 1.00 0.75 O ATOM 978 OD2 ASP A 63 -10.821 -8.424 11.754 1.00 0.82 O ATOM 0 H ASP A 63 -6.319 -8.956 10.581 1.00 0.36 H new ATOM 0 HA ASP A 63 -8.932 -9.668 9.742 1.00 0.41 H new ATOM 0 HB2 ASP A 63 -8.301 -8.660 11.948 1.00 0.47 H new ATOM 0 HB3 ASP A 63 -7.943 -7.150 11.134 1.00 0.47 H new ATOM 983 N GLY A 64 -8.048 -6.687 8.626 1.00 0.45 N ATOM 984 CA GLY A 64 -8.248 -5.787 7.504 1.00 0.50 C ATOM 985 C GLY A 64 -7.507 -4.469 7.641 1.00 0.43 C ATOM 986 O GLY A 64 -7.933 -3.460 7.072 1.00 0.64 O ATOM 0 H GLY A 64 -7.535 -6.290 9.413 1.00 0.45 H new ATOM 0 HA2 GLY A 64 -7.924 -6.283 6.589 1.00 0.50 H new ATOM 0 HA3 GLY A 64 -9.314 -5.585 7.397 1.00 0.50 H new ATOM 990 N LEU A 65 -6.385 -4.479 8.360 1.00 0.40 N ATOM 991 CA LEU A 65 -5.595 -3.269 8.575 1.00 0.34 C ATOM 992 C LEU A 65 -4.182 -3.431 8.013 1.00 0.33 C ATOM 993 O LEU A 65 -3.765 -4.540 7.653 1.00 0.60 O ATOM 994 CB LEU A 65 -5.535 -2.955 10.078 1.00 0.37 C ATOM 995 CG LEU A 65 -5.878 -1.513 10.489 1.00 0.71 C ATOM 996 CD1 LEU A 65 -4.676 -0.596 10.317 1.00 1.23 C ATOM 997 CD2 LEU A 65 -7.069 -0.987 9.697 1.00 1.16 C ATOM 0 H LEU A 65 -6.003 -5.314 8.804 1.00 0.40 H new ATOM 0 HA LEU A 65 -6.073 -2.442 8.050 1.00 0.34 H new ATOM 0 HB2 LEU A 65 -6.217 -3.629 10.596 1.00 0.37 H new ATOM 0 HB3 LEU A 65 -4.530 -3.182 10.435 1.00 0.37 H new ATOM 0 HG LEU A 65 -6.149 -1.525 11.545 1.00 0.71 H new ATOM 0 HD11 LEU A 65 -4.946 0.417 10.615 1.00 1.23 H new ATOM 0 HD12 LEU A 65 -3.855 -0.951 10.941 1.00 1.23 H new ATOM 0 HD13 LEU A 65 -4.364 -0.597 9.272 1.00 1.23 H new ATOM 0 HD21 LEU A 65 -7.290 0.034 10.007 1.00 1.16 H new ATOM 0 HD22 LEU A 65 -6.833 -1.000 8.633 1.00 1.16 H new ATOM 0 HD23 LEU A 65 -7.937 -1.619 9.883 1.00 1.16 H new ATOM 1009 N LEU A 66 -3.475 -2.314 7.900 1.00 0.37 N ATOM 1010 CA LEU A 66 -2.102 -2.295 7.409 1.00 0.36 C ATOM 1011 C LEU A 66 -1.235 -1.509 8.387 1.00 0.34 C ATOM 1012 O LEU A 66 -1.686 -0.508 8.949 1.00 0.45 O ATOM 1013 CB LEU A 66 -2.031 -1.664 6.013 1.00 0.41 C ATOM 1014 CG LEU A 66 -2.743 -2.442 4.900 1.00 0.50 C ATOM 1015 CD1 LEU A 66 -4.251 -2.242 4.970 1.00 0.57 C ATOM 1016 CD2 LEU A 66 -2.214 -2.018 3.539 1.00 0.61 C ATOM 0 H LEU A 66 -3.838 -1.393 8.147 1.00 0.37 H new ATOM 0 HA LEU A 66 -1.736 -3.319 7.333 1.00 0.36 H new ATOM 0 HB2 LEU A 66 -2.459 -0.663 6.064 1.00 0.41 H new ATOM 0 HB3 LEU A 66 -0.982 -1.549 5.738 1.00 0.41 H new ATOM 0 HG LEU A 66 -2.537 -3.503 5.042 1.00 0.50 H new ATOM 0 HD11 LEU A 66 -4.730 -2.805 4.169 1.00 0.57 H new ATOM 0 HD12 LEU A 66 -4.620 -2.595 5.933 1.00 0.57 H new ATOM 0 HD13 LEU A 66 -4.483 -1.183 4.858 1.00 0.57 H new ATOM 0 HD21 LEU A 66 -2.728 -2.578 2.758 1.00 0.61 H new ATOM 0 HD22 LEU A 66 -2.390 -0.952 3.396 1.00 0.61 H new ATOM 0 HD23 LEU A 66 -1.144 -2.220 3.486 1.00 0.61 H new ATOM 1028 N TYR A 67 -0.004 -1.957 8.600 1.00 0.28 N ATOM 1029 CA TYR A 67 0.889 -1.283 9.536 1.00 0.33 C ATOM 1030 C TYR A 67 2.340 -1.321 9.063 1.00 0.30 C ATOM 1031 O TYR A 67 2.691 -2.077 8.155 1.00 0.32 O ATOM 1032 CB TYR A 67 0.776 -1.925 10.923 1.00 0.43 C ATOM 1033 CG TYR A 67 0.993 -3.425 10.916 1.00 0.41 C ATOM 1034 CD1 TYR A 67 -0.046 -4.294 10.598 1.00 0.45 C ATOM 1035 CD2 TYR A 67 2.235 -3.972 11.219 1.00 0.55 C ATOM 1036 CE1 TYR A 67 0.147 -5.661 10.584 1.00 0.55 C ATOM 1037 CE2 TYR A 67 2.435 -5.339 11.205 1.00 0.65 C ATOM 1038 CZ TYR A 67 1.389 -6.179 10.888 1.00 0.63 C ATOM 1039 OH TYR A 67 1.589 -7.542 10.877 1.00 0.80 O ATOM 0 H TYR A 67 0.397 -2.776 8.143 1.00 0.28 H new ATOM 0 HA TYR A 67 0.584 -0.238 9.590 1.00 0.33 H new ATOM 0 HB2 TYR A 67 1.506 -1.464 11.588 1.00 0.43 H new ATOM 0 HB3 TYR A 67 -0.210 -1.711 11.334 1.00 0.43 H new ATOM 0 HD1 TYR A 67 -1.020 -3.893 10.358 1.00 0.45 H new ATOM 0 HD2 TYR A 67 3.057 -3.318 11.469 1.00 0.55 H new ATOM 0 HE1 TYR A 67 -0.671 -6.322 10.336 1.00 0.55 H new ATOM 0 HE2 TYR A 67 3.406 -5.748 11.441 1.00 0.65 H new ATOM 0 HH TYR A 67 2.520 -7.738 11.113 1.00 0.80 H new ATOM 1049 N GLY A 68 3.172 -0.491 9.689 1.00 0.34 N ATOM 1050 CA GLY A 68 4.582 -0.434 9.344 1.00 0.38 C ATOM 1051 C GLY A 68 5.488 -0.866 10.490 1.00 0.52 C ATOM 1052 O GLY A 68 6.702 -0.659 10.437 1.00 1.27 O ATOM 0 H GLY A 68 2.891 0.147 10.434 1.00 0.34 H new ATOM 0 HA2 GLY A 68 4.766 -1.073 8.480 1.00 0.38 H new ATOM 0 HA3 GLY A 68 4.838 0.583 9.048 1.00 0.38 H new ATOM 1056 N SER A 69 4.906 -1.476 11.520 1.00 0.36 N ATOM 1057 CA SER A 69 5.669 -1.927 12.676 1.00 0.39 C ATOM 1058 C SER A 69 6.596 -3.084 12.300 1.00 0.32 C ATOM 1059 O SER A 69 6.154 -4.094 11.749 1.00 0.37 O ATOM 1060 CB SER A 69 4.720 -2.347 13.805 1.00 0.51 C ATOM 1061 OG SER A 69 4.845 -1.483 14.928 1.00 1.23 O ATOM 0 H SER A 69 3.906 -1.669 11.575 1.00 0.36 H new ATOM 0 HA SER A 69 6.286 -1.099 13.025 1.00 0.39 H new ATOM 0 HB2 SER A 69 3.692 -2.332 13.444 1.00 0.51 H new ATOM 0 HB3 SER A 69 4.938 -3.372 14.105 1.00 0.51 H new ATOM 0 HG SER A 69 4.279 -0.694 14.798 1.00 1.23 H new ATOM 1067 N GLN A 70 7.882 -2.921 12.603 1.00 0.31 N ATOM 1068 CA GLN A 70 8.896 -3.931 12.304 1.00 0.33 C ATOM 1069 C GLN A 70 8.445 -5.325 12.749 1.00 0.32 C ATOM 1070 O GLN A 70 8.497 -5.655 13.937 1.00 0.45 O ATOM 1071 CB GLN A 70 10.222 -3.559 12.980 1.00 0.43 C ATOM 1072 CG GLN A 70 11.441 -3.799 12.105 1.00 0.61 C ATOM 1073 CD GLN A 70 11.596 -5.248 11.686 1.00 0.93 C ATOM 1074 OE1 GLN A 70 11.170 -6.163 12.392 1.00 1.14 O ATOM 1075 NE2 GLN A 70 12.213 -5.469 10.538 1.00 1.29 N ATOM 0 H GLN A 70 8.250 -2.088 13.061 1.00 0.31 H new ATOM 0 HA GLN A 70 9.039 -3.957 11.224 1.00 0.33 H new ATOM 0 HB2 GLN A 70 10.192 -2.507 13.266 1.00 0.43 H new ATOM 0 HB3 GLN A 70 10.326 -4.136 13.899 1.00 0.43 H new ATOM 0 HG2 GLN A 70 11.370 -3.175 11.214 1.00 0.61 H new ATOM 0 HG3 GLN A 70 12.335 -3.485 12.644 1.00 0.61 H new ATOM 0 HE21 GLN A 70 12.552 -4.684 9.982 1.00 1.29 H new ATOM 0 HE22 GLN A 70 12.350 -6.425 10.209 1.00 1.29 H new ATOM 1084 N THR A 71 7.996 -6.129 11.786 1.00 0.29 N ATOM 1085 CA THR A 71 7.537 -7.488 12.056 1.00 0.33 C ATOM 1086 C THR A 71 7.671 -8.362 10.803 1.00 0.30 C ATOM 1087 O THR A 71 6.734 -8.474 10.012 1.00 0.38 O ATOM 1088 CB THR A 71 6.066 -7.499 12.535 1.00 0.43 C ATOM 1089 OG1 THR A 71 5.766 -6.292 13.256 1.00 0.52 O ATOM 1090 CG2 THR A 71 5.800 -8.705 13.427 1.00 0.58 C ATOM 0 H THR A 71 7.941 -5.858 10.804 1.00 0.29 H new ATOM 0 HA THR A 71 8.166 -7.893 12.849 1.00 0.33 H new ATOM 0 HB THR A 71 5.424 -7.561 11.656 1.00 0.43 H new ATOM 0 HG1 THR A 71 5.702 -5.543 12.627 1.00 0.52 H new ATOM 0 HG21 THR A 71 4.760 -8.694 13.753 1.00 0.58 H new ATOM 0 HG22 THR A 71 5.996 -9.621 12.869 1.00 0.58 H new ATOM 0 HG23 THR A 71 6.454 -8.664 14.298 1.00 0.58 H new ATOM 1098 N PRO A 72 8.851 -8.974 10.596 1.00 0.30 N ATOM 1099 CA PRO A 72 9.110 -9.830 9.432 1.00 0.33 C ATOM 1100 C PRO A 72 8.120 -10.987 9.327 1.00 0.31 C ATOM 1101 O PRO A 72 8.143 -11.912 10.144 1.00 0.44 O ATOM 1102 CB PRO A 72 10.533 -10.355 9.671 1.00 0.44 C ATOM 1103 CG PRO A 72 10.807 -10.113 11.116 1.00 0.50 C ATOM 1104 CD PRO A 72 10.023 -8.889 11.482 1.00 0.41 C ATOM 0 HA PRO A 72 9.002 -9.281 8.497 1.00 0.33 H new ATOM 0 HB2 PRO A 72 10.606 -11.415 9.430 1.00 0.44 H new ATOM 0 HB3 PRO A 72 11.255 -9.834 9.042 1.00 0.44 H new ATOM 0 HG2 PRO A 72 10.502 -10.968 11.720 1.00 0.50 H new ATOM 0 HG3 PRO A 72 11.872 -9.962 11.292 1.00 0.50 H new ATOM 0 HD2 PRO A 72 9.736 -8.892 12.534 1.00 0.41 H new ATOM 0 HD3 PRO A 72 10.594 -7.977 11.310 1.00 0.41 H new ATOM 1112 N ASN A 73 7.258 -10.947 8.314 1.00 0.28 N ATOM 1113 CA ASN A 73 6.267 -12.000 8.127 1.00 0.31 C ATOM 1114 C ASN A 73 5.792 -12.073 6.678 1.00 0.28 C ATOM 1115 O ASN A 73 5.882 -11.098 5.930 1.00 0.31 O ATOM 1116 CB ASN A 73 5.072 -11.783 9.057 1.00 0.38 C ATOM 1117 CG ASN A 73 4.260 -13.050 9.254 1.00 0.72 C ATOM 1118 OD1 ASN A 73 3.397 -13.382 8.442 1.00 1.01 O ATOM 1119 ND2 ASN A 73 4.529 -13.768 10.335 1.00 1.26 N ATOM 0 H ASN A 73 7.226 -10.203 7.616 1.00 0.28 H new ATOM 0 HA ASN A 73 6.746 -12.947 8.374 1.00 0.31 H new ATOM 0 HB2 ASN A 73 5.427 -11.427 10.024 1.00 0.38 H new ATOM 0 HB3 ASN A 73 4.431 -11.003 8.646 1.00 0.38 H new ATOM 0 HD21 ASN A 73 4.013 -14.629 10.517 1.00 1.26 H new ATOM 0 HD22 ASN A 73 5.252 -13.460 10.985 1.00 1.26 H new ATOM 1126 N GLU A 74 5.268 -13.236 6.304 1.00 0.28 N ATOM 1127 CA GLU A 74 4.773 -13.475 4.949 1.00 0.30 C ATOM 1128 C GLU A 74 3.747 -12.421 4.529 1.00 0.28 C ATOM 1129 O GLU A 74 3.593 -12.133 3.340 1.00 0.31 O ATOM 1130 CB GLU A 74 4.137 -14.861 4.862 1.00 0.37 C ATOM 1131 CG GLU A 74 5.044 -15.985 5.341 1.00 0.45 C ATOM 1132 CD GLU A 74 4.265 -17.206 5.782 1.00 0.56 C ATOM 1133 OE1 GLU A 74 3.492 -17.101 6.761 1.00 0.66 O ATOM 1134 OE2 GLU A 74 4.425 -18.275 5.159 1.00 0.79 O ATOM 0 H GLU A 74 5.174 -14.038 6.928 1.00 0.28 H new ATOM 0 HA GLU A 74 5.625 -13.412 4.272 1.00 0.30 H new ATOM 0 HB2 GLU A 74 3.222 -14.868 5.454 1.00 0.37 H new ATOM 0 HB3 GLU A 74 3.850 -15.054 3.828 1.00 0.37 H new ATOM 0 HG2 GLU A 74 5.728 -16.264 4.539 1.00 0.45 H new ATOM 0 HG3 GLU A 74 5.654 -15.627 6.170 1.00 0.45 H new ATOM 1141 N GLU A 75 3.047 -11.851 5.507 1.00 0.28 N ATOM 1142 CA GLU A 75 2.038 -10.824 5.241 1.00 0.30 C ATOM 1143 C GLU A 75 2.609 -9.668 4.409 1.00 0.34 C ATOM 1144 O GLU A 75 1.853 -8.900 3.815 1.00 0.60 O ATOM 1145 CB GLU A 75 1.458 -10.276 6.553 1.00 0.37 C ATOM 1146 CG GLU A 75 0.985 -11.350 7.524 1.00 0.49 C ATOM 1147 CD GLU A 75 0.220 -12.478 6.851 1.00 0.53 C ATOM 1148 OE1 GLU A 75 -0.729 -12.194 6.091 1.00 1.26 O ATOM 1149 OE2 GLU A 75 0.562 -13.656 7.092 1.00 1.21 O ATOM 0 H GLU A 75 3.159 -12.083 6.494 1.00 0.28 H new ATOM 0 HA GLU A 75 1.243 -11.299 4.667 1.00 0.30 H new ATOM 0 HB2 GLU A 75 2.215 -9.666 7.045 1.00 0.37 H new ATOM 0 HB3 GLU A 75 0.620 -9.618 6.320 1.00 0.37 H new ATOM 0 HG2 GLU A 75 1.849 -11.766 8.043 1.00 0.49 H new ATOM 0 HG3 GLU A 75 0.349 -10.891 8.281 1.00 0.49 H new ATOM 1156 N CYS A 76 3.937 -9.541 4.376 1.00 0.25 N ATOM 1157 CA CYS A 76 4.595 -8.481 3.616 1.00 0.28 C ATOM 1158 C CYS A 76 4.609 -8.783 2.105 1.00 0.28 C ATOM 1159 O CYS A 76 5.025 -7.940 1.307 1.00 0.36 O ATOM 1160 CB CYS A 76 6.026 -8.297 4.127 1.00 0.31 C ATOM 1161 SG CYS A 76 6.713 -6.648 3.852 1.00 0.49 S ATOM 0 H CYS A 76 4.578 -10.162 4.869 1.00 0.25 H new ATOM 0 HA CYS A 76 4.028 -7.561 3.761 1.00 0.28 H new ATOM 0 HB2 CYS A 76 6.047 -8.512 5.195 1.00 0.31 H new ATOM 0 HB3 CYS A 76 6.669 -9.031 3.641 1.00 0.31 H new ATOM 0 HG CYS A 76 5.997 -5.768 4.487 1.00 0.49 H new ATOM 1167 N LEU A 77 4.169 -9.981 1.713 1.00 0.27 N ATOM 1168 CA LEU A 77 4.137 -10.357 0.302 1.00 0.31 C ATOM 1169 C LEU A 77 2.854 -9.854 -0.357 1.00 0.25 C ATOM 1170 O LEU A 77 1.765 -10.397 -0.128 1.00 0.31 O ATOM 1171 CB LEU A 77 4.253 -11.880 0.147 1.00 0.41 C ATOM 1172 CG LEU A 77 5.672 -12.449 0.263 1.00 0.54 C ATOM 1173 CD1 LEU A 77 6.555 -11.912 -0.853 1.00 0.76 C ATOM 1174 CD2 LEU A 77 6.273 -12.130 1.626 1.00 0.58 C ATOM 0 H LEU A 77 3.832 -10.702 2.351 1.00 0.27 H new ATOM 0 HA LEU A 77 4.988 -9.892 -0.195 1.00 0.31 H new ATOM 0 HB2 LEU A 77 3.627 -12.353 0.904 1.00 0.41 H new ATOM 0 HB3 LEU A 77 3.846 -12.161 -0.824 1.00 0.41 H new ATOM 0 HG LEU A 77 5.614 -13.533 0.164 1.00 0.54 H new ATOM 0 HD11 LEU A 77 7.558 -12.327 -0.755 1.00 0.76 H new ATOM 0 HD12 LEU A 77 6.137 -12.199 -1.818 1.00 0.76 H new ATOM 0 HD13 LEU A 77 6.604 -10.825 -0.787 1.00 0.76 H new ATOM 0 HD21 LEU A 77 7.280 -12.543 1.685 1.00 0.58 H new ATOM 0 HD22 LEU A 77 6.316 -11.049 1.761 1.00 0.58 H new ATOM 0 HD23 LEU A 77 5.654 -12.569 2.408 1.00 0.58 H new ATOM 1186 N PHE A 78 2.981 -8.818 -1.181 1.00 0.21 N ATOM 1187 CA PHE A 78 1.831 -8.235 -1.859 1.00 0.21 C ATOM 1188 C PHE A 78 1.956 -8.351 -3.379 1.00 0.19 C ATOM 1189 O PHE A 78 3.047 -8.559 -3.919 1.00 0.23 O ATOM 1190 CB PHE A 78 1.684 -6.758 -1.473 1.00 0.26 C ATOM 1191 CG PHE A 78 1.514 -6.522 0.002 1.00 0.29 C ATOM 1192 CD1 PHE A 78 0.259 -6.577 0.587 1.00 0.46 C ATOM 1193 CD2 PHE A 78 2.608 -6.239 0.803 1.00 0.32 C ATOM 1194 CE1 PHE A 78 0.098 -6.353 1.941 1.00 0.53 C ATOM 1195 CE2 PHE A 78 2.455 -6.015 2.159 1.00 0.38 C ATOM 1196 CZ PHE A 78 1.198 -6.073 2.728 1.00 0.45 C ATOM 0 H PHE A 78 3.870 -8.366 -1.394 1.00 0.21 H new ATOM 0 HA PHE A 78 0.947 -8.790 -1.544 1.00 0.21 H new ATOM 0 HB2 PHE A 78 2.564 -6.214 -1.818 1.00 0.26 H new ATOM 0 HB3 PHE A 78 0.825 -6.340 -1.998 1.00 0.26 H new ATOM 0 HD1 PHE A 78 -0.604 -6.798 -0.023 1.00 0.46 H new ATOM 0 HD2 PHE A 78 3.593 -6.193 0.363 1.00 0.32 H new ATOM 0 HE1 PHE A 78 -0.886 -6.397 2.383 1.00 0.53 H new ATOM 0 HE2 PHE A 78 3.317 -5.795 2.772 1.00 0.38 H new ATOM 0 HZ PHE A 78 1.075 -5.900 3.787 1.00 0.45 H new ATOM 1206 N LEU A 79 0.821 -8.229 -4.053 1.00 0.21 N ATOM 1207 CA LEU A 79 0.760 -8.283 -5.508 1.00 0.21 C ATOM 1208 C LEU A 79 0.413 -6.895 -6.038 1.00 0.20 C ATOM 1209 O LEU A 79 -0.667 -6.372 -5.741 1.00 0.21 O ATOM 1210 CB LEU A 79 -0.306 -9.297 -5.944 1.00 0.24 C ATOM 1211 CG LEU A 79 -0.194 -9.828 -7.379 1.00 0.30 C ATOM 1212 CD1 LEU A 79 -0.183 -8.686 -8.387 1.00 0.34 C ATOM 1213 CD2 LEU A 79 1.043 -10.699 -7.530 1.00 0.35 C ATOM 0 H LEU A 79 -0.085 -8.090 -3.606 1.00 0.21 H new ATOM 0 HA LEU A 79 1.724 -8.596 -5.910 1.00 0.21 H new ATOM 0 HB2 LEU A 79 -0.270 -10.146 -5.261 1.00 0.24 H new ATOM 0 HB3 LEU A 79 -1.286 -8.835 -5.826 1.00 0.24 H new ATOM 0 HG LEU A 79 -1.071 -10.442 -7.583 1.00 0.30 H new ATOM 0 HD11 LEU A 79 -0.103 -9.092 -9.396 1.00 0.34 H new ATOM 0 HD12 LEU A 79 -1.106 -8.114 -8.298 1.00 0.34 H new ATOM 0 HD13 LEU A 79 0.668 -8.034 -8.189 1.00 0.34 H new ATOM 0 HD21 LEU A 79 1.106 -11.067 -8.554 1.00 0.35 H new ATOM 0 HD22 LEU A 79 1.932 -10.112 -7.300 1.00 0.35 H new ATOM 0 HD23 LEU A 79 0.979 -11.544 -6.844 1.00 0.35 H new ATOM 1225 N GLU A 80 1.330 -6.293 -6.791 1.00 0.21 N ATOM 1226 CA GLU A 80 1.115 -4.962 -7.352 1.00 0.22 C ATOM 1227 C GLU A 80 0.640 -5.072 -8.799 1.00 0.22 C ATOM 1228 O GLU A 80 1.439 -5.278 -9.714 1.00 0.35 O ATOM 1229 CB GLU A 80 2.402 -4.125 -7.277 1.00 0.28 C ATOM 1230 CG GLU A 80 2.235 -2.701 -7.791 1.00 0.33 C ATOM 1231 CD GLU A 80 3.517 -1.889 -7.728 1.00 0.36 C ATOM 1232 OE1 GLU A 80 4.356 -2.021 -8.637 1.00 0.57 O ATOM 1233 OE2 GLU A 80 3.690 -1.096 -6.771 1.00 0.45 O ATOM 0 H GLU A 80 2.232 -6.707 -7.027 1.00 0.21 H new ATOM 0 HA GLU A 80 0.346 -4.461 -6.764 1.00 0.22 H new ATOM 0 HB2 GLU A 80 2.743 -4.091 -6.242 1.00 0.28 H new ATOM 0 HB3 GLU A 80 3.182 -4.621 -7.854 1.00 0.28 H new ATOM 0 HG2 GLU A 80 1.883 -2.733 -8.822 1.00 0.33 H new ATOM 0 HG3 GLU A 80 1.465 -2.198 -7.206 1.00 0.33 H new ATOM 1240 N ARG A 81 -0.664 -4.946 -9.003 1.00 0.20 N ATOM 1241 CA ARG A 81 -1.229 -5.036 -10.338 1.00 0.23 C ATOM 1242 C ARG A 81 -1.393 -3.644 -10.935 1.00 0.20 C ATOM 1243 O ARG A 81 -2.377 -2.947 -10.669 1.00 0.24 O ATOM 1244 CB ARG A 81 -2.568 -5.772 -10.308 1.00 0.29 C ATOM 1245 CG ARG A 81 -3.002 -6.284 -11.670 1.00 0.39 C ATOM 1246 CD ARG A 81 -4.244 -7.152 -11.578 1.00 0.50 C ATOM 1247 NE ARG A 81 -4.552 -7.800 -12.856 1.00 0.69 N ATOM 1248 CZ ARG A 81 -5.759 -8.255 -13.204 1.00 0.81 C ATOM 1249 NH1 ARG A 81 -6.782 -8.164 -12.356 1.00 1.12 N ATOM 1250 NH2 ARG A 81 -5.940 -8.817 -14.398 1.00 1.02 N ATOM 0 H ARG A 81 -1.346 -4.782 -8.263 1.00 0.20 H new ATOM 0 HA ARG A 81 -0.544 -5.605 -10.967 1.00 0.23 H new ATOM 0 HB2 ARG A 81 -2.498 -6.612 -9.617 1.00 0.29 H new ATOM 0 HB3 ARG A 81 -3.334 -5.102 -9.918 1.00 0.29 H new ATOM 0 HG2 ARG A 81 -3.198 -5.439 -12.330 1.00 0.39 H new ATOM 0 HG3 ARG A 81 -2.190 -6.857 -12.118 1.00 0.39 H new ATOM 0 HD2 ARG A 81 -4.100 -7.912 -10.811 1.00 0.50 H new ATOM 0 HD3 ARG A 81 -5.092 -6.542 -11.267 1.00 0.50 H new ATOM 0 HE ARG A 81 -3.792 -7.911 -13.527 1.00 0.69 H new ATOM 0 HH11 ARG A 81 -6.646 -7.745 -11.436 1.00 1.12 H new ATOM 0 HH12 ARG A 81 -7.701 -8.513 -12.627 1.00 1.12 H new ATOM 0 HH21 ARG A 81 -5.157 -8.900 -15.047 1.00 1.02 H new ATOM 0 HH22 ARG A 81 -6.861 -9.164 -14.664 1.00 1.02 H new ATOM 1264 N LEU A 82 -0.403 -3.236 -11.719 1.00 0.22 N ATOM 1265 CA LEU A 82 -0.413 -1.931 -12.364 1.00 0.24 C ATOM 1266 C LEU A 82 -1.036 -2.027 -13.755 1.00 0.27 C ATOM 1267 O LEU A 82 -0.608 -2.836 -14.577 1.00 0.40 O ATOM 1268 CB LEU A 82 1.017 -1.383 -12.459 1.00 0.32 C ATOM 1269 CG LEU A 82 1.150 0.002 -13.098 1.00 0.36 C ATOM 1270 CD1 LEU A 82 0.325 1.032 -12.338 1.00 0.43 C ATOM 1271 CD2 LEU A 82 2.611 0.426 -13.151 1.00 0.54 C ATOM 0 H LEU A 82 0.424 -3.797 -11.924 1.00 0.22 H new ATOM 0 HA LEU A 82 -1.015 -1.249 -11.764 1.00 0.24 H new ATOM 0 HB2 LEU A 82 1.440 -1.343 -11.455 1.00 0.32 H new ATOM 0 HB3 LEU A 82 1.620 -2.088 -13.031 1.00 0.32 H new ATOM 0 HG LEU A 82 0.767 -0.056 -14.117 1.00 0.36 H new ATOM 0 HD11 LEU A 82 0.436 2.008 -12.811 1.00 0.43 H new ATOM 0 HD12 LEU A 82 -0.725 0.739 -12.352 1.00 0.43 H new ATOM 0 HD13 LEU A 82 0.673 1.087 -11.306 1.00 0.43 H new ATOM 0 HD21 LEU A 82 2.687 1.413 -13.608 1.00 0.54 H new ATOM 0 HD22 LEU A 82 3.016 0.462 -12.140 1.00 0.54 H new ATOM 0 HD23 LEU A 82 3.177 -0.293 -13.743 1.00 0.54 H new ATOM 1283 N GLU A 83 -2.047 -1.204 -14.011 1.00 0.28 N ATOM 1284 CA GLU A 83 -2.726 -1.206 -15.303 1.00 0.36 C ATOM 1285 C GLU A 83 -2.218 -0.079 -16.211 1.00 0.44 C ATOM 1286 O GLU A 83 -2.657 0.045 -17.357 1.00 1.00 O ATOM 1287 CB GLU A 83 -4.238 -1.073 -15.098 1.00 0.42 C ATOM 1288 CG GLU A 83 -5.053 -1.433 -16.329 1.00 0.67 C ATOM 1289 CD GLU A 83 -6.484 -1.805 -15.996 1.00 0.91 C ATOM 1290 OE1 GLU A 83 -6.686 -2.731 -15.187 1.00 1.19 O ATOM 1291 OE2 GLU A 83 -7.414 -1.185 -16.557 1.00 1.24 O ATOM 0 H GLU A 83 -2.415 -0.527 -13.342 1.00 0.28 H new ATOM 0 HA GLU A 83 -2.506 -2.154 -15.795 1.00 0.36 H new ATOM 0 HB2 GLU A 83 -4.542 -1.715 -14.271 1.00 0.42 H new ATOM 0 HB3 GLU A 83 -4.468 -0.048 -14.807 1.00 0.42 H new ATOM 0 HG2 GLU A 83 -5.053 -0.589 -17.019 1.00 0.67 H new ATOM 0 HG3 GLU A 83 -4.576 -2.267 -16.844 1.00 0.67 H new ATOM 1298 N GLU A 84 -1.317 0.759 -15.686 1.00 0.37 N ATOM 1299 CA GLU A 84 -0.745 1.882 -16.442 1.00 0.38 C ATOM 1300 C GLU A 84 -1.701 3.080 -16.474 1.00 0.31 C ATOM 1301 O GLU A 84 -1.252 4.228 -16.490 1.00 0.32 O ATOM 1302 CB GLU A 84 -0.379 1.464 -17.874 1.00 0.50 C ATOM 1303 CG GLU A 84 0.408 2.516 -18.645 1.00 0.90 C ATOM 1304 CD GLU A 84 0.660 2.123 -20.088 1.00 0.94 C ATOM 1305 OE1 GLU A 84 -0.316 1.817 -20.806 1.00 1.14 O ATOM 1306 OE2 GLU A 84 1.833 2.131 -20.518 1.00 1.23 O ATOM 0 H GLU A 84 -0.965 0.680 -14.732 1.00 0.37 H new ATOM 0 HA GLU A 84 0.167 2.182 -15.925 1.00 0.38 H new ATOM 0 HB2 GLU A 84 0.205 0.545 -17.835 1.00 0.50 H new ATOM 0 HB3 GLU A 84 -1.294 1.237 -18.420 1.00 0.50 H new ATOM 0 HG2 GLU A 84 -0.136 3.460 -18.620 1.00 0.90 H new ATOM 0 HG3 GLU A 84 1.363 2.685 -18.148 1.00 0.90 H new ATOM 1313 N ASN A 85 -3.010 2.814 -16.483 1.00 0.34 N ATOM 1314 CA ASN A 85 -4.018 3.877 -16.513 1.00 0.37 C ATOM 1315 C ASN A 85 -4.001 4.705 -15.221 1.00 0.29 C ATOM 1316 O ASN A 85 -4.970 4.717 -14.462 1.00 0.33 O ATOM 1317 CB ASN A 85 -5.416 3.281 -16.745 1.00 0.49 C ATOM 1318 CG ASN A 85 -6.507 4.341 -16.797 1.00 0.58 C ATOM 1319 OD1 ASN A 85 -6.265 5.481 -17.195 1.00 0.64 O ATOM 1320 ND2 ASN A 85 -7.717 3.974 -16.394 1.00 0.79 N ATOM 0 H ASN A 85 -3.397 1.870 -16.470 1.00 0.34 H new ATOM 0 HA ASN A 85 -3.774 4.544 -17.340 1.00 0.37 H new ATOM 0 HB2 ASN A 85 -5.416 2.720 -17.679 1.00 0.49 H new ATOM 0 HB3 ASN A 85 -5.641 2.573 -15.947 1.00 0.49 H new ATOM 0 HD21 ASN A 85 -8.485 4.646 -16.408 1.00 0.79 H new ATOM 0 HD22 ASN A 85 -7.879 3.020 -16.071 1.00 0.79 H new ATOM 1327 N HIS A 86 -2.882 5.384 -14.981 1.00 0.28 N ATOM 1328 CA HIS A 86 -2.698 6.237 -13.803 1.00 0.33 C ATOM 1329 C HIS A 86 -3.230 5.595 -12.518 1.00 0.30 C ATOM 1330 O HIS A 86 -3.774 6.289 -11.656 1.00 0.38 O ATOM 1331 CB HIS A 86 -3.362 7.605 -14.025 1.00 0.45 C ATOM 1332 CG HIS A 86 -4.860 7.553 -14.143 1.00 0.50 C ATOM 1333 ND1 HIS A 86 -5.524 7.540 -15.354 1.00 0.69 N ATOM 1334 CD2 HIS A 86 -5.825 7.512 -13.192 1.00 0.58 C ATOM 1335 CE1 HIS A 86 -6.826 7.493 -15.140 1.00 0.78 C ATOM 1336 NE2 HIS A 86 -7.036 7.475 -13.839 1.00 0.71 N ATOM 0 H HIS A 86 -2.071 5.360 -15.600 1.00 0.28 H new ATOM 0 HA HIS A 86 -1.624 6.369 -13.673 1.00 0.33 H new ATOM 0 HB2 HIS A 86 -3.097 8.263 -13.198 1.00 0.45 H new ATOM 0 HB3 HIS A 86 -2.953 8.052 -14.931 1.00 0.45 H new ATOM 0 HD2 HIS A 86 -5.670 7.509 -12.123 1.00 0.58 H new ATOM 0 HE1 HIS A 86 -7.590 7.473 -15.903 1.00 0.78 H new ATOM 0 HE2 HIS A 86 -7.949 7.439 -13.386 1.00 0.71 H new ATOM 1345 N TYR A 87 -3.073 4.278 -12.380 1.00 0.26 N ATOM 1346 CA TYR A 87 -3.536 3.586 -11.179 1.00 0.34 C ATOM 1347 C TYR A 87 -3.165 2.101 -11.209 1.00 0.24 C ATOM 1348 O TYR A 87 -2.886 1.536 -12.274 1.00 0.23 O ATOM 1349 CB TYR A 87 -5.054 3.770 -11.000 1.00 0.53 C ATOM 1350 CG TYR A 87 -5.898 2.577 -11.405 1.00 0.48 C ATOM 1351 CD1 TYR A 87 -6.352 2.428 -12.709 1.00 0.83 C ATOM 1352 CD2 TYR A 87 -6.253 1.609 -10.474 1.00 0.51 C ATOM 1353 CE1 TYR A 87 -7.135 1.348 -13.074 1.00 1.03 C ATOM 1354 CE2 TYR A 87 -7.030 0.527 -10.830 1.00 0.75 C ATOM 1355 CZ TYR A 87 -7.472 0.401 -12.130 1.00 0.95 C ATOM 1356 OH TYR A 87 -8.257 -0.677 -12.487 1.00 1.27 O ATOM 0 H TYR A 87 -2.634 3.676 -13.076 1.00 0.26 H new ATOM 0 HA TYR A 87 -3.031 4.032 -10.322 1.00 0.34 H new ATOM 0 HB2 TYR A 87 -5.256 4.000 -9.954 1.00 0.53 H new ATOM 0 HB3 TYR A 87 -5.371 4.635 -11.583 1.00 0.53 H new ATOM 0 HD1 TYR A 87 -6.089 3.168 -13.450 1.00 0.83 H new ATOM 0 HD2 TYR A 87 -5.914 1.706 -9.453 1.00 0.51 H new ATOM 0 HE1 TYR A 87 -7.480 1.247 -14.092 1.00 1.03 H new ATOM 0 HE2 TYR A 87 -7.291 -0.219 -10.094 1.00 0.75 H new ATOM 0 HH TYR A 87 -8.401 -1.250 -11.705 1.00 1.27 H new ATOM 1366 N ASN A 88 -3.158 1.484 -10.031 1.00 0.24 N ATOM 1367 CA ASN A 88 -2.826 0.068 -9.888 1.00 0.20 C ATOM 1368 C ASN A 88 -3.681 -0.564 -8.791 1.00 0.20 C ATOM 1369 O ASN A 88 -4.382 0.145 -8.065 1.00 0.24 O ATOM 1370 CB ASN A 88 -1.339 -0.089 -9.546 1.00 0.21 C ATOM 1371 CG ASN A 88 -1.067 -0.047 -8.053 1.00 0.20 C ATOM 1372 OD1 ASN A 88 -1.089 1.147 -7.478 1.00 0.24 O flip ATOM 1373 ND2 ASN A 88 -0.871 -1.079 -7.418 1.00 0.24 N flip ATOM 0 H ASN A 88 -3.381 1.949 -9.151 1.00 0.24 H new ATOM 0 HA ASN A 88 -3.030 -0.439 -10.831 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -0.977 -1.035 -9.949 1.00 0.21 H new ATOM 0 HB3 ASN A 88 -0.773 0.704 -10.035 1.00 0.21 H new ATOM 0 HD21 ASN A 88 -0.862 -1.979 -7.898 1.00 0.24 H new ATOM 0 HD22 ASN A 88 -0.717 -1.037 -6.411 1.00 0.24 H new ATOM 1380 N THR A 89 -3.617 -1.885 -8.672 1.00 0.23 N ATOM 1381 CA THR A 89 -4.373 -2.605 -7.656 1.00 0.26 C ATOM 1382 C THR A 89 -3.452 -3.515 -6.844 1.00 0.21 C ATOM 1383 O THR A 89 -2.622 -4.232 -7.407 1.00 0.25 O ATOM 1384 CB THR A 89 -5.523 -3.434 -8.278 1.00 0.34 C ATOM 1385 OG1 THR A 89 -5.184 -3.867 -9.609 1.00 0.57 O ATOM 1386 CG2 THR A 89 -6.814 -2.623 -8.317 1.00 0.72 C ATOM 0 H THR A 89 -3.046 -2.481 -9.271 1.00 0.23 H new ATOM 0 HA THR A 89 -4.815 -1.862 -6.993 1.00 0.26 H new ATOM 0 HB THR A 89 -5.674 -4.312 -7.650 1.00 0.34 H new ATOM 0 HG1 THR A 89 -5.924 -4.390 -9.981 1.00 0.57 H new ATOM 0 HG21 THR A 89 -7.609 -3.225 -8.758 1.00 0.72 H new ATOM 0 HG22 THR A 89 -7.095 -2.337 -7.303 1.00 0.72 H new ATOM 0 HG23 THR A 89 -6.662 -1.726 -8.918 1.00 0.72 H new ATOM 1394 N TYR A 90 -3.599 -3.475 -5.521 1.00 0.21 N ATOM 1395 CA TYR A 90 -2.778 -4.285 -4.627 1.00 0.21 C ATOM 1396 C TYR A 90 -3.597 -5.398 -3.976 1.00 0.23 C ATOM 1397 O TYR A 90 -4.712 -5.159 -3.508 1.00 0.28 O ATOM 1398 CB TYR A 90 -2.166 -3.416 -3.522 1.00 0.27 C ATOM 1399 CG TYR A 90 -1.049 -2.507 -3.978 1.00 0.25 C ATOM 1400 CD1 TYR A 90 0.222 -3.006 -4.249 1.00 0.26 C ATOM 1401 CD2 TYR A 90 -1.257 -1.140 -4.119 1.00 0.29 C ATOM 1402 CE1 TYR A 90 1.250 -2.169 -4.644 1.00 0.29 C ATOM 1403 CE2 TYR A 90 -0.236 -0.298 -4.518 1.00 0.31 C ATOM 1404 CZ TYR A 90 1.015 -0.815 -4.779 1.00 0.31 C ATOM 1405 OH TYR A 90 2.035 0.026 -5.169 1.00 0.36 O ATOM 0 H TYR A 90 -4.283 -2.887 -5.044 1.00 0.21 H new ATOM 0 HA TYR A 90 -1.987 -4.730 -5.231 1.00 0.21 H new ATOM 0 HB2 TYR A 90 -2.954 -2.807 -3.080 1.00 0.27 H new ATOM 0 HB3 TYR A 90 -1.787 -4.067 -2.735 1.00 0.27 H new ATOM 0 HD1 TYR A 90 0.409 -4.065 -4.149 1.00 0.26 H new ATOM 0 HD2 TYR A 90 -2.234 -0.728 -3.913 1.00 0.29 H new ATOM 0 HE1 TYR A 90 2.231 -2.572 -4.846 1.00 0.29 H new ATOM 0 HE2 TYR A 90 -0.418 0.761 -4.625 1.00 0.31 H new ATOM 0 HH TYR A 90 2.849 -0.497 -5.323 1.00 0.36 H new ATOM 1415 N ILE A 91 -3.040 -6.606 -3.951 1.00 0.22 N ATOM 1416 CA ILE A 91 -3.705 -7.750 -3.327 1.00 0.26 C ATOM 1417 C ILE A 91 -2.700 -8.566 -2.513 1.00 0.27 C ATOM 1418 O ILE A 91 -1.501 -8.562 -2.810 1.00 0.27 O ATOM 1419 CB ILE A 91 -4.411 -8.664 -4.356 1.00 0.28 C ATOM 1420 CG1 ILE A 91 -3.418 -9.198 -5.392 1.00 0.26 C ATOM 1421 CG2 ILE A 91 -5.547 -7.913 -5.040 1.00 0.33 C ATOM 1422 CD1 ILE A 91 -4.004 -10.243 -6.317 1.00 0.31 C ATOM 0 H ILE A 91 -2.128 -6.820 -4.356 1.00 0.22 H new ATOM 0 HA ILE A 91 -4.475 -7.347 -2.669 1.00 0.26 H new ATOM 0 HB ILE A 91 -4.828 -9.517 -3.822 1.00 0.28 H new ATOM 0 HG12 ILE A 91 -3.047 -8.365 -5.989 1.00 0.26 H new ATOM 0 HG13 ILE A 91 -2.560 -9.626 -4.873 1.00 0.26 H new ATOM 0 HG21 ILE A 91 -6.034 -8.569 -5.761 1.00 0.33 H new ATOM 0 HG22 ILE A 91 -6.273 -7.592 -4.293 1.00 0.33 H new ATOM 0 HG23 ILE A 91 -5.147 -7.040 -5.556 1.00 0.33 H new ATOM 0 HD11 ILE A 91 -3.241 -10.573 -7.022 1.00 0.31 H new ATOM 0 HD12 ILE A 91 -4.350 -11.095 -5.731 1.00 0.31 H new ATOM 0 HD13 ILE A 91 -4.844 -9.815 -6.864 1.00 0.31 H new ATOM 1434 N SER A 92 -3.189 -9.250 -1.485 1.00 0.33 N ATOM 1435 CA SER A 92 -2.341 -10.053 -0.610 1.00 0.37 C ATOM 1436 C SER A 92 -1.929 -11.365 -1.275 1.00 0.31 C ATOM 1437 O SER A 92 -2.778 -12.188 -1.625 1.00 0.44 O ATOM 1438 CB SER A 92 -3.083 -10.337 0.694 1.00 0.50 C ATOM 1439 OG SER A 92 -3.956 -9.267 1.014 1.00 0.82 O ATOM 0 H SER A 92 -4.178 -9.264 -1.235 1.00 0.33 H new ATOM 0 HA SER A 92 -1.432 -9.489 -0.404 1.00 0.37 H new ATOM 0 HB2 SER A 92 -3.652 -11.262 0.601 1.00 0.50 H new ATOM 0 HB3 SER A 92 -2.366 -10.483 1.502 1.00 0.50 H new ATOM 0 HG SER A 92 -4.797 -9.625 1.367 1.00 0.82 H new ATOM 1445 N LYS A 93 -0.623 -11.563 -1.424 1.00 0.31 N ATOM 1446 CA LYS A 93 -0.092 -12.777 -2.040 1.00 0.31 C ATOM 1447 C LYS A 93 -0.426 -14.001 -1.187 1.00 0.29 C ATOM 1448 O LYS A 93 -0.901 -15.015 -1.699 1.00 0.35 O ATOM 1449 CB LYS A 93 1.430 -12.655 -2.225 1.00 0.42 C ATOM 1450 CG LYS A 93 2.073 -13.804 -2.995 1.00 0.55 C ATOM 1451 CD LYS A 93 2.099 -15.096 -2.185 1.00 0.74 C ATOM 1452 CE LYS A 93 3.192 -16.043 -2.659 1.00 0.80 C ATOM 1453 NZ LYS A 93 3.044 -16.401 -4.093 1.00 0.80 N ATOM 0 H LYS A 93 0.090 -10.897 -1.126 1.00 0.31 H new ATOM 0 HA LYS A 93 -0.556 -12.902 -3.018 1.00 0.31 H new ATOM 0 HB2 LYS A 93 1.645 -11.722 -2.745 1.00 0.42 H new ATOM 0 HB3 LYS A 93 1.897 -12.588 -1.243 1.00 0.42 H new ATOM 0 HG2 LYS A 93 1.525 -13.969 -3.922 1.00 0.55 H new ATOM 0 HG3 LYS A 93 3.091 -13.530 -3.271 1.00 0.55 H new ATOM 0 HD2 LYS A 93 2.254 -14.861 -1.132 1.00 0.74 H new ATOM 0 HD3 LYS A 93 1.131 -15.592 -2.262 1.00 0.74 H new ATOM 0 HE2 LYS A 93 4.166 -15.579 -2.501 1.00 0.80 H new ATOM 0 HE3 LYS A 93 3.170 -16.951 -2.056 1.00 0.80 H new ATOM 0 HZ1 LYS A 93 3.424 -17.355 -4.254 1.00 0.80 H new ATOM 0 HZ2 LYS A 93 2.037 -16.381 -4.354 1.00 0.80 H new ATOM 0 HZ3 LYS A 93 3.566 -15.717 -4.677 1.00 0.80 H new ATOM 1467 N LYS A 94 -0.203 -13.887 0.119 1.00 0.28 N ATOM 1468 CA LYS A 94 -0.463 -14.988 1.048 1.00 0.31 C ATOM 1469 C LYS A 94 -1.960 -15.154 1.353 1.00 0.31 C ATOM 1470 O LYS A 94 -2.331 -15.919 2.243 1.00 0.56 O ATOM 1471 CB LYS A 94 0.311 -14.761 2.351 1.00 0.36 C ATOM 1472 CG LYS A 94 0.270 -15.944 3.311 1.00 0.55 C ATOM 1473 CD LYS A 94 0.932 -15.601 4.631 1.00 0.55 C ATOM 1474 CE LYS A 94 0.499 -16.550 5.737 1.00 0.63 C ATOM 1475 NZ LYS A 94 1.075 -16.163 7.050 1.00 0.69 N ATOM 0 H LYS A 94 0.158 -13.042 0.561 1.00 0.28 H new ATOM 0 HA LYS A 94 -0.125 -15.906 0.568 1.00 0.31 H new ATOM 0 HB2 LYS A 94 1.350 -14.538 2.110 1.00 0.36 H new ATOM 0 HB3 LYS A 94 -0.095 -13.884 2.854 1.00 0.36 H new ATOM 0 HG2 LYS A 94 -0.765 -16.238 3.486 1.00 0.55 H new ATOM 0 HG3 LYS A 94 0.773 -16.799 2.860 1.00 0.55 H new ATOM 0 HD2 LYS A 94 2.015 -15.644 4.517 1.00 0.55 H new ATOM 0 HD3 LYS A 94 0.681 -14.578 4.910 1.00 0.55 H new ATOM 0 HE2 LYS A 94 -0.589 -16.557 5.805 1.00 0.63 H new ATOM 0 HE3 LYS A 94 0.810 -17.565 5.488 1.00 0.63 H new ATOM 0 HZ1 LYS A 94 0.452 -16.494 7.814 1.00 0.69 H new ATOM 0 HZ2 LYS A 94 2.015 -16.595 7.158 1.00 0.69 H new ATOM 0 HZ3 LYS A 94 1.163 -15.128 7.099 1.00 0.69 H new ATOM 1489 N HIS A 95 -2.827 -14.441 0.638 1.00 0.27 N ATOM 1490 CA HIS A 95 -4.260 -14.554 0.878 1.00 0.28 C ATOM 1491 C HIS A 95 -5.035 -14.514 -0.433 1.00 0.27 C ATOM 1492 O HIS A 95 -6.029 -13.796 -0.563 1.00 0.33 O ATOM 1493 CB HIS A 95 -4.742 -13.444 1.819 1.00 0.36 C ATOM 1494 CG HIS A 95 -4.025 -13.415 3.136 1.00 0.41 C ATOM 1495 ND1 HIS A 95 -4.234 -14.345 4.130 1.00 0.64 N ATOM 1496 CD2 HIS A 95 -3.081 -12.569 3.611 1.00 0.46 C ATOM 1497 CE1 HIS A 95 -3.453 -14.070 5.160 1.00 0.65 C ATOM 1498 NE2 HIS A 95 -2.743 -12.998 4.868 1.00 0.50 N ATOM 0 H HIS A 95 -2.566 -13.789 -0.101 1.00 0.27 H new ATOM 0 HA HIS A 95 -4.446 -15.516 1.356 1.00 0.28 H new ATOM 0 HB2 HIS A 95 -4.615 -12.481 1.325 1.00 0.36 H new ATOM 0 HB3 HIS A 95 -5.809 -13.571 1.999 1.00 0.36 H new ATOM 0 HD2 HIS A 95 -2.670 -11.714 3.095 1.00 0.46 H new ATOM 0 HE1 HIS A 95 -3.405 -14.628 6.083 1.00 0.65 H new ATOM 0 HE2 HIS A 95 -2.054 -12.559 5.479 1.00 0.50 H new ATOM 1507 N ALA A 96 -4.580 -15.299 -1.400 1.00 0.31 N ATOM 1508 CA ALA A 96 -5.230 -15.361 -2.702 1.00 0.35 C ATOM 1509 C ALA A 96 -6.708 -15.728 -2.559 1.00 0.34 C ATOM 1510 O ALA A 96 -7.544 -15.298 -3.354 1.00 0.41 O ATOM 1511 CB ALA A 96 -4.520 -16.361 -3.599 1.00 0.44 C ATOM 0 H ALA A 96 -3.763 -15.902 -1.307 1.00 0.31 H new ATOM 0 HA ALA A 96 -5.169 -14.374 -3.160 1.00 0.35 H new ATOM 0 HB1 ALA A 96 -5.017 -16.397 -4.569 1.00 0.44 H new ATOM 0 HB2 ALA A 96 -3.482 -16.056 -3.734 1.00 0.44 H new ATOM 0 HB3 ALA A 96 -4.551 -17.349 -3.139 1.00 0.44 H new ATOM 1517 N GLU A 97 -7.024 -16.517 -1.531 1.00 0.34 N ATOM 1518 CA GLU A 97 -8.398 -16.945 -1.281 1.00 0.38 C ATOM 1519 C GLU A 97 -9.262 -15.796 -0.759 1.00 0.37 C ATOM 1520 O GLU A 97 -10.492 -15.889 -0.774 1.00 0.50 O ATOM 1521 CB GLU A 97 -8.424 -18.107 -0.285 1.00 0.46 C ATOM 1522 CG GLU A 97 -7.618 -19.314 -0.733 1.00 0.57 C ATOM 1523 CD GLU A 97 -8.009 -19.787 -2.117 1.00 0.73 C ATOM 1524 OE1 GLU A 97 -9.077 -20.414 -2.252 1.00 0.97 O ATOM 1525 OE2 GLU A 97 -7.258 -19.523 -3.078 1.00 0.93 O ATOM 0 H GLU A 97 -6.345 -16.872 -0.858 1.00 0.34 H new ATOM 0 HA GLU A 97 -8.814 -17.276 -2.233 1.00 0.38 H new ATOM 0 HB2 GLU A 97 -8.040 -17.760 0.674 1.00 0.46 H new ATOM 0 HB3 GLU A 97 -9.458 -18.412 -0.123 1.00 0.46 H new ATOM 0 HG2 GLU A 97 -6.557 -19.063 -0.724 1.00 0.57 H new ATOM 0 HG3 GLU A 97 -7.759 -20.127 -0.021 1.00 0.57 H new ATOM 1532 N LYS A 98 -8.626 -14.725 -0.295 1.00 0.33 N ATOM 1533 CA LYS A 98 -9.345 -13.570 0.229 1.00 0.38 C ATOM 1534 C LYS A 98 -8.659 -12.280 -0.215 1.00 0.37 C ATOM 1535 O LYS A 98 -7.882 -11.684 0.534 1.00 0.47 O ATOM 1536 CB LYS A 98 -9.421 -13.634 1.760 1.00 0.48 C ATOM 1537 CG LYS A 98 -10.170 -14.851 2.287 1.00 0.60 C ATOM 1538 CD LYS A 98 -10.142 -14.916 3.807 1.00 0.70 C ATOM 1539 CE LYS A 98 -10.963 -13.797 4.431 1.00 0.78 C ATOM 1540 NZ LYS A 98 -11.001 -13.890 5.915 1.00 0.89 N ATOM 0 H LYS A 98 -7.610 -14.633 -0.271 1.00 0.33 H new ATOM 0 HA LYS A 98 -10.361 -13.582 -0.167 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -8.409 -13.638 2.165 1.00 0.48 H new ATOM 0 HB3 LYS A 98 -9.908 -12.731 2.129 1.00 0.48 H new ATOM 0 HG2 LYS A 98 -11.204 -14.819 1.943 1.00 0.60 H new ATOM 0 HG3 LYS A 98 -9.726 -15.758 1.876 1.00 0.60 H new ATOM 0 HD2 LYS A 98 -10.529 -15.880 4.138 1.00 0.70 H new ATOM 0 HD3 LYS A 98 -9.111 -14.850 4.156 1.00 0.70 H new ATOM 0 HE2 LYS A 98 -10.543 -12.834 4.139 1.00 0.78 H new ATOM 0 HE3 LYS A 98 -11.980 -13.833 4.040 1.00 0.78 H new ATOM 0 HZ1 LYS A 98 -11.571 -13.108 6.297 1.00 0.89 H new ATOM 0 HZ2 LYS A 98 -11.425 -14.797 6.195 1.00 0.89 H new ATOM 0 HZ3 LYS A 98 -10.033 -13.829 6.292 1.00 0.89 H new ATOM 1554 N ASN A 99 -8.941 -11.859 -1.443 1.00 0.40 N ATOM 1555 CA ASN A 99 -8.338 -10.649 -1.989 1.00 0.48 C ATOM 1556 C ASN A 99 -9.163 -9.412 -1.631 1.00 0.44 C ATOM 1557 O ASN A 99 -10.260 -9.206 -2.148 1.00 0.78 O ATOM 1558 CB ASN A 99 -8.157 -10.762 -3.516 1.00 0.64 C ATOM 1559 CG ASN A 99 -9.453 -10.625 -4.303 1.00 0.72 C ATOM 1560 OD1 ASN A 99 -10.226 -11.580 -4.419 1.00 0.82 O ATOM 1561 ND2 ASN A 99 -9.689 -9.449 -4.874 1.00 1.07 N ATOM 0 H ASN A 99 -9.581 -12.336 -2.078 1.00 0.40 H new ATOM 0 HA ASN A 99 -7.352 -10.538 -1.538 1.00 0.48 H new ATOM 0 HB2 ASN A 99 -7.459 -9.993 -3.847 1.00 0.64 H new ATOM 0 HB3 ASN A 99 -7.703 -11.725 -3.748 1.00 0.64 H new ATOM 0 HD21 ASN A 99 -10.533 -9.313 -5.431 1.00 1.07 H new ATOM 0 HD22 ASN A 99 -9.027 -8.682 -4.756 1.00 1.07 H new ATOM 1568 N TRP A 100 -8.633 -8.606 -0.720 1.00 0.33 N ATOM 1569 CA TRP A 100 -9.295 -7.381 -0.293 1.00 0.32 C ATOM 1570 C TRP A 100 -8.415 -6.176 -0.611 1.00 0.32 C ATOM 1571 O TRP A 100 -7.368 -5.979 0.008 1.00 0.46 O ATOM 1572 CB TRP A 100 -9.621 -7.430 1.205 1.00 0.38 C ATOM 1573 CG TRP A 100 -10.788 -8.314 1.536 1.00 0.41 C ATOM 1574 CD1 TRP A 100 -10.817 -9.326 2.452 1.00 0.54 C ATOM 1575 CD2 TRP A 100 -12.096 -8.265 0.951 1.00 0.57 C ATOM 1576 NE1 TRP A 100 -12.066 -9.902 2.481 1.00 0.59 N ATOM 1577 CE2 TRP A 100 -12.866 -9.271 1.566 1.00 0.63 C ATOM 1578 CE3 TRP A 100 -12.693 -7.467 -0.031 1.00 0.83 C ATOM 1579 CZ2 TRP A 100 -14.200 -9.497 1.230 1.00 0.85 C ATOM 1580 CZ3 TRP A 100 -14.016 -7.693 -0.363 1.00 1.09 C ATOM 1581 CH2 TRP A 100 -14.755 -8.701 0.266 1.00 1.08 C ATOM 0 H TRP A 100 -7.740 -8.781 -0.260 1.00 0.33 H new ATOM 0 HA TRP A 100 -10.234 -7.286 -0.838 1.00 0.32 H new ATOM 0 HB2 TRP A 100 -8.744 -7.781 1.748 1.00 0.38 H new ATOM 0 HB3 TRP A 100 -9.830 -6.420 1.556 1.00 0.38 H new ATOM 0 HD1 TRP A 100 -9.981 -9.630 3.065 1.00 0.54 H new ATOM 0 HE1 TRP A 100 -12.350 -10.673 3.085 1.00 0.59 H new ATOM 0 HE3 TRP A 100 -12.130 -6.687 -0.522 1.00 0.83 H new ATOM 0 HZ2 TRP A 100 -14.775 -10.273 1.714 1.00 0.85 H new ATOM 0 HZ3 TRP A 100 -14.486 -7.082 -1.119 1.00 1.09 H new ATOM 0 HH2 TRP A 100 -15.786 -8.854 -0.016 1.00 1.08 H new ATOM 1592 N PHE A 101 -8.847 -5.384 -1.586 1.00 0.28 N ATOM 1593 CA PHE A 101 -8.105 -4.201 -2.017 1.00 0.29 C ATOM 1594 C PHE A 101 -7.834 -3.249 -0.852 1.00 0.29 C ATOM 1595 O PHE A 101 -8.701 -3.010 -0.003 1.00 0.38 O ATOM 1596 CB PHE A 101 -8.867 -3.462 -3.119 1.00 0.34 C ATOM 1597 CG PHE A 101 -9.054 -4.274 -4.369 1.00 0.41 C ATOM 1598 CD1 PHE A 101 -7.983 -4.527 -5.214 1.00 0.49 C ATOM 1599 CD2 PHE A 101 -10.298 -4.782 -4.702 1.00 0.54 C ATOM 1600 CE1 PHE A 101 -8.153 -5.273 -6.365 1.00 0.60 C ATOM 1601 CE2 PHE A 101 -10.473 -5.527 -5.850 1.00 0.64 C ATOM 1602 CZ PHE A 101 -9.401 -5.773 -6.683 1.00 0.64 C ATOM 0 H PHE A 101 -9.715 -5.541 -2.098 1.00 0.28 H new ATOM 0 HA PHE A 101 -7.146 -4.544 -2.407 1.00 0.29 H new ATOM 0 HB2 PHE A 101 -9.845 -3.167 -2.738 1.00 0.34 H new ATOM 0 HB3 PHE A 101 -8.332 -2.546 -3.368 1.00 0.34 H new ATOM 0 HD1 PHE A 101 -7.006 -4.137 -4.970 1.00 0.49 H new ATOM 0 HD2 PHE A 101 -11.142 -4.593 -4.055 1.00 0.54 H new ATOM 0 HE1 PHE A 101 -7.312 -5.465 -7.015 1.00 0.60 H new ATOM 0 HE2 PHE A 101 -11.449 -5.918 -6.097 1.00 0.64 H new ATOM 0 HZ PHE A 101 -9.537 -6.355 -7.582 1.00 0.64 H new ATOM 1612 N VAL A 102 -6.627 -2.699 -0.835 1.00 0.30 N ATOM 1613 CA VAL A 102 -6.207 -1.769 0.209 1.00 0.35 C ATOM 1614 C VAL A 102 -6.875 -0.391 0.031 1.00 0.55 C ATOM 1615 O VAL A 102 -8.022 -0.300 -0.422 1.00 1.36 O ATOM 1616 CB VAL A 102 -4.663 -1.629 0.228 1.00 0.57 C ATOM 1617 CG1 VAL A 102 -4.008 -2.972 0.517 1.00 0.67 C ATOM 1618 CG2 VAL A 102 -4.149 -1.054 -1.088 1.00 0.82 C ATOM 0 H VAL A 102 -5.913 -2.883 -1.540 1.00 0.30 H new ATOM 0 HA VAL A 102 -6.529 -2.176 1.168 1.00 0.35 H new ATOM 0 HB VAL A 102 -4.397 -0.935 1.026 1.00 0.57 H new ATOM 0 HG11 VAL A 102 -2.924 -2.854 0.526 1.00 0.67 H new ATOM 0 HG12 VAL A 102 -4.341 -3.338 1.488 1.00 0.67 H new ATOM 0 HG13 VAL A 102 -4.288 -3.687 -0.256 1.00 0.67 H new ATOM 0 HG21 VAL A 102 -3.063 -0.966 -1.047 1.00 0.82 H new ATOM 0 HG22 VAL A 102 -4.429 -1.715 -1.908 1.00 0.82 H new ATOM 0 HG23 VAL A 102 -4.587 -0.069 -1.250 1.00 0.82 H new ATOM 1628 N GLY A 103 -6.173 0.677 0.407 1.00 0.48 N ATOM 1629 CA GLY A 103 -6.721 2.012 0.281 1.00 0.46 C ATOM 1630 C GLY A 103 -7.064 2.599 1.630 1.00 0.41 C ATOM 1631 O GLY A 103 -8.026 2.158 2.276 1.00 0.59 O ATOM 0 H GLY A 103 -5.232 0.637 0.798 1.00 0.48 H new ATOM 0 HA2 GLY A 103 -6.001 2.656 -0.225 1.00 0.46 H new ATOM 0 HA3 GLY A 103 -7.615 1.982 -0.342 1.00 0.46 H new ATOM 1635 N LEU A 104 -6.285 3.581 2.057 1.00 0.37 N ATOM 1636 CA LEU A 104 -6.496 4.225 3.344 1.00 0.34 C ATOM 1637 C LEU A 104 -7.240 5.544 3.171 1.00 0.34 C ATOM 1638 O LEU A 104 -7.572 5.943 2.053 1.00 0.49 O ATOM 1639 CB LEU A 104 -5.155 4.476 4.040 1.00 0.38 C ATOM 1640 CG LEU A 104 -4.244 5.504 3.357 1.00 0.46 C ATOM 1641 CD1 LEU A 104 -3.664 6.467 4.381 1.00 0.69 C ATOM 1642 CD2 LEU A 104 -3.125 4.807 2.594 1.00 0.66 C ATOM 0 H LEU A 104 -5.496 3.951 1.527 1.00 0.37 H new ATOM 0 HA LEU A 104 -7.100 3.560 3.961 1.00 0.34 H new ATOM 0 HB2 LEU A 104 -5.350 4.809 5.059 1.00 0.38 H new ATOM 0 HB3 LEU A 104 -4.618 3.530 4.111 1.00 0.38 H new ATOM 0 HG LEU A 104 -4.844 6.072 2.647 1.00 0.46 H new ATOM 0 HD11 LEU A 104 -3.020 7.189 3.878 1.00 0.69 H new ATOM 0 HD12 LEU A 104 -4.474 6.993 4.886 1.00 0.69 H new ATOM 0 HD13 LEU A 104 -3.081 5.910 5.115 1.00 0.69 H new ATOM 0 HD21 LEU A 104 -2.490 5.554 2.117 1.00 0.66 H new ATOM 0 HD22 LEU A 104 -2.529 4.212 3.286 1.00 0.66 H new ATOM 0 HD23 LEU A 104 -3.554 4.156 1.833 1.00 0.66 H new ATOM 1654 N LYS A 105 -7.501 6.209 4.288 1.00 0.39 N ATOM 1655 CA LYS A 105 -8.190 7.488 4.285 1.00 0.41 C ATOM 1656 C LYS A 105 -7.307 8.538 4.950 1.00 0.32 C ATOM 1657 O LYS A 105 -6.805 8.324 6.059 1.00 0.34 O ATOM 1658 CB LYS A 105 -9.528 7.376 5.023 1.00 0.58 C ATOM 1659 CG LYS A 105 -10.590 8.334 4.512 1.00 0.58 C ATOM 1660 CD LYS A 105 -11.169 7.868 3.186 1.00 0.61 C ATOM 1661 CE LYS A 105 -12.467 8.587 2.857 1.00 0.73 C ATOM 1662 NZ LYS A 105 -12.240 9.977 2.379 1.00 0.60 N ATOM 0 H LYS A 105 -7.242 5.877 5.217 1.00 0.39 H new ATOM 0 HA LYS A 105 -8.392 7.784 3.256 1.00 0.41 H new ATOM 0 HB2 LYS A 105 -9.898 6.355 4.932 1.00 0.58 H new ATOM 0 HB3 LYS A 105 -9.364 7.562 6.084 1.00 0.58 H new ATOM 0 HG2 LYS A 105 -11.389 8.420 5.249 1.00 0.58 H new ATOM 0 HG3 LYS A 105 -10.158 9.328 4.393 1.00 0.58 H new ATOM 0 HD2 LYS A 105 -10.444 8.043 2.391 1.00 0.61 H new ATOM 0 HD3 LYS A 105 -11.348 6.793 3.224 1.00 0.61 H new ATOM 0 HE2 LYS A 105 -13.006 8.027 2.093 1.00 0.73 H new ATOM 0 HE3 LYS A 105 -13.101 8.609 3.743 1.00 0.73 H new ATOM 0 HZ1 LYS A 105 -13.097 10.324 1.902 1.00 0.60 H new ATOM 0 HZ2 LYS A 105 -12.021 10.591 3.189 1.00 0.60 H new ATOM 0 HZ3 LYS A 105 -11.443 9.989 1.711 1.00 0.60 H new ATOM 1676 N LYS A 106 -7.119 9.666 4.267 1.00 0.36 N ATOM 1677 CA LYS A 106 -6.287 10.759 4.780 1.00 0.46 C ATOM 1678 C LYS A 106 -6.557 11.035 6.259 1.00 0.51 C ATOM 1679 O LYS A 106 -5.662 11.475 6.983 1.00 0.67 O ATOM 1680 CB LYS A 106 -6.484 12.034 3.952 1.00 0.60 C ATOM 1681 CG LYS A 106 -7.939 12.410 3.704 1.00 0.67 C ATOM 1682 CD LYS A 106 -8.061 13.351 2.518 1.00 0.90 C ATOM 1683 CE LYS A 106 -9.501 13.770 2.277 1.00 1.14 C ATOM 1684 NZ LYS A 106 -9.667 14.424 0.952 1.00 1.43 N ATOM 0 H LYS A 106 -7.533 9.850 3.353 1.00 0.36 H new ATOM 0 HA LYS A 106 -5.248 10.441 4.688 1.00 0.46 H new ATOM 0 HB2 LYS A 106 -5.990 12.862 4.461 1.00 0.60 H new ATOM 0 HB3 LYS A 106 -5.986 11.908 2.991 1.00 0.60 H new ATOM 0 HG2 LYS A 106 -8.525 11.510 3.521 1.00 0.67 H new ATOM 0 HG3 LYS A 106 -8.353 12.884 4.594 1.00 0.67 H new ATOM 0 HD2 LYS A 106 -7.449 14.236 2.692 1.00 0.90 H new ATOM 0 HD3 LYS A 106 -7.670 12.863 1.625 1.00 0.90 H new ATOM 0 HE2 LYS A 106 -10.149 12.896 2.336 1.00 1.14 H new ATOM 0 HE3 LYS A 106 -9.818 14.455 3.064 1.00 1.14 H new ATOM 0 HZ1 LYS A 106 -10.452 15.105 0.997 1.00 1.43 H new ATOM 0 HZ2 LYS A 106 -8.790 14.923 0.699 1.00 1.43 H new ATOM 0 HZ3 LYS A 106 -9.875 13.703 0.232 1.00 1.43 H new ATOM 1698 N ASN A 107 -7.787 10.776 6.701 1.00 0.53 N ATOM 1699 CA ASN A 107 -8.159 10.970 8.102 1.00 0.70 C ATOM 1700 C ASN A 107 -7.145 10.292 9.028 1.00 0.65 C ATOM 1701 O ASN A 107 -6.919 10.745 10.151 1.00 0.82 O ATOM 1702 CB ASN A 107 -9.564 10.407 8.369 1.00 0.83 C ATOM 1703 CG ASN A 107 -9.538 8.999 8.954 1.00 1.04 C ATOM 1704 OD1 ASN A 107 -9.412 8.011 8.229 1.00 1.17 O ATOM 1705 ND2 ASN A 107 -9.658 8.895 10.270 1.00 1.38 N ATOM 0 H ASN A 107 -8.543 10.431 6.109 1.00 0.53 H new ATOM 0 HA ASN A 107 -8.162 12.041 8.306 1.00 0.70 H new ATOM 0 HB2 ASN A 107 -10.091 11.070 9.055 1.00 0.83 H new ATOM 0 HB3 ASN A 107 -10.129 10.397 7.437 1.00 0.83 H new ATOM 0 HD21 ASN A 107 -9.648 7.976 10.712 1.00 1.38 H new ATOM 0 HD22 ASN A 107 -9.761 9.734 10.841 1.00 1.38 H new ATOM 1712 N GLY A 108 -6.549 9.201 8.546 1.00 0.49 N ATOM 1713 CA GLY A 108 -5.571 8.471 9.331 1.00 0.55 C ATOM 1714 C GLY A 108 -6.010 7.053 9.644 1.00 0.52 C ATOM 1715 O GLY A 108 -5.733 6.539 10.731 1.00 1.00 O ATOM 0 H GLY A 108 -6.729 8.810 7.621 1.00 0.49 H new ATOM 0 HA2 GLY A 108 -4.625 8.443 8.790 1.00 0.55 H new ATOM 0 HA3 GLY A 108 -5.389 9.005 10.264 1.00 0.55 H new ATOM 1719 N SER A 109 -6.697 6.414 8.701 1.00 0.52 N ATOM 1720 CA SER A 109 -7.161 5.047 8.890 1.00 0.56 C ATOM 1721 C SER A 109 -7.197 4.309 7.554 1.00 0.51 C ATOM 1722 O SER A 109 -7.220 4.933 6.489 1.00 0.81 O ATOM 1723 CB SER A 109 -8.547 5.033 9.554 1.00 0.75 C ATOM 1724 OG SER A 109 -9.552 5.555 8.695 1.00 0.97 O ATOM 0 H SER A 109 -6.944 6.823 7.799 1.00 0.52 H new ATOM 0 HA SER A 109 -6.462 4.533 9.550 1.00 0.56 H new ATOM 0 HB2 SER A 109 -8.804 4.012 9.835 1.00 0.75 H new ATOM 0 HB3 SER A 109 -8.515 5.618 10.473 1.00 0.75 H new ATOM 0 HG SER A 109 -9.619 6.524 8.821 1.00 0.97 H new ATOM 1730 N CYS A 110 -7.183 2.984 7.615 1.00 0.37 N ATOM 1731 CA CYS A 110 -7.218 2.159 6.416 1.00 0.38 C ATOM 1732 C CYS A 110 -8.572 1.469 6.299 1.00 0.36 C ATOM 1733 O CYS A 110 -9.222 1.195 7.312 1.00 0.54 O ATOM 1734 CB CYS A 110 -6.092 1.121 6.451 1.00 0.47 C ATOM 1735 SG CYS A 110 -4.450 1.825 6.723 1.00 0.61 S ATOM 0 H CYS A 110 -7.147 2.456 8.487 1.00 0.37 H new ATOM 0 HA CYS A 110 -7.072 2.797 5.545 1.00 0.38 H new ATOM 0 HB2 CYS A 110 -6.302 0.399 7.240 1.00 0.47 H new ATOM 0 HB3 CYS A 110 -6.089 0.572 5.510 1.00 0.47 H new ATOM 0 HG CYS A 110 -3.647 0.899 7.156 1.00 0.61 H new ATOM 1741 N LYS A 111 -9.008 1.202 5.069 1.00 0.38 N ATOM 1742 CA LYS A 111 -10.290 0.544 4.852 1.00 0.44 C ATOM 1743 C LYS A 111 -10.160 -0.601 3.863 1.00 0.47 C ATOM 1744 O LYS A 111 -10.366 -0.431 2.662 1.00 0.88 O ATOM 1745 CB LYS A 111 -11.345 1.546 4.383 1.00 0.60 C ATOM 1746 CG LYS A 111 -11.653 2.607 5.426 1.00 0.69 C ATOM 1747 CD LYS A 111 -12.176 1.984 6.714 1.00 0.79 C ATOM 1748 CE LYS A 111 -11.817 2.822 7.931 1.00 0.94 C ATOM 1749 NZ LYS A 111 -11.136 2.012 8.980 1.00 1.27 N ATOM 0 H LYS A 111 -8.496 1.430 4.217 1.00 0.38 H new ATOM 0 HA LYS A 111 -10.614 0.128 5.806 1.00 0.44 H new ATOM 0 HB2 LYS A 111 -10.999 2.030 3.470 1.00 0.60 H new ATOM 0 HB3 LYS A 111 -12.262 1.012 4.133 1.00 0.60 H new ATOM 0 HG2 LYS A 111 -10.752 3.183 5.638 1.00 0.69 H new ATOM 0 HG3 LYS A 111 -12.392 3.304 5.031 1.00 0.69 H new ATOM 0 HD2 LYS A 111 -13.259 1.877 6.653 1.00 0.79 H new ATOM 0 HD3 LYS A 111 -11.762 0.982 6.827 1.00 0.79 H new ATOM 0 HE2 LYS A 111 -11.168 3.644 7.628 1.00 0.94 H new ATOM 0 HE3 LYS A 111 -12.722 3.267 8.346 1.00 0.94 H new ATOM 0 HZ1 LYS A 111 -10.685 2.646 9.670 1.00 1.27 H new ATOM 0 HZ2 LYS A 111 -11.835 1.414 9.465 1.00 1.27 H new ATOM 0 HZ3 LYS A 111 -10.412 1.410 8.538 1.00 1.27 H new ATOM 1763 N ARG A 112 -9.796 -1.764 4.384 1.00 0.36 N ATOM 1764 CA ARG A 112 -9.645 -2.963 3.571 1.00 0.36 C ATOM 1765 C ARG A 112 -10.544 -4.074 4.113 1.00 0.37 C ATOM 1766 O ARG A 112 -11.305 -4.687 3.367 1.00 0.47 O ATOM 1767 CB ARG A 112 -8.178 -3.412 3.552 1.00 0.39 C ATOM 1768 CG ARG A 112 -7.905 -4.613 2.654 1.00 0.42 C ATOM 1769 CD ARG A 112 -7.653 -5.874 3.467 1.00 0.55 C ATOM 1770 NE ARG A 112 -6.549 -5.712 4.419 1.00 0.81 N ATOM 1771 CZ ARG A 112 -6.161 -6.655 5.287 1.00 1.24 C ATOM 1772 NH1 ARG A 112 -6.762 -7.844 5.309 1.00 1.69 N ATOM 1773 NH2 ARG A 112 -5.170 -6.411 6.135 1.00 1.57 N ATOM 0 H ARG A 112 -9.598 -1.903 5.375 1.00 0.36 H new ATOM 0 HA ARG A 112 -9.946 -2.740 2.547 1.00 0.36 H new ATOM 0 HB2 ARG A 112 -7.558 -2.578 3.223 1.00 0.39 H new ATOM 0 HB3 ARG A 112 -7.871 -3.655 4.569 1.00 0.39 H new ATOM 0 HG2 ARG A 112 -8.754 -4.772 1.989 1.00 0.42 H new ATOM 0 HG3 ARG A 112 -7.040 -4.407 2.023 1.00 0.42 H new ATOM 0 HD2 ARG A 112 -8.560 -6.142 4.009 1.00 0.55 H new ATOM 0 HD3 ARG A 112 -7.429 -6.700 2.792 1.00 0.55 H new ATOM 0 HE ARG A 112 -6.045 -4.825 4.420 1.00 0.81 H new ATOM 0 HH11 ARG A 112 -7.524 -8.042 4.661 1.00 1.69 H new ATOM 0 HH12 ARG A 112 -6.460 -8.556 5.974 1.00 1.69 H new ATOM 0 HH21 ARG A 112 -4.703 -5.504 6.126 1.00 1.57 H new ATOM 0 HH22 ARG A 112 -4.875 -7.130 6.796 1.00 1.57 H new ATOM 1787 N GLY A 113 -10.460 -4.311 5.423 1.00 0.36 N ATOM 1788 CA GLY A 113 -11.273 -5.338 6.053 1.00 0.43 C ATOM 1789 C GLY A 113 -12.752 -4.986 6.106 1.00 0.41 C ATOM 1790 O GLY A 113 -13.585 -5.798 5.699 1.00 0.46 O ATOM 0 H GLY A 113 -9.841 -3.808 6.059 1.00 0.36 H new ATOM 0 HA2 GLY A 113 -11.149 -6.274 5.509 1.00 0.43 H new ATOM 0 HA3 GLY A 113 -10.910 -5.508 7.067 1.00 0.43 H new ATOM 1794 N PRO A 114 -13.114 -3.777 6.596 1.00 0.44 N ATOM 1795 CA PRO A 114 -14.513 -3.349 6.704 1.00 0.50 C ATOM 1796 C PRO A 114 -15.343 -3.731 5.480 1.00 0.41 C ATOM 1797 O PRO A 114 -16.350 -4.429 5.601 1.00 0.45 O ATOM 1798 CB PRO A 114 -14.402 -1.830 6.832 1.00 0.62 C ATOM 1799 CG PRO A 114 -13.105 -1.613 7.528 1.00 0.71 C ATOM 1800 CD PRO A 114 -12.191 -2.733 7.089 1.00 0.52 C ATOM 0 HA PRO A 114 -15.023 -3.827 7.540 1.00 0.50 H new ATOM 0 HB2 PRO A 114 -14.415 -1.347 5.855 1.00 0.62 H new ATOM 0 HB3 PRO A 114 -15.234 -1.417 7.403 1.00 0.62 H new ATOM 0 HG2 PRO A 114 -12.682 -0.643 7.268 1.00 0.71 H new ATOM 0 HG3 PRO A 114 -13.239 -1.623 8.610 1.00 0.71 H new ATOM 0 HD2 PRO A 114 -11.505 -2.405 6.308 1.00 0.52 H new ATOM 0 HD3 PRO A 114 -11.581 -3.098 7.916 1.00 0.52 H new ATOM 1808 N ARG A 115 -14.902 -3.277 4.309 1.00 0.38 N ATOM 1809 CA ARG A 115 -15.584 -3.554 3.049 1.00 0.39 C ATOM 1810 C ARG A 115 -14.974 -2.712 1.933 1.00 0.44 C ATOM 1811 O ARG A 115 -15.374 -1.564 1.720 1.00 0.81 O ATOM 1812 CB ARG A 115 -17.086 -3.265 3.160 1.00 0.51 C ATOM 1813 CG ARG A 115 -17.826 -3.346 1.832 1.00 0.57 C ATOM 1814 CD ARG A 115 -18.946 -2.322 1.760 1.00 0.69 C ATOM 1815 NE ARG A 115 -18.452 -0.958 1.974 1.00 0.90 N ATOM 1816 CZ ARG A 115 -19.235 0.125 2.041 1.00 1.11 C ATOM 1817 NH1 ARG A 115 -20.547 0.020 1.861 1.00 1.30 N ATOM 1818 NH2 ARG A 115 -18.700 1.316 2.281 1.00 1.47 N ATOM 0 H ARG A 115 -14.062 -2.707 4.208 1.00 0.38 H new ATOM 0 HA ARG A 115 -15.457 -4.611 2.817 1.00 0.39 H new ATOM 0 HB2 ARG A 115 -17.532 -3.973 3.858 1.00 0.51 H new ATOM 0 HB3 ARG A 115 -17.225 -2.270 3.583 1.00 0.51 H new ATOM 0 HG2 ARG A 115 -17.126 -3.181 1.013 1.00 0.57 H new ATOM 0 HG3 ARG A 115 -18.237 -4.347 1.703 1.00 0.57 H new ATOM 0 HD2 ARG A 115 -19.433 -2.384 0.787 1.00 0.69 H new ATOM 0 HD3 ARG A 115 -19.702 -2.557 2.510 1.00 0.69 H new ATOM 0 HE ARG A 115 -17.446 -0.826 2.079 1.00 0.90 H new ATOM 0 HH11 ARG A 115 -20.964 -0.891 1.670 1.00 1.30 H new ATOM 0 HH12 ARG A 115 -21.137 0.850 1.914 1.00 1.30 H new ATOM 0 HH21 ARG A 115 -17.693 1.405 2.414 1.00 1.47 H new ATOM 0 HH22 ARG A 115 -19.296 2.142 2.332 1.00 1.47 H new ATOM 1832 N THR A 116 -13.996 -3.279 1.245 1.00 0.36 N ATOM 1833 CA THR A 116 -13.316 -2.592 0.158 1.00 0.38 C ATOM 1834 C THR A 116 -13.895 -3.037 -1.190 1.00 0.39 C ATOM 1835 O THR A 116 -14.102 -4.231 -1.413 1.00 0.51 O ATOM 1836 CB THR A 116 -11.793 -2.863 0.219 1.00 0.45 C ATOM 1837 OG1 THR A 116 -11.057 -1.734 -0.279 1.00 0.57 O ATOM 1838 CG2 THR A 116 -11.422 -4.116 -0.567 1.00 0.58 C ATOM 0 H THR A 116 -13.652 -4.223 1.423 1.00 0.36 H new ATOM 0 HA THR A 116 -13.475 -1.519 0.264 1.00 0.38 H new ATOM 0 HB THR A 116 -11.528 -3.024 1.264 1.00 0.45 H new ATOM 0 HG1 THR A 116 -10.096 -1.913 -0.209 1.00 0.57 H new ATOM 0 HG21 THR A 116 -10.346 -4.279 -0.505 1.00 0.58 H new ATOM 0 HG22 THR A 116 -11.944 -4.976 -0.148 1.00 0.58 H new ATOM 0 HG23 THR A 116 -11.710 -3.989 -1.611 1.00 0.58 H new ATOM 1846 N HIS A 117 -14.159 -2.065 -2.073 1.00 0.37 N ATOM 1847 CA HIS A 117 -14.729 -2.315 -3.406 1.00 0.39 C ATOM 1848 C HIS A 117 -15.432 -1.061 -3.917 1.00 0.36 C ATOM 1849 O HIS A 117 -15.141 -0.577 -5.009 1.00 0.42 O ATOM 1850 CB HIS A 117 -15.729 -3.480 -3.397 1.00 0.43 C ATOM 1851 CG HIS A 117 -15.154 -4.779 -3.878 1.00 0.57 C ATOM 1852 ND1 HIS A 117 -15.516 -6.003 -3.359 1.00 0.85 N ATOM 1853 CD2 HIS A 117 -14.233 -5.041 -4.836 1.00 0.77 C ATOM 1854 CE1 HIS A 117 -14.848 -6.957 -3.977 1.00 0.95 C ATOM 1855 NE2 HIS A 117 -14.062 -6.403 -4.880 1.00 0.89 N ATOM 0 H HIS A 117 -13.983 -1.078 -1.883 1.00 0.37 H new ATOM 0 HA HIS A 117 -13.902 -2.581 -4.064 1.00 0.39 H new ATOM 0 HB2 HIS A 117 -16.106 -3.614 -2.383 1.00 0.43 H new ATOM 0 HB3 HIS A 117 -16.582 -3.218 -4.022 1.00 0.43 H new ATOM 0 HD2 HIS A 117 -13.726 -4.313 -5.452 1.00 0.77 H new ATOM 0 HE1 HIS A 117 -14.931 -8.015 -3.777 1.00 0.95 H new ATOM 0 HE2 HIS A 117 -13.432 -6.903 -5.507 1.00 0.89 H new ATOM 1864 N TYR A 118 -16.363 -0.544 -3.119 1.00 0.38 N ATOM 1865 CA TYR A 118 -17.101 0.659 -3.487 1.00 0.41 C ATOM 1866 C TYR A 118 -16.245 1.885 -3.213 1.00 0.39 C ATOM 1867 O TYR A 118 -15.695 2.030 -2.119 1.00 0.48 O ATOM 1868 CB TYR A 118 -18.417 0.752 -2.711 1.00 0.51 C ATOM 1869 CG TYR A 118 -19.303 -0.466 -2.875 1.00 0.56 C ATOM 1870 CD1 TYR A 118 -20.015 -0.680 -4.049 1.00 0.79 C ATOM 1871 CD2 TYR A 118 -19.421 -1.402 -1.855 1.00 0.75 C ATOM 1872 CE1 TYR A 118 -20.818 -1.792 -4.200 1.00 0.92 C ATOM 1873 CE2 TYR A 118 -20.225 -2.516 -2.000 1.00 0.87 C ATOM 1874 CZ TYR A 118 -20.920 -2.707 -3.174 1.00 0.86 C ATOM 1875 OH TYR A 118 -21.718 -3.822 -3.328 1.00 1.05 O ATOM 0 H TYR A 118 -16.623 -0.939 -2.215 1.00 0.38 H new ATOM 0 HA TYR A 118 -17.338 0.611 -4.550 1.00 0.41 H new ATOM 0 HB2 TYR A 118 -18.196 0.891 -1.653 1.00 0.51 H new ATOM 0 HB3 TYR A 118 -18.963 1.636 -3.042 1.00 0.51 H new ATOM 0 HD1 TYR A 118 -19.939 0.035 -4.855 1.00 0.79 H new ATOM 0 HD2 TYR A 118 -18.876 -1.256 -0.934 1.00 0.75 H new ATOM 0 HE1 TYR A 118 -21.365 -1.945 -5.119 1.00 0.92 H new ATOM 0 HE2 TYR A 118 -20.308 -3.233 -1.197 1.00 0.87 H new ATOM 0 HH TYR A 118 -21.680 -4.367 -2.514 1.00 1.05 H new ATOM 1885 N GLY A 119 -16.133 2.758 -4.202 1.00 0.38 N ATOM 1886 CA GLY A 119 -15.325 3.947 -4.053 1.00 0.39 C ATOM 1887 C GLY A 119 -13.944 3.756 -4.646 1.00 0.37 C ATOM 1888 O GLY A 119 -13.198 2.870 -4.218 1.00 0.44 O ATOM 0 H GLY A 119 -16.590 2.662 -5.109 1.00 0.38 H new ATOM 0 HA2 GLY A 119 -15.819 4.787 -4.541 1.00 0.39 H new ATOM 0 HA3 GLY A 119 -15.237 4.199 -2.996 1.00 0.39 H new ATOM 1892 N GLN A 120 -13.599 4.591 -5.628 1.00 0.37 N ATOM 1893 CA GLN A 120 -12.300 4.510 -6.301 1.00 0.38 C ATOM 1894 C GLN A 120 -11.148 4.381 -5.306 1.00 0.37 C ATOM 1895 O GLN A 120 -10.107 3.816 -5.637 1.00 0.34 O ATOM 1896 CB GLN A 120 -12.082 5.727 -7.207 1.00 0.50 C ATOM 1897 CG GLN A 120 -12.825 5.635 -8.529 1.00 0.64 C ATOM 1898 CD GLN A 120 -12.489 6.778 -9.464 1.00 0.80 C ATOM 1899 OE1 GLN A 120 -11.560 6.686 -10.264 1.00 0.99 O ATOM 1900 NE2 GLN A 120 -13.236 7.865 -9.371 1.00 1.00 N ATOM 0 H GLN A 120 -14.204 5.335 -5.977 1.00 0.37 H new ATOM 0 HA GLN A 120 -12.312 3.608 -6.913 1.00 0.38 H new ATOM 0 HB2 GLN A 120 -12.403 6.625 -6.680 1.00 0.50 H new ATOM 0 HB3 GLN A 120 -11.016 5.837 -7.405 1.00 0.50 H new ATOM 0 HG2 GLN A 120 -12.581 4.690 -9.014 1.00 0.64 H new ATOM 0 HG3 GLN A 120 -13.898 5.629 -8.339 1.00 0.64 H new ATOM 0 HE21 GLN A 120 -13.998 7.904 -8.694 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -13.050 8.665 -9.976 1.00 1.00 H new ATOM 1909 N LYS A 121 -11.335 4.885 -4.086 1.00 0.51 N ATOM 1910 CA LYS A 121 -10.297 4.808 -3.055 1.00 0.61 C ATOM 1911 C LYS A 121 -9.737 3.387 -2.941 1.00 0.58 C ATOM 1912 O LYS A 121 -8.568 3.201 -2.608 1.00 0.70 O ATOM 1913 CB LYS A 121 -10.850 5.269 -1.694 1.00 0.89 C ATOM 1914 CG LYS A 121 -11.520 4.164 -0.879 1.00 1.06 C ATOM 1915 CD LYS A 121 -10.501 3.365 -0.072 1.00 1.39 C ATOM 1916 CE LYS A 121 -11.052 2.012 0.352 1.00 1.34 C ATOM 1917 NZ LYS A 121 -9.968 1.055 0.707 1.00 1.70 N ATOM 0 H LYS A 121 -12.192 5.350 -3.787 1.00 0.51 H new ATOM 0 HA LYS A 121 -9.486 5.474 -3.349 1.00 0.61 H new ATOM 0 HB2 LYS A 121 -10.034 5.692 -1.108 1.00 0.89 H new ATOM 0 HB3 LYS A 121 -11.571 6.069 -1.861 1.00 0.89 H new ATOM 0 HG2 LYS A 121 -12.255 4.603 -0.205 1.00 1.06 H new ATOM 0 HG3 LYS A 121 -12.061 3.495 -1.548 1.00 1.06 H new ATOM 0 HD2 LYS A 121 -9.599 3.220 -0.667 1.00 1.39 H new ATOM 0 HD3 LYS A 121 -10.212 3.933 0.812 1.00 1.39 H new ATOM 0 HE2 LYS A 121 -11.715 2.142 1.207 1.00 1.34 H new ATOM 0 HE3 LYS A 121 -11.653 1.596 -0.457 1.00 1.34 H new ATOM 0 HZ1 LYS A 121 -10.373 0.248 1.224 1.00 1.70 H new ATOM 0 HZ2 LYS A 121 -9.508 0.714 -0.161 1.00 1.70 H new ATOM 0 HZ3 LYS A 121 -9.265 1.533 1.306 1.00 1.70 H new ATOM 1931 N ALA A 122 -10.580 2.388 -3.207 1.00 0.54 N ATOM 1932 CA ALA A 122 -10.166 0.989 -3.115 1.00 0.65 C ATOM 1933 C ALA A 122 -9.596 0.454 -4.432 1.00 0.57 C ATOM 1934 O ALA A 122 -9.069 -0.658 -4.468 1.00 0.72 O ATOM 1935 CB ALA A 122 -11.342 0.129 -2.673 1.00 0.77 C ATOM 0 H ALA A 122 -11.552 2.522 -3.487 1.00 0.54 H new ATOM 0 HA ALA A 122 -9.367 0.939 -2.375 1.00 0.65 H new ATOM 0 HB1 ALA A 122 -11.027 -0.912 -2.607 1.00 0.77 H new ATOM 0 HB2 ALA A 122 -11.692 0.465 -1.697 1.00 0.77 H new ATOM 0 HB3 ALA A 122 -12.151 0.218 -3.399 1.00 0.77 H new ATOM 1941 N ILE A 123 -9.683 1.240 -5.504 1.00 0.43 N ATOM 1942 CA ILE A 123 -9.186 0.802 -6.806 1.00 0.48 C ATOM 1943 C ILE A 123 -8.572 1.968 -7.589 1.00 0.41 C ATOM 1944 O ILE A 123 -8.749 2.072 -8.803 1.00 0.61 O ATOM 1945 CB ILE A 123 -10.313 0.156 -7.658 1.00 0.61 C ATOM 1946 CG1 ILE A 123 -11.237 -0.713 -6.793 1.00 0.74 C ATOM 1947 CG2 ILE A 123 -9.716 -0.679 -8.783 1.00 0.77 C ATOM 1948 CD1 ILE A 123 -12.354 0.062 -6.125 1.00 0.79 C ATOM 0 H ILE A 123 -10.089 2.175 -5.497 1.00 0.43 H new ATOM 0 HA ILE A 123 -8.416 0.056 -6.611 1.00 0.48 H new ATOM 0 HB ILE A 123 -10.908 0.962 -8.088 1.00 0.61 H new ATOM 0 HG12 ILE A 123 -11.671 -1.496 -7.415 1.00 0.74 H new ATOM 0 HG13 ILE A 123 -10.642 -1.209 -6.026 1.00 0.74 H new ATOM 0 HG21 ILE A 123 -10.519 -1.125 -9.371 1.00 0.77 H new ATOM 0 HG22 ILE A 123 -9.107 -0.042 -9.425 1.00 0.77 H new ATOM 0 HG23 ILE A 123 -9.095 -1.468 -8.360 1.00 0.77 H new ATOM 0 HD11 ILE A 123 -12.965 -0.618 -5.531 1.00 0.79 H new ATOM 0 HD12 ILE A 123 -11.928 0.827 -5.476 1.00 0.79 H new ATOM 0 HD13 ILE A 123 -12.974 0.536 -6.886 1.00 0.79 H new ATOM 1960 N LEU A 124 -7.841 2.838 -6.898 1.00 0.31 N ATOM 1961 CA LEU A 124 -7.214 3.982 -7.548 1.00 0.29 C ATOM 1962 C LEU A 124 -5.948 4.408 -6.801 1.00 0.26 C ATOM 1963 O LEU A 124 -5.850 5.536 -6.304 1.00 0.38 O ATOM 1964 CB LEU A 124 -8.204 5.152 -7.645 1.00 0.33 C ATOM 1965 CG LEU A 124 -7.839 6.232 -8.669 1.00 0.50 C ATOM 1966 CD1 LEU A 124 -7.803 5.658 -10.079 1.00 0.63 C ATOM 1967 CD2 LEU A 124 -8.825 7.389 -8.594 1.00 0.58 C ATOM 0 H LEU A 124 -7.670 2.773 -5.895 1.00 0.31 H new ATOM 0 HA LEU A 124 -6.927 3.686 -8.557 1.00 0.29 H new ATOM 0 HB2 LEU A 124 -9.188 4.755 -7.895 1.00 0.33 H new ATOM 0 HB3 LEU A 124 -8.288 5.618 -6.663 1.00 0.33 H new ATOM 0 HG LEU A 124 -6.843 6.603 -8.428 1.00 0.50 H new ATOM 0 HD11 LEU A 124 -7.542 6.445 -10.786 1.00 0.63 H new ATOM 0 HD12 LEU A 124 -7.059 4.863 -10.129 1.00 0.63 H new ATOM 0 HD13 LEU A 124 -8.783 5.254 -10.332 1.00 0.63 H new ATOM 0 HD21 LEU A 124 -8.552 8.148 -9.327 1.00 0.58 H new ATOM 0 HD22 LEU A 124 -9.830 7.025 -8.806 1.00 0.58 H new ATOM 0 HD23 LEU A 124 -8.800 7.824 -7.595 1.00 0.58 H new ATOM 1979 N PHE A 125 -4.982 3.495 -6.728 1.00 0.20 N ATOM 1980 CA PHE A 125 -3.716 3.762 -6.047 1.00 0.23 C ATOM 1981 C PHE A 125 -2.658 4.188 -7.060 1.00 0.17 C ATOM 1982 O PHE A 125 -2.467 3.516 -8.081 1.00 0.18 O ATOM 1983 CB PHE A 125 -3.232 2.520 -5.287 1.00 0.33 C ATOM 1984 CG PHE A 125 -4.326 1.773 -4.576 1.00 0.30 C ATOM 1985 CD1 PHE A 125 -5.053 2.372 -3.559 1.00 0.40 C ATOM 1986 CD2 PHE A 125 -4.624 0.465 -4.926 1.00 0.41 C ATOM 1987 CE1 PHE A 125 -6.055 1.679 -2.907 1.00 0.51 C ATOM 1988 CE2 PHE A 125 -5.624 -0.230 -4.277 1.00 0.51 C ATOM 1989 CZ PHE A 125 -6.340 0.377 -3.266 1.00 0.54 C ATOM 0 H PHE A 125 -5.052 2.561 -7.133 1.00 0.20 H new ATOM 0 HA PHE A 125 -3.878 4.567 -5.330 1.00 0.23 H new ATOM 0 HB2 PHE A 125 -2.742 1.845 -5.989 1.00 0.33 H new ATOM 0 HB3 PHE A 125 -2.480 2.823 -4.558 1.00 0.33 H new ATOM 0 HD1 PHE A 125 -4.834 3.390 -3.273 1.00 0.40 H new ATOM 0 HD2 PHE A 125 -4.067 -0.016 -5.716 1.00 0.41 H new ATOM 0 HE1 PHE A 125 -6.615 2.156 -2.116 1.00 0.51 H new ATOM 0 HE2 PHE A 125 -5.846 -1.248 -4.560 1.00 0.51 H new ATOM 0 HZ PHE A 125 -7.122 -0.166 -2.756 1.00 0.54 H new ATOM 1999 N LEU A 126 -1.972 5.291 -6.774 1.00 0.18 N ATOM 2000 CA LEU A 126 -0.938 5.808 -7.662 1.00 0.19 C ATOM 2001 C LEU A 126 0.446 5.680 -7.020 1.00 0.20 C ATOM 2002 O LEU A 126 0.808 6.462 -6.137 1.00 0.33 O ATOM 2003 CB LEU A 126 -1.226 7.274 -8.022 1.00 0.32 C ATOM 2004 CG LEU A 126 -0.175 7.947 -8.915 1.00 0.39 C ATOM 2005 CD1 LEU A 126 -0.027 7.195 -10.233 1.00 0.44 C ATOM 2006 CD2 LEU A 126 -0.541 9.405 -9.168 1.00 0.59 C ATOM 0 H LEU A 126 -2.115 5.845 -5.930 1.00 0.18 H new ATOM 0 HA LEU A 126 -0.946 5.214 -8.576 1.00 0.19 H new ATOM 0 HB2 LEU A 126 -2.192 7.325 -8.524 1.00 0.32 H new ATOM 0 HB3 LEU A 126 -1.316 7.847 -7.099 1.00 0.32 H new ATOM 0 HG LEU A 126 0.783 7.918 -8.396 1.00 0.39 H new ATOM 0 HD11 LEU A 126 0.723 7.689 -10.851 1.00 0.44 H new ATOM 0 HD12 LEU A 126 0.285 6.170 -10.034 1.00 0.44 H new ATOM 0 HD13 LEU A 126 -0.983 7.188 -10.757 1.00 0.44 H new ATOM 0 HD21 LEU A 126 0.216 9.865 -9.803 1.00 0.59 H new ATOM 0 HD22 LEU A 126 -1.510 9.456 -9.664 1.00 0.59 H new ATOM 0 HD23 LEU A 126 -0.591 9.938 -8.218 1.00 0.59 H new ATOM 2018 N PRO A 127 1.220 4.665 -7.430 1.00 0.21 N ATOM 2019 CA PRO A 127 2.560 4.427 -6.929 1.00 0.29 C ATOM 2020 C PRO A 127 3.623 4.970 -7.884 1.00 0.25 C ATOM 2021 O PRO A 127 3.298 5.536 -8.929 1.00 0.38 O ATOM 2022 CB PRO A 127 2.605 2.901 -6.891 1.00 0.42 C ATOM 2023 CG PRO A 127 1.742 2.462 -8.036 1.00 0.43 C ATOM 2024 CD PRO A 127 0.852 3.634 -8.406 1.00 0.32 C ATOM 0 HA PRO A 127 2.761 4.912 -5.974 1.00 0.29 H new ATOM 0 HB2 PRO A 127 3.625 2.533 -7.001 1.00 0.42 H new ATOM 0 HB3 PRO A 127 2.228 2.518 -5.943 1.00 0.42 H new ATOM 0 HG2 PRO A 127 2.355 2.162 -8.886 1.00 0.43 H new ATOM 0 HG3 PRO A 127 1.141 1.597 -7.755 1.00 0.43 H new ATOM 0 HD2 PRO A 127 1.031 3.967 -9.428 1.00 0.32 H new ATOM 0 HD3 PRO A 127 -0.204 3.374 -8.336 1.00 0.32 H new ATOM 2032 N LEU A 128 4.889 4.796 -7.527 1.00 0.22 N ATOM 2033 CA LEU A 128 5.980 5.255 -8.376 1.00 0.21 C ATOM 2034 C LEU A 128 6.318 4.177 -9.405 1.00 0.23 C ATOM 2035 O LEU A 128 6.282 2.988 -9.089 1.00 0.26 O ATOM 2036 CB LEU A 128 7.218 5.593 -7.538 1.00 0.23 C ATOM 2037 CG LEU A 128 8.259 6.471 -8.239 1.00 0.30 C ATOM 2038 CD1 LEU A 128 7.696 7.857 -8.520 1.00 0.38 C ATOM 2039 CD2 LEU A 128 9.523 6.568 -7.402 1.00 0.37 C ATOM 0 H LEU A 128 5.184 4.344 -6.662 1.00 0.22 H new ATOM 0 HA LEU A 128 5.663 6.161 -8.893 1.00 0.21 H new ATOM 0 HB2 LEU A 128 6.894 6.097 -6.628 1.00 0.23 H new ATOM 0 HB3 LEU A 128 7.697 4.662 -7.234 1.00 0.23 H new ATOM 0 HG LEU A 128 8.511 6.007 -9.193 1.00 0.30 H new ATOM 0 HD11 LEU A 128 8.453 8.463 -9.018 1.00 0.38 H new ATOM 0 HD12 LEU A 128 6.820 7.770 -9.163 1.00 0.38 H new ATOM 0 HD13 LEU A 128 7.412 8.332 -7.581 1.00 0.38 H new ATOM 0 HD21 LEU A 128 10.252 7.195 -7.915 1.00 0.37 H new ATOM 0 HD22 LEU A 128 9.285 7.007 -6.433 1.00 0.37 H new ATOM 0 HD23 LEU A 128 9.940 5.572 -7.257 1.00 0.37 H new ATOM 2051 N PRO A 129 6.646 4.577 -10.649 1.00 0.27 N ATOM 2052 CA PRO A 129 6.983 3.637 -11.734 1.00 0.33 C ATOM 2053 C PRO A 129 8.035 2.589 -11.342 1.00 0.33 C ATOM 2054 O PRO A 129 8.154 1.549 -11.997 1.00 0.67 O ATOM 2055 CB PRO A 129 7.529 4.554 -12.832 1.00 0.45 C ATOM 2056 CG PRO A 129 6.848 5.858 -12.599 1.00 0.47 C ATOM 2057 CD PRO A 129 6.699 5.982 -11.108 1.00 0.30 C ATOM 0 HA PRO A 129 6.115 3.046 -12.026 1.00 0.33 H new ATOM 0 HB2 PRO A 129 8.612 4.654 -12.764 1.00 0.45 H new ATOM 0 HB3 PRO A 129 7.307 4.161 -13.824 1.00 0.45 H new ATOM 0 HG2 PRO A 129 7.434 6.683 -13.003 1.00 0.47 H new ATOM 0 HG3 PRO A 129 5.877 5.885 -13.093 1.00 0.47 H new ATOM 0 HD2 PRO A 129 7.538 6.518 -10.664 1.00 0.30 H new ATOM 0 HD3 PRO A 129 5.794 6.527 -10.839 1.00 0.30 H new ATOM 2065 N VAL A 130 8.804 2.867 -10.290 1.00 0.37 N ATOM 2066 CA VAL A 130 9.829 1.938 -9.825 1.00 0.35 C ATOM 2067 C VAL A 130 9.194 0.678 -9.232 1.00 0.38 C ATOM 2068 O VAL A 130 8.619 0.707 -8.140 1.00 0.57 O ATOM 2069 CB VAL A 130 10.778 2.594 -8.787 1.00 0.40 C ATOM 2070 CG1 VAL A 130 11.562 3.729 -9.425 1.00 0.47 C ATOM 2071 CG2 VAL A 130 10.010 3.098 -7.573 1.00 0.44 C ATOM 0 H VAL A 130 8.736 3.727 -9.746 1.00 0.37 H new ATOM 0 HA VAL A 130 10.425 1.660 -10.694 1.00 0.35 H new ATOM 0 HB VAL A 130 11.478 1.830 -8.448 1.00 0.40 H new ATOM 0 HG11 VAL A 130 12.222 4.177 -8.683 1.00 0.47 H new ATOM 0 HG12 VAL A 130 12.156 3.341 -10.252 1.00 0.47 H new ATOM 0 HG13 VAL A 130 10.870 4.484 -9.799 1.00 0.47 H new ATOM 0 HG21 VAL A 130 10.704 3.552 -6.866 1.00 0.44 H new ATOM 0 HG22 VAL A 130 9.277 3.840 -7.889 1.00 0.44 H new ATOM 0 HG23 VAL A 130 9.498 2.263 -7.094 1.00 0.44 H new ATOM 2081 N SER A 131 9.284 -0.417 -9.974 1.00 0.34 N ATOM 2082 CA SER A 131 8.730 -1.693 -9.544 1.00 0.40 C ATOM 2083 C SER A 131 9.537 -2.854 -10.121 1.00 0.39 C ATOM 2084 O SER A 131 10.161 -2.721 -11.179 1.00 0.47 O ATOM 2085 CB SER A 131 7.268 -1.809 -9.984 1.00 0.50 C ATOM 2086 OG SER A 131 6.450 -0.861 -9.322 1.00 0.88 O ATOM 0 H SER A 131 9.740 -0.446 -10.886 1.00 0.34 H new ATOM 0 HA SER A 131 8.782 -1.739 -8.456 1.00 0.40 H new ATOM 0 HB2 SER A 131 7.198 -1.662 -11.062 1.00 0.50 H new ATOM 0 HB3 SER A 131 6.903 -2.815 -9.776 1.00 0.50 H new ATOM 0 HG SER A 131 5.514 -1.149 -9.366 1.00 0.88 H new ATOM 2092 N SER A 132 9.535 -3.982 -9.420 1.00 0.48 N ATOM 2093 CA SER A 132 10.255 -5.166 -9.866 1.00 0.54 C ATOM 2094 C SER A 132 9.557 -5.806 -11.065 1.00 0.49 C ATOM 2095 O SER A 132 8.510 -6.439 -10.919 1.00 0.96 O ATOM 2096 CB SER A 132 10.380 -6.172 -8.717 1.00 0.76 C ATOM 2097 OG SER A 132 9.308 -6.038 -7.792 1.00 1.03 O ATOM 0 H SER A 132 9.040 -4.100 -8.536 1.00 0.48 H new ATOM 0 HA SER A 132 11.255 -4.865 -10.178 1.00 0.54 H new ATOM 0 HB2 SER A 132 10.392 -7.185 -9.118 1.00 0.76 H new ATOM 0 HB3 SER A 132 11.329 -6.022 -8.201 1.00 0.76 H new ATOM 0 HG SER A 132 9.448 -6.649 -7.039 1.00 1.03 H new ATOM 2103 N ASP A 133 10.137 -5.625 -12.247 1.00 0.56 N ATOM 2104 CA ASP A 133 9.568 -6.185 -13.471 1.00 0.58 C ATOM 2105 C ASP A 133 9.840 -7.680 -13.563 1.00 0.63 C ATOM 2106 O ASP A 133 10.989 -8.093 -13.290 1.00 0.80 O ATOM 2107 CB ASP A 133 10.128 -5.481 -14.710 1.00 0.80 C ATOM 2108 CG ASP A 133 9.774 -6.215 -15.991 1.00 0.92 C ATOM 2109 OD1 ASP A 133 8.622 -6.091 -16.449 1.00 1.06 O ATOM 2110 OD2 ASP A 133 10.647 -6.920 -16.546 1.00 1.07 O ATOM 2111 OXT ASP A 133 8.914 -8.430 -13.929 1.00 0.75 O ATOM 0 H ASP A 133 10.998 -5.097 -12.385 1.00 0.56 H new ATOM 0 HA ASP A 133 8.491 -6.025 -13.434 1.00 0.58 H new ATOM 0 HB2 ASP A 133 9.739 -4.464 -14.756 1.00 0.80 H new ATOM 0 HB3 ASP A 133 11.212 -5.404 -14.624 1.00 0.80 H new TER 2116 ASP A 133 HETATM 2117 C1 IHP A 134 -16.558 3.953 3.823 1.00 3.43 C HETATM 2118 C2 IHP A 134 -16.460 3.625 2.325 1.00 3.47 C HETATM 2119 C3 IHP A 134 -17.088 4.770 1.492 1.00 3.73 C HETATM 2120 C4 IHP A 134 -16.317 6.065 1.771 1.00 3.79 C HETATM 2121 C5 IHP A 134 -16.386 6.419 3.263 1.00 3.74 C HETATM 2122 C6 IHP A 134 -15.807 5.269 4.104 1.00 3.46 C HETATM 2123 O11 IHP A 134 -15.968 2.905 4.605 1.00 3.86 O HETATM 2124 P1 IHP A 134 -16.826 2.114 5.729 1.00 4.66 P HETATM 2125 O21 IHP A 134 -18.071 1.491 5.212 1.00 4.95 O HETATM 2126 O31 IHP A 134 -17.146 3.189 6.878 1.00 4.87 O HETATM 2127 O41 IHP A 134 -15.845 1.024 6.382 1.00 5.52 O HETATM 2128 O12 IHP A 134 -15.115 3.441 1.923 1.00 3.50 O HETATM 2129 P2 IHP A 134 -14.636 2.032 1.304 1.00 4.17 P HETATM 2130 O22 IHP A 134 -13.673 1.386 2.227 1.00 4.60 O HETATM 2131 O32 IHP A 134 -15.959 1.141 1.117 1.00 4.76 O HETATM 2132 O42 IHP A 134 -13.995 2.365 -0.116 1.00 4.45 O HETATM 2133 O13 IHP A 134 -16.996 4.464 0.102 1.00 4.32 O HETATM 2134 P3 IHP A 134 -18.319 4.389 -0.813 1.00 5.22 P HETATM 2135 O23 IHP A 134 -19.231 5.493 -0.437 1.00 5.53 O HETATM 2136 O33 IHP A 134 -18.966 2.946 -0.526 1.00 5.46 O HETATM 2137 O43 IHP A 134 -17.878 4.494 -2.355 1.00 6.00 O HETATM 2138 O14 IHP A 134 -16.889 7.145 1.026 1.00 4.60 O HETATM 2139 P4 IHP A 134 -16.007 7.970 -0.041 1.00 5.38 P HETATM 2140 O24 IHP A 134 -15.906 7.211 -1.310 1.00 5.62 O HETATM 2141 O34 IHP A 134 -14.576 8.152 0.668 1.00 5.44 O HETATM 2142 O44 IHP A 134 -16.684 9.408 -0.251 1.00 6.32 O HETATM 2143 O15 IHP A 134 -15.642 7.606 3.514 1.00 4.36 O HETATM 2144 P5 IHP A 134 -16.340 8.917 4.135 1.00 5.27 P HETATM 2145 O25 IHP A 134 -17.446 9.362 3.259 1.00 5.62 O HETATM 2146 O35 IHP A 134 -16.881 8.505 5.598 1.00 5.32 O HETATM 2147 O45 IHP A 134 -15.207 10.043 4.277 1.00 6.16 O HETATM 2148 O16 IHP A 134 -15.890 5.614 5.488 1.00 4.02 O HETATM 2149 P6 IHP A 134 -14.573 5.742 6.401 1.00 4.66 P HETATM 2150 O26 IHP A 134 -14.907 6.115 7.803 1.00 5.55 O HETATM 2151 O36 IHP A 134 -13.700 6.875 5.664 1.00 4.84 O HETATM 2152 O46 IHP A 134 -13.789 4.348 6.339 1.00 4.67 O HETATM 0 H6 IHP A 134 -14.762 5.116 3.833 1.00 3.46 H new HETATM 0 H5 IHP A 134 -17.429 6.578 3.538 1.00 3.74 H new HETATM 0 H4 IHP A 134 -15.279 5.911 1.476 1.00 3.79 H new HETATM 0 H3 IHP A 134 -18.136 4.887 1.767 1.00 3.73 H new HETATM 0 H2 IHP A 134 -17.003 2.696 2.152 1.00 3.47 H new HETATM 0 H1 IHP A 134 -17.609 4.051 4.093 1.00 3.43 H new