USER MOD reduce.3.24.130724 H: found=0, std=0, add=1530, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1530 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 ASN : amide:sc= -6.18! C(o=-10!,f=-14!) USER MOD Set 1.2: B 70 SER OG : rot 164:sc= -4.2! USER MOD Set 2.1: A 70 SER OG : rot -14:sc= -4.38! USER MOD Set 2.2: B 51 ASN : amide:sc= -7.29! C(o=-13!,f=-15!) USER MOD Set 2.3: B 52 SER OG : rot 72:sc= -1.42! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= 0 (180deg=-0.302) USER MOD Single : A 2 THR OG1 : rot -170:sc= -0.528 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -18.9! C(o=-19!,f=-20!) USER MOD Single : A 12 LYS NZ :NH3+ 147:sc= -0.802 (180deg=-3.14!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.07! USER MOD Single : A 14 LYS NZ :NH3+ -153:sc= -0.0329 (180deg=-0.312) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 HIS : no HD1:sc= -4.58! C(o=-4.6!,f=-6.4!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -160:sc= -0.483 USER MOD Single : A 44 SER OG : rot 180:sc= 0.0302 USER MOD Single : A 45 LYS NZ :NH3+ -134:sc= -0.676! (180deg=-1.66!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -28:sc= -1.53! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.0814 K(o=-0.081,f=-1.7!) USER MOD Single : A 65 ASN : amide:sc= -1.18 X(o=-1.2,f=-1.5) USER MOD Single : A 67 GLN : amide:sc= -2.54! K(o=-2.5!,f=-0.19) USER MOD Single : A 68 THR OG1 : rot 90:sc= -0.153 USER MOD Single : A 79 SER OG : rot -158:sc= -3.27! USER MOD Single : A 80 TYR OH : rot 180:sc=-0.00159 USER MOD Single : A 86 LYS NZ :NH3+ -107:sc= -1.39 (180deg=-4.56!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -160:sc= -0.0173 (180deg=-0.522) USER MOD Single : B 2 THR OG1 : rot 40:sc= 0.996 USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 ASN : amide:sc= -8.01! C(o=-8!,f=-14!) USER MOD Single : B 12 LYS NZ :NH3+ 159:sc= -2.22 (180deg=-4.23!) USER MOD Single : B 13 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ -174:sc= -0.651 (180deg=-1.06) USER MOD Single : B 15 ASN : amide:sc= -1.72 K(o=-1.7,f=-2.2) USER MOD Single : B 19 HIS : no HD1:sc= -3.78 K(o=-3.8,f=-5.6!) USER MOD Single : B 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 29 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 THR OG1 : rot 180:sc= -0.367 USER MOD Single : B 44 SER OG : rot 180:sc= 0.00725 USER MOD Single : B 45 LYS NZ :NH3+ -144:sc= -1.94 (180deg=-2.55!) USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 GLN : amide:sc= -0.122 K(o=-0.12,f=-1.3) USER MOD Single : B 65 ASN : amide:sc= -1.18 K(o=-1.2,f=-1.9) USER MOD Single : B 67 GLN : amide:sc= -2.21! K(o=-2.2!,f=-0.9) USER MOD Single : B 68 THR OG1 : rot 88:sc= 0.115 USER MOD Single : B 79 SER OG : rot -139:sc= -0.603 USER MOD Single : B 80 TYR OH : rot 180:sc= -0.108 USER MOD Single : B 86 LYS NZ :NH3+ -179:sc= -2.48 (180deg=-2.53) USER MOD Single : B 89 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 24.894 -0.131 -15.006 1.00 4.01 N ATOM 2 CA MET A 1 23.826 -0.709 -15.870 1.00 3.21 C ATOM 3 C MET A 1 22.496 -0.016 -15.572 1.00 2.18 C ATOM 4 O MET A 1 21.778 0.380 -16.468 1.00 2.40 O ATOM 5 CB MET A 1 23.699 -2.208 -15.589 1.00 3.87 C ATOM 6 CG MET A 1 25.056 -2.884 -15.795 1.00 4.69 C ATOM 7 SD MET A 1 24.809 -4.530 -16.506 1.00 5.64 S ATOM 8 CE MET A 1 26.467 -4.726 -17.204 1.00 6.33 C ATOM 0 H1 MET A 1 25.826 -0.409 -15.374 1.00 4.01 H new ATOM 0 H2 MET A 1 24.817 0.906 -15.006 1.00 4.01 H new ATOM 0 H3 MET A 1 24.785 -0.487 -14.035 1.00 4.01 H new ATOM 0 HA MET A 1 24.084 -0.558 -16.918 1.00 3.21 H new ATOM 0 HB2 MET A 1 23.352 -2.369 -14.568 1.00 3.87 H new ATOM 0 HB3 MET A 1 22.956 -2.651 -16.252 1.00 3.87 H new ATOM 0 HG2 MET A 1 25.678 -2.280 -16.456 1.00 4.69 H new ATOM 0 HG3 MET A 1 25.583 -2.962 -14.844 1.00 4.69 H new ATOM 0 HE1 MET A 1 26.540 -5.693 -17.701 1.00 6.33 H new ATOM 0 HE2 MET A 1 26.654 -3.931 -17.926 1.00 6.33 H new ATOM 0 HE3 MET A 1 27.207 -4.672 -16.405 1.00 6.33 H new ATOM 20 N THR A 2 22.162 0.134 -14.317 1.00 1.58 N ATOM 21 CA THR A 2 20.879 0.804 -13.957 1.00 1.09 C ATOM 22 C THR A 2 21.145 2.281 -13.652 1.00 0.90 C ATOM 23 O THR A 2 20.799 3.150 -14.424 1.00 1.71 O ATOM 24 CB THR A 2 20.272 0.113 -12.734 1.00 1.87 C ATOM 25 OG1 THR A 2 21.289 -0.123 -11.771 1.00 2.53 O ATOM 26 CG2 THR A 2 19.651 -1.218 -13.161 1.00 2.32 C ATOM 0 H THR A 2 22.724 -0.179 -13.525 1.00 1.58 H new ATOM 0 HA THR A 2 20.179 0.734 -14.789 1.00 1.09 H new ATOM 0 HB THR A 2 19.502 0.750 -12.298 1.00 1.87 H new ATOM 0 HG1 THR A 2 20.940 -0.701 -11.061 1.00 2.53 H new ATOM 0 HG21 THR A 2 19.218 -1.713 -12.292 1.00 2.32 H new ATOM 0 HG22 THR A 2 18.871 -1.035 -13.901 1.00 2.32 H new ATOM 0 HG23 THR A 2 20.421 -1.856 -13.595 1.00 2.32 H new ATOM 34 N GLU A 3 21.764 2.577 -12.538 1.00 0.79 N ATOM 35 CA GLU A 3 22.058 4.005 -12.197 1.00 0.55 C ATOM 36 C GLU A 3 20.772 4.710 -11.766 1.00 0.53 C ATOM 37 O GLU A 3 20.787 5.581 -10.929 1.00 0.58 O ATOM 38 CB GLU A 3 22.639 4.716 -13.421 1.00 0.66 C ATOM 39 CG GLU A 3 23.800 5.606 -12.993 1.00 1.13 C ATOM 40 CD GLU A 3 24.376 6.318 -14.219 1.00 1.17 C ATOM 41 OE1 GLU A 3 23.807 7.320 -14.619 1.00 1.75 O ATOM 42 OE2 GLU A 3 25.376 5.848 -14.737 1.00 1.60 O ATOM 0 H GLU A 3 22.079 1.894 -11.849 1.00 0.79 H new ATOM 0 HA GLU A 3 22.779 4.035 -11.380 1.00 0.55 H new ATOM 0 HB2 GLU A 3 22.980 3.983 -14.152 1.00 0.66 H new ATOM 0 HB3 GLU A 3 21.868 5.315 -13.906 1.00 0.66 H new ATOM 0 HG2 GLU A 3 23.460 6.338 -12.260 1.00 1.13 H new ATOM 0 HG3 GLU A 3 24.573 5.007 -12.511 1.00 1.13 H new ATOM 49 N LYS A 4 19.666 4.327 -12.331 1.00 0.59 N ATOM 50 CA LYS A 4 18.367 4.954 -11.950 1.00 0.59 C ATOM 51 C LYS A 4 17.246 3.977 -12.267 1.00 0.59 C ATOM 52 O LYS A 4 16.286 4.293 -12.943 1.00 0.89 O ATOM 53 CB LYS A 4 18.140 6.258 -12.716 1.00 0.54 C ATOM 54 CG LYS A 4 18.932 7.409 -12.072 1.00 1.07 C ATOM 55 CD LYS A 4 18.484 8.753 -12.666 1.00 1.12 C ATOM 56 CE LYS A 4 19.071 8.938 -14.073 1.00 1.71 C ATOM 57 NZ LYS A 4 20.066 10.047 -14.052 1.00 2.24 N ATOM 0 H LYS A 4 19.602 3.602 -13.046 1.00 0.59 H new ATOM 0 HA LYS A 4 18.384 5.186 -10.885 1.00 0.59 H new ATOM 0 HB2 LYS A 4 18.447 6.134 -13.754 1.00 0.54 H new ATOM 0 HB3 LYS A 4 17.077 6.501 -12.725 1.00 0.54 H new ATOM 0 HG2 LYS A 4 18.777 7.409 -10.993 1.00 1.07 H new ATOM 0 HG3 LYS A 4 19.999 7.266 -12.240 1.00 1.07 H new ATOM 0 HD2 LYS A 4 17.396 8.793 -12.711 1.00 1.12 H new ATOM 0 HD3 LYS A 4 18.807 9.569 -12.020 1.00 1.12 H new ATOM 0 HE2 LYS A 4 19.546 8.015 -14.405 1.00 1.71 H new ATOM 0 HE3 LYS A 4 18.276 9.161 -14.784 1.00 1.71 H new ATOM 0 HZ1 LYS A 4 20.465 10.174 -15.004 1.00 2.24 H new ATOM 0 HZ2 LYS A 4 19.599 10.927 -13.752 1.00 2.24 H new ATOM 0 HZ3 LYS A 4 20.830 9.816 -13.385 1.00 2.24 H new ATOM 71 N LEU A 5 17.372 2.795 -11.763 1.00 0.58 N ATOM 72 CA LEU A 5 16.361 1.750 -11.977 1.00 0.62 C ATOM 73 C LEU A 5 16.631 0.746 -10.883 1.00 0.75 C ATOM 74 O LEU A 5 17.763 0.582 -10.483 1.00 1.54 O ATOM 75 CB LEU A 5 16.537 1.103 -13.350 1.00 0.73 C ATOM 76 CG LEU A 5 15.163 0.852 -13.979 1.00 1.02 C ATOM 77 CD1 LEU A 5 15.339 0.227 -15.363 1.00 1.39 C ATOM 78 CD2 LEU A 5 14.357 -0.101 -13.092 1.00 1.67 C ATOM 0 H LEU A 5 18.164 2.502 -11.191 1.00 0.58 H new ATOM 0 HA LEU A 5 15.344 2.141 -11.948 1.00 0.62 H new ATOM 0 HB2 LEU A 5 17.131 1.751 -13.995 1.00 0.73 H new ATOM 0 HB3 LEU A 5 17.081 0.164 -13.254 1.00 0.73 H new ATOM 0 HG LEU A 5 14.632 1.800 -14.071 1.00 1.02 H new ATOM 0 HD11 LEU A 5 14.360 0.049 -15.809 1.00 1.39 H new ATOM 0 HD12 LEU A 5 15.910 0.904 -15.998 1.00 1.39 H new ATOM 0 HD13 LEU A 5 15.873 -0.719 -15.270 1.00 1.39 H new ATOM 0 HD21 LEU A 5 13.380 -0.278 -13.542 1.00 1.67 H new ATOM 0 HD22 LEU A 5 14.889 -1.047 -12.997 1.00 1.67 H new ATOM 0 HD23 LEU A 5 14.227 0.343 -12.105 1.00 1.67 H new ATOM 90 N ASN A 6 15.660 0.029 -10.434 1.00 0.26 N ATOM 91 CA ASN A 6 15.965 -0.991 -9.413 1.00 0.26 C ATOM 92 C ASN A 6 14.682 -1.687 -8.966 1.00 0.24 C ATOM 93 O ASN A 6 14.002 -1.208 -8.082 1.00 0.26 O ATOM 94 CB ASN A 6 16.675 -0.354 -8.220 1.00 0.35 C ATOM 95 CG ASN A 6 16.456 -1.196 -6.972 1.00 0.93 C ATOM 96 OD1 ASN A 6 15.495 -1.011 -6.257 1.00 1.72 O ATOM 97 ND2 ASN A 6 17.326 -2.122 -6.675 1.00 1.39 N ATOM 0 H ASN A 6 14.684 0.099 -10.721 1.00 0.26 H new ATOM 0 HA ASN A 6 16.630 -1.736 -9.849 1.00 0.26 H new ATOM 0 HB2 ASN A 6 17.742 -0.266 -8.426 1.00 0.35 H new ATOM 0 HB3 ASN A 6 16.297 0.655 -8.058 1.00 0.35 H new ATOM 0 HD21 ASN A 6 17.198 -2.693 -5.839 1.00 1.39 H new ATOM 0 HD22 ASN A 6 18.134 -2.275 -7.279 1.00 1.39 H new ATOM 104 N GLU A 7 14.333 -2.799 -9.537 1.00 0.25 N ATOM 105 CA GLU A 7 13.085 -3.475 -9.093 1.00 0.28 C ATOM 106 C GLU A 7 13.439 -4.429 -7.961 1.00 0.28 C ATOM 107 O GLU A 7 14.146 -5.398 -8.149 1.00 0.30 O ATOM 108 CB GLU A 7 12.470 -4.244 -10.260 1.00 0.35 C ATOM 109 CG GLU A 7 13.534 -5.120 -10.923 1.00 0.44 C ATOM 110 CD GLU A 7 13.091 -6.583 -10.881 1.00 0.75 C ATOM 111 OE1 GLU A 7 12.202 -6.935 -11.638 1.00 1.12 O ATOM 112 OE2 GLU A 7 13.647 -7.328 -10.091 1.00 1.44 O ATOM 0 H GLU A 7 14.848 -3.267 -10.283 1.00 0.25 H new ATOM 0 HA GLU A 7 12.358 -2.741 -8.746 1.00 0.28 H new ATOM 0 HB2 GLU A 7 11.646 -4.863 -9.905 1.00 0.35 H new ATOM 0 HB3 GLU A 7 12.055 -3.547 -10.988 1.00 0.35 H new ATOM 0 HG2 GLU A 7 13.687 -4.805 -11.955 1.00 0.44 H new ATOM 0 HG3 GLU A 7 14.488 -5.003 -10.409 1.00 0.44 H new ATOM 119 N ILE A 8 12.979 -4.131 -6.775 1.00 0.28 N ATOM 120 CA ILE A 8 13.330 -5.005 -5.602 1.00 0.31 C ATOM 121 C ILE A 8 12.084 -5.500 -4.871 1.00 0.28 C ATOM 122 O ILE A 8 11.056 -4.863 -4.842 1.00 0.28 O ATOM 123 CB ILE A 8 14.195 -4.225 -4.607 1.00 0.35 C ATOM 124 CG1 ILE A 8 15.436 -3.656 -5.313 1.00 0.42 C ATOM 125 CG2 ILE A 8 14.628 -5.152 -3.467 1.00 0.56 C ATOM 126 CD1 ILE A 8 16.555 -4.704 -5.372 1.00 1.11 C ATOM 0 H ILE A 8 12.382 -3.332 -6.562 1.00 0.28 H new ATOM 0 HA ILE A 8 13.874 -5.865 -5.993 1.00 0.31 H new ATOM 0 HB ILE A 8 13.611 -3.398 -4.202 1.00 0.35 H new ATOM 0 HG12 ILE A 8 15.173 -3.340 -6.323 1.00 0.42 H new ATOM 0 HG13 ILE A 8 15.788 -2.771 -4.783 1.00 0.42 H new ATOM 0 HG21 ILE A 8 15.243 -4.596 -2.760 1.00 0.56 H new ATOM 0 HG22 ILE A 8 13.746 -5.537 -2.956 1.00 0.56 H new ATOM 0 HG23 ILE A 8 15.204 -5.984 -3.873 1.00 0.56 H new ATOM 0 HD11 ILE A 8 17.424 -4.280 -5.876 1.00 1.11 H new ATOM 0 HD12 ILE A 8 16.831 -4.999 -4.360 1.00 1.11 H new ATOM 0 HD13 ILE A 8 16.207 -5.578 -5.923 1.00 1.11 H new ATOM 138 N VAL A 9 12.186 -6.670 -4.308 1.00 0.28 N ATOM 139 CA VAL A 9 11.040 -7.282 -3.581 1.00 0.27 C ATOM 140 C VAL A 9 11.335 -7.354 -2.077 1.00 0.24 C ATOM 141 O VAL A 9 12.375 -7.819 -1.655 1.00 0.25 O ATOM 142 CB VAL A 9 10.831 -8.698 -4.109 1.00 0.30 C ATOM 143 CG1 VAL A 9 9.665 -9.357 -3.374 1.00 1.35 C ATOM 144 CG2 VAL A 9 10.534 -8.650 -5.609 1.00 1.27 C ATOM 0 H VAL A 9 13.032 -7.239 -4.321 1.00 0.28 H new ATOM 0 HA VAL A 9 10.150 -6.673 -3.738 1.00 0.27 H new ATOM 0 HB VAL A 9 11.736 -9.281 -3.940 1.00 0.30 H new ATOM 0 HG11 VAL A 9 9.520 -10.368 -3.755 1.00 1.35 H new ATOM 0 HG12 VAL A 9 9.884 -9.399 -2.307 1.00 1.35 H new ATOM 0 HG13 VAL A 9 8.758 -8.775 -3.535 1.00 1.35 H new ATOM 0 HG21 VAL A 9 10.385 -9.663 -5.983 1.00 1.27 H new ATOM 0 HG22 VAL A 9 9.632 -8.063 -5.783 1.00 1.27 H new ATOM 0 HG23 VAL A 9 11.373 -8.190 -6.131 1.00 1.27 H new ATOM 154 N VAL A 10 10.424 -6.888 -1.274 1.00 0.23 N ATOM 155 CA VAL A 10 10.641 -6.918 0.202 1.00 0.22 C ATOM 156 C VAL A 10 10.133 -8.264 0.724 1.00 0.20 C ATOM 157 O VAL A 10 9.410 -8.958 0.036 1.00 0.20 O ATOM 158 CB VAL A 10 9.868 -5.767 0.861 1.00 0.23 C ATOM 159 CG1 VAL A 10 8.428 -6.206 1.136 1.00 0.33 C ATOM 160 CG2 VAL A 10 10.539 -5.380 2.179 1.00 0.39 C ATOM 0 H VAL A 10 9.536 -6.486 -1.573 1.00 0.23 H new ATOM 0 HA VAL A 10 11.699 -6.800 0.438 1.00 0.22 H new ATOM 0 HB VAL A 10 9.866 -4.908 0.190 1.00 0.23 H new ATOM 0 HG11 VAL A 10 7.881 -5.387 1.604 1.00 0.33 H new ATOM 0 HG12 VAL A 10 7.944 -6.476 0.197 1.00 0.33 H new ATOM 0 HG13 VAL A 10 8.432 -7.068 1.803 1.00 0.33 H new ATOM 0 HG21 VAL A 10 9.986 -4.563 2.642 1.00 0.39 H new ATOM 0 HG22 VAL A 10 10.546 -6.239 2.850 1.00 0.39 H new ATOM 0 HG23 VAL A 10 11.563 -5.062 1.986 1.00 0.39 H new ATOM 170 N ARG A 11 10.523 -8.655 1.916 1.00 0.20 N ATOM 171 CA ARG A 11 10.075 -9.976 2.454 1.00 0.19 C ATOM 172 C ARG A 11 9.551 -9.813 3.876 1.00 0.22 C ATOM 173 O ARG A 11 9.760 -8.805 4.521 1.00 0.22 O ATOM 174 CB ARG A 11 11.245 -10.971 2.502 1.00 0.20 C ATOM 175 CG ARG A 11 12.416 -10.514 1.626 1.00 0.30 C ATOM 176 CD ARG A 11 13.227 -11.736 1.189 1.00 0.34 C ATOM 177 NE ARG A 11 14.368 -11.298 0.337 1.00 1.17 N ATOM 178 CZ ARG A 11 14.171 -10.998 -0.919 1.00 1.42 C ATOM 179 NH1 ARG A 11 12.972 -11.077 -1.428 1.00 1.51 N ATOM 180 NH2 ARG A 11 15.173 -10.619 -1.663 1.00 2.27 N ATOM 0 H ARG A 11 11.130 -8.117 2.535 1.00 0.20 H new ATOM 0 HA ARG A 11 9.292 -10.350 1.794 1.00 0.19 H new ATOM 0 HB2 ARG A 11 11.584 -11.084 3.532 1.00 0.20 H new ATOM 0 HB3 ARG A 11 10.903 -11.951 2.169 1.00 0.20 H new ATOM 0 HG2 ARG A 11 12.044 -9.978 0.752 1.00 0.30 H new ATOM 0 HG3 ARG A 11 13.050 -9.821 2.179 1.00 0.30 H new ATOM 0 HD2 ARG A 11 13.597 -12.271 2.063 1.00 0.34 H new ATOM 0 HD3 ARG A 11 12.592 -12.428 0.636 1.00 0.34 H new ATOM 0 HE ARG A 11 15.305 -11.232 0.735 1.00 1.17 H new ATOM 0 HH11 ARG A 11 12.189 -11.373 -0.845 1.00 1.51 H new ATOM 0 HH12 ARG A 11 12.818 -10.843 -2.409 1.00 1.51 H new ATOM 0 HH21 ARG A 11 16.110 -10.557 -1.264 1.00 2.27 H new ATOM 0 HH22 ARG A 11 15.020 -10.385 -2.644 1.00 2.27 H new ATOM 194 N LYS A 12 8.893 -10.823 4.375 1.00 0.27 N ATOM 195 CA LYS A 12 8.375 -10.765 5.761 1.00 0.32 C ATOM 196 C LYS A 12 9.466 -11.263 6.684 1.00 0.35 C ATOM 197 O LYS A 12 9.442 -11.037 7.877 1.00 0.43 O ATOM 198 CB LYS A 12 7.169 -11.681 5.900 1.00 0.35 C ATOM 199 CG LYS A 12 7.592 -13.121 5.603 1.00 0.38 C ATOM 200 CD LYS A 12 6.423 -13.889 4.982 1.00 1.05 C ATOM 201 CE LYS A 12 6.534 -15.368 5.352 1.00 1.03 C ATOM 202 NZ LYS A 12 6.375 -15.523 6.825 1.00 1.78 N ATOM 0 H LYS A 12 8.693 -11.689 3.875 1.00 0.27 H new ATOM 0 HA LYS A 12 8.083 -9.744 6.008 1.00 0.32 H new ATOM 0 HB2 LYS A 12 6.758 -11.611 6.907 1.00 0.35 H new ATOM 0 HB3 LYS A 12 6.382 -11.372 5.213 1.00 0.35 H new ATOM 0 HG2 LYS A 12 8.444 -13.126 4.923 1.00 0.38 H new ATOM 0 HG3 LYS A 12 7.914 -13.612 6.522 1.00 0.38 H new ATOM 0 HD2 LYS A 12 5.476 -13.483 5.339 1.00 1.05 H new ATOM 0 HD3 LYS A 12 6.431 -13.772 3.898 1.00 1.05 H new ATOM 0 HE2 LYS A 12 5.769 -15.943 4.830 1.00 1.03 H new ATOM 0 HE3 LYS A 12 7.500 -15.762 5.036 1.00 1.03 H new ATOM 0 HZ1 LYS A 12 5.905 -16.428 7.030 1.00 1.78 H new ATOM 0 HZ2 LYS A 12 7.311 -15.508 7.279 1.00 1.78 H new ATOM 0 HZ3 LYS A 12 5.798 -14.741 7.196 1.00 1.78 H new ATOM 216 N THR A 13 10.445 -11.925 6.136 1.00 0.34 N ATOM 217 CA THR A 13 11.545 -12.409 6.990 1.00 0.44 C ATOM 218 C THR A 13 12.387 -11.192 7.343 1.00 0.58 C ATOM 219 O THR A 13 12.454 -10.781 8.484 1.00 1.08 O ATOM 220 CB THR A 13 12.387 -13.457 6.244 1.00 0.48 C ATOM 221 OG1 THR A 13 13.609 -12.875 5.816 1.00 1.24 O ATOM 222 CG2 THR A 13 11.616 -13.977 5.027 1.00 1.01 C ATOM 0 H THR A 13 10.525 -12.147 5.144 1.00 0.34 H new ATOM 0 HA THR A 13 11.162 -12.891 7.889 1.00 0.44 H new ATOM 0 HB THR A 13 12.597 -14.287 6.918 1.00 0.48 H new ATOM 0 HG1 THR A 13 14.143 -13.547 5.343 1.00 1.24 H new ATOM 0 HG21 THR A 13 12.219 -14.719 4.504 1.00 1.01 H new ATOM 0 HG22 THR A 13 10.683 -14.434 5.356 1.00 1.01 H new ATOM 0 HG23 THR A 13 11.396 -13.148 4.354 1.00 1.01 H new ATOM 230 N LYS A 14 13.050 -10.618 6.377 1.00 0.35 N ATOM 231 CA LYS A 14 13.908 -9.443 6.645 1.00 0.43 C ATOM 232 C LYS A 14 13.082 -8.321 7.265 1.00 0.57 C ATOM 233 O LYS A 14 11.932 -8.115 6.940 1.00 1.34 O ATOM 234 CB LYS A 14 14.473 -8.979 5.302 1.00 0.39 C ATOM 235 CG LYS A 14 15.936 -9.406 5.172 1.00 0.60 C ATOM 236 CD LYS A 14 16.324 -9.461 3.692 1.00 0.86 C ATOM 237 CE LYS A 14 16.257 -10.907 3.202 1.00 1.06 C ATOM 238 NZ LYS A 14 17.389 -11.680 3.786 1.00 1.41 N ATOM 0 H LYS A 14 13.030 -10.921 5.403 1.00 0.35 H new ATOM 0 HA LYS A 14 14.707 -9.703 7.339 1.00 0.43 H new ATOM 0 HB2 LYS A 14 13.888 -9.404 4.486 1.00 0.39 H new ATOM 0 HB3 LYS A 14 14.394 -7.895 5.220 1.00 0.39 H new ATOM 0 HG2 LYS A 14 16.579 -8.703 5.701 1.00 0.60 H new ATOM 0 HG3 LYS A 14 16.083 -10.382 5.634 1.00 0.60 H new ATOM 0 HD2 LYS A 14 15.652 -8.835 3.105 1.00 0.86 H new ATOM 0 HD3 LYS A 14 17.330 -9.065 3.554 1.00 0.86 H new ATOM 0 HE2 LYS A 14 15.307 -11.357 3.491 1.00 1.06 H new ATOM 0 HE3 LYS A 14 16.305 -10.936 2.113 1.00 1.06 H new ATOM 0 HZ1 LYS A 14 17.632 -12.470 3.155 1.00 1.41 H new ATOM 0 HZ2 LYS A 14 18.215 -11.057 3.895 1.00 1.41 H new ATOM 0 HZ3 LYS A 14 17.111 -12.053 4.716 1.00 1.41 H new ATOM 252 N ASN A 15 13.677 -7.608 8.172 1.00 0.43 N ATOM 253 CA ASN A 15 12.961 -6.497 8.858 1.00 0.33 C ATOM 254 C ASN A 15 12.774 -5.317 7.905 1.00 0.24 C ATOM 255 O ASN A 15 13.223 -5.336 6.775 1.00 0.24 O ATOM 256 CB ASN A 15 13.777 -6.044 10.068 1.00 0.47 C ATOM 257 CG ASN A 15 13.382 -6.878 11.287 1.00 0.56 C ATOM 258 OD1 ASN A 15 14.117 -7.751 11.705 1.00 1.23 O ATOM 259 ND2 ASN A 15 12.243 -6.646 11.879 1.00 1.25 N ATOM 0 H ASN A 15 14.641 -7.747 8.474 1.00 0.43 H new ATOM 0 HA ASN A 15 11.981 -6.851 9.179 1.00 0.33 H new ATOM 0 HB2 ASN A 15 14.842 -6.157 9.866 1.00 0.47 H new ATOM 0 HB3 ASN A 15 13.601 -4.986 10.264 1.00 0.47 H new ATOM 0 HD21 ASN A 15 11.969 -7.197 12.692 1.00 1.25 H new ATOM 0 HD22 ASN A 15 11.626 -5.913 11.528 1.00 1.25 H new ATOM 266 N VAL A 16 12.125 -4.283 8.363 1.00 0.24 N ATOM 267 CA VAL A 16 11.918 -3.089 7.502 1.00 0.22 C ATOM 268 C VAL A 16 13.248 -2.353 7.357 1.00 0.23 C ATOM 269 O VAL A 16 13.542 -1.747 6.340 1.00 0.25 O ATOM 270 CB VAL A 16 10.901 -2.153 8.161 1.00 0.29 C ATOM 271 CG1 VAL A 16 9.695 -2.958 8.644 1.00 0.31 C ATOM 272 CG2 VAL A 16 11.555 -1.456 9.357 1.00 0.49 C ATOM 0 H VAL A 16 11.728 -4.215 9.300 1.00 0.24 H new ATOM 0 HA VAL A 16 11.548 -3.399 6.525 1.00 0.22 H new ATOM 0 HB VAL A 16 10.572 -1.410 7.435 1.00 0.29 H new ATOM 0 HG11 VAL A 16 8.974 -2.288 9.112 1.00 0.31 H new ATOM 0 HG12 VAL A 16 9.228 -3.458 7.796 1.00 0.31 H new ATOM 0 HG13 VAL A 16 10.022 -3.703 9.369 1.00 0.31 H new ATOM 0 HG21 VAL A 16 10.833 -0.789 9.828 1.00 0.49 H new ATOM 0 HG22 VAL A 16 11.883 -2.204 10.079 1.00 0.49 H new ATOM 0 HG23 VAL A 16 12.414 -0.879 9.016 1.00 0.49 H new ATOM 282 N GLU A 17 14.064 -2.411 8.370 1.00 0.27 N ATOM 283 CA GLU A 17 15.370 -1.722 8.292 1.00 0.33 C ATOM 284 C GLU A 17 16.295 -2.504 7.369 1.00 0.34 C ATOM 285 O GLU A 17 17.151 -1.937 6.725 1.00 0.37 O ATOM 286 CB GLU A 17 15.990 -1.608 9.691 1.00 0.39 C ATOM 287 CG GLU A 17 16.825 -2.853 10.011 1.00 0.86 C ATOM 288 CD GLU A 17 17.009 -2.964 11.526 1.00 1.03 C ATOM 289 OE1 GLU A 17 16.009 -3.050 12.219 1.00 1.56 O ATOM 290 OE2 GLU A 17 18.147 -2.963 11.966 1.00 1.41 O ATOM 0 H GLU A 17 13.880 -2.905 9.243 1.00 0.27 H new ATOM 0 HA GLU A 17 15.228 -0.717 7.894 1.00 0.33 H new ATOM 0 HB2 GLU A 17 16.617 -0.718 9.746 1.00 0.39 H new ATOM 0 HB3 GLU A 17 15.203 -1.490 10.436 1.00 0.39 H new ATOM 0 HG2 GLU A 17 16.330 -3.745 9.627 1.00 0.86 H new ATOM 0 HG3 GLU A 17 17.796 -2.790 9.519 1.00 0.86 H new ATOM 297 N ASP A 18 16.158 -3.802 7.291 1.00 0.35 N ATOM 298 CA ASP A 18 17.059 -4.579 6.415 1.00 0.38 C ATOM 299 C ASP A 18 16.926 -4.133 4.970 1.00 0.35 C ATOM 300 O ASP A 18 17.884 -4.188 4.225 1.00 0.34 O ATOM 301 CB ASP A 18 16.684 -6.050 6.504 1.00 0.46 C ATOM 302 CG ASP A 18 17.903 -6.864 6.942 1.00 0.66 C ATOM 303 OD1 ASP A 18 18.980 -6.602 6.431 1.00 1.27 O ATOM 304 OD2 ASP A 18 17.738 -7.738 7.776 1.00 1.38 O ATOM 0 H ASP A 18 15.461 -4.349 7.797 1.00 0.35 H new ATOM 0 HA ASP A 18 18.086 -4.418 6.742 1.00 0.38 H new ATOM 0 HB2 ASP A 18 15.869 -6.186 7.215 1.00 0.46 H new ATOM 0 HB3 ASP A 18 16.326 -6.404 5.537 1.00 0.46 H new ATOM 309 N HIS A 19 15.776 -3.673 4.544 1.00 0.34 N ATOM 310 CA HIS A 19 15.648 -3.220 3.134 1.00 0.33 C ATOM 311 C HIS A 19 15.865 -1.713 3.096 1.00 0.28 C ATOM 312 O HIS A 19 16.220 -1.158 2.078 1.00 0.27 O ATOM 313 CB HIS A 19 14.246 -3.540 2.618 1.00 0.36 C ATOM 314 CG HIS A 19 14.090 -5.028 2.476 1.00 0.53 C ATOM 315 ND1 HIS A 19 13.206 -5.754 3.260 1.00 1.22 N ATOM 316 CD2 HIS A 19 14.685 -5.939 1.638 1.00 1.43 C ATOM 317 CE1 HIS A 19 13.292 -7.041 2.882 1.00 1.27 C ATOM 318 NE2 HIS A 19 14.178 -7.207 1.899 1.00 1.40 N ATOM 0 H HIS A 19 14.930 -3.594 5.109 1.00 0.34 H new ATOM 0 HA HIS A 19 16.383 -3.727 2.509 1.00 0.33 H new ATOM 0 HB2 HIS A 19 13.496 -3.149 3.306 1.00 0.36 H new ATOM 0 HB3 HIS A 19 14.081 -3.053 1.657 1.00 0.36 H new ATOM 0 HD2 HIS A 19 15.431 -5.707 0.892 1.00 1.43 H new ATOM 0 HE1 HIS A 19 12.715 -7.842 3.320 1.00 1.27 H new ATOM 0 HE2 HIS A 19 14.430 -8.080 1.436 1.00 1.40 H new ATOM 327 N VAL A 20 15.718 -1.047 4.215 1.00 0.26 N ATOM 328 CA VAL A 20 15.995 0.412 4.222 1.00 0.24 C ATOM 329 C VAL A 20 17.516 0.523 4.153 1.00 0.23 C ATOM 330 O VAL A 20 18.080 1.391 3.516 1.00 0.22 O ATOM 331 CB VAL A 20 15.421 1.057 5.499 1.00 0.25 C ATOM 332 CG1 VAL A 20 16.517 1.317 6.537 1.00 0.29 C ATOM 333 CG2 VAL A 20 14.757 2.383 5.137 1.00 0.29 C ATOM 0 H VAL A 20 15.423 -1.446 5.106 1.00 0.26 H new ATOM 0 HA VAL A 20 15.527 0.937 3.389 1.00 0.24 H new ATOM 0 HB VAL A 20 14.695 0.368 5.930 1.00 0.25 H new ATOM 0 HG11 VAL A 20 16.077 1.772 7.424 1.00 0.29 H new ATOM 0 HG12 VAL A 20 16.991 0.374 6.810 1.00 0.29 H new ATOM 0 HG13 VAL A 20 17.264 1.990 6.116 1.00 0.29 H new ATOM 0 HG21 VAL A 20 14.349 2.843 6.037 1.00 0.29 H new ATOM 0 HG22 VAL A 20 15.495 3.050 4.691 1.00 0.29 H new ATOM 0 HG23 VAL A 20 13.952 2.204 4.424 1.00 0.29 H new ATOM 343 N LEU A 21 18.162 -0.405 4.800 1.00 0.25 N ATOM 344 CA LEU A 21 19.647 -0.460 4.799 1.00 0.27 C ATOM 345 C LEU A 21 20.123 -0.845 3.396 1.00 0.27 C ATOM 346 O LEU A 21 20.942 -0.176 2.789 1.00 0.28 O ATOM 347 CB LEU A 21 20.107 -1.541 5.783 1.00 0.32 C ATOM 348 CG LEU A 21 19.988 -1.041 7.230 1.00 0.34 C ATOM 349 CD1 LEU A 21 20.298 -2.192 8.189 1.00 0.41 C ATOM 350 CD2 LEU A 21 20.977 0.105 7.476 1.00 0.34 C ATOM 0 H LEU A 21 17.712 -1.143 5.341 1.00 0.25 H new ATOM 0 HA LEU A 21 20.056 0.509 5.087 1.00 0.27 H new ATOM 0 HB2 LEU A 21 19.504 -2.440 5.652 1.00 0.32 H new ATOM 0 HB3 LEU A 21 21.140 -1.817 5.572 1.00 0.32 H new ATOM 0 HG LEU A 21 18.974 -0.679 7.400 1.00 0.34 H new ATOM 0 HD11 LEU A 21 20.215 -1.841 9.218 1.00 0.41 H new ATOM 0 HD12 LEU A 21 19.590 -3.004 8.024 1.00 0.41 H new ATOM 0 HD13 LEU A 21 21.311 -2.552 8.010 1.00 0.41 H new ATOM 0 HD21 LEU A 21 20.884 0.452 8.505 1.00 0.34 H new ATOM 0 HD22 LEU A 21 21.994 -0.248 7.303 1.00 0.34 H new ATOM 0 HD23 LEU A 21 20.758 0.927 6.795 1.00 0.34 H new ATOM 362 N ASP A 22 19.600 -1.918 2.872 1.00 0.28 N ATOM 363 CA ASP A 22 20.007 -2.359 1.509 1.00 0.31 C ATOM 364 C ASP A 22 19.533 -1.341 0.469 1.00 0.29 C ATOM 365 O ASP A 22 20.115 -1.209 -0.583 1.00 0.31 O ATOM 366 CB ASP A 22 19.381 -3.723 1.208 1.00 0.36 C ATOM 367 CG ASP A 22 20.159 -4.407 0.081 1.00 0.44 C ATOM 368 OD1 ASP A 22 20.661 -3.700 -0.779 1.00 1.01 O ATOM 369 OD2 ASP A 22 20.239 -5.623 0.098 1.00 1.22 O ATOM 0 H ASP A 22 18.907 -2.510 3.330 1.00 0.28 H new ATOM 0 HA ASP A 22 21.093 -2.436 1.466 1.00 0.31 H new ATOM 0 HB2 ASP A 22 19.394 -4.346 2.103 1.00 0.36 H new ATOM 0 HB3 ASP A 22 18.337 -3.600 0.920 1.00 0.36 H new ATOM 374 N VAL A 23 18.487 -0.620 0.758 1.00 0.27 N ATOM 375 CA VAL A 23 17.990 0.396 -0.218 1.00 0.27 C ATOM 376 C VAL A 23 18.947 1.589 -0.218 1.00 0.26 C ATOM 377 O VAL A 23 19.451 2.007 -1.250 1.00 0.26 O ATOM 378 CB VAL A 23 16.591 0.868 0.179 1.00 0.28 C ATOM 379 CG1 VAL A 23 16.286 2.195 -0.515 1.00 0.31 C ATOM 380 CG2 VAL A 23 15.559 -0.178 -0.249 1.00 0.32 C ATOM 0 H VAL A 23 17.954 -0.688 1.625 1.00 0.27 H new ATOM 0 HA VAL A 23 17.943 -0.049 -1.212 1.00 0.27 H new ATOM 0 HB VAL A 23 16.546 1.003 1.260 1.00 0.28 H new ATOM 0 HG11 VAL A 23 15.289 2.532 -0.233 1.00 0.31 H new ATOM 0 HG12 VAL A 23 17.021 2.941 -0.212 1.00 0.31 H new ATOM 0 HG13 VAL A 23 16.331 2.059 -1.596 1.00 0.31 H new ATOM 0 HG21 VAL A 23 14.561 0.158 0.034 1.00 0.32 H new ATOM 0 HG22 VAL A 23 15.604 -0.312 -1.330 1.00 0.32 H new ATOM 0 HG23 VAL A 23 15.776 -1.126 0.244 1.00 0.32 H new ATOM 390 N ILE A 24 19.208 2.134 0.937 1.00 0.25 N ATOM 391 CA ILE A 24 20.136 3.289 1.014 1.00 0.26 C ATOM 392 C ILE A 24 21.457 2.891 0.371 1.00 0.26 C ATOM 393 O ILE A 24 22.202 3.724 -0.107 1.00 0.28 O ATOM 394 CB ILE A 24 20.343 3.688 2.484 1.00 0.30 C ATOM 395 CG1 ILE A 24 20.400 5.213 2.588 1.00 0.57 C ATOM 396 CG2 ILE A 24 21.645 3.093 3.035 1.00 0.45 C ATOM 397 CD1 ILE A 24 20.645 5.617 4.043 1.00 0.58 C ATOM 0 H ILE A 24 18.818 1.828 1.828 1.00 0.25 H new ATOM 0 HA ILE A 24 19.722 4.147 0.484 1.00 0.26 H new ATOM 0 HB ILE A 24 19.510 3.301 3.071 1.00 0.30 H new ATOM 0 HG12 ILE A 24 21.196 5.602 1.953 1.00 0.57 H new ATOM 0 HG13 ILE A 24 19.466 5.648 2.231 1.00 0.57 H new ATOM 0 HG21 ILE A 24 21.769 3.390 4.077 1.00 0.45 H new ATOM 0 HG22 ILE A 24 21.604 2.006 2.970 1.00 0.45 H new ATOM 0 HG23 ILE A 24 22.489 3.460 2.451 1.00 0.45 H new ATOM 0 HD11 ILE A 24 20.686 6.704 4.117 1.00 0.58 H new ATOM 0 HD12 ILE A 24 19.834 5.241 4.667 1.00 0.58 H new ATOM 0 HD13 ILE A 24 21.590 5.195 4.384 1.00 0.58 H new ATOM 409 N VAL A 25 21.752 1.617 0.336 1.00 0.26 N ATOM 410 CA VAL A 25 23.024 1.183 -0.302 1.00 0.29 C ATOM 411 C VAL A 25 22.938 1.408 -1.818 1.00 0.29 C ATOM 412 O VAL A 25 23.891 1.835 -2.438 1.00 0.31 O ATOM 413 CB VAL A 25 23.274 -0.298 -0.013 1.00 0.31 C ATOM 414 CG1 VAL A 25 24.390 -0.816 -0.922 1.00 0.41 C ATOM 415 CG2 VAL A 25 23.693 -0.467 1.449 1.00 0.36 C ATOM 0 H VAL A 25 21.173 0.869 0.717 1.00 0.26 H new ATOM 0 HA VAL A 25 23.849 1.768 0.106 1.00 0.29 H new ATOM 0 HB VAL A 25 22.361 -0.863 -0.200 1.00 0.31 H new ATOM 0 HG11 VAL A 25 24.567 -1.871 -0.715 1.00 0.41 H new ATOM 0 HG12 VAL A 25 24.096 -0.695 -1.965 1.00 0.41 H new ATOM 0 HG13 VAL A 25 25.303 -0.251 -0.735 1.00 0.41 H new ATOM 0 HG21 VAL A 25 23.872 -1.522 1.657 1.00 0.36 H new ATOM 0 HG22 VAL A 25 24.606 0.099 1.634 1.00 0.36 H new ATOM 0 HG23 VAL A 25 22.900 -0.098 2.100 1.00 0.36 H new ATOM 425 N LEU A 26 21.815 1.122 -2.435 1.00 0.29 N ATOM 426 CA LEU A 26 21.704 1.328 -3.910 1.00 0.32 C ATOM 427 C LEU A 26 21.806 2.820 -4.229 1.00 0.32 C ATOM 428 O LEU A 26 22.414 3.221 -5.206 1.00 0.35 O ATOM 429 CB LEU A 26 20.350 0.804 -4.394 1.00 0.36 C ATOM 430 CG LEU A 26 20.007 -0.504 -3.683 1.00 0.65 C ATOM 431 CD1 LEU A 26 18.803 -1.154 -4.365 1.00 0.49 C ATOM 432 CD2 LEU A 26 21.202 -1.460 -3.752 1.00 1.19 C ATOM 0 H LEU A 26 20.977 0.757 -1.982 1.00 0.29 H new ATOM 0 HA LEU A 26 22.510 0.791 -4.411 1.00 0.32 H new ATOM 0 HB2 LEU A 26 19.575 1.546 -4.201 1.00 0.36 H new ATOM 0 HB3 LEU A 26 20.378 0.644 -5.472 1.00 0.36 H new ATOM 0 HG LEU A 26 19.770 -0.293 -2.640 1.00 0.65 H new ATOM 0 HD11 LEU A 26 18.558 -2.087 -3.858 1.00 0.49 H new ATOM 0 HD12 LEU A 26 17.949 -0.479 -4.316 1.00 0.49 H new ATOM 0 HD13 LEU A 26 19.043 -1.360 -5.408 1.00 0.49 H new ATOM 0 HD21 LEU A 26 20.953 -2.391 -3.244 1.00 1.19 H new ATOM 0 HD22 LEU A 26 21.441 -1.669 -4.795 1.00 1.19 H new ATOM 0 HD23 LEU A 26 22.063 -1.001 -3.267 1.00 1.19 H new ATOM 444 N PHE A 27 21.233 3.652 -3.406 1.00 0.31 N ATOM 445 CA PHE A 27 21.336 5.116 -3.668 1.00 0.33 C ATOM 446 C PHE A 27 22.814 5.478 -3.608 1.00 0.34 C ATOM 447 O PHE A 27 23.285 6.391 -4.255 1.00 0.37 O ATOM 448 CB PHE A 27 20.570 5.893 -2.601 1.00 0.35 C ATOM 449 CG PHE A 27 21.363 7.114 -2.197 1.00 0.44 C ATOM 450 CD1 PHE A 27 21.413 8.227 -3.045 1.00 1.19 C ATOM 451 CD2 PHE A 27 22.047 7.133 -0.975 1.00 1.38 C ATOM 452 CE1 PHE A 27 22.145 9.360 -2.670 1.00 1.22 C ATOM 453 CE2 PHE A 27 22.780 8.266 -0.602 1.00 1.46 C ATOM 454 CZ PHE A 27 22.830 9.379 -1.449 1.00 0.71 C ATOM 0 H PHE A 27 20.705 3.388 -2.574 1.00 0.31 H new ATOM 0 HA PHE A 27 20.911 5.366 -4.640 1.00 0.33 H new ATOM 0 HB2 PHE A 27 19.594 6.191 -2.984 1.00 0.35 H new ATOM 0 HB3 PHE A 27 20.392 5.259 -1.733 1.00 0.35 H new ATOM 0 HD1 PHE A 27 20.887 8.212 -3.988 1.00 1.19 H new ATOM 0 HD2 PHE A 27 22.009 6.274 -0.321 1.00 1.38 H new ATOM 0 HE1 PHE A 27 22.181 10.220 -3.323 1.00 1.22 H new ATOM 0 HE2 PHE A 27 23.307 8.281 0.340 1.00 1.46 H new ATOM 0 HZ PHE A 27 23.397 10.252 -1.161 1.00 0.71 H new ATOM 464 N ASN A 28 23.538 4.728 -2.833 1.00 0.33 N ATOM 465 CA ASN A 28 24.999 4.966 -2.707 1.00 0.36 C ATOM 466 C ASN A 28 25.629 4.903 -4.100 1.00 0.38 C ATOM 467 O ASN A 28 26.632 5.536 -4.366 1.00 0.41 O ATOM 468 CB ASN A 28 25.622 3.899 -1.811 1.00 0.35 C ATOM 469 CG ASN A 28 26.757 4.518 -0.992 1.00 0.39 C ATOM 470 OD1 ASN A 28 26.605 4.764 0.188 1.00 1.15 O ATOM 471 ND2 ASN A 28 27.895 4.783 -1.572 1.00 0.98 N ATOM 0 H ASN A 28 23.178 3.953 -2.276 1.00 0.33 H new ATOM 0 HA ASN A 28 25.177 5.945 -2.263 1.00 0.36 H new ATOM 0 HB2 ASN A 28 24.866 3.481 -1.146 1.00 0.35 H new ATOM 0 HB3 ASN A 28 26.003 3.077 -2.417 1.00 0.35 H new ATOM 0 HD21 ASN A 28 28.657 5.197 -1.035 1.00 0.98 H new ATOM 0 HD22 ASN A 28 28.023 4.577 -2.563 1.00 0.98 H new ATOM 478 N GLN A 29 25.044 4.149 -4.994 1.00 0.38 N ATOM 479 CA GLN A 29 25.605 4.052 -6.371 1.00 0.40 C ATOM 480 C GLN A 29 24.971 5.133 -7.251 1.00 0.43 C ATOM 481 O GLN A 29 25.490 5.480 -8.294 1.00 0.51 O ATOM 482 CB GLN A 29 25.299 2.670 -6.950 1.00 0.40 C ATOM 483 CG GLN A 29 25.712 1.594 -5.944 1.00 0.38 C ATOM 484 CD GLN A 29 25.363 0.211 -6.497 1.00 0.40 C ATOM 485 OE1 GLN A 29 25.476 -0.027 -7.684 1.00 1.17 O ATOM 486 NE2 GLN A 29 24.941 -0.717 -5.682 1.00 1.10 N ATOM 0 H GLN A 29 24.202 3.597 -4.829 1.00 0.38 H new ATOM 0 HA GLN A 29 26.685 4.197 -6.339 1.00 0.40 H new ATOM 0 HB2 GLN A 29 24.236 2.585 -7.174 1.00 0.40 H new ATOM 0 HB3 GLN A 29 25.835 2.530 -7.889 1.00 0.40 H new ATOM 0 HG2 GLN A 29 26.782 1.658 -5.747 1.00 0.38 H new ATOM 0 HG3 GLN A 29 25.203 1.756 -4.994 1.00 0.38 H new ATOM 0 HE21 GLN A 29 24.846 -0.517 -4.686 1.00 1.10 H new ATOM 0 HE22 GLN A 29 24.706 -1.642 -6.041 1.00 1.10 H new ATOM 495 N GLY A 30 23.855 5.666 -6.823 1.00 0.39 N ATOM 496 CA GLY A 30 23.168 6.736 -7.610 1.00 0.42 C ATOM 497 C GLY A 30 21.818 6.222 -8.115 1.00 0.37 C ATOM 498 O GLY A 30 21.225 6.793 -9.006 1.00 0.39 O ATOM 0 H GLY A 30 23.386 5.404 -5.956 1.00 0.39 H new ATOM 0 HA2 GLY A 30 23.022 7.620 -6.989 1.00 0.42 H new ATOM 0 HA3 GLY A 30 23.791 7.038 -8.452 1.00 0.42 H new ATOM 502 N ILE A 31 21.324 5.160 -7.542 1.00 0.33 N ATOM 503 CA ILE A 31 20.008 4.612 -7.986 1.00 0.31 C ATOM 504 C ILE A 31 18.902 5.518 -7.472 1.00 0.28 C ATOM 505 O ILE A 31 18.691 5.640 -6.281 1.00 0.30 O ATOM 506 CB ILE A 31 19.855 3.208 -7.420 1.00 0.30 C ATOM 507 CG1 ILE A 31 20.918 2.303 -8.070 1.00 0.35 C ATOM 508 CG2 ILE A 31 18.442 2.689 -7.696 1.00 0.31 C ATOM 509 CD1 ILE A 31 20.405 1.714 -9.390 1.00 0.35 C ATOM 0 H ILE A 31 21.774 4.646 -6.784 1.00 0.33 H new ATOM 0 HA ILE A 31 19.951 4.568 -9.074 1.00 0.31 H new ATOM 0 HB ILE A 31 20.002 3.212 -6.340 1.00 0.30 H new ATOM 0 HG12 ILE A 31 21.827 2.876 -8.252 1.00 0.35 H new ATOM 0 HG13 ILE A 31 21.182 1.496 -7.386 1.00 0.35 H new ATOM 0 HG21 ILE A 31 18.338 1.683 -7.289 1.00 0.31 H new ATOM 0 HG22 ILE A 31 17.714 3.349 -7.225 1.00 0.31 H new ATOM 0 HG23 ILE A 31 18.267 2.665 -8.772 1.00 0.31 H new ATOM 0 HD11 ILE A 31 21.175 1.079 -9.829 1.00 0.35 H new ATOM 0 HD12 ILE A 31 19.510 1.121 -9.201 1.00 0.35 H new ATOM 0 HD13 ILE A 31 20.165 2.523 -10.080 1.00 0.35 H new ATOM 521 N ASP A 32 18.201 6.175 -8.363 1.00 0.26 N ATOM 522 CA ASP A 32 17.126 7.089 -7.921 1.00 0.27 C ATOM 523 C ASP A 32 15.774 6.383 -7.890 1.00 0.28 C ATOM 524 O ASP A 32 14.930 6.706 -7.076 1.00 0.45 O ATOM 525 CB ASP A 32 17.055 8.286 -8.871 1.00 0.30 C ATOM 526 CG ASP A 32 18.420 8.972 -8.929 1.00 0.72 C ATOM 527 OD1 ASP A 32 19.332 8.489 -8.280 1.00 1.22 O ATOM 528 OD2 ASP A 32 18.530 9.969 -9.624 1.00 1.55 O ATOM 0 H ASP A 32 18.333 6.112 -9.372 1.00 0.26 H new ATOM 0 HA ASP A 32 17.357 7.424 -6.910 1.00 0.27 H new ATOM 0 HB2 ASP A 32 16.759 7.956 -9.867 1.00 0.30 H new ATOM 0 HB3 ASP A 32 16.296 8.990 -8.530 1.00 0.30 H new ATOM 533 N GLU A 33 15.538 5.470 -8.801 1.00 0.26 N ATOM 534 CA GLU A 33 14.213 4.795 -8.857 1.00 0.27 C ATOM 535 C GLU A 33 14.273 3.403 -8.240 1.00 0.23 C ATOM 536 O GLU A 33 15.195 2.648 -8.463 1.00 0.23 O ATOM 537 CB GLU A 33 13.756 4.697 -10.308 1.00 0.29 C ATOM 538 CG GLU A 33 14.170 5.970 -11.050 1.00 0.48 C ATOM 539 CD GLU A 33 13.104 6.332 -12.085 1.00 0.71 C ATOM 540 OE1 GLU A 33 12.486 5.423 -12.614 1.00 1.58 O ATOM 541 OE2 GLU A 33 12.925 7.514 -12.333 1.00 1.15 O ATOM 0 H GLU A 33 16.209 5.166 -9.507 1.00 0.26 H new ATOM 0 HA GLU A 33 13.501 5.387 -8.282 1.00 0.27 H new ATOM 0 HB2 GLU A 33 14.200 3.823 -10.784 1.00 0.29 H new ATOM 0 HB3 GLU A 33 12.674 4.570 -10.354 1.00 0.29 H new ATOM 0 HG2 GLU A 33 14.297 6.790 -10.343 1.00 0.48 H new ATOM 0 HG3 GLU A 33 15.132 5.820 -11.541 1.00 0.48 H new ATOM 548 N VAL A 34 13.293 3.077 -7.447 1.00 0.21 N ATOM 549 CA VAL A 34 13.284 1.742 -6.785 1.00 0.20 C ATOM 550 C VAL A 34 11.845 1.270 -6.561 1.00 0.19 C ATOM 551 O VAL A 34 10.954 2.054 -6.278 1.00 0.20 O ATOM 552 CB VAL A 34 14.027 1.851 -5.451 1.00 0.21 C ATOM 553 CG1 VAL A 34 13.445 2.995 -4.633 1.00 0.54 C ATOM 554 CG2 VAL A 34 13.903 0.543 -4.662 1.00 0.43 C ATOM 0 H VAL A 34 12.497 3.676 -7.228 1.00 0.21 H new ATOM 0 HA VAL A 34 13.782 1.011 -7.422 1.00 0.20 H new ATOM 0 HB VAL A 34 15.081 2.043 -5.652 1.00 0.21 H new ATOM 0 HG11 VAL A 34 13.976 3.070 -3.684 1.00 0.54 H new ATOM 0 HG12 VAL A 34 13.554 3.929 -5.185 1.00 0.54 H new ATOM 0 HG13 VAL A 34 12.388 2.806 -4.444 1.00 0.54 H new ATOM 0 HG21 VAL A 34 14.437 0.637 -3.716 1.00 0.43 H new ATOM 0 HG22 VAL A 34 12.851 0.335 -4.466 1.00 0.43 H new ATOM 0 HG23 VAL A 34 14.333 -0.274 -5.242 1.00 0.43 H new ATOM 564 N ILE A 35 11.624 -0.013 -6.739 1.00 0.19 N ATOM 565 CA ILE A 35 10.252 -0.592 -6.594 1.00 0.19 C ATOM 566 C ILE A 35 10.238 -1.693 -5.536 1.00 0.19 C ATOM 567 O ILE A 35 10.983 -2.647 -5.617 1.00 0.20 O ATOM 568 CB ILE A 35 9.842 -1.183 -7.938 1.00 0.19 C ATOM 569 CG1 ILE A 35 10.455 -0.323 -9.044 1.00 0.22 C ATOM 570 CG2 ILE A 35 8.314 -1.200 -8.059 1.00 0.19 C ATOM 571 CD1 ILE A 35 9.601 -0.417 -10.314 1.00 0.25 C ATOM 0 H ILE A 35 12.347 -0.690 -6.982 1.00 0.19 H new ATOM 0 HA ILE A 35 9.559 0.191 -6.284 1.00 0.19 H new ATOM 0 HB ILE A 35 10.199 -2.209 -8.025 1.00 0.19 H new ATOM 0 HG12 ILE A 35 10.520 0.714 -8.716 1.00 0.22 H new ATOM 0 HG13 ILE A 35 11.472 -0.656 -9.254 1.00 0.22 H new ATOM 0 HG21 ILE A 35 8.030 -1.624 -9.022 1.00 0.19 H new ATOM 0 HG22 ILE A 35 7.892 -1.806 -7.257 1.00 0.19 H new ATOM 0 HG23 ILE A 35 7.932 -0.182 -7.984 1.00 0.19 H new ATOM 0 HD11 ILE A 35 10.044 0.198 -11.097 1.00 0.25 H new ATOM 0 HD12 ILE A 35 9.558 -1.454 -10.648 1.00 0.25 H new ATOM 0 HD13 ILE A 35 8.592 -0.062 -10.101 1.00 0.25 H new ATOM 583 N LEU A 36 9.376 -1.569 -4.553 1.00 0.21 N ATOM 584 CA LEU A 36 9.289 -2.615 -3.492 1.00 0.23 C ATOM 585 C LEU A 36 8.018 -3.449 -3.680 1.00 0.23 C ATOM 586 O LEU A 36 6.919 -2.924 -3.663 1.00 0.24 O ATOM 587 CB LEU A 36 9.264 -1.967 -2.105 1.00 0.24 C ATOM 588 CG LEU A 36 10.633 -2.157 -1.442 1.00 0.30 C ATOM 589 CD1 LEU A 36 11.704 -1.439 -2.264 1.00 0.40 C ATOM 590 CD2 LEU A 36 10.608 -1.572 -0.033 1.00 0.30 C ATOM 0 H LEU A 36 8.730 -0.787 -4.443 1.00 0.21 H new ATOM 0 HA LEU A 36 10.165 -3.259 -3.572 1.00 0.23 H new ATOM 0 HB2 LEU A 36 9.030 -0.906 -2.189 1.00 0.24 H new ATOM 0 HB3 LEU A 36 8.483 -2.418 -1.493 1.00 0.24 H new ATOM 0 HG LEU A 36 10.861 -3.222 -1.391 1.00 0.30 H new ATOM 0 HD11 LEU A 36 12.677 -1.575 -1.792 1.00 0.40 H new ATOM 0 HD12 LEU A 36 11.729 -1.854 -3.272 1.00 0.40 H new ATOM 0 HD13 LEU A 36 11.471 -0.375 -2.316 1.00 0.40 H new ATOM 0 HD21 LEU A 36 11.583 -1.709 0.435 1.00 0.30 H new ATOM 0 HD22 LEU A 36 10.377 -0.508 -0.085 1.00 0.30 H new ATOM 0 HD23 LEU A 36 9.847 -2.081 0.559 1.00 0.30 H new ATOM 602 N LYS A 37 8.158 -4.747 -3.816 1.00 0.23 N ATOM 603 CA LYS A 37 6.950 -5.616 -3.954 1.00 0.23 C ATOM 604 C LYS A 37 6.657 -6.244 -2.601 1.00 0.18 C ATOM 605 O LYS A 37 7.521 -6.854 -2.004 1.00 0.19 O ATOM 606 CB LYS A 37 7.190 -6.714 -4.993 1.00 0.31 C ATOM 607 CG LYS A 37 6.500 -8.024 -4.579 1.00 1.23 C ATOM 608 CD LYS A 37 6.457 -8.973 -5.780 1.00 1.52 C ATOM 609 CE LYS A 37 6.143 -10.391 -5.301 1.00 2.39 C ATOM 610 NZ LYS A 37 5.747 -11.233 -6.465 1.00 2.74 N ATOM 0 H LYS A 37 9.052 -5.238 -3.837 1.00 0.23 H new ATOM 0 HA LYS A 37 6.104 -5.015 -4.287 1.00 0.23 H new ATOM 0 HB2 LYS A 37 6.812 -6.391 -5.963 1.00 0.31 H new ATOM 0 HB3 LYS A 37 8.261 -6.883 -5.108 1.00 0.31 H new ATOM 0 HG2 LYS A 37 7.040 -8.488 -3.753 1.00 1.23 H new ATOM 0 HG3 LYS A 37 5.489 -7.820 -4.225 1.00 1.23 H new ATOM 0 HD2 LYS A 37 5.700 -8.642 -6.491 1.00 1.52 H new ATOM 0 HD3 LYS A 37 7.413 -8.958 -6.303 1.00 1.52 H new ATOM 0 HE2 LYS A 37 7.015 -10.821 -4.808 1.00 2.39 H new ATOM 0 HE3 LYS A 37 5.339 -10.368 -4.565 1.00 2.39 H new ATOM 0 HZ1 LYS A 37 5.533 -12.197 -6.139 1.00 2.74 H new ATOM 0 HZ2 LYS A 37 4.904 -10.826 -6.917 1.00 2.74 H new ATOM 0 HZ3 LYS A 37 6.527 -11.265 -7.152 1.00 2.74 H new ATOM 624 N GLY A 38 5.460 -6.087 -2.107 1.00 0.18 N ATOM 625 CA GLY A 38 5.131 -6.672 -0.774 1.00 0.21 C ATOM 626 C GLY A 38 3.832 -7.477 -0.839 1.00 0.18 C ATOM 627 O GLY A 38 2.902 -7.120 -1.533 1.00 0.19 O ATOM 0 H GLY A 38 4.700 -5.583 -2.564 1.00 0.18 H new ATOM 0 HA2 GLY A 38 5.946 -7.315 -0.443 1.00 0.21 H new ATOM 0 HA3 GLY A 38 5.034 -5.875 -0.036 1.00 0.21 H new ATOM 631 N THR A 39 3.785 -8.580 -0.128 1.00 0.20 N ATOM 632 CA THR A 39 2.566 -9.452 -0.149 1.00 0.25 C ATOM 633 C THR A 39 2.035 -9.730 1.267 1.00 0.23 C ATOM 634 O THR A 39 2.773 -10.025 2.180 1.00 0.22 O ATOM 635 CB THR A 39 2.922 -10.782 -0.813 1.00 0.28 C ATOM 636 OG1 THR A 39 3.864 -11.479 -0.011 1.00 0.43 O ATOM 637 CG2 THR A 39 3.523 -10.511 -2.191 1.00 0.56 C ATOM 0 H THR A 39 4.542 -8.915 0.468 1.00 0.20 H new ATOM 0 HA THR A 39 1.787 -8.931 -0.705 1.00 0.25 H new ATOM 0 HB THR A 39 2.023 -11.389 -0.919 1.00 0.28 H new ATOM 0 HG1 THR A 39 4.325 -12.150 -0.557 1.00 0.43 H new ATOM 0 HG21 THR A 39 3.779 -11.457 -2.669 1.00 0.56 H new ATOM 0 HG22 THR A 39 2.798 -9.978 -2.806 1.00 0.56 H new ATOM 0 HG23 THR A 39 4.422 -9.904 -2.083 1.00 0.56 H new ATOM 645 N GLY A 40 0.741 -9.636 1.434 1.00 0.27 N ATOM 646 CA GLY A 40 0.104 -9.904 2.761 1.00 0.30 C ATOM 647 C GLY A 40 0.957 -9.380 3.917 1.00 0.29 C ATOM 648 O GLY A 40 0.764 -8.278 4.389 1.00 0.33 O ATOM 0 H GLY A 40 0.087 -9.380 0.694 1.00 0.27 H new ATOM 0 HA2 GLY A 40 -0.879 -9.435 2.793 1.00 0.30 H new ATOM 0 HA3 GLY A 40 -0.050 -10.976 2.880 1.00 0.30 H new ATOM 652 N ARG A 41 1.880 -10.169 4.402 1.00 0.27 N ATOM 653 CA ARG A 41 2.714 -9.713 5.549 1.00 0.28 C ATOM 654 C ARG A 41 3.823 -8.794 5.051 1.00 0.24 C ATOM 655 O ARG A 41 3.998 -7.702 5.556 1.00 0.25 O ATOM 656 CB ARG A 41 3.324 -10.918 6.281 1.00 0.31 C ATOM 657 CG ARG A 41 2.806 -12.230 5.679 1.00 0.64 C ATOM 658 CD ARG A 41 3.168 -13.391 6.610 1.00 0.92 C ATOM 659 NE ARG A 41 3.410 -14.620 5.804 1.00 1.69 N ATOM 660 CZ ARG A 41 3.410 -15.791 6.382 1.00 2.12 C ATOM 661 NH1 ARG A 41 3.197 -15.884 7.665 1.00 2.03 N ATOM 662 NH2 ARG A 41 3.621 -16.868 5.675 1.00 3.09 N ATOM 0 H ARG A 41 2.090 -11.105 4.054 1.00 0.27 H new ATOM 0 HA ARG A 41 2.079 -9.165 6.246 1.00 0.28 H new ATOM 0 HB2 ARG A 41 4.411 -10.882 6.210 1.00 0.31 H new ATOM 0 HB3 ARG A 41 3.073 -10.873 7.341 1.00 0.31 H new ATOM 0 HG2 ARG A 41 1.726 -12.180 5.544 1.00 0.64 H new ATOM 0 HG3 ARG A 41 3.243 -12.389 4.693 1.00 0.64 H new ATOM 0 HD2 ARG A 41 4.057 -13.143 7.189 1.00 0.92 H new ATOM 0 HD3 ARG A 41 2.362 -13.564 7.323 1.00 0.92 H new ATOM 0 HE ARG A 41 3.576 -14.547 4.800 1.00 1.69 H new ATOM 0 HH11 ARG A 41 3.030 -15.042 8.217 1.00 2.03 H new ATOM 0 HH12 ARG A 41 3.197 -16.798 8.117 1.00 2.03 H new ATOM 0 HH21 ARG A 41 3.786 -16.795 4.671 1.00 3.09 H new ATOM 0 HH22 ARG A 41 3.621 -17.783 6.127 1.00 3.09 H new ATOM 676 N GLU A 42 4.583 -9.203 4.073 1.00 0.21 N ATOM 677 CA GLU A 42 5.664 -8.311 3.591 1.00 0.18 C ATOM 678 C GLU A 42 5.017 -7.009 3.133 1.00 0.17 C ATOM 679 O GLU A 42 5.664 -5.985 3.018 1.00 0.18 O ATOM 680 CB GLU A 42 6.420 -8.939 2.409 1.00 0.16 C ATOM 681 CG GLU A 42 5.937 -10.365 2.134 1.00 0.20 C ATOM 682 CD GLU A 42 6.882 -11.040 1.140 1.00 0.22 C ATOM 683 OE1 GLU A 42 7.285 -10.383 0.195 1.00 1.09 O ATOM 684 OE2 GLU A 42 7.189 -12.204 1.341 1.00 1.06 O ATOM 0 H GLU A 42 4.502 -10.101 3.596 1.00 0.21 H new ATOM 0 HA GLU A 42 6.380 -8.142 4.396 1.00 0.18 H new ATOM 0 HB2 GLU A 42 6.279 -8.327 1.518 1.00 0.16 H new ATOM 0 HB3 GLU A 42 7.489 -8.950 2.623 1.00 0.16 H new ATOM 0 HG2 GLU A 42 5.902 -10.934 3.063 1.00 0.20 H new ATOM 0 HG3 GLU A 42 4.923 -10.346 1.733 1.00 0.20 H new ATOM 691 N ILE A 43 3.739 -7.046 2.872 1.00 0.19 N ATOM 692 CA ILE A 43 3.019 -5.827 2.419 1.00 0.20 C ATOM 693 C ILE A 43 3.228 -4.665 3.408 1.00 0.22 C ATOM 694 O ILE A 43 3.281 -3.517 3.016 1.00 0.24 O ATOM 695 CB ILE A 43 1.524 -6.183 2.291 1.00 0.26 C ATOM 696 CG1 ILE A 43 0.944 -5.525 1.045 1.00 0.40 C ATOM 697 CG2 ILE A 43 0.745 -5.680 3.501 1.00 0.38 C ATOM 698 CD1 ILE A 43 -0.530 -5.908 0.897 1.00 0.87 C ATOM 0 H ILE A 43 3.158 -7.880 2.955 1.00 0.19 H new ATOM 0 HA ILE A 43 3.408 -5.497 1.456 1.00 0.20 H new ATOM 0 HB ILE A 43 1.439 -7.268 2.226 1.00 0.26 H new ATOM 0 HG12 ILE A 43 1.043 -4.442 1.115 1.00 0.40 H new ATOM 0 HG13 ILE A 43 1.502 -5.840 0.163 1.00 0.40 H new ATOM 0 HG21 ILE A 43 -0.307 -5.942 3.391 1.00 0.38 H new ATOM 0 HG22 ILE A 43 1.141 -6.141 4.406 1.00 0.38 H new ATOM 0 HG23 ILE A 43 0.844 -4.597 3.573 1.00 0.38 H new ATOM 0 HD11 ILE A 43 -0.941 -5.435 0.005 1.00 0.87 H new ATOM 0 HD12 ILE A 43 -0.617 -6.991 0.807 1.00 0.87 H new ATOM 0 HD13 ILE A 43 -1.083 -5.571 1.774 1.00 0.87 H new ATOM 710 N SER A 44 3.342 -4.945 4.679 1.00 0.24 N ATOM 711 CA SER A 44 3.538 -3.850 5.668 1.00 0.27 C ATOM 712 C SER A 44 5.017 -3.504 5.722 1.00 0.26 C ATOM 713 O SER A 44 5.400 -2.407 6.081 1.00 0.27 O ATOM 714 CB SER A 44 3.064 -4.317 7.044 1.00 0.31 C ATOM 715 OG SER A 44 2.255 -5.476 6.893 1.00 1.14 O ATOM 0 H SER A 44 3.308 -5.885 5.073 1.00 0.24 H new ATOM 0 HA SER A 44 2.964 -2.971 5.375 1.00 0.27 H new ATOM 0 HB2 SER A 44 3.921 -4.538 7.681 1.00 0.31 H new ATOM 0 HB3 SER A 44 2.498 -3.525 7.534 1.00 0.31 H new ATOM 0 HG SER A 44 1.950 -5.779 7.774 1.00 1.14 H new ATOM 721 N LYS A 45 5.853 -4.415 5.315 1.00 0.25 N ATOM 722 CA LYS A 45 7.295 -4.094 5.296 1.00 0.25 C ATOM 723 C LYS A 45 7.479 -3.009 4.245 1.00 0.23 C ATOM 724 O LYS A 45 7.760 -1.871 4.564 1.00 0.25 O ATOM 725 CB LYS A 45 8.117 -5.337 4.948 1.00 0.24 C ATOM 726 CG LYS A 45 7.812 -6.455 5.955 1.00 0.42 C ATOM 727 CD LYS A 45 8.445 -6.140 7.317 1.00 0.90 C ATOM 728 CE LYS A 45 8.466 -7.410 8.171 1.00 0.82 C ATOM 729 NZ LYS A 45 9.713 -8.177 7.895 1.00 1.86 N ATOM 0 H LYS A 45 5.602 -5.352 5.000 1.00 0.25 H new ATOM 0 HA LYS A 45 7.638 -3.753 6.273 1.00 0.25 H new ATOM 0 HB2 LYS A 45 7.881 -5.670 3.937 1.00 0.24 H new ATOM 0 HB3 LYS A 45 9.180 -5.099 4.965 1.00 0.24 H new ATOM 0 HG2 LYS A 45 6.734 -6.568 6.066 1.00 0.42 H new ATOM 0 HG3 LYS A 45 8.195 -7.404 5.580 1.00 0.42 H new ATOM 0 HD2 LYS A 45 9.458 -5.762 7.181 1.00 0.90 H new ATOM 0 HD3 LYS A 45 7.878 -5.358 7.822 1.00 0.90 H new ATOM 0 HE2 LYS A 45 8.413 -7.150 9.228 1.00 0.82 H new ATOM 0 HE3 LYS A 45 7.593 -8.024 7.950 1.00 0.82 H new ATOM 0 HZ1 LYS A 45 9.481 -9.182 7.764 1.00 1.86 H new ATOM 0 HZ2 LYS A 45 10.162 -7.810 7.032 1.00 1.86 H new ATOM 0 HZ3 LYS A 45 10.368 -8.075 8.696 1.00 1.86 H new ATOM 743 N ALA A 46 7.326 -3.374 2.994 1.00 0.22 N ATOM 744 CA ALA A 46 7.486 -2.394 1.868 1.00 0.23 C ATOM 745 C ALA A 46 7.108 -0.979 2.326 1.00 0.22 C ATOM 746 O ALA A 46 7.854 -0.037 2.153 1.00 0.29 O ATOM 747 CB ALA A 46 6.579 -2.807 0.707 1.00 0.25 C ATOM 0 H ALA A 46 7.094 -4.323 2.700 1.00 0.22 H new ATOM 0 HA ALA A 46 8.528 -2.393 1.549 1.00 0.23 H new ATOM 0 HB1 ALA A 46 6.692 -2.098 -0.113 1.00 0.25 H new ATOM 0 HB2 ALA A 46 6.857 -3.804 0.365 1.00 0.25 H new ATOM 0 HB3 ALA A 46 5.541 -2.814 1.041 1.00 0.25 H new ATOM 753 N VAL A 47 5.956 -0.832 2.914 1.00 0.17 N ATOM 754 CA VAL A 47 5.514 0.510 3.399 1.00 0.17 C ATOM 755 C VAL A 47 6.535 1.068 4.392 1.00 0.17 C ATOM 756 O VAL A 47 7.216 2.037 4.123 1.00 0.16 O ATOM 757 CB VAL A 47 4.157 0.371 4.100 1.00 0.18 C ATOM 758 CG1 VAL A 47 3.739 1.715 4.708 1.00 0.22 C ATOM 759 CG2 VAL A 47 3.106 -0.081 3.083 1.00 0.20 C ATOM 0 H VAL A 47 5.293 -1.589 3.082 1.00 0.17 H new ATOM 0 HA VAL A 47 5.429 1.188 2.550 1.00 0.17 H new ATOM 0 HB VAL A 47 4.239 -0.368 4.897 1.00 0.18 H new ATOM 0 HG11 VAL A 47 2.774 1.606 5.203 1.00 0.22 H new ATOM 0 HG12 VAL A 47 4.486 2.034 5.435 1.00 0.22 H new ATOM 0 HG13 VAL A 47 3.659 2.462 3.919 1.00 0.22 H new ATOM 0 HG21 VAL A 47 2.140 -0.181 3.578 1.00 0.20 H new ATOM 0 HG22 VAL A 47 3.030 0.658 2.285 1.00 0.20 H new ATOM 0 HG23 VAL A 47 3.398 -1.042 2.661 1.00 0.20 H new ATOM 769 N ASP A 48 6.632 0.465 5.542 1.00 0.20 N ATOM 770 CA ASP A 48 7.594 0.952 6.572 1.00 0.23 C ATOM 771 C ASP A 48 8.941 1.236 5.919 1.00 0.24 C ATOM 772 O ASP A 48 9.538 2.275 6.122 1.00 0.26 O ATOM 773 CB ASP A 48 7.779 -0.128 7.636 1.00 0.26 C ATOM 774 CG ASP A 48 8.583 0.439 8.808 1.00 0.44 C ATOM 775 OD1 ASP A 48 9.790 0.554 8.672 1.00 1.26 O ATOM 776 OD2 ASP A 48 7.978 0.749 9.820 1.00 1.11 O ATOM 0 H ASP A 48 6.083 -0.350 5.816 1.00 0.20 H new ATOM 0 HA ASP A 48 7.207 1.864 7.027 1.00 0.23 H new ATOM 0 HB2 ASP A 48 6.808 -0.480 7.984 1.00 0.26 H new ATOM 0 HB3 ASP A 48 8.295 -0.988 7.210 1.00 0.26 H new ATOM 781 N VAL A 49 9.417 0.315 5.137 1.00 0.26 N ATOM 782 CA VAL A 49 10.726 0.522 4.463 1.00 0.30 C ATOM 783 C VAL A 49 10.746 1.915 3.836 1.00 0.29 C ATOM 784 O VAL A 49 11.600 2.726 4.125 1.00 0.29 O ATOM 785 CB VAL A 49 10.928 -0.533 3.374 1.00 0.37 C ATOM 786 CG1 VAL A 49 12.224 -0.239 2.616 1.00 1.06 C ATOM 787 CG2 VAL A 49 11.022 -1.918 4.015 1.00 0.95 C ATOM 0 H VAL A 49 8.958 -0.573 4.934 1.00 0.26 H new ATOM 0 HA VAL A 49 11.529 0.431 5.194 1.00 0.30 H new ATOM 0 HB VAL A 49 10.085 -0.507 2.684 1.00 0.37 H new ATOM 0 HG11 VAL A 49 12.370 -0.990 1.839 1.00 1.06 H new ATOM 0 HG12 VAL A 49 12.162 0.749 2.159 1.00 1.06 H new ATOM 0 HG13 VAL A 49 13.065 -0.266 3.309 1.00 1.06 H new ATOM 0 HG21 VAL A 49 11.166 -2.669 3.238 1.00 0.95 H new ATOM 0 HG22 VAL A 49 11.865 -1.943 4.705 1.00 0.95 H new ATOM 0 HG23 VAL A 49 10.102 -2.130 4.559 1.00 0.95 H new ATOM 797 N TYR A 50 9.824 2.191 2.959 1.00 0.31 N ATOM 798 CA TYR A 50 9.794 3.518 2.282 1.00 0.34 C ATOM 799 C TYR A 50 9.593 4.655 3.288 1.00 0.30 C ATOM 800 O TYR A 50 10.373 5.582 3.335 1.00 0.30 O ATOM 801 CB TYR A 50 8.657 3.510 1.266 1.00 0.40 C ATOM 802 CG TYR A 50 7.976 4.858 1.214 1.00 1.14 C ATOM 803 CD1 TYR A 50 8.716 6.003 0.907 1.00 1.88 C ATOM 804 CD2 TYR A 50 6.599 4.957 1.452 1.00 2.13 C ATOM 805 CE1 TYR A 50 8.081 7.248 0.840 1.00 2.70 C ATOM 806 CE2 TYR A 50 5.965 6.203 1.383 1.00 2.97 C ATOM 807 CZ TYR A 50 6.706 7.348 1.077 1.00 3.06 C ATOM 808 OH TYR A 50 6.080 8.577 1.009 1.00 4.02 O ATOM 0 H TYR A 50 9.083 1.549 2.679 1.00 0.31 H new ATOM 0 HA TYR A 50 10.749 3.689 1.786 1.00 0.34 H new ATOM 0 HB2 TYR A 50 9.046 3.255 0.280 1.00 0.40 H new ATOM 0 HB3 TYR A 50 7.932 2.741 1.531 1.00 0.40 H new ATOM 0 HD1 TYR A 50 9.777 5.927 0.722 1.00 1.88 H new ATOM 0 HD2 TYR A 50 6.027 4.072 1.689 1.00 2.13 H new ATOM 0 HE1 TYR A 50 8.653 8.133 0.605 1.00 2.70 H new ATOM 0 HE2 TYR A 50 4.903 6.280 1.566 1.00 2.97 H new ATOM 0 HH TYR A 50 5.125 8.469 1.199 1.00 4.02 H new ATOM 818 N ASN A 51 8.568 4.606 4.093 1.00 0.30 N ATOM 819 CA ASN A 51 8.366 5.704 5.073 1.00 0.30 C ATOM 820 C ASN A 51 9.649 5.856 5.871 1.00 0.29 C ATOM 821 O ASN A 51 10.165 6.940 6.050 1.00 0.29 O ATOM 822 CB ASN A 51 7.210 5.364 6.013 1.00 0.32 C ATOM 823 CG ASN A 51 7.751 5.081 7.415 1.00 0.61 C ATOM 824 OD1 ASN A 51 8.020 3.947 7.758 1.00 1.34 O ATOM 825 ND2 ASN A 51 7.926 6.073 8.245 1.00 1.28 N ATOM 0 H ASN A 51 7.870 3.862 4.114 1.00 0.30 H new ATOM 0 HA ASN A 51 8.124 6.632 4.555 1.00 0.30 H new ATOM 0 HB2 ASN A 51 6.501 6.191 6.047 1.00 0.32 H new ATOM 0 HB3 ASN A 51 6.669 4.495 5.639 1.00 0.32 H new ATOM 0 HD21 ASN A 51 8.289 5.896 9.182 1.00 1.28 H new ATOM 0 HD22 ASN A 51 7.700 7.025 7.957 1.00 1.28 H new ATOM 832 N SER A 52 10.163 4.765 6.350 1.00 0.30 N ATOM 833 CA SER A 52 11.413 4.837 7.137 1.00 0.30 C ATOM 834 C SER A 52 12.491 5.447 6.247 1.00 0.29 C ATOM 835 O SER A 52 13.327 6.203 6.698 1.00 0.28 O ATOM 836 CB SER A 52 11.845 3.447 7.586 1.00 0.33 C ATOM 837 OG SER A 52 11.856 2.568 6.469 1.00 1.04 O ATOM 0 H SER A 52 9.772 3.830 6.231 1.00 0.30 H new ATOM 0 HA SER A 52 11.256 5.446 8.027 1.00 0.30 H new ATOM 0 HB2 SER A 52 12.836 3.491 8.037 1.00 0.33 H new ATOM 0 HB3 SER A 52 11.164 3.072 8.350 1.00 0.33 H new ATOM 0 HG SER A 52 11.197 2.869 5.809 1.00 1.04 H new ATOM 843 N LEU A 53 12.469 5.140 4.975 1.00 0.28 N ATOM 844 CA LEU A 53 13.471 5.714 4.046 1.00 0.28 C ATOM 845 C LEU A 53 13.041 7.138 3.706 1.00 0.26 C ATOM 846 O LEU A 53 13.841 7.983 3.363 1.00 0.26 O ATOM 847 CB LEU A 53 13.504 4.874 2.766 1.00 0.28 C ATOM 848 CG LEU A 53 14.687 5.300 1.893 1.00 0.29 C ATOM 849 CD1 LEU A 53 15.945 4.523 2.289 1.00 0.44 C ATOM 850 CD2 LEU A 53 14.364 5.020 0.425 1.00 0.40 C ATOM 0 H LEU A 53 11.792 4.511 4.543 1.00 0.28 H new ATOM 0 HA LEU A 53 14.461 5.717 4.503 1.00 0.28 H new ATOM 0 HB2 LEU A 53 13.588 3.817 3.017 1.00 0.28 H new ATOM 0 HB3 LEU A 53 12.571 4.998 2.215 1.00 0.28 H new ATOM 0 HG LEU A 53 14.865 6.366 2.037 1.00 0.29 H new ATOM 0 HD11 LEU A 53 16.779 4.836 1.660 1.00 0.44 H new ATOM 0 HD12 LEU A 53 16.183 4.724 3.334 1.00 0.44 H new ATOM 0 HD13 LEU A 53 15.770 3.455 2.155 1.00 0.44 H new ATOM 0 HD21 LEU A 53 15.206 5.323 -0.197 1.00 0.40 H new ATOM 0 HD22 LEU A 53 14.178 3.954 0.290 1.00 0.40 H new ATOM 0 HD23 LEU A 53 13.477 5.583 0.134 1.00 0.40 H new ATOM 862 N LYS A 54 11.787 7.438 3.861 1.00 0.26 N ATOM 863 CA LYS A 54 11.318 8.817 3.601 1.00 0.27 C ATOM 864 C LYS A 54 11.678 9.607 4.840 1.00 0.29 C ATOM 865 O LYS A 54 12.208 10.699 4.791 1.00 0.28 O ATOM 866 CB LYS A 54 9.799 8.777 3.431 1.00 0.30 C ATOM 867 CG LYS A 54 9.285 10.030 2.710 1.00 0.55 C ATOM 868 CD LYS A 54 9.031 11.152 3.716 1.00 0.27 C ATOM 869 CE LYS A 54 8.388 12.337 2.994 1.00 0.36 C ATOM 870 NZ LYS A 54 7.037 12.593 3.570 1.00 1.00 N ATOM 0 H LYS A 54 11.064 6.783 4.158 1.00 0.26 H new ATOM 0 HA LYS A 54 11.761 9.258 2.708 1.00 0.27 H new ATOM 0 HB2 LYS A 54 9.518 7.889 2.866 1.00 0.30 H new ATOM 0 HB3 LYS A 54 9.324 8.697 4.409 1.00 0.30 H new ATOM 0 HG2 LYS A 54 10.014 10.356 1.968 1.00 0.55 H new ATOM 0 HG3 LYS A 54 8.365 9.798 2.173 1.00 0.55 H new ATOM 0 HD2 LYS A 54 8.379 10.800 4.515 1.00 0.27 H new ATOM 0 HD3 LYS A 54 9.968 11.459 4.181 1.00 0.27 H new ATOM 0 HE2 LYS A 54 9.014 13.223 3.098 1.00 0.36 H new ATOM 0 HE3 LYS A 54 8.307 12.127 1.927 1.00 0.36 H new ATOM 0 HZ1 LYS A 54 6.598 13.399 3.080 1.00 1.00 H new ATOM 0 HZ2 LYS A 54 6.442 11.748 3.449 1.00 1.00 H new ATOM 0 HZ3 LYS A 54 7.127 12.811 4.583 1.00 1.00 H new ATOM 884 N ASP A 55 11.415 9.005 5.959 1.00 0.34 N ATOM 885 CA ASP A 55 11.752 9.623 7.253 1.00 0.38 C ATOM 886 C ASP A 55 13.246 9.933 7.240 1.00 0.40 C ATOM 887 O ASP A 55 13.768 10.602 8.111 1.00 0.47 O ATOM 888 CB ASP A 55 11.430 8.619 8.360 1.00 0.43 C ATOM 889 CG ASP A 55 12.033 9.095 9.681 1.00 0.85 C ATOM 890 OD1 ASP A 55 12.043 10.293 9.905 1.00 1.58 O ATOM 891 OD2 ASP A 55 12.472 8.253 10.446 1.00 1.48 O ATOM 0 H ASP A 55 10.970 8.090 6.027 1.00 0.34 H new ATOM 0 HA ASP A 55 11.186 10.539 7.424 1.00 0.38 H new ATOM 0 HB2 ASP A 55 10.350 8.509 8.461 1.00 0.43 H new ATOM 0 HB3 ASP A 55 11.828 7.638 8.101 1.00 0.43 H new ATOM 896 N ARG A 56 13.936 9.448 6.238 1.00 0.36 N ATOM 897 CA ARG A 56 15.394 9.701 6.136 1.00 0.40 C ATOM 898 C ARG A 56 15.634 11.161 5.787 1.00 0.40 C ATOM 899 O ARG A 56 16.431 11.840 6.403 1.00 0.43 O ATOM 900 CB ARG A 56 15.957 8.847 5.010 1.00 0.44 C ATOM 901 CG ARG A 56 17.444 8.600 5.235 1.00 0.81 C ATOM 902 CD ARG A 56 17.632 7.356 6.108 1.00 0.67 C ATOM 903 NE ARG A 56 19.083 7.155 6.367 1.00 1.00 N ATOM 904 CZ ARG A 56 19.474 6.403 7.358 1.00 1.24 C ATOM 905 NH1 ARG A 56 18.593 5.811 8.118 1.00 1.52 N ATOM 906 NH2 ARG A 56 20.748 6.242 7.589 1.00 1.69 N ATOM 0 H ARG A 56 13.543 8.884 5.484 1.00 0.36 H new ATOM 0 HA ARG A 56 15.873 9.460 7.085 1.00 0.40 H new ATOM 0 HB2 ARG A 56 15.425 7.897 4.963 1.00 0.44 H new ATOM 0 HB3 ARG A 56 15.804 9.346 4.053 1.00 0.44 H new ATOM 0 HG2 ARG A 56 17.949 8.465 4.279 1.00 0.81 H new ATOM 0 HG3 ARG A 56 17.898 9.466 5.716 1.00 0.81 H new ATOM 0 HD2 ARG A 56 17.095 7.473 7.049 1.00 0.67 H new ATOM 0 HD3 ARG A 56 17.215 6.481 5.610 1.00 0.67 H new ATOM 0 HE ARG A 56 19.774 7.607 5.768 1.00 1.00 H new ATOM 0 HH11 ARG A 56 17.597 5.936 7.937 1.00 1.52 H new ATOM 0 HH12 ARG A 56 18.901 5.223 8.893 1.00 1.52 H new ATOM 0 HH21 ARG A 56 21.436 6.704 6.995 1.00 1.69 H new ATOM 0 HH22 ARG A 56 21.056 5.654 8.364 1.00 1.69 H new ATOM 920 N LEU A 57 14.956 11.647 4.789 1.00 0.38 N ATOM 921 CA LEU A 57 15.159 13.058 4.392 1.00 0.42 C ATOM 922 C LEU A 57 13.915 13.612 3.709 1.00 0.39 C ATOM 923 O LEU A 57 13.771 14.811 3.589 1.00 0.41 O ATOM 924 CB LEU A 57 16.345 13.149 3.429 1.00 0.51 C ATOM 925 CG LEU A 57 16.941 14.558 3.479 1.00 1.11 C ATOM 926 CD1 LEU A 57 18.057 14.605 4.523 1.00 1.63 C ATOM 927 CD2 LEU A 57 17.513 14.919 2.106 1.00 1.66 C ATOM 0 H LEU A 57 14.274 11.129 4.235 1.00 0.38 H new ATOM 0 HA LEU A 57 15.357 13.646 5.288 1.00 0.42 H new ATOM 0 HB2 LEU A 57 17.103 12.413 3.699 1.00 0.51 H new ATOM 0 HB3 LEU A 57 16.021 12.916 2.415 1.00 0.51 H new ATOM 0 HG LEU A 57 16.162 15.271 3.748 1.00 1.11 H new ATOM 0 HD11 LEU A 57 18.481 15.609 4.558 1.00 1.63 H new ATOM 0 HD12 LEU A 57 17.651 14.348 5.501 1.00 1.63 H new ATOM 0 HD13 LEU A 57 18.836 13.891 4.255 1.00 1.63 H new ATOM 0 HD21 LEU A 57 17.938 15.922 2.141 1.00 1.66 H new ATOM 0 HD22 LEU A 57 18.291 14.205 1.837 1.00 1.66 H new ATOM 0 HD23 LEU A 57 16.718 14.887 1.361 1.00 1.66 H new ATOM 939 N GLY A 58 12.998 12.775 3.282 1.00 0.39 N ATOM 940 CA GLY A 58 11.765 13.298 2.622 1.00 0.38 C ATOM 941 C GLY A 58 12.133 14.027 1.328 1.00 0.33 C ATOM 942 O GLY A 58 11.633 13.724 0.264 1.00 0.31 O ATOM 0 H GLY A 58 13.052 11.760 3.363 1.00 0.39 H new ATOM 0 HA2 GLY A 58 11.083 12.476 2.405 1.00 0.38 H new ATOM 0 HA3 GLY A 58 11.242 13.977 3.296 1.00 0.38 H new ATOM 946 N ASP A 59 12.992 14.993 1.425 1.00 0.37 N ATOM 947 CA ASP A 59 13.393 15.768 0.220 1.00 0.38 C ATOM 948 C ASP A 59 14.297 14.914 -0.655 1.00 0.30 C ATOM 949 O ASP A 59 14.186 14.914 -1.861 1.00 0.32 O ATOM 950 CB ASP A 59 14.136 17.034 0.643 1.00 0.47 C ATOM 951 CG ASP A 59 13.509 18.248 -0.047 1.00 0.57 C ATOM 952 OD1 ASP A 59 12.378 18.572 0.280 1.00 1.38 O ATOM 953 OD2 ASP A 59 14.168 18.831 -0.891 1.00 1.06 O ATOM 0 H ASP A 59 13.440 15.285 2.294 1.00 0.37 H new ATOM 0 HA ASP A 59 12.502 16.047 -0.342 1.00 0.38 H new ATOM 0 HB2 ASP A 59 14.088 17.152 1.725 1.00 0.47 H new ATOM 0 HB3 ASP A 59 15.190 16.956 0.378 1.00 0.47 H new ATOM 958 N GLY A 60 15.181 14.172 -0.057 1.00 0.26 N ATOM 959 CA GLY A 60 16.083 13.311 -0.859 1.00 0.24 C ATOM 960 C GLY A 60 15.361 12.012 -1.187 1.00 0.23 C ATOM 961 O GLY A 60 15.976 11.004 -1.446 1.00 0.24 O ATOM 0 H GLY A 60 15.317 14.125 0.953 1.00 0.26 H new ATOM 0 HA2 GLY A 60 16.375 13.822 -1.776 1.00 0.24 H new ATOM 0 HA3 GLY A 60 16.998 13.104 -0.304 1.00 0.24 H new ATOM 965 N VAL A 61 14.053 12.030 -1.177 1.00 0.22 N ATOM 966 CA VAL A 61 13.270 10.802 -1.485 1.00 0.22 C ATOM 967 C VAL A 61 11.900 11.245 -1.999 1.00 0.22 C ATOM 968 O VAL A 61 11.272 12.114 -1.428 1.00 0.28 O ATOM 969 CB VAL A 61 13.075 9.966 -0.212 1.00 0.25 C ATOM 970 CG1 VAL A 61 11.818 9.102 -0.358 1.00 0.34 C ATOM 971 CG2 VAL A 61 14.287 9.056 0.017 1.00 0.38 C ATOM 0 H VAL A 61 13.490 12.854 -0.966 1.00 0.22 H new ATOM 0 HA VAL A 61 13.796 10.199 -2.225 1.00 0.22 H new ATOM 0 HB VAL A 61 12.968 10.639 0.639 1.00 0.25 H new ATOM 0 HG11 VAL A 61 11.678 8.508 0.545 1.00 0.34 H new ATOM 0 HG12 VAL A 61 10.950 9.744 -0.508 1.00 0.34 H new ATOM 0 HG13 VAL A 61 11.930 8.438 -1.215 1.00 0.34 H new ATOM 0 HG21 VAL A 61 14.135 8.469 0.923 1.00 0.38 H new ATOM 0 HG22 VAL A 61 14.405 8.386 -0.834 1.00 0.38 H new ATOM 0 HG23 VAL A 61 15.184 9.665 0.126 1.00 0.38 H new ATOM 981 N GLN A 62 11.459 10.692 -3.093 1.00 0.20 N ATOM 982 CA GLN A 62 10.157 11.121 -3.671 1.00 0.21 C ATOM 983 C GLN A 62 9.336 9.931 -4.165 1.00 0.22 C ATOM 984 O GLN A 62 9.841 8.870 -4.456 1.00 0.21 O ATOM 985 CB GLN A 62 10.445 12.045 -4.846 1.00 0.23 C ATOM 986 CG GLN A 62 10.165 13.490 -4.456 1.00 0.34 C ATOM 987 CD GLN A 62 8.658 13.750 -4.497 1.00 0.50 C ATOM 988 OE1 GLN A 62 7.955 13.185 -5.312 1.00 1.14 O ATOM 989 NE2 GLN A 62 8.128 14.587 -3.649 1.00 1.31 N ATOM 0 H GLN A 62 11.945 9.961 -3.612 1.00 0.20 H new ATOM 0 HA GLN A 62 9.579 11.625 -2.896 1.00 0.21 H new ATOM 0 HB2 GLN A 62 11.485 11.939 -5.156 1.00 0.23 H new ATOM 0 HB3 GLN A 62 9.828 11.764 -5.699 1.00 0.23 H new ATOM 0 HG2 GLN A 62 10.551 13.689 -3.456 1.00 0.34 H new ATOM 0 HG3 GLN A 62 10.680 14.167 -5.137 1.00 0.34 H new ATOM 0 HE21 GLN A 62 8.717 15.061 -2.965 1.00 1.31 H new ATOM 0 HE22 GLN A 62 7.124 14.767 -3.670 1.00 1.31 H new ATOM 998 N LEU A 63 8.054 10.136 -4.252 1.00 0.25 N ATOM 999 CA LEU A 63 7.119 9.072 -4.717 1.00 0.26 C ATOM 1000 C LEU A 63 6.874 9.228 -6.221 1.00 0.29 C ATOM 1001 O LEU A 63 6.319 10.217 -6.658 1.00 0.34 O ATOM 1002 CB LEU A 63 5.800 9.234 -3.951 1.00 0.29 C ATOM 1003 CG LEU A 63 4.827 8.092 -4.285 1.00 0.29 C ATOM 1004 CD1 LEU A 63 4.069 7.671 -3.020 1.00 0.49 C ATOM 1005 CD2 LEU A 63 3.808 8.563 -5.330 1.00 0.48 C ATOM 0 H LEU A 63 7.602 11.019 -4.014 1.00 0.25 H new ATOM 0 HA LEU A 63 7.540 8.084 -4.534 1.00 0.26 H new ATOM 0 HB2 LEU A 63 5.997 9.247 -2.879 1.00 0.29 H new ATOM 0 HB3 LEU A 63 5.344 10.191 -4.203 1.00 0.29 H new ATOM 0 HG LEU A 63 5.398 7.250 -4.677 1.00 0.29 H new ATOM 0 HD11 LEU A 63 3.380 6.861 -3.261 1.00 0.49 H new ATOM 0 HD12 LEU A 63 4.779 7.331 -2.266 1.00 0.49 H new ATOM 0 HD13 LEU A 63 3.508 8.521 -2.632 1.00 0.49 H new ATOM 0 HD21 LEU A 63 3.122 7.749 -5.562 1.00 0.48 H new ATOM 0 HD22 LEU A 63 3.246 9.409 -4.935 1.00 0.48 H new ATOM 0 HD23 LEU A 63 4.331 8.866 -6.237 1.00 0.48 H new ATOM 1017 N VAL A 64 7.267 8.262 -7.013 1.00 0.29 N ATOM 1018 CA VAL A 64 7.036 8.361 -8.490 1.00 0.33 C ATOM 1019 C VAL A 64 5.898 7.435 -8.886 1.00 0.32 C ATOM 1020 O VAL A 64 5.288 7.617 -9.921 1.00 0.37 O ATOM 1021 CB VAL A 64 8.268 7.949 -9.309 1.00 0.36 C ATOM 1022 CG1 VAL A 64 8.997 9.193 -9.827 1.00 1.12 C ATOM 1023 CG2 VAL A 64 9.215 7.074 -8.479 1.00 1.35 C ATOM 0 H VAL A 64 7.736 7.411 -6.704 1.00 0.29 H new ATOM 0 HA VAL A 64 6.806 9.405 -8.702 1.00 0.33 H new ATOM 0 HB VAL A 64 7.931 7.359 -10.161 1.00 0.36 H new ATOM 0 HG11 VAL A 64 9.869 8.889 -10.406 1.00 1.12 H new ATOM 0 HG12 VAL A 64 8.324 9.772 -10.460 1.00 1.12 H new ATOM 0 HG13 VAL A 64 9.317 9.805 -8.984 1.00 1.12 H new ATOM 0 HG21 VAL A 64 10.078 6.797 -9.084 1.00 1.35 H new ATOM 0 HG22 VAL A 64 9.549 7.629 -7.603 1.00 1.35 H new ATOM 0 HG23 VAL A 64 8.692 6.173 -8.160 1.00 1.35 H new ATOM 1033 N ASN A 65 5.585 6.443 -8.096 1.00 0.28 N ATOM 1034 CA ASN A 65 4.466 5.548 -8.499 1.00 0.29 C ATOM 1035 C ASN A 65 4.134 4.570 -7.369 1.00 0.26 C ATOM 1036 O ASN A 65 4.993 4.170 -6.611 1.00 0.24 O ATOM 1037 CB ASN A 65 4.901 4.778 -9.734 1.00 0.30 C ATOM 1038 CG ASN A 65 4.164 5.317 -10.962 1.00 0.38 C ATOM 1039 OD1 ASN A 65 4.775 5.850 -11.866 1.00 1.20 O ATOM 1040 ND2 ASN A 65 2.865 5.200 -11.032 1.00 0.98 N ATOM 0 H ASN A 65 6.042 6.218 -7.212 1.00 0.28 H new ATOM 0 HA ASN A 65 3.575 6.139 -8.711 1.00 0.29 H new ATOM 0 HB2 ASN A 65 5.978 4.873 -9.873 1.00 0.30 H new ATOM 0 HB3 ASN A 65 4.688 3.717 -9.607 1.00 0.30 H new ATOM 0 HD21 ASN A 65 2.364 5.556 -11.846 1.00 0.98 H new ATOM 0 HD22 ASN A 65 2.352 4.752 -10.273 1.00 0.98 H new ATOM 1047 N VAL A 66 2.886 4.183 -7.261 1.00 0.27 N ATOM 1048 CA VAL A 66 2.468 3.233 -6.187 1.00 0.25 C ATOM 1049 C VAL A 66 1.171 2.544 -6.617 1.00 0.26 C ATOM 1050 O VAL A 66 0.254 3.176 -7.102 1.00 0.29 O ATOM 1051 CB VAL A 66 2.203 3.995 -4.881 1.00 0.28 C ATOM 1052 CG1 VAL A 66 1.677 3.028 -3.817 1.00 0.85 C ATOM 1053 CG2 VAL A 66 3.491 4.641 -4.371 1.00 0.63 C ATOM 0 H VAL A 66 2.133 4.489 -7.878 1.00 0.27 H new ATOM 0 HA VAL A 66 3.261 2.502 -6.027 1.00 0.25 H new ATOM 0 HB VAL A 66 1.464 4.772 -5.077 1.00 0.28 H new ATOM 0 HG11 VAL A 66 1.490 3.572 -2.891 1.00 0.85 H new ATOM 0 HG12 VAL A 66 0.749 2.574 -4.165 1.00 0.85 H new ATOM 0 HG13 VAL A 66 2.417 2.248 -3.636 1.00 0.85 H new ATOM 0 HG21 VAL A 66 3.287 5.178 -3.444 1.00 0.63 H new ATOM 0 HG22 VAL A 66 4.237 3.868 -4.186 1.00 0.63 H new ATOM 0 HG23 VAL A 66 3.869 5.339 -5.118 1.00 0.63 H new ATOM 1063 N GLN A 67 1.101 1.250 -6.458 1.00 0.25 N ATOM 1064 CA GLN A 67 -0.126 0.523 -6.874 1.00 0.27 C ATOM 1065 C GLN A 67 -0.412 -0.641 -5.924 1.00 0.25 C ATOM 1066 O GLN A 67 0.448 -1.118 -5.211 1.00 0.25 O ATOM 1067 CB GLN A 67 0.074 -0.017 -8.295 1.00 0.28 C ATOM 1068 CG GLN A 67 -1.278 -0.218 -8.983 1.00 0.39 C ATOM 1069 CD GLN A 67 -1.553 0.954 -9.927 1.00 0.60 C ATOM 1070 OE1 GLN A 67 -0.902 1.093 -10.944 1.00 1.07 O ATOM 1071 NE2 GLN A 67 -2.495 1.807 -9.634 1.00 1.41 N ATOM 0 H GLN A 67 1.839 0.669 -6.059 1.00 0.25 H new ATOM 0 HA GLN A 67 -0.972 1.209 -6.846 1.00 0.27 H new ATOM 0 HB2 GLN A 67 0.684 0.678 -8.873 1.00 0.28 H new ATOM 0 HB3 GLN A 67 0.615 -0.962 -8.259 1.00 0.28 H new ATOM 0 HG2 GLN A 67 -1.278 -1.155 -9.540 1.00 0.39 H new ATOM 0 HG3 GLN A 67 -2.070 -0.291 -8.237 1.00 0.39 H new ATOM 0 HE21 GLN A 67 -3.041 1.690 -8.781 1.00 1.41 H new ATOM 0 HE22 GLN A 67 -2.685 2.591 -10.258 1.00 1.41 H new ATOM 1080 N THR A 68 -1.635 -1.089 -5.928 1.00 0.26 N ATOM 1081 CA THR A 68 -2.042 -2.220 -5.048 1.00 0.27 C ATOM 1082 C THR A 68 -2.886 -3.183 -5.860 1.00 0.30 C ATOM 1083 O THR A 68 -3.564 -2.794 -6.789 1.00 0.43 O ATOM 1084 CB THR A 68 -2.887 -1.698 -3.881 1.00 0.35 C ATOM 1085 OG1 THR A 68 -3.692 -0.617 -4.327 1.00 0.52 O ATOM 1086 CG2 THR A 68 -1.977 -1.223 -2.756 1.00 0.46 C ATOM 0 H THR A 68 -2.382 -0.714 -6.513 1.00 0.26 H new ATOM 0 HA THR A 68 -1.152 -2.715 -4.659 1.00 0.27 H new ATOM 0 HB THR A 68 -3.525 -2.501 -3.512 1.00 0.35 H new ATOM 0 HG1 THR A 68 -4.551 -0.961 -4.651 1.00 0.52 H new ATOM 0 HG21 THR A 68 -2.583 -0.853 -1.929 1.00 0.46 H new ATOM 0 HG22 THR A 68 -1.361 -2.053 -2.411 1.00 0.46 H new ATOM 0 HG23 THR A 68 -1.334 -0.422 -3.121 1.00 0.46 H new ATOM 1094 N GLY A 69 -2.877 -4.433 -5.513 1.00 0.29 N ATOM 1095 CA GLY A 69 -3.703 -5.430 -6.242 1.00 0.38 C ATOM 1096 C GLY A 69 -3.517 -6.764 -5.515 1.00 0.31 C ATOM 1097 O GLY A 69 -2.554 -6.931 -4.801 1.00 0.40 O ATOM 0 H GLY A 69 -2.325 -4.814 -4.744 1.00 0.29 H new ATOM 0 HA2 GLY A 69 -4.752 -5.134 -6.248 1.00 0.38 H new ATOM 0 HA3 GLY A 69 -3.388 -5.508 -7.283 1.00 0.38 H new ATOM 1101 N SER A 70 -4.434 -7.689 -5.640 1.00 0.42 N ATOM 1102 CA SER A 70 -4.279 -8.993 -4.927 1.00 0.34 C ATOM 1103 C SER A 70 -3.739 -10.063 -5.882 1.00 0.32 C ATOM 1104 O SER A 70 -3.842 -9.942 -7.086 1.00 0.33 O ATOM 1105 CB SER A 70 -5.623 -9.424 -4.346 1.00 0.32 C ATOM 1106 OG SER A 70 -6.545 -9.647 -5.404 1.00 0.34 O ATOM 0 H SER A 70 -5.280 -7.599 -6.202 1.00 0.42 H new ATOM 0 HA SER A 70 -3.564 -8.871 -4.113 1.00 0.34 H new ATOM 0 HB2 SER A 70 -5.502 -10.333 -3.757 1.00 0.32 H new ATOM 0 HB3 SER A 70 -6.004 -8.656 -3.673 1.00 0.32 H new ATOM 0 HG SER A 70 -6.190 -9.265 -6.234 1.00 0.34 H new ATOM 1112 N GLU A 71 -3.197 -11.135 -5.352 1.00 0.33 N ATOM 1113 CA GLU A 71 -2.679 -12.216 -6.241 1.00 0.35 C ATOM 1114 C GLU A 71 -2.655 -13.547 -5.511 1.00 0.35 C ATOM 1115 O GLU A 71 -2.961 -13.640 -4.339 1.00 0.33 O ATOM 1116 CB GLU A 71 -1.262 -11.895 -6.725 1.00 0.45 C ATOM 1117 CG GLU A 71 -0.245 -11.996 -5.578 1.00 0.54 C ATOM 1118 CD GLU A 71 0.617 -13.248 -5.761 1.00 0.59 C ATOM 1119 OE1 GLU A 71 1.047 -13.494 -6.875 1.00 1.12 O ATOM 1120 OE2 GLU A 71 0.844 -13.931 -4.784 1.00 1.29 O ATOM 0 H GLU A 71 -3.093 -11.304 -4.352 1.00 0.33 H new ATOM 0 HA GLU A 71 -3.349 -12.281 -7.098 1.00 0.35 H new ATOM 0 HB2 GLU A 71 -0.983 -12.583 -7.523 1.00 0.45 H new ATOM 0 HB3 GLU A 71 -1.238 -10.891 -7.148 1.00 0.45 H new ATOM 0 HG2 GLU A 71 0.386 -11.108 -5.560 1.00 0.54 H new ATOM 0 HG3 GLU A 71 -0.765 -12.037 -4.621 1.00 0.54 H new ATOM 1127 N VAL A 72 -2.303 -14.580 -6.212 1.00 0.43 N ATOM 1128 CA VAL A 72 -2.264 -15.920 -5.589 1.00 0.51 C ATOM 1129 C VAL A 72 -0.882 -16.209 -5.012 1.00 0.58 C ATOM 1130 O VAL A 72 0.132 -16.008 -5.651 1.00 0.93 O ATOM 1131 CB VAL A 72 -2.612 -16.979 -6.634 1.00 0.64 C ATOM 1132 CG1 VAL A 72 -4.016 -17.523 -6.363 1.00 0.49 C ATOM 1133 CG2 VAL A 72 -2.567 -16.354 -8.031 1.00 1.02 C ATOM 0 H VAL A 72 -2.039 -14.552 -7.197 1.00 0.43 H new ATOM 0 HA VAL A 72 -2.991 -15.947 -4.778 1.00 0.51 H new ATOM 0 HB VAL A 72 -1.890 -17.794 -6.578 1.00 0.64 H new ATOM 0 HG11 VAL A 72 -4.264 -18.278 -7.109 1.00 0.49 H new ATOM 0 HG12 VAL A 72 -4.047 -17.970 -5.369 1.00 0.49 H new ATOM 0 HG13 VAL A 72 -4.739 -16.709 -6.418 1.00 0.49 H new ATOM 0 HG21 VAL A 72 -2.815 -17.110 -8.776 1.00 1.02 H new ATOM 0 HG22 VAL A 72 -3.287 -15.538 -8.088 1.00 1.02 H new ATOM 0 HG23 VAL A 72 -1.566 -15.968 -8.225 1.00 1.02 H new ATOM 1143 N ARG A 73 -0.846 -16.724 -3.815 1.00 0.44 N ATOM 1144 CA ARG A 73 0.452 -17.082 -3.183 1.00 0.48 C ATOM 1145 C ARG A 73 0.240 -18.328 -2.322 1.00 0.54 C ATOM 1146 O ARG A 73 -0.287 -18.253 -1.231 1.00 0.55 O ATOM 1147 CB ARG A 73 0.936 -15.924 -2.315 1.00 0.43 C ATOM 1148 CG ARG A 73 2.462 -15.945 -2.206 1.00 0.53 C ATOM 1149 CD ARG A 73 2.924 -14.728 -1.403 1.00 0.62 C ATOM 1150 NE ARG A 73 4.364 -14.467 -1.677 1.00 0.89 N ATOM 1151 CZ ARG A 73 5.273 -15.290 -1.233 1.00 1.42 C ATOM 1152 NH1 ARG A 73 4.921 -16.341 -0.546 1.00 2.23 N ATOM 1153 NH2 ARG A 73 6.535 -15.061 -1.475 1.00 1.70 N ATOM 0 H ARG A 73 -1.669 -16.914 -3.243 1.00 0.44 H new ATOM 0 HA ARG A 73 1.203 -17.282 -3.948 1.00 0.48 H new ATOM 0 HB2 ARG A 73 0.608 -14.977 -2.744 1.00 0.43 H new ATOM 0 HB3 ARG A 73 0.492 -15.995 -1.322 1.00 0.43 H new ATOM 0 HG2 ARG A 73 2.791 -16.863 -1.720 1.00 0.53 H new ATOM 0 HG3 ARG A 73 2.910 -15.932 -3.200 1.00 0.53 H new ATOM 0 HD2 ARG A 73 2.328 -13.855 -1.671 1.00 0.62 H new ATOM 0 HD3 ARG A 73 2.772 -14.903 -0.338 1.00 0.62 H new ATOM 0 HE ARG A 73 4.640 -13.644 -2.212 1.00 0.89 H new ATOM 0 HH11 ARG A 73 3.935 -16.519 -0.356 1.00 2.23 H new ATOM 0 HH12 ARG A 73 5.632 -16.985 -0.199 1.00 2.23 H new ATOM 0 HH21 ARG A 73 6.810 -14.238 -2.011 1.00 1.70 H new ATOM 0 HH22 ARG A 73 7.246 -15.705 -1.128 1.00 1.70 H new ATOM 1167 N ASP A 74 0.637 -19.472 -2.831 1.00 0.60 N ATOM 1168 CA ASP A 74 0.471 -20.762 -2.092 1.00 0.68 C ATOM 1169 C ASP A 74 -0.923 -21.339 -2.363 1.00 0.68 C ATOM 1170 O ASP A 74 -1.547 -21.913 -1.493 1.00 0.69 O ATOM 1171 CB ASP A 74 0.659 -20.551 -0.590 1.00 0.68 C ATOM 1172 CG ASP A 74 1.209 -21.832 0.041 1.00 0.79 C ATOM 1173 OD1 ASP A 74 0.754 -22.899 -0.340 1.00 1.38 O ATOM 1174 OD2 ASP A 74 2.075 -21.724 0.893 1.00 1.27 O ATOM 0 H ASP A 74 1.078 -19.565 -3.746 1.00 0.60 H new ATOM 0 HA ASP A 74 1.229 -21.462 -2.442 1.00 0.68 H new ATOM 0 HB2 ASP A 74 1.344 -19.722 -0.411 1.00 0.68 H new ATOM 0 HB3 ASP A 74 -0.291 -20.284 -0.128 1.00 0.68 H new ATOM 1179 N ARG A 75 -1.418 -21.183 -3.567 1.00 0.67 N ATOM 1180 CA ARG A 75 -2.776 -21.713 -3.913 1.00 0.69 C ATOM 1181 C ARG A 75 -3.830 -20.986 -3.078 1.00 0.59 C ATOM 1182 O ARG A 75 -4.862 -21.525 -2.735 1.00 0.64 O ATOM 1183 CB ARG A 75 -2.840 -23.228 -3.665 1.00 0.79 C ATOM 1184 CG ARG A 75 -2.874 -23.954 -5.011 1.00 0.87 C ATOM 1185 CD ARG A 75 -1.630 -23.582 -5.816 1.00 0.85 C ATOM 1186 NE ARG A 75 -1.057 -24.807 -6.442 1.00 1.25 N ATOM 1187 CZ ARG A 75 -0.391 -25.660 -5.714 1.00 1.89 C ATOM 1188 NH1 ARG A 75 -0.227 -25.442 -4.438 1.00 2.62 N ATOM 1189 NH2 ARG A 75 0.112 -26.733 -6.263 1.00 2.29 N ATOM 0 H ARG A 75 -0.937 -20.708 -4.331 1.00 0.67 H new ATOM 0 HA ARG A 75 -2.973 -21.537 -4.970 1.00 0.69 H new ATOM 0 HB2 ARG A 75 -1.975 -23.551 -3.085 1.00 0.79 H new ATOM 0 HB3 ARG A 75 -3.726 -23.476 -3.081 1.00 0.79 H new ATOM 0 HG2 ARG A 75 -2.911 -25.032 -4.855 1.00 0.87 H new ATOM 0 HG3 ARG A 75 -3.774 -23.680 -5.562 1.00 0.87 H new ATOM 0 HD2 ARG A 75 -1.886 -22.854 -6.585 1.00 0.85 H new ATOM 0 HD3 ARG A 75 -0.891 -23.113 -5.167 1.00 0.85 H new ATOM 0 HE ARG A 75 -1.186 -24.978 -7.439 1.00 1.25 H new ATOM 0 HH11 ARG A 75 -0.620 -24.604 -4.009 1.00 2.62 H new ATOM 0 HH12 ARG A 75 0.294 -26.110 -3.869 1.00 2.62 H new ATOM 0 HH21 ARG A 75 -0.016 -26.903 -7.260 1.00 2.29 H new ATOM 0 HH22 ARG A 75 0.633 -27.401 -5.694 1.00 2.29 H new ATOM 1203 N ARG A 76 -3.579 -19.747 -2.778 1.00 0.46 N ATOM 1204 CA ARG A 76 -4.559 -18.953 -1.986 1.00 0.38 C ATOM 1205 C ARG A 76 -4.431 -17.486 -2.381 1.00 0.34 C ATOM 1206 O ARG A 76 -3.373 -17.033 -2.769 1.00 0.34 O ATOM 1207 CB ARG A 76 -4.268 -19.083 -0.485 1.00 0.37 C ATOM 1208 CG ARG A 76 -4.679 -20.467 0.041 1.00 0.63 C ATOM 1209 CD ARG A 76 -6.192 -20.666 -0.097 1.00 1.28 C ATOM 1210 NE ARG A 76 -6.680 -21.530 1.015 1.00 1.50 N ATOM 1211 CZ ARG A 76 -6.553 -22.828 0.937 1.00 2.36 C ATOM 1212 NH1 ARG A 76 -5.997 -23.368 -0.113 1.00 3.15 N ATOM 1213 NH2 ARG A 76 -6.982 -23.584 1.911 1.00 2.82 N ATOM 0 H ARG A 76 -2.733 -19.245 -3.048 1.00 0.46 H new ATOM 0 HA ARG A 76 -5.564 -19.324 -2.188 1.00 0.38 H new ATOM 0 HB2 ARG A 76 -3.206 -18.922 -0.302 1.00 0.37 H new ATOM 0 HB3 ARG A 76 -4.806 -18.308 0.061 1.00 0.37 H new ATOM 0 HG2 ARG A 76 -4.152 -21.244 -0.513 1.00 0.63 H new ATOM 0 HG3 ARG A 76 -4.387 -20.567 1.086 1.00 0.63 H new ATOM 0 HD2 ARG A 76 -6.701 -19.702 -0.074 1.00 1.28 H new ATOM 0 HD3 ARG A 76 -6.424 -21.125 -1.058 1.00 1.28 H new ATOM 0 HE ARG A 76 -7.113 -21.108 1.837 1.00 1.50 H new ATOM 0 HH11 ARG A 76 -5.661 -22.777 -0.873 1.00 3.15 H new ATOM 0 HH12 ARG A 76 -5.898 -24.381 -0.173 1.00 3.15 H new ATOM 0 HH21 ARG A 76 -7.416 -23.161 2.732 1.00 2.82 H new ATOM 0 HH22 ARG A 76 -6.883 -24.597 1.851 1.00 2.82 H new ATOM 1227 N ARG A 77 -5.497 -16.739 -2.307 1.00 0.32 N ATOM 1228 CA ARG A 77 -5.404 -15.311 -2.712 1.00 0.31 C ATOM 1229 C ARG A 77 -4.929 -14.472 -1.549 1.00 0.27 C ATOM 1230 O ARG A 77 -5.329 -14.643 -0.415 1.00 0.29 O ATOM 1231 CB ARG A 77 -6.757 -14.785 -3.187 1.00 0.34 C ATOM 1232 CG ARG A 77 -6.597 -13.325 -3.639 1.00 0.58 C ATOM 1233 CD ARG A 77 -7.165 -13.154 -5.046 1.00 0.47 C ATOM 1234 NE ARG A 77 -8.511 -13.788 -5.124 1.00 1.21 N ATOM 1235 CZ ARG A 77 -8.990 -14.162 -6.279 1.00 1.57 C ATOM 1236 NH1 ARG A 77 -8.296 -13.969 -7.367 1.00 1.85 N ATOM 1237 NH2 ARG A 77 -10.165 -14.725 -6.344 1.00 2.44 N ATOM 0 H ARG A 77 -6.415 -17.050 -1.989 1.00 0.32 H new ATOM 0 HA ARG A 77 -4.691 -15.243 -3.534 1.00 0.31 H new ATOM 0 HB2 ARG A 77 -7.130 -15.395 -4.010 1.00 0.34 H new ATOM 0 HB3 ARG A 77 -7.490 -14.852 -2.383 1.00 0.34 H new ATOM 0 HG2 ARG A 77 -7.113 -12.661 -2.945 1.00 0.58 H new ATOM 0 HG3 ARG A 77 -5.544 -13.044 -3.625 1.00 0.58 H new ATOM 0 HD2 ARG A 77 -7.236 -12.095 -5.294 1.00 0.47 H new ATOM 0 HD3 ARG A 77 -6.496 -13.608 -5.777 1.00 0.47 H new ATOM 0 HE ARG A 77 -9.058 -13.930 -4.275 1.00 1.21 H new ATOM 0 HH11 ARG A 77 -7.379 -13.526 -7.315 1.00 1.85 H new ATOM 0 HH12 ARG A 77 -8.671 -14.261 -8.269 1.00 1.85 H new ATOM 0 HH21 ARG A 77 -10.708 -14.872 -5.493 1.00 2.44 H new ATOM 0 HH22 ARG A 77 -10.541 -15.018 -7.246 1.00 2.44 H new ATOM 1251 N ILE A 78 -4.047 -13.575 -1.845 1.00 0.23 N ATOM 1252 CA ILE A 78 -3.475 -12.706 -0.806 1.00 0.20 C ATOM 1253 C ILE A 78 -3.271 -11.308 -1.391 1.00 0.19 C ATOM 1254 O ILE A 78 -3.219 -11.125 -2.590 1.00 0.21 O ATOM 1255 CB ILE A 78 -2.151 -13.312 -0.383 1.00 0.20 C ATOM 1256 CG1 ILE A 78 -1.389 -12.334 0.456 1.00 0.21 C ATOM 1257 CG2 ILE A 78 -1.327 -13.644 -1.617 1.00 0.23 C ATOM 1258 CD1 ILE A 78 -0.268 -13.060 1.204 1.00 0.23 C ATOM 0 H ILE A 78 -3.692 -13.406 -2.786 1.00 0.23 H new ATOM 0 HA ILE A 78 -4.134 -12.624 0.058 1.00 0.20 H new ATOM 0 HB ILE A 78 -2.344 -14.218 0.192 1.00 0.20 H new ATOM 0 HG12 ILE A 78 -0.970 -11.549 -0.173 1.00 0.21 H new ATOM 0 HG13 ILE A 78 -2.059 -11.850 1.166 1.00 0.21 H new ATOM 0 HG21 ILE A 78 -0.375 -14.080 -1.313 1.00 0.23 H new ATOM 0 HG22 ILE A 78 -1.871 -14.357 -2.237 1.00 0.23 H new ATOM 0 HG23 ILE A 78 -1.143 -12.734 -2.188 1.00 0.23 H new ATOM 0 HD11 ILE A 78 0.285 -12.345 1.814 1.00 0.23 H new ATOM 0 HD12 ILE A 78 -0.698 -13.829 1.846 1.00 0.23 H new ATOM 0 HD13 ILE A 78 0.408 -13.523 0.486 1.00 0.23 H new ATOM 1270 N SER A 79 -3.229 -10.319 -0.553 1.00 0.20 N ATOM 1271 CA SER A 79 -3.114 -8.924 -1.049 1.00 0.22 C ATOM 1272 C SER A 79 -1.648 -8.523 -1.235 1.00 0.19 C ATOM 1273 O SER A 79 -0.754 -9.064 -0.615 1.00 0.22 O ATOM 1274 CB SER A 79 -3.766 -7.992 -0.027 1.00 0.28 C ATOM 1275 OG SER A 79 -2.848 -6.976 0.343 1.00 0.74 O ATOM 0 H SER A 79 -3.270 -10.416 0.462 1.00 0.20 H new ATOM 0 HA SER A 79 -3.612 -8.849 -2.016 1.00 0.22 H new ATOM 0 HB2 SER A 79 -4.667 -7.546 -0.449 1.00 0.28 H new ATOM 0 HB3 SER A 79 -4.072 -8.558 0.853 1.00 0.28 H new ATOM 0 HG SER A 79 -3.104 -6.604 1.213 1.00 0.74 H new ATOM 1281 N TYR A 80 -1.407 -7.560 -2.092 1.00 0.19 N ATOM 1282 CA TYR A 80 -0.005 -7.105 -2.324 1.00 0.25 C ATOM 1283 C TYR A 80 0.028 -5.610 -2.621 1.00 0.22 C ATOM 1284 O TYR A 80 -0.930 -5.030 -3.095 1.00 0.21 O ATOM 1285 CB TYR A 80 0.659 -7.911 -3.466 1.00 0.40 C ATOM 1286 CG TYR A 80 0.093 -7.541 -4.826 1.00 0.93 C ATOM 1287 CD1 TYR A 80 0.420 -6.315 -5.428 1.00 1.68 C ATOM 1288 CD2 TYR A 80 -0.746 -8.439 -5.500 1.00 1.82 C ATOM 1289 CE1 TYR A 80 -0.102 -5.993 -6.686 1.00 2.66 C ATOM 1290 CE2 TYR A 80 -1.261 -8.102 -6.762 1.00 2.78 C ATOM 1291 CZ TYR A 80 -0.940 -6.882 -7.348 1.00 3.08 C ATOM 1292 OH TYR A 80 -1.451 -6.558 -8.587 1.00 4.16 O ATOM 0 H TYR A 80 -2.118 -7.073 -2.637 1.00 0.19 H new ATOM 0 HA TYR A 80 0.567 -7.286 -1.414 1.00 0.25 H new ATOM 0 HB2 TYR A 80 1.734 -7.731 -3.459 1.00 0.40 H new ATOM 0 HB3 TYR A 80 0.513 -8.977 -3.290 1.00 0.40 H new ATOM 0 HD1 TYR A 80 1.074 -5.621 -4.921 1.00 1.68 H new ATOM 0 HD2 TYR A 80 -0.996 -9.388 -5.050 1.00 1.82 H new ATOM 0 HE1 TYR A 80 0.148 -5.048 -7.145 1.00 2.66 H new ATOM 0 HE2 TYR A 80 -1.909 -8.793 -7.280 1.00 2.78 H new ATOM 0 HH TYR A 80 -2.017 -7.290 -8.909 1.00 4.16 H new ATOM 1302 N ILE A 81 1.141 -4.987 -2.324 1.00 0.25 N ATOM 1303 CA ILE A 81 1.293 -3.521 -2.553 1.00 0.27 C ATOM 1304 C ILE A 81 2.521 -3.253 -3.410 1.00 0.25 C ATOM 1305 O ILE A 81 3.601 -3.750 -3.145 1.00 0.26 O ATOM 1306 CB ILE A 81 1.493 -2.814 -1.214 1.00 0.34 C ATOM 1307 CG1 ILE A 81 1.567 -1.300 -1.426 1.00 0.76 C ATOM 1308 CG2 ILE A 81 2.809 -3.287 -0.588 1.00 0.92 C ATOM 1309 CD1 ILE A 81 1.718 -0.605 -0.074 1.00 0.69 C ATOM 0 H ILE A 81 1.963 -5.442 -1.926 1.00 0.25 H new ATOM 0 HA ILE A 81 0.397 -3.153 -3.053 1.00 0.27 H new ATOM 0 HB ILE A 81 0.654 -3.049 -0.559 1.00 0.34 H new ATOM 0 HG12 ILE A 81 2.411 -1.053 -2.071 1.00 0.76 H new ATOM 0 HG13 ILE A 81 0.667 -0.948 -1.930 1.00 0.76 H new ATOM 0 HG21 ILE A 81 2.958 -2.786 0.368 1.00 0.92 H new ATOM 0 HG22 ILE A 81 2.770 -4.365 -0.431 1.00 0.92 H new ATOM 0 HG23 ILE A 81 3.636 -3.047 -1.256 1.00 0.92 H new ATOM 0 HD11 ILE A 81 1.771 0.473 -0.223 1.00 0.69 H new ATOM 0 HD12 ILE A 81 0.860 -0.843 0.555 1.00 0.69 H new ATOM 0 HD13 ILE A 81 2.631 -0.949 0.412 1.00 0.69 H new ATOM 1321 N LEU A 82 2.367 -2.442 -4.411 1.00 0.25 N ATOM 1322 CA LEU A 82 3.512 -2.084 -5.283 1.00 0.25 C ATOM 1323 C LEU A 82 3.892 -0.650 -4.942 1.00 0.25 C ATOM 1324 O LEU A 82 3.067 0.236 -5.042 1.00 0.29 O ATOM 1325 CB LEU A 82 3.071 -2.162 -6.744 1.00 0.29 C ATOM 1326 CG LEU A 82 2.193 -3.394 -6.953 1.00 0.32 C ATOM 1327 CD1 LEU A 82 1.782 -3.484 -8.426 1.00 0.36 C ATOM 1328 CD2 LEU A 82 2.983 -4.648 -6.571 1.00 0.32 C ATOM 0 H LEU A 82 1.482 -2.005 -4.666 1.00 0.25 H new ATOM 0 HA LEU A 82 4.355 -2.759 -5.133 1.00 0.25 H new ATOM 0 HB2 LEU A 82 2.521 -1.261 -7.016 1.00 0.29 H new ATOM 0 HB3 LEU A 82 3.944 -2.211 -7.395 1.00 0.29 H new ATOM 0 HG LEU A 82 1.302 -3.317 -6.330 1.00 0.32 H new ATOM 0 HD11 LEU A 82 1.155 -4.363 -8.576 1.00 0.36 H new ATOM 0 HD12 LEU A 82 1.224 -2.589 -8.703 1.00 0.36 H new ATOM 0 HD13 LEU A 82 2.673 -3.564 -9.048 1.00 0.36 H new ATOM 0 HD21 LEU A 82 2.360 -5.530 -6.719 1.00 0.32 H new ATOM 0 HD22 LEU A 82 3.872 -4.723 -7.197 1.00 0.32 H new ATOM 0 HD23 LEU A 82 3.281 -4.586 -5.524 1.00 0.32 H new ATOM 1340 N LEU A 83 5.107 -0.404 -4.512 1.00 0.22 N ATOM 1341 CA LEU A 83 5.482 0.991 -4.142 1.00 0.23 C ATOM 1342 C LEU A 83 6.777 1.402 -4.840 1.00 0.21 C ATOM 1343 O LEU A 83 7.800 0.754 -4.733 1.00 0.20 O ATOM 1344 CB LEU A 83 5.650 1.084 -2.625 1.00 0.23 C ATOM 1345 CG LEU A 83 6.151 2.477 -2.247 1.00 0.52 C ATOM 1346 CD1 LEU A 83 5.367 3.001 -1.042 1.00 0.52 C ATOM 1347 CD2 LEU A 83 7.631 2.390 -1.893 1.00 0.98 C ATOM 0 H LEU A 83 5.844 -1.101 -4.403 1.00 0.22 H new ATOM 0 HA LEU A 83 4.691 1.669 -4.463 1.00 0.23 H new ATOM 0 HB2 LEU A 83 4.699 0.882 -2.131 1.00 0.23 H new ATOM 0 HB3 LEU A 83 6.355 0.327 -2.280 1.00 0.23 H new ATOM 0 HG LEU A 83 6.009 3.158 -3.086 1.00 0.52 H new ATOM 0 HD11 LEU A 83 5.728 3.995 -0.777 1.00 0.52 H new ATOM 0 HD12 LEU A 83 4.308 3.055 -1.293 1.00 0.52 H new ATOM 0 HD13 LEU A 83 5.506 2.327 -0.197 1.00 0.52 H new ATOM 0 HD21 LEU A 83 7.999 3.379 -1.622 1.00 0.98 H new ATOM 0 HD22 LEU A 83 7.765 1.710 -1.052 1.00 0.98 H new ATOM 0 HD23 LEU A 83 8.189 2.018 -2.752 1.00 0.98 H new ATOM 1359 N ARG A 84 6.713 2.493 -5.553 1.00 0.22 N ATOM 1360 CA ARG A 84 7.903 2.997 -6.278 1.00 0.21 C ATOM 1361 C ARG A 84 8.526 4.150 -5.494 1.00 0.21 C ATOM 1362 O ARG A 84 7.961 4.627 -4.534 1.00 0.23 O ATOM 1363 CB ARG A 84 7.495 3.453 -7.678 1.00 0.23 C ATOM 1364 CG ARG A 84 8.566 2.997 -8.670 1.00 0.25 C ATOM 1365 CD ARG A 84 8.253 3.504 -10.076 1.00 0.31 C ATOM 1366 NE ARG A 84 9.308 3.042 -11.020 1.00 0.40 N ATOM 1367 CZ ARG A 84 9.232 3.352 -12.286 1.00 0.48 C ATOM 1368 NH1 ARG A 84 8.235 4.074 -12.720 1.00 0.49 N ATOM 1369 NH2 ARG A 84 10.150 2.942 -13.116 1.00 0.58 N ATOM 0 H ARG A 84 5.873 3.061 -5.662 1.00 0.22 H new ATOM 0 HA ARG A 84 8.642 2.201 -6.374 1.00 0.21 H new ATOM 0 HB2 ARG A 84 6.526 3.031 -7.946 1.00 0.23 H new ATOM 0 HB3 ARG A 84 7.389 4.537 -7.707 1.00 0.23 H new ATOM 0 HG2 ARG A 84 9.542 3.366 -8.354 1.00 0.25 H new ATOM 0 HG3 ARG A 84 8.624 1.909 -8.675 1.00 0.25 H new ATOM 0 HD2 ARG A 84 7.278 3.138 -10.397 1.00 0.31 H new ATOM 0 HD3 ARG A 84 8.201 4.593 -10.078 1.00 0.31 H new ATOM 0 HE ARG A 84 10.090 2.483 -10.678 1.00 0.40 H new ATOM 0 HH11 ARG A 84 7.517 4.395 -12.070 1.00 0.49 H new ATOM 0 HH12 ARG A 84 8.174 4.317 -13.709 1.00 0.49 H new ATOM 0 HH21 ARG A 84 10.929 2.378 -12.777 1.00 0.58 H new ATOM 0 HH22 ARG A 84 10.089 3.185 -14.105 1.00 0.58 H new ATOM 1383 N LEU A 85 9.677 4.612 -5.904 1.00 0.20 N ATOM 1384 CA LEU A 85 10.305 5.754 -5.166 1.00 0.21 C ATOM 1385 C LEU A 85 11.326 6.469 -6.031 1.00 0.21 C ATOM 1386 O LEU A 85 12.044 5.860 -6.780 1.00 0.22 O ATOM 1387 CB LEU A 85 11.018 5.248 -3.913 1.00 0.23 C ATOM 1388 CG LEU A 85 10.847 6.247 -2.763 1.00 0.53 C ATOM 1389 CD1 LEU A 85 9.500 6.045 -2.068 1.00 1.39 C ATOM 1390 CD2 LEU A 85 11.969 6.032 -1.748 1.00 0.94 C ATOM 0 H LEU A 85 10.204 4.258 -6.702 1.00 0.20 H new ATOM 0 HA LEU A 85 9.506 6.445 -4.897 1.00 0.21 H new ATOM 0 HB2 LEU A 85 10.615 4.278 -3.624 1.00 0.23 H new ATOM 0 HB3 LEU A 85 12.078 5.103 -4.123 1.00 0.23 H new ATOM 0 HG LEU A 85 10.885 7.259 -3.166 1.00 0.53 H new ATOM 0 HD11 LEU A 85 9.399 6.764 -1.255 1.00 1.39 H new ATOM 0 HD12 LEU A 85 8.694 6.194 -2.786 1.00 1.39 H new ATOM 0 HD13 LEU A 85 9.446 5.033 -1.666 1.00 1.39 H new ATOM 0 HD21 LEU A 85 11.856 6.738 -0.926 1.00 0.94 H new ATOM 0 HD22 LEU A 85 11.920 5.014 -1.361 1.00 0.94 H new ATOM 0 HD23 LEU A 85 12.933 6.190 -2.232 1.00 0.94 H new ATOM 1402 N LYS A 86 11.391 7.764 -5.901 1.00 0.22 N ATOM 1403 CA LYS A 86 12.375 8.573 -6.685 1.00 0.24 C ATOM 1404 C LYS A 86 13.311 9.280 -5.715 1.00 0.23 C ATOM 1405 O LYS A 86 12.897 9.737 -4.677 1.00 0.28 O ATOM 1406 CB LYS A 86 11.624 9.630 -7.500 1.00 0.27 C ATOM 1407 CG LYS A 86 12.483 10.147 -8.675 1.00 0.38 C ATOM 1408 CD LYS A 86 13.444 11.263 -8.217 1.00 0.72 C ATOM 1409 CE LYS A 86 13.060 12.585 -8.890 1.00 0.72 C ATOM 1410 NZ LYS A 86 13.793 13.706 -8.237 1.00 1.42 N ATOM 0 H LYS A 86 10.796 8.308 -5.276 1.00 0.22 H new ATOM 0 HA LYS A 86 12.940 7.922 -7.352 1.00 0.24 H new ATOM 0 HB2 LYS A 86 10.697 9.205 -7.884 1.00 0.27 H new ATOM 0 HB3 LYS A 86 11.349 10.463 -6.853 1.00 0.27 H new ATOM 0 HG2 LYS A 86 13.056 9.323 -9.100 1.00 0.38 H new ATOM 0 HG3 LYS A 86 11.834 10.525 -9.465 1.00 0.38 H new ATOM 0 HD2 LYS A 86 13.402 11.370 -7.133 1.00 0.72 H new ATOM 0 HD3 LYS A 86 14.471 10.999 -8.472 1.00 0.72 H new ATOM 0 HE2 LYS A 86 13.302 12.548 -9.952 1.00 0.72 H new ATOM 0 HE3 LYS A 86 11.985 12.746 -8.813 1.00 0.72 H new ATOM 0 HZ1 LYS A 86 13.133 14.259 -7.653 1.00 1.42 H new ATOM 0 HZ2 LYS A 86 14.550 13.322 -7.635 1.00 1.42 H new ATOM 0 HZ3 LYS A 86 14.208 14.320 -8.966 1.00 1.42 H new ATOM 1424 N ARG A 87 14.564 9.390 -6.051 1.00 0.24 N ATOM 1425 CA ARG A 87 15.518 10.093 -5.143 1.00 0.24 C ATOM 1426 C ARG A 87 15.831 11.482 -5.699 1.00 0.26 C ATOM 1427 O ARG A 87 16.020 11.658 -6.886 1.00 0.28 O ATOM 1428 CB ARG A 87 16.804 9.287 -5.046 1.00 0.27 C ATOM 1429 CG ARG A 87 17.605 9.733 -3.832 1.00 0.62 C ATOM 1430 CD ARG A 87 17.177 8.924 -2.602 1.00 0.43 C ATOM 1431 NE ARG A 87 17.625 7.512 -2.740 1.00 0.48 N ATOM 1432 CZ ARG A 87 17.255 6.628 -1.851 1.00 0.80 C ATOM 1433 NH1 ARG A 87 16.523 6.997 -0.835 1.00 1.64 N ATOM 1434 NH2 ARG A 87 17.617 5.380 -1.976 1.00 0.86 N ATOM 0 H ARG A 87 14.971 9.026 -6.912 1.00 0.24 H new ATOM 0 HA ARG A 87 15.070 10.193 -4.154 1.00 0.24 H new ATOM 0 HB2 ARG A 87 16.573 8.225 -4.969 1.00 0.27 H new ATOM 0 HB3 ARG A 87 17.396 9.420 -5.952 1.00 0.27 H new ATOM 0 HG2 ARG A 87 18.670 9.595 -4.017 1.00 0.62 H new ATOM 0 HG3 ARG A 87 17.448 10.796 -3.652 1.00 0.62 H new ATOM 0 HD2 ARG A 87 17.605 9.363 -1.701 1.00 0.43 H new ATOM 0 HD3 ARG A 87 16.093 8.961 -2.491 1.00 0.43 H new ATOM 0 HE ARG A 87 18.217 7.236 -3.523 1.00 0.48 H new ATOM 0 HH11 ARG A 87 16.242 7.972 -0.737 1.00 1.64 H new ATOM 0 HH12 ARG A 87 16.232 6.310 -0.139 1.00 1.64 H new ATOM 0 HH21 ARG A 87 18.190 5.092 -2.769 1.00 0.86 H new ATOM 0 HH22 ARG A 87 17.327 4.693 -1.281 1.00 0.86 H new ATOM 1448 N VAL A 88 15.893 12.465 -4.838 1.00 0.27 N ATOM 1449 CA VAL A 88 16.199 13.857 -5.285 1.00 0.30 C ATOM 1450 C VAL A 88 17.503 14.315 -4.633 1.00 0.31 C ATOM 1451 O VAL A 88 18.034 15.360 -4.948 1.00 0.35 O ATOM 1452 CB VAL A 88 15.066 14.791 -4.863 1.00 0.31 C ATOM 1453 CG1 VAL A 88 14.965 15.954 -5.851 1.00 0.49 C ATOM 1454 CG2 VAL A 88 13.742 14.022 -4.847 1.00 0.63 C ATOM 0 H VAL A 88 15.743 12.361 -3.834 1.00 0.27 H new ATOM 0 HA VAL A 88 16.300 13.880 -6.370 1.00 0.30 H new ATOM 0 HB VAL A 88 15.273 15.177 -3.865 1.00 0.31 H new ATOM 0 HG11 VAL A 88 14.156 16.619 -5.548 1.00 0.49 H new ATOM 0 HG12 VAL A 88 15.905 16.506 -5.860 1.00 0.49 H new ATOM 0 HG13 VAL A 88 14.762 15.567 -6.849 1.00 0.49 H new ATOM 0 HG21 VAL A 88 12.936 14.691 -4.546 1.00 0.63 H new ATOM 0 HG22 VAL A 88 13.536 13.632 -5.844 1.00 0.63 H new ATOM 0 HG23 VAL A 88 13.810 13.195 -4.140 1.00 0.63 H new ATOM 1464 N TYR A 89 18.025 13.530 -3.733 1.00 0.31 N ATOM 1465 CA TYR A 89 19.300 13.910 -3.069 1.00 0.37 C ATOM 1466 C TYR A 89 19.861 12.706 -2.308 1.00 0.49 C ATOM 1467 O TYR A 89 19.311 11.627 -2.458 1.00 1.12 O ATOM 1468 CB TYR A 89 19.050 15.061 -2.092 1.00 0.35 C ATOM 1469 CG TYR A 89 20.267 15.956 -2.051 1.00 0.51 C ATOM 1470 CD1 TYR A 89 20.510 16.856 -3.096 1.00 1.46 C ATOM 1471 CD2 TYR A 89 21.153 15.886 -0.968 1.00 1.13 C ATOM 1472 CE1 TYR A 89 21.638 17.685 -3.058 1.00 1.76 C ATOM 1473 CE2 TYR A 89 22.280 16.715 -0.930 1.00 1.28 C ATOM 1474 CZ TYR A 89 22.522 17.614 -1.975 1.00 1.27 C ATOM 1475 OH TYR A 89 23.634 18.431 -1.939 1.00 1.67 O ATOM 1476 OXT TYR A 89 20.829 12.884 -1.589 1.00 1.00 O ATOM 0 H TYR A 89 17.624 12.643 -3.429 1.00 0.31 H new ATOM 0 HA TYR A 89 20.018 14.228 -3.825 1.00 0.37 H new ATOM 0 HB2 TYR A 89 18.175 15.632 -2.402 1.00 0.35 H new ATOM 0 HB3 TYR A 89 18.839 14.669 -1.097 1.00 0.35 H new ATOM 0 HD1 TYR A 89 19.827 16.911 -3.931 1.00 1.46 H new ATOM 0 HD2 TYR A 89 20.966 15.192 -0.162 1.00 1.13 H new ATOM 0 HE1 TYR A 89 21.826 18.379 -3.864 1.00 1.76 H new ATOM 0 HE2 TYR A 89 22.963 16.661 -0.095 1.00 1.28 H new ATOM 0 HH TYR A 89 24.142 18.257 -1.119 1.00 1.67 H new TER 1486 TYR A 89 ATOM 1487 N MET B 1 -25.189 14.430 1.790 1.00 3.96 N ATOM 1488 CA MET B 1 -24.065 15.223 2.366 1.00 3.21 C ATOM 1489 C MET B 1 -22.758 14.838 1.670 1.00 2.20 C ATOM 1490 O MET B 1 -21.880 15.659 1.489 1.00 2.41 O ATOM 1491 CB MET B 1 -23.948 14.931 3.863 1.00 3.93 C ATOM 1492 CG MET B 1 -25.299 15.168 4.540 1.00 4.72 C ATOM 1493 SD MET B 1 -25.031 15.779 6.222 1.00 5.70 S ATOM 1494 CE MET B 1 -26.688 16.457 6.485 1.00 6.35 C ATOM 0 H1 MET B 1 -26.091 14.905 1.998 1.00 3.96 H new ATOM 0 H2 MET B 1 -25.067 14.353 0.760 1.00 3.96 H new ATOM 0 H3 MET B 1 -25.194 13.479 2.210 1.00 3.96 H new ATOM 0 HA MET B 1 -24.258 16.285 2.216 1.00 3.21 H new ATOM 0 HB2 MET B 1 -23.628 13.901 4.019 1.00 3.93 H new ATOM 0 HB3 MET B 1 -23.188 15.572 4.310 1.00 3.93 H new ATOM 0 HG2 MET B 1 -25.883 15.889 3.968 1.00 4.72 H new ATOM 0 HG3 MET B 1 -25.873 14.242 4.565 1.00 4.72 H new ATOM 0 HE1 MET B 1 -26.748 16.894 7.482 1.00 6.35 H new ATOM 0 HE2 MET B 1 -26.889 17.226 5.739 1.00 6.35 H new ATOM 0 HE3 MET B 1 -27.426 15.660 6.393 1.00 6.35 H new ATOM 1506 N THR B 2 -22.623 13.597 1.284 1.00 1.60 N ATOM 1507 CA THR B 2 -21.373 13.150 0.603 1.00 1.14 C ATOM 1508 C THR B 2 -21.721 12.217 -0.556 1.00 0.94 C ATOM 1509 O THR B 2 -21.642 11.016 -0.437 1.00 1.61 O ATOM 1510 CB THR B 2 -20.489 12.392 1.596 1.00 1.83 C ATOM 1511 OG1 THR B 2 -21.196 11.260 2.084 1.00 2.42 O ATOM 1512 CG2 THR B 2 -20.119 13.306 2.764 1.00 2.32 C ATOM 0 H THR B 2 -23.328 12.871 1.412 1.00 1.60 H new ATOM 0 HA THR B 2 -20.843 14.025 0.227 1.00 1.14 H new ATOM 0 HB THR B 2 -19.577 12.067 1.094 1.00 1.83 H new ATOM 0 HG1 THR B 2 -21.696 10.845 1.350 1.00 2.42 H new ATOM 0 HG21 THR B 2 -19.490 12.761 3.467 1.00 2.32 H new ATOM 0 HG22 THR B 2 -19.577 14.174 2.389 1.00 2.32 H new ATOM 0 HG23 THR B 2 -21.027 13.636 3.269 1.00 2.32 H new ATOM 1520 N GLU B 3 -22.093 12.753 -1.681 1.00 0.88 N ATOM 1521 CA GLU B 3 -22.429 11.877 -2.840 1.00 0.65 C ATOM 1522 C GLU B 3 -21.136 11.405 -3.487 1.00 0.59 C ATOM 1523 O GLU B 3 -21.132 10.535 -4.324 1.00 0.81 O ATOM 1524 CB GLU B 3 -23.240 12.665 -3.867 1.00 0.93 C ATOM 1525 CG GLU B 3 -24.166 13.635 -3.145 1.00 0.89 C ATOM 1526 CD GLU B 3 -25.094 14.308 -4.158 1.00 1.04 C ATOM 1527 OE1 GLU B 3 -24.663 14.510 -5.281 1.00 1.56 O ATOM 1528 OE2 GLU B 3 -26.218 14.608 -3.794 1.00 1.68 O ATOM 0 H GLU B 3 -22.180 13.755 -1.851 1.00 0.88 H new ATOM 0 HA GLU B 3 -23.014 11.025 -2.495 1.00 0.65 H new ATOM 0 HB2 GLU B 3 -22.572 13.211 -4.533 1.00 0.93 H new ATOM 0 HB3 GLU B 3 -23.822 11.983 -4.488 1.00 0.93 H new ATOM 0 HG2 GLU B 3 -24.753 13.104 -2.396 1.00 0.89 H new ATOM 0 HG3 GLU B 3 -23.581 14.388 -2.617 1.00 0.89 H new ATOM 1535 N LYS B 4 -20.038 11.978 -3.104 1.00 0.65 N ATOM 1536 CA LYS B 4 -18.740 11.554 -3.703 1.00 0.57 C ATOM 1537 C LYS B 4 -17.604 11.793 -2.716 1.00 0.51 C ATOM 1538 O LYS B 4 -16.673 12.529 -2.977 1.00 0.47 O ATOM 1539 CB LYS B 4 -18.475 12.335 -4.989 1.00 0.60 C ATOM 1540 CG LYS B 4 -19.411 11.844 -6.104 1.00 1.06 C ATOM 1541 CD LYS B 4 -19.015 12.487 -7.440 1.00 1.25 C ATOM 1542 CE LYS B 4 -19.593 13.905 -7.534 1.00 1.83 C ATOM 1543 NZ LYS B 4 -20.775 13.898 -8.441 1.00 2.31 N ATOM 0 H LYS B 4 -19.977 12.719 -2.406 1.00 0.65 H new ATOM 0 HA LYS B 4 -18.794 10.490 -3.935 1.00 0.57 H new ATOM 0 HB2 LYS B 4 -18.630 13.400 -4.816 1.00 0.60 H new ATOM 0 HB3 LYS B 4 -17.436 12.209 -5.293 1.00 0.60 H new ATOM 0 HG2 LYS B 4 -19.358 10.758 -6.183 1.00 1.06 H new ATOM 0 HG3 LYS B 4 -20.443 12.096 -5.861 1.00 1.06 H new ATOM 0 HD2 LYS B 4 -17.929 12.522 -7.528 1.00 1.25 H new ATOM 0 HD3 LYS B 4 -19.383 11.880 -8.268 1.00 1.25 H new ATOM 0 HE2 LYS B 4 -19.882 14.258 -6.544 1.00 1.83 H new ATOM 0 HE3 LYS B 4 -18.836 14.594 -7.910 1.00 1.83 H new ATOM 0 HZ1 LYS B 4 -21.168 14.859 -8.506 1.00 2.31 H new ATOM 0 HZ2 LYS B 4 -20.485 13.578 -9.387 1.00 2.31 H new ATOM 0 HZ3 LYS B 4 -21.498 13.253 -8.064 1.00 2.31 H new ATOM 1557 N LEU B 5 -17.678 11.158 -1.587 1.00 0.55 N ATOM 1558 CA LEU B 5 -16.630 11.295 -0.556 1.00 0.57 C ATOM 1559 C LEU B 5 -16.816 10.107 0.374 1.00 0.76 C ATOM 1560 O LEU B 5 -17.924 9.640 0.545 1.00 1.59 O ATOM 1561 CB LEU B 5 -16.822 12.608 0.210 1.00 0.62 C ATOM 1562 CG LEU B 5 -15.469 13.300 0.408 1.00 0.90 C ATOM 1563 CD1 LEU B 5 -15.683 14.649 1.097 1.00 1.35 C ATOM 1564 CD2 LEU B 5 -14.561 12.423 1.275 1.00 1.62 C ATOM 0 H LEU B 5 -18.443 10.534 -1.332 1.00 0.55 H new ATOM 0 HA LEU B 5 -15.629 11.313 -0.988 1.00 0.57 H new ATOM 0 HB2 LEU B 5 -17.498 13.263 -0.339 1.00 0.62 H new ATOM 0 HB3 LEU B 5 -17.284 12.410 1.177 1.00 0.62 H new ATOM 0 HG LEU B 5 -14.999 13.456 -0.563 1.00 0.90 H new ATOM 0 HD11 LEU B 5 -14.721 15.142 1.238 1.00 1.35 H new ATOM 0 HD12 LEU B 5 -16.325 15.276 0.478 1.00 1.35 H new ATOM 0 HD13 LEU B 5 -16.156 14.491 2.066 1.00 1.35 H new ATOM 0 HD21 LEU B 5 -13.600 12.919 1.413 1.00 1.62 H new ATOM 0 HD22 LEU B 5 -15.029 12.263 2.246 1.00 1.62 H new ATOM 0 HD23 LEU B 5 -14.406 11.462 0.784 1.00 1.62 H new ATOM 1576 N ASN B 6 -15.793 9.649 1.038 1.00 0.33 N ATOM 1577 CA ASN B 6 -16.015 8.535 1.998 1.00 0.35 C ATOM 1578 C ASN B 6 -14.727 8.143 2.722 1.00 0.29 C ATOM 1579 O ASN B 6 -13.992 7.293 2.258 1.00 0.32 O ATOM 1580 CB ASN B 6 -16.567 7.287 1.292 1.00 0.52 C ATOM 1581 CG ASN B 6 -17.568 6.597 2.220 1.00 0.62 C ATOM 1582 OD1 ASN B 6 -17.271 5.561 2.778 1.00 1.46 O ATOM 1583 ND2 ASN B 6 -18.736 7.133 2.424 1.00 0.99 N ATOM 0 H ASN B 6 -14.834 9.988 0.961 1.00 0.33 H new ATOM 0 HA ASN B 6 -16.741 8.902 2.723 1.00 0.35 H new ATOM 0 HB2 ASN B 6 -17.051 7.566 0.356 1.00 0.52 H new ATOM 0 HB3 ASN B 6 -15.754 6.606 1.040 1.00 0.52 H new ATOM 0 HD21 ASN B 6 -19.401 6.682 3.053 1.00 0.99 H new ATOM 0 HD22 ASN B 6 -18.986 8.004 1.955 1.00 0.99 H new ATOM 1590 N GLU B 7 -14.435 8.706 3.854 1.00 0.28 N ATOM 1591 CA GLU B 7 -13.199 8.286 4.564 1.00 0.30 C ATOM 1592 C GLU B 7 -13.584 7.142 5.500 1.00 0.32 C ATOM 1593 O GLU B 7 -14.249 7.335 6.498 1.00 0.37 O ATOM 1594 CB GLU B 7 -12.630 9.461 5.352 1.00 0.36 C ATOM 1595 CG GLU B 7 -13.736 10.117 6.180 1.00 0.53 C ATOM 1596 CD GLU B 7 -13.332 10.124 7.657 1.00 0.76 C ATOM 1597 OE1 GLU B 7 -12.471 10.913 8.011 1.00 1.08 O ATOM 1598 OE2 GLU B 7 -13.891 9.342 8.408 1.00 1.49 O ATOM 0 H GLU B 7 -14.988 9.429 4.315 1.00 0.28 H new ATOM 0 HA GLU B 7 -12.433 7.958 3.861 1.00 0.30 H new ATOM 0 HB2 GLU B 7 -11.829 9.117 6.007 1.00 0.36 H new ATOM 0 HB3 GLU B 7 -12.193 10.190 4.670 1.00 0.36 H new ATOM 0 HG2 GLU B 7 -13.908 11.136 5.834 1.00 0.53 H new ATOM 0 HG3 GLU B 7 -14.672 9.574 6.051 1.00 0.53 H new ATOM 1605 N ILE B 8 -13.185 5.947 5.162 1.00 0.33 N ATOM 1606 CA ILE B 8 -13.540 4.760 5.996 1.00 0.38 C ATOM 1607 C ILE B 8 -12.273 4.042 6.459 1.00 0.34 C ATOM 1608 O ILE B 8 -11.304 3.909 5.734 1.00 0.34 O ATOM 1609 CB ILE B 8 -14.384 3.792 5.165 1.00 0.42 C ATOM 1610 CG1 ILE B 8 -15.583 4.533 4.548 1.00 0.47 C ATOM 1611 CG2 ILE B 8 -14.876 2.632 6.040 1.00 0.62 C ATOM 1612 CD1 ILE B 8 -16.464 5.171 5.635 1.00 1.17 C ATOM 0 H ILE B 8 -12.623 5.739 4.337 1.00 0.33 H new ATOM 0 HA ILE B 8 -14.102 5.096 6.867 1.00 0.38 H new ATOM 0 HB ILE B 8 -13.767 3.389 4.362 1.00 0.42 H new ATOM 0 HG12 ILE B 8 -15.225 5.305 3.867 1.00 0.47 H new ATOM 0 HG13 ILE B 8 -16.178 3.837 3.956 1.00 0.47 H new ATOM 0 HG21 ILE B 8 -15.475 1.950 5.437 1.00 0.62 H new ATOM 0 HG22 ILE B 8 -14.019 2.097 6.450 1.00 0.62 H new ATOM 0 HG23 ILE B 8 -15.483 3.024 6.856 1.00 0.62 H new ATOM 0 HD11 ILE B 8 -17.302 5.687 5.167 1.00 1.17 H new ATOM 0 HD12 ILE B 8 -16.841 4.394 6.300 1.00 1.17 H new ATOM 0 HD13 ILE B 8 -15.873 5.885 6.209 1.00 1.17 H new ATOM 1624 N VAL B 9 -12.301 3.572 7.665 1.00 0.32 N ATOM 1625 CA VAL B 9 -11.139 2.840 8.225 1.00 0.30 C ATOM 1626 C VAL B 9 -11.411 1.334 8.173 1.00 0.27 C ATOM 1627 O VAL B 9 -12.439 0.860 8.616 1.00 0.28 O ATOM 1628 CB VAL B 9 -10.929 3.273 9.675 1.00 0.34 C ATOM 1629 CG1 VAL B 9 -9.729 2.537 10.273 1.00 1.37 C ATOM 1630 CG2 VAL B 9 -10.675 4.782 9.723 1.00 1.27 C ATOM 0 H VAL B 9 -13.094 3.665 8.300 1.00 0.32 H new ATOM 0 HA VAL B 9 -10.246 3.064 7.642 1.00 0.30 H new ATOM 0 HB VAL B 9 -11.821 3.031 10.253 1.00 0.34 H new ATOM 0 HG11 VAL B 9 -9.587 2.852 11.307 1.00 1.37 H new ATOM 0 HG12 VAL B 9 -9.909 1.462 10.243 1.00 1.37 H new ATOM 0 HG13 VAL B 9 -8.834 2.771 9.696 1.00 1.37 H new ATOM 0 HG21 VAL B 9 -10.525 5.093 10.757 1.00 1.27 H new ATOM 0 HG22 VAL B 9 -9.785 5.020 9.140 1.00 1.27 H new ATOM 0 HG23 VAL B 9 -11.534 5.309 9.307 1.00 1.27 H new ATOM 1640 N VAL B 10 -10.496 0.583 7.636 1.00 0.24 N ATOM 1641 CA VAL B 10 -10.705 -0.887 7.557 1.00 0.22 C ATOM 1642 C VAL B 10 -10.164 -1.499 8.842 1.00 0.20 C ATOM 1643 O VAL B 10 -9.446 -0.854 9.581 1.00 0.21 O ATOM 1644 CB VAL B 10 -9.961 -1.460 6.344 1.00 0.22 C ATOM 1645 CG1 VAL B 10 -8.512 -1.765 6.720 1.00 0.34 C ATOM 1646 CG2 VAL B 10 -10.645 -2.750 5.888 1.00 0.37 C ATOM 0 H VAL B 10 -9.615 0.921 7.249 1.00 0.24 H new ATOM 0 HA VAL B 10 -11.764 -1.117 7.442 1.00 0.22 H new ATOM 0 HB VAL B 10 -9.979 -0.728 5.536 1.00 0.22 H new ATOM 0 HG11 VAL B 10 -7.989 -2.172 5.854 1.00 0.34 H new ATOM 0 HG12 VAL B 10 -8.019 -0.848 7.044 1.00 0.34 H new ATOM 0 HG13 VAL B 10 -8.492 -2.493 7.531 1.00 0.34 H new ATOM 0 HG21 VAL B 10 -10.116 -3.157 5.026 1.00 0.37 H new ATOM 0 HG22 VAL B 10 -10.629 -3.477 6.700 1.00 0.37 H new ATOM 0 HG23 VAL B 10 -11.678 -2.536 5.612 1.00 0.37 H new ATOM 1656 N ARG B 11 -10.516 -2.722 9.133 1.00 0.19 N ATOM 1657 CA ARG B 11 -10.033 -3.348 10.393 1.00 0.20 C ATOM 1658 C ARG B 11 -9.624 -4.791 10.138 1.00 0.21 C ATOM 1659 O ARG B 11 -9.805 -5.328 9.064 1.00 0.22 O ATOM 1660 CB ARG B 11 -11.146 -3.326 11.443 1.00 0.22 C ATOM 1661 CG ARG B 11 -11.996 -2.065 11.281 1.00 0.51 C ATOM 1662 CD ARG B 11 -12.829 -1.844 12.544 1.00 0.49 C ATOM 1663 NE ARG B 11 -14.093 -1.143 12.184 1.00 1.28 N ATOM 1664 CZ ARG B 11 -14.060 0.110 11.816 1.00 1.53 C ATOM 1665 NH1 ARG B 11 -12.921 0.747 11.774 1.00 1.59 N ATOM 1666 NH2 ARG B 11 -15.164 0.724 11.492 1.00 2.37 N ATOM 0 H ARG B 11 -11.115 -3.311 8.554 1.00 0.19 H new ATOM 0 HA ARG B 11 -9.173 -2.784 10.754 1.00 0.20 H new ATOM 0 HB2 ARG B 11 -11.772 -4.212 11.339 1.00 0.22 H new ATOM 0 HB3 ARG B 11 -10.714 -3.357 12.443 1.00 0.22 H new ATOM 0 HG2 ARG B 11 -11.355 -1.202 11.100 1.00 0.51 H new ATOM 0 HG3 ARG B 11 -12.650 -2.163 10.414 1.00 0.51 H new ATOM 0 HD2 ARG B 11 -13.052 -2.800 13.018 1.00 0.49 H new ATOM 0 HD3 ARG B 11 -12.265 -1.254 13.266 1.00 0.49 H new ATOM 0 HE ARG B 11 -14.983 -1.640 12.225 1.00 1.28 H new ATOM 0 HH11 ARG B 11 -12.058 0.266 12.028 1.00 1.59 H new ATOM 0 HH12 ARG B 11 -12.894 1.725 11.487 1.00 1.59 H new ATOM 0 HH21 ARG B 11 -16.053 0.226 11.526 1.00 2.37 H new ATOM 0 HH22 ARG B 11 -15.138 1.702 11.205 1.00 2.37 H new ATOM 1680 N LYS B 12 -9.081 -5.414 11.138 1.00 0.22 N ATOM 1681 CA LYS B 12 -8.650 -6.825 11.014 1.00 0.25 C ATOM 1682 C LYS B 12 -9.677 -7.694 11.721 1.00 0.25 C ATOM 1683 O LYS B 12 -9.643 -8.906 11.655 1.00 0.31 O ATOM 1684 CB LYS B 12 -7.298 -6.984 11.701 1.00 0.31 C ATOM 1685 CG LYS B 12 -7.470 -6.806 13.211 1.00 0.43 C ATOM 1686 CD LYS B 12 -6.253 -6.080 13.791 1.00 1.00 C ATOM 1687 CE LYS B 12 -6.157 -6.364 15.293 1.00 0.99 C ATOM 1688 NZ LYS B 12 -5.977 -7.827 15.513 1.00 1.75 N ATOM 0 H LYS B 12 -8.915 -4.996 12.053 1.00 0.22 H new ATOM 0 HA LYS B 12 -8.566 -7.115 9.967 1.00 0.25 H new ATOM 0 HB2 LYS B 12 -6.882 -7.968 11.485 1.00 0.31 H new ATOM 0 HB3 LYS B 12 -6.593 -6.248 11.315 1.00 0.31 H new ATOM 0 HG2 LYS B 12 -8.377 -6.237 13.418 1.00 0.43 H new ATOM 0 HG3 LYS B 12 -7.587 -7.778 13.690 1.00 0.43 H new ATOM 0 HD2 LYS B 12 -5.345 -6.412 13.288 1.00 1.00 H new ATOM 0 HD3 LYS B 12 -6.339 -5.007 13.618 1.00 1.00 H new ATOM 0 HE2 LYS B 12 -5.320 -5.815 15.725 1.00 0.99 H new ATOM 0 HE3 LYS B 12 -7.059 -6.018 15.797 1.00 0.99 H new ATOM 0 HZ1 LYS B 12 -5.565 -7.988 16.454 1.00 1.75 H new ATOM 0 HZ2 LYS B 12 -6.900 -8.303 15.453 1.00 1.75 H new ATOM 0 HZ3 LYS B 12 -5.341 -8.212 14.786 1.00 1.75 H new ATOM 1702 N THR B 13 -10.586 -7.070 12.415 1.00 0.25 N ATOM 1703 CA THR B 13 -11.612 -7.847 13.150 1.00 0.36 C ATOM 1704 C THR B 13 -12.783 -8.154 12.223 1.00 0.49 C ATOM 1705 O THR B 13 -13.592 -9.016 12.500 1.00 0.91 O ATOM 1706 CB THR B 13 -12.120 -7.042 14.350 1.00 0.45 C ATOM 1707 OG1 THR B 13 -13.325 -6.380 13.994 1.00 1.19 O ATOM 1708 CG2 THR B 13 -11.073 -6.009 14.766 1.00 1.07 C ATOM 0 H THR B 13 -10.660 -6.057 12.503 1.00 0.25 H new ATOM 0 HA THR B 13 -11.165 -8.777 13.501 1.00 0.36 H new ATOM 0 HB THR B 13 -12.304 -7.718 15.185 1.00 0.45 H new ATOM 0 HG1 THR B 13 -13.654 -5.865 14.760 1.00 1.19 H new ATOM 0 HG21 THR B 13 -11.442 -5.441 15.620 1.00 1.07 H new ATOM 0 HG22 THR B 13 -10.149 -6.518 15.041 1.00 1.07 H new ATOM 0 HG23 THR B 13 -10.881 -5.331 13.935 1.00 1.07 H new ATOM 1716 N LYS B 14 -12.864 -7.480 11.107 1.00 0.31 N ATOM 1717 CA LYS B 14 -13.963 -7.759 10.145 1.00 0.38 C ATOM 1718 C LYS B 14 -13.429 -8.692 9.060 1.00 0.44 C ATOM 1719 O LYS B 14 -13.001 -9.795 9.335 1.00 1.02 O ATOM 1720 CB LYS B 14 -14.444 -6.440 9.539 1.00 0.41 C ATOM 1721 CG LYS B 14 -15.363 -5.741 10.543 1.00 0.68 C ATOM 1722 CD LYS B 14 -15.077 -4.239 10.572 1.00 0.90 C ATOM 1723 CE LYS B 14 -15.885 -3.591 11.698 1.00 1.34 C ATOM 1724 NZ LYS B 14 -17.044 -4.459 12.053 1.00 1.47 N ATOM 0 H LYS B 14 -12.214 -6.747 10.822 1.00 0.31 H new ATOM 0 HA LYS B 14 -14.805 -8.237 10.645 1.00 0.38 H new ATOM 0 HB2 LYS B 14 -13.593 -5.802 9.299 1.00 0.41 H new ATOM 0 HB3 LYS B 14 -14.976 -6.625 8.606 1.00 0.41 H new ATOM 0 HG2 LYS B 14 -16.405 -5.914 10.274 1.00 0.68 H new ATOM 0 HG3 LYS B 14 -15.216 -6.165 11.536 1.00 0.68 H new ATOM 0 HD2 LYS B 14 -14.012 -4.063 10.725 1.00 0.90 H new ATOM 0 HD3 LYS B 14 -15.340 -3.789 9.615 1.00 0.90 H new ATOM 0 HE2 LYS B 14 -15.251 -3.440 12.572 1.00 1.34 H new ATOM 0 HE3 LYS B 14 -16.237 -2.608 11.386 1.00 1.34 H new ATOM 0 HZ1 LYS B 14 -17.646 -3.969 12.745 1.00 1.47 H new ATOM 0 HZ2 LYS B 14 -17.598 -4.665 11.197 1.00 1.47 H new ATOM 0 HZ3 LYS B 14 -16.698 -5.349 12.464 1.00 1.47 H new ATOM 1738 N ASN B 15 -13.435 -8.260 7.832 1.00 0.41 N ATOM 1739 CA ASN B 15 -12.913 -9.125 6.744 1.00 0.31 C ATOM 1740 C ASN B 15 -12.777 -8.288 5.479 1.00 0.26 C ATOM 1741 O ASN B 15 -13.244 -7.168 5.410 1.00 0.30 O ATOM 1742 CB ASN B 15 -13.880 -10.284 6.491 1.00 0.39 C ATOM 1743 CG ASN B 15 -13.414 -11.517 7.268 1.00 0.53 C ATOM 1744 OD1 ASN B 15 -14.022 -11.896 8.250 1.00 1.22 O ATOM 1745 ND2 ASN B 15 -12.356 -12.167 6.866 1.00 1.21 N ATOM 0 H ASN B 15 -13.779 -7.346 7.536 1.00 0.41 H new ATOM 0 HA ASN B 15 -11.943 -9.532 7.030 1.00 0.31 H new ATOM 0 HB2 ASN B 15 -14.887 -10.005 6.801 1.00 0.39 H new ATOM 0 HB3 ASN B 15 -13.925 -10.508 5.425 1.00 0.39 H new ATOM 0 HD21 ASN B 15 -12.040 -12.992 7.376 1.00 1.21 H new ATOM 0 HD22 ASN B 15 -11.845 -11.850 6.042 1.00 1.21 H new ATOM 1752 N VAL B 16 -12.154 -8.821 4.473 1.00 0.24 N ATOM 1753 CA VAL B 16 -12.010 -8.050 3.215 1.00 0.25 C ATOM 1754 C VAL B 16 -13.375 -7.983 2.539 1.00 0.24 C ATOM 1755 O VAL B 16 -13.737 -7.006 1.908 1.00 0.25 O ATOM 1756 CB VAL B 16 -11.017 -8.755 2.289 1.00 0.28 C ATOM 1757 CG1 VAL B 16 -9.793 -9.192 3.092 1.00 0.26 C ATOM 1758 CG2 VAL B 16 -11.683 -9.985 1.669 1.00 0.45 C ATOM 0 H VAL B 16 -11.740 -9.753 4.466 1.00 0.24 H new ATOM 0 HA VAL B 16 -11.642 -7.047 3.429 1.00 0.25 H new ATOM 0 HB VAL B 16 -10.709 -8.070 1.499 1.00 0.28 H new ATOM 0 HG11 VAL B 16 -9.085 -9.694 2.432 1.00 0.26 H new ATOM 0 HG12 VAL B 16 -9.317 -8.317 3.535 1.00 0.26 H new ATOM 0 HG13 VAL B 16 -10.102 -9.877 3.882 1.00 0.26 H new ATOM 0 HG21 VAL B 16 -10.976 -10.488 1.009 1.00 0.45 H new ATOM 0 HG22 VAL B 16 -11.991 -10.669 2.460 1.00 0.45 H new ATOM 0 HG23 VAL B 16 -12.557 -9.675 1.096 1.00 0.45 H new ATOM 1768 N GLU B 17 -14.152 -9.014 2.702 1.00 0.24 N ATOM 1769 CA GLU B 17 -15.499 -9.023 2.091 1.00 0.27 C ATOM 1770 C GLU B 17 -16.427 -8.153 2.921 1.00 0.28 C ATOM 1771 O GLU B 17 -17.243 -7.431 2.394 1.00 0.30 O ATOM 1772 CB GLU B 17 -16.048 -10.451 2.034 1.00 0.37 C ATOM 1773 CG GLU B 17 -16.587 -10.862 3.408 1.00 0.79 C ATOM 1774 CD GLU B 17 -16.754 -12.380 3.459 1.00 1.09 C ATOM 1775 OE1 GLU B 17 -15.745 -13.066 3.476 1.00 1.53 O ATOM 1776 OE2 GLU B 17 -17.887 -12.832 3.479 1.00 1.70 O ATOM 0 H GLU B 17 -13.909 -9.850 3.233 1.00 0.24 H new ATOM 0 HA GLU B 17 -15.434 -8.633 1.075 1.00 0.27 H new ATOM 0 HB2 GLU B 17 -16.841 -10.515 1.289 1.00 0.37 H new ATOM 0 HB3 GLU B 17 -15.262 -11.139 1.722 1.00 0.37 H new ATOM 0 HG2 GLU B 17 -15.903 -10.535 4.191 1.00 0.79 H new ATOM 0 HG3 GLU B 17 -17.543 -10.374 3.596 1.00 0.79 H new ATOM 1783 N ASP B 18 -16.332 -8.210 4.219 1.00 0.29 N ATOM 1784 CA ASP B 18 -17.231 -7.396 5.058 1.00 0.35 C ATOM 1785 C ASP B 18 -17.083 -5.913 4.737 1.00 0.32 C ATOM 1786 O ASP B 18 -18.046 -5.173 4.809 1.00 0.32 O ATOM 1787 CB ASP B 18 -16.866 -7.644 6.513 1.00 0.43 C ATOM 1788 CG ASP B 18 -17.792 -6.847 7.430 1.00 0.66 C ATOM 1789 OD1 ASP B 18 -18.593 -6.085 6.916 1.00 1.46 O ATOM 1790 OD2 ASP B 18 -17.689 -7.015 8.635 1.00 1.19 O ATOM 0 H ASP B 18 -15.666 -8.789 4.730 1.00 0.29 H new ATOM 0 HA ASP B 18 -18.266 -7.678 4.864 1.00 0.35 H new ATOM 0 HB2 ASP B 18 -16.944 -8.707 6.739 1.00 0.43 H new ATOM 0 HB3 ASP B 18 -15.830 -7.356 6.690 1.00 0.43 H new ATOM 1795 N HIS B 19 -15.920 -5.445 4.349 1.00 0.31 N ATOM 1796 CA HIS B 19 -15.797 -4.002 4.008 1.00 0.31 C ATOM 1797 C HIS B 19 -16.067 -3.831 2.514 1.00 0.27 C ATOM 1798 O HIS B 19 -16.386 -2.751 2.055 1.00 0.30 O ATOM 1799 CB HIS B 19 -14.381 -3.518 4.318 1.00 0.35 C ATOM 1800 CG HIS B 19 -14.250 -3.221 5.784 1.00 0.49 C ATOM 1801 ND1 HIS B 19 -13.333 -3.882 6.589 1.00 1.21 N ATOM 1802 CD2 HIS B 19 -14.898 -2.331 6.605 1.00 1.40 C ATOM 1803 CE1 HIS B 19 -13.451 -3.381 7.832 1.00 1.22 C ATOM 1804 NE2 HIS B 19 -14.390 -2.436 7.894 1.00 1.39 N ATOM 0 H HIS B 19 -15.066 -5.994 4.256 1.00 0.31 H new ATOM 0 HA HIS B 19 -16.511 -3.422 4.593 1.00 0.31 H new ATOM 0 HB2 HIS B 19 -13.656 -4.278 4.026 1.00 0.35 H new ATOM 0 HB3 HIS B 19 -14.158 -2.624 3.736 1.00 0.35 H new ATOM 0 HD2 HIS B 19 -15.681 -1.654 6.297 1.00 1.40 H new ATOM 0 HE1 HIS B 19 -12.859 -3.704 8.675 1.00 1.22 H new ATOM 0 HE2 HIS B 19 -14.675 -1.902 8.715 1.00 1.39 H new ATOM 1813 N VAL B 20 -16.010 -4.899 1.754 1.00 0.23 N ATOM 1814 CA VAL B 20 -16.344 -4.768 0.309 1.00 0.22 C ATOM 1815 C VAL B 20 -17.865 -4.645 0.256 1.00 0.22 C ATOM 1816 O VAL B 20 -18.433 -3.933 -0.548 1.00 0.23 O ATOM 1817 CB VAL B 20 -15.839 -6.000 -0.473 1.00 0.25 C ATOM 1818 CG1 VAL B 20 -16.987 -6.957 -0.816 1.00 0.34 C ATOM 1819 CG2 VAL B 20 -15.180 -5.538 -1.770 1.00 0.34 C ATOM 0 H VAL B 20 -15.752 -5.835 2.067 1.00 0.23 H new ATOM 0 HA VAL B 20 -15.866 -3.903 -0.152 1.00 0.22 H new ATOM 0 HB VAL B 20 -15.124 -6.529 0.157 1.00 0.25 H new ATOM 0 HG11 VAL B 20 -16.595 -7.813 -1.366 1.00 0.34 H new ATOM 0 HG12 VAL B 20 -17.460 -7.302 0.103 1.00 0.34 H new ATOM 0 HG13 VAL B 20 -17.723 -6.437 -1.429 1.00 0.34 H new ATOM 0 HG21 VAL B 20 -14.822 -6.405 -2.325 1.00 0.34 H new ATOM 0 HG22 VAL B 20 -15.907 -4.995 -2.374 1.00 0.34 H new ATOM 0 HG23 VAL B 20 -14.340 -4.883 -1.538 1.00 0.34 H new ATOM 1829 N LEU B 21 -18.509 -5.339 1.154 1.00 0.23 N ATOM 1830 CA LEU B 21 -19.994 -5.298 1.244 1.00 0.26 C ATOM 1831 C LEU B 21 -20.425 -3.907 1.711 1.00 0.26 C ATOM 1832 O LEU B 21 -21.243 -3.252 1.089 1.00 0.27 O ATOM 1833 CB LEU B 21 -20.471 -6.322 2.277 1.00 0.29 C ATOM 1834 CG LEU B 21 -20.311 -7.750 1.737 1.00 0.32 C ATOM 1835 CD1 LEU B 21 -20.688 -8.750 2.832 1.00 0.36 C ATOM 1836 CD2 LEU B 21 -21.226 -7.964 0.525 1.00 0.38 C ATOM 0 H LEU B 21 -18.059 -5.944 1.841 1.00 0.23 H new ATOM 0 HA LEU B 21 -20.423 -5.524 0.268 1.00 0.26 H new ATOM 0 HB2 LEU B 21 -19.900 -6.210 3.199 1.00 0.29 H new ATOM 0 HB3 LEU B 21 -21.516 -6.136 2.525 1.00 0.29 H new ATOM 0 HG LEU B 21 -19.275 -7.900 1.434 1.00 0.32 H new ATOM 0 HD11 LEU B 21 -20.576 -9.765 2.452 1.00 0.36 H new ATOM 0 HD12 LEU B 21 -20.034 -8.610 3.693 1.00 0.36 H new ATOM 0 HD13 LEU B 21 -21.723 -8.588 3.132 1.00 0.36 H new ATOM 0 HD21 LEU B 21 -21.103 -8.981 0.151 1.00 0.38 H new ATOM 0 HD22 LEU B 21 -22.264 -7.809 0.821 1.00 0.38 H new ATOM 0 HD23 LEU B 21 -20.962 -7.255 -0.260 1.00 0.38 H new ATOM 1848 N ASP B 22 -19.878 -3.448 2.803 1.00 0.27 N ATOM 1849 CA ASP B 22 -20.256 -2.101 3.311 1.00 0.30 C ATOM 1850 C ASP B 22 -19.810 -1.028 2.314 1.00 0.28 C ATOM 1851 O ASP B 22 -20.375 0.041 2.248 1.00 0.31 O ATOM 1852 CB ASP B 22 -19.576 -1.858 4.660 1.00 0.33 C ATOM 1853 CG ASP B 22 -20.309 -0.743 5.410 1.00 0.42 C ATOM 1854 OD1 ASP B 22 -20.832 0.142 4.752 1.00 1.00 O ATOM 1855 OD2 ASP B 22 -20.336 -0.795 6.629 1.00 1.21 O ATOM 0 H ASP B 22 -19.187 -3.947 3.364 1.00 0.27 H new ATOM 0 HA ASP B 22 -21.338 -2.051 3.432 1.00 0.30 H new ATOM 0 HB2 ASP B 22 -19.582 -2.773 5.252 1.00 0.33 H new ATOM 0 HB3 ASP B 22 -18.532 -1.583 4.508 1.00 0.33 H new ATOM 1860 N VAL B 23 -18.801 -1.312 1.540 1.00 0.26 N ATOM 1861 CA VAL B 23 -18.317 -0.314 0.540 1.00 0.27 C ATOM 1862 C VAL B 23 -19.301 -0.255 -0.633 1.00 0.26 C ATOM 1863 O VAL B 23 -19.791 0.800 -1.008 1.00 0.28 O ATOM 1864 CB VAL B 23 -16.935 -0.723 0.027 1.00 0.26 C ATOM 1865 CG1 VAL B 23 -16.630 0.025 -1.272 1.00 0.29 C ATOM 1866 CG2 VAL B 23 -15.878 -0.371 1.076 1.00 0.30 C ATOM 0 H VAL B 23 -18.288 -2.193 1.555 1.00 0.26 H new ATOM 0 HA VAL B 23 -18.248 0.666 1.011 1.00 0.27 H new ATOM 0 HB VAL B 23 -16.921 -1.797 -0.160 1.00 0.26 H new ATOM 0 HG11 VAL B 23 -15.645 -0.267 -1.637 1.00 0.29 H new ATOM 0 HG12 VAL B 23 -17.383 -0.223 -2.020 1.00 0.29 H new ATOM 0 HG13 VAL B 23 -16.644 1.099 -1.085 1.00 0.29 H new ATOM 0 HG21 VAL B 23 -14.893 -0.662 0.712 1.00 0.30 H new ATOM 0 HG22 VAL B 23 -15.894 0.703 1.262 1.00 0.30 H new ATOM 0 HG23 VAL B 23 -16.094 -0.903 2.003 1.00 0.30 H new ATOM 1876 N ILE B 24 -19.601 -1.386 -1.211 1.00 0.23 N ATOM 1877 CA ILE B 24 -20.556 -1.406 -2.349 1.00 0.25 C ATOM 1878 C ILE B 24 -21.869 -0.785 -1.891 1.00 0.26 C ATOM 1879 O ILE B 24 -22.632 -0.266 -2.681 1.00 0.28 O ATOM 1880 CB ILE B 24 -20.773 -2.855 -2.812 1.00 0.27 C ATOM 1881 CG1 ILE B 24 -20.915 -2.883 -4.334 1.00 0.46 C ATOM 1882 CG2 ILE B 24 -22.036 -3.448 -2.174 1.00 0.36 C ATOM 1883 CD1 ILE B 24 -21.160 -4.320 -4.797 1.00 0.69 C ATOM 0 H ILE B 24 -19.225 -2.295 -0.943 1.00 0.23 H new ATOM 0 HA ILE B 24 -20.161 -0.834 -3.188 1.00 0.25 H new ATOM 0 HB ILE B 24 -19.914 -3.451 -2.504 1.00 0.27 H new ATOM 0 HG12 ILE B 24 -21.741 -2.244 -4.645 1.00 0.46 H new ATOM 0 HG13 ILE B 24 -20.013 -2.488 -4.801 1.00 0.46 H new ATOM 0 HG21 ILE B 24 -22.169 -4.474 -2.516 1.00 0.36 H new ATOM 0 HG22 ILE B 24 -21.935 -3.438 -1.089 1.00 0.36 H new ATOM 0 HG23 ILE B 24 -22.903 -2.854 -2.463 1.00 0.36 H new ATOM 0 HD11 ILE B 24 -21.261 -4.340 -5.882 1.00 0.69 H new ATOM 0 HD12 ILE B 24 -20.319 -4.947 -4.499 1.00 0.69 H new ATOM 0 HD13 ILE B 24 -22.074 -4.699 -4.340 1.00 0.69 H new ATOM 1895 N VAL B 25 -22.135 -0.820 -0.614 1.00 0.27 N ATOM 1896 CA VAL B 25 -23.396 -0.214 -0.110 1.00 0.30 C ATOM 1897 C VAL B 25 -23.336 1.307 -0.297 1.00 0.30 C ATOM 1898 O VAL B 25 -24.304 1.927 -0.689 1.00 0.32 O ATOM 1899 CB VAL B 25 -23.571 -0.547 1.373 1.00 0.33 C ATOM 1900 CG1 VAL B 25 -24.670 0.335 1.968 1.00 0.42 C ATOM 1901 CG2 VAL B 25 -23.966 -2.017 1.520 1.00 0.37 C ATOM 0 H VAL B 25 -21.537 -1.240 0.097 1.00 0.27 H new ATOM 0 HA VAL B 25 -24.243 -0.616 -0.667 1.00 0.30 H new ATOM 0 HB VAL B 25 -22.634 -0.366 1.899 1.00 0.33 H new ATOM 0 HG11 VAL B 25 -24.795 0.098 3.025 1.00 0.42 H new ATOM 0 HG12 VAL B 25 -24.392 1.384 1.862 1.00 0.42 H new ATOM 0 HG13 VAL B 25 -25.607 0.153 1.442 1.00 0.42 H new ATOM 0 HG21 VAL B 25 -24.091 -2.256 2.576 1.00 0.37 H new ATOM 0 HG22 VAL B 25 -24.904 -2.196 0.994 1.00 0.37 H new ATOM 0 HG23 VAL B 25 -23.185 -2.648 1.095 1.00 0.37 H new ATOM 1911 N LEU B 26 -22.214 1.924 -0.021 1.00 0.30 N ATOM 1912 CA LEU B 26 -22.117 3.403 -0.191 1.00 0.32 C ATOM 1913 C LEU B 26 -22.264 3.753 -1.671 1.00 0.31 C ATOM 1914 O LEU B 26 -22.913 4.716 -2.034 1.00 0.33 O ATOM 1915 CB LEU B 26 -20.754 3.891 0.303 1.00 0.35 C ATOM 1916 CG LEU B 26 -20.324 3.096 1.535 1.00 0.61 C ATOM 1917 CD1 LEU B 26 -19.089 3.749 2.152 1.00 0.47 C ATOM 1918 CD2 LEU B 26 -21.456 3.084 2.567 1.00 1.15 C ATOM 0 H LEU B 26 -21.365 1.468 0.313 1.00 0.30 H new ATOM 0 HA LEU B 26 -22.908 3.883 0.385 1.00 0.32 H new ATOM 0 HB2 LEU B 26 -20.012 3.781 -0.487 1.00 0.35 H new ATOM 0 HB3 LEU B 26 -20.806 4.952 0.546 1.00 0.35 H new ATOM 0 HG LEU B 26 -20.093 2.072 1.239 1.00 0.61 H new ATOM 0 HD11 LEU B 26 -18.780 3.184 3.031 1.00 0.47 H new ATOM 0 HD12 LEU B 26 -18.279 3.757 1.423 1.00 0.47 H new ATOM 0 HD13 LEU B 26 -19.326 4.772 2.443 1.00 0.47 H new ATOM 0 HD21 LEU B 26 -21.144 2.516 3.443 1.00 1.15 H new ATOM 0 HD22 LEU B 26 -21.690 4.107 2.862 1.00 1.15 H new ATOM 0 HD23 LEU B 26 -22.341 2.621 2.131 1.00 1.15 H new ATOM 1930 N PHE B 27 -21.682 2.967 -2.534 1.00 0.29 N ATOM 1931 CA PHE B 27 -21.825 3.258 -3.989 1.00 0.31 C ATOM 1932 C PHE B 27 -23.314 3.231 -4.310 1.00 0.32 C ATOM 1933 O PHE B 27 -23.809 3.948 -5.156 1.00 0.34 O ATOM 1934 CB PHE B 27 -21.104 2.195 -4.815 1.00 0.32 C ATOM 1935 CG PHE B 27 -21.939 1.845 -6.023 1.00 0.42 C ATOM 1936 CD1 PHE B 27 -22.024 2.739 -7.097 1.00 1.18 C ATOM 1937 CD2 PHE B 27 -22.628 0.627 -6.070 1.00 1.37 C ATOM 1938 CE1 PHE B 27 -22.798 2.417 -8.217 1.00 1.22 C ATOM 1939 CE2 PHE B 27 -23.403 0.304 -7.191 1.00 1.46 C ATOM 1940 CZ PHE B 27 -23.488 1.199 -8.265 1.00 0.70 C ATOM 0 H PHE B 27 -21.121 2.147 -2.300 1.00 0.29 H new ATOM 0 HA PHE B 27 -21.388 4.228 -4.228 1.00 0.31 H new ATOM 0 HB2 PHE B 27 -20.127 2.564 -5.129 1.00 0.32 H new ATOM 0 HB3 PHE B 27 -20.930 1.305 -4.210 1.00 0.32 H new ATOM 0 HD1 PHE B 27 -21.492 3.678 -7.061 1.00 1.18 H new ATOM 0 HD2 PHE B 27 -22.562 -0.063 -5.242 1.00 1.37 H new ATOM 0 HE1 PHE B 27 -22.864 3.108 -9.045 1.00 1.22 H new ATOM 0 HE2 PHE B 27 -23.935 -0.635 -7.227 1.00 1.46 H new ATOM 0 HZ PHE B 27 -24.085 0.950 -9.130 1.00 0.70 H new ATOM 1950 N ASN B 28 -24.022 2.404 -3.601 1.00 0.31 N ATOM 1951 CA ASN B 28 -25.491 2.305 -3.804 1.00 0.34 C ATOM 1952 C ASN B 28 -26.102 3.698 -3.661 1.00 0.35 C ATOM 1953 O ASN B 28 -27.099 4.020 -4.277 1.00 0.36 O ATOM 1954 CB ASN B 28 -26.091 1.374 -2.755 1.00 0.36 C ATOM 1955 CG ASN B 28 -27.229 0.562 -3.378 1.00 0.43 C ATOM 1956 OD1 ASN B 28 -27.055 -0.593 -3.712 1.00 1.17 O ATOM 1957 ND2 ASN B 28 -28.394 1.123 -3.550 1.00 0.97 N ATOM 0 H ASN B 28 -23.644 1.786 -2.883 1.00 0.31 H new ATOM 0 HA ASN B 28 -25.702 1.907 -4.797 1.00 0.34 H new ATOM 0 HB2 ASN B 28 -25.323 0.704 -2.367 1.00 0.36 H new ATOM 0 HB3 ASN B 28 -26.464 1.954 -1.911 1.00 0.36 H new ATOM 0 HD21 ASN B 28 -29.160 0.592 -3.965 1.00 0.97 H new ATOM 0 HD22 ASN B 28 -28.539 2.093 -3.269 1.00 0.97 H new ATOM 1964 N GLN B 29 -25.508 4.529 -2.846 1.00 0.35 N ATOM 1965 CA GLN B 29 -26.049 5.906 -2.656 1.00 0.38 C ATOM 1966 C GLN B 29 -25.423 6.859 -3.680 1.00 0.39 C ATOM 1967 O GLN B 29 -25.803 8.008 -3.780 1.00 0.44 O ATOM 1968 CB GLN B 29 -25.717 6.395 -1.245 1.00 0.39 C ATOM 1969 CG GLN B 29 -26.084 5.314 -0.228 1.00 0.39 C ATOM 1970 CD GLN B 29 -25.739 5.802 1.181 1.00 0.42 C ATOM 1971 OE1 GLN B 29 -25.909 6.965 1.492 1.00 1.12 O ATOM 1972 NE2 GLN B 29 -25.258 4.957 2.052 1.00 1.17 N ATOM 0 H GLN B 29 -24.671 4.313 -2.304 1.00 0.35 H new ATOM 0 HA GLN B 29 -27.130 5.886 -2.795 1.00 0.38 H new ATOM 0 HB2 GLN B 29 -24.656 6.632 -1.172 1.00 0.39 H new ATOM 0 HB3 GLN B 29 -26.264 7.313 -1.029 1.00 0.39 H new ATOM 0 HG2 GLN B 29 -27.147 5.083 -0.294 1.00 0.39 H new ATOM 0 HG3 GLN B 29 -25.543 4.394 -0.448 1.00 0.39 H new ATOM 0 HE21 GLN B 29 -25.115 3.981 1.791 1.00 1.17 H new ATOM 0 HE22 GLN B 29 -25.025 5.272 2.994 1.00 1.17 H new ATOM 1981 N GLY B 30 -24.465 6.388 -4.437 1.00 0.35 N ATOM 1982 CA GLY B 30 -23.809 7.265 -5.454 1.00 0.38 C ATOM 1983 C GLY B 30 -22.460 7.749 -4.919 1.00 0.34 C ATOM 1984 O GLY B 30 -21.873 8.673 -5.439 1.00 0.36 O ATOM 0 H GLY B 30 -24.108 5.433 -4.395 1.00 0.35 H new ATOM 0 HA2 GLY B 30 -23.667 6.716 -6.385 1.00 0.38 H new ATOM 0 HA3 GLY B 30 -24.449 8.118 -5.681 1.00 0.38 H new ATOM 1988 N ILE B 31 -21.957 7.107 -3.901 1.00 0.31 N ATOM 1989 CA ILE B 31 -20.634 7.504 -3.330 1.00 0.29 C ATOM 1990 C ILE B 31 -19.551 7.041 -4.297 1.00 0.26 C ATOM 1991 O ILE B 31 -19.365 5.859 -4.502 1.00 0.25 O ATOM 1992 CB ILE B 31 -20.472 6.826 -1.973 1.00 0.29 C ATOM 1993 CG1 ILE B 31 -21.508 7.429 -1.000 1.00 0.41 C ATOM 1994 CG2 ILE B 31 -19.043 7.014 -1.456 1.00 0.31 C ATOM 1995 CD1 ILE B 31 -20.850 8.398 -0.011 1.00 0.59 C ATOM 0 H ILE B 31 -22.407 6.319 -3.435 1.00 0.31 H new ATOM 0 HA ILE B 31 -20.561 8.583 -3.195 1.00 0.29 H new ATOM 0 HB ILE B 31 -20.647 5.754 -2.061 1.00 0.29 H new ATOM 0 HG12 ILE B 31 -22.279 7.952 -1.566 1.00 0.41 H new ATOM 0 HG13 ILE B 31 -22.003 6.628 -0.452 1.00 0.41 H new ATOM 0 HG21 ILE B 31 -18.940 6.526 -0.487 1.00 0.31 H new ATOM 0 HG22 ILE B 31 -18.340 6.572 -2.162 1.00 0.31 H new ATOM 0 HG23 ILE B 31 -18.831 8.078 -1.351 1.00 0.31 H new ATOM 0 HD11 ILE B 31 -21.608 8.804 0.659 1.00 0.59 H new ATOM 0 HD12 ILE B 31 -20.097 7.867 0.572 1.00 0.59 H new ATOM 0 HD13 ILE B 31 -20.377 9.212 -0.560 1.00 0.59 H new ATOM 2007 N ASP B 32 -18.844 7.961 -4.912 1.00 0.27 N ATOM 2008 CA ASP B 32 -17.794 7.560 -5.885 1.00 0.27 C ATOM 2009 C ASP B 32 -16.396 7.567 -5.263 1.00 0.27 C ATOM 2010 O ASP B 32 -15.585 6.713 -5.560 1.00 0.29 O ATOM 2011 CB ASP B 32 -17.810 8.515 -7.080 1.00 0.29 C ATOM 2012 CG ASP B 32 -19.230 8.609 -7.641 1.00 0.66 C ATOM 2013 OD1 ASP B 32 -20.102 7.939 -7.111 1.00 1.25 O ATOM 2014 OD2 ASP B 32 -19.422 9.348 -8.593 1.00 1.46 O ATOM 0 H ASP B 32 -18.953 8.966 -4.779 1.00 0.27 H new ATOM 0 HA ASP B 32 -18.017 6.541 -6.202 1.00 0.27 H new ATOM 0 HB2 ASP B 32 -17.462 9.502 -6.775 1.00 0.29 H new ATOM 0 HB3 ASP B 32 -17.126 8.161 -7.851 1.00 0.29 H new ATOM 2019 N GLU B 33 -16.086 8.542 -4.446 1.00 0.27 N ATOM 2020 CA GLU B 33 -14.718 8.615 -3.865 1.00 0.28 C ATOM 2021 C GLU B 33 -14.671 7.986 -2.482 1.00 0.26 C ATOM 2022 O GLU B 33 -15.557 8.171 -1.671 1.00 0.28 O ATOM 2023 CB GLU B 33 -14.268 10.069 -3.775 1.00 0.30 C ATOM 2024 CG GLU B 33 -13.648 10.478 -5.113 1.00 0.60 C ATOM 2025 CD GLU B 33 -13.798 11.988 -5.309 1.00 0.49 C ATOM 2026 OE1 GLU B 33 -13.559 12.715 -4.360 1.00 1.20 O ATOM 2027 OE2 GLU B 33 -14.147 12.390 -6.407 1.00 1.08 O ATOM 0 H GLU B 33 -16.721 9.287 -4.159 1.00 0.27 H new ATOM 0 HA GLU B 33 -14.047 8.060 -4.520 1.00 0.28 H new ATOM 0 HB2 GLU B 33 -15.116 10.712 -3.540 1.00 0.30 H new ATOM 0 HB3 GLU B 33 -13.543 10.190 -2.970 1.00 0.30 H new ATOM 0 HG2 GLU B 33 -12.594 10.201 -5.136 1.00 0.60 H new ATOM 0 HG3 GLU B 33 -14.136 9.945 -5.929 1.00 0.60 H new ATOM 2034 N VAL B 34 -13.645 7.233 -2.211 1.00 0.25 N ATOM 2035 CA VAL B 34 -13.560 6.585 -0.877 1.00 0.24 C ATOM 2036 C VAL B 34 -12.108 6.332 -0.466 1.00 0.24 C ATOM 2037 O VAL B 34 -11.265 5.982 -1.271 1.00 0.33 O ATOM 2038 CB VAL B 34 -14.341 5.272 -0.918 1.00 0.24 C ATOM 2039 CG1 VAL B 34 -13.829 4.401 -2.061 1.00 0.49 C ATOM 2040 CG2 VAL B 34 -14.179 4.527 0.409 1.00 0.35 C ATOM 0 H VAL B 34 -12.871 7.040 -2.846 1.00 0.25 H new ATOM 0 HA VAL B 34 -13.992 7.253 -0.132 1.00 0.24 H new ATOM 0 HB VAL B 34 -15.396 5.492 -1.078 1.00 0.24 H new ATOM 0 HG11 VAL B 34 -14.389 3.466 -2.085 1.00 0.49 H new ATOM 0 HG12 VAL B 34 -13.960 4.927 -3.006 1.00 0.49 H new ATOM 0 HG13 VAL B 34 -12.771 4.186 -1.909 1.00 0.49 H new ATOM 0 HG21 VAL B 34 -14.738 3.592 0.372 1.00 0.35 H new ATOM 0 HG22 VAL B 34 -13.124 4.312 0.579 1.00 0.35 H new ATOM 0 HG23 VAL B 34 -14.559 5.145 1.222 1.00 0.35 H new ATOM 2050 N ILE B 35 -11.834 6.534 0.803 1.00 0.20 N ATOM 2051 CA ILE B 35 -10.448 6.337 1.342 1.00 0.21 C ATOM 2052 C ILE B 35 -10.422 5.187 2.358 1.00 0.21 C ATOM 2053 O ILE B 35 -11.194 5.160 3.296 1.00 0.23 O ATOM 2054 CB ILE B 35 -9.990 7.625 2.023 1.00 0.25 C ATOM 2055 CG1 ILE B 35 -10.665 8.822 1.346 1.00 0.26 C ATOM 2056 CG2 ILE B 35 -8.471 7.753 1.900 1.00 0.31 C ATOM 2057 CD1 ILE B 35 -9.824 10.080 1.566 1.00 0.31 C ATOM 0 H ILE B 35 -12.521 6.831 1.496 1.00 0.20 H new ATOM 0 HA ILE B 35 -9.779 6.089 0.518 1.00 0.21 H new ATOM 0 HB ILE B 35 -10.265 7.601 3.077 1.00 0.25 H new ATOM 0 HG12 ILE B 35 -10.780 8.632 0.279 1.00 0.26 H new ATOM 0 HG13 ILE B 35 -11.666 8.966 1.753 1.00 0.26 H new ATOM 0 HG21 ILE B 35 -8.143 8.672 2.386 1.00 0.31 H new ATOM 0 HG22 ILE B 35 -7.994 6.899 2.380 1.00 0.31 H new ATOM 0 HG23 ILE B 35 -8.192 7.780 0.847 1.00 0.31 H new ATOM 0 HD11 ILE B 35 -10.307 10.930 1.083 1.00 0.31 H new ATOM 0 HD12 ILE B 35 -9.732 10.274 2.635 1.00 0.31 H new ATOM 0 HD13 ILE B 35 -8.833 9.934 1.137 1.00 0.31 H new ATOM 2069 N LEU B 36 -9.523 4.243 2.181 1.00 0.23 N ATOM 2070 CA LEU B 36 -9.421 3.094 3.137 1.00 0.26 C ATOM 2071 C LEU B 36 -8.144 3.220 3.975 1.00 0.24 C ATOM 2072 O LEU B 36 -7.052 3.245 3.440 1.00 0.26 O ATOM 2073 CB LEU B 36 -9.358 1.776 2.358 1.00 0.30 C ATOM 2074 CG LEU B 36 -10.644 0.981 2.596 1.00 0.40 C ATOM 2075 CD1 LEU B 36 -11.847 1.803 2.130 1.00 0.46 C ATOM 2076 CD2 LEU B 36 -10.593 -0.326 1.803 1.00 0.48 C ATOM 0 H LEU B 36 -8.854 4.221 1.412 1.00 0.23 H new ATOM 0 HA LEU B 36 -10.296 3.106 3.787 1.00 0.26 H new ATOM 0 HB2 LEU B 36 -9.233 1.976 1.294 1.00 0.30 H new ATOM 0 HB3 LEU B 36 -8.493 1.194 2.677 1.00 0.30 H new ATOM 0 HG LEU B 36 -10.739 0.761 3.659 1.00 0.40 H new ATOM 0 HD11 LEU B 36 -12.763 1.236 2.300 1.00 0.46 H new ATOM 0 HD12 LEU B 36 -11.889 2.737 2.691 1.00 0.46 H new ATOM 0 HD13 LEU B 36 -11.748 2.022 1.067 1.00 0.46 H new ATOM 0 HD21 LEU B 36 -11.509 -0.891 1.974 1.00 0.48 H new ATOM 0 HD22 LEU B 36 -10.496 -0.103 0.740 1.00 0.48 H new ATOM 0 HD23 LEU B 36 -9.737 -0.916 2.129 1.00 0.48 H new ATOM 2088 N LYS B 37 -8.265 3.257 5.282 1.00 0.23 N ATOM 2089 CA LYS B 37 -7.041 3.330 6.142 1.00 0.23 C ATOM 2090 C LYS B 37 -6.773 1.956 6.732 1.00 0.21 C ATOM 2091 O LYS B 37 -7.658 1.331 7.282 1.00 0.20 O ATOM 2092 CB LYS B 37 -7.224 4.360 7.261 1.00 0.29 C ATOM 2093 CG LYS B 37 -6.695 3.836 8.605 1.00 1.26 C ATOM 2094 CD LYS B 37 -6.673 4.983 9.616 1.00 1.50 C ATOM 2095 CE LYS B 37 -6.165 4.468 10.965 1.00 2.39 C ATOM 2096 NZ LYS B 37 -5.689 5.614 11.790 1.00 2.74 N ATOM 0 H LYS B 37 -9.151 3.240 5.787 1.00 0.23 H new ATOM 0 HA LYS B 37 -6.192 3.643 5.534 1.00 0.23 H new ATOM 0 HB2 LYS B 37 -6.702 5.280 6.998 1.00 0.29 H new ATOM 0 HB3 LYS B 37 -8.281 4.609 7.358 1.00 0.29 H new ATOM 0 HG2 LYS B 37 -7.328 3.027 8.968 1.00 1.26 H new ATOM 0 HG3 LYS B 37 -5.693 3.425 8.480 1.00 1.26 H new ATOM 0 HD2 LYS B 37 -6.030 5.786 9.256 1.00 1.50 H new ATOM 0 HD3 LYS B 37 -7.673 5.402 9.728 1.00 1.50 H new ATOM 0 HE2 LYS B 37 -6.962 3.937 11.487 1.00 2.39 H new ATOM 0 HE3 LYS B 37 -5.354 3.755 10.812 1.00 2.39 H new ATOM 0 HZ1 LYS B 37 -5.344 5.263 12.706 1.00 2.74 H new ATOM 0 HZ2 LYS B 37 -4.917 6.102 11.293 1.00 2.74 H new ATOM 0 HZ3 LYS B 37 -6.474 6.278 11.947 1.00 2.74 H new ATOM 2110 N GLY B 38 -5.564 1.480 6.618 1.00 0.21 N ATOM 2111 CA GLY B 38 -5.245 0.129 7.175 1.00 0.22 C ATOM 2112 C GLY B 38 -3.922 0.160 7.940 1.00 0.22 C ATOM 2113 O GLY B 38 -3.034 0.916 7.623 1.00 0.24 O ATOM 0 H GLY B 38 -4.786 1.962 6.167 1.00 0.21 H new ATOM 0 HA2 GLY B 38 -6.047 -0.195 7.838 1.00 0.22 H new ATOM 0 HA3 GLY B 38 -5.186 -0.599 6.366 1.00 0.22 H new ATOM 2117 N THR B 39 -3.816 -0.647 8.970 1.00 0.22 N ATOM 2118 CA THR B 39 -2.571 -0.665 9.809 1.00 0.25 C ATOM 2119 C THR B 39 -2.030 -2.089 10.011 1.00 0.23 C ATOM 2120 O THR B 39 -2.770 -3.018 10.222 1.00 0.20 O ATOM 2121 CB THR B 39 -2.893 -0.070 11.180 1.00 0.28 C ATOM 2122 OG1 THR B 39 -3.991 -0.769 11.751 1.00 0.29 O ATOM 2123 CG2 THR B 39 -3.251 1.409 11.025 1.00 0.49 C ATOM 0 H THR B 39 -4.542 -1.298 9.268 1.00 0.22 H new ATOM 0 HA THR B 39 -1.810 -0.083 9.289 1.00 0.25 H new ATOM 0 HB THR B 39 -2.024 -0.164 11.831 1.00 0.28 H new ATOM 0 HG1 THR B 39 -4.198 -0.390 12.631 1.00 0.29 H new ATOM 0 HG21 THR B 39 -3.480 1.832 12.003 1.00 0.49 H new ATOM 0 HG22 THR B 39 -2.408 1.943 10.587 1.00 0.49 H new ATOM 0 HG23 THR B 39 -4.120 1.507 10.374 1.00 0.49 H new ATOM 2131 N GLY B 40 -0.725 -2.239 9.962 1.00 0.25 N ATOM 2132 CA GLY B 40 -0.065 -3.573 10.173 1.00 0.26 C ATOM 2133 C GLY B 40 -0.913 -4.731 9.644 1.00 0.25 C ATOM 2134 O GLY B 40 -0.661 -5.256 8.585 1.00 0.28 O ATOM 0 H GLY B 40 -0.074 -1.475 9.780 1.00 0.25 H new ATOM 0 HA2 GLY B 40 0.905 -3.579 9.675 1.00 0.26 H new ATOM 0 HA3 GLY B 40 0.122 -3.719 11.237 1.00 0.26 H new ATOM 2138 N ARG B 41 -1.886 -5.163 10.390 1.00 0.23 N ATOM 2139 CA ARG B 41 -2.716 -6.307 9.926 1.00 0.24 C ATOM 2140 C ARG B 41 -3.810 -5.795 8.988 1.00 0.22 C ATOM 2141 O ARG B 41 -3.955 -6.272 7.881 1.00 0.26 O ATOM 2142 CB ARG B 41 -3.338 -7.023 11.127 1.00 0.24 C ATOM 2143 CG ARG B 41 -2.619 -6.599 12.412 1.00 0.61 C ATOM 2144 CD ARG B 41 -2.950 -7.579 13.538 1.00 0.94 C ATOM 2145 NE ARG B 41 -3.254 -6.820 14.784 1.00 1.74 N ATOM 2146 CZ ARG B 41 -3.172 -7.412 15.944 1.00 2.19 C ATOM 2147 NH1 ARG B 41 -2.830 -8.669 16.012 1.00 2.10 N ATOM 2148 NH2 ARG B 41 -3.434 -6.746 17.035 1.00 3.16 N ATOM 0 H ARG B 41 -2.143 -4.776 11.298 1.00 0.23 H new ATOM 0 HA ARG B 41 -2.087 -7.016 9.387 1.00 0.24 H new ATOM 0 HB2 ARG B 41 -4.399 -6.782 11.196 1.00 0.24 H new ATOM 0 HB3 ARG B 41 -3.264 -8.103 10.997 1.00 0.24 H new ATOM 0 HG2 ARG B 41 -1.542 -6.573 12.245 1.00 0.61 H new ATOM 0 HG3 ARG B 41 -2.923 -5.591 12.694 1.00 0.61 H new ATOM 0 HD2 ARG B 41 -3.804 -8.196 13.258 1.00 0.94 H new ATOM 0 HD3 ARG B 41 -2.110 -8.253 13.706 1.00 0.94 H new ATOM 0 HE ARG B 41 -3.526 -5.838 14.730 1.00 1.74 H new ATOM 0 HH11 ARG B 41 -2.627 -9.189 15.158 1.00 2.10 H new ATOM 0 HH12 ARG B 41 -2.766 -9.132 16.919 1.00 2.10 H new ATOM 0 HH21 ARG B 41 -3.703 -5.764 16.981 1.00 3.16 H new ATOM 0 HH22 ARG B 41 -3.370 -7.208 17.942 1.00 3.16 H new ATOM 2162 N GLU B 42 -4.592 -4.840 9.413 1.00 0.18 N ATOM 2163 CA GLU B 42 -5.672 -4.331 8.528 1.00 0.17 C ATOM 2164 C GLU B 42 -5.046 -3.751 7.260 1.00 0.18 C ATOM 2165 O GLU B 42 -5.715 -3.543 6.264 1.00 0.19 O ATOM 2166 CB GLU B 42 -6.481 -3.235 9.240 1.00 0.16 C ATOM 2167 CG GLU B 42 -5.936 -2.988 10.651 1.00 0.16 C ATOM 2168 CD GLU B 42 -6.824 -1.977 11.377 1.00 0.63 C ATOM 2169 OE1 GLU B 42 -7.227 -1.012 10.749 1.00 1.38 O ATOM 2170 OE2 GLU B 42 -7.089 -2.186 12.550 1.00 1.29 O ATOM 0 H GLU B 42 -4.529 -4.394 10.328 1.00 0.18 H new ATOM 0 HA GLU B 42 -6.341 -5.154 8.277 1.00 0.17 H new ATOM 0 HB2 GLU B 42 -6.439 -2.312 8.662 1.00 0.16 H new ATOM 0 HB3 GLU B 42 -7.529 -3.528 9.296 1.00 0.16 H new ATOM 0 HG2 GLU B 42 -5.904 -3.924 11.208 1.00 0.16 H new ATOM 0 HG3 GLU B 42 -4.913 -2.615 10.596 1.00 0.16 H new ATOM 2177 N ILE B 43 -3.764 -3.497 7.283 1.00 0.19 N ATOM 2178 CA ILE B 43 -3.086 -2.939 6.081 1.00 0.23 C ATOM 2179 C ILE B 43 -3.274 -3.882 4.887 1.00 0.26 C ATOM 2180 O ILE B 43 -3.233 -3.467 3.746 1.00 0.30 O ATOM 2181 CB ILE B 43 -1.590 -2.794 6.381 1.00 0.30 C ATOM 2182 CG1 ILE B 43 -0.973 -1.757 5.441 1.00 0.34 C ATOM 2183 CG2 ILE B 43 -0.907 -4.139 6.153 1.00 0.39 C ATOM 2184 CD1 ILE B 43 0.495 -1.534 5.802 1.00 0.85 C ATOM 0 H ILE B 43 -3.157 -3.654 8.087 1.00 0.19 H new ATOM 0 HA ILE B 43 -3.518 -1.968 5.838 1.00 0.23 H new ATOM 0 HB ILE B 43 -1.455 -2.473 7.414 1.00 0.30 H new ATOM 0 HG12 ILE B 43 -1.055 -2.096 4.408 1.00 0.34 H new ATOM 0 HG13 ILE B 43 -1.521 -0.817 5.513 1.00 0.34 H new ATOM 0 HG21 ILE B 43 0.158 -4.046 6.364 1.00 0.39 H new ATOM 0 HG22 ILE B 43 -1.344 -4.886 6.815 1.00 0.39 H new ATOM 0 HG23 ILE B 43 -1.046 -4.447 5.117 1.00 0.39 H new ATOM 0 HD11 ILE B 43 0.927 -0.794 5.128 1.00 0.85 H new ATOM 0 HD12 ILE B 43 0.567 -1.175 6.829 1.00 0.85 H new ATOM 0 HD13 ILE B 43 1.040 -2.473 5.707 1.00 0.85 H new ATOM 2196 N SER B 44 -3.468 -5.146 5.140 1.00 0.27 N ATOM 2197 CA SER B 44 -3.647 -6.108 4.018 1.00 0.31 C ATOM 2198 C SER B 44 -5.124 -6.166 3.665 1.00 0.30 C ATOM 2199 O SER B 44 -5.497 -6.429 2.538 1.00 0.32 O ATOM 2200 CB SER B 44 -3.163 -7.495 4.441 1.00 0.36 C ATOM 2201 OG SER B 44 -2.330 -7.373 5.586 1.00 1.12 O ATOM 0 H SER B 44 -3.510 -5.554 6.074 1.00 0.27 H new ATOM 0 HA SER B 44 -3.067 -5.784 3.154 1.00 0.31 H new ATOM 0 HB2 SER B 44 -4.015 -8.138 4.664 1.00 0.36 H new ATOM 0 HB3 SER B 44 -2.613 -7.965 3.626 1.00 0.36 H new ATOM 0 HG SER B 44 -2.019 -8.261 5.861 1.00 1.12 H new ATOM 2207 N LYS B 45 -5.970 -5.874 4.609 1.00 0.26 N ATOM 2208 CA LYS B 45 -7.411 -5.868 4.291 1.00 0.26 C ATOM 2209 C LYS B 45 -7.612 -4.770 3.253 1.00 0.25 C ATOM 2210 O LYS B 45 -7.909 -5.036 2.106 1.00 0.27 O ATOM 2211 CB LYS B 45 -8.225 -5.577 5.554 1.00 0.26 C ATOM 2212 CG LYS B 45 -7.893 -6.622 6.630 1.00 0.40 C ATOM 2213 CD LYS B 45 -8.548 -7.967 6.295 1.00 0.91 C ATOM 2214 CE LYS B 45 -8.548 -8.853 7.542 1.00 0.81 C ATOM 2215 NZ LYS B 45 -9.757 -8.557 8.362 1.00 1.87 N ATOM 0 H LYS B 45 -5.726 -5.643 5.572 1.00 0.26 H new ATOM 0 HA LYS B 45 -7.744 -6.833 3.908 1.00 0.26 H new ATOM 0 HB2 LYS B 45 -7.999 -4.576 5.922 1.00 0.26 H new ATOM 0 HB3 LYS B 45 -9.291 -5.600 5.326 1.00 0.26 H new ATOM 0 HG2 LYS B 45 -6.813 -6.746 6.704 1.00 0.40 H new ATOM 0 HG3 LYS B 45 -8.241 -6.274 7.603 1.00 0.40 H new ATOM 0 HD2 LYS B 45 -9.569 -7.811 5.946 1.00 0.91 H new ATOM 0 HD3 LYS B 45 -8.006 -8.457 5.486 1.00 0.91 H new ATOM 0 HE2 LYS B 45 -8.539 -9.904 7.254 1.00 0.81 H new ATOM 0 HE3 LYS B 45 -7.646 -8.675 8.127 1.00 0.81 H new ATOM 0 HZ1 LYS B 45 -9.517 -8.627 9.372 1.00 1.87 H new ATOM 0 HZ2 LYS B 45 -10.092 -7.595 8.151 1.00 1.87 H new ATOM 0 HZ3 LYS B 45 -10.506 -9.242 8.136 1.00 1.87 H new ATOM 2229 N ALA B 46 -7.463 -3.541 3.677 1.00 0.22 N ATOM 2230 CA ALA B 46 -7.646 -2.367 2.760 1.00 0.21 C ATOM 2231 C ALA B 46 -7.286 -2.722 1.308 1.00 0.19 C ATOM 2232 O ALA B 46 -8.048 -2.469 0.396 1.00 0.22 O ATOM 2233 CB ALA B 46 -6.752 -1.218 3.230 1.00 0.26 C ATOM 0 H ALA B 46 -7.218 -3.294 4.636 1.00 0.22 H new ATOM 0 HA ALA B 46 -8.696 -2.075 2.789 1.00 0.21 H new ATOM 0 HB1 ALA B 46 -6.881 -0.362 2.567 1.00 0.26 H new ATOM 0 HB2 ALA B 46 -7.027 -0.935 4.246 1.00 0.26 H new ATOM 0 HB3 ALA B 46 -5.710 -1.537 3.212 1.00 0.26 H new ATOM 2239 N VAL B 47 -6.137 -3.303 1.079 1.00 0.18 N ATOM 2240 CA VAL B 47 -5.748 -3.661 -0.322 1.00 0.18 C ATOM 2241 C VAL B 47 -6.734 -4.681 -0.893 1.00 0.18 C ATOM 2242 O VAL B 47 -7.376 -4.442 -1.897 1.00 0.19 O ATOM 2243 CB VAL B 47 -4.335 -4.258 -0.351 1.00 0.24 C ATOM 2244 CG1 VAL B 47 -4.006 -4.709 -1.778 1.00 0.28 C ATOM 2245 CG2 VAL B 47 -3.328 -3.197 0.090 1.00 0.27 C ATOM 0 H VAL B 47 -5.453 -3.545 1.796 1.00 0.18 H new ATOM 0 HA VAL B 47 -5.766 -2.753 -0.925 1.00 0.18 H new ATOM 0 HB VAL B 47 -4.284 -5.112 0.324 1.00 0.24 H new ATOM 0 HG11 VAL B 47 -3.003 -5.134 -1.803 1.00 0.28 H new ATOM 0 HG12 VAL B 47 -4.727 -5.462 -2.097 1.00 0.28 H new ATOM 0 HG13 VAL B 47 -4.054 -3.853 -2.450 1.00 0.28 H new ATOM 0 HG21 VAL B 47 -2.323 -3.619 0.070 1.00 0.27 H new ATOM 0 HG22 VAL B 47 -3.377 -2.345 -0.588 1.00 0.27 H new ATOM 0 HG23 VAL B 47 -3.564 -2.870 1.102 1.00 0.27 H new ATOM 2255 N ASP B 48 -6.860 -5.817 -0.267 1.00 0.20 N ATOM 2256 CA ASP B 48 -7.807 -6.845 -0.783 1.00 0.23 C ATOM 2257 C ASP B 48 -9.171 -6.196 -0.976 1.00 0.26 C ATOM 2258 O ASP B 48 -9.769 -6.282 -2.030 1.00 0.30 O ATOM 2259 CB ASP B 48 -7.921 -7.993 0.224 1.00 0.24 C ATOM 2260 CG ASP B 48 -8.712 -9.143 -0.400 1.00 0.41 C ATOM 2261 OD1 ASP B 48 -9.921 -9.017 -0.506 1.00 1.25 O ATOM 2262 OD2 ASP B 48 -8.096 -10.132 -0.761 1.00 1.08 O ATOM 0 H ASP B 48 -6.350 -6.078 0.577 1.00 0.20 H new ATOM 0 HA ASP B 48 -7.445 -7.241 -1.732 1.00 0.23 H new ATOM 0 HB2 ASP B 48 -6.928 -8.336 0.514 1.00 0.24 H new ATOM 0 HB3 ASP B 48 -8.416 -7.647 1.131 1.00 0.24 H new ATOM 2267 N VAL B 49 -9.653 -5.543 0.044 1.00 0.26 N ATOM 2268 CA VAL B 49 -10.976 -4.865 -0.045 1.00 0.32 C ATOM 2269 C VAL B 49 -11.095 -4.182 -1.406 1.00 0.31 C ATOM 2270 O VAL B 49 -11.966 -4.489 -2.195 1.00 0.31 O ATOM 2271 CB VAL B 49 -11.081 -3.811 1.057 1.00 0.39 C ATOM 2272 CG1 VAL B 49 -12.442 -3.117 0.970 1.00 1.06 C ATOM 2273 CG2 VAL B 49 -10.941 -4.484 2.421 1.00 0.96 C ATOM 0 H VAL B 49 -9.182 -5.449 0.944 1.00 0.26 H new ATOM 0 HA VAL B 49 -11.774 -5.598 0.074 1.00 0.32 H new ATOM 0 HB VAL B 49 -10.287 -3.074 0.932 1.00 0.39 H new ATOM 0 HG11 VAL B 49 -12.518 -2.365 1.756 1.00 1.06 H new ATOM 0 HG12 VAL B 49 -12.544 -2.637 -0.003 1.00 1.06 H new ATOM 0 HG13 VAL B 49 -13.235 -3.854 1.096 1.00 1.06 H new ATOM 0 HG21 VAL B 49 -11.016 -3.732 3.207 1.00 0.96 H new ATOM 0 HG22 VAL B 49 -11.735 -5.221 2.546 1.00 0.96 H new ATOM 0 HG23 VAL B 49 -9.972 -4.980 2.484 1.00 0.96 H new ATOM 2283 N TYR B 50 -10.225 -3.252 -1.680 1.00 0.33 N ATOM 2284 CA TYR B 50 -10.281 -2.536 -2.983 1.00 0.36 C ATOM 2285 C TYR B 50 -10.059 -3.521 -4.127 1.00 0.32 C ATOM 2286 O TYR B 50 -10.822 -3.571 -5.070 1.00 0.32 O ATOM 2287 CB TYR B 50 -9.190 -1.470 -3.017 1.00 0.43 C ATOM 2288 CG TYR B 50 -8.537 -1.448 -4.382 1.00 1.19 C ATOM 2289 CD1 TYR B 50 -9.299 -1.159 -5.522 1.00 1.93 C ATOM 2290 CD2 TYR B 50 -7.167 -1.710 -4.507 1.00 2.17 C ATOM 2291 CE1 TYR B 50 -8.691 -1.131 -6.783 1.00 2.76 C ATOM 2292 CE2 TYR B 50 -6.560 -1.680 -5.767 1.00 3.03 C ATOM 2293 CZ TYR B 50 -7.322 -1.390 -6.905 1.00 3.13 C ATOM 2294 OH TYR B 50 -6.722 -1.360 -8.147 1.00 4.11 O ATOM 0 H TYR B 50 -9.475 -2.956 -1.055 1.00 0.33 H new ATOM 0 HA TYR B 50 -11.260 -2.070 -3.096 1.00 0.36 H new ATOM 0 HB2 TYR B 50 -9.617 -0.493 -2.792 1.00 0.43 H new ATOM 0 HB3 TYR B 50 -8.444 -1.676 -2.250 1.00 0.43 H new ATOM 0 HD1 TYR B 50 -10.356 -0.958 -5.428 1.00 1.93 H new ATOM 0 HD2 TYR B 50 -6.579 -1.935 -3.630 1.00 2.17 H new ATOM 0 HE1 TYR B 50 -9.279 -0.909 -7.661 1.00 2.76 H new ATOM 0 HE2 TYR B 50 -5.503 -1.881 -5.862 1.00 3.03 H new ATOM 0 HH TYR B 50 -5.767 -1.561 -8.054 1.00 4.11 H new ATOM 2304 N ASN B 51 -9.023 -4.307 -4.054 1.00 0.32 N ATOM 2305 CA ASN B 51 -8.769 -5.282 -5.145 1.00 0.30 C ATOM 2306 C ASN B 51 -10.057 -6.060 -5.390 1.00 0.29 C ATOM 2307 O ASN B 51 -10.562 -6.121 -6.494 1.00 0.30 O ATOM 2308 CB ASN B 51 -7.647 -6.236 -4.729 1.00 0.31 C ATOM 2309 CG ASN B 51 -8.158 -7.676 -4.772 1.00 0.65 C ATOM 2310 OD1 ASN B 51 -8.318 -8.307 -3.745 1.00 1.41 O ATOM 2311 ND2 ASN B 51 -8.427 -8.228 -5.924 1.00 1.19 N ATOM 0 H ASN B 51 -8.346 -4.316 -3.291 1.00 0.32 H new ATOM 0 HA ASN B 51 -8.464 -4.768 -6.056 1.00 0.30 H new ATOM 0 HB2 ASN B 51 -6.793 -6.122 -5.396 1.00 0.31 H new ATOM 0 HB3 ASN B 51 -7.302 -5.992 -3.725 1.00 0.31 H new ATOM 0 HD21 ASN B 51 -8.771 -9.188 -5.962 1.00 1.19 H new ATOM 0 HD22 ASN B 51 -8.293 -7.700 -6.786 1.00 1.19 H new ATOM 2318 N SER B 52 -10.586 -6.663 -4.366 1.00 0.29 N ATOM 2319 CA SER B 52 -11.834 -7.447 -4.540 1.00 0.31 C ATOM 2320 C SER B 52 -12.944 -6.523 -5.053 1.00 0.29 C ATOM 2321 O SER B 52 -13.779 -6.923 -5.838 1.00 0.33 O ATOM 2322 CB SER B 52 -12.261 -8.064 -3.212 1.00 0.34 C ATOM 2323 OG SER B 52 -11.132 -8.174 -2.358 1.00 0.65 O ATOM 0 H SER B 52 -10.209 -6.647 -3.418 1.00 0.29 H new ATOM 0 HA SER B 52 -11.654 -8.247 -5.259 1.00 0.31 H new ATOM 0 HB2 SER B 52 -13.028 -7.448 -2.742 1.00 0.34 H new ATOM 0 HB3 SER B 52 -12.701 -9.047 -3.380 1.00 0.34 H new ATOM 0 HG SER B 52 -10.875 -7.284 -2.039 1.00 0.65 H new ATOM 2329 N LEU B 53 -12.966 -5.289 -4.620 1.00 0.27 N ATOM 2330 CA LEU B 53 -14.015 -4.350 -5.088 1.00 0.27 C ATOM 2331 C LEU B 53 -13.742 -3.967 -6.548 1.00 0.27 C ATOM 2332 O LEU B 53 -14.644 -3.651 -7.300 1.00 0.30 O ATOM 2333 CB LEU B 53 -13.978 -3.080 -4.225 1.00 0.27 C ATOM 2334 CG LEU B 53 -15.181 -2.182 -4.552 1.00 0.32 C ATOM 2335 CD1 LEU B 53 -16.397 -2.591 -3.721 1.00 0.53 C ATOM 2336 CD2 LEU B 53 -14.829 -0.728 -4.242 1.00 0.38 C ATOM 0 H LEU B 53 -12.297 -4.894 -3.959 1.00 0.27 H new ATOM 0 HA LEU B 53 -14.992 -4.827 -5.008 1.00 0.27 H new ATOM 0 HB2 LEU B 53 -13.992 -3.349 -3.169 1.00 0.27 H new ATOM 0 HB3 LEU B 53 -13.050 -2.537 -4.404 1.00 0.27 H new ATOM 0 HG LEU B 53 -15.421 -2.292 -5.610 1.00 0.32 H new ATOM 0 HD11 LEU B 53 -17.239 -1.944 -3.966 1.00 0.53 H new ATOM 0 HD12 LEU B 53 -16.658 -3.626 -3.943 1.00 0.53 H new ATOM 0 HD13 LEU B 53 -16.162 -2.495 -2.661 1.00 0.53 H new ATOM 0 HD21 LEU B 53 -15.682 -0.090 -4.474 1.00 0.38 H new ATOM 0 HD22 LEU B 53 -14.580 -0.631 -3.185 1.00 0.38 H new ATOM 0 HD23 LEU B 53 -13.974 -0.424 -4.846 1.00 0.38 H new ATOM 2348 N LYS B 54 -12.520 -4.061 -6.991 1.00 0.28 N ATOM 2349 CA LYS B 54 -12.244 -3.738 -8.413 1.00 0.32 C ATOM 2350 C LYS B 54 -12.590 -4.974 -9.233 1.00 0.34 C ATOM 2351 O LYS B 54 -13.019 -4.895 -10.368 1.00 0.36 O ATOM 2352 CB LYS B 54 -10.772 -3.285 -8.567 1.00 0.34 C ATOM 2353 CG LYS B 54 -9.845 -4.401 -9.081 1.00 0.96 C ATOM 2354 CD LYS B 54 -9.814 -4.392 -10.615 1.00 0.49 C ATOM 2355 CE LYS B 54 -8.976 -3.211 -11.131 1.00 0.49 C ATOM 2356 NZ LYS B 54 -7.764 -3.730 -11.826 1.00 0.99 N ATOM 0 H LYS B 54 -11.712 -4.344 -6.437 1.00 0.28 H new ATOM 0 HA LYS B 54 -12.851 -2.907 -8.774 1.00 0.32 H new ATOM 0 HB2 LYS B 54 -10.729 -2.440 -9.254 1.00 0.34 H new ATOM 0 HB3 LYS B 54 -10.405 -2.931 -7.604 1.00 0.34 H new ATOM 0 HG2 LYS B 54 -8.838 -4.259 -8.688 1.00 0.96 H new ATOM 0 HG3 LYS B 54 -10.194 -5.369 -8.722 1.00 0.96 H new ATOM 0 HD2 LYS B 54 -9.396 -5.330 -10.981 1.00 0.49 H new ATOM 0 HD3 LYS B 54 -10.830 -4.322 -11.004 1.00 0.49 H new ATOM 0 HE2 LYS B 54 -9.568 -2.602 -11.814 1.00 0.49 H new ATOM 0 HE3 LYS B 54 -8.685 -2.567 -10.301 1.00 0.49 H new ATOM 0 HZ1 LYS B 54 -7.196 -2.932 -12.176 1.00 0.99 H new ATOM 0 HZ2 LYS B 54 -7.197 -4.293 -11.161 1.00 0.99 H new ATOM 0 HZ3 LYS B 54 -8.052 -4.327 -12.627 1.00 0.99 H new ATOM 2370 N ASP B 55 -12.445 -6.118 -8.627 1.00 0.41 N ATOM 2371 CA ASP B 55 -12.798 -7.384 -9.312 1.00 0.47 C ATOM 2372 C ASP B 55 -14.271 -7.324 -9.673 1.00 0.47 C ATOM 2373 O ASP B 55 -14.772 -8.124 -10.437 1.00 0.52 O ATOM 2374 CB ASP B 55 -12.592 -8.550 -8.347 1.00 0.51 C ATOM 2375 CG ASP B 55 -11.331 -9.333 -8.725 1.00 0.66 C ATOM 2376 OD1 ASP B 55 -10.423 -8.730 -9.270 1.00 1.23 O ATOM 2377 OD2 ASP B 55 -11.300 -10.523 -8.460 1.00 1.46 O ATOM 0 H ASP B 55 -12.093 -6.228 -7.676 1.00 0.41 H new ATOM 0 HA ASP B 55 -12.179 -7.519 -10.199 1.00 0.47 H new ATOM 0 HB2 ASP B 55 -12.505 -8.176 -7.327 1.00 0.51 H new ATOM 0 HB3 ASP B 55 -13.459 -9.210 -8.372 1.00 0.51 H new ATOM 2382 N ARG B 56 -14.976 -6.387 -9.105 1.00 0.42 N ATOM 2383 CA ARG B 56 -16.424 -6.289 -9.393 1.00 0.44 C ATOM 2384 C ARG B 56 -16.622 -5.783 -10.814 1.00 0.43 C ATOM 2385 O ARG B 56 -17.467 -6.268 -11.538 1.00 0.51 O ATOM 2386 CB ARG B 56 -17.076 -5.324 -8.402 1.00 0.54 C ATOM 2387 CG ARG B 56 -16.625 -5.657 -6.971 1.00 0.50 C ATOM 2388 CD ARG B 56 -17.290 -6.944 -6.478 1.00 0.64 C ATOM 2389 NE ARG B 56 -18.773 -6.835 -6.605 1.00 1.01 N ATOM 2390 CZ ARG B 56 -19.544 -7.636 -5.918 1.00 1.27 C ATOM 2391 NH1 ARG B 56 -19.012 -8.532 -5.132 1.00 1.51 N ATOM 2392 NH2 ARG B 56 -20.842 -7.542 -6.016 1.00 1.71 N ATOM 0 H ARG B 56 -14.610 -5.690 -8.457 1.00 0.42 H new ATOM 0 HA ARG B 56 -16.886 -7.271 -9.293 1.00 0.44 H new ATOM 0 HB2 ARG B 56 -16.804 -4.298 -8.648 1.00 0.54 H new ATOM 0 HB3 ARG B 56 -18.161 -5.392 -8.475 1.00 0.54 H new ATOM 0 HG2 ARG B 56 -15.541 -5.769 -6.943 1.00 0.50 H new ATOM 0 HG3 ARG B 56 -16.878 -4.833 -6.304 1.00 0.50 H new ATOM 0 HD2 ARG B 56 -16.929 -7.794 -7.057 1.00 0.64 H new ATOM 0 HD3 ARG B 56 -17.019 -7.128 -5.438 1.00 0.64 H new ATOM 0 HE ARG B 56 -19.183 -6.138 -7.226 1.00 1.01 H new ATOM 0 HH11 ARG B 56 -17.998 -8.605 -5.055 1.00 1.51 H new ATOM 0 HH12 ARG B 56 -19.611 -9.159 -4.594 1.00 1.51 H new ATOM 0 HH21 ARG B 56 -21.258 -6.842 -6.630 1.00 1.71 H new ATOM 0 HH22 ARG B 56 -21.441 -8.169 -5.478 1.00 1.71 H new ATOM 2406 N LEU B 57 -15.864 -4.806 -11.224 1.00 0.41 N ATOM 2407 CA LEU B 57 -16.054 -4.292 -12.604 1.00 0.48 C ATOM 2408 C LEU B 57 -14.775 -3.661 -13.150 1.00 0.43 C ATOM 2409 O LEU B 57 -14.640 -3.494 -14.346 1.00 0.44 O ATOM 2410 CB LEU B 57 -17.172 -3.249 -12.603 1.00 0.58 C ATOM 2411 CG LEU B 57 -17.902 -3.283 -13.944 1.00 1.20 C ATOM 2412 CD1 LEU B 57 -18.989 -4.359 -13.907 1.00 1.70 C ATOM 2413 CD2 LEU B 57 -18.545 -1.920 -14.208 1.00 1.77 C ATOM 0 H LEU B 57 -15.135 -4.350 -10.675 1.00 0.41 H new ATOM 0 HA LEU B 57 -16.317 -5.133 -13.246 1.00 0.48 H new ATOM 0 HB2 LEU B 57 -17.871 -3.450 -11.791 1.00 0.58 H new ATOM 0 HB3 LEU B 57 -16.757 -2.256 -12.428 1.00 0.58 H new ATOM 0 HG LEU B 57 -17.191 -3.511 -14.738 1.00 1.20 H new ATOM 0 HD11 LEU B 57 -19.510 -4.383 -14.864 1.00 1.70 H new ATOM 0 HD12 LEU B 57 -18.533 -5.331 -13.718 1.00 1.70 H new ATOM 0 HD13 LEU B 57 -19.700 -4.131 -13.113 1.00 1.70 H new ATOM 0 HD21 LEU B 57 -19.066 -1.943 -15.165 1.00 1.77 H new ATOM 0 HD22 LEU B 57 -19.255 -1.693 -13.413 1.00 1.77 H new ATOM 0 HD23 LEU B 57 -17.772 -1.152 -14.234 1.00 1.77 H new ATOM 2425 N GLY B 58 -13.831 -3.307 -12.319 1.00 0.39 N ATOM 2426 CA GLY B 58 -12.585 -2.686 -12.849 1.00 0.36 C ATOM 2427 C GLY B 58 -12.918 -1.329 -13.465 1.00 0.35 C ATOM 2428 O GLY B 58 -12.457 -0.299 -13.015 1.00 0.35 O ATOM 0 H GLY B 58 -13.868 -3.420 -11.306 1.00 0.39 H new ATOM 0 HA2 GLY B 58 -11.856 -2.565 -12.047 1.00 0.36 H new ATOM 0 HA3 GLY B 58 -12.131 -3.336 -13.597 1.00 0.36 H new ATOM 2432 N ASP B 59 -13.717 -1.322 -14.491 1.00 0.40 N ATOM 2433 CA ASP B 59 -14.086 -0.038 -15.140 1.00 0.44 C ATOM 2434 C ASP B 59 -14.987 0.754 -14.201 1.00 0.38 C ATOM 2435 O ASP B 59 -14.848 1.950 -14.058 1.00 0.40 O ATOM 2436 CB ASP B 59 -14.832 -0.325 -16.443 1.00 0.53 C ATOM 2437 CG ASP B 59 -14.186 0.460 -17.586 1.00 0.63 C ATOM 2438 OD1 ASP B 59 -13.052 0.159 -17.920 1.00 1.40 O ATOM 2439 OD2 ASP B 59 -14.837 1.350 -18.110 1.00 1.11 O ATOM 0 H ASP B 59 -14.132 -2.154 -14.910 1.00 0.40 H new ATOM 0 HA ASP B 59 -13.187 0.538 -15.357 1.00 0.44 H new ATOM 0 HB2 ASP B 59 -14.806 -1.393 -16.661 1.00 0.53 H new ATOM 0 HB3 ASP B 59 -15.881 -0.045 -16.343 1.00 0.53 H new ATOM 2444 N GLY B 60 -15.908 0.098 -13.558 1.00 0.34 N ATOM 2445 CA GLY B 60 -16.820 0.812 -12.629 1.00 0.31 C ATOM 2446 C GLY B 60 -16.088 1.115 -11.326 1.00 0.29 C ATOM 2447 O GLY B 60 -16.702 1.359 -10.309 1.00 0.28 O ATOM 0 H GLY B 60 -16.069 -0.906 -13.637 1.00 0.34 H new ATOM 0 HA2 GLY B 60 -17.169 1.738 -13.086 1.00 0.31 H new ATOM 0 HA3 GLY B 60 -17.702 0.203 -12.429 1.00 0.31 H new ATOM 2451 N VAL B 61 -14.780 1.106 -11.342 1.00 0.29 N ATOM 2452 CA VAL B 61 -14.001 1.393 -10.106 1.00 0.28 C ATOM 2453 C VAL B 61 -12.649 1.963 -10.539 1.00 0.30 C ATOM 2454 O VAL B 61 -12.014 1.447 -11.438 1.00 0.46 O ATOM 2455 CB VAL B 61 -13.772 0.095 -9.318 1.00 0.30 C ATOM 2456 CG1 VAL B 61 -12.497 0.219 -8.481 1.00 0.44 C ATOM 2457 CG2 VAL B 61 -14.958 -0.169 -8.385 1.00 0.39 C ATOM 0 H VAL B 61 -14.215 0.910 -12.168 1.00 0.29 H new ATOM 0 HA VAL B 61 -14.540 2.097 -9.472 1.00 0.28 H new ATOM 0 HB VAL B 61 -13.673 -0.731 -10.022 1.00 0.30 H new ATOM 0 HG11 VAL B 61 -12.337 -0.703 -7.923 1.00 0.44 H new ATOM 0 HG12 VAL B 61 -11.646 0.398 -9.138 1.00 0.44 H new ATOM 0 HG13 VAL B 61 -12.598 1.051 -7.785 1.00 0.44 H new ATOM 0 HG21 VAL B 61 -14.786 -1.092 -7.830 1.00 0.39 H new ATOM 0 HG22 VAL B 61 -15.063 0.661 -7.686 1.00 0.39 H new ATOM 0 HG23 VAL B 61 -15.870 -0.264 -8.974 1.00 0.39 H new ATOM 2467 N GLN B 62 -12.237 3.055 -9.953 1.00 0.28 N ATOM 2468 CA GLN B 62 -10.961 3.698 -10.379 1.00 0.30 C ATOM 2469 C GLN B 62 -10.088 4.093 -9.189 1.00 0.29 C ATOM 2470 O GLN B 62 -10.560 4.361 -8.107 1.00 0.27 O ATOM 2471 CB GLN B 62 -11.314 4.964 -11.143 1.00 0.31 C ATOM 2472 CG GLN B 62 -10.974 4.787 -12.614 1.00 0.41 C ATOM 2473 CD GLN B 62 -9.457 4.711 -12.792 1.00 0.56 C ATOM 2474 OE1 GLN B 62 -8.719 5.407 -12.122 1.00 1.26 O ATOM 2475 NE2 GLN B 62 -8.956 3.890 -13.674 1.00 1.42 N ATOM 0 H GLN B 62 -12.730 3.530 -9.197 1.00 0.28 H new ATOM 0 HA GLN B 62 -10.403 2.985 -10.986 1.00 0.30 H new ATOM 0 HB2 GLN B 62 -12.375 5.185 -11.029 1.00 0.31 H new ATOM 0 HB3 GLN B 62 -10.766 5.812 -10.733 1.00 0.31 H new ATOM 0 HG2 GLN B 62 -11.440 3.879 -12.997 1.00 0.41 H new ATOM 0 HG3 GLN B 62 -11.375 5.620 -13.192 1.00 0.41 H new ATOM 0 HE21 GLN B 62 -9.575 3.306 -14.236 1.00 1.42 H new ATOM 0 HE22 GLN B 62 -7.946 3.832 -13.801 1.00 1.42 H new ATOM 2484 N LEU B 63 -8.805 4.147 -9.414 1.00 0.33 N ATOM 2485 CA LEU B 63 -7.841 4.541 -8.350 1.00 0.33 C ATOM 2486 C LEU B 63 -7.592 6.048 -8.465 1.00 0.34 C ATOM 2487 O LEU B 63 -7.095 6.520 -9.467 1.00 0.39 O ATOM 2488 CB LEU B 63 -6.532 3.770 -8.584 1.00 0.36 C ATOM 2489 CG LEU B 63 -5.489 4.108 -7.506 1.00 0.36 C ATOM 2490 CD1 LEU B 63 -4.702 2.845 -7.141 1.00 0.54 C ATOM 2491 CD2 LEU B 63 -4.503 5.160 -8.035 1.00 0.52 C ATOM 0 H LEU B 63 -8.375 3.929 -10.313 1.00 0.33 H new ATOM 0 HA LEU B 63 -8.228 4.312 -7.357 1.00 0.33 H new ATOM 0 HB2 LEU B 63 -6.732 2.698 -8.578 1.00 0.36 H new ATOM 0 HB3 LEU B 63 -6.134 4.014 -9.569 1.00 0.36 H new ATOM 0 HG LEU B 63 -6.007 4.498 -6.630 1.00 0.36 H new ATOM 0 HD11 LEU B 63 -3.963 3.085 -6.377 1.00 0.54 H new ATOM 0 HD12 LEU B 63 -5.386 2.088 -6.759 1.00 0.54 H new ATOM 0 HD13 LEU B 63 -4.196 2.463 -8.028 1.00 0.54 H new ATOM 0 HD21 LEU B 63 -3.769 5.392 -7.263 1.00 0.52 H new ATOM 0 HD22 LEU B 63 -3.993 4.770 -8.916 1.00 0.52 H new ATOM 0 HD23 LEU B 63 -5.047 6.066 -8.302 1.00 0.52 H new ATOM 2503 N VAL B 64 -7.955 6.808 -7.465 1.00 0.33 N ATOM 2504 CA VAL B 64 -7.753 8.289 -7.544 1.00 0.37 C ATOM 2505 C VAL B 64 -6.514 8.694 -6.755 1.00 0.36 C ATOM 2506 O VAL B 64 -5.898 9.702 -7.039 1.00 0.41 O ATOM 2507 CB VAL B 64 -8.951 9.023 -6.959 1.00 0.41 C ATOM 2508 CG1 VAL B 64 -9.674 9.773 -8.080 1.00 1.08 C ATOM 2509 CG2 VAL B 64 -9.891 8.017 -6.297 1.00 1.43 C ATOM 0 H VAL B 64 -8.380 6.472 -6.601 1.00 0.33 H new ATOM 0 HA VAL B 64 -7.633 8.554 -8.594 1.00 0.37 H new ATOM 0 HB VAL B 64 -8.620 9.739 -6.207 1.00 0.41 H new ATOM 0 HG11 VAL B 64 -10.534 10.302 -7.668 1.00 1.08 H new ATOM 0 HG12 VAL B 64 -8.992 10.490 -8.537 1.00 1.08 H new ATOM 0 HG13 VAL B 64 -10.012 9.062 -8.834 1.00 1.08 H new ATOM 0 HG21 VAL B 64 -10.749 8.542 -5.878 1.00 1.43 H new ATOM 0 HG22 VAL B 64 -10.234 7.296 -7.039 1.00 1.43 H new ATOM 0 HG23 VAL B 64 -9.362 7.494 -5.501 1.00 1.43 H new ATOM 2519 N ASN B 65 -6.130 7.931 -5.770 1.00 0.32 N ATOM 2520 CA ASN B 65 -4.921 8.308 -4.990 1.00 0.34 C ATOM 2521 C ASN B 65 -4.569 7.177 -4.028 1.00 0.30 C ATOM 2522 O ASN B 65 -5.425 6.438 -3.587 1.00 0.28 O ATOM 2523 CB ASN B 65 -5.205 9.578 -4.191 1.00 0.36 C ATOM 2524 CG ASN B 65 -4.494 10.765 -4.843 1.00 0.48 C ATOM 2525 OD1 ASN B 65 -5.121 11.588 -5.481 1.00 1.28 O ATOM 2526 ND2 ASN B 65 -3.203 10.890 -4.707 1.00 1.09 N ATOM 0 H ASN B 65 -6.595 7.073 -5.474 1.00 0.32 H new ATOM 0 HA ASN B 65 -4.089 8.485 -5.672 1.00 0.34 H new ATOM 0 HB2 ASN B 65 -6.279 9.762 -4.151 1.00 0.36 H new ATOM 0 HB3 ASN B 65 -4.864 9.457 -3.163 1.00 0.36 H new ATOM 0 HD21 ASN B 65 -2.719 11.679 -5.136 1.00 1.09 H new ATOM 0 HD22 ASN B 65 -2.677 10.199 -4.172 1.00 1.09 H new ATOM 2533 N VAL B 66 -3.315 7.046 -3.698 1.00 0.29 N ATOM 2534 CA VAL B 66 -2.881 5.971 -2.767 1.00 0.26 C ATOM 2535 C VAL B 66 -1.591 6.421 -2.088 1.00 0.27 C ATOM 2536 O VAL B 66 -0.680 6.916 -2.722 1.00 0.31 O ATOM 2537 CB VAL B 66 -2.607 4.672 -3.544 1.00 0.30 C ATOM 2538 CG1 VAL B 66 -2.066 3.597 -2.595 1.00 0.90 C ATOM 2539 CG2 VAL B 66 -3.898 4.158 -4.182 1.00 0.66 C ATOM 0 H VAL B 66 -2.564 7.646 -4.039 1.00 0.29 H new ATOM 0 HA VAL B 66 -3.664 5.785 -2.032 1.00 0.26 H new ATOM 0 HB VAL B 66 -1.872 4.884 -4.320 1.00 0.30 H new ATOM 0 HG11 VAL B 66 -1.875 2.681 -3.154 1.00 0.90 H new ATOM 0 HG12 VAL B 66 -1.138 3.946 -2.142 1.00 0.90 H new ATOM 0 HG13 VAL B 66 -2.800 3.399 -1.814 1.00 0.90 H new ATOM 0 HG21 VAL B 66 -3.692 3.238 -4.729 1.00 0.66 H new ATOM 0 HG22 VAL B 66 -4.635 3.960 -3.404 1.00 0.66 H new ATOM 0 HG23 VAL B 66 -4.289 4.909 -4.869 1.00 0.66 H new ATOM 2549 N GLN B 67 -1.523 6.255 -0.803 1.00 0.25 N ATOM 2550 CA GLN B 67 -0.309 6.672 -0.064 1.00 0.28 C ATOM 2551 C GLN B 67 0.001 5.650 1.020 1.00 0.25 C ATOM 2552 O GLN B 67 -0.836 4.864 1.416 1.00 0.23 O ATOM 2553 CB GLN B 67 -0.534 8.050 0.562 1.00 0.29 C ATOM 2554 CG GLN B 67 0.810 8.747 0.789 1.00 0.37 C ATOM 2555 CD GLN B 67 1.081 9.724 -0.357 1.00 0.64 C ATOM 2556 OE1 GLN B 67 0.478 10.776 -0.427 1.00 1.11 O ATOM 2557 NE2 GLN B 67 1.966 9.418 -1.262 1.00 1.44 N ATOM 0 H GLN B 67 -2.261 5.846 -0.230 1.00 0.25 H new ATOM 0 HA GLN B 67 0.534 6.730 -0.752 1.00 0.28 H new ATOM 0 HB2 GLN B 67 -1.162 8.657 -0.090 1.00 0.29 H new ATOM 0 HB3 GLN B 67 -1.064 7.946 1.509 1.00 0.29 H new ATOM 0 HG2 GLN B 67 0.799 9.280 1.740 1.00 0.37 H new ATOM 0 HG3 GLN B 67 1.609 8.008 0.847 1.00 0.37 H new ATOM 0 HE21 GLN B 67 2.472 8.534 -1.202 1.00 1.44 H new ATOM 0 HE22 GLN B 67 2.153 10.062 -2.030 1.00 1.44 H new ATOM 2566 N THR B 68 1.216 5.648 1.470 1.00 0.26 N ATOM 2567 CA THR B 68 1.636 4.672 2.502 1.00 0.26 C ATOM 2568 C THR B 68 2.524 5.370 3.513 1.00 0.25 C ATOM 2569 O THR B 68 3.218 6.314 3.191 1.00 0.33 O ATOM 2570 CB THR B 68 2.444 3.569 1.820 1.00 0.33 C ATOM 2571 OG1 THR B 68 3.222 4.134 0.773 1.00 0.42 O ATOM 2572 CG2 THR B 68 1.498 2.533 1.244 1.00 0.45 C ATOM 0 H THR B 68 1.947 6.290 1.163 1.00 0.26 H new ATOM 0 HA THR B 68 0.762 4.254 3.002 1.00 0.26 H new ATOM 0 HB THR B 68 3.102 3.095 2.548 1.00 0.33 H new ATOM 0 HG1 THR B 68 4.079 4.444 1.133 1.00 0.42 H new ATOM 0 HG21 THR B 68 2.073 1.746 0.757 1.00 0.45 H new ATOM 0 HG22 THR B 68 0.899 2.102 2.046 1.00 0.45 H new ATOM 0 HG23 THR B 68 0.841 3.006 0.514 1.00 0.45 H new ATOM 2580 N GLY B 69 2.542 4.908 4.725 1.00 0.24 N ATOM 2581 CA GLY B 69 3.429 5.537 5.742 1.00 0.28 C ATOM 2582 C GLY B 69 3.349 4.719 7.037 1.00 0.26 C ATOM 2583 O GLY B 69 2.428 3.960 7.230 1.00 0.29 O ATOM 0 H GLY B 69 1.983 4.123 5.059 1.00 0.24 H new ATOM 0 HA2 GLY B 69 4.456 5.570 5.379 1.00 0.28 H new ATOM 0 HA3 GLY B 69 3.122 6.567 5.926 1.00 0.28 H new ATOM 2587 N SER B 70 4.315 4.851 7.910 1.00 0.24 N ATOM 2588 CA SER B 70 4.294 4.089 9.199 1.00 0.25 C ATOM 2589 C SER B 70 3.758 4.994 10.318 1.00 0.29 C ATOM 2590 O SER B 70 3.873 6.201 10.251 1.00 0.31 O ATOM 2591 CB SER B 70 5.708 3.626 9.546 1.00 0.27 C ATOM 2592 OG SER B 70 6.541 4.761 9.737 1.00 0.39 O ATOM 0 H SER B 70 5.125 5.459 7.785 1.00 0.24 H new ATOM 0 HA SER B 70 3.647 3.218 9.095 1.00 0.25 H new ATOM 0 HB2 SER B 70 5.692 3.017 10.450 1.00 0.27 H new ATOM 0 HB3 SER B 70 6.104 3.000 8.746 1.00 0.27 H new ATOM 0 HG SER B 70 7.361 4.491 10.201 1.00 0.39 H new ATOM 2598 N GLU B 71 3.200 4.431 11.366 1.00 0.32 N ATOM 2599 CA GLU B 71 2.687 5.294 12.476 1.00 0.39 C ATOM 2600 C GLU B 71 2.728 4.555 13.804 1.00 0.40 C ATOM 2601 O GLU B 71 3.033 3.382 13.876 1.00 0.37 O ATOM 2602 CB GLU B 71 1.243 5.703 12.208 1.00 0.40 C ATOM 2603 CG GLU B 71 0.316 4.492 12.331 1.00 0.49 C ATOM 2604 CD GLU B 71 -0.370 4.507 13.697 1.00 0.68 C ATOM 2605 OE1 GLU B 71 -0.890 5.547 14.067 1.00 1.49 O ATOM 2606 OE2 GLU B 71 -0.368 3.481 14.347 1.00 1.26 O ATOM 0 H GLU B 71 3.080 3.427 11.499 1.00 0.32 H new ATOM 0 HA GLU B 71 3.327 6.175 12.525 1.00 0.39 H new ATOM 0 HB2 GLU B 71 0.939 6.475 12.915 1.00 0.40 H new ATOM 0 HB3 GLU B 71 1.159 6.134 11.210 1.00 0.40 H new ATOM 0 HG2 GLU B 71 -0.431 4.511 11.538 1.00 0.49 H new ATOM 0 HG3 GLU B 71 0.886 3.571 12.209 1.00 0.49 H new ATOM 2613 N VAL B 72 2.440 5.259 14.862 1.00 0.45 N ATOM 2614 CA VAL B 72 2.480 4.635 16.205 1.00 0.49 C ATOM 2615 C VAL B 72 1.125 4.031 16.566 1.00 0.52 C ATOM 2616 O VAL B 72 0.085 4.624 16.364 1.00 0.71 O ATOM 2617 CB VAL B 72 2.861 5.684 17.250 1.00 0.59 C ATOM 2618 CG1 VAL B 72 4.279 5.412 17.755 1.00 0.56 C ATOM 2619 CG2 VAL B 72 2.802 7.079 16.622 1.00 0.87 C ATOM 0 H VAL B 72 2.178 6.245 14.850 1.00 0.45 H new ATOM 0 HA VAL B 72 3.224 3.839 16.190 1.00 0.49 H new ATOM 0 HB VAL B 72 2.162 5.632 18.085 1.00 0.59 H new ATOM 0 HG11 VAL B 72 4.550 6.160 18.500 1.00 0.56 H new ATOM 0 HG12 VAL B 72 4.321 4.420 18.205 1.00 0.56 H new ATOM 0 HG13 VAL B 72 4.978 5.461 16.920 1.00 0.56 H new ATOM 0 HG21 VAL B 72 3.074 7.826 17.368 1.00 0.87 H new ATOM 0 HG22 VAL B 72 3.499 7.131 15.786 1.00 0.87 H new ATOM 0 HG23 VAL B 72 1.791 7.275 16.265 1.00 0.87 H new ATOM 2629 N ARG B 73 1.147 2.849 17.121 1.00 0.47 N ATOM 2630 CA ARG B 73 -0.118 2.179 17.527 1.00 0.50 C ATOM 2631 C ARG B 73 0.155 1.299 18.748 1.00 0.54 C ATOM 2632 O ARG B 73 0.683 0.212 18.631 1.00 0.55 O ATOM 2633 CB ARG B 73 -0.631 1.310 16.382 1.00 0.49 C ATOM 2634 CG ARG B 73 -2.095 1.649 16.099 1.00 0.62 C ATOM 2635 CD ARG B 73 -2.596 0.807 14.927 1.00 0.72 C ATOM 2636 NE ARG B 73 -4.067 0.990 14.773 1.00 0.90 N ATOM 2637 CZ ARG B 73 -4.891 0.407 15.602 1.00 1.40 C ATOM 2638 NH1 ARG B 73 -4.429 -0.338 16.569 1.00 2.18 N ATOM 2639 NH2 ARG B 73 -6.179 0.569 15.462 1.00 1.68 N ATOM 0 H ARG B 73 1.996 2.316 17.311 1.00 0.47 H new ATOM 0 HA ARG B 73 -0.868 2.931 17.771 1.00 0.50 H new ATOM 0 HB2 ARG B 73 -0.029 1.475 15.488 1.00 0.49 H new ATOM 0 HB3 ARG B 73 -0.534 0.256 16.641 1.00 0.49 H new ATOM 0 HG2 ARG B 73 -2.701 1.457 16.984 1.00 0.62 H new ATOM 0 HG3 ARG B 73 -2.196 2.709 15.868 1.00 0.62 H new ATOM 0 HD2 ARG B 73 -2.085 1.101 14.010 1.00 0.72 H new ATOM 0 HD3 ARG B 73 -2.366 -0.245 15.097 1.00 0.72 H new ATOM 0 HE ARG B 73 -4.431 1.572 14.019 1.00 0.90 H new ATOM 0 HH11 ARG B 73 -3.423 -0.466 16.678 1.00 2.18 H new ATOM 0 HH12 ARG B 73 -5.074 -0.792 17.215 1.00 2.18 H new ATOM 0 HH21 ARG B 73 -6.541 1.150 14.706 1.00 1.68 H new ATOM 0 HH22 ARG B 73 -6.823 0.114 16.109 1.00 1.68 H new ATOM 2653 N ASP B 74 -0.185 1.787 19.914 1.00 0.59 N ATOM 2654 CA ASP B 74 0.047 1.025 21.177 1.00 0.65 C ATOM 2655 C ASP B 74 1.474 1.279 21.664 1.00 0.65 C ATOM 2656 O ASP B 74 2.134 0.393 22.171 1.00 0.67 O ATOM 2657 CB ASP B 74 -0.163 -0.474 20.950 1.00 0.66 C ATOM 2658 CG ASP B 74 -0.661 -1.123 22.242 1.00 0.76 C ATOM 2659 OD1 ASP B 74 -0.163 -0.758 23.294 1.00 1.35 O ATOM 2660 OD2 ASP B 74 -1.532 -1.973 22.157 1.00 1.25 O ATOM 0 H ASP B 74 -0.622 2.699 20.045 1.00 0.59 H new ATOM 0 HA ASP B 74 -0.666 1.362 21.929 1.00 0.65 H new ATOM 0 HB2 ASP B 74 -0.885 -0.633 20.149 1.00 0.66 H new ATOM 0 HB3 ASP B 74 0.771 -0.939 20.634 1.00 0.66 H new ATOM 2665 N ARG B 75 1.956 2.486 21.492 1.00 0.64 N ATOM 2666 CA ARG B 75 3.347 2.834 21.923 1.00 0.66 C ATOM 2667 C ARG B 75 4.349 2.042 21.085 1.00 0.60 C ATOM 2668 O ARG B 75 5.454 1.762 21.503 1.00 0.65 O ATOM 2669 CB ARG B 75 3.545 2.544 23.418 1.00 0.75 C ATOM 2670 CG ARG B 75 3.538 3.864 24.188 1.00 0.85 C ATOM 2671 CD ARG B 75 2.236 4.610 23.897 1.00 0.86 C ATOM 2672 NE ARG B 75 1.690 5.175 25.163 1.00 1.19 N ATOM 2673 CZ ARG B 75 1.050 4.404 26.000 1.00 1.81 C ATOM 2674 NH1 ARG B 75 0.888 3.138 25.726 1.00 2.57 N ATOM 2675 NH2 ARG B 75 0.573 4.898 27.109 1.00 2.18 N ATOM 0 H ARG B 75 1.438 3.255 21.066 1.00 0.64 H new ATOM 0 HA ARG B 75 3.511 3.900 21.767 1.00 0.66 H new ATOM 0 HB2 ARG B 75 2.752 1.892 23.783 1.00 0.75 H new ATOM 0 HB3 ARG B 75 4.487 2.020 23.578 1.00 0.75 H new ATOM 0 HG2 ARG B 75 3.631 3.675 25.257 1.00 0.85 H new ATOM 0 HG3 ARG B 75 4.393 4.473 23.896 1.00 0.85 H new ATOM 0 HD2 ARG B 75 2.416 5.409 23.178 1.00 0.86 H new ATOM 0 HD3 ARG B 75 1.510 3.933 23.446 1.00 0.86 H new ATOM 0 HE ARG B 75 1.816 6.165 25.376 1.00 1.19 H new ATOM 0 HH11 ARG B 75 1.261 2.752 24.859 1.00 2.57 H new ATOM 0 HH12 ARG B 75 0.388 2.535 26.379 1.00 2.57 H new ATOM 0 HH21 ARG B 75 0.700 5.887 27.323 1.00 2.18 H new ATOM 0 HH22 ARG B 75 0.073 4.295 27.762 1.00 2.18 H new ATOM 2689 N ARG B 76 3.973 1.713 19.884 1.00 0.50 N ATOM 2690 CA ARG B 76 4.899 0.967 18.990 1.00 0.44 C ATOM 2691 C ARG B 76 4.621 1.369 17.550 1.00 0.40 C ATOM 2692 O ARG B 76 3.527 1.772 17.208 1.00 0.39 O ATOM 2693 CB ARG B 76 4.672 -0.535 19.098 1.00 0.45 C ATOM 2694 CG ARG B 76 5.952 -1.234 19.574 1.00 0.62 C ATOM 2695 CD ARG B 76 6.289 -0.825 21.008 1.00 1.29 C ATOM 2696 NE ARG B 76 6.968 -1.959 21.694 1.00 1.55 N ATOM 2697 CZ ARG B 76 7.015 -2.000 22.997 1.00 2.38 C ATOM 2698 NH1 ARG B 76 6.475 -1.042 23.699 1.00 3.14 N ATOM 2699 NH2 ARG B 76 7.605 -2.997 23.597 1.00 2.85 N ATOM 0 H ARG B 76 3.061 1.929 19.481 1.00 0.50 H new ATOM 0 HA ARG B 76 5.921 1.203 19.285 1.00 0.44 H new ATOM 0 HB2 ARG B 76 3.858 -0.738 19.795 1.00 0.45 H new ATOM 0 HB3 ARG B 76 4.370 -0.935 18.130 1.00 0.45 H new ATOM 0 HG2 ARG B 76 5.824 -2.315 19.519 1.00 0.62 H new ATOM 0 HG3 ARG B 76 6.780 -0.977 18.913 1.00 0.62 H new ATOM 0 HD2 ARG B 76 6.934 0.053 21.006 1.00 1.29 H new ATOM 0 HD3 ARG B 76 5.380 -0.552 21.544 1.00 1.29 H new ATOM 0 HE ARG B 76 7.397 -2.704 21.145 1.00 1.55 H new ATOM 0 HH11 ARG B 76 6.016 -0.262 23.229 1.00 3.14 H new ATOM 0 HH12 ARG B 76 6.511 -1.074 24.718 1.00 3.14 H new ATOM 0 HH21 ARG B 76 8.029 -3.744 23.047 1.00 2.85 H new ATOM 0 HH22 ARG B 76 7.642 -3.029 24.616 1.00 2.85 H new ATOM 2713 N ARG B 77 5.611 1.292 16.716 1.00 0.38 N ATOM 2714 CA ARG B 77 5.400 1.713 15.304 1.00 0.34 C ATOM 2715 C ARG B 77 4.874 0.565 14.465 1.00 0.30 C ATOM 2716 O ARG B 77 5.249 -0.580 14.624 1.00 0.32 O ATOM 2717 CB ARG B 77 6.685 2.252 14.681 1.00 0.36 C ATOM 2718 CG ARG B 77 6.350 3.522 13.885 1.00 0.47 C ATOM 2719 CD ARG B 77 7.480 3.834 12.907 1.00 0.48 C ATOM 2720 NE ARG B 77 8.760 4.006 13.654 1.00 1.12 N ATOM 2721 CZ ARG B 77 9.075 5.168 14.163 1.00 1.45 C ATOM 2722 NH1 ARG B 77 8.261 6.182 14.045 1.00 1.69 N ATOM 2723 NH2 ARG B 77 10.206 5.315 14.798 1.00 2.39 N ATOM 0 H ARG B 77 6.549 0.960 16.943 1.00 0.38 H new ATOM 0 HA ARG B 77 4.659 2.512 15.319 1.00 0.34 H new ATOM 0 HB2 ARG B 77 7.417 2.474 15.457 1.00 0.36 H new ATOM 0 HB3 ARG B 77 7.131 1.503 14.027 1.00 0.36 H new ATOM 0 HG2 ARG B 77 5.415 3.386 13.342 1.00 0.47 H new ATOM 0 HG3 ARG B 77 6.204 4.361 14.566 1.00 0.47 H new ATOM 0 HD2 ARG B 77 7.578 3.028 12.180 1.00 0.48 H new ATOM 0 HD3 ARG B 77 7.250 4.741 12.348 1.00 0.48 H new ATOM 0 HE ARG B 77 9.392 3.213 13.768 1.00 1.12 H new ATOM 0 HH11 ARG B 77 7.374 6.070 13.554 1.00 1.69 H new ATOM 0 HH12 ARG B 77 8.512 7.087 14.444 1.00 1.69 H new ATOM 0 HH21 ARG B 77 10.842 4.524 14.896 1.00 2.39 H new ATOM 0 HH22 ARG B 77 10.453 6.221 15.196 1.00 2.39 H new ATOM 2737 N ILE B 78 3.980 0.889 13.577 1.00 0.26 N ATOM 2738 CA ILE B 78 3.368 -0.137 12.706 1.00 0.23 C ATOM 2739 C ILE B 78 3.205 0.446 11.307 1.00 0.21 C ATOM 2740 O ILE B 78 3.208 1.646 11.117 1.00 0.22 O ATOM 2741 CB ILE B 78 1.985 -0.495 13.279 1.00 0.24 C ATOM 2742 CG1 ILE B 78 1.469 -1.825 12.713 1.00 0.26 C ATOM 2743 CG2 ILE B 78 0.974 0.600 12.940 1.00 0.32 C ATOM 2744 CD1 ILE B 78 1.097 -2.755 13.871 1.00 0.58 C ATOM 0 H ILE B 78 3.645 1.839 13.419 1.00 0.26 H new ATOM 0 HA ILE B 78 3.993 -1.029 12.660 1.00 0.23 H new ATOM 0 HB ILE B 78 2.096 -0.587 14.359 1.00 0.24 H new ATOM 0 HG12 ILE B 78 0.601 -1.651 12.077 1.00 0.26 H new ATOM 0 HG13 ILE B 78 2.233 -2.289 12.089 1.00 0.26 H new ATOM 0 HG21 ILE B 78 -0.000 0.335 13.351 1.00 0.32 H new ATOM 0 HG22 ILE B 78 1.304 1.546 13.370 1.00 0.32 H new ATOM 0 HG23 ILE B 78 0.896 0.701 11.857 1.00 0.32 H new ATOM 0 HD11 ILE B 78 0.730 -3.701 13.474 1.00 0.58 H new ATOM 0 HD12 ILE B 78 1.977 -2.937 14.488 1.00 0.58 H new ATOM 0 HD13 ILE B 78 0.319 -2.289 14.476 1.00 0.58 H new ATOM 2756 N SER B 79 3.095 -0.393 10.329 1.00 0.20 N ATOM 2757 CA SER B 79 2.971 0.104 8.939 1.00 0.19 C ATOM 2758 C SER B 79 1.500 0.354 8.615 1.00 0.20 C ATOM 2759 O SER B 79 0.615 -0.319 9.109 1.00 0.22 O ATOM 2760 CB SER B 79 3.540 -0.941 7.974 1.00 0.22 C ATOM 2761 OG SER B 79 3.938 -2.089 8.708 1.00 0.61 O ATOM 0 H SER B 79 3.085 -1.408 10.430 1.00 0.20 H new ATOM 0 HA SER B 79 3.526 1.036 8.834 1.00 0.19 H new ATOM 0 HB2 SER B 79 2.791 -1.212 7.230 1.00 0.22 H new ATOM 0 HB3 SER B 79 4.391 -0.528 7.433 1.00 0.22 H new ATOM 0 HG SER B 79 4.788 -2.424 8.355 1.00 0.61 H new ATOM 2767 N TYR B 80 1.249 1.325 7.781 1.00 0.23 N ATOM 2768 CA TYR B 80 -0.158 1.638 7.404 1.00 0.29 C ATOM 2769 C TYR B 80 -0.234 1.984 5.927 1.00 0.29 C ATOM 2770 O TYR B 80 0.688 2.520 5.353 1.00 0.27 O ATOM 2771 CB TYR B 80 -0.735 2.775 8.287 1.00 0.41 C ATOM 2772 CG TYR B 80 -0.163 4.136 7.931 1.00 0.94 C ATOM 2773 CD1 TYR B 80 -0.523 4.769 6.733 1.00 1.63 C ATOM 2774 CD2 TYR B 80 0.716 4.779 8.816 1.00 1.88 C ATOM 2775 CE1 TYR B 80 0.000 6.028 6.420 1.00 2.58 C ATOM 2776 CE2 TYR B 80 1.234 6.044 8.488 1.00 2.80 C ATOM 2777 CZ TYR B 80 0.877 6.660 7.295 1.00 3.04 C ATOM 2778 OH TYR B 80 1.390 7.903 6.979 1.00 4.08 O ATOM 0 H TYR B 80 1.957 1.915 7.344 1.00 0.23 H new ATOM 0 HA TYR B 80 -0.772 0.755 7.580 1.00 0.29 H new ATOM 0 HB2 TYR B 80 -1.819 2.800 8.178 1.00 0.41 H new ATOM 0 HB3 TYR B 80 -0.525 2.559 9.335 1.00 0.41 H new ATOM 0 HD1 TYR B 80 -1.205 4.284 6.051 1.00 1.63 H new ATOM 0 HD2 TYR B 80 0.993 4.304 9.745 1.00 1.88 H new ATOM 0 HE1 TYR B 80 -0.278 6.511 5.495 1.00 2.58 H new ATOM 0 HE2 TYR B 80 1.913 6.539 9.167 1.00 2.80 H new ATOM 0 HH TYR B 80 1.985 8.203 7.697 1.00 4.08 H new ATOM 2788 N ILE B 81 -1.342 1.660 5.309 1.00 0.31 N ATOM 2789 CA ILE B 81 -1.520 1.931 3.857 1.00 0.32 C ATOM 2790 C ILE B 81 -2.760 2.790 3.634 1.00 0.31 C ATOM 2791 O ILE B 81 -3.835 2.503 4.133 1.00 0.31 O ATOM 2792 CB ILE B 81 -1.714 0.599 3.124 1.00 0.35 C ATOM 2793 CG1 ILE B 81 -1.753 0.827 1.610 1.00 0.70 C ATOM 2794 CG2 ILE B 81 -3.038 -0.035 3.560 1.00 0.90 C ATOM 2795 CD1 ILE B 81 -2.090 -0.489 0.911 1.00 0.69 C ATOM 0 H ILE B 81 -2.140 1.213 5.759 1.00 0.31 H new ATOM 0 HA ILE B 81 -0.641 2.454 3.480 1.00 0.32 H new ATOM 0 HB ILE B 81 -0.881 -0.060 3.370 1.00 0.35 H new ATOM 0 HG12 ILE B 81 -2.497 1.584 1.364 1.00 0.70 H new ATOM 0 HG13 ILE B 81 -0.790 1.201 1.262 1.00 0.70 H new ATOM 0 HG21 ILE B 81 -3.177 -0.982 3.039 1.00 0.90 H new ATOM 0 HG22 ILE B 81 -3.020 -0.211 4.635 1.00 0.90 H new ATOM 0 HG23 ILE B 81 -3.861 0.637 3.316 1.00 0.90 H new ATOM 0 HD11 ILE B 81 -2.119 -0.331 -0.167 1.00 0.69 H new ATOM 0 HD12 ILE B 81 -1.329 -1.233 1.149 1.00 0.69 H new ATOM 0 HD13 ILE B 81 -3.063 -0.843 1.252 1.00 0.69 H new ATOM 2807 N LEU B 82 -2.609 3.830 2.873 1.00 0.30 N ATOM 2808 CA LEU B 82 -3.753 4.722 2.566 1.00 0.29 C ATOM 2809 C LEU B 82 -4.166 4.444 1.122 1.00 0.27 C ATOM 2810 O LEU B 82 -3.345 4.531 0.231 1.00 0.30 O ATOM 2811 CB LEU B 82 -3.294 6.174 2.684 1.00 0.31 C ATOM 2812 CG LEU B 82 -2.384 6.341 3.898 1.00 0.33 C ATOM 2813 CD1 LEU B 82 -1.978 7.815 4.028 1.00 0.34 C ATOM 2814 CD2 LEU B 82 -3.142 5.915 5.159 1.00 0.37 C ATOM 0 H LEU B 82 -1.726 4.105 2.443 1.00 0.30 H new ATOM 0 HA LEU B 82 -4.583 4.549 3.251 1.00 0.29 H new ATOM 0 HB2 LEU B 82 -2.764 6.470 1.779 1.00 0.31 H new ATOM 0 HB3 LEU B 82 -4.159 6.830 2.776 1.00 0.31 H new ATOM 0 HG LEU B 82 -1.494 5.724 3.777 1.00 0.33 H new ATOM 0 HD11 LEU B 82 -1.328 7.938 4.894 1.00 0.34 H new ATOM 0 HD12 LEU B 82 -1.447 8.127 3.129 1.00 0.34 H new ATOM 0 HD13 LEU B 82 -2.870 8.428 4.154 1.00 0.34 H new ATOM 0 HD21 LEU B 82 -2.496 6.033 6.029 1.00 0.37 H new ATOM 0 HD22 LEU B 82 -4.028 6.538 5.279 1.00 0.37 H new ATOM 0 HD23 LEU B 82 -3.442 4.871 5.068 1.00 0.37 H new ATOM 2826 N LEU B 83 -5.403 4.079 0.870 1.00 0.23 N ATOM 2827 CA LEU B 83 -5.801 3.768 -0.535 1.00 0.23 C ATOM 2828 C LEU B 83 -7.109 4.469 -0.900 1.00 0.22 C ATOM 2829 O LEU B 83 -8.119 4.329 -0.238 1.00 0.21 O ATOM 2830 CB LEU B 83 -5.976 2.257 -0.680 1.00 0.25 C ATOM 2831 CG LEU B 83 -6.460 1.926 -2.089 1.00 0.48 C ATOM 2832 CD1 LEU B 83 -5.620 0.783 -2.658 1.00 0.46 C ATOM 2833 CD2 LEU B 83 -7.924 1.502 -2.028 1.00 0.98 C ATOM 0 H LEU B 83 -6.141 3.985 1.567 1.00 0.23 H new ATOM 0 HA LEU B 83 -5.021 4.125 -1.208 1.00 0.23 H new ATOM 0 HB2 LEU B 83 -5.031 1.751 -0.482 1.00 0.25 H new ATOM 0 HB3 LEU B 83 -6.693 1.892 0.056 1.00 0.25 H new ATOM 0 HG LEU B 83 -6.359 2.802 -2.729 1.00 0.48 H new ATOM 0 HD11 LEU B 83 -5.964 0.545 -3.665 1.00 0.46 H new ATOM 0 HD12 LEU B 83 -4.573 1.084 -2.694 1.00 0.46 H new ATOM 0 HD13 LEU B 83 -5.723 -0.096 -2.022 1.00 0.46 H new ATOM 0 HD21 LEU B 83 -8.276 1.264 -3.032 1.00 0.98 H new ATOM 0 HD22 LEU B 83 -8.022 0.623 -1.391 1.00 0.98 H new ATOM 0 HD23 LEU B 83 -8.522 2.316 -1.617 1.00 0.98 H new ATOM 2845 N ARG B 84 -7.072 5.223 -1.968 1.00 0.23 N ATOM 2846 CA ARG B 84 -8.286 5.952 -2.418 1.00 0.24 C ATOM 2847 C ARG B 84 -8.957 5.191 -3.561 1.00 0.30 C ATOM 2848 O ARG B 84 -8.407 4.258 -4.107 1.00 0.71 O ATOM 2849 CB ARG B 84 -7.909 7.368 -2.871 1.00 0.29 C ATOM 2850 CG ARG B 84 -9.092 8.315 -2.623 1.00 0.30 C ATOM 2851 CD ARG B 84 -8.666 9.764 -2.858 1.00 0.34 C ATOM 2852 NE ARG B 84 -9.703 10.676 -2.298 1.00 0.41 N ATOM 2853 CZ ARG B 84 -9.627 11.960 -2.510 1.00 0.50 C ATOM 2854 NH1 ARG B 84 -8.645 12.450 -3.215 1.00 0.55 N ATOM 2855 NH2 ARG B 84 -10.537 12.757 -2.015 1.00 0.60 N ATOM 0 H ARG B 84 -6.245 5.363 -2.549 1.00 0.23 H new ATOM 0 HA ARG B 84 -8.987 6.025 -1.586 1.00 0.24 H new ATOM 0 HB2 ARG B 84 -7.031 7.714 -2.326 1.00 0.29 H new ATOM 0 HB3 ARG B 84 -7.647 7.365 -3.929 1.00 0.29 H new ATOM 0 HG2 ARG B 84 -9.918 8.059 -3.287 1.00 0.30 H new ATOM 0 HG3 ARG B 84 -9.455 8.196 -1.602 1.00 0.30 H new ATOM 0 HD2 ARG B 84 -7.703 9.954 -2.384 1.00 0.34 H new ATOM 0 HD3 ARG B 84 -8.539 9.950 -3.924 1.00 0.34 H new ATOM 0 HE ARG B 84 -10.473 10.295 -1.748 1.00 0.41 H new ATOM 0 HH11 ARG B 84 -7.935 11.828 -3.602 1.00 0.55 H new ATOM 0 HH12 ARG B 84 -8.587 13.455 -3.380 1.00 0.55 H new ATOM 0 HH21 ARG B 84 -11.305 12.374 -1.464 1.00 0.60 H new ATOM 0 HH22 ARG B 84 -10.479 13.762 -2.180 1.00 0.60 H new ATOM 2869 N LEU B 85 -10.143 5.594 -3.923 1.00 0.31 N ATOM 2870 CA LEU B 85 -10.851 4.894 -5.038 1.00 0.28 C ATOM 2871 C LEU B 85 -11.940 5.780 -5.622 1.00 0.27 C ATOM 2872 O LEU B 85 -12.692 6.386 -4.902 1.00 0.29 O ATOM 2873 CB LEU B 85 -11.493 3.613 -4.510 1.00 0.29 C ATOM 2874 CG LEU B 85 -11.412 2.508 -5.566 1.00 0.56 C ATOM 2875 CD1 LEU B 85 -10.051 1.812 -5.497 1.00 1.44 C ATOM 2876 CD2 LEU B 85 -12.512 1.482 -5.301 1.00 0.93 C ATOM 0 H LEU B 85 -10.652 6.371 -3.501 1.00 0.31 H new ATOM 0 HA LEU B 85 -10.123 4.661 -5.815 1.00 0.28 H new ATOM 0 HB2 LEU B 85 -10.988 3.293 -3.599 1.00 0.29 H new ATOM 0 HB3 LEU B 85 -12.534 3.800 -4.248 1.00 0.29 H new ATOM 0 HG LEU B 85 -11.539 2.948 -6.555 1.00 0.56 H new ATOM 0 HD11 LEU B 85 -10.005 1.028 -6.253 1.00 1.44 H new ATOM 0 HD12 LEU B 85 -9.260 2.540 -5.680 1.00 1.44 H new ATOM 0 HD13 LEU B 85 -9.917 1.372 -4.509 1.00 1.44 H new ATOM 0 HD21 LEU B 85 -12.460 0.692 -6.050 1.00 0.93 H new ATOM 0 HD22 LEU B 85 -12.377 1.051 -4.309 1.00 0.93 H new ATOM 0 HD23 LEU B 85 -13.485 1.970 -5.355 1.00 0.93 H new ATOM 2888 N LYS B 86 -12.037 5.829 -6.924 1.00 0.31 N ATOM 2889 CA LYS B 86 -13.089 6.653 -7.586 1.00 0.33 C ATOM 2890 C LYS B 86 -13.994 5.725 -8.397 1.00 0.30 C ATOM 2891 O LYS B 86 -13.537 4.806 -9.037 1.00 0.34 O ATOM 2892 CB LYS B 86 -12.429 7.680 -8.502 1.00 0.39 C ATOM 2893 CG LYS B 86 -13.486 8.386 -9.362 1.00 0.41 C ATOM 2894 CD LYS B 86 -13.580 7.762 -10.761 1.00 0.41 C ATOM 2895 CE LYS B 86 -14.186 8.790 -11.718 1.00 0.51 C ATOM 2896 NZ LYS B 86 -14.697 8.104 -12.936 1.00 1.31 N ATOM 0 H LYS B 86 -11.423 5.326 -7.565 1.00 0.31 H new ATOM 0 HA LYS B 86 -13.682 7.182 -6.840 1.00 0.33 H new ATOM 0 HB2 LYS B 86 -11.887 8.414 -7.905 1.00 0.39 H new ATOM 0 HB3 LYS B 86 -11.698 7.188 -9.144 1.00 0.39 H new ATOM 0 HG2 LYS B 86 -14.457 8.326 -8.870 1.00 0.41 H new ATOM 0 HG3 LYS B 86 -13.238 9.444 -9.450 1.00 0.41 H new ATOM 0 HD2 LYS B 86 -12.591 7.460 -11.107 1.00 0.41 H new ATOM 0 HD3 LYS B 86 -14.196 6.863 -10.733 1.00 0.41 H new ATOM 0 HE2 LYS B 86 -14.996 9.327 -11.225 1.00 0.51 H new ATOM 0 HE3 LYS B 86 -13.435 9.530 -11.994 1.00 0.51 H new ATOM 0 HZ1 LYS B 86 -15.093 8.808 -13.591 1.00 1.31 H new ATOM 0 HZ2 LYS B 86 -13.917 7.597 -13.402 1.00 1.31 H new ATOM 0 HZ3 LYS B 86 -15.439 7.426 -12.667 1.00 1.31 H new ATOM 2910 N ARG B 87 -15.271 5.950 -8.352 1.00 0.28 N ATOM 2911 CA ARG B 87 -16.209 5.060 -9.102 1.00 0.27 C ATOM 2912 C ARG B 87 -16.546 5.657 -10.469 1.00 0.28 C ATOM 2913 O ARG B 87 -16.681 6.855 -10.625 1.00 0.32 O ATOM 2914 CB ARG B 87 -17.485 4.880 -8.286 1.00 0.29 C ATOM 2915 CG ARG B 87 -18.279 3.688 -8.808 1.00 0.61 C ATOM 2916 CD ARG B 87 -17.822 2.410 -8.093 1.00 0.42 C ATOM 2917 NE ARG B 87 -18.188 2.478 -6.649 1.00 0.48 N ATOM 2918 CZ ARG B 87 -17.758 1.558 -5.827 1.00 0.81 C ATOM 2919 NH1 ARG B 87 -17.051 0.561 -6.281 1.00 1.64 N ATOM 2920 NH2 ARG B 87 -18.040 1.630 -4.555 1.00 0.87 N ATOM 0 H ARG B 87 -15.712 6.708 -7.831 1.00 0.28 H new ATOM 0 HA ARG B 87 -15.731 4.094 -9.261 1.00 0.27 H new ATOM 0 HB2 ARG B 87 -17.236 4.728 -7.236 1.00 0.29 H new ATOM 0 HB3 ARG B 87 -18.092 5.784 -8.342 1.00 0.29 H new ATOM 0 HG2 ARG B 87 -19.344 3.848 -8.643 1.00 0.61 H new ATOM 0 HG3 ARG B 87 -18.135 3.586 -9.884 1.00 0.61 H new ATOM 0 HD2 ARG B 87 -18.287 1.539 -8.554 1.00 0.42 H new ATOM 0 HD3 ARG B 87 -16.744 2.289 -8.199 1.00 0.42 H new ATOM 0 HE ARG B 87 -18.772 3.240 -6.304 1.00 0.48 H new ATOM 0 HH11 ARG B 87 -16.835 0.501 -7.276 1.00 1.64 H new ATOM 0 HH12 ARG B 87 -16.714 -0.158 -5.641 1.00 1.64 H new ATOM 0 HH21 ARG B 87 -18.598 2.406 -4.199 1.00 0.87 H new ATOM 0 HH22 ARG B 87 -17.703 0.910 -3.916 1.00 0.87 H new ATOM 2934 N VAL B 88 -16.689 4.808 -11.456 1.00 0.28 N ATOM 2935 CA VAL B 88 -17.028 5.276 -12.833 1.00 0.32 C ATOM 2936 C VAL B 88 -18.373 4.680 -13.240 1.00 0.34 C ATOM 2937 O VAL B 88 -18.985 5.095 -14.204 1.00 0.39 O ATOM 2938 CB VAL B 88 -15.961 4.799 -13.821 1.00 0.34 C ATOM 2939 CG1 VAL B 88 -15.908 5.753 -15.016 1.00 0.49 C ATOM 2940 CG2 VAL B 88 -14.592 4.764 -13.137 1.00 0.68 C ATOM 0 H VAL B 88 -16.584 3.798 -11.364 1.00 0.28 H new ATOM 0 HA VAL B 88 -17.074 6.365 -12.844 1.00 0.32 H new ATOM 0 HB VAL B 88 -16.216 3.796 -14.163 1.00 0.34 H new ATOM 0 HG11 VAL B 88 -15.148 5.413 -15.720 1.00 0.49 H new ATOM 0 HG12 VAL B 88 -16.879 5.770 -15.511 1.00 0.49 H new ATOM 0 HG13 VAL B 88 -15.659 6.756 -14.670 1.00 0.49 H new ATOM 0 HG21 VAL B 88 -13.839 4.423 -13.848 1.00 0.68 H new ATOM 0 HG22 VAL B 88 -14.335 5.764 -12.787 1.00 0.68 H new ATOM 0 HG23 VAL B 88 -14.626 4.080 -12.289 1.00 0.68 H new ATOM 2950 N TYR B 89 -18.840 3.709 -12.507 1.00 0.33 N ATOM 2951 CA TYR B 89 -20.147 3.087 -12.845 1.00 0.39 C ATOM 2952 C TYR B 89 -20.690 2.342 -11.624 1.00 0.50 C ATOM 2953 O TYR B 89 -20.112 2.490 -10.559 1.00 1.12 O ATOM 2954 CB TYR B 89 -19.962 2.103 -14.002 1.00 0.41 C ATOM 2955 CG TYR B 89 -21.207 2.094 -14.857 1.00 0.54 C ATOM 2956 CD1 TYR B 89 -21.479 3.171 -15.709 1.00 1.47 C ATOM 2957 CD2 TYR B 89 -22.089 1.008 -14.797 1.00 1.13 C ATOM 2958 CE1 TYR B 89 -22.633 3.162 -16.502 1.00 1.77 C ATOM 2959 CE2 TYR B 89 -23.243 1.000 -15.589 1.00 1.27 C ATOM 2960 CZ TYR B 89 -23.515 2.077 -16.442 1.00 1.26 C ATOM 2961 OH TYR B 89 -24.653 2.068 -17.222 1.00 1.66 O ATOM 2962 OXT TYR B 89 -21.674 1.637 -11.774 1.00 1.01 O ATOM 0 H TYR B 89 -18.372 3.320 -11.688 1.00 0.33 H new ATOM 0 HA TYR B 89 -20.852 3.864 -13.139 1.00 0.39 H new ATOM 0 HB2 TYR B 89 -19.098 2.388 -14.602 1.00 0.41 H new ATOM 0 HB3 TYR B 89 -19.766 1.103 -13.615 1.00 0.41 H new ATOM 0 HD1 TYR B 89 -20.799 4.009 -15.755 1.00 1.47 H new ATOM 0 HD2 TYR B 89 -21.879 0.177 -14.140 1.00 1.13 H new ATOM 0 HE1 TYR B 89 -22.842 3.992 -17.160 1.00 1.77 H new ATOM 0 HE2 TYR B 89 -23.924 0.163 -15.542 1.00 1.27 H new ATOM 0 HH TYR B 89 -25.154 1.242 -17.060 1.00 1.66 H new TER 2972 TYR B 89