USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 817 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 87 LYS NZ :NH3+ 144:sc= 0.404 (180deg=-0.052) USER MOD Set 1.2: A 102 MET CE :methyl -135:sc= -0.0159 (180deg=-0.989) USER MOD Single : A 5 LYS NZ :NH3+ -170:sc=-0.00769 (180deg=-0.132) USER MOD Single : A 12 LYS NZ :NH3+ 155:sc= -0.194 (180deg=-0.521) USER MOD Single : A 13 ASN : amide:sc= -3.56 K(o=-3.6,f=-6.9!) USER MOD Single : A 14 THR OG1 : rot 86:sc= 0.562! USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -1.68! C(o=-1.7!,f=-6.6!) USER MOD Single : A 23 TYR OH : rot 90:sc= -3.82! USER MOD Single : A 24 HIS : no HE2:sc= -3.83! C(o=-3.8!,f=-11!) USER MOD Single : A 27 SER OG : rot 11:sc= 1.08 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 120:sc= 0.427 USER MOD Single : A 31 ASN : amide:sc= 0.767 K(o=0.77,f=-0.35) USER MOD Single : A 35 GLN : amide:sc= -2.45! C(o=-2.5!,f=-5.1!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.224 X(o=-0.22,f=-0.016) USER MOD Single : A 40 LYS NZ :NH3+ -164:sc= -0.0493 (180deg=-0.301) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0494 USER MOD Single : A 46 LYS NZ :NH3+ -169:sc=-0.00738 (180deg=-0.179) USER MOD Single : A 48 LYS NZ :NH3+ 156:sc= -0.362 (180deg=-1.16!) USER MOD Single : A 58 ASN : amide:sc= -1.55 X(o=-1.5,f=-2!) USER MOD Single : A 63 GLN : amide:sc= -2.92! X(o=-2.9!,f=-2.6) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.593 F(o=-1.6,f=-0.59) USER MOD Single : A 67 MET CE :methyl -131:sc= -0.273 (180deg=-1.05) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 98:sc= 1.27 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -39:sc= -0.0242 USER MOD Single : A 95 MET CE :methyl -159:sc= -0.211 (180deg=-0.955) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -110:sc= -0.211 (180deg=-0.577) USER MOD Single : A 108 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 111 ASN : amide:sc= 0.813 K(o=0.81,f=-6.5!) USER MOD Single : A 112 LYS NZ :NH3+ 164:sc= -0.0478 (180deg=-0.295) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 47 N LYS A 5 17.042 0.860 4.034 1.00 3.56 N ATOM 48 CA LYS A 5 16.104 0.803 5.125 1.00 3.21 C ATOM 49 C LYS A 5 14.936 -0.109 4.799 1.00 2.60 C ATOM 50 O LYS A 5 14.446 -0.090 3.671 1.00 2.48 O ATOM 51 CB LYS A 5 15.599 2.197 5.367 1.00 3.31 C ATOM 52 CG LYS A 5 14.492 2.288 6.391 1.00 3.91 C ATOM 53 CD LYS A 5 14.957 1.802 7.757 1.00 4.47 C ATOM 54 CE LYS A 5 13.849 1.871 8.793 1.00 5.34 C ATOM 55 NZ LYS A 5 13.380 3.261 9.018 1.00 5.99 N ATOM 0 HA LYS A 5 16.600 0.403 6.010 1.00 3.21 H new ATOM 0 HB2 LYS A 5 16.431 2.821 5.692 1.00 3.31 H new ATOM 0 HB3 LYS A 5 15.241 2.610 4.424 1.00 3.31 H new ATOM 0 HG2 LYS A 5 14.149 3.320 6.468 1.00 3.91 H new ATOM 0 HG3 LYS A 5 13.640 1.693 6.062 1.00 3.91 H new ATOM 0 HD2 LYS A 5 15.313 0.775 7.675 1.00 4.47 H new ATOM 0 HD3 LYS A 5 15.801 2.406 8.089 1.00 4.47 H new ATOM 0 HE2 LYS A 5 13.011 1.254 8.468 1.00 5.34 H new ATOM 0 HE3 LYS A 5 14.207 1.453 9.734 1.00 5.34 H new ATOM 0 HZ1 LYS A 5 12.750 3.285 9.845 1.00 5.99 H new ATOM 0 HZ2 LYS A 5 14.198 3.880 9.188 1.00 5.99 H new ATOM 0 HZ3 LYS A 5 12.863 3.593 8.179 1.00 5.99 H new ATOM 69 N GLU A 6 14.504 -0.916 5.768 1.00 2.54 N ATOM 70 CA GLU A 6 13.221 -1.597 5.670 1.00 2.10 C ATOM 71 C GLU A 6 12.122 -0.551 5.495 1.00 1.84 C ATOM 72 O GLU A 6 11.750 0.154 6.433 1.00 2.27 O ATOM 73 CB GLU A 6 12.945 -2.465 6.899 1.00 2.49 C ATOM 74 CG GLU A 6 13.873 -3.663 7.009 1.00 2.96 C ATOM 75 CD GLU A 6 15.181 -3.336 7.705 1.00 3.57 C ATOM 76 OE1 GLU A 6 16.059 -2.725 7.063 1.00 4.01 O ATOM 77 OE2 GLU A 6 15.346 -3.695 8.888 1.00 3.94 O ATOM 0 H GLU A 6 15.023 -1.111 6.624 1.00 2.54 H new ATOM 0 HA GLU A 6 13.242 -2.264 4.808 1.00 2.10 H new ATOM 0 HB2 GLU A 6 13.044 -1.854 7.796 1.00 2.49 H new ATOM 0 HB3 GLU A 6 11.913 -2.815 6.864 1.00 2.49 H new ATOM 0 HG2 GLU A 6 13.367 -4.459 7.554 1.00 2.96 H new ATOM 0 HG3 GLU A 6 14.085 -4.045 6.010 1.00 2.96 H new ATOM 84 N ILE A 7 11.629 -0.462 4.276 1.00 1.34 N ATOM 85 CA ILE A 7 10.726 0.601 3.865 1.00 1.10 C ATOM 86 C ILE A 7 9.318 0.351 4.381 1.00 0.99 C ATOM 87 O ILE A 7 8.917 -0.797 4.555 1.00 1.30 O ATOM 88 CB ILE A 7 10.732 0.693 2.324 1.00 1.29 C ATOM 89 CG1 ILE A 7 12.039 1.241 1.806 1.00 1.73 C ATOM 90 CG2 ILE A 7 9.607 1.508 1.767 1.00 1.29 C ATOM 91 CD1 ILE A 7 12.689 2.248 2.704 1.00 2.00 C ATOM 0 H ILE A 7 11.844 -1.129 3.535 1.00 1.34 H new ATOM 0 HA ILE A 7 11.066 1.545 4.290 1.00 1.10 H new ATOM 0 HB ILE A 7 10.598 -0.333 1.982 1.00 1.29 H new ATOM 0 HG12 ILE A 7 12.730 0.412 1.650 1.00 1.73 H new ATOM 0 HG13 ILE A 7 11.866 1.699 0.832 1.00 1.73 H new ATOM 0 HG21 ILE A 7 9.676 1.528 0.679 1.00 1.29 H new ATOM 0 HG22 ILE A 7 8.656 1.065 2.062 1.00 1.29 H new ATOM 0 HG23 ILE A 7 9.669 2.525 2.153 1.00 1.29 H new ATOM 0 HD11 ILE A 7 13.622 2.588 2.254 1.00 2.00 H new ATOM 0 HD12 ILE A 7 12.021 3.098 2.841 1.00 2.00 H new ATOM 0 HD13 ILE A 7 12.898 1.791 3.671 1.00 2.00 H new ATOM 103 N GLU A 8 8.563 1.423 4.588 1.00 0.87 N ATOM 104 CA GLU A 8 7.264 1.321 5.224 1.00 0.93 C ATOM 105 C GLU A 8 6.174 1.516 4.189 1.00 0.86 C ATOM 106 O GLU A 8 6.415 2.092 3.127 1.00 1.29 O ATOM 107 CB GLU A 8 7.139 2.371 6.327 1.00 1.41 C ATOM 108 CG GLU A 8 8.211 2.257 7.393 1.00 1.71 C ATOM 109 CD GLU A 8 8.375 3.528 8.197 1.00 2.31 C ATOM 110 OE1 GLU A 8 7.651 3.693 9.204 1.00 2.70 O ATOM 111 OE2 GLU A 8 9.218 4.374 7.827 1.00 2.71 O ATOM 0 H GLU A 8 8.832 2.371 4.323 1.00 0.87 H new ATOM 0 HA GLU A 8 7.158 0.332 5.670 1.00 0.93 H new ATOM 0 HB2 GLU A 8 7.186 3.364 5.880 1.00 1.41 H new ATOM 0 HB3 GLU A 8 6.160 2.279 6.796 1.00 1.41 H new ATOM 0 HG2 GLU A 8 7.962 1.436 8.066 1.00 1.71 H new ATOM 0 HG3 GLU A 8 9.161 2.006 6.921 1.00 1.71 H new ATOM 118 N ILE A 9 4.991 1.002 4.492 1.00 0.65 N ATOM 119 CA ILE A 9 3.860 1.052 3.590 1.00 0.68 C ATOM 120 C ILE A 9 2.542 1.155 4.371 1.00 0.53 C ATOM 121 O ILE A 9 2.160 0.195 5.037 1.00 0.68 O ATOM 122 CB ILE A 9 3.842 -0.229 2.741 1.00 0.91 C ATOM 123 CG1 ILE A 9 4.819 -1.260 3.312 1.00 0.93 C ATOM 124 CG2 ILE A 9 4.159 0.068 1.289 1.00 1.34 C ATOM 125 CD1 ILE A 9 5.723 -1.859 2.279 1.00 1.21 C ATOM 0 H ILE A 9 4.792 0.536 5.377 1.00 0.65 H new ATOM 0 HA ILE A 9 3.957 1.932 2.954 1.00 0.68 H new ATOM 0 HB ILE A 9 2.836 -0.646 2.779 1.00 0.91 H new ATOM 0 HG12 ILE A 9 5.425 -0.786 4.084 1.00 0.93 H new ATOM 0 HG13 ILE A 9 4.253 -2.057 3.795 1.00 0.93 H new ATOM 0 HG21 ILE A 9 4.138 -0.859 0.715 1.00 1.34 H new ATOM 0 HG22 ILE A 9 3.417 0.759 0.889 1.00 1.34 H new ATOM 0 HG23 ILE A 9 5.150 0.517 1.217 1.00 1.34 H new ATOM 0 HD11 ILE A 9 6.389 -2.581 2.752 1.00 1.21 H new ATOM 0 HD12 ILE A 9 5.125 -2.362 1.519 1.00 1.21 H new ATOM 0 HD13 ILE A 9 6.315 -1.071 1.813 1.00 1.21 H new ATOM 137 N VAL A 10 1.852 2.309 4.348 1.00 0.51 N ATOM 138 CA VAL A 10 0.524 2.353 4.983 1.00 0.46 C ATOM 139 C VAL A 10 -0.589 2.024 4.009 1.00 0.41 C ATOM 140 O VAL A 10 -0.564 2.410 2.840 1.00 0.44 O ATOM 141 CB VAL A 10 0.182 3.673 5.721 1.00 0.61 C ATOM 142 CG1 VAL A 10 1.306 4.673 5.674 1.00 0.92 C ATOM 143 CG2 VAL A 10 -1.117 4.271 5.214 1.00 0.77 C ATOM 0 H VAL A 10 2.169 3.180 3.921 1.00 0.51 H new ATOM 0 HA VAL A 10 0.592 1.580 5.748 1.00 0.46 H new ATOM 0 HB VAL A 10 0.043 3.415 6.771 1.00 0.61 H new ATOM 0 HG11 VAL A 10 1.011 5.577 6.206 1.00 0.92 H new ATOM 0 HG12 VAL A 10 2.192 4.247 6.145 1.00 0.92 H new ATOM 0 HG13 VAL A 10 1.530 4.920 4.636 1.00 0.92 H new ATOM 0 HG21 VAL A 10 -1.327 5.195 5.753 1.00 0.77 H new ATOM 0 HG22 VAL A 10 -1.028 4.484 4.149 1.00 0.77 H new ATOM 0 HG23 VAL A 10 -1.931 3.564 5.376 1.00 0.77 H new ATOM 153 N ILE A 11 -1.552 1.280 4.524 1.00 0.40 N ATOM 154 CA ILE A 11 -2.807 1.060 3.854 1.00 0.40 C ATOM 155 C ILE A 11 -3.876 1.852 4.577 1.00 0.44 C ATOM 156 O ILE A 11 -4.132 1.636 5.761 1.00 0.50 O ATOM 157 CB ILE A 11 -3.196 -0.435 3.835 1.00 0.47 C ATOM 158 CG1 ILE A 11 -2.137 -1.237 3.114 1.00 0.58 C ATOM 159 CG2 ILE A 11 -4.563 -0.647 3.194 1.00 0.53 C ATOM 160 CD1 ILE A 11 -1.884 -0.707 1.748 1.00 0.59 C ATOM 0 H ILE A 11 -1.477 0.811 5.427 1.00 0.40 H new ATOM 0 HA ILE A 11 -2.711 1.385 2.818 1.00 0.40 H new ATOM 0 HB ILE A 11 -3.261 -0.782 4.866 1.00 0.47 H new ATOM 0 HG12 ILE A 11 -1.211 -1.218 3.689 1.00 0.58 H new ATOM 0 HG13 ILE A 11 -2.451 -2.279 3.048 1.00 0.58 H new ATOM 0 HG21 ILE A 11 -4.805 -1.710 3.197 1.00 0.53 H new ATOM 0 HG22 ILE A 11 -5.318 -0.101 3.759 1.00 0.53 H new ATOM 0 HG23 ILE A 11 -4.544 -0.282 2.167 1.00 0.53 H new ATOM 0 HD11 ILE A 11 -1.117 -1.309 1.261 1.00 0.59 H new ATOM 0 HD12 ILE A 11 -2.804 -0.750 1.165 1.00 0.59 H new ATOM 0 HD13 ILE A 11 -1.545 0.327 1.816 1.00 0.59 H new ATOM 172 N LYS A 12 -4.454 2.797 3.881 1.00 0.46 N ATOM 173 CA LYS A 12 -5.502 3.619 4.454 1.00 0.52 C ATOM 174 C LYS A 12 -6.817 3.264 3.788 1.00 0.50 C ATOM 175 O LYS A 12 -6.830 2.818 2.644 1.00 0.62 O ATOM 176 CB LYS A 12 -5.210 5.108 4.233 1.00 0.55 C ATOM 177 CG LYS A 12 -5.274 5.956 5.489 1.00 0.72 C ATOM 178 CD LYS A 12 -6.599 5.812 6.210 1.00 1.32 C ATOM 179 CE LYS A 12 -6.602 6.596 7.507 1.00 1.65 C ATOM 180 NZ LYS A 12 -7.876 6.426 8.238 1.00 2.08 N ATOM 0 H LYS A 12 -4.220 3.021 2.914 1.00 0.46 H new ATOM 0 HA LYS A 12 -5.552 3.433 5.527 1.00 0.52 H new ATOM 0 HB2 LYS A 12 -4.218 5.209 3.792 1.00 0.55 H new ATOM 0 HB3 LYS A 12 -5.923 5.501 3.508 1.00 0.55 H new ATOM 0 HG2 LYS A 12 -4.464 5.670 6.160 1.00 0.72 H new ATOM 0 HG3 LYS A 12 -5.117 7.002 5.227 1.00 0.72 H new ATOM 0 HD2 LYS A 12 -7.406 6.163 5.567 1.00 1.32 H new ATOM 0 HD3 LYS A 12 -6.791 4.759 6.417 1.00 1.32 H new ATOM 0 HE2 LYS A 12 -5.774 6.267 8.135 1.00 1.65 H new ATOM 0 HE3 LYS A 12 -6.441 7.653 7.295 1.00 1.65 H new ATOM 0 HZ1 LYS A 12 -7.719 6.592 9.253 1.00 2.08 H new ATOM 0 HZ2 LYS A 12 -8.575 7.107 7.880 1.00 2.08 H new ATOM 0 HZ3 LYS A 12 -8.231 5.459 8.097 1.00 2.08 H new ATOM 194 N ASN A 13 -7.909 3.444 4.491 1.00 0.55 N ATOM 195 CA ASN A 13 -9.219 3.307 3.891 1.00 0.59 C ATOM 196 C ASN A 13 -10.129 4.385 4.446 1.00 0.58 C ATOM 197 O ASN A 13 -10.373 4.444 5.645 1.00 0.95 O ATOM 198 CB ASN A 13 -9.788 1.914 4.147 1.00 1.01 C ATOM 199 CG ASN A 13 -11.134 1.692 3.483 1.00 2.06 C ATOM 200 OD1 ASN A 13 -11.947 0.932 3.969 1.00 2.81 O ATOM 201 ND2 ASN A 13 -11.380 2.341 2.357 1.00 2.71 N ATOM 0 H ASN A 13 -7.919 3.686 5.482 1.00 0.55 H new ATOM 0 HA ASN A 13 -9.142 3.429 2.811 1.00 0.59 H new ATOM 0 HB2 ASN A 13 -9.082 1.167 3.784 1.00 1.01 H new ATOM 0 HB3 ASN A 13 -9.889 1.761 5.221 1.00 1.01 H new ATOM 0 HD21 ASN A 13 -12.270 2.209 1.876 1.00 2.71 H new ATOM 0 HD22 ASN A 13 -10.680 2.974 1.970 1.00 2.71 H new ATOM 208 N THR A 14 -10.589 5.264 3.577 1.00 0.47 N ATOM 209 CA THR A 14 -11.344 6.419 4.011 1.00 0.74 C ATOM 210 C THR A 14 -12.268 6.966 2.915 1.00 0.54 C ATOM 211 O THR A 14 -11.947 7.927 2.215 1.00 0.70 O ATOM 212 CB THR A 14 -10.387 7.511 4.513 1.00 1.38 C ATOM 213 OG1 THR A 14 -11.095 8.689 4.901 1.00 1.79 O ATOM 214 CG2 THR A 14 -9.416 7.846 3.435 1.00 1.78 C ATOM 0 H THR A 14 -10.453 5.199 2.568 1.00 0.47 H new ATOM 0 HA THR A 14 -11.990 6.099 4.829 1.00 0.74 H new ATOM 0 HB THR A 14 -9.862 7.130 5.389 1.00 1.38 H new ATOM 0 HG1 THR A 14 -11.386 8.604 5.833 1.00 1.79 H new ATOM 0 HG21 THR A 14 -8.735 8.621 3.787 1.00 1.78 H new ATOM 0 HG22 THR A 14 -8.847 6.956 3.169 1.00 1.78 H new ATOM 0 HG23 THR A 14 -9.955 8.207 2.559 1.00 1.78 H new ATOM 222 N LEU A 15 -13.405 6.319 2.712 1.00 0.49 N ATOM 223 CA LEU A 15 -14.447 6.922 1.914 1.00 0.68 C ATOM 224 C LEU A 15 -15.332 7.715 2.853 1.00 0.84 C ATOM 225 O LEU A 15 -16.181 8.505 2.447 1.00 1.18 O ATOM 226 CB LEU A 15 -15.311 5.907 1.133 1.00 0.88 C ATOM 227 CG LEU A 15 -14.578 4.997 0.157 1.00 0.97 C ATOM 228 CD1 LEU A 15 -13.367 4.447 0.783 1.00 0.90 C ATOM 229 CD2 LEU A 15 -15.486 3.894 -0.355 1.00 1.39 C ATOM 0 H LEU A 15 -13.623 5.394 3.083 1.00 0.49 H new ATOM 0 HA LEU A 15 -13.969 7.546 1.159 1.00 0.68 H new ATOM 0 HB2 LEU A 15 -15.836 5.281 1.854 1.00 0.88 H new ATOM 0 HB3 LEU A 15 -16.070 6.460 0.579 1.00 0.88 H new ATOM 0 HG LEU A 15 -14.276 5.592 -0.705 1.00 0.97 H new ATOM 0 HD11 LEU A 15 -12.853 3.798 0.074 1.00 0.90 H new ATOM 0 HD12 LEU A 15 -12.705 5.263 1.074 1.00 0.90 H new ATOM 0 HD13 LEU A 15 -13.643 3.871 1.666 1.00 0.90 H new ATOM 0 HD21 LEU A 15 -14.934 3.261 -1.050 1.00 1.39 H new ATOM 0 HD22 LEU A 15 -15.836 3.292 0.484 1.00 1.39 H new ATOM 0 HD23 LEU A 15 -16.341 4.335 -0.867 1.00 1.39 H new ATOM 241 N GLY A 16 -15.096 7.462 4.129 1.00 0.72 N ATOM 242 CA GLY A 16 -15.874 8.029 5.193 1.00 0.87 C ATOM 243 C GLY A 16 -16.104 6.995 6.268 1.00 0.77 C ATOM 244 O GLY A 16 -15.511 5.918 6.205 1.00 1.27 O ATOM 0 H GLY A 16 -14.347 6.848 4.449 1.00 0.72 H new ATOM 0 HA2 GLY A 16 -15.358 8.893 5.612 1.00 0.87 H new ATOM 0 HA3 GLY A 16 -16.830 8.384 4.807 1.00 0.87 H new ATOM 248 N PRO A 17 -16.960 7.274 7.255 1.00 0.67 N ATOM 249 CA PRO A 17 -17.168 6.385 8.409 1.00 0.76 C ATOM 250 C PRO A 17 -17.487 4.941 8.015 1.00 0.88 C ATOM 251 O PRO A 17 -18.238 4.694 7.070 1.00 1.27 O ATOM 252 CB PRO A 17 -18.361 7.018 9.126 1.00 1.02 C ATOM 253 CG PRO A 17 -18.306 8.456 8.745 1.00 1.42 C ATOM 254 CD PRO A 17 -17.805 8.480 7.331 1.00 1.13 C ATOM 0 HA PRO A 17 -16.267 6.306 9.018 1.00 0.76 H new ATOM 0 HB2 PRO A 17 -19.300 6.561 8.814 1.00 1.02 H new ATOM 0 HB3 PRO A 17 -18.288 6.891 10.206 1.00 1.02 H new ATOM 0 HG2 PRO A 17 -19.290 8.919 8.820 1.00 1.42 H new ATOM 0 HG3 PRO A 17 -17.641 9.011 9.406 1.00 1.42 H new ATOM 0 HD2 PRO A 17 -18.624 8.444 6.613 1.00 1.13 H new ATOM 0 HD3 PRO A 17 -17.235 9.385 7.120 1.00 1.13 H new ATOM 262 N SER A 18 -16.870 4.000 8.730 1.00 1.06 N ATOM 263 CA SER A 18 -17.156 2.570 8.587 1.00 1.31 C ATOM 264 C SER A 18 -16.766 2.017 7.211 1.00 1.10 C ATOM 265 O SER A 18 -17.367 1.052 6.731 1.00 1.50 O ATOM 266 CB SER A 18 -18.636 2.299 8.870 1.00 1.75 C ATOM 267 OG SER A 18 -19.016 2.827 10.133 1.00 2.18 O ATOM 0 H SER A 18 -16.155 4.208 9.427 1.00 1.06 H new ATOM 0 HA SER A 18 -16.540 2.048 9.319 1.00 1.31 H new ATOM 0 HB2 SER A 18 -19.248 2.745 8.086 1.00 1.75 H new ATOM 0 HB3 SER A 18 -18.824 1.225 8.849 1.00 1.75 H new ATOM 0 HG SER A 18 -19.966 2.644 10.292 1.00 2.18 H new ATOM 273 N ARG A 19 -15.774 2.624 6.573 1.00 0.81 N ATOM 274 CA ARG A 19 -15.172 2.035 5.385 1.00 0.66 C ATOM 275 C ARG A 19 -14.108 1.052 5.813 1.00 0.64 C ATOM 276 O ARG A 19 -13.166 1.433 6.512 1.00 1.02 O ATOM 277 CB ARG A 19 -14.541 3.097 4.479 1.00 0.68 C ATOM 278 CG ARG A 19 -15.477 3.687 3.461 1.00 1.15 C ATOM 279 CD ARG A 19 -16.780 4.141 4.089 1.00 1.94 C ATOM 280 NE ARG A 19 -17.684 4.749 3.115 1.00 2.51 N ATOM 281 CZ ARG A 19 -18.656 5.605 3.428 1.00 3.32 C ATOM 282 NH1 ARG A 19 -18.906 5.898 4.697 1.00 3.76 N ATOM 283 NH2 ARG A 19 -19.400 6.142 2.473 1.00 3.99 N ATOM 0 H ARG A 19 -15.372 3.518 6.856 1.00 0.81 H new ATOM 0 HA ARG A 19 -15.957 1.536 4.818 1.00 0.66 H new ATOM 0 HB2 ARG A 19 -14.149 3.901 5.102 1.00 0.68 H new ATOM 0 HB3 ARG A 19 -13.692 2.654 3.959 1.00 0.68 H new ATOM 0 HG2 ARG A 19 -14.995 4.534 2.972 1.00 1.15 H new ATOM 0 HG3 ARG A 19 -15.685 2.948 2.687 1.00 1.15 H new ATOM 0 HD2 ARG A 19 -17.273 3.288 4.555 1.00 1.94 H new ATOM 0 HD3 ARG A 19 -16.568 4.859 4.882 1.00 1.94 H new ATOM 0 HE ARG A 19 -17.563 4.502 2.133 1.00 2.51 H new ATOM 0 HH11 ARG A 19 -18.353 5.468 5.438 1.00 3.76 H new ATOM 0 HH12 ARG A 19 -19.651 6.554 4.932 1.00 3.76 H new ATOM 0 HH21 ARG A 19 -19.229 5.900 1.497 1.00 3.99 H new ATOM 0 HH22 ARG A 19 -20.144 6.797 2.714 1.00 3.99 H new ATOM 297 N ILE A 20 -14.262 -0.207 5.426 1.00 0.52 N ATOM 298 CA ILE A 20 -13.289 -1.223 5.788 1.00 0.51 C ATOM 299 C ILE A 20 -12.870 -2.041 4.570 1.00 0.54 C ATOM 300 O ILE A 20 -13.654 -2.831 4.040 1.00 0.76 O ATOM 301 CB ILE A 20 -13.821 -2.193 6.863 1.00 0.65 C ATOM 302 CG1 ILE A 20 -14.675 -1.480 7.895 1.00 0.78 C ATOM 303 CG2 ILE A 20 -12.667 -2.860 7.551 1.00 0.72 C ATOM 304 CD1 ILE A 20 -13.913 -0.538 8.775 1.00 0.83 C ATOM 0 H ILE A 20 -15.045 -0.545 4.866 1.00 0.52 H new ATOM 0 HA ILE A 20 -12.433 -0.684 6.194 1.00 0.51 H new ATOM 0 HB ILE A 20 -14.445 -2.933 6.363 1.00 0.65 H new ATOM 0 HG12 ILE A 20 -15.460 -0.925 7.381 1.00 0.78 H new ATOM 0 HG13 ILE A 20 -15.168 -2.225 8.520 1.00 0.78 H new ATOM 0 HG21 ILE A 20 -13.043 -3.545 8.311 1.00 0.72 H new ATOM 0 HG22 ILE A 20 -12.079 -3.415 6.820 1.00 0.72 H new ATOM 0 HG23 ILE A 20 -12.039 -2.105 8.023 1.00 0.72 H new ATOM 0 HD11 ILE A 20 -14.596 -0.070 9.484 1.00 0.83 H new ATOM 0 HD12 ILE A 20 -13.146 -1.089 9.320 1.00 0.83 H new ATOM 0 HD13 ILE A 20 -13.442 0.231 8.163 1.00 0.83 H new ATOM 316 N LEU A 21 -11.639 -1.843 4.127 1.00 0.50 N ATOM 317 CA LEU A 21 -11.080 -2.625 3.028 1.00 0.55 C ATOM 318 C LEU A 21 -9.881 -3.418 3.517 1.00 0.52 C ATOM 319 O LEU A 21 -9.020 -2.888 4.224 1.00 0.75 O ATOM 320 CB LEU A 21 -10.686 -1.736 1.830 1.00 0.72 C ATOM 321 CG LEU A 21 -11.796 -1.493 0.799 1.00 1.39 C ATOM 322 CD1 LEU A 21 -12.879 -0.579 1.347 1.00 2.23 C ATOM 323 CD2 LEU A 21 -11.218 -0.924 -0.484 1.00 2.20 C ATOM 0 H LEU A 21 -11.003 -1.145 4.512 1.00 0.50 H new ATOM 0 HA LEU A 21 -11.852 -3.312 2.680 1.00 0.55 H new ATOM 0 HB2 LEU A 21 -10.349 -0.772 2.210 1.00 0.72 H new ATOM 0 HB3 LEU A 21 -9.836 -2.194 1.323 1.00 0.72 H new ATOM 0 HG LEU A 21 -12.257 -2.456 0.578 1.00 1.39 H new ATOM 0 HD11 LEU A 21 -13.648 -0.430 0.589 1.00 2.23 H new ATOM 0 HD12 LEU A 21 -13.325 -1.033 2.232 1.00 2.23 H new ATOM 0 HD13 LEU A 21 -12.442 0.383 1.615 1.00 2.23 H new ATOM 0 HD21 LEU A 21 -12.021 -0.759 -1.203 1.00 2.20 H new ATOM 0 HD22 LEU A 21 -10.721 0.022 -0.271 1.00 2.20 H new ATOM 0 HD23 LEU A 21 -10.497 -1.627 -0.901 1.00 2.20 H new ATOM 335 N GLN A 22 -9.847 -4.694 3.169 1.00 0.47 N ATOM 336 CA GLN A 22 -8.764 -5.561 3.561 1.00 0.47 C ATOM 337 C GLN A 22 -7.778 -5.715 2.413 1.00 0.42 C ATOM 338 O GLN A 22 -8.172 -5.982 1.283 1.00 0.51 O ATOM 339 CB GLN A 22 -9.327 -6.915 3.992 1.00 0.60 C ATOM 340 CG GLN A 22 -8.264 -7.948 4.286 1.00 0.71 C ATOM 341 CD GLN A 22 -8.829 -9.211 4.904 1.00 0.97 C ATOM 342 OE1 GLN A 22 -9.216 -10.145 4.203 1.00 1.69 O ATOM 343 NE2 GLN A 22 -8.872 -9.253 6.227 1.00 1.34 N ATOM 0 H GLN A 22 -10.568 -5.150 2.610 1.00 0.47 H new ATOM 0 HA GLN A 22 -8.230 -5.124 4.405 1.00 0.47 H new ATOM 0 HB2 GLN A 22 -9.942 -6.777 4.881 1.00 0.60 H new ATOM 0 HB3 GLN A 22 -9.982 -7.293 3.207 1.00 0.60 H new ATOM 0 HG2 GLN A 22 -7.745 -8.202 3.362 1.00 0.71 H new ATOM 0 HG3 GLN A 22 -7.523 -7.519 4.960 1.00 0.71 H new ATOM 0 HE21 GLN A 22 -8.541 -8.458 6.774 1.00 1.34 H new ATOM 0 HE22 GLN A 22 -9.236 -10.081 6.699 1.00 1.34 H new ATOM 352 N TYR A 23 -6.502 -5.532 2.703 1.00 0.42 N ATOM 353 CA TYR A 23 -5.475 -5.618 1.681 1.00 0.42 C ATOM 354 C TYR A 23 -4.609 -6.835 1.933 1.00 0.41 C ATOM 355 O TYR A 23 -4.480 -7.294 3.069 1.00 0.49 O ATOM 356 CB TYR A 23 -4.584 -4.375 1.671 1.00 0.52 C ATOM 357 CG TYR A 23 -3.655 -4.335 2.852 1.00 0.50 C ATOM 358 CD1 TYR A 23 -4.131 -4.059 4.126 1.00 0.54 C ATOM 359 CD2 TYR A 23 -2.302 -4.536 2.683 1.00 0.58 C ATOM 360 CE1 TYR A 23 -3.272 -3.990 5.206 1.00 0.61 C ATOM 361 CE2 TYR A 23 -1.432 -4.474 3.747 1.00 0.63 C ATOM 362 CZ TYR A 23 -1.963 -4.321 5.047 1.00 0.63 C ATOM 363 OH TYR A 23 -1.068 -4.128 6.081 1.00 0.74 O ATOM 0 H TYR A 23 -6.153 -5.323 3.638 1.00 0.42 H new ATOM 0 HA TYR A 23 -5.974 -5.695 0.715 1.00 0.42 H new ATOM 0 HB2 TYR A 23 -4.000 -4.355 0.751 1.00 0.52 H new ATOM 0 HB3 TYR A 23 -5.209 -3.482 1.671 1.00 0.52 H new ATOM 0 HD1 TYR A 23 -5.188 -3.896 4.275 1.00 0.54 H new ATOM 0 HD2 TYR A 23 -1.917 -4.746 1.696 1.00 0.58 H new ATOM 0 HE1 TYR A 23 -3.639 -3.675 6.172 1.00 0.61 H new ATOM 0 HE2 TYR A 23 -0.365 -4.541 3.592 1.00 0.63 H new ATOM 0 HH TYR A 23 -1.034 -4.933 6.639 1.00 0.74 H new ATOM 373 N HIS A 24 -4.026 -7.355 0.879 1.00 0.50 N ATOM 374 CA HIS A 24 -3.017 -8.376 1.012 1.00 0.57 C ATOM 375 C HIS A 24 -1.766 -7.966 0.271 1.00 0.60 C ATOM 376 O HIS A 24 -1.749 -7.944 -0.952 1.00 0.58 O ATOM 377 CB HIS A 24 -3.499 -9.716 0.478 1.00 0.61 C ATOM 378 CG HIS A 24 -2.498 -10.803 0.712 1.00 0.71 C ATOM 379 ND1 HIS A 24 -1.424 -10.644 1.564 1.00 0.75 N ATOM 380 CD2 HIS A 24 -2.385 -12.043 0.191 1.00 0.85 C ATOM 381 CE1 HIS A 24 -0.695 -11.742 1.555 1.00 0.88 C ATOM 382 NE2 HIS A 24 -1.255 -12.608 0.732 1.00 0.94 N ATOM 0 H HIS A 24 -4.235 -7.086 -0.083 1.00 0.50 H new ATOM 0 HA HIS A 24 -2.802 -8.488 2.075 1.00 0.57 H new ATOM 0 HB2 HIS A 24 -4.441 -9.981 0.958 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -3.699 -9.630 -0.590 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -1.226 -9.808 2.114 1.00 0.75 H new ATOM 0 HD2 HIS A 24 -3.056 -12.505 -0.518 1.00 0.85 H new ATOM 0 HE1 HIS A 24 0.208 -11.905 2.125 1.00 0.88 H new ATOM 391 N CYS A 25 -0.722 -7.651 1.005 1.00 0.71 N ATOM 392 CA CYS A 25 0.519 -7.265 0.377 1.00 0.74 C ATOM 393 C CYS A 25 1.541 -8.397 0.410 1.00 0.91 C ATOM 394 O CYS A 25 1.900 -8.895 1.474 1.00 1.01 O ATOM 395 CB CYS A 25 1.065 -5.995 1.025 1.00 0.79 C ATOM 396 SG CYS A 25 1.570 -4.734 -0.182 1.00 1.12 S ATOM 0 H CYS A 25 -0.708 -7.654 2.025 1.00 0.71 H new ATOM 0 HA CYS A 25 0.319 -7.053 -0.673 1.00 0.74 H new ATOM 0 HB2 CYS A 25 0.304 -5.575 1.683 1.00 0.79 H new ATOM 0 HB3 CYS A 25 1.920 -6.253 1.650 1.00 0.79 H new ATOM 401 N ARG A 26 1.938 -8.843 -0.782 1.00 1.14 N ATOM 402 CA ARG A 26 2.935 -9.905 -0.944 1.00 1.38 C ATOM 403 C ARG A 26 3.601 -9.797 -2.315 1.00 1.87 C ATOM 404 O ARG A 26 2.908 -9.579 -3.306 1.00 2.24 O ATOM 405 CB ARG A 26 2.296 -11.292 -0.789 1.00 1.45 C ATOM 406 CG ARG A 26 1.238 -11.610 -1.836 1.00 2.13 C ATOM 407 CD ARG A 26 0.806 -13.065 -1.766 1.00 2.66 C ATOM 408 NE ARG A 26 1.896 -13.986 -2.092 1.00 3.26 N ATOM 409 CZ ARG A 26 1.816 -15.310 -1.963 1.00 4.00 C ATOM 410 NH1 ARG A 26 0.720 -15.867 -1.467 1.00 4.21 N ATOM 411 NH2 ARG A 26 2.836 -16.074 -2.327 1.00 4.86 N ATOM 0 H ARG A 26 1.578 -8.479 -1.664 1.00 1.14 H new ATOM 0 HA ARG A 26 3.686 -9.782 -0.164 1.00 1.38 H new ATOM 0 HB2 ARG A 26 3.079 -12.048 -0.838 1.00 1.45 H new ATOM 0 HB3 ARG A 26 1.845 -11.364 0.201 1.00 1.45 H new ATOM 0 HG2 ARG A 26 0.372 -10.965 -1.688 1.00 2.13 H new ATOM 0 HG3 ARG A 26 1.631 -11.393 -2.829 1.00 2.13 H new ATOM 0 HD2 ARG A 26 0.436 -13.284 -0.764 1.00 2.66 H new ATOM 0 HD3 ARG A 26 -0.023 -13.229 -2.455 1.00 2.66 H new ATOM 0 HE ARG A 26 2.770 -13.590 -2.439 1.00 3.26 H new ATOM 0 HH11 ARG A 26 -0.066 -15.282 -1.183 1.00 4.21 H new ATOM 0 HH12 ARG A 26 0.662 -16.881 -1.370 1.00 4.21 H new ATOM 0 HH21 ARG A 26 3.682 -15.649 -2.706 1.00 4.86 H new ATOM 0 HH22 ARG A 26 2.775 -17.087 -2.228 1.00 4.86 H new ATOM 425 N SER A 27 4.927 -9.931 -2.372 1.00 2.10 N ATOM 426 CA SER A 27 5.657 -9.994 -3.646 1.00 2.66 C ATOM 427 C SER A 27 7.119 -10.366 -3.411 1.00 2.39 C ATOM 428 O SER A 27 7.590 -10.364 -2.274 1.00 2.70 O ATOM 429 CB SER A 27 5.595 -8.663 -4.412 1.00 3.73 C ATOM 430 OG SER A 27 4.343 -8.477 -5.049 1.00 4.43 O ATOM 0 H SER A 27 5.523 -9.999 -1.547 1.00 2.10 H new ATOM 0 HA SER A 27 5.172 -10.762 -4.249 1.00 2.66 H new ATOM 0 HB2 SER A 27 5.777 -7.839 -3.723 1.00 3.73 H new ATOM 0 HB3 SER A 27 6.389 -8.636 -5.158 1.00 3.73 H new ATOM 0 HG SER A 27 3.710 -9.154 -4.730 1.00 4.43 H new ATOM 436 N GLY A 28 7.818 -10.715 -4.488 1.00 2.45 N ATOM 437 CA GLY A 28 9.259 -10.900 -4.428 1.00 2.54 C ATOM 438 C GLY A 28 9.674 -12.172 -3.713 1.00 2.68 C ATOM 439 O GLY A 28 10.196 -13.101 -4.331 1.00 3.22 O ATOM 0 H GLY A 28 7.408 -10.874 -5.408 1.00 2.45 H new ATOM 0 HA2 GLY A 28 9.658 -10.915 -5.442 1.00 2.54 H new ATOM 0 HA3 GLY A 28 9.707 -10.045 -3.922 1.00 2.54 H new ATOM 443 N ASN A 29 9.430 -12.200 -2.416 1.00 2.60 N ATOM 444 CA ASN A 29 9.826 -13.305 -1.551 1.00 2.96 C ATOM 445 C ASN A 29 9.234 -13.091 -0.166 1.00 2.76 C ATOM 446 O ASN A 29 8.911 -14.045 0.544 1.00 3.04 O ATOM 447 CB ASN A 29 11.356 -13.407 -1.463 1.00 3.49 C ATOM 448 CG ASN A 29 11.822 -14.500 -0.513 1.00 4.17 C ATOM 449 OD1 ASN A 29 11.890 -15.673 -0.882 1.00 4.66 O ATOM 450 ND2 ASN A 29 12.184 -14.121 0.704 1.00 4.63 N ATOM 0 H ASN A 29 8.946 -11.449 -1.924 1.00 2.60 H new ATOM 0 HA ASN A 29 9.450 -14.238 -1.971 1.00 2.96 H new ATOM 0 HB2 ASN A 29 11.760 -13.600 -2.457 1.00 3.49 H new ATOM 0 HB3 ASN A 29 11.761 -12.450 -1.134 1.00 3.49 H new ATOM 0 HD21 ASN A 29 12.533 -14.810 1.370 1.00 4.63 H new ATOM 0 HD22 ASN A 29 12.114 -13.140 0.975 1.00 4.63 H new ATOM 457 N THR A 30 9.085 -11.827 0.202 1.00 2.45 N ATOM 458 CA THR A 30 8.536 -11.462 1.490 1.00 2.33 C ATOM 459 C THR A 30 7.022 -11.330 1.419 1.00 2.07 C ATOM 460 O THR A 30 6.486 -10.633 0.554 1.00 2.10 O ATOM 461 CB THR A 30 9.165 -10.150 1.984 1.00 2.45 C ATOM 462 OG1 THR A 30 9.201 -9.189 0.915 1.00 2.93 O ATOM 463 CG2 THR A 30 10.567 -10.411 2.494 1.00 2.70 C ATOM 0 H THR A 30 9.341 -11.032 -0.384 1.00 2.45 H new ATOM 0 HA THR A 30 8.774 -12.255 2.199 1.00 2.33 H new ATOM 0 HB THR A 30 8.560 -9.750 2.798 1.00 2.45 H new ATOM 0 HG1 THR A 30 8.686 -8.396 1.171 1.00 2.93 H new ATOM 0 HG21 THR A 30 11.007 -9.477 2.843 1.00 2.70 H new ATOM 0 HG22 THR A 30 10.528 -11.123 3.318 1.00 2.70 H new ATOM 0 HG23 THR A 30 11.177 -10.821 1.689 1.00 2.70 H new ATOM 471 N ASN A 31 6.341 -12.006 2.326 1.00 1.97 N ATOM 472 CA ASN A 31 4.885 -12.050 2.304 1.00 1.75 C ATOM 473 C ASN A 31 4.289 -12.191 3.704 1.00 1.78 C ATOM 474 O ASN A 31 4.268 -13.272 4.287 1.00 2.34 O ATOM 475 CB ASN A 31 4.387 -13.174 1.369 1.00 2.09 C ATOM 476 CG ASN A 31 5.165 -14.484 1.471 1.00 2.43 C ATOM 477 OD1 ASN A 31 5.408 -15.142 0.459 1.00 2.89 O ATOM 478 ND2 ASN A 31 5.528 -14.897 2.674 1.00 2.98 N ATOM 0 H ASN A 31 6.769 -12.532 3.087 1.00 1.97 H new ATOM 0 HA ASN A 31 4.538 -11.095 1.910 1.00 1.75 H new ATOM 0 HB2 ASN A 31 3.338 -13.373 1.589 1.00 2.09 H new ATOM 0 HB3 ASN A 31 4.435 -12.819 0.340 1.00 2.09 H new ATOM 0 HD21 ASN A 31 6.023 -15.782 2.781 1.00 2.98 H new ATOM 0 HD22 ASN A 31 5.313 -14.330 3.494 1.00 2.98 H new ATOM 485 N VAL A 32 3.821 -11.074 4.242 1.00 1.39 N ATOM 486 CA VAL A 32 3.127 -11.053 5.519 1.00 1.52 C ATOM 487 C VAL A 32 2.264 -9.797 5.635 1.00 1.38 C ATOM 488 O VAL A 32 2.765 -8.700 5.889 1.00 2.10 O ATOM 489 CB VAL A 32 4.077 -11.185 6.708 1.00 2.13 C ATOM 490 CG1 VAL A 32 5.289 -10.414 6.388 1.00 2.68 C ATOM 491 CG2 VAL A 32 3.433 -10.728 8.011 1.00 2.64 C ATOM 0 H VAL A 32 3.912 -10.157 3.804 1.00 1.39 H new ATOM 0 HA VAL A 32 2.478 -11.928 5.549 1.00 1.52 H new ATOM 0 HB VAL A 32 4.331 -12.232 6.870 1.00 2.13 H new ATOM 0 HG11 VAL A 32 5.994 -10.484 7.216 1.00 2.68 H new ATOM 0 HG12 VAL A 32 5.748 -10.816 5.485 1.00 2.68 H new ATOM 0 HG13 VAL A 32 5.023 -9.369 6.225 1.00 2.68 H new ATOM 0 HG21 VAL A 32 4.146 -10.840 8.828 1.00 2.64 H new ATOM 0 HG22 VAL A 32 3.141 -9.681 7.925 1.00 2.64 H new ATOM 0 HG23 VAL A 32 2.551 -11.335 8.213 1.00 2.64 H new ATOM 501 N GLY A 33 0.969 -9.947 5.395 1.00 1.00 N ATOM 502 CA GLY A 33 0.081 -8.810 5.494 1.00 1.43 C ATOM 503 C GLY A 33 -1.254 -9.013 4.807 1.00 0.99 C ATOM 504 O GLY A 33 -1.377 -8.780 3.600 1.00 1.13 O ATOM 0 H GLY A 33 0.522 -10.827 5.136 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -0.093 -8.588 6.547 1.00 1.43 H new ATOM 0 HA3 GLY A 33 0.573 -7.939 5.061 1.00 1.43 H new ATOM 508 N VAL A 34 -2.248 -9.460 5.567 1.00 0.80 N ATOM 509 CA VAL A 34 -3.632 -9.472 5.103 1.00 0.56 C ATOM 510 C VAL A 34 -4.528 -8.878 6.189 1.00 0.63 C ATOM 511 O VAL A 34 -4.995 -9.602 7.068 1.00 1.03 O ATOM 512 CB VAL A 34 -4.170 -10.880 4.792 1.00 0.89 C ATOM 513 CG1 VAL A 34 -5.510 -10.764 4.080 1.00 1.17 C ATOM 514 CG2 VAL A 34 -3.187 -11.673 3.962 1.00 1.06 C ATOM 0 H VAL A 34 -2.120 -9.821 6.512 1.00 0.80 H new ATOM 0 HA VAL A 34 -3.646 -8.893 4.179 1.00 0.56 H new ATOM 0 HB VAL A 34 -4.308 -11.417 5.730 1.00 0.89 H new ATOM 0 HG11 VAL A 34 -5.892 -11.761 3.859 1.00 1.17 H new ATOM 0 HG12 VAL A 34 -6.218 -10.238 4.720 1.00 1.17 H new ATOM 0 HG13 VAL A 34 -5.381 -10.211 3.150 1.00 1.17 H new ATOM 0 HG21 VAL A 34 -3.597 -12.663 3.760 1.00 1.06 H new ATOM 0 HG22 VAL A 34 -3.006 -11.156 3.020 1.00 1.06 H new ATOM 0 HG23 VAL A 34 -2.248 -11.774 4.507 1.00 1.06 H new ATOM 524 N GLN A 35 -4.761 -7.578 6.156 1.00 0.63 N ATOM 525 CA GLN A 35 -5.457 -6.922 7.224 1.00 0.85 C ATOM 526 C GLN A 35 -6.441 -5.883 6.679 1.00 0.70 C ATOM 527 O GLN A 35 -6.307 -5.435 5.544 1.00 0.82 O ATOM 528 CB GLN A 35 -4.408 -6.291 8.128 1.00 1.45 C ATOM 529 CG GLN A 35 -4.999 -5.470 9.228 1.00 2.06 C ATOM 530 CD GLN A 35 -4.047 -5.253 10.391 1.00 2.71 C ATOM 531 OE1 GLN A 35 -4.081 -4.216 11.050 1.00 3.16 O ATOM 532 NE2 GLN A 35 -3.198 -6.234 10.662 1.00 3.28 N ATOM 0 H GLN A 35 -4.474 -6.963 5.395 1.00 0.63 H new ATOM 0 HA GLN A 35 -6.054 -7.635 7.793 1.00 0.85 H new ATOM 0 HB2 GLN A 35 -3.790 -7.077 8.561 1.00 1.45 H new ATOM 0 HB3 GLN A 35 -3.750 -5.663 7.527 1.00 1.45 H new ATOM 0 HG2 GLN A 35 -5.300 -4.502 8.828 1.00 2.06 H new ATOM 0 HG3 GLN A 35 -5.902 -5.959 9.593 1.00 2.06 H new ATOM 0 HE21 GLN A 35 -3.198 -7.081 10.093 1.00 3.28 H new ATOM 0 HE22 GLN A 35 -2.544 -6.142 11.439 1.00 3.28 H new ATOM 541 N TYR A 36 -7.438 -5.523 7.482 1.00 0.78 N ATOM 542 CA TYR A 36 -8.453 -4.562 7.067 1.00 0.73 C ATOM 543 C TYR A 36 -8.290 -3.241 7.797 1.00 0.78 C ATOM 544 O TYR A 36 -7.743 -3.201 8.899 1.00 1.06 O ATOM 545 CB TYR A 36 -9.843 -5.113 7.297 1.00 0.94 C ATOM 546 CG TYR A 36 -10.059 -5.556 8.700 1.00 1.62 C ATOM 547 CD1 TYR A 36 -9.622 -6.790 9.101 1.00 2.09 C ATOM 548 CD2 TYR A 36 -10.694 -4.743 9.608 1.00 2.13 C ATOM 549 CE1 TYR A 36 -9.814 -7.226 10.395 1.00 3.04 C ATOM 550 CE2 TYR A 36 -10.896 -5.154 10.904 1.00 3.13 C ATOM 551 CZ TYR A 36 -10.456 -6.401 11.298 1.00 3.57 C ATOM 552 OH TYR A 36 -10.654 -6.820 12.594 1.00 4.60 O ATOM 0 H TYR A 36 -7.564 -5.884 8.427 1.00 0.78 H new ATOM 0 HA TYR A 36 -8.319 -4.384 6.000 1.00 0.73 H new ATOM 0 HB2 TYR A 36 -10.579 -4.350 7.044 1.00 0.94 H new ATOM 0 HB3 TYR A 36 -10.012 -5.954 6.624 1.00 0.94 H new ATOM 0 HD1 TYR A 36 -9.119 -7.432 8.393 1.00 2.09 H new ATOM 0 HD2 TYR A 36 -11.039 -3.767 9.299 1.00 2.13 H new ATOM 0 HE1 TYR A 36 -9.466 -8.202 10.699 1.00 3.04 H new ATOM 0 HE2 TYR A 36 -11.395 -4.506 11.609 1.00 3.13 H new ATOM 0 HH TYR A 36 -11.119 -6.119 13.097 1.00 4.60 H new ATOM 562 N LEU A 37 -8.765 -2.163 7.185 1.00 0.72 N ATOM 563 CA LEU A 37 -8.578 -0.836 7.751 1.00 0.89 C ATOM 564 C LEU A 37 -9.871 -0.066 7.882 1.00 0.70 C ATOM 565 O LEU A 37 -10.796 -0.240 7.097 1.00 0.61 O ATOM 566 CB LEU A 37 -7.593 -0.026 6.929 1.00 1.23 C ATOM 567 CG LEU A 37 -6.130 -0.392 7.137 1.00 1.93 C ATOM 568 CD1 LEU A 37 -5.844 -0.524 8.627 1.00 2.72 C ATOM 569 CD2 LEU A 37 -5.789 -1.672 6.386 1.00 2.57 C ATOM 0 H LEU A 37 -9.278 -2.182 6.304 1.00 0.72 H new ATOM 0 HA LEU A 37 -8.180 -0.992 8.754 1.00 0.89 H new ATOM 0 HB2 LEU A 37 -7.836 -0.148 5.874 1.00 1.23 H new ATOM 0 HB3 LEU A 37 -7.726 1.029 7.167 1.00 1.23 H new ATOM 0 HG LEU A 37 -5.497 0.399 6.735 1.00 1.93 H new ATOM 0 HD11 LEU A 37 -4.796 -0.786 8.775 1.00 2.72 H new ATOM 0 HD12 LEU A 37 -6.054 0.423 9.123 1.00 2.72 H new ATOM 0 HD13 LEU A 37 -6.476 -1.304 9.051 1.00 2.72 H new ATOM 0 HD21 LEU A 37 -4.739 -1.919 6.546 1.00 2.57 H new ATOM 0 HD22 LEU A 37 -6.413 -2.487 6.753 1.00 2.57 H new ATOM 0 HD23 LEU A 37 -5.970 -1.528 5.321 1.00 2.57 H new ATOM 581 N ASN A 38 -9.904 0.788 8.890 1.00 0.78 N ATOM 582 CA ASN A 38 -11.050 1.630 9.163 1.00 0.73 C ATOM 583 C ASN A 38 -10.799 3.033 8.632 1.00 0.68 C ATOM 584 O ASN A 38 -9.659 3.409 8.354 1.00 0.75 O ATOM 585 CB ASN A 38 -11.303 1.711 10.673 1.00 0.94 C ATOM 586 CG ASN A 38 -10.968 0.427 11.409 1.00 1.62 C ATOM 587 OD1 ASN A 38 -9.836 0.237 11.854 1.00 2.32 O ATOM 588 ND2 ASN A 38 -11.944 -0.452 11.560 1.00 2.29 N ATOM 0 H ASN A 38 -9.132 0.916 9.544 1.00 0.78 H new ATOM 0 HA ASN A 38 -11.921 1.197 8.671 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -10.711 2.525 11.090 1.00 0.94 H new ATOM 0 HB3 ASN A 38 -12.351 1.958 10.846 1.00 0.94 H new ATOM 0 HD21 ASN A 38 -11.772 -1.324 12.060 1.00 2.29 H new ATOM 0 HD22 ASN A 38 -12.869 -0.258 11.176 1.00 2.29 H new ATOM 595 N PHE A 39 -11.861 3.821 8.540 1.00 0.68 N ATOM 596 CA PHE A 39 -11.756 5.228 8.151 1.00 0.72 C ATOM 597 C PHE A 39 -10.935 6.013 9.165 1.00 0.83 C ATOM 598 O PHE A 39 -10.408 7.091 8.886 1.00 1.66 O ATOM 599 CB PHE A 39 -13.153 5.814 7.994 1.00 0.85 C ATOM 600 CG PHE A 39 -13.233 7.309 8.109 1.00 1.07 C ATOM 601 CD1 PHE A 39 -12.903 8.137 7.043 1.00 1.35 C ATOM 602 CD2 PHE A 39 -13.661 7.883 9.292 1.00 1.43 C ATOM 603 CE1 PHE A 39 -13.002 9.511 7.166 1.00 1.80 C ATOM 604 CE2 PHE A 39 -13.757 9.254 9.420 1.00 1.87 C ATOM 605 CZ PHE A 39 -13.428 10.069 8.354 1.00 2.03 C ATOM 0 H PHE A 39 -12.814 3.511 8.730 1.00 0.68 H new ATOM 0 HA PHE A 39 -11.237 5.298 7.195 1.00 0.72 H new ATOM 0 HB2 PHE A 39 -13.547 5.518 7.022 1.00 0.85 H new ATOM 0 HB3 PHE A 39 -13.803 5.372 8.749 1.00 0.85 H new ATOM 0 HD1 PHE A 39 -12.567 7.705 6.112 1.00 1.35 H new ATOM 0 HD2 PHE A 39 -13.924 7.250 10.127 1.00 1.43 H new ATOM 0 HE1 PHE A 39 -12.746 10.147 6.332 1.00 1.80 H new ATOM 0 HE2 PHE A 39 -14.089 9.689 10.351 1.00 1.87 H new ATOM 0 HZ PHE A 39 -13.504 11.142 8.450 1.00 2.03 H new ATOM 615 N LYS A 40 -10.818 5.437 10.332 1.00 0.86 N ATOM 616 CA LYS A 40 -10.049 6.017 11.423 1.00 0.97 C ATOM 617 C LYS A 40 -8.632 5.419 11.495 1.00 0.72 C ATOM 618 O LYS A 40 -7.780 5.914 12.232 1.00 1.17 O ATOM 619 CB LYS A 40 -10.794 5.778 12.740 1.00 1.52 C ATOM 620 CG LYS A 40 -10.106 6.351 13.968 1.00 2.18 C ATOM 621 CD LYS A 40 -10.872 6.026 15.239 1.00 2.89 C ATOM 622 CE LYS A 40 -10.123 6.492 16.478 1.00 3.36 C ATOM 623 NZ LYS A 40 -8.818 5.797 16.633 1.00 3.76 N ATOM 0 H LYS A 40 -11.254 4.544 10.563 1.00 0.86 H new ATOM 0 HA LYS A 40 -9.942 7.087 11.245 1.00 0.97 H new ATOM 0 HB2 LYS A 40 -11.791 6.212 12.662 1.00 1.52 H new ATOM 0 HB3 LYS A 40 -10.923 4.705 12.880 1.00 1.52 H new ATOM 0 HG2 LYS A 40 -9.095 5.951 14.039 1.00 2.18 H new ATOM 0 HG3 LYS A 40 -10.015 7.432 13.864 1.00 2.18 H new ATOM 0 HD2 LYS A 40 -11.852 6.501 15.205 1.00 2.89 H new ATOM 0 HD3 LYS A 40 -11.041 4.951 15.298 1.00 2.89 H new ATOM 0 HE2 LYS A 40 -9.956 7.567 16.418 1.00 3.36 H new ATOM 0 HE3 LYS A 40 -10.736 6.313 17.361 1.00 3.36 H new ATOM 0 HZ1 LYS A 40 -8.467 5.930 17.603 1.00 3.76 H new ATOM 0 HZ2 LYS A 40 -8.941 4.781 16.446 1.00 3.76 H new ATOM 0 HZ3 LYS A 40 -8.132 6.193 15.959 1.00 3.76 H new ATOM 637 N GLY A 41 -8.361 4.390 10.696 1.00 0.71 N ATOM 638 CA GLY A 41 -7.149 3.629 10.884 1.00 1.13 C ATOM 639 C GLY A 41 -6.282 3.513 9.644 1.00 0.94 C ATOM 640 O GLY A 41 -6.775 3.397 8.523 1.00 1.09 O ATOM 0 H GLY A 41 -8.956 4.076 9.930 1.00 0.71 H new ATOM 0 HA2 GLY A 41 -6.564 4.091 11.679 1.00 1.13 H new ATOM 0 HA3 GLY A 41 -7.413 2.627 11.223 1.00 1.13 H new ATOM 644 N THR A 42 -4.987 3.594 9.872 1.00 0.82 N ATOM 645 CA THR A 42 -3.967 3.256 8.892 1.00 0.68 C ATOM 646 C THR A 42 -3.429 1.864 9.191 1.00 0.65 C ATOM 647 O THR A 42 -3.714 1.301 10.249 1.00 0.75 O ATOM 648 CB THR A 42 -2.797 4.247 8.956 1.00 0.69 C ATOM 649 OG1 THR A 42 -2.739 4.858 10.252 1.00 0.81 O ATOM 650 CG2 THR A 42 -2.922 5.306 7.882 1.00 0.71 C ATOM 0 H THR A 42 -4.602 3.904 10.764 1.00 0.82 H new ATOM 0 HA THR A 42 -4.418 3.296 7.900 1.00 0.68 H new ATOM 0 HB THR A 42 -1.873 3.696 8.781 1.00 0.69 H new ATOM 0 HG1 THR A 42 -1.988 5.487 10.284 1.00 0.81 H new ATOM 0 HG21 THR A 42 -2.080 5.995 7.950 1.00 0.71 H new ATOM 0 HG22 THR A 42 -2.923 4.831 6.901 1.00 0.71 H new ATOM 0 HG23 THR A 42 -3.853 5.856 8.020 1.00 0.71 H new ATOM 658 N ARG A 43 -2.658 1.313 8.278 1.00 0.58 N ATOM 659 CA ARG A 43 -2.001 0.048 8.522 1.00 0.58 C ATOM 660 C ARG A 43 -0.590 0.174 8.060 1.00 0.52 C ATOM 661 O ARG A 43 -0.330 0.187 6.861 1.00 0.50 O ATOM 662 CB ARG A 43 -2.666 -1.093 7.763 1.00 0.67 C ATOM 663 CG ARG A 43 -2.979 -2.307 8.630 1.00 0.86 C ATOM 664 CD ARG A 43 -1.787 -3.244 8.798 1.00 1.27 C ATOM 665 NE ARG A 43 -0.663 -2.647 9.522 1.00 1.59 N ATOM 666 CZ ARG A 43 -0.490 -2.749 10.841 1.00 2.26 C ATOM 667 NH1 ARG A 43 -1.443 -3.274 11.602 1.00 2.74 N ATOM 668 NH2 ARG A 43 0.626 -2.303 11.403 1.00 3.01 N ATOM 0 H ARG A 43 -2.471 1.721 7.362 1.00 0.58 H new ATOM 0 HA ARG A 43 -2.062 -0.181 9.586 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -3.591 -0.729 7.316 1.00 0.67 H new ATOM 0 HB3 ARG A 43 -2.015 -1.401 6.944 1.00 0.67 H new ATOM 0 HG2 ARG A 43 -3.310 -1.969 9.612 1.00 0.86 H new ATOM 0 HG3 ARG A 43 -3.808 -2.859 8.187 1.00 0.86 H new ATOM 0 HD2 ARG A 43 -2.113 -4.140 9.327 1.00 1.27 H new ATOM 0 HD3 ARG A 43 -1.445 -3.562 7.813 1.00 1.27 H new ATOM 0 HE ARG A 43 0.028 -2.122 8.986 1.00 1.59 H new ATOM 0 HH11 ARG A 43 -2.311 -3.601 11.179 1.00 2.74 H new ATOM 0 HH12 ARG A 43 -1.307 -3.350 12.610 1.00 2.74 H new ATOM 0 HH21 ARG A 43 1.354 -1.881 10.826 1.00 3.01 H new ATOM 0 HH22 ARG A 43 0.756 -2.382 12.412 1.00 3.01 H new ATOM 682 N ILE A 44 0.325 0.262 8.986 1.00 0.52 N ATOM 683 CA ILE A 44 1.684 0.451 8.596 1.00 0.51 C ATOM 684 C ILE A 44 2.489 -0.794 8.782 1.00 0.58 C ATOM 685 O ILE A 44 2.757 -1.249 9.893 1.00 0.66 O ATOM 686 CB ILE A 44 2.360 1.628 9.282 1.00 0.53 C ATOM 687 CG1 ILE A 44 1.593 2.895 8.959 1.00 0.56 C ATOM 688 CG2 ILE A 44 3.775 1.747 8.758 1.00 0.59 C ATOM 689 CD1 ILE A 44 0.513 3.266 9.961 1.00 0.61 C ATOM 0 H ILE A 44 0.156 0.207 9.990 1.00 0.52 H new ATOM 0 HA ILE A 44 1.646 0.691 7.533 1.00 0.51 H new ATOM 0 HB ILE A 44 2.377 1.478 10.361 1.00 0.53 H new ATOM 0 HG12 ILE A 44 2.300 3.721 8.887 1.00 0.56 H new ATOM 0 HG13 ILE A 44 1.133 2.783 7.977 1.00 0.56 H new ATOM 0 HG21 ILE A 44 4.273 2.588 9.241 1.00 0.59 H new ATOM 0 HG22 ILE A 44 4.321 0.829 8.974 1.00 0.59 H new ATOM 0 HG23 ILE A 44 3.751 1.910 7.681 1.00 0.59 H new ATOM 0 HD11 ILE A 44 0.022 4.186 9.643 1.00 0.61 H new ATOM 0 HD12 ILE A 44 -0.222 2.463 10.018 1.00 0.61 H new ATOM 0 HD13 ILE A 44 0.963 3.416 10.942 1.00 0.61 H new ATOM 701 N ILE A 45 2.819 -1.345 7.655 1.00 0.61 N ATOM 702 CA ILE A 45 3.652 -2.469 7.532 1.00 0.74 C ATOM 703 C ILE A 45 4.982 -1.983 6.981 1.00 0.77 C ATOM 704 O ILE A 45 5.026 -0.942 6.331 1.00 0.79 O ATOM 705 CB ILE A 45 2.944 -3.430 6.617 1.00 0.95 C ATOM 706 CG1 ILE A 45 3.908 -4.043 5.694 1.00 1.11 C ATOM 707 CG2 ILE A 45 1.811 -2.750 5.854 1.00 1.62 C ATOM 708 CD1 ILE A 45 3.180 -4.635 4.571 1.00 1.20 C ATOM 0 H ILE A 45 2.489 -0.993 6.756 1.00 0.61 H new ATOM 0 HA ILE A 45 3.853 -2.981 8.473 1.00 0.74 H new ATOM 0 HB ILE A 45 2.493 -4.213 7.227 1.00 0.95 H new ATOM 0 HG12 ILE A 45 4.613 -3.294 5.333 1.00 1.11 H new ATOM 0 HG13 ILE A 45 4.490 -4.806 6.210 1.00 1.11 H new ATOM 0 HG21 ILE A 45 1.323 -3.476 5.203 1.00 1.62 H new ATOM 0 HG22 ILE A 45 1.084 -2.351 6.561 1.00 1.62 H new ATOM 0 HG23 ILE A 45 2.215 -1.937 5.251 1.00 1.62 H new ATOM 0 HD11 ILE A 45 3.887 -5.093 3.880 1.00 1.20 H new ATOM 0 HD12 ILE A 45 2.493 -5.395 4.943 1.00 1.20 H new ATOM 0 HD13 ILE A 45 2.617 -3.859 4.053 1.00 1.20 H new ATOM 720 N LYS A 46 6.061 -2.673 7.269 1.00 0.90 N ATOM 721 CA LYS A 46 7.360 -2.204 6.837 1.00 0.97 C ATOM 722 C LYS A 46 8.324 -3.353 6.654 1.00 1.10 C ATOM 723 O LYS A 46 8.389 -4.265 7.474 1.00 1.20 O ATOM 724 CB LYS A 46 7.925 -1.174 7.816 1.00 1.10 C ATOM 725 CG LYS A 46 8.086 -1.678 9.239 1.00 1.35 C ATOM 726 CD LYS A 46 8.653 -0.592 10.135 1.00 1.85 C ATOM 727 CE LYS A 46 8.847 -1.080 11.559 1.00 2.11 C ATOM 728 NZ LYS A 46 7.563 -1.473 12.193 1.00 2.65 N ATOM 0 H LYS A 46 6.069 -3.548 7.793 1.00 0.90 H new ATOM 0 HA LYS A 46 7.230 -1.718 5.870 1.00 0.97 H new ATOM 0 HB2 LYS A 46 8.896 -0.839 7.451 1.00 1.10 H new ATOM 0 HB3 LYS A 46 7.270 -0.303 7.825 1.00 1.10 H new ATOM 0 HG2 LYS A 46 7.121 -2.007 9.625 1.00 1.35 H new ATOM 0 HG3 LYS A 46 8.746 -2.546 9.250 1.00 1.35 H new ATOM 0 HD2 LYS A 46 9.608 -0.252 9.734 1.00 1.85 H new ATOM 0 HD3 LYS A 46 7.982 0.267 10.133 1.00 1.85 H new ATOM 0 HE2 LYS A 46 9.528 -1.931 11.561 1.00 2.11 H new ATOM 0 HE3 LYS A 46 9.318 -0.295 12.150 1.00 2.11 H new ATOM 0 HZ1 LYS A 46 7.710 -1.621 13.212 1.00 2.65 H new ATOM 0 HZ2 LYS A 46 6.860 -0.720 12.050 1.00 2.65 H new ATOM 0 HZ3 LYS A 46 7.218 -2.354 11.762 1.00 2.65 H new ATOM 742 N PHE A 47 9.084 -3.275 5.579 1.00 1.20 N ATOM 743 CA PHE A 47 9.951 -4.354 5.158 1.00 1.41 C ATOM 744 C PHE A 47 10.884 -3.864 4.070 1.00 1.59 C ATOM 745 O PHE A 47 10.425 -3.381 3.034 1.00 1.68 O ATOM 746 CB PHE A 47 9.132 -5.495 4.576 1.00 1.50 C ATOM 747 CG PHE A 47 9.161 -6.784 5.348 1.00 1.87 C ATOM 748 CD1 PHE A 47 8.358 -6.941 6.460 1.00 2.53 C ATOM 749 CD2 PHE A 47 10.007 -7.820 4.984 1.00 2.17 C ATOM 750 CE1 PHE A 47 8.390 -8.107 7.195 1.00 3.14 C ATOM 751 CE2 PHE A 47 10.043 -8.991 5.714 1.00 2.69 C ATOM 752 CZ PHE A 47 9.199 -9.193 6.726 1.00 3.10 C ATOM 0 H PHE A 47 9.116 -2.456 4.971 1.00 1.20 H new ATOM 0 HA PHE A 47 10.512 -4.696 6.028 1.00 1.41 H new ATOM 0 HB2 PHE A 47 8.096 -5.167 4.493 1.00 1.50 H new ATOM 0 HB3 PHE A 47 9.486 -5.692 3.564 1.00 1.50 H new ATOM 0 HD1 PHE A 47 7.697 -6.141 6.758 1.00 2.53 H new ATOM 0 HD2 PHE A 47 10.645 -7.710 4.120 1.00 2.17 H new ATOM 0 HE1 PHE A 47 7.817 -8.200 8.106 1.00 3.14 H new ATOM 0 HE2 PHE A 47 10.765 -9.754 5.462 1.00 2.69 H new ATOM 0 HZ PHE A 47 9.126 -10.166 7.188 1.00 3.10 H new ATOM 762 N LYS A 48 12.175 -3.979 4.305 1.00 1.83 N ATOM 763 CA LYS A 48 13.167 -3.756 3.262 1.00 2.13 C ATOM 764 C LYS A 48 14.590 -3.989 3.748 1.00 2.50 C ATOM 765 O LYS A 48 15.426 -3.091 3.723 1.00 3.01 O ATOM 766 CB LYS A 48 13.041 -2.395 2.567 1.00 2.46 C ATOM 767 CG LYS A 48 13.659 -2.361 1.182 1.00 3.10 C ATOM 768 CD LYS A 48 12.747 -2.987 0.138 1.00 3.81 C ATOM 769 CE LYS A 48 11.559 -2.090 -0.191 1.00 4.36 C ATOM 770 NZ LYS A 48 10.340 -2.431 0.598 1.00 4.90 N ATOM 0 H LYS A 48 12.568 -4.227 5.213 1.00 1.83 H new ATOM 0 HA LYS A 48 12.944 -4.510 2.507 1.00 2.13 H new ATOM 0 HB2 LYS A 48 11.986 -2.131 2.492 1.00 2.46 H new ATOM 0 HB3 LYS A 48 13.516 -1.635 3.187 1.00 2.46 H new ATOM 0 HG2 LYS A 48 13.873 -1.329 0.905 1.00 3.10 H new ATOM 0 HG3 LYS A 48 14.611 -2.891 1.196 1.00 3.10 H new ATOM 0 HD2 LYS A 48 13.316 -3.183 -0.771 1.00 3.81 H new ATOM 0 HD3 LYS A 48 12.386 -3.949 0.502 1.00 3.81 H new ATOM 0 HE2 LYS A 48 11.830 -1.052 -0.001 1.00 4.36 H new ATOM 0 HE3 LYS A 48 11.332 -2.171 -1.254 1.00 4.36 H new ATOM 0 HZ1 LYS A 48 9.721 -1.598 0.657 1.00 4.90 H new ATOM 0 HZ2 LYS A 48 9.831 -3.208 0.131 1.00 4.90 H new ATOM 0 HZ3 LYS A 48 10.618 -2.725 1.556 1.00 4.90 H new ATOM 879 N ARG A 56 8.985 -6.837 -4.262 1.00 3.37 N ATOM 880 CA ARG A 56 8.897 -6.677 -2.835 1.00 2.70 C ATOM 881 C ARG A 56 7.494 -6.862 -2.304 1.00 2.24 C ATOM 882 O ARG A 56 7.185 -7.864 -1.676 1.00 2.47 O ATOM 883 CB ARG A 56 9.425 -5.321 -2.468 1.00 3.43 C ATOM 884 CG ARG A 56 10.744 -5.337 -1.724 1.00 4.15 C ATOM 885 CD ARG A 56 11.883 -5.698 -2.656 1.00 4.75 C ATOM 886 NE ARG A 56 13.184 -5.581 -2.008 1.00 5.53 N ATOM 887 CZ ARG A 56 14.226 -4.946 -2.542 1.00 6.18 C ATOM 888 NH1 ARG A 56 14.120 -4.345 -3.719 1.00 6.21 N ATOM 889 NH2 ARG A 56 15.378 -4.911 -1.895 1.00 7.08 N ATOM 0 HA ARG A 56 9.499 -7.459 -2.372 1.00 2.70 H new ATOM 0 HB2 ARG A 56 9.544 -4.733 -3.378 1.00 3.43 H new ATOM 0 HB3 ARG A 56 8.683 -4.811 -1.854 1.00 3.43 H new ATOM 0 HG2 ARG A 56 10.928 -4.359 -1.280 1.00 4.15 H new ATOM 0 HG3 ARG A 56 10.696 -6.055 -0.905 1.00 4.15 H new ATOM 0 HD2 ARG A 56 11.748 -6.719 -3.014 1.00 4.75 H new ATOM 0 HD3 ARG A 56 11.855 -5.048 -3.530 1.00 4.75 H new ATOM 0 HE ARG A 56 13.303 -6.011 -1.091 1.00 5.53 H new ATOM 0 HH11 ARG A 56 13.234 -4.366 -4.224 1.00 6.21 H new ATOM 0 HH12 ARG A 56 14.924 -3.861 -4.119 1.00 6.21 H new ATOM 0 HH21 ARG A 56 15.468 -5.370 -0.988 1.00 7.08 H new ATOM 0 HH22 ARG A 56 16.177 -4.425 -2.302 1.00 7.08 H new ATOM 903 N TRP A 57 6.664 -5.883 -2.533 1.00 1.83 N ATOM 904 CA TRP A 57 5.317 -5.894 -2.001 1.00 1.49 C ATOM 905 C TRP A 57 4.309 -5.306 -2.976 1.00 1.19 C ATOM 906 O TRP A 57 4.523 -4.242 -3.559 1.00 1.43 O ATOM 907 CB TRP A 57 5.259 -5.130 -0.680 1.00 1.69 C ATOM 908 CG TRP A 57 6.133 -5.726 0.383 1.00 1.83 C ATOM 909 CD1 TRP A 57 7.473 -5.523 0.558 1.00 1.56 C ATOM 910 CD2 TRP A 57 5.731 -6.634 1.407 1.00 2.78 C ATOM 911 NE1 TRP A 57 7.931 -6.277 1.608 1.00 1.85 N ATOM 912 CE2 TRP A 57 6.876 -6.955 2.155 1.00 2.70 C ATOM 913 CE3 TRP A 57 4.514 -7.210 1.761 1.00 3.91 C ATOM 914 CZ2 TRP A 57 6.835 -7.828 3.236 1.00 3.65 C ATOM 915 CZ3 TRP A 57 4.475 -8.072 2.836 1.00 4.90 C ATOM 916 CH2 TRP A 57 5.629 -8.373 3.562 1.00 4.75 C ATOM 0 H TRP A 57 6.893 -5.058 -3.088 1.00 1.83 H new ATOM 0 HA TRP A 57 5.050 -6.937 -1.834 1.00 1.49 H new ATOM 0 HB2 TRP A 57 5.559 -4.096 -0.851 1.00 1.69 H new ATOM 0 HB3 TRP A 57 4.229 -5.108 -0.325 1.00 1.69 H new ATOM 0 HD1 TRP A 57 8.083 -4.865 -0.043 1.00 1.56 H new ATOM 0 HE1 TRP A 57 8.898 -6.324 1.928 1.00 1.85 H new ATOM 0 HE3 TRP A 57 3.617 -6.986 1.203 1.00 3.91 H new ATOM 0 HZ2 TRP A 57 7.727 -8.066 3.797 1.00 3.65 H new ATOM 0 HZ3 TRP A 57 3.536 -8.522 3.122 1.00 4.90 H new ATOM 0 HH2 TRP A 57 5.565 -9.052 4.399 1.00 4.75 H new ATOM 927 N ASN A 58 3.222 -6.035 -3.147 1.00 0.91 N ATOM 928 CA ASN A 58 2.065 -5.575 -3.896 1.00 0.71 C ATOM 929 C ASN A 58 0.824 -5.857 -3.069 1.00 0.59 C ATOM 930 O ASN A 58 0.600 -6.999 -2.657 1.00 0.71 O ATOM 931 CB ASN A 58 1.978 -6.296 -5.240 1.00 0.74 C ATOM 932 CG ASN A 58 0.650 -6.096 -5.943 1.00 1.23 C ATOM 933 OD1 ASN A 58 0.046 -5.029 -5.875 1.00 2.05 O ATOM 934 ND2 ASN A 58 0.178 -7.137 -6.613 1.00 1.91 N ATOM 0 H ASN A 58 3.115 -6.975 -2.765 1.00 0.91 H new ATOM 0 HA ASN A 58 2.151 -4.507 -4.094 1.00 0.71 H new ATOM 0 HB2 ASN A 58 2.781 -5.942 -5.887 1.00 0.74 H new ATOM 0 HB3 ASN A 58 2.141 -7.362 -5.084 1.00 0.74 H new ATOM 0 HD21 ASN A 58 -0.718 -7.069 -7.096 1.00 1.91 H new ATOM 0 HD22 ASN A 58 0.710 -8.006 -6.646 1.00 1.91 H new ATOM 941 N CYS A 59 0.042 -4.829 -2.797 1.00 0.55 N ATOM 942 CA CYS A 59 -1.110 -4.977 -1.921 1.00 0.50 C ATOM 943 C CYS A 59 -2.372 -5.170 -2.750 1.00 0.44 C ATOM 944 O CYS A 59 -2.586 -4.473 -3.739 1.00 0.56 O ATOM 945 CB CYS A 59 -1.288 -3.766 -0.990 1.00 0.60 C ATOM 946 SG CYS A 59 0.176 -3.263 0.002 1.00 0.76 S ATOM 0 H CYS A 59 0.180 -3.888 -3.166 1.00 0.55 H new ATOM 0 HA CYS A 59 -0.934 -5.854 -1.298 1.00 0.50 H new ATOM 0 HB2 CYS A 59 -1.597 -2.914 -1.596 1.00 0.60 H new ATOM 0 HB3 CYS A 59 -2.106 -3.983 -0.303 1.00 0.60 H new ATOM 951 N LEU A 60 -3.212 -6.108 -2.342 1.00 0.36 N ATOM 952 CA LEU A 60 -4.416 -6.415 -3.071 1.00 0.34 C ATOM 953 C LEU A 60 -5.583 -6.125 -2.170 1.00 0.29 C ATOM 954 O LEU A 60 -5.678 -6.688 -1.086 1.00 0.32 O ATOM 955 CB LEU A 60 -4.438 -7.889 -3.484 1.00 0.44 C ATOM 956 CG LEU A 60 -3.224 -8.374 -4.276 1.00 1.27 C ATOM 957 CD1 LEU A 60 -3.287 -9.878 -4.474 1.00 1.90 C ATOM 958 CD2 LEU A 60 -3.148 -7.668 -5.616 1.00 1.85 C ATOM 0 H LEU A 60 -3.074 -6.670 -1.502 1.00 0.36 H new ATOM 0 HA LEU A 60 -4.465 -5.811 -3.977 1.00 0.34 H new ATOM 0 HB2 LEU A 60 -4.529 -8.498 -2.585 1.00 0.44 H new ATOM 0 HB3 LEU A 60 -5.333 -8.067 -4.081 1.00 0.44 H new ATOM 0 HG LEU A 60 -2.324 -8.136 -3.708 1.00 1.27 H new ATOM 0 HD11 LEU A 60 -2.415 -10.207 -5.040 1.00 1.90 H new ATOM 0 HD12 LEU A 60 -3.297 -10.373 -3.503 1.00 1.90 H new ATOM 0 HD13 LEU A 60 -4.194 -10.135 -5.022 1.00 1.90 H new ATOM 0 HD21 LEU A 60 -2.278 -8.025 -6.167 1.00 1.85 H new ATOM 0 HD22 LEU A 60 -4.051 -7.877 -6.189 1.00 1.85 H new ATOM 0 HD23 LEU A 60 -3.060 -6.593 -5.457 1.00 1.85 H new ATOM 970 N PHE A 61 -6.475 -5.272 -2.600 1.00 0.29 N ATOM 971 CA PHE A 61 -7.565 -4.875 -1.725 1.00 0.28 C ATOM 972 C PHE A 61 -8.800 -5.693 -2.043 1.00 0.37 C ATOM 973 O PHE A 61 -9.212 -5.754 -3.184 1.00 0.48 O ATOM 974 CB PHE A 61 -7.925 -3.399 -1.893 1.00 0.32 C ATOM 975 CG PHE A 61 -6.955 -2.404 -1.332 1.00 0.30 C ATOM 976 CD1 PHE A 61 -5.625 -2.743 -1.251 1.00 0.59 C ATOM 977 CD2 PHE A 61 -7.358 -1.178 -0.834 1.00 0.54 C ATOM 978 CE1 PHE A 61 -4.711 -1.894 -0.692 1.00 0.63 C ATOM 979 CE2 PHE A 61 -6.447 -0.312 -0.284 1.00 0.57 C ATOM 980 CZ PHE A 61 -5.216 -0.466 -0.391 1.00 0.37 C ATOM 0 H PHE A 61 -6.478 -4.843 -3.526 1.00 0.29 H new ATOM 0 HA PHE A 61 -7.231 -5.044 -0.701 1.00 0.28 H new ATOM 0 HB2 PHE A 61 -8.044 -3.196 -2.957 1.00 0.32 H new ATOM 0 HB3 PHE A 61 -8.895 -3.230 -1.426 1.00 0.32 H new ATOM 0 HD1 PHE A 61 -5.297 -3.697 -1.636 1.00 0.59 H new ATOM 0 HD2 PHE A 61 -8.401 -0.900 -0.879 1.00 0.54 H new ATOM 0 HE1 PHE A 61 -3.699 -2.203 -0.474 1.00 0.63 H new ATOM 0 HE2 PHE A 61 -6.814 0.542 0.266 1.00 0.57 H new ATOM 0 HZ PHE A 61 -4.532 0.362 -0.278 1.00 0.37 H new ATOM 990 N ARG A 62 -9.393 -6.299 -1.037 1.00 0.47 N ATOM 991 CA ARG A 62 -10.544 -7.164 -1.243 1.00 0.66 C ATOM 992 C ARG A 62 -11.736 -6.670 -0.424 1.00 0.89 C ATOM 993 O ARG A 62 -11.599 -5.759 0.399 1.00 1.05 O ATOM 994 CB ARG A 62 -10.192 -8.600 -0.845 1.00 0.84 C ATOM 995 CG ARG A 62 -9.775 -8.741 0.610 1.00 1.49 C ATOM 996 CD ARG A 62 -9.641 -10.198 1.017 1.00 1.88 C ATOM 997 NE ARG A 62 -8.604 -10.899 0.263 1.00 2.29 N ATOM 998 CZ ARG A 62 -8.322 -12.191 0.422 1.00 2.86 C ATOM 999 NH1 ARG A 62 -8.984 -12.916 1.315 1.00 3.11 N ATOM 1000 NH2 ARG A 62 -7.371 -12.758 -0.306 1.00 3.63 N ATOM 0 H ARG A 62 -9.099 -6.211 -0.064 1.00 0.47 H new ATOM 0 HA ARG A 62 -10.816 -7.142 -2.298 1.00 0.66 H new ATOM 0 HB2 ARG A 62 -11.053 -9.242 -1.032 1.00 0.84 H new ATOM 0 HB3 ARG A 62 -9.384 -8.958 -1.483 1.00 0.84 H new ATOM 0 HG2 ARG A 62 -8.825 -8.230 0.767 1.00 1.49 H new ATOM 0 HG3 ARG A 62 -10.510 -8.251 1.248 1.00 1.49 H new ATOM 0 HD2 ARG A 62 -9.412 -10.255 2.081 1.00 1.88 H new ATOM 0 HD3 ARG A 62 -10.596 -10.702 0.869 1.00 1.88 H new ATOM 0 HE ARG A 62 -8.066 -10.369 -0.423 1.00 2.29 H new ATOM 0 HH11 ARG A 62 -9.713 -12.484 1.883 1.00 3.11 H new ATOM 0 HH12 ARG A 62 -8.764 -13.905 1.433 1.00 3.11 H new ATOM 0 HH21 ARG A 62 -6.854 -12.205 -0.989 1.00 3.63 H new ATOM 0 HH22 ARG A 62 -7.156 -13.748 -0.183 1.00 3.63 H new ATOM 1014 N GLN A 63 -12.898 -7.280 -0.646 1.00 1.13 N ATOM 1015 CA GLN A 63 -14.131 -6.883 0.032 1.00 1.48 C ATOM 1016 C GLN A 63 -15.024 -8.087 0.278 1.00 2.09 C ATOM 1017 O GLN A 63 -15.255 -8.484 1.420 1.00 2.68 O ATOM 1018 CB GLN A 63 -14.905 -5.843 -0.787 1.00 1.69 C ATOM 1019 CG GLN A 63 -14.309 -4.448 -0.737 1.00 2.15 C ATOM 1020 CD GLN A 63 -14.489 -3.802 0.620 1.00 2.52 C ATOM 1021 OE1 GLN A 63 -15.470 -3.102 0.859 1.00 3.00 O ATOM 1022 NE2 GLN A 63 -13.558 -4.051 1.524 1.00 3.03 N ATOM 0 H GLN A 63 -13.012 -8.058 -1.296 1.00 1.13 H new ATOM 0 HA GLN A 63 -13.846 -6.442 0.987 1.00 1.48 H new ATOM 0 HB2 GLN A 63 -14.947 -6.172 -1.825 1.00 1.69 H new ATOM 0 HB3 GLN A 63 -15.932 -5.801 -0.424 1.00 1.69 H new ATOM 0 HG2 GLN A 63 -13.247 -4.499 -0.976 1.00 2.15 H new ATOM 0 HG3 GLN A 63 -14.778 -3.826 -1.500 1.00 2.15 H new ATOM 0 HE21 GLN A 63 -12.759 -4.638 1.285 1.00 3.03 H new ATOM 0 HE22 GLN A 63 -13.639 -3.657 2.461 1.00 3.03 H new ATOM 1031 N GLY A 64 -15.520 -8.660 -0.802 1.00 2.55 N ATOM 1032 CA GLY A 64 -16.406 -9.795 -0.700 1.00 3.28 C ATOM 1033 C GLY A 64 -17.575 -9.678 -1.643 1.00 3.41 C ATOM 1034 O GLY A 64 -17.383 -9.495 -2.841 1.00 3.88 O ATOM 0 H GLY A 64 -15.323 -8.357 -1.756 1.00 2.55 H new ATOM 0 HA2 GLY A 64 -15.853 -10.709 -0.918 1.00 3.28 H new ATOM 0 HA3 GLY A 64 -16.771 -9.880 0.323 1.00 3.28 H new ATOM 1038 N ILE A 65 -18.778 -9.753 -1.073 1.00 3.49 N ATOM 1039 CA ILE A 65 -20.050 -9.643 -1.796 1.00 3.94 C ATOM 1040 C ILE A 65 -20.052 -10.390 -3.149 1.00 4.01 C ATOM 1041 O ILE A 65 -20.270 -11.604 -3.183 1.00 4.32 O ATOM 1042 CB ILE A 65 -20.540 -8.168 -1.910 1.00 4.22 C ATOM 1043 CG1 ILE A 65 -21.793 -8.039 -2.784 1.00 4.91 C ATOM 1044 CG2 ILE A 65 -19.437 -7.267 -2.396 1.00 3.92 C ATOM 1045 CD1 ILE A 65 -23.005 -8.743 -2.214 1.00 5.57 C ATOM 0 H ILE A 65 -18.900 -9.896 -0.070 1.00 3.49 H new ATOM 0 HA ILE A 65 -20.788 -10.163 -1.185 1.00 3.94 H new ATOM 0 HB ILE A 65 -20.821 -7.846 -0.907 1.00 4.22 H new ATOM 0 HG12 ILE A 65 -22.026 -6.982 -2.917 1.00 4.91 H new ATOM 0 HG13 ILE A 65 -21.579 -8.445 -3.773 1.00 4.91 H new ATOM 0 HG21 ILE A 65 -19.807 -6.244 -2.466 1.00 3.92 H new ATOM 0 HG22 ILE A 65 -18.602 -7.304 -1.696 1.00 3.92 H new ATOM 0 HG23 ILE A 65 -19.102 -7.600 -3.378 1.00 3.92 H new ATOM 0 HD11 ILE A 65 -23.853 -8.609 -2.886 1.00 5.57 H new ATOM 0 HD12 ILE A 65 -22.791 -9.807 -2.107 1.00 5.57 H new ATOM 0 HD13 ILE A 65 -23.245 -8.322 -1.238 1.00 5.57 H new ATOM 1057 N ASN A 66 -19.817 -9.689 -4.248 1.00 4.06 N ATOM 1058 CA ASN A 66 -19.849 -10.299 -5.571 1.00 4.27 C ATOM 1059 C ASN A 66 -18.457 -10.301 -6.189 1.00 4.09 C ATOM 1060 O ASN A 66 -17.459 -10.331 -5.477 1.00 4.26 O ATOM 1061 CB ASN A 66 -20.831 -9.544 -6.474 1.00 4.76 C ATOM 1062 CG ASN A 66 -22.271 -9.644 -6.001 1.00 5.45 C ATOM 1063 OD1 ASN A 66 -22.629 -10.765 -5.393 1.00 5.72 O flip ATOM 1064 ND2 ASN A 66 -23.060 -8.721 -6.191 1.00 6.08 N flip ATOM 0 H ASN A 66 -19.601 -8.692 -4.250 1.00 4.06 H new ATOM 0 HA ASN A 66 -20.184 -11.331 -5.472 1.00 4.27 H new ATOM 0 HB2 ASN A 66 -20.541 -8.494 -6.518 1.00 4.76 H new ATOM 0 HB3 ASN A 66 -20.759 -9.938 -7.488 1.00 4.76 H new ATOM 0 HD21 ASN A 66 -22.748 -7.872 -6.663 1.00 6.08 H new ATOM 0 HD22 ASN A 66 -24.027 -8.804 -5.877 1.00 6.08 H new ATOM 1071 N MET A 67 -18.397 -10.285 -7.515 1.00 4.09 N ATOM 1072 CA MET A 67 -17.142 -10.061 -8.224 1.00 4.13 C ATOM 1073 C MET A 67 -16.752 -8.589 -8.085 1.00 3.60 C ATOM 1074 O MET A 67 -15.607 -8.197 -8.314 1.00 3.77 O ATOM 1075 CB MET A 67 -17.305 -10.459 -9.702 1.00 4.54 C ATOM 1076 CG MET A 67 -16.054 -10.287 -10.562 1.00 5.19 C ATOM 1077 SD MET A 67 -15.854 -8.613 -11.217 1.00 6.00 S ATOM 1078 CE MET A 67 -17.314 -8.459 -12.244 1.00 6.30 C ATOM 0 H MET A 67 -19.204 -10.425 -8.123 1.00 4.09 H new ATOM 0 HA MET A 67 -16.349 -10.675 -7.797 1.00 4.13 H new ATOM 0 HB2 MET A 67 -17.618 -11.502 -9.749 1.00 4.54 H new ATOM 0 HB3 MET A 67 -18.109 -9.865 -10.135 1.00 4.54 H new ATOM 0 HG2 MET A 67 -15.177 -10.544 -9.968 1.00 5.19 H new ATOM 0 HG3 MET A 67 -16.094 -10.991 -11.393 1.00 5.19 H new ATOM 0 HE1 MET A 67 -17.029 -8.087 -13.228 1.00 6.30 H new ATOM 0 HE2 MET A 67 -17.790 -9.434 -12.349 1.00 6.30 H new ATOM 0 HE3 MET A 67 -18.013 -7.762 -11.781 1.00 6.30 H new ATOM 1088 N LYS A 68 -17.727 -7.791 -7.662 1.00 3.30 N ATOM 1089 CA LYS A 68 -17.562 -6.354 -7.513 1.00 3.12 C ATOM 1090 C LYS A 68 -16.702 -6.009 -6.302 1.00 2.78 C ATOM 1091 O LYS A 68 -17.220 -5.721 -5.223 1.00 3.25 O ATOM 1092 CB LYS A 68 -18.934 -5.696 -7.381 1.00 3.71 C ATOM 1093 CG LYS A 68 -19.829 -5.928 -8.586 1.00 4.30 C ATOM 1094 CD LYS A 68 -21.149 -5.186 -8.460 1.00 4.85 C ATOM 1095 CE LYS A 68 -21.992 -5.354 -9.711 1.00 5.37 C ATOM 1096 NZ LYS A 68 -23.268 -4.598 -9.635 1.00 5.81 N ATOM 0 H LYS A 68 -18.657 -8.127 -7.412 1.00 3.30 H new ATOM 0 HA LYS A 68 -17.052 -5.977 -8.399 1.00 3.12 H new ATOM 0 HB2 LYS A 68 -19.430 -6.080 -6.489 1.00 3.71 H new ATOM 0 HB3 LYS A 68 -18.803 -4.624 -7.235 1.00 3.71 H new ATOM 0 HG2 LYS A 68 -19.314 -5.602 -9.490 1.00 4.30 H new ATOM 0 HG3 LYS A 68 -20.021 -6.995 -8.696 1.00 4.30 H new ATOM 0 HD2 LYS A 68 -21.698 -5.558 -7.595 1.00 4.85 H new ATOM 0 HD3 LYS A 68 -20.959 -4.127 -8.285 1.00 4.85 H new ATOM 0 HE2 LYS A 68 -21.423 -5.017 -10.578 1.00 5.37 H new ATOM 0 HE3 LYS A 68 -22.207 -6.412 -9.862 1.00 5.37 H new ATOM 0 HZ1 LYS A 68 -23.810 -4.743 -10.511 1.00 5.81 H new ATOM 0 HZ2 LYS A 68 -23.824 -4.936 -8.824 1.00 5.81 H new ATOM 0 HZ3 LYS A 68 -23.065 -3.585 -9.517 1.00 5.81 H new ATOM 1110 N PHE A 69 -15.391 -6.056 -6.494 1.00 2.52 N ATOM 1111 CA PHE A 69 -14.430 -5.681 -5.466 1.00 2.44 C ATOM 1112 C PHE A 69 -13.016 -5.768 -6.038 1.00 2.04 C ATOM 1113 O PHE A 69 -12.853 -5.928 -7.248 1.00 2.83 O ATOM 1114 CB PHE A 69 -14.560 -6.580 -4.225 1.00 3.01 C ATOM 1115 CG PHE A 69 -14.123 -8.010 -4.417 1.00 3.88 C ATOM 1116 CD1 PHE A 69 -13.077 -8.523 -3.671 1.00 4.80 C ATOM 1117 CD2 PHE A 69 -14.754 -8.838 -5.329 1.00 4.14 C ATOM 1118 CE1 PHE A 69 -12.671 -9.832 -3.827 1.00 5.84 C ATOM 1119 CE2 PHE A 69 -14.348 -10.149 -5.492 1.00 5.20 C ATOM 1120 CZ PHE A 69 -13.306 -10.646 -4.740 1.00 6.01 C ATOM 0 H PHE A 69 -14.963 -6.356 -7.370 1.00 2.52 H new ATOM 0 HA PHE A 69 -14.636 -4.657 -5.155 1.00 2.44 H new ATOM 0 HB2 PHE A 69 -13.973 -6.143 -3.417 1.00 3.01 H new ATOM 0 HB3 PHE A 69 -15.601 -6.576 -3.901 1.00 3.01 H new ATOM 0 HD1 PHE A 69 -12.571 -7.890 -2.957 1.00 4.80 H new ATOM 0 HD2 PHE A 69 -15.573 -8.455 -5.920 1.00 4.14 H new ATOM 0 HE1 PHE A 69 -11.856 -10.219 -3.234 1.00 5.84 H new ATOM 0 HE2 PHE A 69 -14.848 -10.784 -6.209 1.00 5.20 H new ATOM 0 HZ PHE A 69 -12.988 -11.670 -4.866 1.00 6.01 H new ATOM 1130 N PHE A 70 -12.020 -5.645 -5.160 1.00 1.22 N ATOM 1131 CA PHE A 70 -10.603 -5.810 -5.508 1.00 0.92 C ATOM 1132 C PHE A 70 -9.963 -4.556 -6.092 1.00 0.79 C ATOM 1133 O PHE A 70 -10.613 -3.701 -6.696 1.00 1.19 O ATOM 1134 CB PHE A 70 -10.361 -6.983 -6.455 1.00 1.37 C ATOM 1135 CG PHE A 70 -9.788 -8.194 -5.787 1.00 1.92 C ATOM 1136 CD1 PHE A 70 -8.764 -8.064 -4.871 1.00 2.15 C ATOM 1137 CD2 PHE A 70 -10.261 -9.461 -6.075 1.00 2.74 C ATOM 1138 CE1 PHE A 70 -8.227 -9.156 -4.254 1.00 2.96 C ATOM 1139 CE2 PHE A 70 -9.727 -10.567 -5.460 1.00 3.59 C ATOM 1140 CZ PHE A 70 -8.704 -10.419 -4.543 1.00 3.63 C ATOM 0 H PHE A 70 -12.173 -5.426 -4.176 1.00 1.22 H new ATOM 0 HA PHE A 70 -10.121 -6.018 -4.553 1.00 0.92 H new ATOM 0 HB2 PHE A 70 -11.304 -7.254 -6.930 1.00 1.37 H new ATOM 0 HB3 PHE A 70 -9.685 -6.663 -7.248 1.00 1.37 H new ATOM 0 HD1 PHE A 70 -8.381 -7.081 -4.639 1.00 2.15 H new ATOM 0 HD2 PHE A 70 -11.060 -9.582 -6.792 1.00 2.74 H new ATOM 0 HE1 PHE A 70 -7.428 -9.032 -3.538 1.00 2.96 H new ATOM 0 HE2 PHE A 70 -10.106 -11.551 -5.693 1.00 3.59 H new ATOM 0 HZ PHE A 70 -8.281 -11.285 -4.056 1.00 3.63 H new ATOM 1150 N THR A 71 -8.665 -4.485 -5.864 1.00 0.58 N ATOM 1151 CA THR A 71 -7.777 -3.512 -6.477 1.00 0.49 C ATOM 1152 C THR A 71 -6.353 -3.933 -6.186 1.00 0.40 C ATOM 1153 O THR A 71 -6.084 -4.564 -5.163 1.00 0.49 O ATOM 1154 CB THR A 71 -8.019 -2.053 -6.021 1.00 0.56 C ATOM 1155 OG1 THR A 71 -7.837 -1.180 -7.140 1.00 0.81 O ATOM 1156 CG2 THR A 71 -7.067 -1.602 -4.914 1.00 0.48 C ATOM 0 H THR A 71 -8.184 -5.121 -5.228 1.00 0.58 H new ATOM 0 HA THR A 71 -7.981 -3.506 -7.548 1.00 0.49 H new ATOM 0 HB THR A 71 -9.034 -2.011 -5.627 1.00 0.56 H new ATOM 0 HG1 THR A 71 -8.709 -0.959 -7.528 1.00 0.81 H new ATOM 0 HG21 THR A 71 -7.290 -0.571 -4.640 1.00 0.48 H new ATOM 0 HG22 THR A 71 -7.193 -2.244 -4.042 1.00 0.48 H new ATOM 0 HG23 THR A 71 -6.039 -1.669 -5.269 1.00 0.48 H new ATOM 1164 N GLU A 72 -5.452 -3.623 -7.086 1.00 0.49 N ATOM 1165 CA GLU A 72 -4.083 -4.052 -6.941 1.00 0.45 C ATOM 1166 C GLU A 72 -3.163 -2.840 -6.882 1.00 0.47 C ATOM 1167 O GLU A 72 -3.037 -2.095 -7.856 1.00 0.57 O ATOM 1168 CB GLU A 72 -3.721 -4.963 -8.112 1.00 0.63 C ATOM 1169 CG GLU A 72 -2.282 -5.437 -8.122 1.00 1.19 C ATOM 1170 CD GLU A 72 -2.016 -6.442 -9.221 1.00 1.50 C ATOM 1171 OE1 GLU A 72 -1.407 -6.067 -10.244 1.00 1.83 O ATOM 1172 OE2 GLU A 72 -2.415 -7.614 -9.071 1.00 1.80 O ATOM 0 H GLU A 72 -5.642 -3.076 -7.926 1.00 0.49 H new ATOM 0 HA GLU A 72 -3.962 -4.609 -6.012 1.00 0.45 H new ATOM 0 HB2 GLU A 72 -4.376 -5.834 -8.094 1.00 0.63 H new ATOM 0 HB3 GLU A 72 -3.921 -4.433 -9.043 1.00 0.63 H new ATOM 0 HG2 GLU A 72 -1.620 -4.580 -8.249 1.00 1.19 H new ATOM 0 HG3 GLU A 72 -2.043 -5.885 -7.157 1.00 1.19 H new ATOM 1179 N VAL A 73 -2.535 -2.632 -5.738 1.00 0.44 N ATOM 1180 CA VAL A 73 -1.704 -1.461 -5.540 1.00 0.52 C ATOM 1181 C VAL A 73 -0.252 -1.862 -5.344 1.00 0.64 C ATOM 1182 O VAL A 73 0.085 -2.512 -4.351 1.00 0.76 O ATOM 1183 CB VAL A 73 -2.136 -0.631 -4.319 1.00 0.52 C ATOM 1184 CG1 VAL A 73 -1.828 0.840 -4.541 1.00 0.66 C ATOM 1185 CG2 VAL A 73 -3.605 -0.842 -3.991 1.00 0.53 C ATOM 0 H VAL A 73 -2.585 -3.258 -4.934 1.00 0.44 H new ATOM 0 HA VAL A 73 -1.820 -0.853 -6.437 1.00 0.52 H new ATOM 0 HB VAL A 73 -1.562 -0.975 -3.459 1.00 0.52 H new ATOM 0 HG11 VAL A 73 -2.140 1.413 -3.668 1.00 0.66 H new ATOM 0 HG12 VAL A 73 -0.757 0.968 -4.695 1.00 0.66 H new ATOM 0 HG13 VAL A 73 -2.366 1.196 -5.420 1.00 0.66 H new ATOM 0 HG21 VAL A 73 -3.874 -0.240 -3.123 1.00 0.53 H new ATOM 0 HG22 VAL A 73 -4.215 -0.543 -4.843 1.00 0.53 H new ATOM 0 HG23 VAL A 73 -3.781 -1.895 -3.771 1.00 0.53 H new ATOM 1195 N GLU A 74 0.598 -1.485 -6.289 1.00 0.80 N ATOM 1196 CA GLU A 74 2.023 -1.723 -6.170 1.00 0.96 C ATOM 1197 C GLU A 74 2.577 -0.951 -4.982 1.00 0.98 C ATOM 1198 O GLU A 74 2.894 0.235 -5.094 1.00 1.16 O ATOM 1199 CB GLU A 74 2.758 -1.296 -7.446 1.00 1.24 C ATOM 1200 CG GLU A 74 2.446 -2.138 -8.675 1.00 1.49 C ATOM 1201 CD GLU A 74 1.094 -1.830 -9.282 1.00 1.71 C ATOM 1202 OE1 GLU A 74 0.160 -2.631 -9.097 1.00 2.25 O ATOM 1203 OE2 GLU A 74 0.964 -0.785 -9.954 1.00 2.02 O ATOM 0 H GLU A 74 0.320 -1.011 -7.149 1.00 0.80 H new ATOM 0 HA GLU A 74 2.180 -2.791 -6.020 1.00 0.96 H new ATOM 0 HB2 GLU A 74 2.508 -0.257 -7.662 1.00 1.24 H new ATOM 0 HB3 GLU A 74 3.831 -1.334 -7.260 1.00 1.24 H new ATOM 0 HG2 GLU A 74 3.220 -1.974 -9.425 1.00 1.49 H new ATOM 0 HG3 GLU A 74 2.483 -3.193 -8.404 1.00 1.49 H new ATOM 1210 N ALA A 75 2.679 -1.629 -3.847 1.00 1.06 N ATOM 1211 CA ALA A 75 3.155 -1.016 -2.616 1.00 1.12 C ATOM 1212 C ALA A 75 4.550 -0.457 -2.790 1.00 1.43 C ATOM 1213 O ALA A 75 4.902 0.575 -2.221 1.00 1.80 O ATOM 1214 CB ALA A 75 3.166 -2.034 -1.494 1.00 1.02 C ATOM 0 H ALA A 75 2.435 -2.615 -3.754 1.00 1.06 H new ATOM 0 HA ALA A 75 2.476 -0.200 -2.368 1.00 1.12 H new ATOM 0 HB1 ALA A 75 3.524 -1.563 -0.579 1.00 1.02 H new ATOM 0 HB2 ALA A 75 2.156 -2.412 -1.336 1.00 1.02 H new ATOM 0 HB3 ALA A 75 3.826 -2.860 -1.759 1.00 1.02 H new ATOM 1220 N TYR A 76 5.344 -1.148 -3.582 1.00 1.71 N ATOM 1221 CA TYR A 76 6.729 -0.790 -3.733 1.00 2.10 C ATOM 1222 C TYR A 76 7.164 -0.714 -5.192 1.00 2.93 C ATOM 1223 O TYR A 76 7.055 -1.678 -5.948 1.00 3.37 O ATOM 1224 CB TYR A 76 7.603 -1.788 -2.980 1.00 2.06 C ATOM 1225 CG TYR A 76 9.070 -1.663 -3.336 1.00 2.42 C ATOM 1226 CD1 TYR A 76 9.668 -2.550 -4.215 1.00 3.02 C ATOM 1227 CD2 TYR A 76 9.862 -0.669 -2.770 1.00 2.63 C ATOM 1228 CE1 TYR A 76 11.008 -2.448 -4.522 1.00 3.55 C ATOM 1229 CE2 TYR A 76 11.199 -0.561 -3.074 1.00 3.23 C ATOM 1230 CZ TYR A 76 11.749 -1.416 -4.028 1.00 3.62 C ATOM 1231 OH TYR A 76 13.106 -1.349 -4.264 1.00 4.28 O ATOM 0 H TYR A 76 5.050 -1.958 -4.128 1.00 1.71 H new ATOM 0 HA TYR A 76 6.851 0.209 -3.313 1.00 2.10 H new ATOM 0 HB2 TYR A 76 7.479 -1.637 -1.908 1.00 2.06 H new ATOM 0 HB3 TYR A 76 7.264 -2.800 -3.200 1.00 2.06 H new ATOM 0 HD1 TYR A 76 9.076 -3.333 -4.666 1.00 3.02 H new ATOM 0 HD2 TYR A 76 9.418 0.032 -2.078 1.00 2.63 H new ATOM 0 HE1 TYR A 76 11.472 -3.188 -5.156 1.00 3.55 H new ATOM 0 HE2 TYR A 76 11.815 0.176 -2.580 1.00 3.23 H new ATOM 0 HH TYR A 76 13.473 -0.546 -3.838 1.00 4.28 H new ATOM 1383 N CYS A 85 14.924 4.340 1.264 1.00 2.66 N ATOM 1384 CA CYS A 85 15.661 3.311 0.545 1.00 3.24 C ATOM 1385 C CYS A 85 14.904 2.877 -0.676 1.00 3.77 C ATOM 1386 O CYS A 85 15.353 3.019 -1.813 1.00 4.31 O ATOM 1387 CB CYS A 85 15.995 2.098 1.427 1.00 3.79 C ATOM 1388 SG CYS A 85 16.468 0.586 0.510 1.00 4.64 S ATOM 0 HA CYS A 85 16.609 3.755 0.241 1.00 3.24 H new ATOM 0 HB2 CYS A 85 16.810 2.368 2.098 1.00 3.79 H new ATOM 0 HB3 CYS A 85 15.130 1.872 2.051 1.00 3.79 H new ATOM 0 HG CYS A 85 16.729 -0.369 1.353 1.00 4.64 H new ATOM 1393 N GLY A 86 13.760 2.348 -0.405 1.00 4.00 N ATOM 1394 CA GLY A 86 12.931 1.781 -1.449 1.00 4.75 C ATOM 1395 C GLY A 86 11.758 2.645 -1.889 1.00 4.42 C ATOM 1396 O GLY A 86 11.583 2.892 -3.078 1.00 5.13 O ATOM 0 H GLY A 86 13.363 2.289 0.533 1.00 4.00 H new ATOM 0 HA2 GLY A 86 13.557 1.578 -2.318 1.00 4.75 H new ATOM 0 HA3 GLY A 86 12.545 0.822 -1.103 1.00 4.75 H new ATOM 1400 N LYS A 87 10.942 3.089 -0.939 1.00 3.51 N ATOM 1401 CA LYS A 87 9.674 3.744 -1.260 1.00 3.25 C ATOM 1402 C LYS A 87 9.172 4.517 -0.038 1.00 2.57 C ATOM 1403 O LYS A 87 9.815 4.496 1.011 1.00 2.57 O ATOM 1404 CB LYS A 87 8.653 2.666 -1.677 1.00 3.54 C ATOM 1405 CG LYS A 87 7.396 3.187 -2.363 1.00 4.49 C ATOM 1406 CD LYS A 87 7.675 3.672 -3.777 1.00 5.19 C ATOM 1407 CE LYS A 87 6.426 4.264 -4.408 1.00 6.18 C ATOM 1408 NZ LYS A 87 6.582 4.493 -5.868 1.00 6.95 N ATOM 0 H LYS A 87 11.134 3.008 0.060 1.00 3.51 H new ATOM 0 HA LYS A 87 9.809 4.449 -2.081 1.00 3.25 H new ATOM 0 HB2 LYS A 87 9.147 1.962 -2.347 1.00 3.54 H new ATOM 0 HB3 LYS A 87 8.357 2.107 -0.789 1.00 3.54 H new ATOM 0 HG2 LYS A 87 6.646 2.397 -2.393 1.00 4.49 H new ATOM 0 HG3 LYS A 87 6.976 4.004 -1.776 1.00 4.49 H new ATOM 0 HD2 LYS A 87 8.467 4.421 -3.758 1.00 5.19 H new ATOM 0 HD3 LYS A 87 8.035 2.842 -4.385 1.00 5.19 H new ATOM 0 HE2 LYS A 87 5.583 3.594 -4.236 1.00 6.18 H new ATOM 0 HE3 LYS A 87 6.188 5.208 -3.918 1.00 6.18 H new ATOM 0 HZ1 LYS A 87 5.680 4.300 -6.348 1.00 6.95 H new ATOM 0 HZ2 LYS A 87 6.859 5.481 -6.037 1.00 6.95 H new ATOM 0 HZ3 LYS A 87 7.316 3.859 -6.242 1.00 6.95 H new ATOM 1422 N ARG A 88 8.040 5.198 -0.175 1.00 2.48 N ATOM 1423 CA ARG A 88 7.376 5.836 0.956 1.00 2.17 C ATOM 1424 C ARG A 88 5.914 5.402 1.035 1.00 1.70 C ATOM 1425 O ARG A 88 5.296 5.066 0.025 1.00 2.18 O ATOM 1426 CB ARG A 88 7.513 7.357 0.907 1.00 3.14 C ATOM 1427 CG ARG A 88 8.732 7.851 1.664 1.00 3.80 C ATOM 1428 CD ARG A 88 8.812 9.365 1.697 1.00 4.78 C ATOM 1429 NE ARG A 88 9.698 9.831 2.762 1.00 5.43 N ATOM 1430 CZ ARG A 88 10.359 10.986 2.740 1.00 6.34 C ATOM 1431 NH1 ARG A 88 10.334 11.757 1.662 1.00 6.69 N ATOM 1432 NH2 ARG A 88 11.075 11.353 3.794 1.00 7.15 N ATOM 0 H ARG A 88 7.559 5.323 -1.066 1.00 2.48 H new ATOM 0 HA ARG A 88 7.874 5.506 1.868 1.00 2.17 H new ATOM 0 HB2 ARG A 88 7.578 7.680 -0.132 1.00 3.14 H new ATOM 0 HB3 ARG A 88 6.617 7.814 1.328 1.00 3.14 H new ATOM 0 HG2 ARG A 88 8.704 7.468 2.684 1.00 3.80 H new ATOM 0 HG3 ARG A 88 9.633 7.451 1.199 1.00 3.80 H new ATOM 0 HD2 ARG A 88 9.172 9.733 0.736 1.00 4.78 H new ATOM 0 HD3 ARG A 88 7.815 9.780 1.844 1.00 4.78 H new ATOM 0 HE ARG A 88 9.818 9.230 3.578 1.00 5.43 H new ATOM 0 HH11 ARG A 88 9.805 11.467 0.840 1.00 6.69 H new ATOM 0 HH12 ARG A 88 10.844 12.640 1.655 1.00 6.69 H new ATOM 0 HH21 ARG A 88 11.117 10.751 4.616 1.00 7.15 H new ATOM 0 HH22 ARG A 88 11.583 12.237 3.782 1.00 7.15 H new ATOM 1446 N TYR A 89 5.379 5.433 2.244 1.00 1.34 N ATOM 1447 CA TYR A 89 4.228 4.645 2.614 1.00 1.31 C ATOM 1448 C TYR A 89 2.897 5.386 2.593 1.00 1.05 C ATOM 1449 O TYR A 89 2.560 6.049 3.558 1.00 1.43 O ATOM 1450 CB TYR A 89 4.476 4.144 4.041 1.00 2.13 C ATOM 1451 CG TYR A 89 5.149 5.149 4.971 1.00 2.67 C ATOM 1452 CD1 TYR A 89 4.410 5.901 5.876 1.00 3.40 C ATOM 1453 CD2 TYR A 89 6.529 5.329 4.953 1.00 2.94 C ATOM 1454 CE1 TYR A 89 5.019 6.796 6.731 1.00 4.21 C ATOM 1455 CE2 TYR A 89 7.143 6.227 5.803 1.00 3.68 C ATOM 1456 CZ TYR A 89 6.384 6.957 6.690 1.00 4.27 C ATOM 1457 OH TYR A 89 6.991 7.847 7.549 1.00 5.18 O ATOM 0 H TYR A 89 5.740 6.014 3.001 1.00 1.34 H new ATOM 0 HA TYR A 89 4.132 3.853 1.872 1.00 1.31 H new ATOM 0 HB2 TYR A 89 3.521 3.851 4.478 1.00 2.13 H new ATOM 0 HB3 TYR A 89 5.093 3.247 3.993 1.00 2.13 H new ATOM 0 HD1 TYR A 89 3.337 5.782 5.911 1.00 3.40 H new ATOM 0 HD2 TYR A 89 7.130 4.756 4.262 1.00 2.94 H new ATOM 0 HE1 TYR A 89 4.426 7.368 7.430 1.00 4.21 H new ATOM 0 HE2 TYR A 89 8.215 6.356 5.772 1.00 3.68 H new ATOM 0 HH TYR A 89 7.959 7.843 7.395 1.00 5.18 H new ATOM 1467 N GLU A 90 2.135 5.283 1.511 1.00 0.79 N ATOM 1468 CA GLU A 90 0.699 5.466 1.606 1.00 0.71 C ATOM 1469 C GLU A 90 -0.026 4.955 0.370 1.00 0.53 C ATOM 1470 O GLU A 90 0.187 5.446 -0.734 1.00 0.63 O ATOM 1471 CB GLU A 90 0.321 6.916 1.877 1.00 1.07 C ATOM 1472 CG GLU A 90 -1.172 7.144 1.781 1.00 1.28 C ATOM 1473 CD GLU A 90 -1.603 8.519 2.246 1.00 1.79 C ATOM 1474 OE1 GLU A 90 -2.031 9.329 1.397 1.00 2.09 O ATOM 1475 OE2 GLU A 90 -1.498 8.809 3.454 1.00 2.07 O ATOM 0 H GLU A 90 2.483 5.077 0.575 1.00 0.79 H new ATOM 0 HA GLU A 90 0.376 4.869 2.459 1.00 0.71 H new ATOM 0 HB2 GLU A 90 0.667 7.201 2.871 1.00 1.07 H new ATOM 0 HB3 GLU A 90 0.832 7.563 1.164 1.00 1.07 H new ATOM 0 HG2 GLU A 90 -1.488 7.003 0.747 1.00 1.28 H new ATOM 0 HG3 GLU A 90 -1.686 6.390 2.377 1.00 1.28 H new ATOM 1482 N LEU A 91 -0.853 3.943 0.560 1.00 0.50 N ATOM 1483 CA LEU A 91 -1.864 3.586 -0.417 1.00 0.43 C ATOM 1484 C LEU A 91 -3.199 3.578 0.288 1.00 0.43 C ATOM 1485 O LEU A 91 -3.411 2.819 1.234 1.00 0.57 O ATOM 1486 CB LEU A 91 -1.637 2.227 -1.088 1.00 0.50 C ATOM 1487 CG LEU A 91 -0.476 1.358 -0.564 1.00 0.93 C ATOM 1488 CD1 LEU A 91 -0.526 -0.016 -1.208 1.00 1.82 C ATOM 1489 CD2 LEU A 91 0.876 1.993 -0.853 1.00 1.02 C ATOM 0 H LEU A 91 -0.843 3.350 1.390 1.00 0.50 H new ATOM 0 HA LEU A 91 -1.819 4.323 -1.219 1.00 0.43 H new ATOM 0 HB2 LEU A 91 -2.557 1.649 -0.997 1.00 0.50 H new ATOM 0 HB3 LEU A 91 -1.474 2.400 -2.152 1.00 0.50 H new ATOM 0 HG LEU A 91 -0.592 1.272 0.516 1.00 0.93 H new ATOM 0 HD11 LEU A 91 0.297 -0.624 -0.833 1.00 1.82 H new ATOM 0 HD12 LEU A 91 -1.473 -0.498 -0.965 1.00 1.82 H new ATOM 0 HD13 LEU A 91 -0.438 0.086 -2.290 1.00 1.82 H new ATOM 0 HD21 LEU A 91 1.669 1.351 -0.469 1.00 1.02 H new ATOM 0 HD22 LEU A 91 0.998 2.116 -1.929 1.00 1.02 H new ATOM 0 HD23 LEU A 91 0.931 2.968 -0.368 1.00 1.02 H new ATOM 1501 N SER A 92 -4.089 4.430 -0.150 1.00 0.43 N ATOM 1502 CA SER A 92 -5.317 4.636 0.572 1.00 0.48 C ATOM 1503 C SER A 92 -6.531 4.417 -0.290 1.00 0.43 C ATOM 1504 O SER A 92 -6.644 4.945 -1.389 1.00 0.51 O ATOM 1505 CB SER A 92 -5.332 6.044 1.170 1.00 0.59 C ATOM 1506 OG SER A 92 -4.988 7.019 0.201 1.00 1.23 O ATOM 0 H SER A 92 -3.988 4.989 -0.997 1.00 0.43 H new ATOM 0 HA SER A 92 -5.360 3.897 1.372 1.00 0.48 H new ATOM 0 HB2 SER A 92 -6.322 6.260 1.571 1.00 0.59 H new ATOM 0 HB3 SER A 92 -4.632 6.095 2.004 1.00 0.59 H new ATOM 0 HG SER A 92 -4.268 6.675 -0.368 1.00 1.23 H new ATOM 1512 N ALA A 93 -7.442 3.639 0.235 1.00 0.52 N ATOM 1513 CA ALA A 93 -8.700 3.418 -0.404 1.00 0.54 C ATOM 1514 C ALA A 93 -9.646 4.477 0.038 1.00 0.62 C ATOM 1515 O ALA A 93 -10.219 4.420 1.115 1.00 0.83 O ATOM 1516 CB ALA A 93 -9.220 2.058 -0.074 1.00 0.66 C ATOM 0 H ALA A 93 -7.326 3.143 1.119 1.00 0.52 H new ATOM 0 HA ALA A 93 -8.584 3.467 -1.487 1.00 0.54 H new ATOM 0 HB1 ALA A 93 -10.179 1.905 -0.569 1.00 0.66 H new ATOM 0 HB2 ALA A 93 -8.511 1.304 -0.417 1.00 0.66 H new ATOM 0 HB3 ALA A 93 -9.350 1.970 1.005 1.00 0.66 H new ATOM 1522 N ARG A 94 -9.774 5.451 -0.794 1.00 0.91 N ATOM 1523 CA ARG A 94 -10.536 6.629 -0.452 1.00 1.26 C ATOM 1524 C ARG A 94 -11.761 6.721 -1.282 1.00 0.70 C ATOM 1525 O ARG A 94 -11.882 6.088 -2.325 1.00 1.17 O ATOM 1526 CB ARG A 94 -9.716 7.915 -0.618 1.00 2.35 C ATOM 1527 CG ARG A 94 -8.379 7.931 0.110 1.00 3.37 C ATOM 1528 CD ARG A 94 -7.764 9.325 0.076 1.00 4.38 C ATOM 1529 NE ARG A 94 -6.395 9.362 0.595 1.00 5.11 N ATOM 1530 CZ ARG A 94 -5.829 10.454 1.116 1.00 6.01 C ATOM 1531 NH1 ARG A 94 -6.525 11.581 1.219 1.00 6.36 N ATOM 1532 NH2 ARG A 94 -4.567 10.428 1.525 1.00 6.80 N ATOM 0 H ARG A 94 -9.362 5.467 -1.727 1.00 0.91 H new ATOM 0 HA ARG A 94 -10.810 6.531 0.598 1.00 1.26 H new ATOM 0 HB2 ARG A 94 -9.535 8.076 -1.681 1.00 2.35 H new ATOM 0 HB3 ARG A 94 -10.313 8.756 -0.265 1.00 2.35 H new ATOM 0 HG2 ARG A 94 -8.518 7.615 1.144 1.00 3.37 H new ATOM 0 HG3 ARG A 94 -7.699 7.216 -0.353 1.00 3.37 H new ATOM 0 HD2 ARG A 94 -7.767 9.692 -0.950 1.00 4.38 H new ATOM 0 HD3 ARG A 94 -8.386 10.004 0.659 1.00 4.38 H new ATOM 0 HE ARG A 94 -5.842 8.505 0.556 1.00 5.11 H new ATOM 0 HH11 ARG A 94 -7.493 11.613 0.900 1.00 6.36 H new ATOM 0 HH12 ARG A 94 -6.091 12.414 1.617 1.00 6.36 H new ATOM 0 HH21 ARG A 94 -4.022 9.570 1.443 1.00 6.80 H new ATOM 0 HH22 ARG A 94 -4.142 11.266 1.922 1.00 6.80 H new ATOM 1546 N MET A 95 -12.662 7.473 -0.711 1.00 0.84 N ATOM 1547 CA MET A 95 -13.944 7.844 -1.268 1.00 1.41 C ATOM 1548 C MET A 95 -14.079 7.562 -2.772 1.00 1.48 C ATOM 1549 O MET A 95 -14.998 6.864 -3.194 1.00 2.12 O ATOM 1550 CB MET A 95 -14.164 9.330 -0.990 1.00 2.09 C ATOM 1551 CG MET A 95 -13.662 9.767 0.386 1.00 2.32 C ATOM 1552 SD MET A 95 -13.906 11.531 0.686 1.00 3.26 S ATOM 1553 CE MET A 95 -13.017 12.244 -0.697 1.00 3.27 C ATOM 0 H MET A 95 -12.515 7.871 0.216 1.00 0.84 H new ATOM 0 HA MET A 95 -14.704 7.226 -0.790 1.00 1.41 H new ATOM 0 HB2 MET A 95 -13.657 9.915 -1.757 1.00 2.09 H new ATOM 0 HB3 MET A 95 -15.228 9.554 -1.069 1.00 2.09 H new ATOM 0 HG2 MET A 95 -14.181 9.196 1.156 1.00 2.32 H new ATOM 0 HG3 MET A 95 -12.602 9.531 0.474 1.00 2.32 H new ATOM 0 HE1 MET A 95 -12.755 13.277 -0.467 1.00 3.27 H new ATOM 0 HE2 MET A 95 -12.108 11.671 -0.880 1.00 3.27 H new ATOM 0 HE3 MET A 95 -13.647 12.219 -1.586 1.00 3.27 H new ATOM 1563 N ASP A 96 -13.161 8.099 -3.573 1.00 1.26 N ATOM 1564 CA ASP A 96 -13.217 7.918 -5.021 1.00 1.45 C ATOM 1565 C ASP A 96 -12.311 6.776 -5.493 1.00 1.30 C ATOM 1566 O ASP A 96 -12.789 5.779 -6.038 1.00 1.97 O ATOM 1567 CB ASP A 96 -12.829 9.213 -5.736 1.00 1.76 C ATOM 1568 CG ASP A 96 -13.057 9.131 -7.232 1.00 2.34 C ATOM 1569 OD1 ASP A 96 -14.208 9.311 -7.676 1.00 2.78 O ATOM 1570 OD2 ASP A 96 -12.079 8.880 -7.971 1.00 2.86 O ATOM 0 H ASP A 96 -12.374 8.660 -3.246 1.00 1.26 H new ATOM 0 HA ASP A 96 -14.245 7.656 -5.272 1.00 1.45 H new ATOM 0 HB2 ASP A 96 -13.409 10.040 -5.327 1.00 1.76 H new ATOM 0 HB3 ASP A 96 -11.779 9.433 -5.542 1.00 1.76 H new ATOM 1575 N ALA A 97 -11.005 6.917 -5.270 1.00 0.84 N ATOM 1576 CA ALA A 97 -10.030 5.961 -5.794 1.00 0.62 C ATOM 1577 C ALA A 97 -9.062 5.504 -4.721 1.00 0.60 C ATOM 1578 O ALA A 97 -9.182 5.844 -3.543 1.00 0.92 O ATOM 1579 CB ALA A 97 -9.225 6.574 -6.941 1.00 0.55 C ATOM 0 H ALA A 97 -10.598 7.682 -4.732 1.00 0.84 H new ATOM 0 HA ALA A 97 -10.598 5.103 -6.154 1.00 0.62 H new ATOM 0 HB1 ALA A 97 -8.507 5.843 -7.313 1.00 0.55 H new ATOM 0 HB2 ALA A 97 -9.901 6.862 -7.747 1.00 0.55 H new ATOM 0 HB3 ALA A 97 -8.693 7.455 -6.582 1.00 0.55 H new ATOM 1585 N ILE A 98 -8.102 4.722 -5.166 1.00 0.39 N ATOM 1586 CA ILE A 98 -6.980 4.317 -4.365 1.00 0.34 C ATOM 1587 C ILE A 98 -5.844 5.308 -4.573 1.00 0.32 C ATOM 1588 O ILE A 98 -5.264 5.410 -5.659 1.00 0.35 O ATOM 1589 CB ILE A 98 -6.546 2.880 -4.720 1.00 0.37 C ATOM 1590 CG1 ILE A 98 -7.636 1.917 -4.250 1.00 0.46 C ATOM 1591 CG2 ILE A 98 -5.193 2.546 -4.063 1.00 0.38 C ATOM 1592 CD1 ILE A 98 -7.492 1.550 -2.816 1.00 0.50 C ATOM 0 H ILE A 98 -8.085 4.346 -6.114 1.00 0.39 H new ATOM 0 HA ILE A 98 -7.261 4.315 -3.312 1.00 0.34 H new ATOM 0 HB ILE A 98 -6.416 2.785 -5.798 1.00 0.37 H new ATOM 0 HG12 ILE A 98 -8.613 2.374 -4.408 1.00 0.46 H new ATOM 0 HG13 ILE A 98 -7.604 1.013 -4.858 1.00 0.46 H new ATOM 0 HG21 ILE A 98 -4.903 1.528 -4.325 1.00 0.38 H new ATOM 0 HG22 ILE A 98 -4.434 3.243 -4.419 1.00 0.38 H new ATOM 0 HG23 ILE A 98 -5.284 2.630 -2.980 1.00 0.38 H new ATOM 0 HD11 ILE A 98 -8.291 0.865 -2.534 1.00 0.50 H new ATOM 0 HD12 ILE A 98 -6.527 1.067 -2.659 1.00 0.50 H new ATOM 0 HD13 ILE A 98 -7.552 2.449 -2.203 1.00 0.50 H new ATOM 1604 N TYR A 99 -5.573 6.061 -3.532 1.00 0.40 N ATOM 1605 CA TYR A 99 -4.614 7.152 -3.589 1.00 0.53 C ATOM 1606 C TYR A 99 -3.269 6.699 -3.070 1.00 0.63 C ATOM 1607 O TYR A 99 -3.161 6.222 -1.940 1.00 0.86 O ATOM 1608 CB TYR A 99 -5.095 8.345 -2.758 1.00 0.79 C ATOM 1609 CG TYR A 99 -6.274 9.093 -3.340 1.00 1.11 C ATOM 1610 CD1 TYR A 99 -7.537 8.520 -3.380 1.00 1.77 C ATOM 1611 CD2 TYR A 99 -6.126 10.385 -3.829 1.00 1.50 C ATOM 1612 CE1 TYR A 99 -8.618 9.209 -3.889 1.00 2.60 C ATOM 1613 CE2 TYR A 99 -7.203 11.080 -4.344 1.00 2.26 C ATOM 1614 CZ TYR A 99 -8.447 10.487 -4.370 1.00 2.77 C ATOM 1615 OH TYR A 99 -9.526 11.175 -4.870 1.00 3.67 O ATOM 0 H TYR A 99 -6.009 5.938 -2.618 1.00 0.40 H new ATOM 0 HA TYR A 99 -4.520 7.457 -4.631 1.00 0.53 H new ATOM 0 HB2 TYR A 99 -5.363 7.991 -1.763 1.00 0.79 H new ATOM 0 HB3 TYR A 99 -4.266 9.042 -2.636 1.00 0.79 H new ATOM 0 HD1 TYR A 99 -7.676 7.516 -3.006 1.00 1.77 H new ATOM 0 HD2 TYR A 99 -5.153 10.854 -3.806 1.00 1.50 H new ATOM 0 HE1 TYR A 99 -9.594 8.748 -3.910 1.00 2.60 H new ATOM 0 HE2 TYR A 99 -7.071 12.082 -4.724 1.00 2.26 H new ATOM 0 HH TYR A 99 -9.238 12.063 -5.168 1.00 3.67 H new ATOM 1625 N PHE A 100 -2.251 6.843 -3.890 1.00 0.72 N ATOM 1626 CA PHE A 100 -0.905 6.514 -3.476 1.00 0.91 C ATOM 1627 C PHE A 100 -0.174 7.798 -3.112 1.00 1.25 C ATOM 1628 O PHE A 100 -0.208 8.770 -3.871 1.00 1.90 O ATOM 1629 CB PHE A 100 -0.166 5.790 -4.601 1.00 1.20 C ATOM 1630 CG PHE A 100 1.045 5.023 -4.144 1.00 1.73 C ATOM 1631 CD1 PHE A 100 2.166 5.679 -3.659 1.00 2.22 C ATOM 1632 CD2 PHE A 100 1.058 3.641 -4.203 1.00 2.19 C ATOM 1633 CE1 PHE A 100 3.272 4.971 -3.237 1.00 2.83 C ATOM 1634 CE2 PHE A 100 2.162 2.927 -3.785 1.00 2.91 C ATOM 1635 CZ PHE A 100 3.270 3.591 -3.300 1.00 3.12 C ATOM 0 H PHE A 100 -2.330 7.186 -4.847 1.00 0.72 H new ATOM 0 HA PHE A 100 -0.942 5.853 -2.610 1.00 0.91 H new ATOM 0 HB2 PHE A 100 -0.855 5.102 -5.091 1.00 1.20 H new ATOM 0 HB3 PHE A 100 0.141 6.521 -5.349 1.00 1.20 H new ATOM 0 HD1 PHE A 100 2.173 6.758 -3.611 1.00 2.22 H new ATOM 0 HD2 PHE A 100 0.194 3.115 -4.581 1.00 2.19 H new ATOM 0 HE1 PHE A 100 4.138 5.494 -2.858 1.00 2.83 H new ATOM 0 HE2 PHE A 100 2.159 1.848 -3.837 1.00 2.91 H new ATOM 0 HZ PHE A 100 4.134 3.033 -2.970 1.00 3.12 H new ATOM 1645 N LYS A 101 0.469 7.815 -1.958 1.00 1.07 N ATOM 1646 CA LYS A 101 1.202 8.991 -1.544 1.00 1.43 C ATOM 1647 C LYS A 101 2.609 8.654 -1.084 1.00 1.37 C ATOM 1648 O LYS A 101 2.840 7.845 -0.178 1.00 1.55 O ATOM 1649 CB LYS A 101 0.449 9.772 -0.466 1.00 2.06 C ATOM 1650 CG LYS A 101 1.235 10.938 0.133 1.00 2.92 C ATOM 1651 CD LYS A 101 1.572 11.997 -0.910 1.00 3.76 C ATOM 1652 CE LYS A 101 2.215 13.229 -0.284 1.00 4.58 C ATOM 1653 NZ LYS A 101 3.532 12.929 0.337 1.00 5.15 N ATOM 0 H LYS A 101 0.497 7.036 -1.300 1.00 1.07 H new ATOM 0 HA LYS A 101 1.290 9.630 -2.423 1.00 1.43 H new ATOM 0 HB2 LYS A 101 -0.478 10.155 -0.893 1.00 2.06 H new ATOM 0 HB3 LYS A 101 0.172 9.087 0.335 1.00 2.06 H new ATOM 0 HG2 LYS A 101 0.654 11.392 0.936 1.00 2.92 H new ATOM 0 HG3 LYS A 101 2.156 10.563 0.579 1.00 2.92 H new ATOM 0 HD2 LYS A 101 2.248 11.573 -1.652 1.00 3.76 H new ATOM 0 HD3 LYS A 101 0.664 12.290 -1.436 1.00 3.76 H new ATOM 0 HE2 LYS A 101 2.343 13.996 -1.048 1.00 4.58 H new ATOM 0 HE3 LYS A 101 1.546 13.640 0.472 1.00 4.58 H new ATOM 0 HZ1 LYS A 101 3.451 12.993 1.372 1.00 5.15 H new ATOM 0 HZ2 LYS A 101 3.830 11.969 0.072 1.00 5.15 H new ATOM 0 HZ3 LYS A 101 4.238 13.615 0.002 1.00 5.15 H new ATOM 1667 N MET A 102 3.524 9.286 -1.777 1.00 1.76 N ATOM 1668 CA MET A 102 4.927 9.355 -1.431 1.00 2.21 C ATOM 1669 C MET A 102 5.314 10.792 -1.697 1.00 2.42 C ATOM 1670 O MET A 102 4.531 11.500 -2.333 1.00 2.62 O ATOM 1671 CB MET A 102 5.761 8.401 -2.291 1.00 2.82 C ATOM 1672 CG MET A 102 5.638 8.664 -3.783 1.00 3.61 C ATOM 1673 SD MET A 102 6.691 7.586 -4.769 1.00 4.57 S ATOM 1674 CE MET A 102 6.208 8.072 -6.423 1.00 5.14 C ATOM 0 H MET A 102 3.304 9.790 -2.636 1.00 1.76 H new ATOM 0 HA MET A 102 5.106 9.059 -0.397 1.00 2.21 H new ATOM 0 HB2 MET A 102 6.808 8.485 -2.001 1.00 2.82 H new ATOM 0 HB3 MET A 102 5.454 7.376 -2.084 1.00 2.82 H new ATOM 0 HG2 MET A 102 4.600 8.528 -4.087 1.00 3.61 H new ATOM 0 HG3 MET A 102 5.897 9.703 -3.987 1.00 3.61 H new ATOM 0 HE1 MET A 102 6.060 7.182 -7.035 1.00 5.14 H new ATOM 0 HE2 MET A 102 5.279 8.640 -6.379 1.00 5.14 H new ATOM 0 HE3 MET A 102 6.990 8.690 -6.864 1.00 5.14 H new ATOM 1684 N ASP A 103 6.447 11.273 -1.212 1.00 2.92 N ATOM 1685 CA ASP A 103 6.776 12.660 -1.486 1.00 3.46 C ATOM 1686 C ASP A 103 6.915 12.885 -2.968 1.00 3.62 C ATOM 1687 O ASP A 103 7.671 12.210 -3.667 1.00 3.77 O ATOM 1688 CB ASP A 103 8.006 13.177 -0.771 1.00 4.39 C ATOM 1689 CG ASP A 103 9.277 12.446 -1.146 1.00 5.03 C ATOM 1690 OD1 ASP A 103 10.161 13.065 -1.776 1.00 5.64 O ATOM 1691 OD2 ASP A 103 9.404 11.253 -0.794 1.00 5.25 O ATOM 0 H ASP A 103 7.124 10.754 -0.654 1.00 2.92 H new ATOM 0 HA ASP A 103 5.939 13.233 -1.087 1.00 3.46 H new ATOM 0 HB2 ASP A 103 8.127 14.237 -0.994 1.00 4.39 H new ATOM 0 HB3 ASP A 103 7.853 13.093 0.305 1.00 4.39 H new ATOM 1696 N GLU A 104 6.173 13.868 -3.396 1.00 4.02 N ATOM 1697 CA GLU A 104 5.905 14.151 -4.785 1.00 4.43 C ATOM 1698 C GLU A 104 4.601 14.912 -4.811 1.00 4.28 C ATOM 1699 O GLU A 104 3.623 14.458 -5.410 1.00 4.73 O ATOM 1700 CB GLU A 104 5.772 12.880 -5.616 1.00 4.95 C ATOM 1701 CG GLU A 104 5.814 13.123 -7.117 1.00 5.34 C ATOM 1702 CD GLU A 104 5.453 11.892 -7.920 1.00 6.03 C ATOM 1703 OE1 GLU A 104 6.224 10.915 -7.907 1.00 6.26 O ATOM 1704 OE2 GLU A 104 4.394 11.903 -8.586 1.00 6.61 O ATOM 0 H GLU A 104 5.717 14.524 -2.762 1.00 4.02 H new ATOM 0 HA GLU A 104 6.730 14.718 -5.217 1.00 4.43 H new ATOM 0 HB2 GLU A 104 6.575 12.194 -5.345 1.00 4.95 H new ATOM 0 HB3 GLU A 104 4.833 12.388 -5.363 1.00 4.95 H new ATOM 0 HG2 GLU A 104 5.127 13.930 -7.369 1.00 5.34 H new ATOM 0 HG3 GLU A 104 6.813 13.455 -7.399 1.00 5.34 H new ATOM 1711 N ARG A 105 4.596 16.035 -4.079 1.00 3.93 N ATOM 1712 CA ARG A 105 3.420 16.913 -3.910 1.00 3.96 C ATOM 1713 C ARG A 105 2.179 16.140 -3.395 1.00 3.41 C ATOM 1714 O ARG A 105 2.253 14.930 -3.175 1.00 3.35 O ATOM 1715 CB ARG A 105 3.137 17.727 -5.202 1.00 4.49 C ATOM 1716 CG ARG A 105 3.137 16.930 -6.489 1.00 4.98 C ATOM 1717 CD ARG A 105 2.965 17.816 -7.707 1.00 5.81 C ATOM 1718 NE ARG A 105 2.951 17.043 -8.946 1.00 6.29 N ATOM 1719 CZ ARG A 105 3.327 17.529 -10.126 1.00 7.10 C ATOM 1720 NH1 ARG A 105 3.737 18.787 -10.226 1.00 7.50 N ATOM 1721 NH2 ARG A 105 3.293 16.758 -11.203 1.00 7.74 N ATOM 0 H ARG A 105 5.420 16.368 -3.578 1.00 3.93 H new ATOM 0 HA ARG A 105 3.657 17.636 -3.130 1.00 3.96 H new ATOM 0 HB2 ARG A 105 2.168 18.215 -5.098 1.00 4.49 H new ATOM 0 HB3 ARG A 105 3.884 18.516 -5.284 1.00 4.49 H new ATOM 0 HG2 ARG A 105 4.072 16.377 -6.573 1.00 4.98 H new ATOM 0 HG3 ARG A 105 2.333 16.194 -6.460 1.00 4.98 H new ATOM 0 HD2 ARG A 105 2.035 18.377 -7.619 1.00 5.81 H new ATOM 0 HD3 ARG A 105 3.775 18.545 -7.743 1.00 5.81 H new ATOM 0 HE ARG A 105 2.635 16.074 -8.904 1.00 6.29 H new ATOM 0 HH11 ARG A 105 3.764 19.382 -9.398 1.00 7.50 H new ATOM 0 HH12 ARG A 105 4.025 19.159 -11.131 1.00 7.50 H new ATOM 0 HH21 ARG A 105 2.978 15.791 -11.128 1.00 7.74 H new ATOM 0 HH22 ARG A 105 3.582 17.132 -12.107 1.00 7.74 H new ATOM 1735 N PRO A 106 1.058 16.844 -3.089 1.00 3.33 N ATOM 1736 CA PRO A 106 -0.220 16.228 -2.695 1.00 3.10 C ATOM 1737 C PRO A 106 -0.558 14.926 -3.440 1.00 2.43 C ATOM 1738 O PRO A 106 -0.214 14.753 -4.611 1.00 2.29 O ATOM 1739 CB PRO A 106 -1.249 17.315 -3.062 1.00 3.53 C ATOM 1740 CG PRO A 106 -0.462 18.538 -3.434 1.00 4.00 C ATOM 1741 CD PRO A 106 0.944 18.299 -2.971 1.00 3.83 C ATOM 0 HA PRO A 106 -0.199 15.934 -1.645 1.00 3.10 H new ATOM 0 HB2 PRO A 106 -1.877 16.990 -3.892 1.00 3.53 H new ATOM 0 HB3 PRO A 106 -1.912 17.521 -2.222 1.00 3.53 H new ATOM 0 HG2 PRO A 106 -0.492 18.706 -4.511 1.00 4.00 H new ATOM 0 HG3 PRO A 106 -0.880 19.427 -2.961 1.00 4.00 H new ATOM 0 HD2 PRO A 106 1.673 18.818 -3.594 1.00 3.83 H new ATOM 0 HD3 PRO A 106 1.100 18.639 -1.947 1.00 3.83 H new ATOM 1749 N PRO A 107 -1.259 13.997 -2.751 1.00 2.31 N ATOM 1750 CA PRO A 107 -1.621 12.684 -3.306 1.00 1.85 C ATOM 1751 C PRO A 107 -2.551 12.787 -4.513 1.00 1.51 C ATOM 1752 O PRO A 107 -3.290 13.767 -4.666 1.00 1.80 O ATOM 1753 CB PRO A 107 -2.358 11.981 -2.157 1.00 2.23 C ATOM 1754 CG PRO A 107 -2.027 12.754 -0.929 1.00 2.91 C ATOM 1755 CD PRO A 107 -1.759 14.162 -1.375 1.00 2.93 C ATOM 0 HA PRO A 107 -0.735 12.156 -3.659 1.00 1.85 H new ATOM 0 HB2 PRO A 107 -3.434 11.968 -2.333 1.00 2.23 H new ATOM 0 HB3 PRO A 107 -2.038 10.943 -2.064 1.00 2.23 H new ATOM 0 HG2 PRO A 107 -2.851 12.722 -0.216 1.00 2.91 H new ATOM 0 HG3 PRO A 107 -1.156 12.333 -0.428 1.00 2.91 H new ATOM 0 HD2 PRO A 107 -2.663 14.771 -1.346 1.00 2.93 H new ATOM 0 HD3 PRO A 107 -1.024 14.652 -0.737 1.00 2.93 H new ATOM 1763 N GLN A 108 -2.519 11.765 -5.357 1.00 1.09 N ATOM 1764 CA GLN A 108 -3.397 11.692 -6.513 1.00 0.94 C ATOM 1765 C GLN A 108 -3.874 10.255 -6.713 1.00 0.70 C ATOM 1766 O GLN A 108 -3.203 9.310 -6.288 1.00 0.64 O ATOM 1767 CB GLN A 108 -2.682 12.198 -7.770 1.00 1.18 C ATOM 1768 CG GLN A 108 -1.401 11.451 -8.098 1.00 1.72 C ATOM 1769 CD GLN A 108 -0.739 11.956 -9.365 1.00 2.15 C ATOM 1770 OE1 GLN A 108 -0.850 13.131 -9.717 1.00 2.57 O ATOM 1771 NE2 GLN A 108 -0.047 11.073 -10.064 1.00 2.71 N ATOM 0 H GLN A 108 -1.888 10.969 -5.260 1.00 1.09 H new ATOM 0 HA GLN A 108 -4.262 12.331 -6.335 1.00 0.94 H new ATOM 0 HB2 GLN A 108 -3.362 12.120 -8.618 1.00 1.18 H new ATOM 0 HB3 GLN A 108 -2.451 13.256 -7.643 1.00 1.18 H new ATOM 0 HG2 GLN A 108 -0.705 11.548 -7.265 1.00 1.72 H new ATOM 0 HG3 GLN A 108 -1.622 10.389 -8.206 1.00 1.72 H new ATOM 0 HE21 GLN A 108 0.023 10.108 -9.741 1.00 2.71 H new ATOM 0 HE22 GLN A 108 0.417 11.357 -10.927 1.00 2.71 H new ATOM 1780 N PRO A 109 -5.055 10.076 -7.331 1.00 0.68 N ATOM 1781 CA PRO A 109 -5.606 8.748 -7.624 1.00 0.55 C ATOM 1782 C PRO A 109 -4.694 7.941 -8.537 1.00 0.56 C ATOM 1783 O PRO A 109 -4.357 8.385 -9.633 1.00 0.80 O ATOM 1784 CB PRO A 109 -6.920 9.053 -8.349 1.00 0.65 C ATOM 1785 CG PRO A 109 -7.264 10.446 -7.957 1.00 0.82 C ATOM 1786 CD PRO A 109 -5.954 11.152 -7.784 1.00 0.91 C ATOM 0 HA PRO A 109 -5.727 8.153 -6.719 1.00 0.55 H new ATOM 0 HB2 PRO A 109 -6.804 8.965 -9.429 1.00 0.65 H new ATOM 0 HB3 PRO A 109 -7.704 8.355 -8.054 1.00 0.65 H new ATOM 0 HG2 PRO A 109 -7.872 10.930 -8.722 1.00 0.82 H new ATOM 0 HG3 PRO A 109 -7.842 10.462 -7.033 1.00 0.82 H new ATOM 0 HD2 PRO A 109 -5.610 11.599 -8.717 1.00 0.91 H new ATOM 0 HD3 PRO A 109 -6.022 11.956 -7.051 1.00 0.91 H new ATOM 1794 N LEU A 110 -4.289 6.764 -8.087 1.00 0.49 N ATOM 1795 CA LEU A 110 -3.433 5.907 -8.894 1.00 0.61 C ATOM 1796 C LEU A 110 -4.151 4.652 -9.334 1.00 0.51 C ATOM 1797 O LEU A 110 -3.764 3.998 -10.301 1.00 0.62 O ATOM 1798 CB LEU A 110 -2.176 5.518 -8.134 1.00 0.83 C ATOM 1799 CG LEU A 110 -0.977 6.462 -8.294 1.00 1.22 C ATOM 1800 CD1 LEU A 110 0.317 5.742 -7.953 1.00 1.89 C ATOM 1801 CD2 LEU A 110 -0.908 7.035 -9.703 1.00 1.61 C ATOM 0 H LEU A 110 -4.537 6.382 -7.174 1.00 0.49 H new ATOM 0 HA LEU A 110 -3.160 6.483 -9.778 1.00 0.61 H new ATOM 0 HB2 LEU A 110 -2.422 5.451 -7.074 1.00 0.83 H new ATOM 0 HB3 LEU A 110 -1.874 4.521 -8.455 1.00 0.83 H new ATOM 0 HG LEU A 110 -1.111 7.291 -7.600 1.00 1.22 H new ATOM 0 HD11 LEU A 110 1.157 6.427 -8.072 1.00 1.89 H new ATOM 0 HD12 LEU A 110 0.278 5.392 -6.921 1.00 1.89 H new ATOM 0 HD13 LEU A 110 0.446 4.890 -8.621 1.00 1.89 H new ATOM 0 HD21 LEU A 110 -0.048 7.700 -9.784 1.00 1.61 H new ATOM 0 HD22 LEU A 110 -0.807 6.222 -10.422 1.00 1.61 H new ATOM 0 HD23 LEU A 110 -1.820 7.594 -9.913 1.00 1.61 H new ATOM 1813 N ASN A 111 -5.200 4.334 -8.627 1.00 0.42 N ATOM 1814 CA ASN A 111 -5.979 3.145 -8.894 1.00 0.48 C ATOM 1815 C ASN A 111 -7.295 3.381 -8.232 1.00 0.42 C ATOM 1816 O ASN A 111 -7.491 4.438 -7.664 1.00 0.50 O ATOM 1817 CB ASN A 111 -5.316 1.864 -8.341 1.00 0.60 C ATOM 1818 CG ASN A 111 -5.745 0.621 -9.106 1.00 1.17 C ATOM 1819 OD1 ASN A 111 -6.843 0.562 -9.662 1.00 1.86 O ATOM 1820 ND2 ASN A 111 -4.883 -0.379 -9.147 1.00 1.75 N ATOM 0 H ASN A 111 -5.544 4.891 -7.845 1.00 0.42 H new ATOM 0 HA ASN A 111 -6.072 2.981 -9.967 1.00 0.48 H new ATOM 0 HB2 ASN A 111 -4.232 1.966 -8.394 1.00 0.60 H new ATOM 0 HB3 ASN A 111 -5.574 1.748 -7.288 1.00 0.60 H new ATOM 0 HD21 ASN A 111 -5.118 -1.234 -9.651 1.00 1.75 H new ATOM 0 HD22 ASN A 111 -3.983 -0.296 -8.675 1.00 1.75 H new ATOM 1827 N LYS A 112 -8.190 2.445 -8.302 1.00 0.59 N ATOM 1828 CA LYS A 112 -9.428 2.571 -7.624 1.00 0.60 C ATOM 1829 C LYS A 112 -9.957 1.220 -7.242 1.00 0.72 C ATOM 1830 O LYS A 112 -9.881 0.254 -8.002 1.00 0.84 O ATOM 1831 CB LYS A 112 -10.422 3.302 -8.490 1.00 0.72 C ATOM 1832 CG LYS A 112 -10.697 2.654 -9.835 1.00 1.33 C ATOM 1833 CD LYS A 112 -11.677 3.482 -10.647 1.00 1.68 C ATOM 1834 CE LYS A 112 -12.055 2.791 -11.944 1.00 2.31 C ATOM 1835 NZ LYS A 112 -12.764 1.505 -11.703 1.00 2.93 N ATOM 0 H LYS A 112 -8.078 1.579 -8.830 1.00 0.59 H new ATOM 0 HA LYS A 112 -9.270 3.147 -6.712 1.00 0.60 H new ATOM 0 HB2 LYS A 112 -11.362 3.388 -7.945 1.00 0.72 H new ATOM 0 HB3 LYS A 112 -10.058 4.315 -8.659 1.00 0.72 H new ATOM 0 HG2 LYS A 112 -9.764 2.544 -10.387 1.00 1.33 H new ATOM 0 HG3 LYS A 112 -11.099 1.652 -9.685 1.00 1.33 H new ATOM 0 HD2 LYS A 112 -12.575 3.665 -10.057 1.00 1.68 H new ATOM 0 HD3 LYS A 112 -11.237 4.454 -10.868 1.00 1.68 H new ATOM 0 HE2 LYS A 112 -12.691 3.451 -12.535 1.00 2.31 H new ATOM 0 HE3 LYS A 112 -11.156 2.605 -12.531 1.00 2.31 H new ATOM 0 HZ1 LYS A 112 -13.238 1.201 -12.577 1.00 2.93 H new ATOM 0 HZ2 LYS A 112 -12.078 0.780 -11.411 1.00 2.93 H new ATOM 0 HZ3 LYS A 112 -13.472 1.634 -10.952 1.00 2.93 H new ATOM 1849 N TRP A 113 -10.480 1.175 -6.051 1.00 0.77 N ATOM 1850 CA TRP A 113 -11.092 -0.011 -5.526 1.00 0.97 C ATOM 1851 C TRP A 113 -12.394 -0.289 -6.240 1.00 1.02 C ATOM 1852 O TRP A 113 -12.846 0.487 -7.088 1.00 1.12 O ATOM 1853 CB TRP A 113 -11.373 0.159 -4.047 1.00 1.07 C ATOM 1854 CG TRP A 113 -12.044 1.473 -3.761 1.00 0.99 C ATOM 1855 CD1 TRP A 113 -11.435 2.642 -3.405 1.00 0.86 C ATOM 1856 CD2 TRP A 113 -13.446 1.766 -3.849 1.00 1.35 C ATOM 1857 NE1 TRP A 113 -12.364 3.641 -3.278 1.00 1.06 N ATOM 1858 CE2 TRP A 113 -13.607 3.127 -3.538 1.00 1.36 C ATOM 1859 CE3 TRP A 113 -14.580 1.009 -4.160 1.00 1.82 C ATOM 1860 CZ2 TRP A 113 -14.854 3.746 -3.535 1.00 1.79 C ATOM 1861 CZ3 TRP A 113 -15.816 1.625 -4.154 1.00 2.23 C ATOM 1862 CH2 TRP A 113 -15.945 2.982 -3.844 1.00 2.20 C ATOM 0 H TRP A 113 -10.494 1.969 -5.410 1.00 0.77 H new ATOM 0 HA TRP A 113 -10.407 -0.845 -5.678 1.00 0.97 H new ATOM 0 HB2 TRP A 113 -12.006 -0.657 -3.700 1.00 1.07 H new ATOM 0 HB3 TRP A 113 -10.439 0.097 -3.489 1.00 1.07 H new ATOM 0 HD1 TRP A 113 -10.373 2.762 -3.246 1.00 0.86 H new ATOM 0 HE1 TRP A 113 -12.163 4.610 -3.030 1.00 1.06 H new ATOM 0 HE3 TRP A 113 -14.491 -0.040 -4.401 1.00 1.82 H new ATOM 0 HZ2 TRP A 113 -14.956 4.794 -3.297 1.00 1.79 H new ATOM 0 HZ3 TRP A 113 -16.698 1.049 -4.393 1.00 2.23 H new ATOM 0 HH2 TRP A 113 -16.925 3.436 -3.849 1.00 2.20 H new ATOM 1873 N ARG A 114 -13.002 -1.386 -5.873 1.00 1.34 N ATOM 1874 CA ARG A 114 -14.265 -1.781 -6.431 1.00 1.50 C ATOM 1875 C ARG A 114 -15.175 -2.269 -5.329 1.00 1.82 C ATOM 1876 O ARG A 114 -14.704 -2.629 -4.246 1.00 2.41 O ATOM 1877 CB ARG A 114 -14.055 -2.897 -7.417 1.00 1.80 C ATOM 1878 CG ARG A 114 -13.256 -2.513 -8.654 1.00 2.76 C ATOM 1879 CD ARG A 114 -13.128 -3.684 -9.616 1.00 3.56 C ATOM 1880 NE ARG A 114 -12.295 -3.357 -10.774 1.00 4.38 N ATOM 1881 CZ ARG A 114 -11.880 -4.254 -11.670 1.00 5.34 C ATOM 1882 NH1 ARG A 114 -12.246 -5.526 -11.563 1.00 5.63 N ATOM 1883 NH2 ARG A 114 -11.098 -3.874 -12.675 1.00 6.29 N ATOM 0 H ARG A 114 -12.632 -2.032 -5.176 1.00 1.34 H new ATOM 0 HA ARG A 114 -14.716 -0.925 -6.932 1.00 1.50 H new ATOM 0 HB2 ARG A 114 -13.545 -3.718 -6.912 1.00 1.80 H new ATOM 0 HB3 ARG A 114 -15.028 -3.272 -7.732 1.00 1.80 H new ATOM 0 HG2 ARG A 114 -13.742 -1.677 -9.158 1.00 2.76 H new ATOM 0 HG3 ARG A 114 -12.264 -2.173 -8.357 1.00 2.76 H new ATOM 0 HD2 ARG A 114 -12.700 -4.538 -9.092 1.00 3.56 H new ATOM 0 HD3 ARG A 114 -14.119 -3.983 -9.956 1.00 3.56 H new ATOM 0 HE ARG A 114 -12.015 -2.385 -10.904 1.00 4.38 H new ATOM 0 HH11 ARG A 114 -12.847 -5.821 -10.793 1.00 5.63 H new ATOM 0 HH12 ARG A 114 -11.926 -6.208 -12.251 1.00 5.63 H new ATOM 0 HH21 ARG A 114 -10.816 -2.898 -12.761 1.00 6.29 H new ATOM 0 HH22 ARG A 114 -10.780 -4.559 -13.361 1.00 6.29 H new ATOM 1897 N SER A 115 -16.452 -2.335 -5.657 1.00 2.02 N ATOM 1898 CA SER A 115 -17.517 -2.678 -4.721 1.00 2.76 C ATOM 1899 C SER A 115 -18.847 -2.179 -5.280 1.00 3.19 C ATOM 1900 O SER A 115 -19.241 -1.034 -4.975 1.00 3.60 O ATOM 1901 CB SER A 115 -17.255 -2.079 -3.340 1.00 3.33 C ATOM 1902 OG SER A 115 -18.309 -2.350 -2.427 1.00 4.01 O ATOM 1903 OXT SER A 115 -19.481 -2.917 -6.061 1.00 3.62 O ATOM 0 H SER A 115 -16.789 -2.148 -6.601 1.00 2.02 H new ATOM 0 HA SER A 115 -17.551 -3.761 -4.603 1.00 2.76 H new ATOM 0 HB2 SER A 115 -16.322 -2.479 -2.944 1.00 3.33 H new ATOM 0 HB3 SER A 115 -17.125 -1.001 -3.433 1.00 3.33 H new ATOM 0 HG SER A 115 -18.099 -1.950 -1.557 1.00 4.01 H new