USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 808 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 898 ASN : amide:sc= -6.54! C(o=-6.5!,f=-9.6!) USER MOD Set 1.2: A1009 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 974 HIS : no HE2:sc= -3.91! C(o=-4.6!,f=-23!) USER MOD Set 2.2: A 975 LYS NZ :NH3+ 173:sc= -0.646 (180deg=-0.66) USER MOD Set 3.1: A 939 TYR OH : rot 180:sc= -0.0667 USER MOD Set 3.2: A 971 MET CE :methyl 156:sc= -3.36! (180deg=-4.63!) USER MOD Set 4.1: A 948 GLN : amide:sc= -8.05! C(o=-12!,f=-5.2!) USER MOD Set 4.2: A 955 GLN : amide:sc= -4.31! K(o=-12!,f=-6.2) USER MOD Set 5.1: A 915 CYS SG : rot 40:sc= -6.68! USER MOD Set 5.2: A 930 ASN : amide:sc= -5.56! C(o=-14!,f=-25!) USER MOD Set 5.3: A 932 THR OG1 : rot -161:sc= -1.63 USER MOD Set 6.1: A 909 ASN : amide:sc= -2.82! C(o=-4.4!,f=-7!) USER MOD Set 6.2: A 966 GLN : amide:sc= -1.6 K(o=-4.4,f=-9.5!) USER MOD Set 7.1: A 907 CYS SG : rot 122:sc= 0.741 USER MOD Set 7.2: A 962 CYS SG : rot -171:sc= 1.42! USER MOD Single : A 899 ASN : amide:sc= -0.878 K(o=-0.88,f=-4.2!) USER MOD Single : A 901 SER OG : rot 180:sc= 0 USER MOD Single : A 904 THR OG1 : rot 180:sc= -0.849 USER MOD Single : A 908 LYS NZ :NH3+ -144:sc= 0.86 (180deg=0.0538) USER MOD Single : A 911 SER OG : rot -96:sc= 0.0632! USER MOD Single : A 916 SER OG : rot 180:sc= -1.15! USER MOD Single : A 921 HIS : no HD1:sc= -0.0827 K(o=-0.083,f=-0.62) USER MOD Single : A 931 MET CE :methyl -109:sc= 0 (180deg=-0.064) USER MOD Single : A 936 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 944 ASN : amide:sc= -14.7! C(o=-15!,f=-13!) USER MOD Single : A 945 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0663) USER MOD Single : A 957 ASN : amide:sc= -3.84! K(o=-3.8!,f=-1.1) USER MOD Single : A 963 LYS NZ :NH3+ 160:sc= -10.7! (180deg=-12.9!) USER MOD Single : A 970 THR OG1 : rot 180:sc= 0 USER MOD Single : A 972 MET CE :methyl 171:sc= 0 (180deg=-0.188) USER MOD Single : A 981 CYS SG : rot 148:sc= 0.753 USER MOD Single : A 983 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 986 ASN : amide:sc= -5! C(o=-5!,f=-3.6!) USER MOD Single : A 992 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 997 LYS NZ :NH3+ 179:sc= -4.83! (180deg=-4.94!) USER MOD Single : A 998 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 999 GLN : amide:sc= -1.26 X(o=-1.3,f=-0.82) USER MOD Single : A1000 TYR OH : rot 180:sc= 0 USER MOD Single : A1001 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1002 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 101 N ASN A 898 16.000 -9.041 -5.002 1.00 52.14 N ATOM 102 CA ASN A 898 16.933 -10.095 -5.362 1.00 3.12 C ATOM 103 C ASN A 898 17.471 -10.750 -4.088 1.00 74.40 C ATOM 104 O ASN A 898 18.531 -11.374 -4.106 1.00 52.13 O ATOM 105 CB ASN A 898 18.123 -9.534 -6.143 1.00 2.01 C ATOM 106 CG ASN A 898 19.098 -10.647 -6.532 1.00 31.43 C ATOM 107 OD1 ASN A 898 20.145 -10.829 -5.932 1.00 52.30 O ATOM 108 ND2 ASN A 898 18.697 -11.381 -7.566 1.00 52.42 N ATOM 0 HA ASN A 898 16.403 -10.818 -5.982 1.00 3.12 H new ATOM 0 HB2 ASN A 898 17.767 -9.027 -7.040 1.00 2.01 H new ATOM 0 HB3 ASN A 898 18.640 -8.788 -5.539 1.00 2.01 H new ATOM 0 HD21 ASN A 898 19.278 -12.150 -7.901 1.00 52.42 H new ATOM 0 HD22 ASN A 898 17.809 -11.175 -8.024 1.00 52.42 H new ATOM 115 N ASN A 899 16.715 -10.587 -3.012 1.00 54.14 N ATOM 116 CA ASN A 899 17.102 -11.155 -1.732 1.00 75.02 C ATOM 117 C ASN A 899 16.207 -12.357 -1.421 1.00 42.23 C ATOM 118 O ASN A 899 14.982 -12.248 -1.450 1.00 44.33 O ATOM 119 CB ASN A 899 16.933 -10.136 -0.604 1.00 10.22 C ATOM 120 CG ASN A 899 18.036 -10.291 0.445 1.00 60.41 C ATOM 121 OD1 ASN A 899 18.226 -11.344 1.033 1.00 54.43 O ATOM 122 ND2 ASN A 899 18.751 -9.188 0.646 1.00 32.01 N ATOM 0 H ASN A 899 15.836 -10.069 -3.001 1.00 54.14 H new ATOM 0 HA ASN A 899 18.149 -11.451 -1.797 1.00 75.02 H new ATOM 0 HB2 ASN A 899 16.956 -9.127 -1.015 1.00 10.22 H new ATOM 0 HB3 ASN A 899 15.958 -10.267 -0.134 1.00 10.22 H new ATOM 0 HD21 ASN A 899 19.511 -9.190 1.326 1.00 32.01 H new ATOM 0 HD22 ASN A 899 18.539 -8.340 0.120 1.00 32.01 H new ATOM 129 N PRO A 900 16.871 -13.506 -1.123 1.00 43.41 N ATOM 130 CA PRO A 900 16.150 -14.727 -0.807 1.00 11.40 C ATOM 131 C PRO A 900 15.556 -14.664 0.602 1.00 52.54 C ATOM 132 O PRO A 900 14.915 -15.612 1.052 1.00 50.01 O ATOM 133 CB PRO A 900 17.171 -15.841 -0.972 1.00 12.42 C ATOM 134 CG PRO A 900 18.533 -15.168 -0.919 1.00 62.53 C ATOM 135 CD PRO A 900 18.321 -13.672 -1.079 1.00 41.10 C ATOM 0 HA PRO A 900 15.293 -14.890 -1.460 1.00 11.40 H new ATOM 0 HB2 PRO A 900 17.071 -16.583 -0.180 1.00 12.42 H new ATOM 0 HB3 PRO A 900 17.030 -16.363 -1.918 1.00 12.42 H new ATOM 0 HG2 PRO A 900 19.029 -15.384 0.027 1.00 62.53 H new ATOM 0 HG3 PRO A 900 19.178 -15.549 -1.711 1.00 62.53 H new ATOM 0 HD2 PRO A 900 18.758 -13.119 -0.248 1.00 41.10 H new ATOM 0 HD3 PRO A 900 18.790 -13.301 -1.990 1.00 41.10 H new ATOM 143 N SER A 901 15.790 -13.537 1.258 1.00 53.31 N ATOM 144 CA SER A 901 15.286 -13.337 2.606 1.00 35.41 C ATOM 145 C SER A 901 13.838 -12.844 2.556 1.00 71.41 C ATOM 146 O SER A 901 13.074 -13.053 3.498 1.00 45.35 O ATOM 147 CB SER A 901 16.157 -12.346 3.379 1.00 3.21 C ATOM 148 OG SER A 901 15.859 -12.346 4.773 1.00 71.14 O ATOM 0 H SER A 901 16.322 -12.753 0.881 1.00 53.31 H new ATOM 0 HA SER A 901 15.320 -14.293 3.128 1.00 35.41 H new ATOM 0 HB2 SER A 901 17.208 -12.597 3.233 1.00 3.21 H new ATOM 0 HB3 SER A 901 16.010 -11.344 2.977 1.00 3.21 H new ATOM 0 HG SER A 901 16.438 -11.701 5.231 1.00 71.14 H new ATOM 154 N LEU A 902 13.504 -12.200 1.447 1.00 20.23 N ATOM 155 CA LEU A 902 12.162 -11.676 1.262 1.00 54.01 C ATOM 156 C LEU A 902 11.284 -12.750 0.617 1.00 72.33 C ATOM 157 O LEU A 902 10.061 -12.721 0.751 1.00 65.13 O ATOM 158 CB LEU A 902 12.203 -10.363 0.478 1.00 52.13 C ATOM 159 CG LEU A 902 13.412 -9.463 0.740 1.00 12.40 C ATOM 160 CD1 LEU A 902 13.772 -8.652 -0.506 1.00 44.13 C ATOM 161 CD2 LEU A 902 13.175 -8.567 1.958 1.00 54.04 C ATOM 0 H LEU A 902 14.140 -12.029 0.668 1.00 20.23 H new ATOM 0 HA LEU A 902 11.712 -11.432 2.225 1.00 54.01 H new ATOM 0 HB2 LEU A 902 12.173 -10.597 -0.586 1.00 52.13 H new ATOM 0 HB3 LEU A 902 11.299 -9.799 0.706 1.00 52.13 H new ATOM 0 HG LEU A 902 14.267 -10.099 0.969 1.00 12.40 H new ATOM 0 HD11 LEU A 902 14.635 -8.021 -0.293 1.00 44.13 H new ATOM 0 HD12 LEU A 902 14.012 -9.330 -1.325 1.00 44.13 H new ATOM 0 HD13 LEU A 902 12.926 -8.026 -0.790 1.00 44.13 H new ATOM 0 HD21 LEU A 902 14.050 -7.937 2.122 1.00 54.04 H new ATOM 0 HD22 LEU A 902 12.303 -7.938 1.782 1.00 54.04 H new ATOM 0 HD23 LEU A 902 13.004 -9.187 2.838 1.00 54.04 H new ATOM 173 N ILE A 903 11.942 -13.673 -0.069 1.00 73.24 N ATOM 174 CA ILE A 903 11.237 -14.755 -0.736 1.00 15.13 C ATOM 175 C ILE A 903 11.312 -16.016 0.128 1.00 43.50 C ATOM 176 O ILE A 903 12.213 -16.153 0.954 1.00 21.12 O ATOM 177 CB ILE A 903 11.772 -14.949 -2.156 1.00 21.23 C ATOM 178 CG1 ILE A 903 13.051 -15.789 -2.149 1.00 44.40 C ATOM 179 CG2 ILE A 903 11.973 -13.603 -2.855 1.00 24.13 C ATOM 180 CD1 ILE A 903 13.981 -15.381 -3.294 1.00 54.12 C ATOM 0 H ILE A 903 12.956 -13.694 -0.177 1.00 73.24 H new ATOM 0 HA ILE A 903 10.181 -14.509 -0.850 1.00 15.13 H new ATOM 0 HB ILE A 903 11.027 -15.501 -2.730 1.00 21.23 H new ATOM 0 HG12 ILE A 903 13.566 -15.666 -1.196 1.00 44.40 H new ATOM 0 HG13 ILE A 903 12.797 -16.845 -2.240 1.00 44.40 H new ATOM 0 HG21 ILE A 903 12.354 -13.770 -3.863 1.00 24.13 H new ATOM 0 HG22 ILE A 903 11.021 -13.076 -2.910 1.00 24.13 H new ATOM 0 HG23 ILE A 903 12.688 -13.004 -2.291 1.00 24.13 H new ATOM 0 HD11 ILE A 903 14.882 -15.993 -3.266 1.00 54.12 H new ATOM 0 HD12 ILE A 903 13.472 -15.528 -4.246 1.00 54.12 H new ATOM 0 HD13 ILE A 903 14.252 -14.331 -3.186 1.00 54.12 H new ATOM 192 N THR A 904 10.354 -16.904 -0.093 1.00 4.13 N ATOM 193 CA THR A 904 10.301 -18.149 0.655 1.00 2.51 C ATOM 194 C THR A 904 9.694 -19.261 -0.203 1.00 3.53 C ATOM 195 O THR A 904 9.008 -18.986 -1.186 1.00 62.51 O ATOM 196 CB THR A 904 9.528 -17.890 1.950 1.00 44.51 C ATOM 197 OG1 THR A 904 9.759 -16.510 2.222 1.00 53.24 O ATOM 198 CG2 THR A 904 10.140 -18.613 3.152 1.00 53.05 C ATOM 0 H THR A 904 9.608 -16.786 -0.779 1.00 4.13 H new ATOM 0 HA THR A 904 11.300 -18.494 0.920 1.00 2.51 H new ATOM 0 HB THR A 904 8.493 -18.207 1.824 1.00 44.51 H new ATOM 0 HG1 THR A 904 9.292 -16.256 3.045 1.00 53.24 H new ATOM 0 HG21 THR A 904 9.554 -18.396 4.045 1.00 53.05 H new ATOM 0 HG22 THR A 904 10.138 -19.688 2.970 1.00 53.05 H new ATOM 0 HG23 THR A 904 11.165 -18.271 3.299 1.00 53.05 H new ATOM 206 N PHE A 905 9.969 -20.492 0.201 1.00 30.21 N ATOM 207 CA PHE A 905 9.459 -21.647 -0.518 1.00 54.13 C ATOM 208 C PHE A 905 8.224 -22.224 0.177 1.00 72.13 C ATOM 209 O PHE A 905 8.174 -22.295 1.404 1.00 61.13 O ATOM 210 CB PHE A 905 10.568 -22.700 -0.518 1.00 63.13 C ATOM 211 CG PHE A 905 11.892 -22.210 -1.110 1.00 14.25 C ATOM 212 CD1 PHE A 905 11.953 -21.000 -1.728 1.00 4.14 C ATOM 213 CD2 PHE A 905 13.006 -22.984 -1.017 1.00 1.22 C ATOM 214 CE1 PHE A 905 13.182 -20.545 -2.276 1.00 54.22 C ATOM 215 CE2 PHE A 905 14.234 -22.529 -1.565 1.00 41.35 C ATOM 216 CZ PHE A 905 14.296 -21.319 -2.184 1.00 0.25 C ATOM 0 H PHE A 905 10.539 -20.715 1.017 1.00 30.21 H new ATOM 0 HA PHE A 905 9.172 -21.359 -1.529 1.00 54.13 H new ATOM 0 HB2 PHE A 905 10.740 -23.031 0.506 1.00 63.13 H new ATOM 0 HB3 PHE A 905 10.229 -23.569 -1.082 1.00 63.13 H new ATOM 0 HD1 PHE A 905 11.068 -20.386 -1.802 1.00 4.14 H new ATOM 0 HD2 PHE A 905 12.957 -23.945 -0.526 1.00 1.22 H new ATOM 0 HE1 PHE A 905 13.232 -19.584 -2.766 1.00 54.22 H new ATOM 0 HE2 PHE A 905 15.119 -23.143 -1.491 1.00 41.35 H new ATOM 0 HZ PHE A 905 15.230 -20.973 -2.602 1.00 0.25 H new ATOM 226 N LEU A 906 7.258 -22.622 -0.638 1.00 15.13 N ATOM 227 CA LEU A 906 6.026 -23.191 -0.116 1.00 42.35 C ATOM 228 C LEU A 906 5.675 -24.451 -0.911 1.00 3.54 C ATOM 229 O LEU A 906 6.336 -24.816 -1.882 1.00 43.22 O ATOM 230 CB LEU A 906 4.913 -22.141 -0.106 1.00 4.33 C ATOM 231 CG LEU A 906 5.358 -20.695 0.123 1.00 11.43 C ATOM 232 CD1 LEU A 906 4.316 -19.710 -0.410 1.00 13.21 C ATOM 233 CD2 LEU A 906 5.679 -20.447 1.599 1.00 52.24 C ATOM 0 H LEU A 906 7.303 -22.562 -1.655 1.00 15.13 H new ATOM 0 HA LEU A 906 6.156 -23.494 0.923 1.00 42.35 H new ATOM 0 HB2 LEU A 906 4.385 -22.191 -1.058 1.00 4.33 H new ATOM 0 HB3 LEU A 906 4.196 -22.407 0.671 1.00 4.33 H new ATOM 0 HG LEU A 906 6.277 -20.527 -0.439 1.00 11.43 H new ATOM 0 HD11 LEU A 906 4.657 -18.690 -0.235 1.00 13.21 H new ATOM 0 HD12 LEU A 906 4.179 -19.868 -1.480 1.00 13.21 H new ATOM 0 HD13 LEU A 906 3.368 -19.869 0.104 1.00 13.21 H new ATOM 0 HD21 LEU A 906 5.993 -19.412 1.734 1.00 52.24 H new ATOM 0 HD22 LEU A 906 4.791 -20.639 2.202 1.00 52.24 H new ATOM 0 HD23 LEU A 906 6.482 -21.113 1.914 1.00 52.24 H new ATOM 245 N CYS A 907 4.609 -25.113 -0.471 1.00 45.24 N ATOM 246 CA CYS A 907 4.146 -26.333 -1.120 1.00 24.40 C ATOM 247 C CYS A 907 3.114 -26.019 -2.199 1.00 63.02 C ATOM 248 O CYS A 907 2.086 -25.419 -1.892 1.00 13.14 O ATOM 249 CB CYS A 907 3.545 -27.288 -0.087 1.00 62.52 C ATOM 250 SG CYS A 907 2.951 -28.862 -0.788 1.00 14.14 S ATOM 0 H CYS A 907 4.050 -24.824 0.332 1.00 45.24 H new ATOM 0 HA CYS A 907 5.004 -26.811 -1.592 1.00 24.40 H new ATOM 0 HB2 CYS A 907 4.295 -27.502 0.675 1.00 62.52 H new ATOM 0 HB3 CYS A 907 2.715 -26.789 0.414 1.00 62.52 H new ATOM 0 HG CYS A 907 3.566 -29.853 -0.213 1.00 14.14 H new ATOM 255 N LYS A 908 3.408 -26.425 -3.426 1.00 32.44 N ATOM 256 CA LYS A 908 2.499 -26.180 -4.533 1.00 23.22 C ATOM 257 C LYS A 908 1.105 -26.694 -4.166 1.00 65.15 C ATOM 258 O LYS A 908 0.145 -25.927 -4.138 1.00 53.51 O ATOM 259 CB LYS A 908 3.056 -26.780 -5.825 1.00 72.25 C ATOM 260 CG LYS A 908 1.979 -26.840 -6.910 1.00 74.14 C ATOM 261 CD LYS A 908 2.590 -26.657 -8.301 1.00 21.11 C ATOM 262 CE LYS A 908 2.801 -28.007 -8.989 1.00 25.21 C ATOM 263 NZ LYS A 908 3.273 -27.813 -10.378 1.00 51.33 N ATOM 0 H LYS A 908 4.263 -26.922 -3.678 1.00 32.44 H new ATOM 0 HA LYS A 908 2.405 -25.110 -4.720 1.00 23.22 H new ATOM 0 HB2 LYS A 908 3.897 -26.182 -6.175 1.00 72.25 H new ATOM 0 HB3 LYS A 908 3.437 -27.782 -5.630 1.00 72.25 H new ATOM 0 HG2 LYS A 908 1.460 -27.797 -6.860 1.00 74.14 H new ATOM 0 HG3 LYS A 908 1.234 -26.064 -6.731 1.00 74.14 H new ATOM 0 HD2 LYS A 908 1.936 -26.033 -8.910 1.00 21.11 H new ATOM 0 HD3 LYS A 908 3.543 -26.134 -8.218 1.00 21.11 H new ATOM 0 HE2 LYS A 908 3.528 -28.597 -8.431 1.00 25.21 H new ATOM 0 HE3 LYS A 908 1.868 -28.570 -8.991 1.00 25.21 H new ATOM 0 HZ1 LYS A 908 2.860 -28.545 -10.990 1.00 51.33 H new ATOM 0 HZ2 LYS A 908 2.981 -26.874 -10.716 1.00 51.33 H new ATOM 0 HZ3 LYS A 908 4.310 -27.884 -10.405 1.00 51.33 H new ATOM 276 N ASN A 909 1.040 -27.989 -3.895 1.00 74.23 N ATOM 277 CA ASN A 909 -0.221 -28.615 -3.532 1.00 3.40 C ATOM 278 C ASN A 909 -0.936 -27.746 -2.496 1.00 11.33 C ATOM 279 O ASN A 909 -2.062 -27.304 -2.721 1.00 63.04 O ATOM 280 CB ASN A 909 0.008 -29.996 -2.914 1.00 53.44 C ATOM 281 CG ASN A 909 -0.025 -31.088 -3.986 1.00 1.54 C ATOM 282 OD1 ASN A 909 0.250 -30.858 -5.152 1.00 10.42 O ATOM 283 ND2 ASN A 909 -0.375 -32.285 -3.526 1.00 74.44 N ATOM 0 H ASN A 909 1.839 -28.622 -3.919 1.00 74.23 H new ATOM 0 HA ASN A 909 -0.819 -28.720 -4.437 1.00 3.40 H new ATOM 0 HB2 ASN A 909 0.969 -30.014 -2.401 1.00 53.44 H new ATOM 0 HB3 ASN A 909 -0.758 -30.194 -2.164 1.00 53.44 H new ATOM 0 HD21 ASN A 909 -0.426 -33.081 -4.162 1.00 74.44 H new ATOM 0 HD22 ASN A 909 -0.592 -32.408 -2.537 1.00 74.44 H new ATOM 290 N CYS A 910 -0.253 -27.526 -1.382 1.00 35.44 N ATOM 291 CA CYS A 910 -0.810 -26.718 -0.310 1.00 23.22 C ATOM 292 C CYS A 910 -0.225 -25.309 -0.418 1.00 3.42 C ATOM 293 O CYS A 910 -0.665 -24.512 -1.245 1.00 10.43 O ATOM 294 CB CYS A 910 -0.548 -27.341 1.063 1.00 62.22 C ATOM 295 SG CYS A 910 -1.303 -28.989 1.314 1.00 13.14 S ATOM 0 H CYS A 910 0.681 -27.893 -1.199 1.00 35.44 H new ATOM 0 HA CYS A 910 -1.894 -26.670 -0.413 1.00 23.22 H new ATOM 0 HB2 CYS A 910 0.529 -27.424 1.209 1.00 62.22 H new ATOM 0 HB3 CYS A 910 -0.923 -26.664 1.831 1.00 62.22 H new ATOM 300 N SER A 911 0.759 -25.044 0.430 1.00 72.24 N ATOM 301 CA SER A 911 1.409 -23.745 0.440 1.00 52.42 C ATOM 302 C SER A 911 2.007 -23.470 1.821 1.00 42.42 C ATOM 303 O SER A 911 1.893 -22.361 2.342 1.00 75.15 O ATOM 304 CB SER A 911 0.428 -22.635 0.056 1.00 73.20 C ATOM 305 OG SER A 911 -0.888 -22.895 0.539 1.00 5.12 O ATOM 0 H SER A 911 1.121 -25.707 1.115 1.00 72.24 H new ATOM 0 HA SER A 911 2.209 -23.757 -0.300 1.00 52.42 H new ATOM 0 HB2 SER A 911 0.780 -21.685 0.457 1.00 73.20 H new ATOM 0 HB3 SER A 911 0.402 -22.533 -1.029 1.00 73.20 H new ATOM 0 HG SER A 911 -1.419 -23.315 -0.169 1.00 5.12 H new ATOM 311 N VAL A 912 2.633 -24.498 2.375 1.00 53.22 N ATOM 312 CA VAL A 912 3.249 -24.381 3.685 1.00 4.03 C ATOM 313 C VAL A 912 4.731 -24.036 3.518 1.00 15.33 C ATOM 314 O VAL A 912 5.423 -24.638 2.700 1.00 44.25 O ATOM 315 CB VAL A 912 3.021 -25.664 4.487 1.00 3.12 C ATOM 316 CG1 VAL A 912 1.622 -26.228 4.233 1.00 11.22 C ATOM 317 CG2 VAL A 912 4.097 -26.705 4.173 1.00 25.23 C ATOM 0 H VAL A 912 2.727 -25.416 1.940 1.00 53.22 H new ATOM 0 HA VAL A 912 2.789 -23.572 4.253 1.00 4.03 H new ATOM 0 HB VAL A 912 3.095 -25.415 5.546 1.00 3.12 H new ATOM 0 HG11 VAL A 912 1.486 -27.140 4.815 1.00 11.22 H new ATOM 0 HG12 VAL A 912 0.874 -25.493 4.530 1.00 11.22 H new ATOM 0 HG13 VAL A 912 1.508 -26.454 3.173 1.00 11.22 H new ATOM 0 HG21 VAL A 912 3.912 -27.607 4.756 1.00 25.23 H new ATOM 0 HG22 VAL A 912 4.070 -26.948 3.111 1.00 25.23 H new ATOM 0 HG23 VAL A 912 5.078 -26.303 4.428 1.00 25.23 H new ATOM 327 N LEU A 913 5.172 -23.068 4.308 1.00 42.55 N ATOM 328 CA LEU A 913 6.558 -22.635 4.257 1.00 4.14 C ATOM 329 C LEU A 913 7.466 -23.797 4.666 1.00 11.13 C ATOM 330 O LEU A 913 7.532 -24.154 5.842 1.00 40.35 O ATOM 331 CB LEU A 913 6.757 -21.374 5.100 1.00 11.53 C ATOM 332 CG LEU A 913 8.188 -20.838 5.179 1.00 11.21 C ATOM 333 CD1 LEU A 913 8.909 -21.379 6.415 1.00 33.31 C ATOM 334 CD2 LEU A 913 8.957 -21.136 3.890 1.00 31.25 C ATOM 0 H LEU A 913 4.594 -22.572 4.987 1.00 42.55 H new ATOM 0 HA LEU A 913 6.833 -22.357 3.239 1.00 4.14 H new ATOM 0 HB2 LEU A 913 6.118 -20.588 4.698 1.00 11.53 H new ATOM 0 HB3 LEU A 913 6.411 -21.580 6.113 1.00 11.53 H new ATOM 0 HG LEU A 913 8.141 -19.754 5.283 1.00 11.21 H new ATOM 0 HD11 LEU A 913 9.924 -20.983 6.447 1.00 33.31 H new ATOM 0 HD12 LEU A 913 8.372 -21.073 7.313 1.00 33.31 H new ATOM 0 HD13 LEU A 913 8.946 -22.467 6.367 1.00 33.31 H new ATOM 0 HD21 LEU A 913 9.971 -20.745 3.972 1.00 31.25 H new ATOM 0 HD22 LEU A 913 8.996 -22.214 3.730 1.00 31.25 H new ATOM 0 HD23 LEU A 913 8.453 -20.662 3.048 1.00 31.25 H new ATOM 346 N ALA A 914 8.143 -24.355 3.673 1.00 13.03 N ATOM 347 CA ALA A 914 9.043 -25.469 3.915 1.00 64.30 C ATOM 348 C ALA A 914 10.419 -24.930 4.314 1.00 35.55 C ATOM 349 O ALA A 914 11.105 -25.525 5.144 1.00 64.34 O ATOM 350 CB ALA A 914 9.104 -26.356 2.670 1.00 70.32 C ATOM 0 H ALA A 914 8.086 -24.056 2.699 1.00 13.03 H new ATOM 0 HA ALA A 914 8.678 -26.085 4.737 1.00 64.30 H new ATOM 0 HB1 ALA A 914 9.779 -27.192 2.852 1.00 70.32 H new ATOM 0 HB2 ALA A 914 8.108 -26.737 2.445 1.00 70.32 H new ATOM 0 HB3 ALA A 914 9.468 -25.772 1.825 1.00 70.32 H new ATOM 356 N CYS A 915 10.779 -23.810 3.706 1.00 64.30 N ATOM 357 CA CYS A 915 12.060 -23.185 3.988 1.00 42.42 C ATOM 358 C CYS A 915 12.145 -21.883 3.189 1.00 40.34 C ATOM 359 O CYS A 915 11.316 -21.631 2.315 1.00 22.22 O ATOM 360 CB CYS A 915 13.228 -24.122 3.677 1.00 64.42 C ATOM 361 SG CYS A 915 14.504 -23.987 4.982 1.00 44.55 S ATOM 0 H CYS A 915 10.206 -23.319 3.019 1.00 64.30 H new ATOM 0 HA CYS A 915 12.132 -22.963 5.053 1.00 42.42 H new ATOM 0 HB2 CYS A 915 12.872 -25.150 3.610 1.00 64.42 H new ATOM 0 HB3 CYS A 915 13.659 -23.870 2.708 1.00 64.42 H new ATOM 0 HG CYS A 915 13.928 -23.891 6.144 1.00 44.55 H new ATOM 367 N SER A 916 13.154 -21.089 3.516 1.00 23.41 N ATOM 368 CA SER A 916 13.358 -19.820 2.840 1.00 42.43 C ATOM 369 C SER A 916 14.589 -19.901 1.934 1.00 54.10 C ATOM 370 O SER A 916 15.457 -20.749 2.134 1.00 35.24 O ATOM 371 CB SER A 916 13.515 -18.678 3.846 1.00 34.24 C ATOM 372 OG SER A 916 12.536 -18.741 4.881 1.00 43.13 O ATOM 0 H SER A 916 13.840 -21.301 4.241 1.00 23.41 H new ATOM 0 HA SER A 916 12.478 -19.613 2.230 1.00 42.43 H new ATOM 0 HB2 SER A 916 14.511 -18.717 4.286 1.00 34.24 H new ATOM 0 HB3 SER A 916 13.433 -17.723 3.327 1.00 34.24 H new ATOM 0 HG SER A 916 12.670 -17.997 5.504 1.00 43.13 H new ATOM 378 N GLY A 917 14.624 -19.007 0.957 1.00 64.13 N ATOM 379 CA GLY A 917 15.734 -18.967 0.019 1.00 1.15 C ATOM 380 C GLY A 917 17.066 -18.804 0.754 1.00 44.42 C ATOM 381 O GLY A 917 18.036 -19.497 0.450 1.00 32.11 O ATOM 0 H GLY A 917 13.902 -18.305 0.794 1.00 64.13 H new ATOM 0 HA2 GLY A 917 15.750 -19.883 -0.571 1.00 1.15 H new ATOM 0 HA3 GLY A 917 15.596 -18.141 -0.679 1.00 1.15 H new ATOM 385 N GLU A 918 17.072 -17.883 1.706 1.00 14.52 N ATOM 386 CA GLU A 918 18.269 -17.619 2.486 1.00 31.33 C ATOM 387 C GLU A 918 18.631 -18.842 3.332 1.00 51.11 C ATOM 388 O GLU A 918 19.789 -19.023 3.704 1.00 64.04 O ATOM 389 CB GLU A 918 18.090 -16.379 3.364 1.00 33.11 C ATOM 390 CG GLU A 918 16.996 -16.601 4.410 1.00 34.33 C ATOM 391 CD GLU A 918 17.293 -15.816 5.690 1.00 71.34 C ATOM 392 OE1 GLU A 918 18.115 -14.888 5.671 1.00 72.15 O ATOM 393 OE2 GLU A 918 16.634 -16.200 6.730 1.00 22.22 O ATOM 0 H GLU A 918 16.266 -17.310 1.955 1.00 14.52 H new ATOM 0 HA GLU A 918 19.091 -17.420 1.798 1.00 31.33 H new ATOM 0 HB2 GLU A 918 19.031 -16.142 3.861 1.00 33.11 H new ATOM 0 HB3 GLU A 918 17.834 -15.522 2.741 1.00 33.11 H new ATOM 0 HG2 GLU A 918 16.033 -16.292 4.005 1.00 34.33 H new ATOM 0 HG3 GLU A 918 16.919 -17.664 4.641 1.00 34.33 H new ATOM 401 N ASP A 919 17.618 -19.649 3.611 1.00 23.42 N ATOM 402 CA ASP A 919 17.815 -20.850 4.406 1.00 4.41 C ATOM 403 C ASP A 919 18.076 -22.035 3.475 1.00 22.51 C ATOM 404 O ASP A 919 17.729 -23.171 3.798 1.00 40.43 O ATOM 405 CB ASP A 919 16.573 -21.168 5.240 1.00 1.14 C ATOM 406 CG ASP A 919 16.854 -21.827 6.592 1.00 15.24 C ATOM 407 OD1 ASP A 919 15.928 -22.246 7.303 1.00 73.43 O ATOM 408 OD2 ASP A 919 18.101 -21.902 6.914 1.00 74.52 O ATOM 0 H ASP A 919 16.658 -19.495 3.301 1.00 23.42 H new ATOM 0 HA ASP A 919 18.662 -20.679 5.071 1.00 4.41 H new ATOM 0 HB2 ASP A 919 16.022 -20.243 5.411 1.00 1.14 H new ATOM 0 HB3 ASP A 919 15.923 -21.824 4.661 1.00 1.14 H new ATOM 414 N ILE A 920 18.685 -21.732 2.339 1.00 45.44 N ATOM 415 CA ILE A 920 18.997 -22.758 1.359 1.00 72.34 C ATOM 416 C ILE A 920 20.441 -22.584 0.885 1.00 23.12 C ATOM 417 O ILE A 920 20.974 -21.476 0.901 1.00 1.33 O ATOM 418 CB ILE A 920 17.971 -22.744 0.223 1.00 5.30 C ATOM 419 CG1 ILE A 920 16.562 -23.011 0.754 1.00 55.31 C ATOM 420 CG2 ILE A 920 18.363 -23.726 -0.882 1.00 65.33 C ATOM 421 CD1 ILE A 920 16.195 -24.490 0.617 1.00 3.14 C ATOM 0 H ILE A 920 18.971 -20.789 2.075 1.00 45.44 H new ATOM 0 HA ILE A 920 18.927 -23.748 1.810 1.00 72.34 H new ATOM 0 HB ILE A 920 17.965 -21.748 -0.219 1.00 5.30 H new ATOM 0 HG12 ILE A 920 16.502 -22.713 1.801 1.00 55.31 H new ATOM 0 HG13 ILE A 920 15.842 -22.402 0.207 1.00 55.31 H new ATOM 0 HG21 ILE A 920 17.617 -23.696 -1.677 1.00 65.33 H new ATOM 0 HG22 ILE A 920 19.336 -23.448 -1.287 1.00 65.33 H new ATOM 0 HG23 ILE A 920 18.415 -24.734 -0.471 1.00 65.33 H new ATOM 0 HD11 ILE A 920 15.188 -24.652 1.002 1.00 3.14 H new ATOM 0 HD12 ILE A 920 16.233 -24.778 -0.433 1.00 3.14 H new ATOM 0 HD13 ILE A 920 16.902 -25.095 1.185 1.00 3.14 H new ATOM 433 N HIS A 921 21.034 -23.696 0.475 1.00 51.22 N ATOM 434 CA HIS A 921 22.406 -23.680 -0.002 1.00 43.03 C ATOM 435 C HIS A 921 22.449 -24.148 -1.458 1.00 71.42 C ATOM 436 O HIS A 921 21.550 -24.854 -1.914 1.00 2.03 O ATOM 437 CB HIS A 921 23.309 -24.508 0.914 1.00 64.33 C ATOM 438 CG HIS A 921 23.746 -23.783 2.164 1.00 22.23 C ATOM 439 ND1 HIS A 921 23.594 -24.317 3.432 1.00 25.21 N ATOM 440 CD2 HIS A 921 24.332 -22.562 2.328 1.00 21.42 C ATOM 441 CE1 HIS A 921 24.070 -23.448 4.312 1.00 40.03 C ATOM 442 NE2 HIS A 921 24.526 -22.361 3.626 1.00 42.14 N ATOM 0 H HIS A 921 20.589 -24.614 0.463 1.00 51.22 H new ATOM 0 HA HIS A 921 22.793 -22.661 0.027 1.00 43.03 H new ATOM 0 HB2 HIS A 921 22.782 -25.419 1.200 1.00 64.33 H new ATOM 0 HB3 HIS A 921 24.194 -24.813 0.355 1.00 64.33 H new ATOM 0 HD2 HIS A 921 24.594 -21.875 1.536 1.00 21.42 H new ATOM 0 HE1 HIS A 921 24.093 -23.578 5.384 1.00 40.03 H new ATOM 0 HE2 HIS A 921 24.947 -21.530 4.042 1.00 42.14 H new ATOM 450 N VAL A 922 23.503 -23.737 -2.148 1.00 55.20 N ATOM 451 CA VAL A 922 23.674 -24.105 -3.543 1.00 63.40 C ATOM 452 C VAL A 922 24.956 -24.927 -3.695 1.00 2.41 C ATOM 453 O VAL A 922 25.885 -24.787 -2.900 1.00 72.23 O ATOM 454 CB VAL A 922 23.659 -22.852 -4.421 1.00 24.40 C ATOM 455 CG1 VAL A 922 24.413 -23.092 -5.731 1.00 15.10 C ATOM 456 CG2 VAL A 922 22.226 -22.388 -4.689 1.00 45.11 C ATOM 0 H VAL A 922 24.247 -23.153 -1.767 1.00 55.20 H new ATOM 0 HA VAL A 922 22.846 -24.729 -3.878 1.00 63.40 H new ATOM 0 HB VAL A 922 24.172 -22.057 -3.880 1.00 24.40 H new ATOM 0 HG11 VAL A 922 24.387 -22.186 -6.337 1.00 15.10 H new ATOM 0 HG12 VAL A 922 25.448 -23.353 -5.512 1.00 15.10 H new ATOM 0 HG13 VAL A 922 23.941 -23.908 -6.278 1.00 15.10 H new ATOM 0 HG21 VAL A 922 22.243 -21.496 -5.315 1.00 45.11 H new ATOM 0 HG22 VAL A 922 21.677 -23.179 -5.200 1.00 45.11 H new ATOM 0 HG23 VAL A 922 21.735 -22.158 -3.743 1.00 45.11 H new ATOM 573 N VAL A 929 20.587 -28.219 -3.124 1.00 10.11 N ATOM 574 CA VAL A 929 20.459 -29.081 -1.961 1.00 63.35 C ATOM 575 C VAL A 929 19.982 -28.253 -0.767 1.00 52.22 C ATOM 576 O VAL A 929 20.508 -27.172 -0.506 1.00 65.33 O ATOM 577 CB VAL A 929 21.782 -29.803 -1.698 1.00 23.14 C ATOM 578 CG1 VAL A 929 21.977 -30.966 -2.673 1.00 15.21 C ATOM 579 CG2 VAL A 929 22.961 -28.829 -1.763 1.00 73.44 C ATOM 0 HA VAL A 929 19.711 -29.854 -2.139 1.00 63.35 H new ATOM 0 HB VAL A 929 21.743 -30.215 -0.690 1.00 23.14 H new ATOM 0 HG11 VAL A 929 22.925 -31.461 -2.463 1.00 15.21 H new ATOM 0 HG12 VAL A 929 21.161 -31.679 -2.556 1.00 15.21 H new ATOM 0 HG13 VAL A 929 21.984 -30.587 -3.695 1.00 15.21 H new ATOM 0 HG21 VAL A 929 23.889 -29.368 -1.572 1.00 73.44 H new ATOM 0 HG22 VAL A 929 23.002 -28.373 -2.752 1.00 73.44 H new ATOM 0 HG23 VAL A 929 22.832 -28.051 -1.010 1.00 73.44 H new ATOM 589 N ASN A 930 18.989 -28.791 -0.073 1.00 44.25 N ATOM 590 CA ASN A 930 18.435 -28.115 1.087 1.00 11.30 C ATOM 591 C ASN A 930 19.069 -28.687 2.356 1.00 2.45 C ATOM 592 O ASN A 930 18.632 -29.719 2.862 1.00 63.52 O ATOM 593 CB ASN A 930 16.922 -28.327 1.177 1.00 4.44 C ATOM 594 CG ASN A 930 16.388 -27.890 2.543 1.00 42.31 C ATOM 595 OD1 ASN A 930 16.745 -28.427 3.579 1.00 54.23 O ATOM 596 ND2 ASN A 930 15.515 -26.888 2.487 1.00 45.31 N ATOM 0 H ASN A 930 18.554 -29.687 -0.292 1.00 44.25 H new ATOM 0 HA ASN A 930 18.645 -27.050 0.989 1.00 11.30 H new ATOM 0 HB2 ASN A 930 16.424 -27.761 0.390 1.00 4.44 H new ATOM 0 HB3 ASN A 930 16.688 -29.378 1.010 1.00 4.44 H new ATOM 0 HD21 ASN A 930 15.101 -26.524 3.345 1.00 45.31 H new ATOM 0 HD22 ASN A 930 15.260 -26.484 1.586 1.00 45.31 H new ATOM 603 N MET A 931 20.089 -27.990 2.835 1.00 25.13 N ATOM 604 CA MET A 931 20.788 -28.416 4.036 1.00 2.21 C ATOM 605 C MET A 931 20.055 -27.944 5.293 1.00 20.15 C ATOM 606 O MET A 931 20.673 -27.409 6.213 1.00 52.03 O ATOM 607 CB MET A 931 22.208 -27.847 4.029 1.00 4.43 C ATOM 608 CG MET A 931 22.880 -28.065 2.672 1.00 22.31 C ATOM 609 SD MET A 931 23.243 -29.798 2.443 1.00 42.12 S ATOM 610 CE MET A 931 24.765 -29.921 3.368 1.00 51.12 C ATOM 0 H MET A 931 20.448 -27.133 2.413 1.00 25.13 H new ATOM 0 HA MET A 931 20.824 -29.505 4.046 1.00 2.21 H new ATOM 0 HB2 MET A 931 22.178 -26.781 4.257 1.00 4.43 H new ATOM 0 HB3 MET A 931 22.798 -28.323 4.812 1.00 4.43 H new ATOM 0 HG2 MET A 931 22.228 -27.713 1.873 1.00 22.31 H new ATOM 0 HG3 MET A 931 23.799 -27.482 2.614 1.00 22.31 H new ATOM 0 HE1 MET A 931 25.599 -30.060 2.680 1.00 51.12 H new ATOM 0 HE2 MET A 931 24.917 -29.007 3.942 1.00 51.12 H new ATOM 0 HE3 MET A 931 24.710 -30.771 4.048 1.00 51.12 H new ATOM 620 N THR A 932 18.748 -28.160 5.293 1.00 12.24 N ATOM 621 CA THR A 932 17.924 -27.764 6.423 1.00 51.52 C ATOM 622 C THR A 932 17.499 -28.992 7.230 1.00 3.21 C ATOM 623 O THR A 932 16.860 -29.898 6.698 1.00 22.24 O ATOM 624 CB THR A 932 16.744 -26.952 5.885 1.00 15.02 C ATOM 625 OG1 THR A 932 17.258 -26.326 4.713 1.00 0.42 O ATOM 626 CG2 THR A 932 16.372 -25.783 6.800 1.00 74.13 C ATOM 0 H THR A 932 18.239 -28.604 4.529 1.00 12.24 H new ATOM 0 HA THR A 932 18.481 -27.135 7.118 1.00 51.52 H new ATOM 0 HB THR A 932 15.880 -27.605 5.762 1.00 15.02 H new ATOM 0 HG1 THR A 932 16.689 -25.565 4.472 1.00 0.42 H new ATOM 0 HG21 THR A 932 15.529 -25.240 6.372 1.00 74.13 H new ATOM 0 HG22 THR A 932 16.096 -26.164 7.783 1.00 74.13 H new ATOM 0 HG23 THR A 932 17.225 -25.111 6.897 1.00 74.13 H new ATOM 634 N PRO A 933 17.882 -28.982 8.535 1.00 14.13 N ATOM 635 CA PRO A 933 17.547 -30.084 9.421 1.00 5.24 C ATOM 636 C PRO A 933 16.070 -30.040 9.818 1.00 63.12 C ATOM 637 O PRO A 933 15.394 -31.068 9.821 1.00 2.45 O ATOM 638 CB PRO A 933 18.486 -29.933 10.608 1.00 73.13 C ATOM 639 CG PRO A 933 18.986 -28.498 10.564 1.00 34.20 C ATOM 640 CD PRO A 933 18.639 -27.925 9.199 1.00 24.34 C ATOM 0 HA PRO A 933 17.676 -31.058 8.948 1.00 5.24 H new ATOM 0 HB2 PRO A 933 17.967 -30.137 11.545 1.00 73.13 H new ATOM 0 HB3 PRO A 933 19.315 -30.638 10.542 1.00 73.13 H new ATOM 0 HG2 PRO A 933 18.523 -27.908 11.355 1.00 34.20 H new ATOM 0 HG3 PRO A 933 20.063 -28.464 10.730 1.00 34.20 H new ATOM 0 HD2 PRO A 933 18.049 -27.013 9.291 1.00 24.34 H new ATOM 0 HD3 PRO A 933 19.537 -27.668 8.637 1.00 24.34 H new ATOM 648 N GLU A 934 15.613 -28.840 10.142 1.00 51.41 N ATOM 649 CA GLU A 934 14.228 -28.648 10.539 1.00 63.41 C ATOM 650 C GLU A 934 13.288 -29.079 9.411 1.00 44.42 C ATOM 651 O GLU A 934 12.163 -29.505 9.664 1.00 12.24 O ATOM 652 CB GLU A 934 13.970 -27.196 10.944 1.00 14.01 C ATOM 653 CG GLU A 934 14.005 -26.272 9.725 1.00 4.12 C ATOM 654 CD GLU A 934 14.140 -24.808 10.150 1.00 35.35 C ATOM 655 OE1 GLU A 934 13.124 -24.128 10.360 1.00 21.22 O ATOM 656 OE2 GLU A 934 15.352 -24.382 10.262 1.00 11.04 O ATOM 0 H GLU A 934 16.177 -27.990 10.138 1.00 51.41 H new ATOM 0 HA GLU A 934 14.030 -29.273 11.409 1.00 63.41 H new ATOM 0 HB2 GLU A 934 13.000 -27.119 11.436 1.00 14.01 H new ATOM 0 HB3 GLU A 934 14.720 -26.878 11.668 1.00 14.01 H new ATOM 0 HG2 GLU A 934 14.840 -26.546 9.081 1.00 4.12 H new ATOM 0 HG3 GLU A 934 13.095 -26.402 9.139 1.00 4.12 H new ATOM 664 N PHE A 935 13.785 -28.952 8.189 1.00 3.01 N ATOM 665 CA PHE A 935 13.004 -29.322 7.021 1.00 31.33 C ATOM 666 C PHE A 935 12.751 -30.831 6.987 1.00 53.21 C ATOM 667 O PHE A 935 11.814 -31.292 6.336 1.00 65.01 O ATOM 668 CB PHE A 935 13.823 -28.927 5.791 1.00 1.53 C ATOM 669 CG PHE A 935 13.255 -29.451 4.471 1.00 44.44 C ATOM 670 CD1 PHE A 935 12.216 -28.808 3.875 1.00 53.24 C ATOM 671 CD2 PHE A 935 13.791 -30.559 3.893 1.00 74.42 C ATOM 672 CE1 PHE A 935 11.689 -29.294 2.649 1.00 71.21 C ATOM 673 CE2 PHE A 935 13.264 -31.046 2.667 1.00 12.22 C ATOM 674 CZ PHE A 935 12.224 -30.403 2.071 1.00 1.00 C ATOM 0 H PHE A 935 14.719 -28.598 7.983 1.00 3.01 H new ATOM 0 HA PHE A 935 12.038 -28.818 7.045 1.00 31.33 H new ATOM 0 HB2 PHE A 935 13.885 -27.840 5.742 1.00 1.53 H new ATOM 0 HB3 PHE A 935 14.841 -29.299 5.910 1.00 1.53 H new ATOM 0 HD1 PHE A 935 11.791 -27.927 4.334 1.00 53.24 H new ATOM 0 HD2 PHE A 935 14.617 -31.069 4.366 1.00 74.42 H new ATOM 0 HE1 PHE A 935 10.864 -28.783 2.176 1.00 71.21 H new ATOM 0 HE2 PHE A 935 13.689 -31.927 2.208 1.00 12.22 H new ATOM 0 HZ PHE A 935 11.823 -30.773 1.139 1.00 1.00 H new ATOM 684 N LYS A 936 13.602 -31.558 7.696 1.00 14.21 N ATOM 685 CA LYS A 936 13.482 -33.005 7.755 1.00 53.31 C ATOM 686 C LYS A 936 12.172 -33.376 8.454 1.00 41.35 C ATOM 687 O LYS A 936 11.723 -34.518 8.373 1.00 24.10 O ATOM 688 CB LYS A 936 14.722 -33.619 8.407 1.00 41.01 C ATOM 689 CG LYS A 936 14.504 -33.833 9.906 1.00 2.12 C ATOM 690 CD LYS A 936 15.740 -34.459 10.556 1.00 1.50 C ATOM 691 CE LYS A 936 16.940 -33.513 10.474 1.00 24.31 C ATOM 692 NZ LYS A 936 18.110 -34.100 11.166 1.00 41.13 N ATOM 0 H LYS A 936 14.378 -31.172 8.235 1.00 14.21 H new ATOM 0 HA LYS A 936 13.438 -33.425 6.750 1.00 53.31 H new ATOM 0 HB2 LYS A 936 14.954 -34.571 7.930 1.00 41.01 H new ATOM 0 HB3 LYS A 936 15.581 -32.966 8.250 1.00 41.01 H new ATOM 0 HG2 LYS A 936 14.281 -32.879 10.384 1.00 2.12 H new ATOM 0 HG3 LYS A 936 13.640 -34.478 10.063 1.00 2.12 H new ATOM 0 HD2 LYS A 936 15.528 -34.693 11.599 1.00 1.50 H new ATOM 0 HD3 LYS A 936 15.979 -35.400 10.060 1.00 1.50 H new ATOM 0 HE2 LYS A 936 17.187 -33.319 9.430 1.00 24.31 H new ATOM 0 HE3 LYS A 936 16.686 -32.554 10.925 1.00 24.31 H new ATOM 0 HZ1 LYS A 936 18.916 -33.446 11.101 1.00 41.13 H new ATOM 0 HZ2 LYS A 936 17.876 -34.263 12.166 1.00 41.13 H new ATOM 0 HZ3 LYS A 936 18.361 -35.004 10.717 1.00 41.13 H new ATOM 705 N GLU A 937 11.596 -32.389 9.123 1.00 13.54 N ATOM 706 CA GLU A 937 10.346 -32.597 9.836 1.00 45.23 C ATOM 707 C GLU A 937 9.186 -31.957 9.071 1.00 42.03 C ATOM 708 O GLU A 937 8.058 -31.924 9.560 1.00 23.14 O ATOM 709 CB GLU A 937 10.431 -32.050 11.262 1.00 53.41 C ATOM 710 CG GLU A 937 11.715 -32.514 11.953 1.00 75.34 C ATOM 711 CD GLU A 937 11.423 -33.631 12.957 1.00 63.20 C ATOM 712 OE1 GLU A 937 10.251 -33.943 13.215 1.00 2.43 O ATOM 713 OE2 GLU A 937 12.467 -34.184 13.476 1.00 42.32 O ATOM 0 H GLU A 937 11.971 -31.443 9.187 1.00 13.54 H new ATOM 0 HA GLU A 937 10.163 -33.669 9.904 1.00 45.23 H new ATOM 0 HB2 GLU A 937 10.399 -30.961 11.240 1.00 53.41 H new ATOM 0 HB3 GLU A 937 9.565 -32.382 11.835 1.00 53.41 H new ATOM 0 HG2 GLU A 937 12.427 -32.867 11.207 1.00 75.34 H new ATOM 0 HG3 GLU A 937 12.181 -31.672 12.465 1.00 75.34 H new ATOM 721 N LEU A 938 9.503 -31.464 7.882 1.00 30.42 N ATOM 722 CA LEU A 938 8.501 -30.827 7.045 1.00 71.42 C ATOM 723 C LEU A 938 8.253 -31.692 5.807 1.00 54.20 C ATOM 724 O LEU A 938 7.280 -31.482 5.084 1.00 32.20 O ATOM 725 CB LEU A 938 8.910 -29.390 6.719 1.00 42.31 C ATOM 726 CG LEU A 938 9.597 -28.616 7.846 1.00 12.12 C ATOM 727 CD1 LEU A 938 10.180 -27.298 7.331 1.00 34.40 C ATOM 728 CD2 LEU A 938 8.643 -28.400 9.023 1.00 40.53 C ATOM 0 H LEU A 938 10.440 -31.493 7.479 1.00 30.42 H new ATOM 0 HA LEU A 938 7.553 -30.751 7.577 1.00 71.42 H new ATOM 0 HB2 LEU A 938 9.579 -29.410 5.859 1.00 42.31 H new ATOM 0 HB3 LEU A 938 8.019 -28.839 6.417 1.00 42.31 H new ATOM 0 HG LEU A 938 10.431 -29.215 8.213 1.00 12.12 H new ATOM 0 HD11 LEU A 938 10.662 -26.768 8.152 1.00 34.40 H new ATOM 0 HD12 LEU A 938 10.914 -27.505 6.552 1.00 34.40 H new ATOM 0 HD13 LEU A 938 9.380 -26.681 6.922 1.00 34.40 H new ATOM 0 HD21 LEU A 938 9.156 -27.848 9.810 1.00 40.53 H new ATOM 0 HD22 LEU A 938 7.775 -27.833 8.688 1.00 40.53 H new ATOM 0 HD23 LEU A 938 8.318 -29.366 9.410 1.00 40.53 H new ATOM 740 N TYR A 939 9.149 -32.645 5.601 1.00 63.22 N ATOM 741 CA TYR A 939 9.040 -33.542 4.463 1.00 73.20 C ATOM 742 C TYR A 939 9.085 -35.004 4.911 1.00 21.41 C ATOM 743 O TYR A 939 9.709 -35.329 5.920 1.00 63.10 O ATOM 744 CB TYR A 939 10.256 -33.254 3.580 1.00 14.22 C ATOM 745 CG TYR A 939 11.465 -34.143 3.877 1.00 74.35 C ATOM 746 CD1 TYR A 939 11.408 -35.496 3.610 1.00 33.35 C ATOM 747 CD2 TYR A 939 12.612 -33.593 4.410 1.00 44.41 C ATOM 748 CE1 TYR A 939 12.546 -36.333 3.889 1.00 33.44 C ATOM 749 CE2 TYR A 939 13.750 -34.430 4.689 1.00 43.32 C ATOM 750 CZ TYR A 939 13.661 -35.759 4.415 1.00 52.22 C ATOM 751 OH TYR A 939 14.736 -36.549 4.678 1.00 34.42 O ATOM 0 H TYR A 939 9.954 -32.816 6.203 1.00 63.22 H new ATOM 0 HA TYR A 939 8.097 -33.384 3.940 1.00 73.20 H new ATOM 0 HB2 TYR A 939 9.972 -33.382 2.535 1.00 14.22 H new ATOM 0 HB3 TYR A 939 10.545 -32.211 3.707 1.00 14.22 H new ATOM 0 HD1 TYR A 939 10.510 -35.927 3.192 1.00 33.35 H new ATOM 0 HD2 TYR A 939 12.657 -32.534 4.618 1.00 44.41 H new ATOM 0 HE1 TYR A 939 12.515 -37.393 3.685 1.00 33.44 H new ATOM 0 HE2 TYR A 939 14.654 -34.012 5.107 1.00 43.32 H new ATOM 0 HH TYR A 939 15.460 -36.003 5.050 1.00 34.42 H new ATOM 761 N ILE A 940 8.415 -35.848 4.139 1.00 3.42 N ATOM 762 CA ILE A 940 8.371 -37.268 4.444 1.00 3.41 C ATOM 763 C ILE A 940 8.813 -38.063 3.214 1.00 51.12 C ATOM 764 O ILE A 940 8.413 -37.752 2.093 1.00 43.21 O ATOM 765 CB ILE A 940 6.988 -37.661 4.967 1.00 40.24 C ATOM 766 CG1 ILE A 940 6.328 -36.494 5.703 1.00 1.54 C ATOM 767 CG2 ILE A 940 7.067 -38.917 5.837 1.00 44.31 C ATOM 768 CD1 ILE A 940 4.958 -36.896 6.252 1.00 32.03 C ATOM 0 H ILE A 940 7.898 -35.575 3.303 1.00 3.42 H new ATOM 0 HA ILE A 940 9.069 -37.508 5.246 1.00 3.41 H new ATOM 0 HB ILE A 940 6.355 -37.901 4.112 1.00 40.24 H new ATOM 0 HG12 ILE A 940 6.969 -36.166 6.521 1.00 1.54 H new ATOM 0 HG13 ILE A 940 6.218 -35.648 5.025 1.00 1.54 H new ATOM 0 HG21 ILE A 940 6.070 -39.174 6.196 1.00 44.31 H new ATOM 0 HG22 ILE A 940 7.465 -39.743 5.248 1.00 44.31 H new ATOM 0 HG23 ILE A 940 7.722 -38.730 6.688 1.00 44.31 H new ATOM 0 HD11 ILE A 940 4.511 -36.048 6.771 1.00 32.03 H new ATOM 0 HD12 ILE A 940 4.311 -37.200 5.429 1.00 32.03 H new ATOM 0 HD13 ILE A 940 5.074 -37.727 6.948 1.00 32.03 H new ATOM 780 N VAL A 941 9.631 -39.074 3.465 1.00 63.01 N ATOM 781 CA VAL A 941 10.132 -39.916 2.392 1.00 75.24 C ATOM 782 C VAL A 941 9.328 -41.218 2.354 1.00 53.55 C ATOM 783 O VAL A 941 9.078 -41.828 3.392 1.00 52.41 O ATOM 784 CB VAL A 941 11.634 -40.147 2.564 1.00 2.33 C ATOM 785 CG1 VAL A 941 12.049 -41.505 1.996 1.00 45.14 C ATOM 786 CG2 VAL A 941 12.440 -39.014 1.924 1.00 74.52 C ATOM 0 H VAL A 941 9.960 -39.329 4.396 1.00 63.01 H new ATOM 0 HA VAL A 941 10.001 -39.424 1.428 1.00 75.24 H new ATOM 0 HB VAL A 941 11.852 -40.151 3.632 1.00 2.33 H new ATOM 0 HG11 VAL A 941 13.122 -41.644 2.131 1.00 45.14 H new ATOM 0 HG12 VAL A 941 11.512 -42.297 2.518 1.00 45.14 H new ATOM 0 HG13 VAL A 941 11.809 -41.543 0.933 1.00 45.14 H new ATOM 0 HG21 VAL A 941 13.505 -39.203 2.061 1.00 74.52 H new ATOM 0 HG22 VAL A 941 12.214 -38.963 0.859 1.00 74.52 H new ATOM 0 HG23 VAL A 941 12.176 -38.068 2.396 1.00 74.52 H new ATOM 796 N ARG A 942 8.945 -41.604 1.145 1.00 30.04 N ATOM 797 CA ARG A 942 8.175 -42.822 0.958 1.00 15.33 C ATOM 798 C ARG A 942 9.039 -43.901 0.303 1.00 35.10 C ATOM 799 O ARG A 942 9.852 -43.604 -0.571 1.00 34.51 O ATOM 800 CB ARG A 942 6.943 -42.566 0.088 1.00 52.24 C ATOM 801 CG ARG A 942 5.697 -42.350 0.950 1.00 43.24 C ATOM 802 CD ARG A 942 5.882 -41.158 1.891 1.00 52.53 C ATOM 803 NE ARG A 942 4.928 -41.250 3.018 1.00 35.20 N ATOM 804 CZ ARG A 942 3.592 -41.097 2.894 1.00 60.13 C ATOM 805 NH1 ARG A 942 3.041 -40.842 1.688 1.00 31.10 N ATOM 806 NH2 ARG A 942 2.833 -41.200 3.969 1.00 61.32 N ATOM 0 H ARG A 942 9.154 -41.095 0.286 1.00 30.04 H new ATOM 0 HA ARG A 942 7.847 -43.162 1.941 1.00 15.33 H new ATOM 0 HB2 ARG A 942 7.112 -41.690 -0.539 1.00 52.24 H new ATOM 0 HB3 ARG A 942 6.784 -43.411 -0.581 1.00 52.24 H new ATOM 0 HG2 ARG A 942 4.832 -42.181 0.309 1.00 43.24 H new ATOM 0 HG3 ARG A 942 5.492 -43.249 1.532 1.00 43.24 H new ATOM 0 HD2 ARG A 942 6.904 -41.138 2.270 1.00 52.53 H new ATOM 0 HD3 ARG A 942 5.726 -40.227 1.347 1.00 52.53 H new ATOM 0 HE ARG A 942 5.303 -41.441 3.947 1.00 35.20 H new ATOM 0 HH11 ARG A 942 3.635 -40.764 0.862 1.00 31.10 H new ATOM 0 HH12 ARG A 942 2.031 -40.728 1.603 1.00 31.10 H new ATOM 0 HH21 ARG A 942 3.257 -41.392 4.876 1.00 61.32 H new ATOM 0 HH22 ARG A 942 1.822 -41.087 3.892 1.00 61.32 H new ATOM 819 N GLU A 943 8.833 -45.131 0.750 1.00 32.14 N ATOM 820 CA GLU A 943 9.583 -46.256 0.218 1.00 31.24 C ATOM 821 C GLU A 943 9.221 -46.488 -1.250 1.00 64.31 C ATOM 822 O GLU A 943 8.149 -47.009 -1.554 1.00 42.23 O ATOM 823 CB GLU A 943 9.341 -47.518 1.049 1.00 71.23 C ATOM 824 CG GLU A 943 10.418 -48.570 0.774 1.00 13.01 C ATOM 825 CD GLU A 943 9.909 -49.975 1.104 1.00 53.32 C ATOM 826 OE1 GLU A 943 10.715 -50.894 1.308 1.00 62.33 O ATOM 827 OE2 GLU A 943 8.625 -50.093 1.146 1.00 71.51 O ATOM 0 H GLU A 943 8.157 -45.373 1.475 1.00 32.14 H new ATOM 0 HA GLU A 943 10.646 -46.020 0.277 1.00 31.24 H new ATOM 0 HB2 GLU A 943 9.337 -47.265 2.109 1.00 71.23 H new ATOM 0 HB3 GLU A 943 8.359 -47.929 0.816 1.00 71.23 H new ATOM 0 HG2 GLU A 943 10.717 -48.524 -0.273 1.00 13.01 H new ATOM 0 HG3 GLU A 943 11.305 -48.352 1.369 1.00 13.01 H new ATOM 835 N ASN A 944 10.137 -46.091 -2.122 1.00 14.13 N ATOM 836 CA ASN A 944 9.928 -46.249 -3.551 1.00 33.11 C ATOM 837 C ASN A 944 11.284 -46.306 -4.257 1.00 12.20 C ATOM 838 O ASN A 944 12.149 -45.465 -4.016 1.00 73.12 O ATOM 839 CB ASN A 944 9.144 -45.068 -4.127 1.00 32.30 C ATOM 840 CG ASN A 944 9.241 -45.038 -5.654 1.00 34.44 C ATOM 841 OD1 ASN A 944 8.457 -45.648 -6.363 1.00 42.43 O ATOM 842 ND2 ASN A 944 10.243 -44.298 -6.118 1.00 11.44 N ATOM 0 H ASN A 944 11.025 -45.660 -1.866 1.00 14.13 H new ATOM 0 HA ASN A 944 9.364 -47.168 -3.710 1.00 33.11 H new ATOM 0 HB2 ASN A 944 8.099 -45.140 -3.827 1.00 32.30 H new ATOM 0 HB3 ASN A 944 9.530 -44.135 -3.716 1.00 32.30 H new ATOM 0 HD21 ASN A 944 10.392 -44.215 -7.124 1.00 11.44 H new ATOM 0 HD22 ASN A 944 10.862 -43.813 -5.468 1.00 11.44 H new ATOM 849 N LYS A 945 11.427 -47.305 -5.115 1.00 21.43 N ATOM 850 CA LYS A 945 12.663 -47.483 -5.857 1.00 43.25 C ATOM 851 C LYS A 945 12.517 -46.848 -7.242 1.00 31.30 C ATOM 852 O LYS A 945 13.491 -46.739 -7.985 1.00 2.02 O ATOM 853 CB LYS A 945 13.057 -48.961 -5.897 1.00 4.32 C ATOM 854 CG LYS A 945 11.897 -49.824 -6.395 1.00 70.44 C ATOM 855 CD LYS A 945 12.403 -51.165 -6.933 1.00 14.23 C ATOM 856 CE LYS A 945 11.241 -52.131 -7.177 1.00 44.54 C ATOM 857 NZ LYS A 945 10.343 -51.605 -8.230 1.00 23.10 N ATOM 0 H LYS A 945 10.707 -48.000 -5.313 1.00 21.43 H new ATOM 0 HA LYS A 945 13.485 -46.972 -5.356 1.00 43.25 H new ATOM 0 HB2 LYS A 945 13.920 -49.093 -6.550 1.00 4.32 H new ATOM 0 HB3 LYS A 945 13.357 -49.288 -4.902 1.00 4.32 H new ATOM 0 HG2 LYS A 945 11.192 -49.997 -5.582 1.00 70.44 H new ATOM 0 HG3 LYS A 945 11.355 -49.295 -7.179 1.00 70.44 H new ATOM 0 HD2 LYS A 945 12.949 -51.005 -7.863 1.00 14.23 H new ATOM 0 HD3 LYS A 945 13.104 -51.605 -6.223 1.00 14.23 H new ATOM 0 HE2 LYS A 945 11.627 -53.106 -7.474 1.00 44.54 H new ATOM 0 HE3 LYS A 945 10.681 -52.277 -6.253 1.00 44.54 H new ATOM 0 HZ1 LYS A 945 9.639 -52.329 -8.479 1.00 23.10 H new ATOM 0 HZ2 LYS A 945 9.857 -50.756 -7.879 1.00 23.10 H new ATOM 0 HZ3 LYS A 945 10.902 -51.361 -9.072 1.00 23.10 H new ATOM 870 N ALA A 946 11.292 -46.447 -7.547 1.00 52.41 N ATOM 871 CA ALA A 946 11.005 -45.826 -8.829 1.00 43.12 C ATOM 872 C ALA A 946 11.800 -44.524 -8.950 1.00 24.32 C ATOM 873 O ALA A 946 11.916 -43.962 -10.038 1.00 2.14 O ATOM 874 CB ALA A 946 9.498 -45.603 -8.963 1.00 14.40 C ATOM 0 H ALA A 946 10.486 -46.540 -6.928 1.00 52.41 H new ATOM 0 HA ALA A 946 11.312 -46.477 -9.647 1.00 43.12 H new ATOM 0 HB1 ALA A 946 9.283 -45.137 -9.925 1.00 14.40 H new ATOM 0 HB2 ALA A 946 8.981 -46.561 -8.900 1.00 14.40 H new ATOM 0 HB3 ALA A 946 9.154 -44.952 -8.160 1.00 14.40 H new ATOM 880 N LEU A 947 12.328 -44.083 -7.817 1.00 73.32 N ATOM 881 CA LEU A 947 13.109 -42.858 -7.782 1.00 74.42 C ATOM 882 C LEU A 947 14.594 -43.209 -7.680 1.00 4.35 C ATOM 883 O LEU A 947 15.325 -43.123 -8.665 1.00 65.40 O ATOM 884 CB LEU A 947 12.615 -41.940 -6.663 1.00 15.12 C ATOM 885 CG LEU A 947 11.522 -40.940 -7.048 1.00 65.05 C ATOM 886 CD1 LEU A 947 11.866 -40.232 -8.361 1.00 32.24 C ATOM 887 CD2 LEU A 947 10.153 -41.619 -7.105 1.00 34.11 C ATOM 0 H LEU A 947 12.230 -44.552 -6.917 1.00 73.32 H new ATOM 0 HA LEU A 947 12.977 -42.295 -8.706 1.00 74.42 H new ATOM 0 HB2 LEU A 947 12.241 -42.561 -5.849 1.00 15.12 H new ATOM 0 HB3 LEU A 947 13.468 -41.384 -6.273 1.00 15.12 H new ATOM 0 HG LEU A 947 11.470 -40.175 -6.273 1.00 65.05 H new ATOM 0 HD11 LEU A 947 11.074 -39.527 -8.613 1.00 32.24 H new ATOM 0 HD12 LEU A 947 12.808 -39.695 -8.249 1.00 32.24 H new ATOM 0 HD13 LEU A 947 11.962 -40.970 -9.158 1.00 32.24 H new ATOM 0 HD21 LEU A 947 9.395 -40.886 -7.381 1.00 34.11 H new ATOM 0 HD22 LEU A 947 10.173 -42.417 -7.847 1.00 34.11 H new ATOM 0 HD23 LEU A 947 9.914 -42.038 -6.128 1.00 34.11 H new ATOM 899 N GLN A 948 14.997 -43.595 -6.478 1.00 32.51 N ATOM 900 CA GLN A 948 16.382 -43.959 -6.234 1.00 23.03 C ATOM 901 C GLN A 948 16.801 -45.106 -7.156 1.00 35.12 C ATOM 902 O GLN A 948 15.952 -45.807 -7.705 1.00 13.21 O ATOM 903 CB GLN A 948 16.602 -44.328 -4.765 1.00 75.22 C ATOM 904 CG GLN A 948 16.426 -45.832 -4.546 1.00 33.22 C ATOM 905 CD GLN A 948 17.654 -46.604 -5.031 1.00 22.41 C ATOM 906 OE1 GLN A 948 17.562 -47.559 -5.786 1.00 14.54 O ATOM 907 NE2 GLN A 948 18.807 -46.140 -4.557 1.00 31.11 N ATOM 0 H GLN A 948 14.388 -43.663 -5.663 1.00 32.51 H new ATOM 0 HA GLN A 948 17.008 -43.094 -6.455 1.00 23.03 H new ATOM 0 HB2 GLN A 948 17.603 -44.026 -4.456 1.00 75.22 H new ATOM 0 HB3 GLN A 948 15.897 -43.781 -4.139 1.00 75.22 H new ATOM 0 HG2 GLN A 948 16.261 -46.032 -3.487 1.00 33.22 H new ATOM 0 HG3 GLN A 948 15.540 -46.179 -5.078 1.00 33.22 H new ATOM 0 HE21 GLN A 948 18.814 -45.337 -3.929 1.00 31.11 H new ATOM 0 HE22 GLN A 948 19.684 -46.588 -4.822 1.00 31.11 H new ATOM 1013 N GLN A 955 23.307 -42.011 -4.443 1.00 2.31 N ATOM 1014 CA GLN A 955 22.309 -42.880 -3.842 1.00 44.41 C ATOM 1015 C GLN A 955 21.146 -42.052 -3.293 1.00 51.50 C ATOM 1016 O GLN A 955 21.358 -41.085 -2.562 1.00 72.03 O ATOM 1017 CB GLN A 955 22.928 -43.750 -2.746 1.00 43.44 C ATOM 1018 CG GLN A 955 21.844 -44.426 -1.905 1.00 52.02 C ATOM 1019 CD GLN A 955 21.092 -45.478 -2.723 1.00 52.33 C ATOM 1020 OE1 GLN A 955 21.511 -45.886 -3.794 1.00 4.51 O ATOM 1021 NE2 GLN A 955 19.960 -45.893 -2.161 1.00 41.32 N ATOM 0 HA GLN A 955 21.923 -43.546 -4.614 1.00 44.41 H new ATOM 0 HB2 GLN A 955 23.569 -44.508 -3.197 1.00 43.44 H new ATOM 0 HB3 GLN A 955 23.562 -43.137 -2.105 1.00 43.44 H new ATOM 0 HG2 GLN A 955 22.296 -44.895 -1.031 1.00 52.02 H new ATOM 0 HG3 GLN A 955 21.143 -43.676 -1.538 1.00 52.02 H new ATOM 0 HE21 GLN A 955 19.667 -45.510 -1.262 1.00 41.32 H new ATOM 0 HE22 GLN A 955 19.385 -46.594 -2.629 1.00 41.32 H new ATOM 1030 N ILE A 956 19.942 -42.461 -3.666 1.00 43.31 N ATOM 1031 CA ILE A 956 18.745 -41.769 -3.220 1.00 50.40 C ATOM 1032 C ILE A 956 17.962 -42.675 -2.268 1.00 70.11 C ATOM 1033 O ILE A 956 18.104 -43.896 -2.310 1.00 61.15 O ATOM 1034 CB ILE A 956 17.928 -41.284 -4.419 1.00 72.35 C ATOM 1035 CG1 ILE A 956 18.833 -40.999 -5.620 1.00 15.21 C ATOM 1036 CG2 ILE A 956 17.071 -40.073 -4.046 1.00 44.31 C ATOM 1037 CD1 ILE A 956 19.628 -39.708 -5.412 1.00 72.34 C ATOM 0 H ILE A 956 19.770 -43.263 -4.272 1.00 43.31 H new ATOM 0 HA ILE A 956 19.010 -40.872 -2.661 1.00 50.40 H new ATOM 0 HB ILE A 956 17.246 -42.082 -4.712 1.00 72.35 H new ATOM 0 HG12 ILE A 956 19.519 -41.833 -5.769 1.00 15.21 H new ATOM 0 HG13 ILE A 956 18.229 -40.917 -6.524 1.00 15.21 H new ATOM 0 HG21 ILE A 956 16.501 -39.749 -4.917 1.00 44.31 H new ATOM 0 HG22 ILE A 956 16.385 -40.346 -3.244 1.00 44.31 H new ATOM 0 HG23 ILE A 956 17.716 -39.260 -3.711 1.00 44.31 H new ATOM 0 HD11 ILE A 956 20.263 -39.528 -6.279 1.00 72.34 H new ATOM 0 HD12 ILE A 956 18.939 -38.873 -5.287 1.00 72.34 H new ATOM 0 HD13 ILE A 956 20.249 -39.803 -4.521 1.00 72.34 H new ATOM 1049 N ASN A 957 17.152 -42.042 -1.432 1.00 24.44 N ATOM 1050 CA ASN A 957 16.347 -42.777 -0.471 1.00 13.42 C ATOM 1051 C ASN A 957 14.949 -43.001 -1.050 1.00 74.42 C ATOM 1052 O ASN A 957 14.279 -43.974 -0.706 1.00 21.02 O ATOM 1053 CB ASN A 957 16.197 -41.993 0.835 1.00 70.41 C ATOM 1054 CG ASN A 957 17.328 -42.330 1.809 1.00 51.11 C ATOM 1055 OD1 ASN A 957 17.149 -42.379 3.015 1.00 63.42 O ATOM 1056 ND2 ASN A 957 18.499 -42.558 1.221 1.00 54.24 N ATOM 0 H ASN A 957 17.036 -41.029 -1.400 1.00 24.44 H new ATOM 0 HA ASN A 957 16.845 -43.725 -0.268 1.00 13.42 H new ATOM 0 HB2 ASN A 957 16.200 -40.924 0.624 1.00 70.41 H new ATOM 0 HB3 ASN A 957 15.236 -42.224 1.294 1.00 70.41 H new ATOM 0 HD21 ASN A 957 19.316 -42.790 1.785 1.00 54.24 H new ATOM 0 HD22 ASN A 957 18.580 -42.501 0.206 1.00 54.24 H new ATOM 1063 N GLY A 958 14.549 -42.086 -1.920 1.00 42.53 N ATOM 1064 CA GLY A 958 13.243 -42.172 -2.551 1.00 11.42 C ATOM 1065 C GLY A 958 12.782 -40.799 -3.047 1.00 31.44 C ATOM 1066 O GLY A 958 13.571 -40.041 -3.608 1.00 71.12 O ATOM 0 H GLY A 958 15.107 -41.280 -2.203 1.00 42.53 H new ATOM 0 HA2 GLY A 958 13.285 -42.870 -3.387 1.00 11.42 H new ATOM 0 HA3 GLY A 958 12.517 -42.569 -1.841 1.00 11.42 H new ATOM 1070 N GLU A 959 11.506 -40.522 -2.821 1.00 21.21 N ATOM 1071 CA GLU A 959 10.931 -39.255 -3.238 1.00 14.33 C ATOM 1072 C GLU A 959 10.343 -38.517 -2.033 1.00 2.20 C ATOM 1073 O GLU A 959 9.473 -39.044 -1.342 1.00 11.23 O ATOM 1074 CB GLU A 959 9.872 -39.463 -4.322 1.00 60.43 C ATOM 1075 CG GLU A 959 9.855 -38.291 -5.305 1.00 43.20 C ATOM 1076 CD GLU A 959 8.570 -38.290 -6.136 1.00 24.12 C ATOM 1077 OE1 GLU A 959 8.633 -38.278 -7.374 1.00 51.32 O ATOM 1078 OE2 GLU A 959 7.478 -38.304 -5.450 1.00 72.11 O ATOM 0 H GLU A 959 10.855 -41.153 -2.355 1.00 21.21 H new ATOM 0 HA GLU A 959 11.725 -38.642 -3.664 1.00 14.33 H new ATOM 0 HB2 GLU A 959 10.074 -40.390 -4.859 1.00 60.43 H new ATOM 0 HB3 GLU A 959 8.890 -39.569 -3.860 1.00 60.43 H new ATOM 0 HG2 GLU A 959 9.939 -37.352 -4.758 1.00 43.20 H new ATOM 0 HG3 GLU A 959 10.720 -38.354 -5.966 1.00 43.20 H new ATOM 1086 N ILE A 960 10.843 -37.309 -1.818 1.00 54.43 N ATOM 1087 CA ILE A 960 10.378 -36.493 -0.709 1.00 41.01 C ATOM 1088 C ILE A 960 9.035 -35.858 -1.076 1.00 23.02 C ATOM 1089 O ILE A 960 8.861 -35.365 -2.189 1.00 70.44 O ATOM 1090 CB ILE A 960 11.449 -35.477 -0.306 1.00 31.33 C ATOM 1091 CG1 ILE A 960 11.984 -34.730 -1.529 1.00 1.23 C ATOM 1092 CG2 ILE A 960 12.569 -36.149 0.491 1.00 1.12 C ATOM 1093 CD1 ILE A 960 12.512 -33.348 -1.139 1.00 0.31 C ATOM 0 H ILE A 960 11.566 -36.876 -2.393 1.00 54.43 H new ATOM 0 HA ILE A 960 10.208 -37.110 0.173 1.00 41.01 H new ATOM 0 HB ILE A 960 10.989 -34.736 0.347 1.00 31.33 H new ATOM 0 HG12 ILE A 960 12.781 -35.310 -1.994 1.00 1.23 H new ATOM 0 HG13 ILE A 960 11.192 -34.625 -2.271 1.00 1.23 H new ATOM 0 HG21 ILE A 960 13.317 -35.405 0.765 1.00 1.12 H new ATOM 0 HG22 ILE A 960 12.155 -36.597 1.394 1.00 1.12 H new ATOM 0 HG23 ILE A 960 13.034 -36.924 -0.118 1.00 1.12 H new ATOM 0 HD11 ILE A 960 12.886 -32.838 -2.026 1.00 0.31 H new ATOM 0 HD12 ILE A 960 11.706 -32.762 -0.697 1.00 0.31 H new ATOM 0 HD13 ILE A 960 13.320 -33.458 -0.416 1.00 0.31 H new ATOM 1105 N ILE A 961 8.120 -35.890 -0.118 1.00 25.20 N ATOM 1106 CA ILE A 961 6.799 -35.324 -0.326 1.00 54.02 C ATOM 1107 C ILE A 961 6.373 -34.558 0.928 1.00 20.53 C ATOM 1108 O ILE A 961 6.688 -34.966 2.045 1.00 30.13 O ATOM 1109 CB ILE A 961 5.810 -36.413 -0.747 1.00 54.23 C ATOM 1110 CG1 ILE A 961 5.795 -37.561 0.264 1.00 62.24 C ATOM 1111 CG2 ILE A 961 6.105 -36.902 -2.167 1.00 34.23 C ATOM 1112 CD1 ILE A 961 4.732 -38.599 -0.101 1.00 14.04 C ATOM 0 H ILE A 961 8.268 -36.299 0.804 1.00 25.20 H new ATOM 0 HA ILE A 961 6.817 -34.607 -1.147 1.00 54.02 H new ATOM 0 HB ILE A 961 4.809 -35.981 -0.757 1.00 54.23 H new ATOM 0 HG12 ILE A 961 6.776 -38.035 0.296 1.00 62.24 H new ATOM 0 HG13 ILE A 961 5.598 -37.169 1.262 1.00 62.24 H new ATOM 0 HG21 ILE A 961 5.388 -37.676 -2.442 1.00 34.23 H new ATOM 0 HG22 ILE A 961 6.023 -36.068 -2.864 1.00 34.23 H new ATOM 0 HG23 ILE A 961 7.114 -37.312 -2.208 1.00 34.23 H new ATOM 0 HD11 ILE A 961 4.742 -39.404 0.634 1.00 14.04 H new ATOM 0 HD12 ILE A 961 3.750 -38.127 -0.108 1.00 14.04 H new ATOM 0 HD13 ILE A 961 4.946 -39.007 -1.089 1.00 14.04 H new ATOM 1124 N CYS A 962 5.664 -33.463 0.702 1.00 52.42 N ATOM 1125 CA CYS A 962 5.192 -32.636 1.800 1.00 72.31 C ATOM 1126 C CYS A 962 4.231 -33.470 2.650 1.00 60.00 C ATOM 1127 O CYS A 962 4.058 -34.663 2.407 1.00 20.44 O ATOM 1128 CB CYS A 962 4.538 -31.348 1.298 1.00 52.54 C ATOM 1129 SG CYS A 962 2.747 -31.482 0.945 1.00 22.43 S ATOM 0 H CYS A 962 5.404 -33.128 -0.226 1.00 52.42 H new ATOM 0 HA CYS A 962 6.038 -32.321 2.411 1.00 72.31 H new ATOM 0 HB2 CYS A 962 4.690 -30.566 2.042 1.00 52.54 H new ATOM 0 HB3 CYS A 962 5.050 -31.027 0.391 1.00 52.54 H new ATOM 0 HG CYS A 962 2.340 -30.402 0.347 1.00 22.43 H new ATOM 1134 N LYS A 963 3.631 -32.809 3.629 1.00 43.52 N ATOM 1135 CA LYS A 963 2.692 -33.474 4.516 1.00 4.21 C ATOM 1136 C LYS A 963 1.537 -34.046 3.693 1.00 61.35 C ATOM 1137 O LYS A 963 1.206 -35.225 3.816 1.00 45.44 O ATOM 1138 CB LYS A 963 2.243 -32.525 5.629 1.00 22.23 C ATOM 1139 CG LYS A 963 3.426 -31.726 6.179 1.00 43.40 C ATOM 1140 CD LYS A 963 4.640 -32.629 6.405 1.00 5.34 C ATOM 1141 CE LYS A 963 4.432 -33.533 7.622 1.00 50.03 C ATOM 1142 NZ LYS A 963 3.352 -34.511 7.361 1.00 11.25 N ATOM 0 H LYS A 963 3.777 -31.819 3.827 1.00 43.52 H new ATOM 0 HA LYS A 963 3.172 -34.314 5.019 1.00 4.21 H new ATOM 0 HB2 LYS A 963 1.485 -31.842 5.246 1.00 22.23 H new ATOM 0 HB3 LYS A 963 1.780 -33.096 6.434 1.00 22.23 H new ATOM 0 HG2 LYS A 963 3.686 -30.929 5.483 1.00 43.40 H new ATOM 0 HG3 LYS A 963 3.143 -31.250 7.118 1.00 43.40 H new ATOM 0 HD2 LYS A 963 4.813 -33.240 5.519 1.00 5.34 H new ATOM 0 HD3 LYS A 963 5.531 -32.018 6.550 1.00 5.34 H new ATOM 0 HE2 LYS A 963 5.358 -34.058 7.855 1.00 50.03 H new ATOM 0 HE3 LYS A 963 4.181 -32.928 8.493 1.00 50.03 H new ATOM 0 HZ1 LYS A 963 3.441 -35.311 8.020 1.00 11.25 H new ATOM 0 HZ2 LYS A 963 2.428 -34.052 7.496 1.00 11.25 H new ATOM 0 HZ3 LYS A 963 3.427 -34.858 6.384 1.00 11.25 H new ATOM 1155 N CYS A 964 0.955 -33.185 2.871 1.00 73.41 N ATOM 1156 CA CYS A 964 -0.157 -33.591 2.027 1.00 3.32 C ATOM 1157 C CYS A 964 0.293 -34.783 1.181 1.00 72.24 C ATOM 1158 O CYS A 964 -0.469 -35.728 0.979 1.00 42.34 O ATOM 1159 CB CYS A 964 -0.661 -32.434 1.162 1.00 71.12 C ATOM 1160 SG CYS A 964 -0.813 -30.833 2.034 1.00 15.32 S ATOM 0 H CYS A 964 1.232 -32.208 2.771 1.00 73.41 H new ATOM 0 HA CYS A 964 -1.001 -33.887 2.649 1.00 3.32 H new ATOM 0 HB2 CYS A 964 0.016 -32.309 0.317 1.00 71.12 H new ATOM 0 HB3 CYS A 964 -1.635 -32.703 0.753 1.00 71.12 H new ATOM 1165 N GLY A 965 1.528 -34.701 0.708 1.00 11.32 N ATOM 1166 CA GLY A 965 2.088 -35.761 -0.112 1.00 32.40 C ATOM 1167 C GLY A 965 2.487 -35.235 -1.492 1.00 54.21 C ATOM 1168 O GLY A 965 2.353 -35.939 -2.491 1.00 64.45 O ATOM 0 H GLY A 965 2.157 -33.916 0.877 1.00 11.32 H new ATOM 0 HA2 GLY A 965 2.960 -36.187 0.384 1.00 32.40 H new ATOM 0 HA3 GLY A 965 1.359 -36.564 -0.222 1.00 32.40 H new ATOM 1172 N GLN A 966 2.968 -34.000 -1.503 1.00 32.42 N ATOM 1173 CA GLN A 966 3.387 -33.371 -2.744 1.00 31.33 C ATOM 1174 C GLN A 966 4.889 -33.566 -2.957 1.00 24.24 C ATOM 1175 O GLN A 966 5.700 -33.084 -2.167 1.00 14.04 O ATOM 1176 CB GLN A 966 3.019 -31.886 -2.757 1.00 24.20 C ATOM 1177 CG GLN A 966 3.662 -31.173 -3.948 1.00 5.21 C ATOM 1178 CD GLN A 966 3.118 -31.715 -5.271 1.00 53.40 C ATOM 1179 OE1 GLN A 966 2.209 -32.528 -5.311 1.00 40.25 O ATOM 1180 NE2 GLN A 966 3.722 -31.220 -6.348 1.00 34.11 N ATOM 0 H GLN A 966 3.077 -33.418 -0.672 1.00 32.42 H new ATOM 0 HA GLN A 966 2.858 -33.850 -3.568 1.00 31.33 H new ATOM 0 HB2 GLN A 966 1.936 -31.776 -2.805 1.00 24.20 H new ATOM 0 HB3 GLN A 966 3.346 -31.418 -1.828 1.00 24.20 H new ATOM 0 HG2 GLN A 966 3.469 -30.102 -3.883 1.00 5.21 H new ATOM 0 HG3 GLN A 966 4.744 -31.304 -3.914 1.00 5.21 H new ATOM 0 HE21 GLN A 966 4.477 -30.542 -6.243 1.00 34.11 H new ATOM 0 HE22 GLN A 966 3.430 -31.518 -7.279 1.00 34.11 H new ATOM 1189 N ALA A 967 5.216 -34.274 -4.028 1.00 41.20 N ATOM 1190 CA ALA A 967 6.607 -34.538 -4.355 1.00 30.42 C ATOM 1191 C ALA A 967 7.390 -33.224 -4.332 1.00 25.40 C ATOM 1192 O ALA A 967 7.382 -32.475 -5.308 1.00 31.44 O ATOM 1193 CB ALA A 967 6.688 -35.242 -5.711 1.00 20.11 C ATOM 0 H ALA A 967 4.541 -34.673 -4.681 1.00 41.20 H new ATOM 0 HA ALA A 967 7.056 -35.202 -3.616 1.00 30.42 H new ATOM 0 HB1 ALA A 967 7.731 -35.440 -5.956 1.00 20.11 H new ATOM 0 HB2 ALA A 967 6.141 -36.184 -5.665 1.00 20.11 H new ATOM 0 HB3 ALA A 967 6.249 -34.604 -6.479 1.00 20.11 H new ATOM 1199 N TRP A 968 8.049 -32.985 -3.208 1.00 2.34 N ATOM 1200 CA TRP A 968 8.836 -31.774 -3.045 1.00 22.21 C ATOM 1201 C TRP A 968 10.083 -31.899 -3.923 1.00 73.04 C ATOM 1202 O TRP A 968 10.623 -30.896 -4.386 1.00 43.23 O ATOM 1203 CB TRP A 968 9.166 -31.528 -1.571 1.00 73.52 C ATOM 1204 CG TRP A 968 8.123 -30.688 -0.832 1.00 54.22 C ATOM 1205 CD1 TRP A 968 7.090 -30.010 -1.352 1.00 71.42 C ATOM 1206 CD2 TRP A 968 8.052 -30.462 0.591 1.00 5.55 C ATOM 1207 NE1 TRP A 968 6.362 -29.367 -0.372 1.00 3.40 N ATOM 1208 CE2 TRP A 968 6.966 -29.650 0.848 1.00 43.25 C ATOM 1209 CE3 TRP A 968 8.880 -30.928 1.629 1.00 55.44 C ATOM 1210 CZ2 TRP A 968 6.607 -29.233 2.135 1.00 44.11 C ATOM 1211 CZ3 TRP A 968 8.507 -30.502 2.909 1.00 4.15 C ATOM 1212 CH2 TRP A 968 7.417 -29.685 3.184 1.00 40.32 C ATOM 0 H TRP A 968 8.054 -33.609 -2.401 1.00 2.34 H new ATOM 0 HA TRP A 968 8.269 -30.900 -3.366 1.00 22.21 H new ATOM 0 HB2 TRP A 968 9.267 -32.489 -1.067 1.00 73.52 H new ATOM 0 HB3 TRP A 968 10.133 -31.029 -1.504 1.00 73.52 H new ATOM 0 HD1 TRP A 968 6.857 -29.972 -2.406 1.00 71.42 H new ATOM 0 HE1 TRP A 968 5.533 -28.790 -0.516 1.00 3.40 H new ATOM 0 HE3 TRP A 968 9.735 -31.564 1.452 1.00 55.44 H new ATOM 0 HZ2 TRP A 968 5.752 -28.597 2.310 1.00 44.11 H new ATOM 0 HZ3 TRP A 968 9.109 -30.832 3.743 1.00 4.15 H new ATOM 0 HH2 TRP A 968 7.196 -29.400 4.202 1.00 40.32 H new ATOM 1223 N GLY A 969 10.503 -33.139 -4.126 1.00 74.15 N ATOM 1224 CA GLY A 969 11.675 -33.408 -4.941 1.00 63.22 C ATOM 1225 C GLY A 969 12.179 -34.836 -4.722 1.00 64.11 C ATOM 1226 O GLY A 969 11.470 -35.799 -5.009 1.00 64.41 O ATOM 0 H GLY A 969 10.052 -33.969 -3.740 1.00 74.15 H new ATOM 0 HA2 GLY A 969 11.432 -33.262 -5.993 1.00 63.22 H new ATOM 0 HA3 GLY A 969 12.465 -32.698 -4.695 1.00 63.22 H new ATOM 1230 N THR A 970 13.400 -34.927 -4.215 1.00 61.43 N ATOM 1231 CA THR A 970 14.007 -36.221 -3.954 1.00 63.54 C ATOM 1232 C THR A 970 15.085 -36.097 -2.876 1.00 21.03 C ATOM 1233 O THR A 970 15.642 -35.019 -2.671 1.00 34.55 O ATOM 1234 CB THR A 970 14.536 -36.772 -5.281 1.00 14.24 C ATOM 1235 OG1 THR A 970 14.899 -35.609 -6.019 1.00 3.40 O ATOM 1236 CG2 THR A 970 13.437 -37.420 -6.125 1.00 34.53 C ATOM 0 H THR A 970 13.985 -34.126 -3.978 1.00 61.43 H new ATOM 0 HA THR A 970 13.277 -36.927 -3.560 1.00 63.54 H new ATOM 0 HB THR A 970 15.321 -37.502 -5.084 1.00 14.24 H new ATOM 0 HG1 THR A 970 15.254 -35.874 -6.893 1.00 3.40 H new ATOM 0 HG21 THR A 970 13.865 -37.794 -7.055 1.00 34.53 H new ATOM 0 HG22 THR A 970 12.993 -38.247 -5.571 1.00 34.53 H new ATOM 0 HG23 THR A 970 12.668 -36.681 -6.351 1.00 34.53 H new ATOM 1244 N MET A 971 15.347 -37.215 -2.215 1.00 2.13 N ATOM 1245 CA MET A 971 16.348 -37.245 -1.162 1.00 44.30 C ATOM 1246 C MET A 971 17.653 -37.868 -1.663 1.00 52.14 C ATOM 1247 O MET A 971 17.788 -39.090 -1.697 1.00 61.03 O ATOM 1248 CB MET A 971 15.819 -38.053 0.024 1.00 72.42 C ATOM 1249 CG MET A 971 16.943 -38.386 1.006 1.00 24.25 C ATOM 1250 SD MET A 971 17.864 -36.910 1.403 1.00 3.52 S ATOM 1251 CE MET A 971 16.528 -35.834 1.898 1.00 20.50 C ATOM 0 H MET A 971 14.883 -38.107 -2.388 1.00 2.13 H new ATOM 0 HA MET A 971 16.552 -36.220 -0.852 1.00 44.30 H new ATOM 0 HB2 MET A 971 15.040 -37.487 0.536 1.00 72.42 H new ATOM 0 HB3 MET A 971 15.360 -38.974 -0.335 1.00 72.42 H new ATOM 0 HG2 MET A 971 16.526 -38.820 1.915 1.00 24.25 H new ATOM 0 HG3 MET A 971 17.607 -39.133 0.572 1.00 24.25 H new ATOM 0 HE1 MET A 971 16.912 -35.058 2.560 1.00 20.50 H new ATOM 0 HE2 MET A 971 16.086 -35.372 1.015 1.00 20.50 H new ATOM 0 HE3 MET A 971 15.769 -36.414 2.422 1.00 20.50 H new ATOM 1261 N MET A 972 18.580 -37.000 -2.040 1.00 53.52 N ATOM 1262 CA MET A 972 19.868 -37.449 -2.538 1.00 65.42 C ATOM 1263 C MET A 972 20.815 -37.785 -1.384 1.00 63.32 C ATOM 1264 O MET A 972 20.779 -37.139 -0.339 1.00 1.35 O ATOM 1265 CB MET A 972 20.491 -36.355 -3.407 1.00 53.51 C ATOM 1266 CG MET A 972 20.082 -36.519 -4.872 1.00 61.14 C ATOM 1267 SD MET A 972 20.195 -34.951 -5.717 1.00 53.14 S ATOM 1268 CE MET A 972 21.956 -34.675 -5.626 1.00 31.21 C ATOM 0 H MET A 972 18.464 -35.987 -2.010 1.00 53.52 H new ATOM 0 HA MET A 972 19.712 -38.350 -3.131 1.00 65.42 H new ATOM 0 HB2 MET A 972 20.177 -35.376 -3.046 1.00 53.51 H new ATOM 0 HB3 MET A 972 21.577 -36.393 -3.323 1.00 53.51 H new ATOM 0 HG2 MET A 972 20.727 -37.251 -5.358 1.00 61.14 H new ATOM 0 HG3 MET A 972 19.063 -36.902 -4.933 1.00 61.14 H new ATOM 0 HE1 MET A 972 22.222 -33.818 -6.244 1.00 31.21 H new ATOM 0 HE2 MET A 972 22.241 -34.479 -4.592 1.00 31.21 H new ATOM 0 HE3 MET A 972 22.482 -35.559 -5.986 1.00 31.21 H new ATOM 1278 N VAL A 973 21.641 -38.796 -1.613 1.00 74.23 N ATOM 1279 CA VAL A 973 22.595 -39.226 -0.606 1.00 4.12 C ATOM 1280 C VAL A 973 23.998 -39.251 -1.217 1.00 30.25 C ATOM 1281 O VAL A 973 24.161 -39.574 -2.392 1.00 42.33 O ATOM 1282 CB VAL A 973 22.172 -40.577 -0.025 1.00 54.44 C ATOM 1283 CG1 VAL A 973 22.842 -40.827 1.327 1.00 13.31 C ATOM 1284 CG2 VAL A 973 20.649 -40.670 0.091 1.00 11.34 C ATOM 0 H VAL A 973 21.669 -39.330 -2.482 1.00 74.23 H new ATOM 0 HA VAL A 973 22.614 -38.522 0.226 1.00 4.12 H new ATOM 0 HB VAL A 973 22.504 -41.356 -0.711 1.00 54.44 H new ATOM 0 HG11 VAL A 973 22.524 -41.794 1.717 1.00 13.31 H new ATOM 0 HG12 VAL A 973 23.925 -40.824 1.202 1.00 13.31 H new ATOM 0 HG13 VAL A 973 22.555 -40.041 2.026 1.00 13.31 H new ATOM 0 HG21 VAL A 973 20.374 -41.640 0.506 1.00 11.34 H new ATOM 0 HG22 VAL A 973 20.285 -39.878 0.746 1.00 11.34 H new ATOM 0 HG23 VAL A 973 20.201 -40.558 -0.897 1.00 11.34 H new ATOM 1294 N HIS A 974 24.975 -38.907 -0.390 1.00 52.13 N ATOM 1295 CA HIS A 974 26.358 -38.886 -0.834 1.00 62.14 C ATOM 1296 C HIS A 974 27.241 -39.578 0.206 1.00 64.55 C ATOM 1297 O HIS A 974 27.617 -38.973 1.208 1.00 23.01 O ATOM 1298 CB HIS A 974 26.810 -37.456 -1.138 1.00 73.22 C ATOM 1299 CG HIS A 974 28.308 -37.268 -1.118 1.00 51.11 C ATOM 1300 ND1 HIS A 974 29.050 -37.282 0.050 1.00 34.22 N ATOM 1301 CD2 HIS A 974 29.194 -37.062 -2.134 1.00 70.25 C ATOM 1302 CE1 HIS A 974 30.323 -37.092 -0.261 1.00 3.33 C ATOM 1303 NE2 HIS A 974 30.411 -36.955 -1.615 1.00 73.11 N ATOM 0 H HIS A 974 24.836 -38.641 0.585 1.00 52.13 H new ATOM 0 HA HIS A 974 26.452 -39.441 -1.767 1.00 62.14 H new ATOM 0 HB2 HIS A 974 26.431 -37.167 -2.118 1.00 73.22 H new ATOM 0 HB3 HIS A 974 26.360 -36.781 -0.410 1.00 73.22 H new ATOM 0 HD1 HIS A 974 28.679 -37.416 0.991 1.00 34.22 H new ATOM 0 HD2 HIS A 974 28.947 -36.997 -3.183 1.00 70.25 H new ATOM 0 HE1 HIS A 974 31.147 -37.052 0.436 1.00 3.33 H new ATOM 1311 N LYS A 975 27.547 -40.838 -0.069 1.00 60.02 N ATOM 1312 CA LYS A 975 28.379 -41.619 0.830 1.00 20.50 C ATOM 1313 C LYS A 975 27.693 -41.721 2.194 1.00 41.41 C ATOM 1314 O LYS A 975 28.343 -42.000 3.200 1.00 31.13 O ATOM 1315 CB LYS A 975 29.792 -41.037 0.894 1.00 24.21 C ATOM 1316 CG LYS A 975 30.216 -40.475 -0.464 1.00 52.34 C ATOM 1317 CD LYS A 975 31.731 -40.574 -0.651 1.00 2.23 C ATOM 1318 CE LYS A 975 32.134 -40.197 -2.078 1.00 10.53 C ATOM 1319 NZ LYS A 975 31.181 -39.216 -2.643 1.00 52.41 N ATOM 0 H LYS A 975 27.233 -41.337 -0.902 1.00 60.02 H new ATOM 0 HA LYS A 975 28.495 -42.636 0.455 1.00 20.50 H new ATOM 0 HB2 LYS A 975 29.831 -40.249 1.646 1.00 24.21 H new ATOM 0 HB3 LYS A 975 30.494 -41.810 1.207 1.00 24.21 H new ATOM 0 HG2 LYS A 975 29.711 -41.021 -1.261 1.00 52.34 H new ATOM 0 HG3 LYS A 975 29.904 -39.434 -0.544 1.00 52.34 H new ATOM 0 HD2 LYS A 975 32.232 -39.915 0.058 1.00 2.23 H new ATOM 0 HD3 LYS A 975 32.062 -41.589 -0.432 1.00 2.23 H new ATOM 0 HE2 LYS A 975 33.140 -39.778 -2.079 1.00 10.53 H new ATOM 0 HE3 LYS A 975 32.160 -41.090 -2.703 1.00 10.53 H new ATOM 0 HZ1 LYS A 975 31.532 -38.881 -3.563 1.00 52.41 H new ATOM 0 HZ2 LYS A 975 30.253 -39.667 -2.770 1.00 52.41 H new ATOM 0 HZ3 LYS A 975 31.088 -38.409 -1.994 1.00 52.41 H new ATOM 1332 N GLY A 976 26.389 -41.488 2.183 1.00 11.44 N ATOM 1333 CA GLY A 976 25.608 -41.549 3.407 1.00 11.02 C ATOM 1334 C GLY A 976 25.171 -40.151 3.849 1.00 12.14 C ATOM 1335 O GLY A 976 24.636 -39.981 4.944 1.00 73.21 O ATOM 0 H GLY A 976 25.854 -41.257 1.346 1.00 11.44 H new ATOM 0 HA2 GLY A 976 24.730 -42.176 3.252 1.00 11.02 H new ATOM 0 HA3 GLY A 976 26.198 -42.016 4.196 1.00 11.02 H new ATOM 1339 N LEU A 977 25.415 -39.185 2.976 1.00 61.43 N ATOM 1340 CA LEU A 977 25.053 -37.808 3.262 1.00 4.43 C ATOM 1341 C LEU A 977 23.557 -37.614 3.007 1.00 3.04 C ATOM 1342 O LEU A 977 22.920 -38.449 2.368 1.00 52.04 O ATOM 1343 CB LEU A 977 25.942 -36.845 2.472 1.00 54.14 C ATOM 1344 CG LEU A 977 25.989 -35.403 2.982 1.00 23.42 C ATOM 1345 CD1 LEU A 977 26.329 -35.361 4.473 1.00 10.13 C ATOM 1346 CD2 LEU A 977 26.956 -34.558 2.150 1.00 72.51 C ATOM 0 H LEU A 977 25.860 -39.329 2.069 1.00 61.43 H new ATOM 0 HA LEU A 977 25.229 -37.579 4.313 1.00 4.43 H new ATOM 0 HB2 LEU A 977 26.958 -37.241 2.467 1.00 54.14 H new ATOM 0 HB3 LEU A 977 25.600 -36.832 1.437 1.00 54.14 H new ATOM 0 HG LEU A 977 24.997 -34.966 2.864 1.00 23.42 H new ATOM 0 HD11 LEU A 977 26.356 -34.325 4.811 1.00 10.13 H new ATOM 0 HD12 LEU A 977 25.570 -35.906 5.035 1.00 10.13 H new ATOM 0 HD13 LEU A 977 27.303 -35.822 4.637 1.00 10.13 H new ATOM 0 HD21 LEU A 977 26.970 -33.538 2.534 1.00 72.51 H new ATOM 0 HD22 LEU A 977 27.958 -34.983 2.213 1.00 72.51 H new ATOM 0 HD23 LEU A 977 26.630 -34.550 1.110 1.00 72.51 H new ATOM 1358 N ASP A 978 23.040 -36.508 3.521 1.00 4.42 N ATOM 1359 CA ASP A 978 21.631 -36.194 3.357 1.00 1.33 C ATOM 1360 C ASP A 978 21.493 -34.832 2.674 1.00 54.13 C ATOM 1361 O ASP A 978 21.737 -33.796 3.290 1.00 22.13 O ATOM 1362 CB ASP A 978 20.923 -36.117 4.711 1.00 32.32 C ATOM 1363 CG ASP A 978 21.485 -35.072 5.677 1.00 30.41 C ATOM 1364 OD1 ASP A 978 22.677 -35.094 6.018 1.00 40.41 O ATOM 1365 OD2 ASP A 978 20.632 -34.197 6.090 1.00 42.11 O ATOM 0 H ASP A 978 23.572 -35.818 4.051 1.00 4.42 H new ATOM 0 HA ASP A 978 21.177 -36.983 2.757 1.00 1.33 H new ATOM 0 HB2 ASP A 978 19.868 -35.902 4.541 1.00 32.32 H new ATOM 0 HB3 ASP A 978 20.976 -37.096 5.188 1.00 32.32 H new ATOM 1371 N LEU A 979 21.101 -34.878 1.409 1.00 53.41 N ATOM 1372 CA LEU A 979 20.927 -33.660 0.635 1.00 74.31 C ATOM 1373 C LEU A 979 19.597 -33.727 -0.120 1.00 4.42 C ATOM 1374 O LEU A 979 19.520 -34.314 -1.198 1.00 1.32 O ATOM 1375 CB LEU A 979 22.137 -33.424 -0.271 1.00 11.42 C ATOM 1376 CG LEU A 979 23.474 -33.961 0.242 1.00 21.55 C ATOM 1377 CD1 LEU A 979 23.718 -35.388 -0.254 1.00 1.11 C ATOM 1378 CD2 LEU A 979 24.622 -33.021 -0.129 1.00 64.10 C ATOM 0 H LEU A 979 20.899 -35.739 0.901 1.00 53.41 H new ATOM 0 HA LEU A 979 20.877 -32.793 1.294 1.00 74.31 H new ATOM 0 HB2 LEU A 979 21.934 -33.878 -1.241 1.00 11.42 H new ATOM 0 HB3 LEU A 979 22.238 -32.351 -0.436 1.00 11.42 H new ATOM 0 HG LEU A 979 23.431 -34.001 1.330 1.00 21.55 H new ATOM 0 HD11 LEU A 979 24.675 -35.746 0.125 1.00 1.11 H new ATOM 0 HD12 LEU A 979 22.920 -36.039 0.103 1.00 1.11 H new ATOM 0 HD13 LEU A 979 23.733 -35.397 -1.344 1.00 1.11 H new ATOM 0 HD21 LEU A 979 25.561 -33.427 0.248 1.00 64.10 H new ATOM 0 HD22 LEU A 979 24.678 -32.925 -1.213 1.00 64.10 H new ATOM 0 HD23 LEU A 979 24.447 -32.040 0.314 1.00 64.10 H new ATOM 1390 N PRO A 980 18.557 -33.100 0.492 1.00 1.03 N ATOM 1391 CA PRO A 980 17.235 -33.082 -0.110 1.00 31.30 C ATOM 1392 C PRO A 980 17.180 -32.102 -1.283 1.00 50.14 C ATOM 1393 O PRO A 980 17.364 -30.899 -1.101 1.00 60.45 O ATOM 1394 CB PRO A 980 16.292 -32.708 1.022 1.00 40.43 C ATOM 1395 CG PRO A 980 17.162 -32.078 2.098 1.00 53.13 C ATOM 1396 CD PRO A 980 18.612 -32.394 1.769 1.00 33.43 C ATOM 0 HA PRO A 980 16.956 -34.043 -0.541 1.00 31.30 H new ATOM 0 HB2 PRO A 980 15.528 -32.010 0.679 1.00 40.43 H new ATOM 0 HB3 PRO A 980 15.773 -33.587 1.404 1.00 40.43 H new ATOM 0 HG2 PRO A 980 17.005 -31.000 2.133 1.00 53.13 H new ATOM 0 HG3 PRO A 980 16.899 -32.471 3.080 1.00 53.13 H new ATOM 0 HD2 PRO A 980 19.208 -31.485 1.693 1.00 33.43 H new ATOM 0 HD3 PRO A 980 19.068 -33.011 2.543 1.00 33.43 H new ATOM 1404 N CYS A 981 16.926 -32.652 -2.461 1.00 71.44 N ATOM 1405 CA CYS A 981 16.844 -31.842 -3.664 1.00 42.54 C ATOM 1406 C CYS A 981 15.368 -31.563 -3.957 1.00 65.51 C ATOM 1407 O CYS A 981 14.645 -32.448 -4.413 1.00 41.42 O ATOM 1408 CB CYS A 981 17.544 -32.513 -4.848 1.00 20.02 C ATOM 1409 SG CYS A 981 19.296 -31.990 -4.917 1.00 63.13 S ATOM 0 H CYS A 981 16.774 -33.650 -2.608 1.00 71.44 H new ATOM 0 HA CYS A 981 17.366 -30.899 -3.505 1.00 42.54 H new ATOM 0 HB2 CYS A 981 17.483 -33.597 -4.750 1.00 20.02 H new ATOM 0 HB3 CYS A 981 17.040 -32.248 -5.777 1.00 20.02 H new ATOM 0 HG CYS A 981 20.019 -32.957 -5.399 1.00 63.13 H new ATOM 1415 N LEU A 982 14.966 -30.331 -3.683 1.00 34.53 N ATOM 1416 CA LEU A 982 13.589 -29.926 -3.911 1.00 1.12 C ATOM 1417 C LEU A 982 13.442 -29.422 -5.348 1.00 71.30 C ATOM 1418 O LEU A 982 14.437 -29.165 -6.024 1.00 54.42 O ATOM 1419 CB LEU A 982 13.148 -28.910 -2.855 1.00 72.30 C ATOM 1420 CG LEU A 982 13.094 -29.421 -1.414 1.00 20.41 C ATOM 1421 CD1 LEU A 982 14.329 -30.263 -1.084 1.00 55.31 C ATOM 1422 CD2 LEU A 982 12.908 -28.266 -0.429 1.00 2.42 C ATOM 0 H LEU A 982 15.569 -29.600 -3.305 1.00 34.53 H new ATOM 0 HA LEU A 982 12.918 -30.778 -3.801 1.00 1.12 H new ATOM 0 HB2 LEU A 982 13.828 -28.059 -2.892 1.00 72.30 H new ATOM 0 HB3 LEU A 982 12.159 -28.540 -3.126 1.00 72.30 H new ATOM 0 HG LEU A 982 12.225 -30.071 -1.315 1.00 20.41 H new ATOM 0 HD11 LEU A 982 14.266 -30.614 -0.054 1.00 55.31 H new ATOM 0 HD12 LEU A 982 14.376 -31.119 -1.757 1.00 55.31 H new ATOM 0 HD13 LEU A 982 15.226 -29.656 -1.206 1.00 55.31 H new ATOM 0 HD21 LEU A 982 12.873 -28.657 0.588 1.00 2.42 H new ATOM 0 HD22 LEU A 982 13.742 -27.571 -0.522 1.00 2.42 H new ATOM 0 HD23 LEU A 982 11.976 -27.746 -0.650 1.00 2.42 H new ATOM 1434 N LYS A 983 12.193 -29.297 -5.772 1.00 61.13 N ATOM 1435 CA LYS A 983 11.903 -28.829 -7.117 1.00 12.11 C ATOM 1436 C LYS A 983 10.881 -27.692 -7.047 1.00 30.30 C ATOM 1437 O LYS A 983 9.784 -27.870 -6.519 1.00 63.32 O ATOM 1438 CB LYS A 983 11.467 -29.994 -8.007 1.00 73.05 C ATOM 1439 CG LYS A 983 12.277 -31.255 -7.697 1.00 14.51 C ATOM 1440 CD LYS A 983 11.819 -32.428 -8.565 1.00 60.04 C ATOM 1441 CE LYS A 983 12.996 -33.337 -8.923 1.00 65.12 C ATOM 1442 NZ LYS A 983 12.719 -34.077 -10.175 1.00 13.42 N ATOM 0 H LYS A 983 11.370 -29.512 -5.208 1.00 61.13 H new ATOM 0 HA LYS A 983 12.801 -28.423 -7.581 1.00 12.11 H new ATOM 0 HB2 LYS A 983 10.406 -30.193 -7.857 1.00 73.05 H new ATOM 0 HB3 LYS A 983 11.596 -29.723 -9.055 1.00 73.05 H new ATOM 0 HG2 LYS A 983 13.336 -31.063 -7.869 1.00 14.51 H new ATOM 0 HG3 LYS A 983 12.167 -31.513 -6.644 1.00 14.51 H new ATOM 0 HD2 LYS A 983 11.059 -33.002 -8.035 1.00 60.04 H new ATOM 0 HD3 LYS A 983 11.355 -32.051 -9.477 1.00 60.04 H new ATOM 0 HE2 LYS A 983 13.901 -32.741 -9.039 1.00 65.12 H new ATOM 0 HE3 LYS A 983 13.180 -34.041 -8.111 1.00 65.12 H new ATOM 0 HZ1 LYS A 983 13.528 -34.689 -10.403 1.00 13.42 H new ATOM 0 HZ2 LYS A 983 11.867 -34.661 -10.052 1.00 13.42 H new ATOM 0 HZ3 LYS A 983 12.566 -33.402 -10.951 1.00 13.42 H new ATOM 1455 N ILE A 984 11.277 -26.549 -7.587 1.00 62.21 N ATOM 1456 CA ILE A 984 10.409 -25.384 -7.593 1.00 5.33 C ATOM 1457 C ILE A 984 9.113 -25.722 -8.331 1.00 51.02 C ATOM 1458 O ILE A 984 8.104 -25.038 -8.166 1.00 72.32 O ATOM 1459 CB ILE A 984 11.145 -24.171 -8.166 1.00 2.31 C ATOM 1460 CG1 ILE A 984 11.847 -23.382 -7.059 1.00 10.43 C ATOM 1461 CG2 ILE A 984 10.198 -23.291 -8.984 1.00 73.33 C ATOM 1462 CD1 ILE A 984 12.411 -22.065 -7.597 1.00 21.21 C ATOM 0 H ILE A 984 12.188 -26.405 -8.024 1.00 62.21 H new ATOM 0 HA ILE A 984 10.133 -25.109 -6.575 1.00 5.33 H new ATOM 0 HB ILE A 984 11.918 -24.531 -8.845 1.00 2.31 H new ATOM 0 HG12 ILE A 984 11.144 -23.178 -6.251 1.00 10.43 H new ATOM 0 HG13 ILE A 984 12.653 -23.981 -6.636 1.00 10.43 H new ATOM 0 HG21 ILE A 984 10.746 -22.436 -9.380 1.00 73.33 H new ATOM 0 HG22 ILE A 984 9.785 -23.871 -9.809 1.00 73.33 H new ATOM 0 HG23 ILE A 984 9.387 -22.938 -8.346 1.00 73.33 H new ATOM 0 HD11 ILE A 984 12.905 -21.524 -6.790 1.00 21.21 H new ATOM 0 HD12 ILE A 984 13.132 -22.274 -8.388 1.00 21.21 H new ATOM 0 HD13 ILE A 984 11.599 -21.458 -7.997 1.00 21.21 H new ATOM 1474 N ARG A 985 9.182 -26.777 -9.130 1.00 4.21 N ATOM 1475 CA ARG A 985 8.027 -27.214 -9.894 1.00 73.23 C ATOM 1476 C ARG A 985 6.986 -27.846 -8.968 1.00 33.10 C ATOM 1477 O ARG A 985 5.882 -28.173 -9.401 1.00 33.04 O ATOM 1478 CB ARG A 985 8.428 -28.229 -10.967 1.00 14.21 C ATOM 1479 CG ARG A 985 9.406 -29.262 -10.406 1.00 25.25 C ATOM 1480 CD ARG A 985 9.205 -30.626 -11.070 1.00 10.33 C ATOM 1481 NE ARG A 985 10.092 -30.751 -12.248 1.00 1.03 N ATOM 1482 CZ ARG A 985 10.095 -31.811 -13.084 1.00 11.22 C ATOM 1483 NH1 ARG A 985 9.256 -32.848 -12.878 1.00 32.21 N ATOM 1484 NH2 ARG A 985 10.930 -31.818 -14.106 1.00 4.33 N ATOM 0 H ARG A 985 10.021 -27.342 -9.264 1.00 4.21 H new ATOM 0 HA ARG A 985 7.601 -26.337 -10.381 1.00 73.23 H new ATOM 0 HB2 ARG A 985 7.539 -28.733 -11.346 1.00 14.21 H new ATOM 0 HB3 ARG A 985 8.885 -27.711 -11.810 1.00 14.21 H new ATOM 0 HG2 ARG A 985 10.430 -28.923 -10.566 1.00 25.25 H new ATOM 0 HG3 ARG A 985 9.265 -29.354 -9.329 1.00 25.25 H new ATOM 0 HD2 ARG A 985 9.419 -31.422 -10.357 1.00 10.33 H new ATOM 0 HD3 ARG A 985 8.165 -30.742 -11.374 1.00 10.33 H new ATOM 0 HE ARG A 985 10.742 -29.989 -12.440 1.00 1.03 H new ATOM 0 HH11 ARG A 985 8.613 -32.835 -12.086 1.00 32.21 H new ATOM 0 HH12 ARG A 985 9.265 -33.645 -13.514 1.00 32.21 H new ATOM 0 HH21 ARG A 985 11.560 -31.030 -14.255 1.00 4.33 H new ATOM 0 HH22 ARG A 985 10.945 -32.611 -14.747 1.00 4.33 H new ATOM 1497 N ASN A 986 7.374 -27.999 -7.711 1.00 4.03 N ATOM 1498 CA ASN A 986 6.489 -28.586 -6.720 1.00 14.14 C ATOM 1499 C ASN A 986 6.331 -27.618 -5.545 1.00 45.23 C ATOM 1500 O ASN A 986 5.606 -27.903 -4.594 1.00 54.31 O ATOM 1501 CB ASN A 986 7.060 -29.897 -6.178 1.00 25.43 C ATOM 1502 CG ASN A 986 7.371 -30.872 -7.316 1.00 1.23 C ATOM 1503 OD1 ASN A 986 6.570 -31.102 -8.206 1.00 72.34 O ATOM 1504 ND2 ASN A 986 8.576 -31.429 -7.237 1.00 20.23 N ATOM 0 H ASN A 986 8.290 -27.726 -7.356 1.00 4.03 H new ATOM 0 HA ASN A 986 5.530 -28.781 -7.200 1.00 14.14 H new ATOM 0 HB2 ASN A 986 7.968 -29.695 -5.609 1.00 25.43 H new ATOM 0 HB3 ASN A 986 6.347 -30.351 -5.490 1.00 25.43 H new ATOM 0 HD21 ASN A 986 8.878 -32.093 -7.949 1.00 20.23 H new ATOM 0 HD22 ASN A 986 9.198 -31.192 -6.464 1.00 20.23 H new ATOM 1511 N PHE A 987 7.024 -26.493 -5.650 1.00 72.05 N ATOM 1512 CA PHE A 987 6.970 -25.481 -4.609 1.00 62.10 C ATOM 1513 C PHE A 987 6.482 -24.143 -5.169 1.00 30.52 C ATOM 1514 O PHE A 987 6.135 -24.048 -6.345 1.00 72.30 O ATOM 1515 CB PHE A 987 8.395 -25.309 -4.079 1.00 30.11 C ATOM 1516 CG PHE A 987 8.801 -26.352 -3.036 1.00 20.22 C ATOM 1517 CD1 PHE A 987 9.163 -27.603 -3.430 1.00 11.44 C ATOM 1518 CD2 PHE A 987 8.800 -26.029 -1.715 1.00 0.23 C ATOM 1519 CE1 PHE A 987 9.540 -28.571 -2.461 1.00 52.44 C ATOM 1520 CE2 PHE A 987 9.177 -26.997 -0.747 1.00 11.14 C ATOM 1521 CZ PHE A 987 9.539 -28.247 -1.140 1.00 72.34 C ATOM 0 H PHE A 987 7.626 -26.260 -6.440 1.00 72.05 H new ATOM 0 HA PHE A 987 6.278 -25.790 -3.825 1.00 62.10 H new ATOM 0 HB2 PHE A 987 9.091 -25.357 -4.916 1.00 30.11 H new ATOM 0 HB3 PHE A 987 8.491 -24.316 -3.641 1.00 30.11 H new ATOM 0 HD1 PHE A 987 9.164 -27.860 -4.479 1.00 11.44 H new ATOM 0 HD2 PHE A 987 8.512 -25.036 -1.402 1.00 0.23 H new ATOM 0 HE1 PHE A 987 9.827 -29.564 -2.773 1.00 52.44 H new ATOM 0 HE2 PHE A 987 9.176 -26.740 0.302 1.00 11.14 H new ATOM 0 HZ PHE A 987 9.826 -28.983 -0.403 1.00 72.34 H new ATOM 1531 N VAL A 988 6.471 -23.143 -4.300 1.00 31.41 N ATOM 1532 CA VAL A 988 6.031 -21.815 -4.693 1.00 20.43 C ATOM 1533 C VAL A 988 6.961 -20.771 -4.072 1.00 52.44 C ATOM 1534 O VAL A 988 7.667 -21.058 -3.107 1.00 63.14 O ATOM 1535 CB VAL A 988 4.564 -21.615 -4.307 1.00 1.42 C ATOM 1536 CG1 VAL A 988 3.991 -20.358 -4.965 1.00 61.02 C ATOM 1537 CG2 VAL A 988 3.730 -22.848 -4.661 1.00 4.25 C ATOM 0 H VAL A 988 6.760 -23.226 -3.325 1.00 31.41 H new ATOM 0 HA VAL A 988 6.087 -21.698 -5.775 1.00 20.43 H new ATOM 0 HB VAL A 988 4.518 -21.479 -3.227 1.00 1.42 H new ATOM 0 HG11 VAL A 988 2.947 -20.239 -4.675 1.00 61.02 H new ATOM 0 HG12 VAL A 988 4.560 -19.486 -4.641 1.00 61.02 H new ATOM 0 HG13 VAL A 988 4.057 -20.452 -6.049 1.00 61.02 H new ATOM 0 HG21 VAL A 988 2.692 -22.679 -4.376 1.00 4.25 H new ATOM 0 HG22 VAL A 988 3.787 -23.030 -5.734 1.00 4.25 H new ATOM 0 HG23 VAL A 988 4.117 -23.715 -4.125 1.00 4.25 H new ATOM 1547 N VAL A 989 6.930 -19.580 -4.652 1.00 3.41 N ATOM 1548 CA VAL A 989 7.762 -18.490 -4.168 1.00 74.40 C ATOM 1549 C VAL A 989 6.875 -17.292 -3.824 1.00 40.34 C ATOM 1550 O VAL A 989 6.178 -16.763 -4.689 1.00 13.12 O ATOM 1551 CB VAL A 989 8.842 -18.159 -5.199 1.00 41.33 C ATOM 1552 CG1 VAL A 989 9.992 -17.381 -4.557 1.00 45.23 C ATOM 1553 CG2 VAL A 989 9.353 -19.427 -5.885 1.00 62.31 C ATOM 0 H VAL A 989 6.342 -19.345 -5.452 1.00 3.41 H new ATOM 0 HA VAL A 989 8.282 -18.782 -3.256 1.00 74.40 H new ATOM 0 HB VAL A 989 8.393 -17.524 -5.962 1.00 41.33 H new ATOM 0 HG11 VAL A 989 10.746 -17.158 -5.311 1.00 45.23 H new ATOM 0 HG12 VAL A 989 9.612 -16.449 -4.138 1.00 45.23 H new ATOM 0 HG13 VAL A 989 10.438 -17.980 -3.763 1.00 45.23 H new ATOM 0 HG21 VAL A 989 10.120 -19.163 -6.613 1.00 62.31 H new ATOM 0 HG22 VAL A 989 9.777 -20.099 -5.139 1.00 62.31 H new ATOM 0 HG23 VAL A 989 8.527 -19.924 -6.393 1.00 62.31 H new ATOM 1563 N VAL A 990 6.931 -16.898 -2.561 1.00 33.14 N ATOM 1564 CA VAL A 990 6.141 -15.772 -2.092 1.00 45.41 C ATOM 1565 C VAL A 990 7.078 -14.630 -1.691 1.00 31.12 C ATOM 1566 O VAL A 990 7.944 -14.805 -0.835 1.00 42.23 O ATOM 1567 CB VAL A 990 5.219 -16.216 -0.955 1.00 51.22 C ATOM 1568 CG1 VAL A 990 4.933 -15.058 0.003 1.00 1.01 C ATOM 1569 CG2 VAL A 990 3.919 -16.808 -1.504 1.00 11.45 C ATOM 0 H VAL A 990 7.511 -17.338 -1.847 1.00 33.14 H new ATOM 0 HA VAL A 990 5.496 -15.400 -2.888 1.00 45.41 H new ATOM 0 HB VAL A 990 5.732 -16.996 -0.393 1.00 51.22 H new ATOM 0 HG11 VAL A 990 4.275 -15.401 0.802 1.00 1.01 H new ATOM 0 HG12 VAL A 990 5.869 -14.701 0.432 1.00 1.01 H new ATOM 0 HG13 VAL A 990 4.450 -14.246 -0.541 1.00 1.01 H new ATOM 0 HG21 VAL A 990 3.281 -17.116 -0.676 1.00 11.45 H new ATOM 0 HG22 VAL A 990 3.401 -16.058 -2.101 1.00 11.45 H new ATOM 0 HG23 VAL A 990 4.148 -17.673 -2.127 1.00 11.45 H new ATOM 1579 N PHE A 991 6.872 -13.487 -2.328 1.00 11.23 N ATOM 1580 CA PHE A 991 7.687 -12.317 -2.048 1.00 11.22 C ATOM 1581 C PHE A 991 7.144 -11.546 -0.843 1.00 53.42 C ATOM 1582 O PHE A 991 5.937 -11.337 -0.728 1.00 40.31 O ATOM 1583 CB PHE A 991 7.621 -11.419 -3.285 1.00 74.20 C ATOM 1584 CG PHE A 991 8.441 -11.932 -4.471 1.00 33.24 C ATOM 1585 CD1 PHE A 991 9.796 -11.814 -4.462 1.00 55.33 C ATOM 1586 CD2 PHE A 991 7.815 -12.507 -5.533 1.00 12.35 C ATOM 1587 CE1 PHE A 991 10.557 -12.290 -5.563 1.00 15.35 C ATOM 1588 CE2 PHE A 991 8.576 -12.983 -6.633 1.00 11.31 C ATOM 1589 CZ PHE A 991 9.931 -12.864 -6.625 1.00 33.14 C ATOM 0 H PHE A 991 6.153 -13.346 -3.037 1.00 11.23 H new ATOM 0 HA PHE A 991 8.709 -12.621 -1.820 1.00 11.22 H new ATOM 0 HB2 PHE A 991 6.580 -11.318 -3.593 1.00 74.20 H new ATOM 0 HB3 PHE A 991 7.973 -10.423 -3.017 1.00 74.20 H new ATOM 0 HD1 PHE A 991 10.293 -11.359 -3.618 1.00 55.33 H new ATOM 0 HD2 PHE A 991 6.739 -12.601 -5.539 1.00 12.35 H new ATOM 0 HE1 PHE A 991 11.633 -12.196 -5.557 1.00 15.35 H new ATOM 0 HE2 PHE A 991 8.079 -13.440 -7.476 1.00 11.31 H new ATOM 0 HZ PHE A 991 10.510 -13.225 -7.462 1.00 33.14 H new ATOM 1599 N LYS A 992 8.061 -11.144 0.024 1.00 10.52 N ATOM 1600 CA LYS A 992 7.689 -10.400 1.216 1.00 42.11 C ATOM 1601 C LYS A 992 7.606 -8.910 0.877 1.00 22.21 C ATOM 1602 O LYS A 992 6.672 -8.227 1.292 1.00 13.44 O ATOM 1603 CB LYS A 992 8.647 -10.717 2.366 1.00 45.32 C ATOM 1604 CG LYS A 992 8.044 -10.309 3.711 1.00 15.41 C ATOM 1605 CD LYS A 992 9.101 -10.332 4.817 1.00 70.34 C ATOM 1606 CE LYS A 992 9.893 -11.641 4.790 1.00 72.11 C ATOM 1607 NZ LYS A 992 10.759 -11.747 5.985 1.00 22.21 N ATOM 0 H LYS A 992 9.061 -11.319 -0.075 1.00 10.52 H new ATOM 0 HA LYS A 992 6.701 -10.704 1.562 1.00 42.11 H new ATOM 0 HB2 LYS A 992 8.872 -11.784 2.373 1.00 45.32 H new ATOM 0 HB3 LYS A 992 9.591 -10.193 2.213 1.00 45.32 H new ATOM 0 HG2 LYS A 992 7.616 -9.310 3.633 1.00 15.41 H new ATOM 0 HG3 LYS A 992 7.229 -10.986 3.968 1.00 15.41 H new ATOM 0 HD2 LYS A 992 9.781 -9.489 4.693 1.00 70.34 H new ATOM 0 HD3 LYS A 992 8.620 -10.214 5.788 1.00 70.34 H new ATOM 0 HE2 LYS A 992 9.207 -12.487 4.754 1.00 72.11 H new ATOM 0 HE3 LYS A 992 10.502 -11.686 3.887 1.00 72.11 H new ATOM 0 HZ1 LYS A 992 11.289 -12.641 5.951 1.00 22.21 H new ATOM 0 HZ2 LYS A 992 11.426 -10.949 6.002 1.00 22.21 H new ATOM 0 HZ3 LYS A 992 10.171 -11.726 6.843 1.00 22.21 H new ATOM 1673 N LYS A 997 2.465 -13.694 -4.991 1.00 63.24 N ATOM 1674 CA LYS A 997 2.902 -15.080 -5.006 1.00 42.10 C ATOM 1675 C LYS A 997 3.281 -15.476 -6.435 1.00 14.23 C ATOM 1676 O LYS A 997 2.435 -15.472 -7.328 1.00 62.22 O ATOM 1677 CB LYS A 997 1.839 -15.984 -4.379 1.00 12.43 C ATOM 1678 CG LYS A 997 1.851 -17.372 -5.021 1.00 24.43 C ATOM 1679 CD LYS A 997 0.730 -18.247 -4.456 1.00 64.51 C ATOM 1680 CE LYS A 997 0.962 -18.547 -2.974 1.00 3.22 C ATOM 1681 NZ LYS A 997 2.154 -19.406 -2.799 1.00 23.41 N ATOM 0 HA LYS A 997 3.795 -15.204 -4.393 1.00 42.10 H new ATOM 0 HB2 LYS A 997 2.019 -16.074 -3.308 1.00 12.43 H new ATOM 0 HB3 LYS A 997 0.855 -15.532 -4.500 1.00 12.43 H new ATOM 0 HG2 LYS A 997 1.735 -17.278 -6.101 1.00 24.43 H new ATOM 0 HG3 LYS A 997 2.815 -17.850 -4.844 1.00 24.43 H new ATOM 0 HD2 LYS A 997 -0.228 -17.743 -4.583 1.00 64.51 H new ATOM 0 HD3 LYS A 997 0.676 -19.181 -5.016 1.00 64.51 H new ATOM 0 HE2 LYS A 997 1.095 -17.615 -2.425 1.00 3.22 H new ATOM 0 HE3 LYS A 997 0.085 -19.042 -2.556 1.00 3.22 H new ATOM 0 HZ1 LYS A 997 2.307 -19.586 -1.786 1.00 23.41 H new ATOM 0 HZ2 LYS A 997 2.006 -20.309 -3.293 1.00 23.41 H new ATOM 0 HZ3 LYS A 997 2.988 -18.927 -3.195 1.00 23.41 H new ATOM 1694 N LYS A 998 4.552 -15.808 -6.606 1.00 13.23 N ATOM 1695 CA LYS A 998 5.052 -16.205 -7.910 1.00 65.35 C ATOM 1696 C LYS A 998 5.299 -17.715 -7.919 1.00 22.31 C ATOM 1697 O LYS A 998 5.922 -18.251 -7.004 1.00 21.24 O ATOM 1698 CB LYS A 998 6.284 -15.379 -8.286 1.00 51.14 C ATOM 1699 CG LYS A 998 5.882 -14.106 -9.034 1.00 5.42 C ATOM 1700 CD LYS A 998 4.904 -13.269 -8.206 1.00 63.42 C ATOM 1701 CE LYS A 998 4.603 -11.937 -8.895 1.00 4.31 C ATOM 1702 NZ LYS A 998 5.544 -10.891 -8.434 1.00 61.10 N ATOM 0 H LYS A 998 5.250 -15.810 -5.863 1.00 13.23 H new ATOM 0 HA LYS A 998 4.310 -15.998 -8.681 1.00 65.35 H new ATOM 0 HB2 LYS A 998 6.839 -15.116 -7.385 1.00 51.14 H new ATOM 0 HB3 LYS A 998 6.951 -15.976 -8.908 1.00 51.14 H new ATOM 0 HG2 LYS A 998 6.771 -13.516 -9.259 1.00 5.42 H new ATOM 0 HG3 LYS A 998 5.424 -14.369 -9.987 1.00 5.42 H new ATOM 0 HD2 LYS A 998 3.978 -13.824 -8.060 1.00 63.42 H new ATOM 0 HD3 LYS A 998 5.324 -13.084 -7.217 1.00 63.42 H new ATOM 0 HE2 LYS A 998 4.681 -12.054 -9.976 1.00 4.31 H new ATOM 0 HE3 LYS A 998 3.578 -11.633 -8.680 1.00 4.31 H new ATOM 0 HZ1 LYS A 998 5.326 -9.993 -8.911 1.00 61.10 H new ATOM 0 HZ2 LYS A 998 5.450 -10.768 -7.406 1.00 61.10 H new ATOM 0 HZ3 LYS A 998 6.518 -11.176 -8.661 1.00 61.10 H new ATOM 1715 N GLN A 999 4.798 -18.359 -8.963 1.00 13.22 N ATOM 1716 CA GLN A 999 4.956 -19.796 -9.102 1.00 71.44 C ATOM 1717 C GLN A 999 5.938 -20.115 -10.231 1.00 62.23 C ATOM 1718 O GLN A 999 5.639 -19.887 -11.402 1.00 74.54 O ATOM 1719 CB GLN A 999 3.606 -20.476 -9.342 1.00 2.20 C ATOM 1720 CG GLN A 999 3.600 -21.897 -8.776 1.00 72.55 C ATOM 1721 CD GLN A 999 2.184 -22.326 -8.385 1.00 51.34 C ATOM 1722 OE1 GLN A 999 1.194 -21.779 -8.843 1.00 13.14 O ATOM 1723 NE2 GLN A 999 2.144 -23.332 -7.516 1.00 55.34 N ATOM 0 H GLN A 999 4.282 -17.911 -9.721 1.00 13.22 H new ATOM 0 HA GLN A 999 5.363 -20.189 -8.170 1.00 71.44 H new ATOM 0 HB2 GLN A 999 2.813 -19.892 -8.876 1.00 2.20 H new ATOM 0 HB3 GLN A 999 3.394 -20.506 -10.411 1.00 2.20 H new ATOM 0 HG2 GLN A 999 4.002 -22.589 -9.516 1.00 72.55 H new ATOM 0 HG3 GLN A 999 4.253 -21.948 -7.905 1.00 72.55 H new ATOM 0 HE21 GLN A 999 3.012 -23.744 -7.173 1.00 55.34 H new ATOM 0 HE22 GLN A 999 1.246 -23.691 -7.193 1.00 55.34 H new ATOM 1732 N TYR A1000 7.091 -20.637 -9.840 1.00 22.34 N ATOM 1733 CA TYR A1000 8.119 -20.990 -10.804 1.00 43.30 C ATOM 1734 C TYR A1000 8.154 -22.501 -11.041 1.00 52.12 C ATOM 1735 O TYR A1000 7.270 -23.225 -10.585 1.00 4.23 O ATOM 1736 CB TYR A1000 9.447 -20.552 -10.183 1.00 65.51 C ATOM 1737 CG TYR A1000 9.606 -19.036 -10.057 1.00 20.01 C ATOM 1738 CD1 TYR A1000 9.145 -18.385 -8.930 1.00 71.33 C ATOM 1739 CD2 TYR A1000 10.210 -18.319 -11.069 1.00 40.33 C ATOM 1740 CE1 TYR A1000 9.294 -16.958 -8.811 1.00 61.15 C ATOM 1741 CE2 TYR A1000 10.359 -16.891 -10.950 1.00 63.45 C ATOM 1742 CZ TYR A1000 9.894 -16.282 -9.827 1.00 50.54 C ATOM 1743 OH TYR A1000 10.035 -14.933 -9.715 1.00 71.51 O ATOM 0 H TYR A1000 7.336 -20.824 -8.868 1.00 22.34 H new ATOM 0 HA TYR A1000 7.927 -20.509 -11.763 1.00 43.30 H new ATOM 0 HB2 TYR A1000 9.539 -21.000 -9.194 1.00 65.51 H new ATOM 0 HB3 TYR A1000 10.265 -20.944 -10.787 1.00 65.51 H new ATOM 0 HD1 TYR A1000 8.673 -18.946 -8.138 1.00 71.33 H new ATOM 0 HD2 TYR A1000 10.571 -18.828 -11.950 1.00 40.33 H new ATOM 0 HE1 TYR A1000 8.937 -16.436 -7.935 1.00 61.15 H new ATOM 0 HE2 TYR A1000 10.829 -16.317 -11.735 1.00 63.45 H new ATOM 0 HH TYR A1000 10.482 -14.583 -10.514 1.00 71.51 H new ATOM 1753 N LYS A1001 9.183 -22.932 -11.755 1.00 23.21 N ATOM 1754 CA LYS A1001 9.345 -24.344 -12.058 1.00 74.13 C ATOM 1755 C LYS A1001 10.752 -24.790 -11.658 1.00 4.22 C ATOM 1756 O LYS A1001 10.920 -25.825 -11.016 1.00 23.52 O ATOM 1757 CB LYS A1001 9.006 -24.619 -13.525 1.00 4.01 C ATOM 1758 CG LYS A1001 9.717 -23.626 -14.447 1.00 0.01 C ATOM 1759 CD LYS A1001 9.368 -23.893 -15.913 1.00 5.44 C ATOM 1760 CE LYS A1001 10.065 -22.889 -16.833 1.00 40.52 C ATOM 1761 NZ LYS A1001 9.704 -23.144 -18.246 1.00 3.33 N ATOM 0 H LYS A1001 9.913 -22.328 -12.133 1.00 23.21 H new ATOM 0 HA LYS A1001 8.644 -24.941 -11.475 1.00 74.13 H new ATOM 0 HB2 LYS A1001 9.299 -25.636 -13.785 1.00 4.01 H new ATOM 0 HB3 LYS A1001 7.928 -24.550 -13.672 1.00 4.01 H new ATOM 0 HG2 LYS A1001 9.431 -22.608 -14.181 1.00 0.01 H new ATOM 0 HG3 LYS A1001 10.795 -23.701 -14.306 1.00 0.01 H new ATOM 0 HD2 LYS A1001 9.665 -24.906 -16.183 1.00 5.44 H new ATOM 0 HD3 LYS A1001 8.289 -23.830 -16.051 1.00 5.44 H new ATOM 0 HE2 LYS A1001 9.780 -21.874 -16.556 1.00 40.52 H new ATOM 0 HE3 LYS A1001 11.145 -22.962 -16.709 1.00 40.52 H new ATOM 0 HZ1 LYS A1001 10.185 -22.454 -18.857 1.00 3.33 H new ATOM 0 HZ2 LYS A1001 9.998 -24.106 -18.511 1.00 3.33 H new ATOM 0 HZ3 LYS A1001 8.675 -23.052 -18.363 1.00 3.33 H new ATOM 1774 N LYS A1002 11.728 -23.985 -12.053 1.00 61.54 N ATOM 1775 CA LYS A1002 13.116 -24.284 -11.744 1.00 30.03 C ATOM 1776 C LYS A1002 13.711 -23.135 -10.927 1.00 55.45 C ATOM 1777 O LYS A1002 13.227 -22.005 -10.995 1.00 64.45 O ATOM 1778 CB LYS A1002 13.895 -24.597 -13.023 1.00 31.33 C ATOM 1779 CG LYS A1002 13.453 -25.935 -13.620 1.00 53.54 C ATOM 1780 CD LYS A1002 13.716 -25.975 -15.127 1.00 74.41 C ATOM 1781 CE LYS A1002 13.854 -27.417 -15.621 1.00 3.05 C ATOM 1782 NZ LYS A1002 13.619 -27.490 -17.080 1.00 32.22 N ATOM 0 H LYS A1002 11.585 -23.126 -12.584 1.00 61.54 H new ATOM 0 HA LYS A1002 13.184 -25.182 -11.130 1.00 30.03 H new ATOM 0 HB2 LYS A1002 13.741 -23.801 -13.751 1.00 31.33 H new ATOM 0 HB3 LYS A1002 14.963 -24.627 -12.805 1.00 31.33 H new ATOM 0 HG2 LYS A1002 13.988 -26.750 -13.132 1.00 53.54 H new ATOM 0 HG3 LYS A1002 12.391 -26.090 -13.428 1.00 53.54 H new ATOM 0 HD2 LYS A1002 12.900 -25.482 -15.655 1.00 74.41 H new ATOM 0 HD3 LYS A1002 14.625 -25.420 -15.356 1.00 74.41 H new ATOM 0 HE2 LYS A1002 14.850 -27.794 -15.388 1.00 3.05 H new ATOM 0 HE3 LYS A1002 13.141 -28.056 -15.100 1.00 3.05 H new ATOM 0 HZ1 LYS A1002 13.717 -28.475 -17.398 1.00 32.22 H new ATOM 0 HZ2 LYS A1002 12.660 -27.150 -17.295 1.00 32.22 H new ATOM 0 HZ3 LYS A1002 14.315 -26.896 -17.574 1.00 32.22 H new ATOM 1795 N TRP A1003 14.750 -23.462 -10.174 1.00 43.14 N ATOM 1796 CA TRP A1003 15.416 -22.471 -9.346 1.00 12.21 C ATOM 1797 C TRP A1003 16.108 -21.468 -10.272 1.00 32.42 C ATOM 1798 O TRP A1003 16.345 -20.324 -9.887 1.00 61.34 O ATOM 1799 CB TRP A1003 16.378 -23.137 -8.360 1.00 52.03 C ATOM 1800 CG TRP A1003 15.784 -24.342 -7.629 1.00 35.22 C ATOM 1801 CD1 TRP A1003 15.865 -25.636 -7.968 1.00 51.14 C ATOM 1802 CD2 TRP A1003 15.008 -24.313 -6.412 1.00 4.33 C ATOM 1803 NE1 TRP A1003 15.202 -26.439 -7.063 1.00 73.22 N ATOM 1804 CE2 TRP A1003 14.664 -25.609 -6.086 1.00 45.14 C ATOM 1805 CE3 TRP A1003 14.611 -23.227 -5.612 1.00 43.40 C ATOM 1806 CZ2 TRP A1003 13.907 -25.941 -4.957 1.00 2.45 C ATOM 1807 CZ3 TRP A1003 13.855 -23.575 -4.486 1.00 50.25 C ATOM 1808 CH2 TRP A1003 13.500 -24.875 -4.145 1.00 43.32 C ATOM 0 H TRP A1003 15.148 -24.400 -10.120 1.00 43.14 H new ATOM 0 HA TRP A1003 14.694 -21.935 -8.730 1.00 12.21 H new ATOM 0 HB2 TRP A1003 17.271 -23.455 -8.898 1.00 52.03 H new ATOM 0 HB3 TRP A1003 16.696 -22.399 -7.624 1.00 52.03 H new ATOM 0 HD1 TRP A1003 16.384 -26.004 -8.840 1.00 51.14 H new ATOM 0 HE1 TRP A1003 15.121 -27.455 -7.103 1.00 73.22 H new ATOM 0 HE3 TRP A1003 14.869 -22.205 -5.847 1.00 43.40 H new ATOM 0 HZ2 TRP A1003 13.650 -26.964 -4.724 1.00 2.45 H new ATOM 0 HZ3 TRP A1003 13.525 -22.778 -3.837 1.00 50.25 H new ATOM 0 HH2 TRP A1003 12.913 -25.062 -3.258 1.00 43.32 H new ATOM 1819 N VAL A1004 16.412 -21.934 -11.474 1.00 60.42 N ATOM 1820 CA VAL A1004 17.072 -21.093 -12.458 1.00 0.01 C ATOM 1821 C VAL A1004 16.161 -19.915 -12.808 1.00 50.24 C ATOM 1822 O VAL A1004 16.640 -18.835 -13.150 1.00 45.13 O ATOM 1823 CB VAL A1004 17.468 -21.927 -13.678 1.00 54.55 C ATOM 1824 CG1 VAL A1004 16.319 -22.838 -14.116 1.00 0.15 C ATOM 1825 CG2 VAL A1004 17.925 -21.029 -14.830 1.00 74.34 C ATOM 0 H VAL A1004 16.213 -22.884 -11.789 1.00 60.42 H new ATOM 0 HA VAL A1004 17.995 -20.680 -12.051 1.00 0.01 H new ATOM 0 HB VAL A1004 18.308 -22.561 -13.393 1.00 54.55 H new ATOM 0 HG11 VAL A1004 16.627 -23.420 -14.985 1.00 0.15 H new ATOM 0 HG12 VAL A1004 16.059 -23.513 -13.301 1.00 0.15 H new ATOM 0 HG13 VAL A1004 15.452 -22.231 -14.375 1.00 0.15 H new ATOM 0 HG21 VAL A1004 18.201 -21.646 -15.685 1.00 74.34 H new ATOM 0 HG22 VAL A1004 17.113 -20.359 -15.113 1.00 74.34 H new ATOM 0 HG23 VAL A1004 18.787 -20.441 -14.513 1.00 74.34 H new ATOM 1835 N GLU A1005 14.863 -20.163 -12.711 1.00 40.54 N ATOM 1836 CA GLU A1005 13.880 -19.136 -13.014 1.00 5.30 C ATOM 1837 C GLU A1005 13.886 -18.059 -11.927 1.00 42.10 C ATOM 1838 O GLU A1005 13.443 -16.935 -12.159 1.00 73.31 O ATOM 1839 CB GLU A1005 12.486 -19.743 -13.177 1.00 54.41 C ATOM 1840 CG GLU A1005 12.510 -20.917 -14.157 1.00 72.14 C ATOM 1841 CD GLU A1005 12.561 -20.423 -15.604 1.00 53.44 C ATOM 1842 OE1 GLU A1005 11.750 -19.571 -15.997 1.00 53.23 O ATOM 1843 OE2 GLU A1005 13.485 -20.955 -16.330 1.00 50.42 O ATOM 0 H GLU A1005 14.469 -21.060 -12.427 1.00 40.54 H new ATOM 0 HA GLU A1005 14.150 -18.670 -13.962 1.00 5.30 H new ATOM 0 HB2 GLU A1005 12.117 -20.081 -12.209 1.00 54.41 H new ATOM 0 HB3 GLU A1005 11.793 -18.981 -13.534 1.00 54.41 H new ATOM 0 HG2 GLU A1005 13.376 -21.547 -13.954 1.00 72.14 H new ATOM 0 HG3 GLU A1005 11.624 -21.535 -14.011 1.00 72.14 H new ATOM 1851 N LEU A1006 14.393 -18.440 -10.764 1.00 4.01 N ATOM 1852 CA LEU A1006 14.463 -17.521 -9.641 1.00 14.05 C ATOM 1853 C LEU A1006 15.480 -16.421 -9.949 1.00 52.54 C ATOM 1854 O LEU A1006 16.677 -16.686 -10.048 1.00 34.41 O ATOM 1855 CB LEU A1006 14.753 -18.280 -8.344 1.00 74.22 C ATOM 1856 CG LEU A1006 14.092 -17.726 -7.080 1.00 60.22 C ATOM 1857 CD1 LEU A1006 12.615 -17.412 -7.326 1.00 41.13 C ATOM 1858 CD2 LEU A1006 14.286 -18.678 -5.898 1.00 4.41 C ATOM 0 H LEU A1006 14.759 -19.373 -10.575 1.00 4.01 H new ATOM 0 HA LEU A1006 13.500 -17.032 -9.489 1.00 14.05 H new ATOM 0 HB2 LEU A1006 14.435 -19.314 -8.473 1.00 74.22 H new ATOM 0 HB3 LEU A1006 15.832 -18.295 -8.189 1.00 74.22 H new ATOM 0 HG LEU A1006 14.582 -16.787 -6.822 1.00 60.22 H new ATOM 0 HD11 LEU A1006 12.169 -17.020 -6.412 1.00 41.13 H new ATOM 0 HD12 LEU A1006 12.528 -16.670 -8.119 1.00 41.13 H new ATOM 0 HD13 LEU A1006 12.094 -18.322 -7.622 1.00 41.13 H new ATOM 0 HD21 LEU A1006 13.807 -18.261 -5.012 1.00 4.41 H new ATOM 0 HD22 LEU A1006 13.838 -19.644 -6.132 1.00 4.41 H new ATOM 0 HD23 LEU A1006 15.351 -18.808 -5.707 1.00 4.41 H new ATOM 1870 N PRO A1007 14.953 -15.176 -10.097 1.00 54.34 N ATOM 1871 CA PRO A1007 15.801 -14.034 -10.393 1.00 41.10 C ATOM 1872 C PRO A1007 16.580 -13.594 -9.152 1.00 45.11 C ATOM 1873 O PRO A1007 17.375 -12.657 -9.214 1.00 24.34 O ATOM 1874 CB PRO A1007 14.854 -12.963 -10.910 1.00 61.31 C ATOM 1875 CG PRO A1007 13.466 -13.377 -10.450 1.00 32.41 C ATOM 1876 CD PRO A1007 13.540 -14.823 -9.988 1.00 30.44 C ATOM 0 HA PRO A1007 16.567 -14.260 -11.134 1.00 41.10 H new ATOM 0 HB2 PRO A1007 15.120 -11.983 -10.515 1.00 61.31 H new ATOM 0 HB3 PRO A1007 14.900 -12.892 -11.997 1.00 61.31 H new ATOM 0 HG2 PRO A1007 13.125 -12.734 -9.639 1.00 32.41 H new ATOM 0 HG3 PRO A1007 12.747 -13.272 -11.263 1.00 32.41 H new ATOM 0 HD2 PRO A1007 13.183 -14.930 -8.964 1.00 30.44 H new ATOM 0 HD3 PRO A1007 12.921 -15.470 -10.610 1.00 30.44 H new ATOM 1884 N ILE A1008 16.326 -14.291 -8.055 1.00 15.15 N ATOM 1885 CA ILE A1008 16.993 -13.984 -6.801 1.00 64.11 C ATOM 1886 C ILE A1008 18.320 -14.744 -6.735 1.00 74.24 C ATOM 1887 O ILE A1008 18.368 -15.940 -7.018 1.00 22.41 O ATOM 1888 CB ILE A1008 16.065 -14.263 -5.617 1.00 63.11 C ATOM 1889 CG1 ILE A1008 15.036 -13.143 -5.452 1.00 31.44 C ATOM 1890 CG2 ILE A1008 16.867 -14.499 -4.336 1.00 2.35 C ATOM 1891 CD1 ILE A1008 14.557 -12.634 -6.812 1.00 53.53 C ATOM 0 H ILE A1008 15.667 -15.068 -8.008 1.00 15.15 H new ATOM 0 HA ILE A1008 17.230 -12.922 -6.746 1.00 64.11 H new ATOM 0 HB ILE A1008 15.512 -15.180 -5.824 1.00 63.11 H new ATOM 0 HG12 ILE A1008 14.185 -13.508 -4.876 1.00 31.44 H new ATOM 0 HG13 ILE A1008 15.475 -12.321 -4.886 1.00 31.44 H new ATOM 0 HG21 ILE A1008 16.184 -14.695 -3.510 1.00 2.35 H new ATOM 0 HG22 ILE A1008 17.527 -15.356 -4.472 1.00 2.35 H new ATOM 0 HG23 ILE A1008 17.463 -13.614 -4.112 1.00 2.35 H new ATOM 0 HD11 ILE A1008 13.826 -11.838 -6.666 1.00 53.53 H new ATOM 0 HD12 ILE A1008 15.406 -12.248 -7.376 1.00 53.53 H new ATOM 0 HD13 ILE A1008 14.096 -13.453 -7.365 1.00 53.53 H new ATOM 1903 N THR A1009 19.363 -14.019 -6.361 1.00 11.40 N ATOM 1904 CA THR A1009 20.686 -14.610 -6.255 1.00 1.44 C ATOM 1905 C THR A1009 20.794 -15.450 -4.981 1.00 31.11 C ATOM 1906 O THR A1009 20.324 -15.040 -3.921 1.00 4.05 O ATOM 1907 CB THR A1009 21.716 -13.480 -6.326 1.00 75.02 C ATOM 1908 OG1 THR A1009 21.835 -13.207 -7.720 1.00 11.24 O ATOM 1909 CG2 THR A1009 23.116 -13.937 -5.915 1.00 25.51 C ATOM 0 H THR A1009 19.319 -13.027 -6.127 1.00 11.40 H new ATOM 0 HA THR A1009 20.879 -15.298 -7.078 1.00 1.44 H new ATOM 0 HB THR A1009 21.399 -12.659 -5.683 1.00 75.02 H new ATOM 0 HG1 THR A1009 22.483 -12.484 -7.858 1.00 11.24 H new ATOM 0 HG21 THR A1009 23.808 -13.097 -5.983 1.00 25.51 H new ATOM 0 HG22 THR A1009 23.092 -14.305 -4.889 1.00 25.51 H new ATOM 0 HG23 THR A1009 23.448 -14.735 -6.579 1.00 25.51 H new ATOM 1917 N PHE A1010 21.415 -16.611 -5.127 1.00 62.12 N ATOM 1918 CA PHE A1010 21.591 -17.513 -4.002 1.00 33.14 C ATOM 1919 C PHE A1010 23.066 -17.624 -3.613 1.00 23.13 C ATOM 1920 O PHE A1010 23.944 -17.219 -4.373 1.00 4.24 O ATOM 1921 CB PHE A1010 21.088 -18.888 -4.447 1.00 43.34 C ATOM 1922 CG PHE A1010 19.575 -19.069 -4.317 1.00 74.24 C ATOM 1923 CD1 PHE A1010 18.732 -18.108 -4.782 1.00 1.14 C ATOM 1924 CD2 PHE A1010 19.072 -20.192 -3.738 1.00 33.05 C ATOM 1925 CE1 PHE A1010 17.327 -18.276 -4.661 1.00 63.40 C ATOM 1926 CE2 PHE A1010 17.667 -20.360 -3.617 1.00 30.51 C ATOM 1927 CZ PHE A1010 16.824 -19.399 -4.081 1.00 64.22 C ATOM 0 H PHE A1010 21.803 -16.948 -6.008 1.00 62.12 H new ATOM 0 HA PHE A1010 21.042 -17.140 -3.137 1.00 33.14 H new ATOM 0 HB2 PHE A1010 21.375 -19.050 -5.486 1.00 43.34 H new ATOM 0 HB3 PHE A1010 21.588 -19.655 -3.855 1.00 43.34 H new ATOM 0 HD1 PHE A1010 19.131 -17.217 -5.243 1.00 1.14 H new ATOM 0 HD2 PHE A1010 19.741 -20.956 -3.370 1.00 33.05 H new ATOM 0 HE1 PHE A1010 16.658 -17.512 -5.029 1.00 63.40 H new ATOM 0 HE2 PHE A1010 17.268 -21.251 -3.156 1.00 30.51 H new ATOM 0 HZ PHE A1010 15.756 -19.527 -3.989 1.00 64.22 H new ATOM 1937 N PRO A1011 23.300 -18.190 -2.398 1.00 53.12 N ATOM 1938 CA PRO A1011 24.654 -18.359 -1.899 1.00 73.32 C ATOM 1939 C PRO A1011 25.360 -19.514 -2.612 1.00 22.43 C ATOM 1940 O PRO A1011 24.899 -19.982 -3.652 1.00 2.40 O ATOM 1941 CB PRO A1011 24.496 -18.590 -0.405 1.00 64.21 C ATOM 1942 CG PRO A1011 23.048 -19.004 -0.197 1.00 45.25 C ATOM 1943 CD PRO A1011 22.284 -18.681 -1.471 1.00 64.53 C ATOM 0 HA PRO A1011 25.285 -17.491 -2.089 1.00 73.32 H new ATOM 0 HB2 PRO A1011 25.178 -19.365 -0.056 1.00 64.21 H new ATOM 0 HB3 PRO A1011 24.728 -17.685 0.157 1.00 64.21 H new ATOM 0 HG2 PRO A1011 22.984 -20.069 0.027 1.00 45.25 H new ATOM 0 HG3 PRO A1011 22.617 -18.473 0.652 1.00 45.25 H new ATOM 0 HD2 PRO A1011 21.781 -19.564 -1.866 1.00 64.53 H new ATOM 0 HD3 PRO A1011 21.515 -17.930 -1.292 1.00 64.53 H new