USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 803 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 Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot -175:sc= 0.147 USER MOD Single : A 11 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.011) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.453 X(o=-0.45,f=-0.05) USER MOD Single : A 25 GLN : amide:sc= -1.75! C(o=-1.7!,f=-3.9!) USER MOD Single : A 28 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.034) USER MOD Single : A 30 TYR OH : rot 165:sc= -2.64! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00564 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -1.8! C(o=-1.8!,f=-3.6!) USER MOD Single : A 46 MET CE :methyl 161:sc= -0.0323 (180deg=-0.855) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.0299 K(o=-0.03,f=-1.3) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 51:sc= 0.167 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 89:sc= 0.889 USER MOD Single : A 66 MET CE :methyl -162:sc= -0.667 (180deg=-1.77) USER MOD Single : A 71 MET CE :methyl -147:sc= -4.19! (180deg=-5.86!) USER MOD Single : A 76 THR OG1 : rot -98:sc= 1.22 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 150:sc= -2.63! (180deg=-3.87!) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl -160:sc= -5.01! (180deg=-7.73!) USER MOD Single : A 95 GLN : amide:sc= -0.506 X(o=-0.51,f=-0.41) USER MOD Single : A 108 SER OG : rot 180:sc= -0.0801 USER MOD ----------------------------------------------------------------- ATOM 48 N LYS A 4 10.146 -3.268 -2.099 1.00 74.23 N ATOM 49 CA LYS A 4 11.232 -4.016 -2.723 1.00 53.11 C ATOM 50 C LYS A 4 11.003 -5.518 -2.593 1.00 23.13 C ATOM 51 O LYS A 4 10.897 -6.229 -3.592 1.00 33.14 O ATOM 52 CB LYS A 4 12.571 -3.636 -2.088 1.00 4.34 C ATOM 53 CG LYS A 4 13.348 -2.600 -2.880 1.00 14.11 C ATOM 54 CD LYS A 4 14.218 -1.743 -1.976 1.00 62.11 C ATOM 55 CE LYS A 4 13.380 -0.793 -1.134 1.00 4.50 C ATOM 56 NZ LYS A 4 13.833 0.619 -1.276 1.00 25.42 N1+ ATOM 0 HA LYS A 4 11.254 -3.760 -3.782 1.00 53.11 H new ATOM 0 HB2 LYS A 4 12.391 -3.253 -1.083 1.00 4.34 H new ATOM 0 HB3 LYS A 4 13.181 -4.533 -1.983 1.00 4.34 H new ATOM 0 HG2 LYS A 4 13.973 -3.100 -3.620 1.00 14.11 H new ATOM 0 HG3 LYS A 4 12.653 -1.963 -3.428 1.00 14.11 H new ATOM 0 HD2 LYS A 4 14.809 -2.385 -1.323 1.00 62.11 H new ATOM 0 HD3 LYS A 4 14.921 -1.171 -2.581 1.00 62.11 H new ATOM 0 HE2 LYS A 4 12.334 -0.871 -1.431 1.00 4.50 H new ATOM 0 HE3 LYS A 4 13.437 -1.089 -0.087 1.00 4.50 H new ATOM 0 HZ1 LYS A 4 13.237 1.236 -0.687 1.00 25.42 H new ATOM 0 HZ2 LYS A 4 14.823 0.698 -0.969 1.00 25.42 H new ATOM 0 HZ3 LYS A 4 13.755 0.910 -2.271 1.00 25.42 H new ATOM 70 N SER A 5 10.927 -5.995 -1.355 1.00 45.41 N ATOM 71 CA SER A 5 10.713 -7.414 -1.093 1.00 45.22 C ATOM 72 C SER A 5 9.617 -7.973 -1.996 1.00 54.53 C ATOM 73 O SER A 5 9.651 -9.142 -2.382 1.00 44.30 O ATOM 74 CB SER A 5 10.343 -7.634 0.374 1.00 53.55 C ATOM 75 OG SER A 5 10.012 -6.410 1.006 1.00 22.21 O ATOM 0 H SER A 5 11.010 -5.420 -0.517 1.00 45.41 H new ATOM 0 HA SER A 5 11.642 -7.942 -1.308 1.00 45.22 H new ATOM 0 HB2 SER A 5 9.499 -8.321 0.440 1.00 53.55 H new ATOM 0 HB3 SER A 5 11.177 -8.103 0.896 1.00 53.55 H new ATOM 0 HG SER A 5 9.855 -6.567 1.961 1.00 22.21 H new ATOM 81 N ASP A 6 8.645 -7.129 -2.327 1.00 52.44 N ATOM 82 CA ASP A 6 7.539 -7.538 -3.185 1.00 71.01 C ATOM 83 C ASP A 6 8.054 -8.126 -4.494 1.00 21.35 C ATOM 84 O ASP A 6 7.633 -9.206 -4.908 1.00 22.51 O ATOM 85 CB ASP A 6 6.623 -6.346 -3.473 1.00 22.02 C ATOM 86 CG ASP A 6 5.251 -6.775 -3.955 1.00 15.21 C ATOM 87 OD1 ASP A 6 4.391 -7.084 -3.104 1.00 43.34 O ATOM 88 OD2 ASP A 6 5.037 -6.801 -5.186 1.00 45.13 O1- ATOM 0 H ASP A 6 8.601 -6.159 -2.015 1.00 52.44 H new ATOM 0 HA ASP A 6 6.971 -8.307 -2.662 1.00 71.01 H new ATOM 0 HB2 ASP A 6 6.516 -5.746 -2.569 1.00 22.02 H new ATOM 0 HB3 ASP A 6 7.087 -5.708 -4.226 1.00 22.02 H new ATOM 93 N GLU A 7 8.966 -7.408 -5.141 1.00 34.23 N ATOM 94 CA GLU A 7 9.537 -7.859 -6.405 1.00 34.02 C ATOM 95 C GLU A 7 10.071 -9.284 -6.283 1.00 65.44 C ATOM 96 O GLU A 7 9.962 -10.082 -7.215 1.00 4.31 O ATOM 97 CB GLU A 7 10.659 -6.918 -6.849 1.00 60.23 C ATOM 98 CG GLU A 7 11.247 -7.269 -8.205 1.00 53.31 C ATOM 99 CD GLU A 7 10.512 -6.598 -9.350 1.00 52.50 C ATOM 100 OE1 GLU A 7 9.384 -6.112 -9.128 1.00 23.23 O1- ATOM 101 OE2 GLU A 7 11.067 -6.560 -10.469 1.00 42.03 O ATOM 0 H GLU A 7 9.325 -6.512 -4.811 1.00 34.23 H new ATOM 0 HA GLU A 7 8.746 -7.848 -7.155 1.00 34.02 H new ATOM 0 HB2 GLU A 7 10.275 -5.898 -6.882 1.00 60.23 H new ATOM 0 HB3 GLU A 7 11.453 -6.936 -6.103 1.00 60.23 H new ATOM 0 HG2 GLU A 7 12.296 -6.975 -8.229 1.00 53.31 H new ATOM 0 HG3 GLU A 7 11.216 -8.350 -8.342 1.00 53.31 H new ATOM 108 N VAL A 8 10.650 -9.595 -5.127 1.00 74.30 N ATOM 109 CA VAL A 8 11.200 -10.923 -4.882 1.00 35.34 C ATOM 110 C VAL A 8 10.171 -12.008 -5.177 1.00 41.31 C ATOM 111 O VAL A 8 10.387 -12.867 -6.032 1.00 60.20 O ATOM 112 CB VAL A 8 11.683 -11.070 -3.427 1.00 62.21 C ATOM 113 CG1 VAL A 8 12.179 -12.484 -3.168 1.00 15.23 C ATOM 114 CG2 VAL A 8 12.769 -10.051 -3.120 1.00 74.14 C ATOM 0 H VAL A 8 10.750 -8.946 -4.347 1.00 74.30 H new ATOM 0 HA VAL A 8 12.050 -11.042 -5.553 1.00 35.34 H new ATOM 0 HB VAL A 8 10.840 -10.879 -2.763 1.00 62.21 H new ATOM 0 HG11 VAL A 8 12.516 -12.568 -2.135 1.00 15.23 H new ATOM 0 HG12 VAL A 8 11.369 -13.192 -3.344 1.00 15.23 H new ATOM 0 HG13 VAL A 8 13.008 -12.707 -3.839 1.00 15.23 H new ATOM 0 HG21 VAL A 8 13.098 -10.170 -2.088 1.00 74.14 H new ATOM 0 HG22 VAL A 8 13.614 -10.207 -3.790 1.00 74.14 H new ATOM 0 HG23 VAL A 8 12.374 -9.045 -3.261 1.00 74.14 H new ATOM 124 N PHE A 9 9.052 -11.964 -4.463 1.00 5.40 N ATOM 125 CA PHE A 9 7.988 -12.944 -4.648 1.00 4.42 C ATOM 126 C PHE A 9 7.634 -13.091 -6.125 1.00 14.12 C ATOM 127 O PHE A 9 7.467 -14.202 -6.626 1.00 72.03 O ATOM 128 CB PHE A 9 6.746 -12.536 -3.853 1.00 14.30 C ATOM 129 CG PHE A 9 6.834 -12.867 -2.390 1.00 1.13 C ATOM 130 CD1 PHE A 9 7.160 -14.149 -1.975 1.00 71.40 C ATOM 131 CD2 PHE A 9 6.593 -11.898 -1.431 1.00 64.03 C ATOM 132 CE1 PHE A 9 7.241 -14.456 -0.631 1.00 70.23 C ATOM 133 CE2 PHE A 9 6.673 -12.199 -0.084 1.00 45.45 C ATOM 134 CZ PHE A 9 6.999 -13.480 0.316 1.00 3.11 C ATOM 0 H PHE A 9 8.858 -11.260 -3.751 1.00 5.40 H new ATOM 0 HA PHE A 9 8.347 -13.906 -4.281 1.00 4.42 H new ATOM 0 HB2 PHE A 9 6.589 -11.463 -3.966 1.00 14.30 H new ATOM 0 HB3 PHE A 9 5.873 -13.032 -4.278 1.00 14.30 H new ATOM 0 HD1 PHE A 9 7.353 -14.916 -2.711 1.00 71.40 H new ATOM 0 HD2 PHE A 9 6.339 -10.894 -1.739 1.00 64.03 H new ATOM 0 HE1 PHE A 9 7.494 -15.459 -0.320 1.00 70.23 H new ATOM 0 HE2 PHE A 9 6.481 -11.434 0.654 1.00 45.45 H new ATOM 0 HZ PHE A 9 7.065 -13.718 1.367 1.00 3.11 H new ATOM 144 N ALA A 10 7.521 -11.961 -6.815 1.00 54.15 N ATOM 145 CA ALA A 10 7.189 -11.963 -8.235 1.00 71.40 C ATOM 146 C ALA A 10 8.275 -12.655 -9.052 1.00 23.42 C ATOM 147 O ALA A 10 7.984 -13.422 -9.969 1.00 32.34 O ATOM 148 CB ALA A 10 6.980 -10.541 -8.730 1.00 11.12 C ATOM 0 H ALA A 10 7.654 -11.033 -6.414 1.00 54.15 H new ATOM 0 HA ALA A 10 6.262 -12.521 -8.365 1.00 71.40 H new ATOM 0 HB1 ALA A 10 6.733 -10.558 -9.791 1.00 11.12 H new ATOM 0 HB2 ALA A 10 6.164 -10.079 -8.175 1.00 11.12 H new ATOM 0 HB3 ALA A 10 7.893 -9.965 -8.579 1.00 11.12 H new ATOM 154 N LYS A 11 9.530 -12.378 -8.714 1.00 53.04 N ATOM 155 CA LYS A 11 10.662 -12.974 -9.414 1.00 71.11 C ATOM 156 C LYS A 11 10.633 -14.495 -9.300 1.00 34.23 C ATOM 157 O LYS A 11 10.682 -15.204 -10.306 1.00 35.32 O ATOM 158 CB LYS A 11 11.979 -12.434 -8.852 1.00 75.32 C ATOM 159 CG LYS A 11 12.269 -10.998 -9.256 1.00 51.04 C ATOM 160 CD LYS A 11 12.323 -10.845 -10.767 1.00 31.12 C ATOM 161 CE LYS A 11 11.189 -9.970 -11.279 1.00 2.51 C ATOM 162 NZ LYS A 11 10.791 -10.335 -12.666 1.00 32.05 N1+ ATOM 0 H LYS A 11 9.789 -11.744 -7.958 1.00 53.04 H new ATOM 0 HA LYS A 11 10.587 -12.705 -10.468 1.00 71.11 H new ATOM 0 HB2 LYS A 11 11.954 -12.499 -7.764 1.00 75.32 H new ATOM 0 HB3 LYS A 11 12.797 -13.070 -9.190 1.00 75.32 H new ATOM 0 HG2 LYS A 11 11.499 -10.342 -8.850 1.00 51.04 H new ATOM 0 HG3 LYS A 11 13.218 -10.682 -8.823 1.00 51.04 H new ATOM 0 HD2 LYS A 11 13.279 -10.409 -11.056 1.00 31.12 H new ATOM 0 HD3 LYS A 11 12.266 -11.827 -11.236 1.00 31.12 H new ATOM 0 HE2 LYS A 11 10.329 -10.066 -10.617 1.00 2.51 H new ATOM 0 HE3 LYS A 11 11.496 -8.925 -11.252 1.00 2.51 H new ATOM 0 HZ1 LYS A 11 10.237 -9.560 -13.083 1.00 32.05 H new ATOM 0 HZ2 LYS A 11 11.643 -10.500 -13.240 1.00 32.05 H new ATOM 0 HZ3 LYS A 11 10.215 -11.201 -12.645 1.00 32.05 H new ATOM 176 N ILE A 12 10.554 -14.989 -8.069 1.00 21.10 N ATOM 177 CA ILE A 12 10.517 -16.425 -7.825 1.00 64.54 C ATOM 178 C ILE A 12 9.393 -17.089 -8.613 1.00 34.03 C ATOM 179 O ILE A 12 9.625 -18.026 -9.376 1.00 74.53 O ATOM 180 CB ILE A 12 10.331 -16.737 -6.328 1.00 74.10 C ATOM 181 CG1 ILE A 12 11.599 -16.379 -5.550 1.00 64.04 C ATOM 182 CG2 ILE A 12 9.979 -18.204 -6.132 1.00 5.33 C ATOM 183 CD1 ILE A 12 11.500 -16.667 -4.067 1.00 2.33 C ATOM 0 H ILE A 12 10.514 -14.416 -7.226 1.00 21.10 H new ATOM 0 HA ILE A 12 11.475 -16.825 -8.156 1.00 64.54 H new ATOM 0 HB ILE A 12 9.509 -16.133 -5.945 1.00 74.10 H new ATOM 0 HG12 ILE A 12 12.439 -16.936 -5.965 1.00 64.04 H new ATOM 0 HG13 ILE A 12 11.816 -15.320 -5.693 1.00 64.04 H new ATOM 0 HG21 ILE A 12 9.851 -18.409 -5.069 1.00 5.33 H new ATOM 0 HG22 ILE A 12 9.052 -18.429 -6.659 1.00 5.33 H new ATOM 0 HG23 ILE A 12 10.782 -18.827 -6.527 1.00 5.33 H new ATOM 0 HD11 ILE A 12 12.434 -16.389 -3.579 1.00 2.33 H new ATOM 0 HD12 ILE A 12 10.681 -16.090 -3.638 1.00 2.33 H new ATOM 0 HD13 ILE A 12 11.314 -17.730 -3.914 1.00 2.33 H new ATOM 195 N ALA A 13 8.174 -16.593 -8.426 1.00 52.24 N ATOM 196 CA ALA A 13 7.014 -17.135 -9.122 1.00 63.33 C ATOM 197 C ALA A 13 7.232 -17.137 -10.632 1.00 65.53 C ATOM 198 O ALA A 13 7.063 -18.162 -11.293 1.00 52.01 O ATOM 199 CB ALA A 13 5.766 -16.339 -8.768 1.00 65.33 C ATOM 0 H ALA A 13 7.965 -15.817 -7.798 1.00 52.24 H new ATOM 0 HA ALA A 13 6.877 -18.167 -8.799 1.00 63.33 H new ATOM 0 HB1 ALA A 13 4.907 -16.755 -9.295 1.00 65.33 H new ATOM 0 HB2 ALA A 13 5.593 -16.393 -7.693 1.00 65.33 H new ATOM 0 HB3 ALA A 13 5.903 -15.298 -9.062 1.00 65.33 H new ATOM 205 N LYS A 14 7.607 -15.983 -11.172 1.00 61.31 N ATOM 206 CA LYS A 14 7.849 -15.851 -12.604 1.00 24.13 C ATOM 207 C LYS A 14 8.855 -16.892 -13.084 1.00 74.23 C ATOM 208 O LYS A 14 8.804 -17.334 -14.233 1.00 64.00 O ATOM 209 CB LYS A 14 8.359 -14.445 -12.928 1.00 55.21 C ATOM 210 CG LYS A 14 8.105 -14.022 -14.365 1.00 43.13 C ATOM 211 CD LYS A 14 9.301 -13.293 -14.952 1.00 15.10 C ATOM 212 CE LYS A 14 8.905 -12.447 -16.152 1.00 0.23 C ATOM 213 NZ LYS A 14 8.896 -13.242 -17.412 1.00 52.31 N1+ ATOM 0 H LYS A 14 7.750 -15.125 -10.640 1.00 61.31 H new ATOM 0 HA LYS A 14 6.905 -16.017 -13.124 1.00 24.13 H new ATOM 0 HB2 LYS A 14 7.881 -13.731 -12.258 1.00 55.21 H new ATOM 0 HB3 LYS A 14 9.430 -14.401 -12.729 1.00 55.21 H new ATOM 0 HG2 LYS A 14 7.881 -14.901 -14.970 1.00 43.13 H new ATOM 0 HG3 LYS A 14 7.228 -13.376 -14.405 1.00 43.13 H new ATOM 0 HD2 LYS A 14 9.751 -12.657 -14.190 1.00 15.10 H new ATOM 0 HD3 LYS A 14 10.059 -14.017 -15.250 1.00 15.10 H new ATOM 0 HE2 LYS A 14 7.916 -12.020 -15.985 1.00 0.23 H new ATOM 0 HE3 LYS A 14 9.599 -11.613 -16.254 1.00 0.23 H new ATOM 0 HZ1 LYS A 14 8.621 -12.630 -18.207 1.00 52.31 H new ATOM 0 HZ2 LYS A 14 9.846 -13.629 -17.585 1.00 52.31 H new ATOM 0 HZ3 LYS A 14 8.215 -14.023 -17.325 1.00 52.31 H new ATOM 227 N ARG A 15 9.767 -17.278 -12.199 1.00 24.20 N ATOM 228 CA ARG A 15 10.784 -18.268 -12.533 1.00 2.23 C ATOM 229 C ARG A 15 10.178 -19.666 -12.614 1.00 74.55 C ATOM 230 O ARG A 15 10.607 -20.494 -13.419 1.00 13.42 O ATOM 231 CB ARG A 15 11.907 -18.247 -11.493 1.00 52.33 C ATOM 232 CG ARG A 15 13.299 -18.191 -12.101 1.00 60.13 C ATOM 233 CD ARG A 15 13.504 -16.918 -12.908 1.00 64.22 C ATOM 234 NE ARG A 15 13.539 -17.179 -14.344 1.00 31.41 N ATOM 235 CZ ARG A 15 13.659 -16.226 -15.261 1.00 3.45 C ATOM 236 NH1 ARG A 15 13.756 -14.957 -14.895 1.00 71.10 N1+ ATOM 237 NH2 ARG A 15 13.684 -16.544 -16.550 1.00 54.20 N ATOM 0 H ARG A 15 9.823 -16.921 -11.245 1.00 24.20 H new ATOM 0 HA ARG A 15 11.196 -18.013 -13.509 1.00 2.23 H new ATOM 0 HB2 ARG A 15 11.770 -17.385 -10.840 1.00 52.33 H new ATOM 0 HB3 ARG A 15 11.828 -19.136 -10.868 1.00 52.33 H new ATOM 0 HG2 ARG A 15 14.046 -18.245 -11.309 1.00 60.13 H new ATOM 0 HG3 ARG A 15 13.452 -19.059 -12.743 1.00 60.13 H new ATOM 0 HD2 ARG A 15 12.700 -16.216 -12.687 1.00 64.22 H new ATOM 0 HD3 ARG A 15 14.436 -16.442 -12.603 1.00 64.22 H new ATOM 0 HE ARG A 15 13.467 -18.146 -14.660 1.00 31.41 H new ATOM 0 HH11 ARG A 15 13.739 -14.709 -13.906 1.00 71.10 H new ATOM 0 HH12 ARG A 15 13.848 -14.228 -15.602 1.00 71.10 H new ATOM 0 HH21 ARG A 15 13.611 -17.520 -16.836 1.00 54.20 H new ATOM 0 HH22 ARG A 15 13.776 -15.812 -17.254 1.00 54.20 H new ATOM 251 N LEU A 16 9.180 -19.921 -11.776 1.00 62.42 N ATOM 252 CA LEU A 16 8.515 -21.220 -11.752 1.00 42.54 C ATOM 253 C LEU A 16 7.733 -21.454 -13.041 1.00 3.14 C ATOM 254 O LEU A 16 7.427 -22.593 -13.393 1.00 45.05 O ATOM 255 CB LEU A 16 7.575 -21.310 -10.548 1.00 71.15 C ATOM 256 CG LEU A 16 8.133 -20.799 -9.221 1.00 53.24 C ATOM 257 CD1 LEU A 16 7.228 -21.206 -8.068 1.00 44.00 C ATOM 258 CD2 LEU A 16 9.546 -21.319 -9.000 1.00 22.33 C ATOM 0 H LEU A 16 8.813 -19.247 -11.104 1.00 62.42 H new ATOM 0 HA LEU A 16 9.280 -21.992 -11.667 1.00 42.54 H new ATOM 0 HB2 LEU A 16 6.669 -20.750 -10.778 1.00 71.15 H new ATOM 0 HB3 LEU A 16 7.282 -22.352 -10.419 1.00 71.15 H new ATOM 0 HG LEU A 16 8.170 -19.710 -9.261 1.00 53.24 H new ATOM 0 HD11 LEU A 16 7.642 -20.833 -7.131 1.00 44.00 H new ATOM 0 HD12 LEU A 16 6.234 -20.784 -8.219 1.00 44.00 H new ATOM 0 HD13 LEU A 16 7.158 -22.293 -8.026 1.00 44.00 H new ATOM 0 HD21 LEU A 16 9.927 -20.945 -8.050 1.00 22.33 H new ATOM 0 HD22 LEU A 16 9.534 -22.409 -8.982 1.00 22.33 H new ATOM 0 HD23 LEU A 16 10.191 -20.977 -9.810 1.00 22.33 H new ATOM 270 N GLU A 17 7.416 -20.369 -13.741 1.00 24.21 N ATOM 271 CA GLU A 17 6.671 -20.459 -14.992 1.00 73.03 C ATOM 272 C GLU A 17 7.393 -21.358 -15.991 1.00 53.54 C ATOM 273 O GLU A 17 6.776 -21.917 -16.898 1.00 53.11 O ATOM 274 CB GLU A 17 6.472 -19.066 -15.593 1.00 62.44 C ATOM 275 CG GLU A 17 5.840 -18.073 -14.633 1.00 32.22 C ATOM 276 CD GLU A 17 5.747 -16.676 -15.215 1.00 55.30 C ATOM 277 OE1 GLU A 17 6.503 -16.378 -16.164 1.00 64.43 O ATOM 278 OE2 GLU A 17 4.921 -15.881 -14.722 1.00 71.21 O1- ATOM 0 H GLU A 17 7.663 -19.419 -13.464 1.00 24.21 H new ATOM 0 HA GLU A 17 5.696 -20.896 -14.775 1.00 73.03 H new ATOM 0 HB2 GLU A 17 7.437 -18.679 -15.919 1.00 62.44 H new ATOM 0 HB3 GLU A 17 5.845 -19.149 -16.481 1.00 62.44 H new ATOM 0 HG2 GLU A 17 4.841 -18.418 -14.365 1.00 32.22 H new ATOM 0 HG3 GLU A 17 6.424 -18.041 -13.713 1.00 32.22 H new ATOM 285 N SER A 18 8.705 -21.492 -15.819 1.00 60.23 N ATOM 286 CA SER A 18 9.512 -22.319 -16.707 1.00 50.12 C ATOM 287 C SER A 18 9.411 -23.791 -16.320 1.00 44.52 C ATOM 288 O SER A 18 9.731 -24.677 -17.113 1.00 12.43 O ATOM 289 CB SER A 18 10.974 -21.869 -16.670 1.00 53.43 C ATOM 290 OG SER A 18 11.202 -20.804 -17.576 1.00 62.03 O ATOM 0 H SER A 18 9.231 -21.038 -15.072 1.00 60.23 H new ATOM 0 HA SER A 18 9.129 -22.201 -17.721 1.00 50.12 H new ATOM 0 HB2 SER A 18 11.235 -21.554 -15.660 1.00 53.43 H new ATOM 0 HB3 SER A 18 11.623 -22.709 -16.920 1.00 53.43 H new ATOM 0 HG SER A 18 12.143 -20.533 -17.532 1.00 62.03 H new ATOM 296 N ILE A 19 8.965 -24.045 -15.094 1.00 61.30 N ATOM 297 CA ILE A 19 8.821 -25.409 -14.601 1.00 41.24 C ATOM 298 C ILE A 19 8.043 -26.272 -15.589 1.00 31.14 C ATOM 299 O ILE A 19 6.822 -26.163 -15.695 1.00 72.51 O ATOM 300 CB ILE A 19 8.109 -25.442 -13.236 1.00 11.12 C ATOM 301 CG1 ILE A 19 8.995 -24.815 -12.158 1.00 33.03 C ATOM 302 CG2 ILE A 19 7.743 -26.871 -12.864 1.00 52.32 C ATOM 303 CD1 ILE A 19 8.305 -24.662 -10.821 1.00 70.51 C ATOM 0 H ILE A 19 8.697 -23.324 -14.424 1.00 61.30 H new ATOM 0 HA ILE A 19 9.828 -25.811 -14.486 1.00 41.24 H new ATOM 0 HB ILE A 19 7.191 -24.859 -13.308 1.00 11.12 H new ATOM 0 HG12 ILE A 19 9.886 -25.429 -12.029 1.00 33.03 H new ATOM 0 HG13 ILE A 19 9.330 -23.835 -12.499 1.00 33.03 H new ATOM 0 HG21 ILE A 19 7.241 -26.878 -11.897 1.00 52.32 H new ATOM 0 HG22 ILE A 19 7.078 -27.285 -13.622 1.00 52.32 H new ATOM 0 HG23 ILE A 19 8.648 -27.475 -12.807 1.00 52.32 H new ATOM 0 HD11 ILE A 19 8.993 -24.211 -10.106 1.00 70.51 H new ATOM 0 HD12 ILE A 19 7.429 -24.023 -10.935 1.00 70.51 H new ATOM 0 HD13 ILE A 19 7.995 -25.642 -10.458 1.00 70.51 H new ATOM 315 N ASP A 20 8.758 -27.129 -16.307 1.00 31.11 N ATOM 316 CA ASP A 20 8.135 -28.013 -17.285 1.00 60.31 C ATOM 317 C ASP A 20 8.220 -29.468 -16.834 1.00 52.22 C ATOM 318 O ASP A 20 9.202 -29.900 -16.229 1.00 2.52 O ATOM 319 CB ASP A 20 8.805 -27.851 -18.652 1.00 72.22 C ATOM 320 CG ASP A 20 7.853 -27.315 -19.702 1.00 72.21 C ATOM 321 OD1 ASP A 20 7.213 -26.273 -19.445 1.00 54.13 O1- ATOM 322 OD2 ASP A 20 7.746 -27.936 -20.780 1.00 1.44 O ATOM 0 H ASP A 20 9.770 -27.231 -16.231 1.00 31.11 H new ATOM 0 HA ASP A 20 7.084 -27.737 -17.369 1.00 60.31 H new ATOM 0 HB2 ASP A 20 9.656 -27.176 -18.559 1.00 72.22 H new ATOM 0 HB3 ASP A 20 9.196 -28.815 -18.978 1.00 72.22 H new ATOM 327 N PRO A 21 7.167 -30.243 -17.132 1.00 3.01 N ATOM 328 CA PRO A 21 7.097 -31.661 -16.766 1.00 51.32 C ATOM 329 C PRO A 21 8.076 -32.514 -17.565 1.00 31.01 C ATOM 330 O PRO A 21 8.341 -33.664 -17.214 1.00 73.52 O ATOM 331 CB PRO A 21 5.655 -32.044 -17.103 1.00 40.32 C ATOM 332 CG PRO A 21 5.243 -31.079 -18.160 1.00 41.15 C ATOM 333 CD PRO A 21 5.962 -29.795 -17.851 1.00 41.12 C ATOM 0 HA PRO A 21 7.363 -31.826 -15.722 1.00 51.32 H new ATOM 0 HB2 PRO A 21 5.592 -33.072 -17.459 1.00 40.32 H new ATOM 0 HB3 PRO A 21 5.011 -31.970 -16.227 1.00 40.32 H new ATOM 0 HG2 PRO A 21 5.510 -31.447 -19.150 1.00 41.15 H new ATOM 0 HG3 PRO A 21 4.163 -30.932 -18.155 1.00 41.15 H new ATOM 0 HD2 PRO A 21 6.216 -29.248 -18.759 1.00 41.12 H new ATOM 0 HD3 PRO A 21 5.352 -29.130 -17.239 1.00 41.12 H new ATOM 341 N ALA A 22 8.610 -31.944 -18.640 1.00 74.25 N ATOM 342 CA ALA A 22 9.562 -32.653 -19.487 1.00 71.25 C ATOM 343 C ALA A 22 10.930 -32.745 -18.818 1.00 24.44 C ATOM 344 O ALA A 22 11.828 -33.422 -19.314 1.00 64.13 O ATOM 345 CB ALA A 22 9.679 -31.965 -20.839 1.00 74.40 C ATOM 0 H ALA A 22 8.400 -30.994 -18.945 1.00 74.25 H new ATOM 0 HA ALA A 22 9.192 -33.667 -19.638 1.00 71.25 H new ATOM 0 HB1 ALA A 22 10.393 -32.505 -21.461 1.00 74.40 H new ATOM 0 HB2 ALA A 22 8.705 -31.956 -21.328 1.00 74.40 H new ATOM 0 HB3 ALA A 22 10.023 -30.940 -20.697 1.00 74.40 H new ATOM 351 N ASN A 23 11.078 -32.061 -17.689 1.00 31.42 N ATOM 352 CA ASN A 23 12.338 -32.065 -16.953 1.00 33.21 C ATOM 353 C ASN A 23 12.197 -31.314 -15.631 1.00 71.22 C ATOM 354 O ASN A 23 12.164 -30.084 -15.606 1.00 21.44 O ATOM 355 CB ASN A 23 13.447 -31.435 -17.795 1.00 24.34 C ATOM 356 CG ASN A 23 14.719 -31.209 -17.002 1.00 24.24 C ATOM 357 OD1 ASN A 23 15.602 -32.066 -16.965 1.00 64.52 O ATOM 358 ND2 ASN A 23 14.818 -30.050 -16.360 1.00 44.13 N ATOM 0 H ASN A 23 10.342 -31.497 -17.263 1.00 31.42 H new ATOM 0 HA ASN A 23 12.601 -33.100 -16.737 1.00 33.21 H new ATOM 0 HB2 ASN A 23 13.663 -32.080 -18.647 1.00 24.34 H new ATOM 0 HB3 ASN A 23 13.098 -30.483 -18.196 1.00 24.34 H new ATOM 0 HD21 ASN A 23 15.651 -29.842 -15.809 1.00 44.13 H new ATOM 0 HD22 ASN A 23 14.061 -29.368 -16.418 1.00 44.13 H new ATOM 365 N ARG A 24 12.118 -32.063 -14.537 1.00 31.34 N ATOM 366 CA ARG A 24 11.981 -31.468 -13.212 1.00 3.31 C ATOM 367 C ARG A 24 13.090 -31.954 -12.283 1.00 41.40 C ATOM 368 O ARG A 24 13.915 -32.782 -12.664 1.00 60.52 O ATOM 369 CB ARG A 24 10.615 -31.809 -12.616 1.00 43.24 C ATOM 370 CG ARG A 24 9.451 -31.502 -13.545 1.00 73.04 C ATOM 371 CD ARG A 24 8.763 -30.201 -13.166 1.00 15.52 C ATOM 372 NE ARG A 24 9.650 -29.309 -12.422 1.00 53.32 N ATOM 373 CZ ARG A 24 10.482 -28.451 -13.000 1.00 20.53 C ATOM 374 NH1 ARG A 24 10.542 -28.367 -14.322 1.00 42.41 N1+ ATOM 375 NH2 ARG A 24 11.258 -27.672 -12.255 1.00 32.13 N ATOM 0 H ARG A 24 12.146 -33.083 -14.541 1.00 31.34 H new ATOM 0 HA ARG A 24 12.064 -30.386 -13.315 1.00 3.31 H new ATOM 0 HB2 ARG A 24 10.594 -32.868 -12.359 1.00 43.24 H new ATOM 0 HB3 ARG A 24 10.484 -31.253 -11.688 1.00 43.24 H new ATOM 0 HG2 ARG A 24 9.811 -31.439 -14.572 1.00 73.04 H new ATOM 0 HG3 ARG A 24 8.731 -32.319 -13.510 1.00 73.04 H new ATOM 0 HD2 ARG A 24 8.417 -29.698 -14.069 1.00 15.52 H new ATOM 0 HD3 ARG A 24 7.881 -30.419 -12.564 1.00 15.52 H new ATOM 0 HE ARG A 24 9.629 -29.348 -11.403 1.00 53.32 H new ATOM 0 HH11 ARG A 24 9.948 -28.963 -14.898 1.00 42.41 H new ATOM 0 HH12 ARG A 24 11.182 -27.707 -14.763 1.00 42.41 H new ATOM 0 HH21 ARG A 24 11.215 -27.733 -11.238 1.00 32.13 H new ATOM 0 HH22 ARG A 24 11.897 -27.013 -12.700 1.00 32.13 H new ATOM 389 N GLN A 25 13.101 -31.430 -11.061 1.00 23.44 N ATOM 390 CA GLN A 25 14.108 -31.808 -10.077 1.00 3.41 C ATOM 391 C GLN A 25 13.459 -32.434 -8.846 1.00 43.32 C ATOM 392 O GLN A 25 13.962 -33.415 -8.297 1.00 3.03 O ATOM 393 CB GLN A 25 14.936 -30.589 -9.668 1.00 73.40 C ATOM 394 CG GLN A 25 15.936 -30.150 -10.725 1.00 65.05 C ATOM 395 CD GLN A 25 17.067 -29.321 -10.149 1.00 54.13 C ATOM 396 OE1 GLN A 25 16.851 -28.466 -9.290 1.00 72.12 O ATOM 397 NE2 GLN A 25 18.283 -29.571 -10.621 1.00 12.31 N ATOM 0 H GLN A 25 12.424 -30.743 -10.729 1.00 23.44 H new ATOM 0 HA GLN A 25 14.766 -32.547 -10.534 1.00 3.41 H new ATOM 0 HB2 GLN A 25 14.263 -29.760 -9.450 1.00 73.40 H new ATOM 0 HB3 GLN A 25 15.471 -30.816 -8.746 1.00 73.40 H new ATOM 0 HG2 GLN A 25 16.350 -31.031 -11.216 1.00 65.05 H new ATOM 0 HG3 GLN A 25 15.419 -29.571 -11.490 1.00 65.05 H new ATOM 0 HE21 GLN A 25 18.416 -30.289 -11.333 1.00 12.31 H new ATOM 0 HE22 GLN A 25 19.084 -29.045 -10.271 1.00 12.31 H new ATOM 406 N VAL A 26 12.339 -31.860 -8.418 1.00 53.35 N ATOM 407 CA VAL A 26 11.621 -32.362 -7.253 1.00 53.24 C ATOM 408 C VAL A 26 10.334 -31.578 -7.021 1.00 23.30 C ATOM 409 O VAL A 26 10.337 -30.348 -7.022 1.00 23.40 O ATOM 410 CB VAL A 26 12.490 -32.287 -5.983 1.00 62.44 C ATOM 411 CG1 VAL A 26 12.466 -30.883 -5.402 1.00 24.22 C ATOM 412 CG2 VAL A 26 12.019 -33.306 -4.957 1.00 61.33 C ATOM 0 H VAL A 26 11.910 -31.047 -8.861 1.00 53.35 H new ATOM 0 HA VAL A 26 11.377 -33.405 -7.457 1.00 53.24 H new ATOM 0 HB VAL A 26 13.519 -32.524 -6.252 1.00 62.44 H new ATOM 0 HG11 VAL A 26 13.085 -30.850 -4.506 1.00 24.22 H new ATOM 0 HG12 VAL A 26 12.854 -30.178 -6.138 1.00 24.22 H new ATOM 0 HG13 VAL A 26 11.442 -30.613 -5.146 1.00 24.22 H new ATOM 0 HG21 VAL A 26 12.643 -33.240 -4.066 1.00 61.33 H new ATOM 0 HG22 VAL A 26 10.982 -33.101 -4.690 1.00 61.33 H new ATOM 0 HG23 VAL A 26 12.094 -34.308 -5.379 1.00 61.33 H new ATOM 422 N GLU A 27 9.236 -32.300 -6.823 1.00 51.22 N ATOM 423 CA GLU A 27 7.940 -31.671 -6.591 1.00 53.14 C ATOM 424 C GLU A 27 7.484 -31.883 -5.151 1.00 20.43 C ATOM 425 O GLU A 27 7.408 -33.014 -4.671 1.00 21.25 O ATOM 426 CB GLU A 27 6.895 -32.234 -7.556 1.00 64.43 C ATOM 427 CG GLU A 27 7.061 -31.744 -8.985 1.00 1.54 C ATOM 428 CD GLU A 27 5.844 -32.031 -9.844 1.00 23.31 C ATOM 429 OE1 GLU A 27 4.719 -32.022 -9.303 1.00 13.03 O ATOM 430 OE2 GLU A 27 6.016 -32.266 -11.059 1.00 0.53 O1- ATOM 0 H GLU A 27 9.217 -33.320 -6.818 1.00 51.22 H new ATOM 0 HA GLU A 27 8.047 -30.601 -6.767 1.00 53.14 H new ATOM 0 HB2 GLU A 27 6.951 -33.322 -7.545 1.00 64.43 H new ATOM 0 HB3 GLU A 27 5.901 -31.963 -7.201 1.00 64.43 H new ATOM 0 HG2 GLU A 27 7.251 -30.671 -8.978 1.00 1.54 H new ATOM 0 HG3 GLU A 27 7.935 -32.220 -9.429 1.00 1.54 H new ATOM 437 N HIS A 28 7.182 -30.784 -4.465 1.00 1.34 N ATOM 438 CA HIS A 28 6.733 -30.849 -3.079 1.00 23.23 C ATOM 439 C HIS A 28 6.238 -29.485 -2.605 1.00 12.45 C ATOM 440 O HIS A 28 6.265 -28.508 -3.354 1.00 2.54 O ATOM 441 CB HIS A 28 7.866 -31.334 -2.174 1.00 64.15 C ATOM 442 CG HIS A 28 7.662 -32.723 -1.652 1.00 70.02 C ATOM 443 ND1 HIS A 28 8.631 -33.701 -1.718 1.00 64.13 N ATOM 444 CD2 HIS A 28 6.593 -33.293 -1.050 1.00 51.55 C ATOM 445 CE1 HIS A 28 8.166 -34.815 -1.181 1.00 15.35 C ATOM 446 NE2 HIS A 28 6.931 -34.594 -0.767 1.00 63.45 N ATOM 0 H HIS A 28 7.240 -29.840 -4.846 1.00 1.34 H new ATOM 0 HA HIS A 28 5.906 -31.557 -3.024 1.00 23.23 H new ATOM 0 HB2 HIS A 28 8.804 -31.297 -2.728 1.00 64.15 H new ATOM 0 HB3 HIS A 28 7.966 -30.649 -1.332 1.00 64.15 H new ATOM 0 HD2 HIS A 28 5.650 -32.814 -0.832 1.00 51.55 H new ATOM 0 HE1 HIS A 28 8.704 -35.748 -1.095 1.00 15.35 H new ATOM 0 HE2 HIS A 28 6.327 -35.278 -0.311 1.00 63.45 H new ATOM 454 N VAL A 29 5.784 -29.426 -1.356 1.00 54.23 N ATOM 455 CA VAL A 29 5.283 -28.184 -0.782 1.00 31.14 C ATOM 456 C VAL A 29 6.328 -27.533 0.117 1.00 41.44 C ATOM 457 O VAL A 29 6.945 -28.197 0.951 1.00 25.11 O ATOM 458 CB VAL A 29 3.997 -28.419 0.032 1.00 21.50 C ATOM 459 CG1 VAL A 29 3.696 -27.220 0.915 1.00 32.45 C ATOM 460 CG2 VAL A 29 2.828 -28.715 -0.895 1.00 5.11 C ATOM 0 H VAL A 29 5.753 -30.225 -0.723 1.00 54.23 H new ATOM 0 HA VAL A 29 5.059 -27.519 -1.616 1.00 31.14 H new ATOM 0 HB VAL A 29 4.149 -29.284 0.677 1.00 21.50 H new ATOM 0 HG11 VAL A 29 2.784 -27.406 1.482 1.00 32.45 H new ATOM 0 HG12 VAL A 29 4.525 -27.058 1.604 1.00 32.45 H new ATOM 0 HG13 VAL A 29 3.563 -26.335 0.293 1.00 32.45 H new ATOM 0 HG21 VAL A 29 1.927 -28.879 -0.304 1.00 5.11 H new ATOM 0 HG22 VAL A 29 2.673 -27.870 -1.566 1.00 5.11 H new ATOM 0 HG23 VAL A 29 3.045 -29.609 -1.480 1.00 5.11 H new ATOM 470 N TYR A 30 6.522 -26.230 -0.057 1.00 54.15 N ATOM 471 CA TYR A 30 7.494 -25.489 0.738 1.00 42.42 C ATOM 472 C TYR A 30 6.821 -24.352 1.500 1.00 53.31 C ATOM 473 O TYR A 30 5.722 -23.921 1.153 1.00 71.04 O ATOM 474 CB TYR A 30 8.600 -24.932 -0.160 1.00 40.44 C ATOM 475 CG TYR A 30 9.474 -26.001 -0.779 1.00 1.42 C ATOM 476 CD1 TYR A 30 8.956 -26.900 -1.703 1.00 63.54 C ATOM 477 CD2 TYR A 30 10.816 -26.111 -0.439 1.00 23.33 C ATOM 478 CE1 TYR A 30 9.749 -27.877 -2.270 1.00 50.54 C ATOM 479 CE2 TYR A 30 11.618 -27.084 -1.002 1.00 42.43 C ATOM 480 CZ TYR A 30 11.080 -27.966 -1.917 1.00 32.12 C ATOM 481 OH TYR A 30 11.875 -28.938 -2.481 1.00 33.15 O ATOM 0 H TYR A 30 6.019 -25.665 -0.742 1.00 54.15 H new ATOM 0 HA TYR A 30 7.934 -26.176 1.461 1.00 42.42 H new ATOM 0 HB2 TYR A 30 8.147 -24.340 -0.955 1.00 40.44 H new ATOM 0 HB3 TYR A 30 9.225 -24.257 0.424 1.00 40.44 H new ATOM 0 HD1 TYR A 30 7.915 -26.833 -1.982 1.00 63.54 H new ATOM 0 HD2 TYR A 30 11.240 -25.424 0.278 1.00 23.33 H new ATOM 0 HE1 TYR A 30 9.330 -28.568 -2.986 1.00 50.54 H new ATOM 0 HE2 TYR A 30 12.660 -27.154 -0.728 1.00 42.43 H new ATOM 0 HH TYR A 30 12.818 -28.723 -2.320 1.00 33.15 H new ATOM 491 N LYS A 31 7.490 -23.869 2.541 1.00 21.53 N ATOM 492 CA LYS A 31 6.961 -22.780 3.353 1.00 33.30 C ATOM 493 C LYS A 31 7.977 -21.649 3.478 1.00 72.40 C ATOM 494 O LYS A 31 9.161 -21.890 3.715 1.00 42.23 O ATOM 495 CB LYS A 31 6.579 -23.292 4.744 1.00 30.01 C ATOM 496 CG LYS A 31 5.380 -22.581 5.347 1.00 12.24 C ATOM 497 CD LYS A 31 5.065 -23.100 6.739 1.00 72.33 C ATOM 498 CE LYS A 31 5.913 -22.409 7.796 1.00 1.42 C ATOM 499 NZ LYS A 31 5.570 -22.868 9.170 1.00 74.42 N1+ ATOM 0 H LYS A 31 8.401 -24.215 2.843 1.00 21.53 H new ATOM 0 HA LYS A 31 6.071 -22.392 2.858 1.00 33.30 H new ATOM 0 HB2 LYS A 31 6.365 -24.359 4.683 1.00 30.01 H new ATOM 0 HB3 LYS A 31 7.433 -23.176 5.412 1.00 30.01 H new ATOM 0 HG2 LYS A 31 5.577 -21.510 5.393 1.00 12.24 H new ATOM 0 HG3 LYS A 31 4.512 -22.718 4.702 1.00 12.24 H new ATOM 0 HD2 LYS A 31 4.009 -22.941 6.957 1.00 72.33 H new ATOM 0 HD3 LYS A 31 5.240 -24.175 6.776 1.00 72.33 H new ATOM 0 HE2 LYS A 31 6.967 -22.605 7.600 1.00 1.42 H new ATOM 0 HE3 LYS A 31 5.771 -21.330 7.727 1.00 1.42 H new ATOM 0 HZ1 LYS A 31 6.170 -22.374 9.861 1.00 74.42 H new ATOM 0 HZ2 LYS A 31 4.570 -22.659 9.367 1.00 74.42 H new ATOM 0 HZ3 LYS A 31 5.730 -23.893 9.244 1.00 74.42 H new ATOM 513 N PHE A 32 7.507 -20.417 3.318 1.00 21.34 N ATOM 514 CA PHE A 32 8.376 -19.249 3.412 1.00 31.43 C ATOM 515 C PHE A 32 7.834 -18.250 4.430 1.00 73.13 C ATOM 516 O PHE A 32 6.701 -17.781 4.312 1.00 30.25 O ATOM 517 CB PHE A 32 8.516 -18.578 2.045 1.00 2.44 C ATOM 518 CG PHE A 32 9.929 -18.543 1.537 1.00 52.35 C ATOM 519 CD1 PHE A 32 10.626 -19.719 1.308 1.00 25.20 C ATOM 520 CD2 PHE A 32 10.560 -17.336 1.286 1.00 34.32 C ATOM 521 CE1 PHE A 32 11.927 -19.691 0.840 1.00 15.23 C ATOM 522 CE2 PHE A 32 11.859 -17.301 0.816 1.00 31.04 C ATOM 523 CZ PHE A 32 12.543 -18.480 0.594 1.00 34.24 C ATOM 0 H PHE A 32 6.529 -20.201 3.123 1.00 21.34 H new ATOM 0 HA PHE A 32 9.358 -19.584 3.745 1.00 31.43 H new ATOM 0 HB2 PHE A 32 7.892 -19.106 1.324 1.00 2.44 H new ATOM 0 HB3 PHE A 32 8.136 -17.558 2.109 1.00 2.44 H new ATOM 0 HD1 PHE A 32 10.147 -20.668 1.497 1.00 25.20 H new ATOM 0 HD2 PHE A 32 10.030 -16.411 1.460 1.00 34.32 H new ATOM 0 HE1 PHE A 32 12.460 -20.614 0.667 1.00 15.23 H new ATOM 0 HE2 PHE A 32 12.339 -16.353 0.623 1.00 31.04 H new ATOM 0 HZ PHE A 32 13.559 -18.455 0.228 1.00 34.24 H new ATOM 533 N ARG A 33 8.650 -17.929 5.429 1.00 2.52 N ATOM 534 CA ARG A 33 8.252 -16.985 6.467 1.00 14.43 C ATOM 535 C ARG A 33 8.979 -15.655 6.301 1.00 75.14 C ATOM 536 O ARG A 33 10.200 -15.618 6.147 1.00 61.42 O ATOM 537 CB ARG A 33 8.541 -17.568 7.852 1.00 2.14 C ATOM 538 CG ARG A 33 7.378 -18.348 8.440 1.00 20.25 C ATOM 539 CD ARG A 33 7.717 -18.902 9.815 1.00 10.22 C ATOM 540 NE ARG A 33 8.145 -17.853 10.738 1.00 11.44 N ATOM 541 CZ ARG A 33 8.774 -18.094 11.883 1.00 10.32 C ATOM 542 NH1 ARG A 33 9.048 -19.339 12.243 1.00 23.32 N1+ ATOM 543 NH2 ARG A 33 9.131 -17.086 12.669 1.00 25.32 N ATOM 0 H ARG A 33 9.590 -18.308 5.542 1.00 2.52 H new ATOM 0 HA ARG A 33 7.181 -16.807 6.371 1.00 14.43 H new ATOM 0 HB2 ARG A 33 9.410 -18.222 7.787 1.00 2.14 H new ATOM 0 HB3 ARG A 33 8.803 -16.756 8.531 1.00 2.14 H new ATOM 0 HG2 ARG A 33 6.504 -17.701 8.513 1.00 20.25 H new ATOM 0 HG3 ARG A 33 7.113 -19.167 7.772 1.00 20.25 H new ATOM 0 HD2 ARG A 33 6.845 -19.412 10.225 1.00 10.22 H new ATOM 0 HD3 ARG A 33 8.507 -19.647 9.721 1.00 10.22 H new ATOM 0 HE ARG A 33 7.950 -16.883 10.490 1.00 11.44 H new ATOM 0 HH11 ARG A 33 8.776 -20.116 11.640 1.00 23.32 H new ATOM 0 HH12 ARG A 33 9.531 -19.521 13.123 1.00 23.32 H new ATOM 0 HH21 ARG A 33 8.922 -16.126 12.394 1.00 25.32 H new ATOM 0 HH22 ARG A 33 9.614 -17.271 13.548 1.00 25.32 H new ATOM 557 N ILE A 34 8.220 -14.564 6.333 1.00 62.22 N ATOM 558 CA ILE A 34 8.793 -13.231 6.186 1.00 24.14 C ATOM 559 C ILE A 34 8.707 -12.450 7.492 1.00 22.22 C ATOM 560 O ILE A 34 7.723 -11.755 7.750 1.00 15.22 O ATOM 561 CB ILE A 34 8.085 -12.434 5.075 1.00 45.40 C ATOM 562 CG1 ILE A 34 8.112 -13.214 3.759 1.00 40.21 C ATOM 563 CG2 ILE A 34 8.737 -11.071 4.903 1.00 73.20 C ATOM 564 CD1 ILE A 34 9.481 -13.752 3.405 1.00 0.34 C ATOM 0 H ILE A 34 7.208 -14.577 6.459 1.00 62.22 H new ATOM 0 HA ILE A 34 9.840 -13.365 5.914 1.00 24.14 H new ATOM 0 HB ILE A 34 7.045 -12.284 5.364 1.00 45.40 H new ATOM 0 HG12 ILE A 34 7.409 -14.045 3.824 1.00 40.21 H new ATOM 0 HG13 ILE A 34 7.766 -12.566 2.954 1.00 40.21 H new ATOM 0 HG21 ILE A 34 8.225 -10.520 4.114 1.00 73.20 H new ATOM 0 HG22 ILE A 34 8.669 -10.514 5.838 1.00 73.20 H new ATOM 0 HG23 ILE A 34 9.785 -11.200 4.634 1.00 73.20 H new ATOM 0 HD11 ILE A 34 9.426 -14.294 2.461 1.00 0.34 H new ATOM 0 HD12 ILE A 34 10.183 -12.924 3.308 1.00 0.34 H new ATOM 0 HD13 ILE A 34 9.821 -14.426 4.191 1.00 0.34 H new ATOM 576 N THR A 35 9.745 -12.566 8.314 1.00 73.35 N ATOM 577 CA THR A 35 9.788 -11.869 9.594 1.00 10.14 C ATOM 578 C THR A 35 10.325 -10.452 9.431 1.00 21.43 C ATOM 579 O THR A 35 10.909 -10.115 8.402 1.00 61.13 O ATOM 580 CB THR A 35 10.662 -12.622 10.614 1.00 42.42 C ATOM 581 OG1 THR A 35 10.785 -13.998 10.233 1.00 61.24 O ATOM 582 CG2 THR A 35 10.065 -12.529 12.011 1.00 21.42 C ATOM 0 H THR A 35 10.567 -13.136 8.116 1.00 73.35 H new ATOM 0 HA THR A 35 8.764 -11.826 9.965 1.00 10.14 H new ATOM 0 HB THR A 35 11.649 -12.159 10.626 1.00 42.42 H new ATOM 0 HG1 THR A 35 11.344 -14.469 10.886 1.00 61.24 H new ATOM 0 HG21 THR A 35 10.699 -13.068 12.714 1.00 21.42 H new ATOM 0 HG22 THR A 35 9.999 -11.483 12.310 1.00 21.42 H new ATOM 0 HG23 THR A 35 9.068 -12.969 12.011 1.00 21.42 H new ATOM 643 N VAL A 40 7.973 -12.858 14.138 1.00 13.33 N ATOM 644 CA VAL A 40 7.041 -13.246 13.086 1.00 41.44 C ATOM 645 C VAL A 40 5.986 -12.170 12.860 1.00 63.31 C ATOM 646 O VAL A 40 5.368 -11.683 13.807 1.00 63.13 O ATOM 647 CB VAL A 40 6.340 -14.576 13.420 1.00 45.24 C ATOM 648 CG1 VAL A 40 5.610 -14.475 14.751 1.00 55.31 C ATOM 649 CG2 VAL A 40 5.380 -14.966 12.306 1.00 51.40 C ATOM 0 HA VAL A 40 7.627 -13.371 12.175 1.00 41.44 H new ATOM 0 HB VAL A 40 7.098 -15.355 13.506 1.00 45.24 H new ATOM 0 HG11 VAL A 40 5.121 -15.424 14.971 1.00 55.31 H new ATOM 0 HG12 VAL A 40 6.324 -14.244 15.541 1.00 55.31 H new ATOM 0 HG13 VAL A 40 4.861 -13.685 14.696 1.00 55.31 H new ATOM 0 HG21 VAL A 40 4.893 -15.908 12.558 1.00 51.40 H new ATOM 0 HG22 VAL A 40 4.626 -14.188 12.187 1.00 51.40 H new ATOM 0 HG23 VAL A 40 5.932 -15.081 11.373 1.00 51.40 H new ATOM 659 N VAL A 41 5.783 -11.802 11.599 1.00 34.35 N ATOM 660 CA VAL A 41 4.801 -10.783 11.248 1.00 44.34 C ATOM 661 C VAL A 41 3.817 -11.306 10.207 1.00 12.15 C ATOM 662 O VAL A 41 2.642 -10.933 10.205 1.00 4.11 O ATOM 663 CB VAL A 41 5.480 -9.513 10.703 1.00 3.41 C ATOM 664 CG1 VAL A 41 6.069 -8.693 11.840 1.00 40.14 C ATOM 665 CG2 VAL A 41 6.551 -9.876 9.685 1.00 22.42 C ATOM 0 H VAL A 41 6.286 -12.195 10.803 1.00 34.35 H new ATOM 0 HA VAL A 41 4.262 -10.534 12.162 1.00 44.34 H new ATOM 0 HB VAL A 41 4.726 -8.906 10.202 1.00 3.41 H new ATOM 0 HG11 VAL A 41 6.545 -7.799 11.436 1.00 40.14 H new ATOM 0 HG12 VAL A 41 5.275 -8.402 12.528 1.00 40.14 H new ATOM 0 HG13 VAL A 41 6.810 -9.289 12.373 1.00 40.14 H new ATOM 0 HG21 VAL A 41 7.020 -8.966 9.310 1.00 22.42 H new ATOM 0 HG22 VAL A 41 7.305 -10.505 10.159 1.00 22.42 H new ATOM 0 HG23 VAL A 41 6.096 -10.417 8.856 1.00 22.42 H new ATOM 675 N LYS A 42 4.301 -12.172 9.324 1.00 42.43 N ATOM 676 CA LYS A 42 3.464 -12.748 8.278 1.00 33.55 C ATOM 677 C LYS A 42 4.039 -14.074 7.791 1.00 43.41 C ATOM 678 O LYS A 42 5.228 -14.343 7.954 1.00 1.03 O ATOM 679 CB LYS A 42 3.335 -11.774 7.105 1.00 52.12 C ATOM 680 CG LYS A 42 1.927 -11.235 6.916 1.00 64.32 C ATOM 681 CD LYS A 42 1.904 -9.715 6.945 1.00 52.31 C ATOM 682 CE LYS A 42 1.343 -9.192 8.258 1.00 23.22 C ATOM 683 NZ LYS A 42 0.394 -8.066 8.047 1.00 13.02 N1+ ATOM 0 H LYS A 42 5.270 -12.491 9.312 1.00 42.43 H new ATOM 0 HA LYS A 42 2.475 -12.933 8.698 1.00 33.55 H new ATOM 0 HB2 LYS A 42 4.017 -10.938 7.260 1.00 52.12 H new ATOM 0 HB3 LYS A 42 3.649 -12.276 6.190 1.00 52.12 H new ATOM 0 HG2 LYS A 42 1.526 -11.588 5.966 1.00 64.32 H new ATOM 0 HG3 LYS A 42 1.279 -11.625 7.701 1.00 64.32 H new ATOM 0 HD2 LYS A 42 2.914 -9.332 6.801 1.00 52.31 H new ATOM 0 HD3 LYS A 42 1.301 -9.343 6.117 1.00 52.31 H new ATOM 0 HE2 LYS A 42 0.835 -10.001 8.784 1.00 23.22 H new ATOM 0 HE3 LYS A 42 2.162 -8.861 8.897 1.00 23.22 H new ATOM 0 HZ1 LYS A 42 0.034 -7.738 8.966 1.00 13.02 H new ATOM 0 HZ2 LYS A 42 0.884 -7.284 7.568 1.00 13.02 H new ATOM 0 HZ3 LYS A 42 -0.401 -8.388 7.459 1.00 13.02 H new ATOM 697 N ASN A 43 3.187 -14.898 7.189 1.00 34.54 N ATOM 698 CA ASN A 43 3.611 -16.196 6.677 1.00 55.25 C ATOM 699 C ASN A 43 3.377 -16.290 5.171 1.00 40.53 C ATOM 700 O ASN A 43 2.468 -15.656 4.634 1.00 31.40 O ATOM 701 CB ASN A 43 2.860 -17.321 7.392 1.00 53.41 C ATOM 702 CG ASN A 43 3.797 -18.369 7.961 1.00 44.33 C ATOM 703 OD1 ASN A 43 4.218 -19.288 7.259 1.00 24.42 O ATOM 704 ND2 ASN A 43 4.124 -18.236 9.241 1.00 72.11 N ATOM 0 H ASN A 43 2.199 -14.690 7.044 1.00 34.54 H new ATOM 0 HA ASN A 43 4.679 -16.302 6.869 1.00 55.25 H new ATOM 0 HB2 ASN A 43 2.259 -16.899 8.197 1.00 53.41 H new ATOM 0 HB3 ASN A 43 2.170 -17.795 6.694 1.00 53.41 H new ATOM 0 HD21 ASN A 43 4.748 -18.912 9.681 1.00 72.11 H new ATOM 0 HD22 ASN A 43 3.751 -17.458 9.785 1.00 72.11 H new ATOM 711 N TRP A 44 4.201 -17.084 4.498 1.00 22.12 N ATOM 712 CA TRP A 44 4.082 -17.261 3.055 1.00 23.21 C ATOM 713 C TRP A 44 4.209 -18.732 2.675 1.00 15.33 C ATOM 714 O TRP A 44 4.907 -19.498 3.340 1.00 44.21 O ATOM 715 CB TRP A 44 5.152 -16.441 2.331 1.00 45.14 C ATOM 716 CG TRP A 44 4.602 -15.233 1.635 1.00 71.55 C ATOM 717 CD1 TRP A 44 4.172 -15.157 0.341 1.00 73.33 C ATOM 718 CD2 TRP A 44 4.427 -13.927 2.194 1.00 22.02 C ATOM 719 NE1 TRP A 44 3.739 -13.883 0.063 1.00 52.22 N ATOM 720 CE2 TRP A 44 3.884 -13.109 1.183 1.00 25.04 C ATOM 721 CE3 TRP A 44 4.672 -13.369 3.451 1.00 55.22 C ATOM 722 CZ2 TRP A 44 3.586 -11.766 1.393 1.00 62.41 C ATOM 723 CZ3 TRP A 44 4.377 -12.035 3.658 1.00 62.30 C ATOM 724 CH2 TRP A 44 3.837 -11.246 2.633 1.00 1.02 C ATOM 0 H TRP A 44 4.958 -17.615 4.927 1.00 22.12 H new ATOM 0 HA TRP A 44 3.096 -16.910 2.751 1.00 23.21 H new ATOM 0 HB2 TRP A 44 5.907 -16.125 3.051 1.00 45.14 H new ATOM 0 HB3 TRP A 44 5.654 -17.076 1.601 1.00 45.14 H new ATOM 0 HD1 TRP A 44 4.172 -15.978 -0.361 1.00 73.33 H new ATOM 0 HE1 TRP A 44 3.369 -13.565 -0.833 1.00 52.22 H new ATOM 0 HE3 TRP A 44 5.085 -13.970 4.248 1.00 55.22 H new ATOM 0 HZ2 TRP A 44 3.171 -11.156 0.605 1.00 62.41 H new ATOM 0 HZ3 TRP A 44 4.566 -11.593 4.625 1.00 62.30 H new ATOM 0 HH2 TRP A 44 3.615 -10.207 2.826 1.00 1.02 H new ATOM 735 N VAL A 45 3.529 -19.122 1.602 1.00 5.25 N ATOM 736 CA VAL A 45 3.567 -20.502 1.133 1.00 60.54 C ATOM 737 C VAL A 45 4.030 -20.577 -0.318 1.00 5.42 C ATOM 738 O VAL A 45 3.700 -19.715 -1.130 1.00 33.13 O ATOM 739 CB VAL A 45 2.186 -21.174 1.255 1.00 52.33 C ATOM 740 CG1 VAL A 45 2.094 -21.974 2.545 1.00 0.31 C ATOM 741 CG2 VAL A 45 1.079 -20.133 1.182 1.00 33.43 C ATOM 0 H VAL A 45 2.945 -18.502 1.041 1.00 5.25 H new ATOM 0 HA VAL A 45 4.278 -21.032 1.766 1.00 60.54 H new ATOM 0 HB VAL A 45 2.061 -21.863 0.419 1.00 52.33 H new ATOM 0 HG11 VAL A 45 1.112 -22.441 2.614 1.00 0.31 H new ATOM 0 HG12 VAL A 45 2.864 -22.745 2.550 1.00 0.31 H new ATOM 0 HG13 VAL A 45 2.240 -21.309 3.396 1.00 0.31 H new ATOM 0 HG21 VAL A 45 0.110 -20.625 1.270 1.00 33.43 H new ATOM 0 HG22 VAL A 45 1.198 -19.418 1.996 1.00 33.43 H new ATOM 0 HG23 VAL A 45 1.135 -19.609 0.228 1.00 33.43 H new ATOM 751 N MET A 46 4.796 -21.615 -0.636 1.00 62.23 N ATOM 752 CA MET A 46 5.304 -21.804 -1.989 1.00 35.14 C ATOM 753 C MET A 46 4.467 -22.831 -2.745 1.00 72.04 C ATOM 754 O MET A 46 4.636 -24.038 -2.563 1.00 51.41 O ATOM 755 CB MET A 46 6.767 -22.249 -1.951 1.00 33.01 C ATOM 756 CG MET A 46 7.665 -21.470 -2.898 1.00 43.13 C ATOM 757 SD MET A 46 8.562 -20.143 -2.071 1.00 65.24 S ATOM 758 CE MET A 46 10.215 -20.830 -2.022 1.00 25.52 C ATOM 0 H MET A 46 5.079 -22.338 0.025 1.00 62.23 H new ATOM 0 HA MET A 46 5.236 -20.850 -2.512 1.00 35.14 H new ATOM 0 HB2 MET A 46 7.145 -22.141 -0.934 1.00 33.01 H new ATOM 0 HB3 MET A 46 6.822 -23.309 -2.200 1.00 33.01 H new ATOM 0 HG2 MET A 46 8.378 -22.153 -3.360 1.00 43.13 H new ATOM 0 HG3 MET A 46 7.061 -21.049 -3.702 1.00 43.13 H new ATOM 0 HE1 MET A 46 10.937 -20.030 -1.860 1.00 25.52 H new ATOM 0 HE2 MET A 46 10.285 -21.552 -1.209 1.00 25.52 H new ATOM 0 HE3 MET A 46 10.431 -21.327 -2.968 1.00 25.52 H new ATOM 768 N ASP A 47 3.566 -22.346 -3.592 1.00 71.12 N ATOM 769 CA ASP A 47 2.704 -23.223 -4.376 1.00 32.40 C ATOM 770 C ASP A 47 3.456 -23.798 -5.572 1.00 53.15 C ATOM 771 O ASP A 47 3.330 -23.304 -6.693 1.00 2.25 O ATOM 772 CB ASP A 47 1.466 -22.461 -4.854 1.00 13.44 C ATOM 773 CG ASP A 47 0.192 -23.268 -4.693 1.00 55.42 C ATOM 774 OD1 ASP A 47 -0.292 -23.389 -3.548 1.00 11.32 O1- ATOM 775 OD2 ASP A 47 -0.319 -23.779 -5.711 1.00 72.40 O ATOM 0 H ASP A 47 3.413 -21.350 -3.753 1.00 71.12 H new ATOM 0 HA ASP A 47 2.390 -24.048 -3.737 1.00 32.40 H new ATOM 0 HB2 ASP A 47 1.377 -21.530 -4.293 1.00 13.44 H new ATOM 0 HB3 ASP A 47 1.592 -22.191 -5.902 1.00 13.44 H new ATOM 780 N LEU A 48 4.239 -24.842 -5.325 1.00 3.45 N ATOM 781 CA LEU A 48 5.013 -25.484 -6.382 1.00 34.13 C ATOM 782 C LEU A 48 4.107 -26.286 -7.311 1.00 74.54 C ATOM 783 O LEU A 48 4.528 -26.724 -8.382 1.00 65.54 O ATOM 784 CB LEU A 48 6.079 -26.400 -5.776 1.00 41.41 C ATOM 785 CG LEU A 48 7.374 -25.720 -5.333 1.00 71.10 C ATOM 786 CD1 LEU A 48 7.242 -25.193 -3.913 1.00 72.14 C ATOM 787 CD2 LEU A 48 8.547 -26.683 -5.440 1.00 24.33 C ATOM 0 H LEU A 48 4.355 -25.262 -4.403 1.00 3.45 H new ATOM 0 HA LEU A 48 5.501 -24.703 -6.965 1.00 34.13 H new ATOM 0 HB2 LEU A 48 5.646 -26.908 -4.914 1.00 41.41 H new ATOM 0 HB3 LEU A 48 6.328 -27.169 -6.508 1.00 41.41 H new ATOM 0 HG LEU A 48 7.562 -24.875 -5.996 1.00 71.10 H new ATOM 0 HD11 LEU A 48 8.174 -24.712 -3.615 1.00 72.14 H new ATOM 0 HD12 LEU A 48 6.429 -24.468 -3.868 1.00 72.14 H new ATOM 0 HD13 LEU A 48 7.028 -26.020 -3.236 1.00 72.14 H new ATOM 0 HD21 LEU A 48 9.460 -26.181 -5.120 1.00 24.33 H new ATOM 0 HD22 LEU A 48 8.367 -27.548 -4.802 1.00 24.33 H new ATOM 0 HD23 LEU A 48 8.656 -27.010 -6.474 1.00 24.33 H new ATOM 799 N LYS A 49 2.858 -26.474 -6.895 1.00 53.41 N ATOM 800 CA LYS A 49 1.891 -27.219 -7.690 1.00 44.45 C ATOM 801 C LYS A 49 1.259 -26.329 -8.755 1.00 13.33 C ATOM 802 O LYS A 49 1.259 -26.665 -9.938 1.00 1.23 O ATOM 803 CB LYS A 49 0.801 -27.803 -6.788 1.00 43.22 C ATOM 804 CG LYS A 49 0.721 -29.319 -6.833 1.00 30.32 C ATOM 805 CD LYS A 49 -0.690 -29.795 -7.137 1.00 53.45 C ATOM 806 CE LYS A 49 -0.757 -31.311 -7.243 1.00 64.21 C ATOM 807 NZ LYS A 49 -1.279 -31.930 -5.993 1.00 62.40 N1+ ATOM 0 H LYS A 49 2.493 -26.120 -6.011 1.00 53.41 H new ATOM 0 HA LYS A 49 2.419 -28.032 -8.188 1.00 44.45 H new ATOM 0 HB2 LYS A 49 0.984 -27.488 -5.761 1.00 43.22 H new ATOM 0 HB3 LYS A 49 -0.163 -27.388 -7.082 1.00 43.22 H new ATOM 0 HG2 LYS A 49 1.405 -29.698 -7.592 1.00 30.32 H new ATOM 0 HG3 LYS A 49 1.046 -29.730 -5.877 1.00 30.32 H new ATOM 0 HD2 LYS A 49 -1.367 -29.454 -6.354 1.00 53.45 H new ATOM 0 HD3 LYS A 49 -1.032 -29.349 -8.071 1.00 53.45 H new ATOM 0 HE2 LYS A 49 -1.396 -31.589 -8.081 1.00 64.21 H new ATOM 0 HE3 LYS A 49 0.237 -31.705 -7.456 1.00 64.21 H new ATOM 0 HZ1 LYS A 49 -1.310 -32.964 -6.104 1.00 62.40 H new ATOM 0 HZ2 LYS A 49 -0.655 -31.686 -5.198 1.00 62.40 H new ATOM 0 HZ3 LYS A 49 -2.237 -31.574 -5.803 1.00 62.40 H new ATOM 821 N ASN A 50 0.726 -25.189 -8.327 1.00 2.35 N ATOM 822 CA ASN A 50 0.093 -24.249 -9.245 1.00 41.40 C ATOM 823 C ASN A 50 1.131 -23.329 -9.881 1.00 40.41 C ATOM 824 O ASN A 50 0.814 -22.543 -10.775 1.00 2.41 O ATOM 825 CB ASN A 50 -0.960 -23.417 -8.511 1.00 14.33 C ATOM 826 CG ASN A 50 -2.008 -22.851 -9.450 1.00 4.31 C ATOM 827 OD1 ASN A 50 -1.910 -22.998 -10.668 1.00 4.24 O ATOM 828 ND2 ASN A 50 -3.016 -22.196 -8.886 1.00 4.23 N ATOM 0 H ASN A 50 0.720 -24.894 -7.351 1.00 2.35 H new ATOM 0 HA ASN A 50 -0.393 -24.822 -10.035 1.00 41.40 H new ATOM 0 HB2 ASN A 50 -1.447 -24.036 -7.758 1.00 14.33 H new ATOM 0 HB3 ASN A 50 -0.470 -22.599 -7.983 1.00 14.33 H new ATOM 0 HD21 ASN A 50 -3.750 -21.790 -9.467 1.00 4.23 H new ATOM 0 HD22 ASN A 50 -3.057 -22.098 -7.871 1.00 4.23 H new ATOM 835 N VAL A 51 2.371 -23.433 -9.417 1.00 64.11 N ATOM 836 CA VAL A 51 3.456 -22.612 -9.941 1.00 54.52 C ATOM 837 C VAL A 51 3.277 -21.150 -9.550 1.00 42.10 C ATOM 838 O VAL A 51 3.419 -20.251 -10.380 1.00 10.33 O ATOM 839 CB VAL A 51 3.545 -22.714 -11.475 1.00 71.44 C ATOM 840 CG1 VAL A 51 4.895 -22.214 -11.966 1.00 71.12 C ATOM 841 CG2 VAL A 51 3.302 -24.146 -11.929 1.00 50.43 C ATOM 0 H VAL A 51 2.650 -24.078 -8.678 1.00 64.11 H new ATOM 0 HA VAL A 51 4.380 -22.991 -9.504 1.00 54.52 H new ATOM 0 HB VAL A 51 2.770 -22.082 -11.909 1.00 71.44 H new ATOM 0 HG11 VAL A 51 4.939 -22.294 -13.052 1.00 71.12 H new ATOM 0 HG12 VAL A 51 5.026 -21.172 -11.673 1.00 71.12 H new ATOM 0 HG13 VAL A 51 5.689 -22.817 -11.525 1.00 71.12 H new ATOM 0 HG21 VAL A 51 3.369 -24.199 -13.016 1.00 50.43 H new ATOM 0 HG22 VAL A 51 4.053 -24.800 -11.487 1.00 50.43 H new ATOM 0 HG23 VAL A 51 2.310 -24.465 -11.610 1.00 50.43 H new ATOM 851 N LYS A 52 2.964 -20.917 -8.279 1.00 54.43 N ATOM 852 CA LYS A 52 2.767 -19.563 -7.775 1.00 32.42 C ATOM 853 C LYS A 52 3.174 -19.465 -6.309 1.00 50.21 C ATOM 854 O LYS A 52 3.370 -20.479 -5.638 1.00 11.15 O ATOM 855 CB LYS A 52 1.305 -19.143 -7.940 1.00 21.22 C ATOM 856 CG LYS A 52 1.132 -17.781 -8.588 1.00 10.13 C ATOM 857 CD LYS A 52 -0.017 -17.777 -9.582 1.00 32.21 C ATOM 858 CE LYS A 52 0.479 -17.945 -11.009 1.00 73.31 C ATOM 859 NZ LYS A 52 0.011 -16.841 -11.893 1.00 35.03 N1+ ATOM 0 H LYS A 52 2.841 -21.649 -7.579 1.00 54.43 H new ATOM 0 HA LYS A 52 3.399 -18.890 -8.355 1.00 32.42 H new ATOM 0 HB2 LYS A 52 0.787 -19.890 -8.541 1.00 21.22 H new ATOM 0 HB3 LYS A 52 0.826 -19.133 -6.961 1.00 21.22 H new ATOM 0 HG2 LYS A 52 0.950 -17.031 -7.818 1.00 10.13 H new ATOM 0 HG3 LYS A 52 2.054 -17.499 -9.096 1.00 10.13 H new ATOM 0 HD2 LYS A 52 -0.711 -18.582 -9.340 1.00 32.21 H new ATOM 0 HD3 LYS A 52 -0.570 -16.842 -9.496 1.00 32.21 H new ATOM 0 HE2 LYS A 52 1.569 -17.977 -11.013 1.00 73.31 H new ATOM 0 HE3 LYS A 52 0.131 -18.899 -11.404 1.00 73.31 H new ATOM 0 HZ1 LYS A 52 0.370 -16.992 -12.857 1.00 35.03 H new ATOM 0 HZ2 LYS A 52 -1.029 -16.826 -11.909 1.00 35.03 H new ATOM 0 HZ3 LYS A 52 0.364 -15.933 -11.530 1.00 35.03 H new ATOM 873 N LEU A 53 3.297 -18.237 -5.814 1.00 61.23 N ATOM 874 CA LEU A 53 3.678 -18.006 -4.426 1.00 12.34 C ATOM 875 C LEU A 53 2.643 -17.141 -3.713 1.00 64.35 C ATOM 876 O LEU A 53 2.579 -15.930 -3.925 1.00 64.45 O ATOM 877 CB LEU A 53 5.052 -17.338 -4.358 1.00 22.14 C ATOM 878 CG LEU A 53 6.243 -18.271 -4.143 1.00 22.44 C ATOM 879 CD1 LEU A 53 6.457 -19.154 -5.363 1.00 71.22 C ATOM 880 CD2 LEU A 53 7.500 -17.471 -3.835 1.00 42.33 C ATOM 0 H LEU A 53 3.138 -17.387 -6.354 1.00 61.23 H new ATOM 0 HA LEU A 53 3.725 -18.972 -3.923 1.00 12.34 H new ATOM 0 HB2 LEU A 53 5.211 -16.786 -5.284 1.00 22.14 H new ATOM 0 HB3 LEU A 53 5.038 -16.607 -3.550 1.00 22.14 H new ATOM 0 HG LEU A 53 6.027 -18.912 -3.289 1.00 22.44 H new ATOM 0 HD11 LEU A 53 7.309 -19.811 -5.191 1.00 71.22 H new ATOM 0 HD12 LEU A 53 5.565 -19.755 -5.538 1.00 71.22 H new ATOM 0 HD13 LEU A 53 6.651 -18.529 -6.235 1.00 71.22 H new ATOM 0 HD21 LEU A 53 8.337 -18.152 -3.685 1.00 42.33 H new ATOM 0 HD22 LEU A 53 7.720 -16.804 -4.668 1.00 42.33 H new ATOM 0 HD23 LEU A 53 7.344 -16.883 -2.931 1.00 42.33 H new ATOM 892 N VAL A 54 1.836 -17.771 -2.866 1.00 5.45 N ATOM 893 CA VAL A 54 0.806 -17.058 -2.120 1.00 41.23 C ATOM 894 C VAL A 54 1.225 -16.846 -0.670 1.00 45.12 C ATOM 895 O VAL A 54 2.265 -17.340 -0.236 1.00 72.40 O ATOM 896 CB VAL A 54 -0.535 -17.816 -2.148 1.00 72.04 C ATOM 897 CG1 VAL A 54 -0.834 -18.320 -3.552 1.00 71.10 C ATOM 898 CG2 VAL A 54 -0.517 -18.966 -1.153 1.00 11.01 C ATOM 0 H VAL A 54 1.875 -18.773 -2.679 1.00 5.45 H new ATOM 0 HA VAL A 54 0.678 -16.090 -2.605 1.00 41.23 H new ATOM 0 HB VAL A 54 -1.328 -17.127 -1.858 1.00 72.04 H new ATOM 0 HG11 VAL A 54 -1.785 -18.853 -3.552 1.00 71.10 H new ATOM 0 HG12 VAL A 54 -0.891 -17.475 -4.238 1.00 71.10 H new ATOM 0 HG13 VAL A 54 -0.040 -18.994 -3.873 1.00 71.10 H new ATOM 0 HG21 VAL A 54 -1.472 -19.491 -1.186 1.00 11.01 H new ATOM 0 HG22 VAL A 54 0.286 -19.657 -1.410 1.00 11.01 H new ATOM 0 HG23 VAL A 54 -0.352 -18.576 -0.149 1.00 11.01 H new ATOM 908 N GLU A 55 0.408 -16.107 0.075 1.00 21.23 N ATOM 909 CA GLU A 55 0.696 -15.829 1.477 1.00 34.21 C ATOM 910 C GLU A 55 -0.231 -16.625 2.392 1.00 31.12 C ATOM 911 O GLU A 55 -1.432 -16.363 2.456 1.00 24.40 O ATOM 912 CB GLU A 55 0.552 -14.333 1.764 1.00 60.31 C ATOM 913 CG GLU A 55 -0.707 -13.719 1.173 1.00 21.34 C ATOM 914 CD GLU A 55 -0.524 -13.291 -0.271 1.00 40.15 C ATOM 915 OE1 GLU A 55 0.423 -12.524 -0.546 1.00 15.53 O ATOM 916 OE2 GLU A 55 -1.327 -13.722 -1.123 1.00 73.52 O1- ATOM 0 H GLU A 55 -0.457 -15.691 -0.269 1.00 21.23 H new ATOM 0 HA GLU A 55 1.724 -16.133 1.677 1.00 34.21 H new ATOM 0 HB2 GLU A 55 0.551 -14.177 2.843 1.00 60.31 H new ATOM 0 HB3 GLU A 55 1.422 -13.810 1.367 1.00 60.31 H new ATOM 0 HG2 GLU A 55 -1.522 -14.440 1.234 1.00 21.34 H new ATOM 0 HG3 GLU A 55 -1.000 -12.855 1.770 1.00 21.34 H new ATOM 923 N SER A 56 0.336 -17.599 3.097 1.00 73.41 N ATOM 924 CA SER A 56 -0.440 -18.437 4.003 1.00 43.24 C ATOM 925 C SER A 56 0.479 -19.284 4.879 1.00 1.33 C ATOM 926 O SER A 56 1.672 -19.412 4.605 1.00 11.10 O ATOM 927 CB SER A 56 -1.386 -19.342 3.213 1.00 44.34 C ATOM 928 OG SER A 56 -2.728 -18.900 3.327 1.00 12.25 O ATOM 0 H SER A 56 1.329 -17.827 3.058 1.00 73.41 H new ATOM 0 HA SER A 56 -1.029 -17.784 4.647 1.00 43.24 H new ATOM 0 HB2 SER A 56 -1.091 -19.354 2.164 1.00 44.34 H new ATOM 0 HB3 SER A 56 -1.305 -20.366 3.578 1.00 44.34 H new ATOM 0 HG SER A 56 -2.778 -17.946 3.109 1.00 12.25 H new ATOM 934 N ASP A 57 -0.087 -19.861 5.933 1.00 31.32 N ATOM 935 CA ASP A 57 0.679 -20.698 6.850 1.00 71.22 C ATOM 936 C ASP A 57 0.074 -22.096 6.945 1.00 51.13 C ATOM 937 O ASP A 57 -1.055 -22.264 7.408 1.00 50.20 O ATOM 938 CB ASP A 57 0.731 -20.057 8.237 1.00 63.23 C ATOM 939 CG ASP A 57 -0.509 -19.243 8.546 1.00 3.54 C ATOM 940 OD1 ASP A 57 -1.532 -19.844 8.936 1.00 34.13 O ATOM 941 OD2 ASP A 57 -0.458 -18.004 8.397 1.00 2.01 O1- ATOM 0 H ASP A 57 -1.073 -19.765 6.174 1.00 31.32 H new ATOM 0 HA ASP A 57 1.693 -20.786 6.460 1.00 71.22 H new ATOM 0 HB2 ASP A 57 0.847 -20.837 8.990 1.00 63.23 H new ATOM 0 HB3 ASP A 57 1.609 -19.415 8.305 1.00 63.23 H new ATOM 946 N ASP A 58 0.831 -23.093 6.502 1.00 42.15 N ATOM 947 CA ASP A 58 0.370 -24.477 6.537 1.00 13.22 C ATOM 948 C ASP A 58 1.550 -25.443 6.562 1.00 50.02 C ATOM 949 O ASP A 58 2.693 -25.047 6.336 1.00 32.03 O ATOM 950 CB ASP A 58 -0.520 -24.771 5.328 1.00 32.33 C ATOM 951 CG ASP A 58 -1.426 -23.606 4.979 1.00 34.24 C ATOM 952 OD1 ASP A 58 -0.962 -22.683 4.278 1.00 62.33 O ATOM 953 OD2 ASP A 58 -2.599 -23.619 5.408 1.00 21.22 O1- ATOM 0 H ASP A 58 1.766 -22.970 6.114 1.00 42.15 H new ATOM 0 HA ASP A 58 -0.210 -24.617 7.449 1.00 13.22 H new ATOM 0 HB2 ASP A 58 0.107 -25.010 4.469 1.00 32.33 H new ATOM 0 HB3 ASP A 58 -1.128 -25.652 5.534 1.00 32.33 H new ATOM 958 N ALA A 59 1.265 -26.711 6.841 1.00 54.42 N ATOM 959 CA ALA A 59 2.302 -27.733 6.895 1.00 64.04 C ATOM 960 C ALA A 59 3.143 -27.729 5.623 1.00 23.53 C ATOM 961 O ALA A 59 2.713 -27.229 4.584 1.00 64.14 O ATOM 962 CB ALA A 59 1.681 -29.104 7.116 1.00 20.01 C ATOM 0 H ALA A 59 0.324 -27.055 7.033 1.00 54.42 H new ATOM 0 HA ALA A 59 2.959 -27.505 7.734 1.00 64.04 H new ATOM 0 HB1 ALA A 59 2.467 -29.858 7.154 1.00 20.01 H new ATOM 0 HB2 ALA A 59 1.130 -29.107 8.056 1.00 20.01 H new ATOM 0 HB3 ALA A 59 1.000 -29.331 6.296 1.00 20.01 H new ATOM 968 N ALA A 60 4.346 -28.289 5.713 1.00 25.42 N ATOM 969 CA ALA A 60 5.247 -28.351 4.569 1.00 52.24 C ATOM 970 C ALA A 60 6.432 -29.267 4.852 1.00 52.10 C ATOM 971 O ALA A 60 6.949 -29.300 5.969 1.00 32.51 O ATOM 972 CB ALA A 60 5.731 -26.956 4.203 1.00 60.25 C ATOM 0 H ALA A 60 4.718 -28.706 6.566 1.00 25.42 H new ATOM 0 HA ALA A 60 4.695 -28.765 3.725 1.00 52.24 H new ATOM 0 HB1 ALA A 60 6.403 -27.017 3.347 1.00 60.25 H new ATOM 0 HB2 ALA A 60 4.876 -26.329 3.949 1.00 60.25 H new ATOM 0 HB3 ALA A 60 6.261 -26.521 5.050 1.00 60.25 H new ATOM 978 N GLU A 61 6.857 -30.010 3.835 1.00 12.15 N ATOM 979 CA GLU A 61 7.982 -30.927 3.977 1.00 60.24 C ATOM 980 C GLU A 61 9.267 -30.168 4.293 1.00 60.45 C ATOM 981 O GLU A 61 10.206 -30.726 4.860 1.00 34.32 O ATOM 982 CB GLU A 61 8.162 -31.749 2.700 1.00 40.01 C ATOM 983 CG GLU A 61 7.808 -33.217 2.866 1.00 60.43 C ATOM 984 CD GLU A 61 6.386 -33.424 3.350 1.00 63.55 C ATOM 985 OE1 GLU A 61 5.556 -32.511 3.160 1.00 4.32 O1- ATOM 986 OE2 GLU A 61 6.104 -34.499 3.920 1.00 10.35 O ATOM 0 H GLU A 61 6.440 -29.995 2.904 1.00 12.15 H new ATOM 0 HA GLU A 61 7.766 -31.600 4.806 1.00 60.24 H new ATOM 0 HB2 GLU A 61 7.542 -31.321 1.912 1.00 40.01 H new ATOM 0 HB3 GLU A 61 9.198 -31.669 2.369 1.00 40.01 H new ATOM 0 HG2 GLU A 61 7.941 -33.729 1.913 1.00 60.43 H new ATOM 0 HG3 GLU A 61 8.499 -33.676 3.574 1.00 60.43 H new ATOM 993 N ALA A 62 9.301 -28.892 3.921 1.00 4.02 N ATOM 994 CA ALA A 62 10.470 -28.056 4.165 1.00 60.23 C ATOM 995 C ALA A 62 10.059 -26.652 4.596 1.00 52.32 C ATOM 996 O ALA A 62 9.311 -25.970 3.897 1.00 12.21 O ATOM 997 CB ALA A 62 11.343 -27.995 2.920 1.00 14.02 C ATOM 0 H ALA A 62 8.532 -28.415 3.450 1.00 4.02 H new ATOM 0 HA ALA A 62 11.045 -28.503 4.976 1.00 60.23 H new ATOM 0 HB1 ALA A 62 12.213 -27.368 3.116 1.00 14.02 H new ATOM 0 HB2 ALA A 62 11.673 -29.000 2.657 1.00 14.02 H new ATOM 0 HB3 ALA A 62 10.770 -27.574 2.094 1.00 14.02 H new ATOM 1003 N THR A 63 10.555 -26.226 5.754 1.00 64.23 N ATOM 1004 CA THR A 63 10.238 -24.903 6.280 1.00 11.41 C ATOM 1005 C THR A 63 11.404 -23.940 6.083 1.00 73.24 C ATOM 1006 O THR A 63 12.539 -24.240 6.452 1.00 53.04 O ATOM 1007 CB THR A 63 9.885 -24.965 7.778 1.00 31.34 C ATOM 1008 OG1 THR A 63 8.712 -25.762 7.972 1.00 62.11 O ATOM 1009 CG2 THR A 63 9.653 -23.569 8.336 1.00 45.10 C ATOM 0 H THR A 63 11.177 -26.777 6.345 1.00 64.23 H new ATOM 0 HA THR A 63 9.373 -24.540 5.725 1.00 11.41 H new ATOM 0 HB THR A 63 10.723 -25.417 8.308 1.00 31.34 H new ATOM 0 HG1 THR A 63 8.495 -25.798 8.927 1.00 62.11 H new ATOM 0 HG21 THR A 63 9.405 -23.637 9.395 1.00 45.10 H new ATOM 0 HG22 THR A 63 10.557 -22.973 8.213 1.00 45.10 H new ATOM 0 HG23 THR A 63 8.830 -23.095 7.801 1.00 45.10 H new ATOM 1017 N LEU A 64 11.115 -22.782 5.500 1.00 31.21 N ATOM 1018 CA LEU A 64 12.140 -21.773 5.255 1.00 23.22 C ATOM 1019 C LEU A 64 11.741 -20.433 5.866 1.00 10.31 C ATOM 1020 O LEU A 64 10.722 -19.849 5.498 1.00 34.35 O ATOM 1021 CB LEU A 64 12.376 -21.612 3.752 1.00 42.20 C ATOM 1022 CG LEU A 64 13.285 -22.653 3.100 1.00 33.54 C ATOM 1023 CD1 LEU A 64 12.545 -23.391 1.995 1.00 24.14 C ATOM 1024 CD2 LEU A 64 14.544 -21.995 2.555 1.00 33.52 C ATOM 0 H LEU A 64 10.180 -22.518 5.188 1.00 31.21 H new ATOM 0 HA LEU A 64 13.064 -22.106 5.727 1.00 23.22 H new ATOM 0 HB2 LEU A 64 11.410 -21.636 3.248 1.00 42.20 H new ATOM 0 HB3 LEU A 64 12.803 -20.625 3.575 1.00 42.20 H new ATOM 0 HG LEU A 64 13.578 -23.378 3.859 1.00 33.54 H new ATOM 0 HD11 LEU A 64 13.208 -24.128 1.542 1.00 24.14 H new ATOM 0 HD12 LEU A 64 11.674 -23.895 2.414 1.00 24.14 H new ATOM 0 HD13 LEU A 64 12.221 -22.679 1.236 1.00 24.14 H new ATOM 0 HD21 LEU A 64 15.180 -22.751 2.094 1.00 33.52 H new ATOM 0 HD22 LEU A 64 14.271 -21.248 1.810 1.00 33.52 H new ATOM 0 HD23 LEU A 64 15.085 -21.514 3.370 1.00 33.52 H new ATOM 1036 N THR A 65 12.555 -19.949 6.800 1.00 71.33 N ATOM 1037 CA THR A 65 12.288 -18.677 7.460 1.00 73.12 C ATOM 1038 C THR A 65 13.357 -17.646 7.119 1.00 14.11 C ATOM 1039 O THR A 65 14.553 -17.922 7.216 1.00 44.01 O ATOM 1040 CB THR A 65 12.221 -18.843 8.990 1.00 74.44 C ATOM 1041 OG1 THR A 65 11.874 -20.192 9.322 1.00 70.01 O ATOM 1042 CG2 THR A 65 11.201 -17.888 9.593 1.00 42.34 C ATOM 0 H THR A 65 13.404 -20.419 7.116 1.00 71.33 H new ATOM 0 HA THR A 65 11.322 -18.328 7.096 1.00 73.12 H new ATOM 0 HB THR A 65 13.203 -18.609 9.402 1.00 74.44 H new ATOM 0 HG1 THR A 65 12.689 -20.730 9.398 1.00 70.01 H new ATOM 0 HG21 THR A 65 11.171 -18.023 10.674 1.00 42.34 H new ATOM 0 HG22 THR A 65 11.484 -16.861 9.363 1.00 42.34 H new ATOM 0 HG23 THR A 65 10.216 -18.095 9.174 1.00 42.34 H new ATOM 1050 N MET A 66 12.920 -16.456 6.720 1.00 44.23 N ATOM 1051 CA MET A 66 13.841 -15.382 6.367 1.00 35.33 C ATOM 1052 C MET A 66 13.188 -14.018 6.567 1.00 74.32 C ATOM 1053 O MET A 66 12.008 -13.837 6.272 1.00 1.23 O ATOM 1054 CB MET A 66 14.300 -15.533 4.915 1.00 73.33 C ATOM 1055 CG MET A 66 15.626 -16.260 4.769 1.00 31.14 C ATOM 1056 SD MET A 66 15.759 -17.159 3.211 1.00 74.11 S ATOM 1057 CE MET A 66 14.429 -18.344 3.390 1.00 64.32 C ATOM 0 H MET A 66 11.934 -16.211 6.633 1.00 44.23 H new ATOM 0 HA MET A 66 14.708 -15.449 7.024 1.00 35.33 H new ATOM 0 HB2 MET A 66 13.536 -16.072 4.355 1.00 73.33 H new ATOM 0 HB3 MET A 66 14.386 -14.544 4.465 1.00 73.33 H new ATOM 0 HG2 MET A 66 16.441 -15.539 4.838 1.00 31.14 H new ATOM 0 HG3 MET A 66 15.746 -16.958 5.598 1.00 31.14 H new ATOM 0 HE1 MET A 66 14.573 -19.162 2.684 1.00 64.32 H new ATOM 0 HE2 MET A 66 14.427 -18.738 4.406 1.00 64.32 H new ATOM 0 HE3 MET A 66 13.476 -17.854 3.189 1.00 64.32 H new ATOM 1067 N GLU A 67 13.964 -13.064 7.070 1.00 74.44 N ATOM 1068 CA GLU A 67 13.460 -11.717 7.310 1.00 65.21 C ATOM 1069 C GLU A 67 13.292 -10.957 5.998 1.00 21.25 C ATOM 1070 O GLU A 67 13.966 -11.246 5.010 1.00 71.54 O ATOM 1071 CB GLU A 67 14.407 -10.952 8.237 1.00 61.44 C ATOM 1072 CG GLU A 67 14.491 -11.536 9.638 1.00 20.41 C ATOM 1073 CD GLU A 67 15.674 -11.002 10.422 1.00 50.14 C ATOM 1074 OE1 GLU A 67 16.255 -9.981 9.998 1.00 70.53 O ATOM 1075 OE2 GLU A 67 16.018 -11.604 11.460 1.00 14.41 O1- ATOM 0 H GLU A 67 14.944 -13.199 7.319 1.00 74.44 H new ATOM 0 HA GLU A 67 12.484 -11.802 7.788 1.00 65.21 H new ATOM 0 HB2 GLU A 67 15.404 -10.942 7.796 1.00 61.44 H new ATOM 0 HB3 GLU A 67 14.078 -9.915 8.304 1.00 61.44 H new ATOM 0 HG2 GLU A 67 13.571 -11.311 10.177 1.00 20.41 H new ATOM 0 HG3 GLU A 67 14.564 -12.622 9.571 1.00 20.41 H new ATOM 1082 N ASP A 68 12.385 -9.984 5.997 1.00 21.12 N ATOM 1083 CA ASP A 68 12.128 -9.182 4.807 1.00 71.10 C ATOM 1084 C ASP A 68 13.432 -8.668 4.205 1.00 24.42 C ATOM 1085 O ASP A 68 13.701 -8.867 3.019 1.00 74.24 O ATOM 1086 CB ASP A 68 11.211 -8.007 5.147 1.00 64.02 C ATOM 1087 CG ASP A 68 10.001 -7.934 4.237 1.00 31.40 C ATOM 1088 OD1 ASP A 68 10.067 -8.482 3.118 1.00 75.34 O1- ATOM 1089 OD2 ASP A 68 8.987 -7.327 4.644 1.00 12.13 O ATOM 0 H ASP A 68 11.817 -9.733 6.806 1.00 21.12 H new ATOM 0 HA ASP A 68 11.635 -9.817 4.071 1.00 71.10 H new ATOM 0 HB2 ASP A 68 10.879 -8.097 6.181 1.00 64.02 H new ATOM 0 HB3 ASP A 68 11.774 -7.077 5.073 1.00 64.02 H new ATOM 1094 N ASP A 69 14.238 -8.007 5.028 1.00 45.41 N ATOM 1095 CA ASP A 69 15.514 -7.464 4.577 1.00 14.54 C ATOM 1096 C ASP A 69 16.331 -8.527 3.850 1.00 22.43 C ATOM 1097 O ASP A 69 17.116 -8.216 2.954 1.00 53.21 O ATOM 1098 CB ASP A 69 16.308 -6.917 5.765 1.00 1.15 C ATOM 1099 CG ASP A 69 16.280 -5.403 5.831 1.00 54.42 C ATOM 1100 OD1 ASP A 69 15.229 -4.844 6.208 1.00 74.02 O ATOM 1101 OD2 ASP A 69 17.311 -4.776 5.508 1.00 30.41 O1- ATOM 0 H ASP A 69 14.030 -7.834 6.012 1.00 45.41 H new ATOM 0 HA ASP A 69 15.309 -6.651 3.881 1.00 14.54 H new ATOM 0 HB2 ASP A 69 15.901 -7.326 6.690 1.00 1.15 H new ATOM 0 HB3 ASP A 69 17.342 -7.256 5.695 1.00 1.15 H new ATOM 1106 N ILE A 70 16.140 -9.782 4.242 1.00 1.14 N ATOM 1107 CA ILE A 70 16.859 -10.892 3.628 1.00 43.35 C ATOM 1108 C ILE A 70 16.175 -11.347 2.344 1.00 31.44 C ATOM 1109 O ILE A 70 16.802 -11.947 1.473 1.00 24.31 O ATOM 1110 CB ILE A 70 16.973 -12.090 4.589 1.00 13.31 C ATOM 1111 CG1 ILE A 70 17.989 -11.792 5.693 1.00 2.20 C ATOM 1112 CG2 ILE A 70 17.366 -13.346 3.825 1.00 11.14 C ATOM 1113 CD1 ILE A 70 19.401 -11.613 5.182 1.00 73.31 C ATOM 0 H ILE A 70 15.494 -10.056 4.982 1.00 1.14 H new ATOM 0 HA ILE A 70 17.860 -10.529 3.394 1.00 43.35 H new ATOM 0 HB ILE A 70 16.001 -12.259 5.052 1.00 13.31 H new ATOM 0 HG12 ILE A 70 17.685 -10.888 6.221 1.00 2.20 H new ATOM 0 HG13 ILE A 70 17.974 -12.605 6.419 1.00 2.20 H new ATOM 0 HG21 ILE A 70 17.443 -14.184 4.518 1.00 11.14 H new ATOM 0 HG22 ILE A 70 16.609 -13.566 3.072 1.00 11.14 H new ATOM 0 HG23 ILE A 70 18.328 -13.189 3.337 1.00 11.14 H new ATOM 0 HD11 ILE A 70 20.067 -11.405 6.019 1.00 73.31 H new ATOM 0 HD12 ILE A 70 19.724 -12.524 4.679 1.00 73.31 H new ATOM 0 HD13 ILE A 70 19.431 -10.781 4.479 1.00 73.31 H new ATOM 1125 N MET A 71 14.882 -11.056 2.235 1.00 71.51 N ATOM 1126 CA MET A 71 14.112 -11.432 1.055 1.00 43.30 C ATOM 1127 C MET A 71 14.692 -10.791 -0.202 1.00 65.43 C ATOM 1128 O MET A 71 14.951 -11.469 -1.196 1.00 75.00 O ATOM 1129 CB MET A 71 12.648 -11.021 1.222 1.00 72.31 C ATOM 1130 CG MET A 71 11.775 -11.384 0.031 1.00 1.33 C ATOM 1131 SD MET A 71 10.233 -12.181 0.518 1.00 74.13 S ATOM 1132 CE MET A 71 9.353 -10.800 1.246 1.00 31.24 C ATOM 0 H MET A 71 14.347 -10.562 2.949 1.00 71.51 H new ATOM 0 HA MET A 71 14.168 -12.515 0.947 1.00 43.30 H new ATOM 0 HB2 MET A 71 12.245 -11.497 2.116 1.00 72.31 H new ATOM 0 HB3 MET A 71 12.598 -9.944 1.384 1.00 72.31 H new ATOM 0 HG2 MET A 71 11.549 -10.482 -0.538 1.00 1.33 H new ATOM 0 HG3 MET A 71 12.329 -12.048 -0.632 1.00 1.33 H new ATOM 0 HE1 MET A 71 8.726 -11.158 2.063 1.00 31.24 H new ATOM 0 HE2 MET A 71 10.069 -10.074 1.630 1.00 31.24 H new ATOM 0 HE3 MET A 71 8.727 -10.327 0.489 1.00 31.24 H new ATOM 1142 N PHE A 72 14.895 -9.478 -0.150 1.00 41.54 N ATOM 1143 CA PHE A 72 15.444 -8.744 -1.284 1.00 22.30 C ATOM 1144 C PHE A 72 16.927 -9.053 -1.467 1.00 43.01 C ATOM 1145 O PHE A 72 17.451 -8.996 -2.578 1.00 63.32 O ATOM 1146 CB PHE A 72 15.245 -7.239 -1.090 1.00 44.00 C ATOM 1147 CG PHE A 72 16.226 -6.625 -0.134 1.00 52.50 C ATOM 1148 CD1 PHE A 72 17.550 -6.442 -0.500 1.00 61.23 C ATOM 1149 CD2 PHE A 72 15.824 -6.228 1.132 1.00 2.12 C ATOM 1150 CE1 PHE A 72 18.455 -5.877 0.380 1.00 44.43 C ATOM 1151 CE2 PHE A 72 16.724 -5.662 2.016 1.00 51.42 C ATOM 1152 CZ PHE A 72 18.041 -5.485 1.639 1.00 61.11 C ATOM 0 H PHE A 72 14.687 -8.901 0.665 1.00 41.54 H new ATOM 0 HA PHE A 72 14.912 -9.061 -2.181 1.00 22.30 H new ATOM 0 HB2 PHE A 72 15.331 -6.741 -2.056 1.00 44.00 H new ATOM 0 HB3 PHE A 72 14.233 -7.058 -0.727 1.00 44.00 H new ATOM 0 HD1 PHE A 72 17.879 -6.744 -1.483 1.00 61.23 H new ATOM 0 HD2 PHE A 72 14.795 -6.362 1.431 1.00 2.12 H new ATOM 0 HE1 PHE A 72 19.485 -5.742 0.084 1.00 44.43 H new ATOM 0 HE2 PHE A 72 16.398 -5.359 3.000 1.00 51.42 H new ATOM 0 HZ PHE A 72 18.746 -5.041 2.327 1.00 61.11 H new ATOM 1162 N ALA A 73 17.596 -9.381 -0.366 1.00 72.11 N ATOM 1163 CA ALA A 73 19.018 -9.701 -0.403 1.00 15.10 C ATOM 1164 C ALA A 73 19.263 -11.034 -1.103 1.00 3.03 C ATOM 1165 O ALA A 73 19.965 -11.096 -2.112 1.00 20.54 O ATOM 1166 CB ALA A 73 19.590 -9.730 1.007 1.00 40.23 C ATOM 0 H ALA A 73 17.176 -9.432 0.562 1.00 72.11 H new ATOM 0 HA ALA A 73 19.525 -8.923 -0.973 1.00 15.10 H new ATOM 0 HB1 ALA A 73 20.652 -9.970 0.964 1.00 40.23 H new ATOM 0 HB2 ALA A 73 19.457 -8.754 1.474 1.00 40.23 H new ATOM 0 HB3 ALA A 73 19.071 -10.487 1.595 1.00 40.23 H new ATOM 1172 N ILE A 74 18.679 -12.097 -0.560 1.00 62.02 N ATOM 1173 CA ILE A 74 18.834 -13.428 -1.133 1.00 2.11 C ATOM 1174 C ILE A 74 18.053 -13.561 -2.436 1.00 5.14 C ATOM 1175 O ILE A 74 18.531 -14.156 -3.401 1.00 43.34 O ATOM 1176 CB ILE A 74 18.366 -14.520 -0.154 1.00 11.55 C ATOM 1177 CG1 ILE A 74 19.296 -14.582 1.060 1.00 44.31 C ATOM 1178 CG2 ILE A 74 18.310 -15.871 -0.853 1.00 21.22 C ATOM 1179 CD1 ILE A 74 18.911 -15.647 2.063 1.00 30.22 C ATOM 0 H ILE A 74 18.095 -12.062 0.275 1.00 62.02 H new ATOM 0 HA ILE A 74 19.897 -13.562 -1.334 1.00 2.11 H new ATOM 0 HB ILE A 74 17.363 -14.269 0.192 1.00 11.55 H new ATOM 0 HG12 ILE A 74 20.314 -14.768 0.718 1.00 44.31 H new ATOM 0 HG13 ILE A 74 19.298 -13.611 1.556 1.00 44.31 H new ATOM 0 HG21 ILE A 74 17.977 -16.632 -0.147 1.00 21.22 H new ATOM 0 HG22 ILE A 74 17.611 -15.820 -1.688 1.00 21.22 H new ATOM 0 HG23 ILE A 74 19.301 -16.130 -1.225 1.00 21.22 H new ATOM 0 HD11 ILE A 74 19.614 -15.633 2.896 1.00 30.22 H new ATOM 0 HD12 ILE A 74 17.905 -15.451 2.433 1.00 30.22 H new ATOM 0 HD13 ILE A 74 18.937 -16.625 1.583 1.00 30.22 H new ATOM 1191 N GLY A 75 16.849 -12.999 -2.457 1.00 3.13 N ATOM 1192 CA GLY A 75 16.020 -13.064 -3.647 1.00 32.31 C ATOM 1193 C GLY A 75 16.749 -12.582 -4.886 1.00 1.25 C ATOM 1194 O GLY A 75 16.597 -13.153 -5.967 1.00 54.01 O ATOM 0 H GLY A 75 16.432 -12.500 -1.671 1.00 3.13 H new ATOM 0 HA2 GLY A 75 15.689 -14.091 -3.800 1.00 32.31 H new ATOM 0 HA3 GLY A 75 15.125 -12.460 -3.497 1.00 32.31 H new ATOM 1198 N THR A 76 17.543 -11.527 -4.733 1.00 53.52 N ATOM 1199 CA THR A 76 18.295 -10.968 -5.848 1.00 44.22 C ATOM 1200 C THR A 76 19.706 -11.540 -5.903 1.00 51.23 C ATOM 1201 O THR A 76 20.539 -11.092 -6.689 1.00 5.23 O ATOM 1202 CB THR A 76 18.380 -9.432 -5.755 1.00 62.11 C ATOM 1203 OG1 THR A 76 19.101 -9.052 -4.578 1.00 43.24 O ATOM 1204 CG2 THR A 76 16.990 -8.815 -5.725 1.00 74.33 C ATOM 0 H THR A 76 17.682 -11.042 -3.846 1.00 53.52 H new ATOM 0 HA THR A 76 17.760 -11.241 -6.757 1.00 44.22 H new ATOM 0 HB THR A 76 18.905 -9.065 -6.637 1.00 62.11 H new ATOM 0 HG1 THR A 76 18.468 -8.824 -3.866 1.00 43.24 H new ATOM 0 HG21 THR A 76 17.075 -7.730 -5.659 1.00 74.33 H new ATOM 0 HG22 THR A 76 16.453 -9.082 -6.635 1.00 74.33 H new ATOM 0 HG23 THR A 76 16.444 -9.189 -4.859 1.00 74.33 H new ATOM 1212 N GLY A 77 19.969 -12.536 -5.061 1.00 1.41 N ATOM 1213 CA GLY A 77 21.281 -13.154 -5.030 1.00 40.44 C ATOM 1214 C GLY A 77 22.384 -12.160 -4.724 1.00 21.42 C ATOM 1215 O GLY A 77 23.519 -12.327 -5.167 1.00 72.34 O ATOM 0 H GLY A 77 19.296 -12.925 -4.400 1.00 1.41 H new ATOM 0 HA2 GLY A 77 21.289 -13.944 -4.279 1.00 40.44 H new ATOM 0 HA3 GLY A 77 21.479 -13.627 -5.992 1.00 40.44 H new ATOM 1219 N ALA A 78 22.048 -11.121 -3.966 1.00 14.03 N ATOM 1220 CA ALA A 78 23.018 -10.096 -3.602 1.00 4.53 C ATOM 1221 C ALA A 78 24.018 -10.626 -2.579 1.00 51.42 C ATOM 1222 O ALA A 78 25.212 -10.335 -2.656 1.00 12.13 O ATOM 1223 CB ALA A 78 22.308 -8.866 -3.060 1.00 15.31 C ATOM 0 H ALA A 78 21.111 -10.967 -3.592 1.00 14.03 H new ATOM 0 HA ALA A 78 23.569 -9.817 -4.500 1.00 4.53 H new ATOM 0 HB1 ALA A 78 23.045 -8.109 -2.792 1.00 15.31 H new ATOM 0 HB2 ALA A 78 21.638 -8.467 -3.822 1.00 15.31 H new ATOM 0 HB3 ALA A 78 21.731 -9.139 -2.177 1.00 15.31 H new ATOM 1229 N LEU A 79 23.523 -11.403 -1.622 1.00 34.13 N ATOM 1230 CA LEU A 79 24.373 -11.973 -0.583 1.00 54.32 C ATOM 1231 C LEU A 79 24.346 -13.498 -0.631 1.00 62.35 C ATOM 1232 O LEU A 79 23.394 -14.110 -1.117 1.00 75.14 O ATOM 1233 CB LEU A 79 23.923 -11.487 0.795 1.00 45.25 C ATOM 1234 CG LEU A 79 24.410 -10.098 1.209 1.00 22.42 C ATOM 1235 CD1 LEU A 79 23.648 -9.608 2.432 1.00 41.33 C ATOM 1236 CD2 LEU A 79 25.906 -10.116 1.484 1.00 23.31 C ATOM 0 H LEU A 79 22.537 -11.653 -1.544 1.00 34.13 H new ATOM 0 HA LEU A 79 25.395 -11.641 -0.763 1.00 54.32 H new ATOM 0 HB2 LEU A 79 22.833 -11.491 0.821 1.00 45.25 H new ATOM 0 HB3 LEU A 79 24.262 -12.206 1.540 1.00 45.25 H new ATOM 0 HG LEU A 79 24.221 -9.408 0.386 1.00 22.42 H new ATOM 0 HD11 LEU A 79 24.008 -8.618 2.712 1.00 41.33 H new ATOM 0 HD12 LEU A 79 22.584 -9.555 2.201 1.00 41.33 H new ATOM 0 HD13 LEU A 79 23.806 -10.299 3.260 1.00 41.33 H new ATOM 0 HD21 LEU A 79 26.234 -9.119 1.777 1.00 23.31 H new ATOM 0 HD22 LEU A 79 26.120 -10.819 2.289 1.00 23.31 H new ATOM 0 HD23 LEU A 79 26.438 -10.423 0.583 1.00 23.31 H new ATOM 1248 N PRO A 80 25.412 -14.126 -0.115 1.00 14.00 N ATOM 1249 CA PRO A 80 25.533 -15.587 -0.086 1.00 41.14 C ATOM 1250 C PRO A 80 24.558 -16.229 0.894 1.00 21.40 C ATOM 1251 O PRO A 80 24.556 -15.909 2.083 1.00 0.41 O ATOM 1252 CB PRO A 80 26.976 -15.814 0.369 1.00 72.45 C ATOM 1253 CG PRO A 80 27.330 -14.586 1.136 1.00 25.51 C ATOM 1254 CD PRO A 80 26.583 -13.458 0.479 1.00 63.44 C ATOM 0 HA PRO A 80 25.301 -16.035 -1.052 1.00 41.14 H new ATOM 0 HB2 PRO A 80 27.060 -16.706 0.990 1.00 72.45 H new ATOM 0 HB3 PRO A 80 27.642 -15.955 -0.482 1.00 72.45 H new ATOM 0 HG2 PRO A 80 27.046 -14.685 2.184 1.00 25.51 H new ATOM 0 HG3 PRO A 80 28.405 -14.408 1.113 1.00 25.51 H new ATOM 0 HD2 PRO A 80 26.288 -12.697 1.201 1.00 63.44 H new ATOM 0 HD3 PRO A 80 27.190 -12.961 -0.278 1.00 63.44 H new ATOM 1262 N ALA A 81 23.729 -17.136 0.388 1.00 32.45 N ATOM 1263 CA ALA A 81 22.750 -17.826 1.220 1.00 0.14 C ATOM 1264 C ALA A 81 23.435 -18.650 2.305 1.00 23.15 C ATOM 1265 O ALA A 81 22.901 -18.820 3.402 1.00 35.22 O ATOM 1266 CB ALA A 81 21.859 -18.712 0.363 1.00 1.12 C ATOM 0 H ALA A 81 23.716 -17.410 -0.594 1.00 32.45 H new ATOM 0 HA ALA A 81 22.131 -17.074 1.709 1.00 0.14 H new ATOM 0 HB1 ALA A 81 21.133 -19.221 0.998 1.00 1.12 H new ATOM 0 HB2 ALA A 81 21.334 -18.100 -0.370 1.00 1.12 H new ATOM 0 HB3 ALA A 81 22.470 -19.452 -0.154 1.00 1.12 H new ATOM 1272 N LYS A 82 24.620 -19.163 1.992 1.00 52.31 N ATOM 1273 CA LYS A 82 25.380 -19.970 2.938 1.00 64.02 C ATOM 1274 C LYS A 82 25.896 -19.115 4.092 1.00 31.13 C ATOM 1275 O LYS A 82 25.609 -19.390 5.256 1.00 60.00 O ATOM 1276 CB LYS A 82 26.553 -20.654 2.232 1.00 15.40 C ATOM 1277 CG LYS A 82 26.515 -22.169 2.317 1.00 55.43 C ATOM 1278 CD LYS A 82 27.912 -22.765 2.291 1.00 25.31 C ATOM 1279 CE LYS A 82 27.989 -24.044 3.110 1.00 43.03 C ATOM 1280 NZ LYS A 82 29.382 -24.562 3.201 1.00 1.31 N1+ ATOM 0 H LYS A 82 25.075 -19.034 1.088 1.00 52.31 H new ATOM 0 HA LYS A 82 24.714 -20.732 3.343 1.00 64.02 H new ATOM 0 HB2 LYS A 82 26.557 -20.358 1.183 1.00 15.40 H new ATOM 0 HB3 LYS A 82 27.486 -20.297 2.668 1.00 15.40 H new ATOM 0 HG2 LYS A 82 26.007 -22.470 3.233 1.00 55.43 H new ATOM 0 HG3 LYS A 82 25.934 -22.566 1.485 1.00 55.43 H new ATOM 0 HD2 LYS A 82 28.200 -22.974 1.261 1.00 25.31 H new ATOM 0 HD3 LYS A 82 28.626 -22.039 2.681 1.00 25.31 H new ATOM 0 HE2 LYS A 82 27.605 -23.857 4.113 1.00 43.03 H new ATOM 0 HE3 LYS A 82 27.348 -24.802 2.660 1.00 43.03 H new ATOM 0 HZ1 LYS A 82 29.392 -25.434 3.767 1.00 1.31 H new ATOM 0 HZ2 LYS A 82 29.740 -24.765 2.246 1.00 1.31 H new ATOM 0 HZ3 LYS A 82 29.989 -23.849 3.654 1.00 1.31 H new ATOM 1294 N GLU A 83 26.657 -18.077 3.759 1.00 54.33 N ATOM 1295 CA GLU A 83 27.211 -17.182 4.767 1.00 72.13 C ATOM 1296 C GLU A 83 26.103 -16.566 5.617 1.00 22.30 C ATOM 1297 O GLU A 83 26.216 -16.483 6.839 1.00 41.13 O ATOM 1298 CB GLU A 83 28.034 -16.077 4.104 1.00 33.31 C ATOM 1299 CG GLU A 83 29.410 -15.888 4.720 1.00 73.20 C ATOM 1300 CD GLU A 83 30.481 -16.697 4.014 1.00 31.14 C ATOM 1301 OE1 GLU A 83 30.566 -17.918 4.267 1.00 42.32 O1- ATOM 1302 OE2 GLU A 83 31.232 -16.111 3.208 1.00 4.11 O ATOM 0 H GLU A 83 26.904 -17.836 2.799 1.00 54.33 H new ATOM 0 HA GLU A 83 27.861 -17.768 5.417 1.00 72.13 H new ATOM 0 HB2 GLU A 83 28.148 -16.307 3.045 1.00 33.31 H new ATOM 0 HB3 GLU A 83 27.484 -15.138 4.169 1.00 33.31 H new ATOM 0 HG2 GLU A 83 29.677 -14.832 4.687 1.00 73.20 H new ATOM 0 HG3 GLU A 83 29.376 -16.176 5.771 1.00 73.20 H new ATOM 1309 N ALA A 84 25.031 -16.136 4.959 1.00 31.35 N ATOM 1310 CA ALA A 84 23.902 -15.529 5.652 1.00 33.22 C ATOM 1311 C ALA A 84 23.429 -16.408 6.806 1.00 0.53 C ATOM 1312 O ALA A 84 23.282 -15.940 7.934 1.00 54.02 O ATOM 1313 CB ALA A 84 22.760 -15.275 4.678 1.00 63.32 C ATOM 0 H ALA A 84 24.921 -16.197 3.947 1.00 31.35 H new ATOM 0 HA ALA A 84 24.231 -14.576 6.066 1.00 33.22 H new ATOM 0 HB1 ALA A 84 21.923 -14.821 5.209 1.00 63.32 H new ATOM 0 HB2 ALA A 84 23.097 -14.602 3.890 1.00 63.32 H new ATOM 0 HB3 ALA A 84 22.441 -16.219 4.237 1.00 63.32 H new ATOM 1319 N MET A 85 23.193 -17.683 6.514 1.00 15.31 N ATOM 1320 CA MET A 85 22.737 -18.626 7.528 1.00 72.33 C ATOM 1321 C MET A 85 23.886 -19.036 8.446 1.00 13.11 C ATOM 1322 O MET A 85 23.670 -19.397 9.602 1.00 65.35 O ATOM 1323 CB MET A 85 22.131 -19.866 6.867 1.00 14.13 C ATOM 1324 CG MET A 85 20.779 -19.611 6.221 1.00 2.33 C ATOM 1325 SD MET A 85 20.445 -20.726 4.845 1.00 30.31 S ATOM 1326 CE MET A 85 20.108 -19.554 3.533 1.00 34.22 C ATOM 0 H MET A 85 23.310 -18.086 5.584 1.00 15.31 H new ATOM 0 HA MET A 85 21.973 -18.133 8.129 1.00 72.33 H new ATOM 0 HB2 MET A 85 22.822 -20.238 6.110 1.00 14.13 H new ATOM 0 HB3 MET A 85 22.025 -20.651 7.615 1.00 14.13 H new ATOM 0 HG2 MET A 85 19.996 -19.721 6.971 1.00 2.33 H new ATOM 0 HG3 MET A 85 20.738 -18.581 5.867 1.00 2.33 H new ATOM 0 HE1 MET A 85 20.402 -19.985 2.576 1.00 34.22 H new ATOM 0 HE2 MET A 85 19.043 -19.324 3.515 1.00 34.22 H new ATOM 0 HE3 MET A 85 20.674 -18.639 3.708 1.00 34.22 H new ATOM 1336 N ALA A 86 25.105 -18.975 7.922 1.00 22.40 N ATOM 1337 CA ALA A 86 26.287 -19.337 8.694 1.00 24.14 C ATOM 1338 C ALA A 86 26.430 -18.452 9.927 1.00 44.20 C ATOM 1339 O ALA A 86 26.929 -18.890 10.963 1.00 35.33 O ATOM 1340 CB ALA A 86 27.533 -19.242 7.827 1.00 41.43 C ATOM 0 H ALA A 86 25.300 -18.678 6.966 1.00 22.40 H new ATOM 0 HA ALA A 86 26.169 -20.367 9.030 1.00 24.14 H new ATOM 0 HB1 ALA A 86 28.408 -19.515 8.417 1.00 41.43 H new ATOM 0 HB2 ALA A 86 27.440 -19.922 6.980 1.00 41.43 H new ATOM 0 HB3 ALA A 86 27.645 -18.221 7.462 1.00 41.43 H new ATOM 1346 N GLN A 87 25.988 -17.204 9.808 1.00 21.33 N ATOM 1347 CA GLN A 87 26.069 -16.256 10.914 1.00 11.30 C ATOM 1348 C GLN A 87 24.810 -16.315 11.773 1.00 13.12 C ATOM 1349 O GLN A 87 24.433 -15.329 12.405 1.00 34.44 O ATOM 1350 CB GLN A 87 26.273 -14.837 10.383 1.00 62.44 C ATOM 1351 CG GLN A 87 27.523 -14.678 9.533 1.00 22.40 C ATOM 1352 CD GLN A 87 27.578 -13.342 8.819 1.00 42.41 C ATOM 1353 OE1 GLN A 87 28.181 -12.387 9.312 1.00 63.45 O ATOM 1354 NE2 GLN A 87 26.949 -13.266 7.652 1.00 23.23 N ATOM 0 H GLN A 87 25.570 -16.826 8.958 1.00 21.33 H new ATOM 0 HA GLN A 87 26.923 -16.530 11.533 1.00 11.30 H new ATOM 0 HB2 GLN A 87 25.403 -14.551 9.792 1.00 62.44 H new ATOM 0 HB3 GLN A 87 26.327 -14.147 11.225 1.00 62.44 H new ATOM 0 HG2 GLN A 87 28.404 -14.784 10.166 1.00 22.40 H new ATOM 0 HG3 GLN A 87 27.561 -15.481 8.797 1.00 22.40 H new ATOM 0 HE21 GLN A 87 26.462 -14.082 7.281 1.00 23.23 H new ATOM 0 HE22 GLN A 87 26.953 -12.392 7.127 1.00 23.23 H new ATOM 1363 N ASP A 88 24.165 -17.477 11.790 1.00 74.43 N ATOM 1364 CA ASP A 88 22.949 -17.664 12.573 1.00 30.11 C ATOM 1365 C ASP A 88 21.985 -16.501 12.365 1.00 61.34 C ATOM 1366 O ASP A 88 21.208 -16.156 13.257 1.00 12.20 O ATOM 1367 CB ASP A 88 23.289 -17.801 14.058 1.00 42.33 C ATOM 1368 CG ASP A 88 24.154 -19.013 14.344 1.00 10.02 C ATOM 1369 OD1 ASP A 88 23.616 -20.139 14.346 1.00 73.51 O ATOM 1370 OD2 ASP A 88 25.371 -18.834 14.564 1.00 1.01 O1- ATOM 0 H ASP A 88 24.464 -18.303 11.271 1.00 74.43 H new ATOM 0 HA ASP A 88 22.465 -18.579 12.233 1.00 30.11 H new ATOM 0 HB2 ASP A 88 23.806 -16.902 14.394 1.00 42.33 H new ATOM 0 HB3 ASP A 88 22.366 -17.873 14.634 1.00 42.33 H new ATOM 1375 N LYS A 89 22.039 -15.898 11.181 1.00 0.12 N ATOM 1376 CA LYS A 89 21.170 -14.774 10.854 1.00 50.20 C ATOM 1377 C LYS A 89 19.920 -15.247 10.120 1.00 23.34 C ATOM 1378 O LYS A 89 19.152 -14.440 9.598 1.00 54.12 O ATOM 1379 CB LYS A 89 21.923 -13.754 9.996 1.00 12.11 C ATOM 1380 CG LYS A 89 22.654 -12.697 10.808 1.00 1.11 C ATOM 1381 CD LYS A 89 21.881 -11.390 10.845 1.00 0.51 C ATOM 1382 CE LYS A 89 20.953 -11.324 12.048 1.00 23.00 C ATOM 1383 NZ LYS A 89 20.997 -9.991 12.711 1.00 64.21 N1+ ATOM 0 H LYS A 89 22.676 -16.170 10.432 1.00 0.12 H new ATOM 0 HA LYS A 89 20.864 -14.301 11.787 1.00 50.20 H new ATOM 0 HB2 LYS A 89 22.642 -14.280 9.369 1.00 12.11 H new ATOM 0 HB3 LYS A 89 21.217 -13.262 9.327 1.00 12.11 H new ATOM 0 HG2 LYS A 89 22.807 -13.059 11.825 1.00 1.11 H new ATOM 0 HG3 LYS A 89 23.641 -12.525 10.379 1.00 1.11 H new ATOM 0 HD2 LYS A 89 22.580 -10.554 10.877 1.00 0.51 H new ATOM 0 HD3 LYS A 89 21.299 -11.284 9.929 1.00 0.51 H new ATOM 0 HE2 LYS A 89 19.932 -11.538 11.731 1.00 23.00 H new ATOM 0 HE3 LYS A 89 21.233 -12.096 12.765 1.00 23.00 H new ATOM 0 HZ1 LYS A 89 20.351 -9.987 13.526 1.00 64.21 H new ATOM 0 HZ2 LYS A 89 21.966 -9.797 13.036 1.00 64.21 H new ATOM 0 HZ3 LYS A 89 20.705 -9.257 12.034 1.00 64.21 H new ATOM 1397 N MET A 90 19.722 -16.561 10.086 1.00 61.54 N ATOM 1398 CA MET A 90 18.562 -17.141 9.418 1.00 34.14 C ATOM 1399 C MET A 90 18.213 -18.499 10.017 1.00 23.11 C ATOM 1400 O MET A 90 19.096 -19.259 10.411 1.00 52.43 O ATOM 1401 CB MET A 90 18.830 -17.286 7.919 1.00 63.10 C ATOM 1402 CG MET A 90 18.374 -16.087 7.101 1.00 53.24 C ATOM 1403 SD MET A 90 19.655 -15.478 5.988 1.00 10.12 S ATOM 1404 CE MET A 90 20.342 -14.141 6.962 1.00 55.23 C ATOM 0 H MET A 90 20.349 -17.243 10.512 1.00 61.54 H new ATOM 0 HA MET A 90 17.716 -16.470 9.565 1.00 34.14 H new ATOM 0 HB2 MET A 90 19.898 -17.438 7.762 1.00 63.10 H new ATOM 0 HB3 MET A 90 18.324 -18.179 7.552 1.00 63.10 H new ATOM 0 HG2 MET A 90 17.494 -16.362 6.520 1.00 53.24 H new ATOM 0 HG3 MET A 90 18.073 -15.285 7.775 1.00 53.24 H new ATOM 0 HE1 MET A 90 20.878 -13.453 6.308 1.00 55.23 H new ATOM 0 HE2 MET A 90 19.537 -13.608 7.468 1.00 55.23 H new ATOM 0 HE3 MET A 90 21.030 -14.547 7.704 1.00 55.23 H new ATOM 1414 N GLU A 91 16.919 -18.797 10.082 1.00 65.45 N ATOM 1415 CA GLU A 91 16.454 -20.064 10.634 1.00 11.40 C ATOM 1416 C GLU A 91 15.668 -20.855 9.593 1.00 34.33 C ATOM 1417 O GLU A 91 14.546 -20.494 9.240 1.00 12.44 O ATOM 1418 CB GLU A 91 15.584 -19.820 11.869 1.00 33.13 C ATOM 1419 CG GLU A 91 16.311 -19.100 12.993 1.00 21.12 C ATOM 1420 CD GLU A 91 15.576 -19.189 14.315 1.00 24.32 C ATOM 1421 OE1 GLU A 91 14.349 -19.421 14.297 1.00 0.55 O1- ATOM 1422 OE2 GLU A 91 16.227 -19.029 15.369 1.00 51.55 O ATOM 0 H GLU A 91 16.175 -18.179 9.759 1.00 65.45 H new ATOM 0 HA GLU A 91 17.328 -20.647 10.924 1.00 11.40 H new ATOM 0 HB2 GLU A 91 14.711 -19.235 11.579 1.00 33.13 H new ATOM 0 HB3 GLU A 91 15.217 -20.777 12.239 1.00 33.13 H new ATOM 0 HG2 GLU A 91 17.308 -19.526 13.107 1.00 21.12 H new ATOM 0 HG3 GLU A 91 16.441 -18.052 12.724 1.00 21.12 H new ATOM 1429 N VAL A 92 16.265 -21.938 9.106 1.00 4.22 N ATOM 1430 CA VAL A 92 15.622 -22.782 8.107 1.00 10.32 C ATOM 1431 C VAL A 92 15.636 -24.247 8.532 1.00 5.13 C ATOM 1432 O VAL A 92 16.617 -24.730 9.096 1.00 24.13 O ATOM 1433 CB VAL A 92 16.310 -22.651 6.734 1.00 74.54 C ATOM 1434 CG1 VAL A 92 17.798 -22.940 6.854 1.00 44.34 C ATOM 1435 CG2 VAL A 92 15.657 -23.579 5.721 1.00 24.44 C ATOM 0 H VAL A 92 17.194 -22.251 9.388 1.00 4.22 H new ATOM 0 HA VAL A 92 14.590 -22.441 8.023 1.00 10.32 H new ATOM 0 HB VAL A 92 16.191 -21.626 6.382 1.00 74.54 H new ATOM 0 HG11 VAL A 92 18.268 -22.843 5.875 1.00 44.34 H new ATOM 0 HG12 VAL A 92 18.252 -22.231 7.546 1.00 44.34 H new ATOM 0 HG13 VAL A 92 17.943 -23.954 7.227 1.00 44.34 H new ATOM 0 HG21 VAL A 92 16.155 -23.474 4.757 1.00 24.44 H new ATOM 0 HG22 VAL A 92 15.744 -24.610 6.063 1.00 24.44 H new ATOM 0 HG23 VAL A 92 14.604 -23.319 5.615 1.00 24.44 H new ATOM 1445 N ASP A 93 14.541 -24.948 8.257 1.00 5.23 N ATOM 1446 CA ASP A 93 14.428 -26.357 8.610 1.00 71.33 C ATOM 1447 C ASP A 93 13.926 -27.175 7.424 1.00 3.43 C ATOM 1448 O ASP A 93 12.787 -27.019 6.986 1.00 70.13 O ATOM 1449 CB ASP A 93 13.485 -26.533 9.801 1.00 63.55 C ATOM 1450 CG ASP A 93 13.707 -25.484 10.874 1.00 64.33 C ATOM 1451 OD1 ASP A 93 14.558 -25.712 11.759 1.00 3.05 O ATOM 1452 OD2 ASP A 93 13.029 -24.437 10.827 1.00 61.15 O1- ATOM 0 H ASP A 93 13.720 -24.563 7.791 1.00 5.23 H new ATOM 0 HA ASP A 93 15.419 -26.718 8.885 1.00 71.33 H new ATOM 0 HB2 ASP A 93 12.453 -26.482 9.454 1.00 63.55 H new ATOM 0 HB3 ASP A 93 13.628 -27.524 10.231 1.00 63.55 H new ATOM 1457 N GLY A 94 14.785 -28.049 6.907 1.00 62.44 N ATOM 1458 CA GLY A 94 14.411 -28.876 5.775 1.00 54.13 C ATOM 1459 C GLY A 94 15.604 -29.564 5.140 1.00 34.44 C ATOM 1460 O GLY A 94 16.751 -29.231 5.440 1.00 31.24 O ATOM 0 H GLY A 94 15.733 -28.199 7.252 1.00 62.44 H new ATOM 0 HA2 GLY A 94 13.692 -29.628 6.100 1.00 54.13 H new ATOM 0 HA3 GLY A 94 13.911 -28.259 5.028 1.00 54.13 H new ATOM 1464 N GLN A 95 15.333 -30.526 4.264 1.00 20.11 N ATOM 1465 CA GLN A 95 16.395 -31.262 3.587 1.00 74.11 C ATOM 1466 C GLN A 95 17.358 -30.309 2.886 1.00 14.41 C ATOM 1467 O GLN A 95 16.966 -29.563 1.989 1.00 70.12 O ATOM 1468 CB GLN A 95 15.799 -32.240 2.574 1.00 43.12 C ATOM 1469 CG GLN A 95 16.429 -33.623 2.620 1.00 5.44 C ATOM 1470 CD GLN A 95 16.391 -34.235 4.007 1.00 62.14 C ATOM 1471 OE1 GLN A 95 15.334 -34.641 4.490 1.00 52.20 O ATOM 1472 NE2 GLN A 95 17.548 -34.306 4.655 1.00 15.42 N ATOM 0 H GLN A 95 14.389 -30.814 4.006 1.00 20.11 H new ATOM 0 HA GLN A 95 16.951 -31.822 4.339 1.00 74.11 H new ATOM 0 HB2 GLN A 95 14.728 -32.331 2.756 1.00 43.12 H new ATOM 0 HB3 GLN A 95 15.918 -31.829 1.571 1.00 43.12 H new ATOM 0 HG2 GLN A 95 15.908 -34.279 1.923 1.00 5.44 H new ATOM 0 HG3 GLN A 95 17.464 -33.558 2.284 1.00 5.44 H new ATOM 0 HE21 GLN A 95 18.400 -33.957 4.217 1.00 15.42 H new ATOM 0 HE22 GLN A 95 17.584 -34.709 5.591 1.00 15.42 H new ATOM 1481 N VAL A 96 18.620 -30.340 3.302 1.00 3.03 N ATOM 1482 CA VAL A 96 19.640 -29.480 2.714 1.00 31.30 C ATOM 1483 C VAL A 96 19.506 -29.426 1.196 1.00 11.34 C ATOM 1484 O VAL A 96 19.618 -28.361 0.591 1.00 40.02 O ATOM 1485 CB VAL A 96 21.058 -29.961 3.076 1.00 72.23 C ATOM 1486 CG1 VAL A 96 22.106 -29.064 2.436 1.00 73.33 C ATOM 1487 CG2 VAL A 96 21.234 -30.008 4.586 1.00 14.52 C ATOM 0 H VAL A 96 18.960 -30.951 4.044 1.00 3.03 H new ATOM 0 HA VAL A 96 19.487 -28.482 3.125 1.00 31.30 H new ATOM 0 HB VAL A 96 21.192 -30.970 2.686 1.00 72.23 H new ATOM 0 HG11 VAL A 96 23.101 -29.419 2.703 1.00 73.33 H new ATOM 0 HG12 VAL A 96 21.991 -29.086 1.352 1.00 73.33 H new ATOM 0 HG13 VAL A 96 21.978 -28.042 2.793 1.00 73.33 H new ATOM 0 HG21 VAL A 96 22.241 -30.350 4.824 1.00 14.52 H new ATOM 0 HG22 VAL A 96 21.081 -29.012 5.001 1.00 14.52 H new ATOM 0 HG23 VAL A 96 20.506 -30.696 5.016 1.00 14.52 H new ATOM 1497 N GLU A 97 19.262 -30.584 0.588 1.00 74.25 N ATOM 1498 CA GLU A 97 19.112 -30.667 -0.861 1.00 11.51 C ATOM 1499 C GLU A 97 17.907 -29.859 -1.331 1.00 42.00 C ATOM 1500 O GLU A 97 18.004 -29.067 -2.268 1.00 42.22 O ATOM 1501 CB GLU A 97 18.963 -32.127 -1.295 1.00 74.24 C ATOM 1502 CG GLU A 97 20.278 -32.787 -1.675 1.00 53.13 C ATOM 1503 CD GLU A 97 20.118 -33.812 -2.781 1.00 42.33 C ATOM 1504 OE1 GLU A 97 19.036 -34.430 -2.865 1.00 51.11 O ATOM 1505 OE2 GLU A 97 21.074 -33.995 -3.563 1.00 41.00 O1- ATOM 0 H GLU A 97 19.164 -31.475 1.075 1.00 74.25 H new ATOM 0 HA GLU A 97 20.008 -30.248 -1.319 1.00 11.51 H new ATOM 0 HB2 GLU A 97 18.503 -32.693 -0.485 1.00 74.24 H new ATOM 0 HB3 GLU A 97 18.282 -32.177 -2.145 1.00 74.24 H new ATOM 0 HG2 GLU A 97 20.986 -32.022 -1.994 1.00 53.13 H new ATOM 0 HG3 GLU A 97 20.705 -33.270 -0.796 1.00 53.13 H new ATOM 1512 N LEU A 98 16.771 -30.064 -0.672 1.00 4.22 N ATOM 1513 CA LEU A 98 15.546 -29.354 -1.023 1.00 45.51 C ATOM 1514 C LEU A 98 15.802 -27.857 -1.155 1.00 62.10 C ATOM 1515 O LEU A 98 15.502 -27.255 -2.186 1.00 75.13 O ATOM 1516 CB LEU A 98 14.467 -29.609 0.032 1.00 63.45 C ATOM 1517 CG LEU A 98 13.853 -31.009 0.041 1.00 24.15 C ATOM 1518 CD1 LEU A 98 12.976 -31.199 1.269 1.00 70.31 C ATOM 1519 CD2 LEU A 98 13.053 -31.248 -1.230 1.00 24.12 C ATOM 0 H LEU A 98 16.673 -30.715 0.107 1.00 4.22 H new ATOM 0 HA LEU A 98 15.200 -29.729 -1.986 1.00 45.51 H new ATOM 0 HB2 LEU A 98 14.896 -29.416 1.015 1.00 63.45 H new ATOM 0 HB3 LEU A 98 13.666 -28.884 -0.114 1.00 63.45 H new ATOM 0 HG LEU A 98 14.661 -31.739 0.081 1.00 24.15 H new ATOM 0 HD11 LEU A 98 12.547 -32.201 1.258 1.00 70.31 H new ATOM 0 HD12 LEU A 98 13.577 -31.071 2.169 1.00 70.31 H new ATOM 0 HD13 LEU A 98 12.174 -30.461 1.261 1.00 70.31 H new ATOM 0 HD21 LEU A 98 12.623 -32.249 -1.206 1.00 24.12 H new ATOM 0 HD22 LEU A 98 12.253 -30.511 -1.300 1.00 24.12 H new ATOM 0 HD23 LEU A 98 13.709 -31.155 -2.096 1.00 24.12 H new ATOM 1531 N ILE A 99 16.360 -27.263 -0.105 1.00 14.23 N ATOM 1532 CA ILE A 99 16.660 -25.837 -0.105 1.00 35.14 C ATOM 1533 C ILE A 99 17.845 -25.523 -1.012 1.00 52.03 C ATOM 1534 O ILE A 99 17.959 -24.420 -1.544 1.00 51.23 O ATOM 1535 CB ILE A 99 16.965 -25.326 1.315 1.00 70.21 C ATOM 1536 CG1 ILE A 99 18.143 -26.097 1.916 1.00 34.25 C ATOM 1537 CG2 ILE A 99 15.734 -25.453 2.200 1.00 43.42 C ATOM 1538 CD1 ILE A 99 19.490 -25.489 1.595 1.00 52.41 C ATOM 0 H ILE A 99 16.613 -27.747 0.756 1.00 14.23 H new ATOM 0 HA ILE A 99 15.773 -25.329 -0.483 1.00 35.14 H new ATOM 0 HB ILE A 99 17.238 -24.272 1.255 1.00 70.21 H new ATOM 0 HG12 ILE A 99 18.023 -26.142 2.998 1.00 34.25 H new ATOM 0 HG13 ILE A 99 18.120 -27.123 1.549 1.00 34.25 H new ATOM 0 HG21 ILE A 99 15.966 -25.088 3.200 1.00 43.42 H new ATOM 0 HG22 ILE A 99 14.920 -24.863 1.778 1.00 43.42 H new ATOM 0 HG23 ILE A 99 15.433 -26.499 2.256 1.00 43.42 H new ATOM 0 HD11 ILE A 99 20.278 -26.087 2.053 1.00 52.41 H new ATOM 0 HD12 ILE A 99 19.632 -25.468 0.514 1.00 52.41 H new ATOM 0 HD13 ILE A 99 19.533 -24.472 1.986 1.00 52.41 H new ATOM 1550 N PHE A 100 18.725 -26.505 -1.186 1.00 71.24 N ATOM 1551 CA PHE A 100 19.902 -26.335 -2.029 1.00 72.33 C ATOM 1552 C PHE A 100 19.515 -26.315 -3.505 1.00 42.50 C ATOM 1553 O PHE A 100 20.303 -25.911 -4.361 1.00 71.51 O ATOM 1554 CB PHE A 100 20.908 -27.458 -1.771 1.00 70.10 C ATOM 1555 CG PHE A 100 22.119 -27.394 -2.656 1.00 5.21 C ATOM 1556 CD1 PHE A 100 23.137 -26.490 -2.395 1.00 32.30 C ATOM 1557 CD2 PHE A 100 22.240 -28.237 -3.749 1.00 64.21 C ATOM 1558 CE1 PHE A 100 24.253 -26.429 -3.208 1.00 55.43 C ATOM 1559 CE2 PHE A 100 23.355 -28.180 -4.564 1.00 44.14 C ATOM 1560 CZ PHE A 100 24.363 -27.274 -4.294 1.00 4.43 C ATOM 0 H PHE A 100 18.645 -27.426 -0.754 1.00 71.24 H new ATOM 0 HA PHE A 100 20.362 -25.379 -1.778 1.00 72.33 H new ATOM 0 HB2 PHE A 100 21.227 -27.417 -0.729 1.00 70.10 H new ATOM 0 HB3 PHE A 100 20.413 -28.418 -1.915 1.00 70.10 H new ATOM 0 HD1 PHE A 100 23.057 -25.826 -1.547 1.00 32.30 H new ATOM 0 HD2 PHE A 100 21.455 -28.946 -3.966 1.00 64.21 H new ATOM 0 HE1 PHE A 100 25.039 -25.720 -2.994 1.00 55.43 H new ATOM 0 HE2 PHE A 100 23.438 -28.844 -5.412 1.00 44.14 H new ATOM 0 HZ PHE A 100 25.234 -27.227 -4.931 1.00 4.43 H new ATOM 1570 N LEU A 101 18.295 -26.754 -3.796 1.00 25.32 N ATOM 1571 CA LEU A 101 17.802 -26.788 -5.169 1.00 40.32 C ATOM 1572 C LEU A 101 17.428 -25.388 -5.648 1.00 65.23 C ATOM 1573 O LEU A 101 17.592 -25.058 -6.823 1.00 62.41 O ATOM 1574 CB LEU A 101 16.589 -27.714 -5.274 1.00 25.44 C ATOM 1575 CG LEU A 101 16.890 -29.214 -5.287 1.00 23.22 C ATOM 1576 CD1 LEU A 101 15.661 -30.009 -4.874 1.00 4.34 C ATOM 1577 CD2 LEU A 101 17.372 -29.649 -6.663 1.00 22.30 C ATOM 0 H LEU A 101 17.630 -27.091 -3.100 1.00 25.32 H new ATOM 0 HA LEU A 101 18.600 -27.170 -5.806 1.00 40.32 H new ATOM 0 HB2 LEU A 101 15.923 -27.504 -4.437 1.00 25.44 H new ATOM 0 HB3 LEU A 101 16.044 -27.465 -6.185 1.00 25.44 H new ATOM 0 HG LEU A 101 17.684 -29.412 -4.567 1.00 23.22 H new ATOM 0 HD11 LEU A 101 15.894 -31.074 -4.889 1.00 4.34 H new ATOM 0 HD12 LEU A 101 15.361 -29.718 -3.868 1.00 4.34 H new ATOM 0 HD13 LEU A 101 14.846 -29.806 -5.569 1.00 4.34 H new ATOM 0 HD21 LEU A 101 17.581 -30.719 -6.654 1.00 22.30 H new ATOM 0 HD22 LEU A 101 16.600 -29.437 -7.403 1.00 22.30 H new ATOM 0 HD23 LEU A 101 18.280 -29.104 -6.920 1.00 22.30 H new ATOM 1589 N LEU A 102 16.928 -24.569 -4.730 1.00 30.55 N ATOM 1590 CA LEU A 102 16.533 -23.203 -5.058 1.00 44.41 C ATOM 1591 C LEU A 102 17.731 -22.260 -4.998 1.00 35.10 C ATOM 1592 O LEU A 102 17.639 -21.099 -5.393 1.00 24.35 O ATOM 1593 CB LEU A 102 15.443 -22.722 -4.099 1.00 74.32 C ATOM 1594 CG LEU A 102 14.002 -23.001 -4.526 1.00 21.44 C ATOM 1595 CD1 LEU A 102 13.835 -24.460 -4.920 1.00 14.34 C ATOM 1596 CD2 LEU A 102 13.034 -22.633 -3.411 1.00 31.25 C ATOM 0 H LEU A 102 16.786 -24.826 -3.753 1.00 30.55 H new ATOM 0 HA LEU A 102 16.141 -23.199 -6.075 1.00 44.41 H new ATOM 0 HB2 LEU A 102 15.610 -23.188 -3.128 1.00 74.32 H new ATOM 0 HB3 LEU A 102 15.558 -21.647 -3.960 1.00 74.32 H new ATOM 0 HG LEU A 102 13.775 -22.383 -5.395 1.00 21.44 H new ATOM 0 HD11 LEU A 102 12.803 -24.640 -5.221 1.00 14.34 H new ATOM 0 HD12 LEU A 102 14.501 -24.691 -5.751 1.00 14.34 H new ATOM 0 HD13 LEU A 102 14.081 -25.097 -4.070 1.00 14.34 H new ATOM 0 HD21 LEU A 102 12.013 -22.838 -3.733 1.00 31.25 H new ATOM 0 HD22 LEU A 102 13.260 -23.223 -2.523 1.00 31.25 H new ATOM 0 HD23 LEU A 102 13.134 -21.573 -3.177 1.00 31.25 H new ATOM 1608 N GLU A 103 18.854 -22.770 -4.501 1.00 43.15 N ATOM 1609 CA GLU A 103 20.070 -21.974 -4.392 1.00 3.21 C ATOM 1610 C GLU A 103 20.563 -21.540 -5.769 1.00 63.23 C ATOM 1611 O GLU A 103 20.796 -20.359 -6.030 1.00 12.34 O ATOM 1612 CB GLU A 103 21.164 -22.768 -3.674 1.00 45.21 C ATOM 1613 CG GLU A 103 21.185 -22.553 -2.170 1.00 43.34 C ATOM 1614 CD GLU A 103 22.323 -23.289 -1.491 1.00 35.30 C ATOM 1615 OE1 GLU A 103 23.335 -23.569 -2.167 1.00 3.05 O ATOM 1616 OE2 GLU A 103 22.202 -23.585 -0.284 1.00 12.12 O1- ATOM 0 H GLU A 103 18.946 -23.730 -4.168 1.00 43.15 H new ATOM 0 HA GLU A 103 19.837 -21.082 -3.811 1.00 3.21 H new ATOM 0 HB2 GLU A 103 21.025 -23.829 -3.879 1.00 45.21 H new ATOM 0 HB3 GLU A 103 22.134 -22.489 -4.086 1.00 45.21 H new ATOM 0 HG2 GLU A 103 21.271 -21.487 -1.960 1.00 43.34 H new ATOM 0 HG3 GLU A 103 20.238 -22.886 -1.746 1.00 43.34 H new ATOM 1623 N PRO A 104 20.728 -22.517 -6.673 1.00 1.41 N ATOM 1624 CA PRO A 104 21.194 -22.261 -8.039 1.00 73.13 C ATOM 1625 C PRO A 104 20.156 -21.526 -8.879 1.00 4.23 C ATOM 1626 O PRO A 104 20.434 -21.107 -10.002 1.00 22.01 O ATOM 1627 CB PRO A 104 21.438 -23.665 -8.600 1.00 53.34 C ATOM 1628 CG PRO A 104 20.539 -24.550 -7.807 1.00 15.34 C ATOM 1629 CD PRO A 104 20.470 -23.947 -6.432 1.00 52.44 C ATOM 0 HA PRO A 104 22.076 -21.621 -8.054 1.00 73.13 H new ATOM 0 HB2 PRO A 104 21.204 -23.713 -9.663 1.00 53.34 H new ATOM 0 HB3 PRO A 104 22.482 -23.960 -8.490 1.00 53.34 H new ATOM 0 HG2 PRO A 104 19.549 -24.605 -8.259 1.00 15.34 H new ATOM 0 HG3 PRO A 104 20.929 -25.567 -7.768 1.00 15.34 H new ATOM 0 HD2 PRO A 104 19.495 -24.107 -5.971 1.00 52.44 H new ATOM 0 HD3 PRO A 104 21.214 -24.383 -5.764 1.00 52.44 H new ATOM 1637 N PHE A 105 18.956 -21.372 -8.327 1.00 2.15 N ATOM 1638 CA PHE A 105 17.875 -20.687 -9.025 1.00 32.10 C ATOM 1639 C PHE A 105 17.772 -19.233 -8.574 1.00 31.15 C ATOM 1640 O PHE A 105 17.153 -18.407 -9.245 1.00 64.30 O ATOM 1641 CB PHE A 105 16.546 -21.404 -8.780 1.00 54.33 C ATOM 1642 CG PHE A 105 16.540 -22.832 -9.246 1.00 41.41 C ATOM 1643 CD1 PHE A 105 17.317 -23.226 -10.325 1.00 74.43 C ATOM 1644 CD2 PHE A 105 15.759 -23.781 -8.607 1.00 1.41 C ATOM 1645 CE1 PHE A 105 17.315 -24.539 -10.756 1.00 11.53 C ATOM 1646 CE2 PHE A 105 15.753 -25.095 -9.034 1.00 3.32 C ATOM 1647 CZ PHE A 105 16.531 -25.474 -10.110 1.00 12.30 C ATOM 0 H PHE A 105 18.708 -21.713 -7.398 1.00 2.15 H new ATOM 0 HA PHE A 105 18.097 -20.703 -10.092 1.00 32.10 H new ATOM 0 HB2 PHE A 105 16.319 -21.377 -7.714 1.00 54.33 H new ATOM 0 HB3 PHE A 105 15.750 -20.861 -9.289 1.00 54.33 H new ATOM 0 HD1 PHE A 105 17.931 -22.498 -10.835 1.00 74.43 H new ATOM 0 HD2 PHE A 105 15.148 -23.490 -7.765 1.00 1.41 H new ATOM 0 HE1 PHE A 105 17.926 -24.833 -11.597 1.00 11.53 H new ATOM 0 HE2 PHE A 105 15.140 -25.825 -8.526 1.00 3.32 H new ATOM 0 HZ PHE A 105 16.526 -26.500 -10.446 1.00 12.30 H new ATOM 1657 N ILE A 106 18.382 -18.929 -7.434 1.00 24.22 N ATOM 1658 CA ILE A 106 18.359 -17.575 -6.893 1.00 75.54 C ATOM 1659 C ILE A 106 18.804 -16.558 -7.938 1.00 2.34 C ATOM 1660 O ILE A 106 18.176 -15.514 -8.111 1.00 3.54 O ATOM 1661 CB ILE A 106 19.264 -17.449 -5.653 1.00 33.34 C ATOM 1662 CG1 ILE A 106 18.598 -18.101 -4.441 1.00 1.44 C ATOM 1663 CG2 ILE A 106 19.574 -15.987 -5.370 1.00 24.41 C ATOM 1664 CD1 ILE A 106 19.581 -18.561 -3.386 1.00 25.24 C ATOM 0 H ILE A 106 18.898 -19.601 -6.867 1.00 24.22 H new ATOM 0 HA ILE A 106 17.329 -17.368 -6.604 1.00 75.54 H new ATOM 0 HB ILE A 106 20.202 -17.967 -5.852 1.00 33.34 H new ATOM 0 HG12 ILE A 106 17.902 -17.391 -3.993 1.00 1.44 H new ATOM 0 HG13 ILE A 106 18.010 -18.956 -4.776 1.00 1.44 H new ATOM 0 HG21 ILE A 106 20.214 -15.914 -4.491 1.00 24.41 H new ATOM 0 HG22 ILE A 106 20.085 -15.551 -6.228 1.00 24.41 H new ATOM 0 HG23 ILE A 106 18.645 -15.447 -5.188 1.00 24.41 H new ATOM 0 HD11 ILE A 106 19.039 -19.013 -2.556 1.00 25.24 H new ATOM 0 HD12 ILE A 106 20.261 -19.295 -3.818 1.00 25.24 H new ATOM 0 HD13 ILE A 106 20.152 -17.706 -3.023 1.00 25.24 H new ATOM 1676 N ALA A 107 19.891 -16.872 -8.636 1.00 3.35 N ATOM 1677 CA ALA A 107 20.418 -15.988 -9.668 1.00 34.20 C ATOM 1678 C ALA A 107 19.396 -15.769 -10.779 1.00 53.41 C ATOM 1679 O ALA A 107 19.301 -14.679 -11.343 1.00 32.33 O ATOM 1680 CB ALA A 107 21.708 -16.554 -10.241 1.00 64.22 C ATOM 0 H ALA A 107 20.423 -17.732 -8.505 1.00 3.35 H new ATOM 0 HA ALA A 107 20.630 -15.022 -9.209 1.00 34.20 H new ATOM 0 HB1 ALA A 107 22.090 -15.883 -11.010 1.00 64.22 H new ATOM 0 HB2 ALA A 107 22.447 -16.652 -9.446 1.00 64.22 H new ATOM 0 HB3 ALA A 107 21.513 -17.533 -10.678 1.00 64.22 H new ATOM 1686 N SER A 108 18.633 -16.812 -11.088 1.00 21.15 N ATOM 1687 CA SER A 108 17.620 -16.735 -12.134 1.00 44.42 C ATOM 1688 C SER A 108 16.721 -15.519 -11.932 1.00 32.13 C ATOM 1689 O SER A 108 16.193 -14.956 -12.892 1.00 64.31 O ATOM 1690 CB SER A 108 16.775 -18.011 -12.150 1.00 55.01 C ATOM 1691 OG SER A 108 17.579 -19.158 -11.938 1.00 5.42 O ATOM 0 H SER A 108 18.697 -17.721 -10.629 1.00 21.15 H new ATOM 0 HA SER A 108 18.130 -16.633 -13.092 1.00 44.42 H new ATOM 0 HB2 SER A 108 16.008 -17.953 -11.377 1.00 55.01 H new ATOM 0 HB3 SER A 108 16.258 -18.097 -13.106 1.00 55.01 H new ATOM 0 HG SER A 108 17.015 -19.960 -11.951 1.00 5.42 H new