USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 775 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 SER OG : rot -118:sc= 0.96 USER MOD Set 1.2: A 89 GLN :FLIP amide:sc= -0.546 F(o=-1.7,f=0.41) USER MOD Set 2.1: A 45 LYS NZ :NH3+ 148:sc= 0.593 (180deg=0) USER MOD Set 2.2: A 80 GLN : amide:sc= -0.7 K(o=-0.48,f=-4.9!) USER MOD Set 2.3: A 84 THR OG1 : rot -140:sc= -0.374 USER MOD Set 3.1: A 50 HIS : no HE2:sc= 0.643 K(o=1.6,f=-3.5) USER MOD Set 3.2: A 105 CYS SG : rot 54:sc= 0.966 USER MOD Set 4.1: A 44 SER OG : rot 19:sc= 1.35 USER MOD Set 4.2: A 51 SER OG : rot 69:sc= -0.018 USER MOD Set 4.3: A 52 THR OG1 : rot -26:sc= 1.2 USER MOD Set 5.1: A 41 MET CE :methyl -127:sc= -5.87! (180deg=-11.2!) USER MOD Set 5.2: A 94 ASN : amide:sc= -5.38! C(o=-11!,f=-14!) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -3:sc= -0.539 USER MOD Single : A 55 LYS NZ :NH3+ -126:sc= -0.245 (180deg=-0.597) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -25:sc= 0.374 USER MOD Single : A 65 TYR OH : rot 120:sc= 0.391 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0.0835 USER MOD Single : A 88 ASN : amide:sc= -0.0866 X(o=-0.087,f=-0.55) USER MOD Single : A 90 LYS NZ :NH3+ 162:sc= -0.113 (180deg=-0.502) USER MOD Single : A 91 THR OG1 : rot 160:sc= 0.0454 USER MOD Single : A 98 ASN : amide:sc= -0.535 K(o=-0.54,f=-1.2!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.45 X(o=-0.45,f=-0.31) USER MOD Single : A 108 THR OG1 : rot -115:sc= -2.04 USER MOD Single : A 110 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.032) USER MOD Single : A 112 HIS : no HD1:sc= -0.874 K(o=-0.87,f=-1.8) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 ASN :FLIP amide:sc= -0.0732 F(o=-0.82,f=-0.073) USER MOD Single : A 118 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.22) USER MOD Single : A 119 LYS NZ :NH3+ -152:sc= -0.0055 (180deg=-1.12) USER MOD ----------------------------------------------------------------- ATOM 65 N LEU A 27 3.058 -2.511 -5.782 1.00 21.24 N ATOM 66 CA LEU A 27 4.190 -3.303 -6.251 1.00 31.22 C ATOM 67 C LEU A 27 3.751 -4.302 -7.316 1.00 72.43 C ATOM 68 O LEU A 27 4.241 -4.276 -8.445 1.00 70.44 O ATOM 69 CB LEU A 27 4.841 -4.042 -5.080 1.00 40.32 C ATOM 70 CG LEU A 27 5.749 -5.215 -5.449 1.00 25.22 C ATOM 71 CD1 LEU A 27 7.176 -4.949 -4.994 1.00 30.44 C ATOM 72 CD2 LEU A 27 5.225 -6.507 -4.839 1.00 63.34 C ATOM 0 HA LEU A 27 4.918 -2.624 -6.694 1.00 31.22 H new ATOM 0 HB2 LEU A 27 5.424 -3.325 -4.503 1.00 40.32 H new ATOM 0 HB3 LEU A 27 4.052 -4.411 -4.425 1.00 40.32 H new ATOM 0 HG LEU A 27 5.749 -5.322 -6.534 1.00 25.22 H new ATOM 0 HD11 LEU A 27 7.808 -5.795 -5.265 1.00 30.44 H new ATOM 0 HD12 LEU A 27 7.550 -4.047 -5.478 1.00 30.44 H new ATOM 0 HD13 LEU A 27 7.194 -4.815 -3.912 1.00 30.44 H new ATOM 0 HD21 LEU A 27 5.884 -7.332 -5.112 1.00 63.34 H new ATOM 0 HD22 LEU A 27 5.195 -6.411 -3.754 1.00 63.34 H new ATOM 0 HD23 LEU A 27 4.221 -6.705 -5.214 1.00 63.34 H new ATOM 84 N ARG A 28 2.823 -5.181 -6.950 1.00 50.41 N ATOM 85 CA ARG A 28 2.317 -6.188 -7.875 1.00 11.22 C ATOM 86 C ARG A 28 1.831 -5.542 -9.169 1.00 74.10 C ATOM 87 O ARG A 28 2.032 -6.082 -10.257 1.00 52.42 O ATOM 88 CB ARG A 28 1.179 -6.979 -7.228 1.00 14.12 C ATOM 89 CG ARG A 28 0.977 -8.360 -7.830 1.00 43.33 C ATOM 90 CD ARG A 28 0.441 -8.275 -9.251 1.00 24.02 C ATOM 91 NE ARG A 28 -0.606 -9.262 -9.500 1.00 41.15 N ATOM 92 CZ ARG A 28 -1.853 -9.137 -9.061 1.00 31.12 C ATOM 93 NH1 ARG A 28 -2.207 -8.073 -8.353 1.00 42.14 N ATOM 94 NH2 ARG A 28 -2.750 -10.078 -9.329 1.00 3.21 N ATOM 0 H ARG A 28 2.407 -5.216 -6.020 1.00 50.41 H new ATOM 0 HA ARG A 28 3.134 -6.869 -8.114 1.00 11.22 H new ATOM 0 HB2 ARG A 28 1.381 -7.083 -6.162 1.00 14.12 H new ATOM 0 HB3 ARG A 28 0.253 -6.411 -7.324 1.00 14.12 H new ATOM 0 HG2 ARG A 28 1.923 -8.901 -7.829 1.00 43.33 H new ATOM 0 HG3 ARG A 28 0.283 -8.930 -7.212 1.00 43.33 H new ATOM 0 HD2 ARG A 28 0.047 -7.275 -9.431 1.00 24.02 H new ATOM 0 HD3 ARG A 28 1.258 -8.427 -9.956 1.00 24.02 H new ATOM 0 HE ARG A 28 -0.366 -10.093 -10.041 1.00 41.15 H new ATOM 0 HH11 ARG A 28 -1.521 -7.348 -8.144 1.00 42.14 H new ATOM 0 HH12 ARG A 28 -3.166 -7.980 -8.017 1.00 42.14 H new ATOM 0 HH21 ARG A 28 -2.482 -10.898 -9.873 1.00 3.21 H new ATOM 0 HH22 ARG A 28 -3.708 -9.981 -8.991 1.00 3.21 H new ATOM 108 N ARG A 29 1.189 -4.385 -9.042 1.00 44.14 N ATOM 109 CA ARG A 29 0.673 -3.667 -10.201 1.00 51.23 C ATOM 110 C ARG A 29 1.792 -3.353 -11.190 1.00 2.14 C ATOM 111 O ARG A 29 1.546 -3.156 -12.380 1.00 13.44 O ATOM 112 CB ARG A 29 -0.012 -2.371 -9.762 1.00 30.54 C ATOM 113 CG ARG A 29 -1.465 -2.273 -10.197 1.00 0.32 C ATOM 114 CD ARG A 29 -2.409 -2.713 -9.089 1.00 54.22 C ATOM 115 NE ARG A 29 -2.723 -1.621 -8.171 1.00 42.02 N ATOM 116 CZ ARG A 29 -3.613 -0.671 -8.435 1.00 72.34 C ATOM 117 NH1 ARG A 29 -4.275 -0.680 -9.584 1.00 52.21 N ATOM 118 NH2 ARG A 29 -3.843 0.289 -7.549 1.00 53.13 N ATOM 0 H ARG A 29 1.014 -3.925 -8.148 1.00 44.14 H new ATOM 0 HA ARG A 29 -0.057 -4.307 -10.696 1.00 51.23 H new ATOM 0 HB2 ARG A 29 0.039 -2.293 -8.676 1.00 30.54 H new ATOM 0 HB3 ARG A 29 0.538 -1.523 -10.169 1.00 30.54 H new ATOM 0 HG2 ARG A 29 -1.692 -1.246 -10.483 1.00 0.32 H new ATOM 0 HG3 ARG A 29 -1.624 -2.892 -11.080 1.00 0.32 H new ATOM 0 HD2 ARG A 29 -3.331 -3.094 -9.528 1.00 54.22 H new ATOM 0 HD3 ARG A 29 -1.958 -3.535 -8.533 1.00 54.22 H new ATOM 0 HE ARG A 29 -2.232 -1.586 -7.278 1.00 42.02 H new ATOM 0 HH11 ARG A 29 -4.101 -1.417 -10.267 1.00 52.21 H new ATOM 0 HH12 ARG A 29 -4.958 0.050 -9.785 1.00 52.21 H new ATOM 0 HH21 ARG A 29 -3.336 0.298 -6.664 1.00 53.13 H new ATOM 0 HH22 ARG A 29 -4.527 1.018 -7.753 1.00 53.13 H new ATOM 132 N ARG A 30 3.022 -3.308 -10.688 1.00 41.10 N ATOM 133 CA ARG A 30 4.179 -3.016 -11.526 1.00 72.22 C ATOM 134 C ARG A 30 4.707 -4.287 -12.185 1.00 23.23 C ATOM 135 O ARG A 30 5.132 -4.270 -13.341 1.00 14.10 O ATOM 136 CB ARG A 30 5.285 -2.361 -10.696 1.00 75.33 C ATOM 137 CG ARG A 30 6.275 -1.561 -11.525 1.00 42.55 C ATOM 138 CD ARG A 30 7.331 -0.904 -10.650 1.00 43.35 C ATOM 139 NE ARG A 30 6.845 0.329 -10.037 1.00 54.12 N ATOM 140 CZ ARG A 30 6.642 1.455 -10.712 1.00 0.32 C ATOM 141 NH1 ARG A 30 6.883 1.504 -12.015 1.00 34.12 N ATOM 142 NH2 ARG A 30 6.197 2.536 -10.083 1.00 64.01 N ATOM 0 H ARG A 30 3.243 -3.470 -9.705 1.00 41.10 H new ATOM 0 HA ARG A 30 3.865 -2.325 -12.308 1.00 72.22 H new ATOM 0 HB2 ARG A 30 4.830 -1.704 -9.954 1.00 75.33 H new ATOM 0 HB3 ARG A 30 5.824 -3.135 -10.149 1.00 75.33 H new ATOM 0 HG2 ARG A 30 6.758 -2.217 -12.250 1.00 42.55 H new ATOM 0 HG3 ARG A 30 5.743 -0.797 -12.091 1.00 42.55 H new ATOM 0 HD2 ARG A 30 7.639 -1.600 -9.870 1.00 43.35 H new ATOM 0 HD3 ARG A 30 8.215 -0.687 -11.250 1.00 43.35 H new ATOM 0 HE ARG A 30 6.651 0.326 -9.036 1.00 54.12 H new ATOM 0 HH11 ARG A 30 7.225 0.676 -12.502 1.00 34.12 H new ATOM 0 HH12 ARG A 30 6.726 2.370 -12.530 1.00 34.12 H new ATOM 0 HH21 ARG A 30 6.011 2.502 -9.081 1.00 64.01 H new ATOM 0 HH22 ARG A 30 6.041 3.400 -10.602 1.00 64.01 H new ATOM 156 N LEU A 31 4.679 -5.388 -11.441 1.00 43.25 N ATOM 157 CA LEU A 31 5.156 -6.668 -11.952 1.00 70.44 C ATOM 158 C LEU A 31 4.239 -7.191 -13.054 1.00 0.51 C ATOM 159 O LEU A 31 4.689 -7.860 -13.984 1.00 53.54 O ATOM 160 CB LEU A 31 5.244 -7.691 -10.819 1.00 32.54 C ATOM 161 CG LEU A 31 5.744 -7.162 -9.474 1.00 51.01 C ATOM 162 CD1 LEU A 31 5.882 -8.297 -8.471 1.00 72.04 C ATOM 163 CD2 LEU A 31 7.070 -6.436 -9.647 1.00 22.24 C ATOM 0 H LEU A 31 4.331 -5.420 -10.483 1.00 43.25 H new ATOM 0 HA LEU A 31 6.150 -6.515 -12.373 1.00 70.44 H new ATOM 0 HB2 LEU A 31 4.255 -8.125 -10.671 1.00 32.54 H new ATOM 0 HB3 LEU A 31 5.903 -8.499 -11.137 1.00 32.54 H new ATOM 0 HG LEU A 31 5.011 -6.453 -9.089 1.00 51.01 H new ATOM 0 HD11 LEU A 31 6.239 -7.901 -7.520 1.00 72.04 H new ATOM 0 HD12 LEU A 31 4.913 -8.773 -8.325 1.00 72.04 H new ATOM 0 HD13 LEU A 31 6.594 -9.031 -8.848 1.00 72.04 H new ATOM 0 HD21 LEU A 31 7.411 -6.066 -8.680 1.00 22.24 H new ATOM 0 HD22 LEU A 31 7.811 -7.124 -10.054 1.00 22.24 H new ATOM 0 HD23 LEU A 31 6.939 -5.597 -10.331 1.00 22.24 H new ATOM 175 N ARG A 32 2.952 -6.878 -12.943 1.00 30.54 N ATOM 176 CA ARG A 32 1.972 -7.315 -13.930 1.00 32.34 C ATOM 177 C ARG A 32 1.912 -6.343 -15.104 1.00 1.21 C ATOM 178 O ARG A 32 1.577 -6.727 -16.224 1.00 54.24 O ATOM 179 CB ARG A 32 0.590 -7.440 -13.286 1.00 75.32 C ATOM 180 CG ARG A 32 0.279 -8.838 -12.777 1.00 72.31 C ATOM 181 CD ARG A 32 0.096 -9.821 -13.923 1.00 53.33 C ATOM 182 NE ARG A 32 -1.286 -9.862 -14.393 1.00 54.25 N ATOM 183 CZ ARG A 32 -1.788 -10.858 -15.116 1.00 4.43 C ATOM 184 NH1 ARG A 32 -1.024 -11.889 -15.448 1.00 72.35 N ATOM 185 NH2 ARG A 32 -3.055 -10.823 -15.506 1.00 53.11 N ATOM 0 H ARG A 32 2.564 -6.324 -12.180 1.00 30.54 H new ATOM 0 HA ARG A 32 2.281 -8.291 -14.305 1.00 32.34 H new ATOM 0 HB2 ARG A 32 0.520 -6.737 -12.456 1.00 75.32 H new ATOM 0 HB3 ARG A 32 -0.168 -7.151 -14.014 1.00 75.32 H new ATOM 0 HG2 ARG A 32 1.087 -9.179 -12.130 1.00 72.31 H new ATOM 0 HG3 ARG A 32 -0.626 -8.812 -12.170 1.00 72.31 H new ATOM 0 HD2 ARG A 32 0.751 -9.542 -14.748 1.00 53.33 H new ATOM 0 HD3 ARG A 32 0.398 -10.817 -13.598 1.00 53.33 H new ATOM 0 HE ARG A 32 -1.900 -9.083 -14.153 1.00 54.25 H new ATOM 0 HH11 ARG A 32 -0.049 -11.919 -15.149 1.00 72.35 H new ATOM 0 HH12 ARG A 32 -1.411 -12.653 -16.003 1.00 72.35 H new ATOM 0 HH21 ARG A 32 -3.645 -10.031 -15.251 1.00 53.11 H new ATOM 0 HH22 ARG A 32 -3.439 -11.588 -16.061 1.00 53.11 H new ATOM 199 N ASP A 33 2.239 -5.083 -14.839 1.00 1.22 N ATOM 200 CA ASP A 33 2.223 -4.055 -15.873 1.00 63.03 C ATOM 201 C ASP A 33 3.535 -4.048 -16.653 1.00 32.15 C ATOM 202 O ASP A 33 3.580 -3.625 -17.808 1.00 44.53 O ATOM 203 CB ASP A 33 1.978 -2.679 -15.252 1.00 31.34 C ATOM 204 CG ASP A 33 0.522 -2.459 -14.890 1.00 42.20 C ATOM 205 OD1 ASP A 33 -0.337 -3.197 -15.414 1.00 73.41 O ATOM 206 OD2 ASP A 33 0.242 -1.547 -14.084 1.00 3.14 O ATOM 0 H ASP A 33 2.518 -4.749 -13.917 1.00 1.22 H new ATOM 0 HA ASP A 33 1.411 -4.283 -16.564 1.00 63.03 H new ATOM 0 HB2 ASP A 33 2.592 -2.573 -14.358 1.00 31.34 H new ATOM 0 HB3 ASP A 33 2.297 -1.906 -15.951 1.00 31.34 H new ATOM 211 N LEU A 34 4.600 -4.519 -16.013 1.00 14.34 N ATOM 212 CA LEU A 34 5.913 -4.566 -16.645 1.00 63.11 C ATOM 213 C LEU A 34 5.870 -5.388 -17.929 1.00 51.35 C ATOM 214 O LEU A 34 6.726 -5.239 -18.802 1.00 53.33 O ATOM 215 CB LEU A 34 6.944 -5.158 -15.682 1.00 72.10 C ATOM 216 CG LEU A 34 8.315 -5.476 -16.279 1.00 3.12 C ATOM 217 CD1 LEU A 34 8.838 -4.291 -17.077 1.00 34.41 C ATOM 218 CD2 LEU A 34 9.299 -5.858 -15.182 1.00 14.30 C ATOM 0 H LEU A 34 4.579 -4.874 -15.057 1.00 14.34 H new ATOM 0 HA LEU A 34 6.204 -3.546 -16.897 1.00 63.11 H new ATOM 0 HB2 LEU A 34 7.083 -4.460 -14.856 1.00 72.10 H new ATOM 0 HB3 LEU A 34 6.533 -6.075 -15.259 1.00 72.10 H new ATOM 0 HG LEU A 34 8.207 -6.324 -16.955 1.00 3.12 H new ATOM 0 HD11 LEU A 34 9.815 -4.536 -17.494 1.00 34.41 H new ATOM 0 HD12 LEU A 34 8.144 -4.063 -17.886 1.00 34.41 H new ATOM 0 HD13 LEU A 34 8.930 -3.424 -16.423 1.00 34.41 H new ATOM 0 HD21 LEU A 34 10.269 -6.081 -15.625 1.00 14.30 H new ATOM 0 HD22 LEU A 34 9.402 -5.030 -14.481 1.00 14.30 H new ATOM 0 HD23 LEU A 34 8.931 -6.737 -14.653 1.00 14.30 H new ATOM 230 N ILE A 35 4.867 -6.253 -18.039 1.00 4.23 N ATOM 231 CA ILE A 35 4.711 -7.095 -19.218 1.00 31.21 C ATOM 232 C ILE A 35 4.179 -6.292 -20.400 1.00 63.43 C ATOM 233 O ILE A 35 4.379 -6.665 -21.556 1.00 24.22 O ATOM 234 CB ILE A 35 3.760 -8.276 -18.944 1.00 44.34 C ATOM 235 CG1 ILE A 35 4.257 -9.092 -17.749 1.00 71.34 C ATOM 236 CG2 ILE A 35 3.639 -9.155 -20.180 1.00 32.01 C ATOM 237 CD1 ILE A 35 3.370 -8.978 -16.529 1.00 44.41 C ATOM 0 H ILE A 35 4.151 -6.389 -17.326 1.00 4.23 H new ATOM 0 HA ILE A 35 5.700 -7.484 -19.462 1.00 31.21 H new ATOM 0 HB ILE A 35 2.773 -7.881 -18.705 1.00 44.34 H new ATOM 0 HG12 ILE A 35 4.329 -10.140 -18.040 1.00 71.34 H new ATOM 0 HG13 ILE A 35 5.263 -8.764 -17.489 1.00 71.34 H new ATOM 0 HG21 ILE A 35 2.964 -9.985 -19.971 1.00 32.01 H new ATOM 0 HG22 ILE A 35 3.245 -8.566 -21.008 1.00 32.01 H new ATOM 0 HG23 ILE A 35 4.621 -9.544 -20.447 1.00 32.01 H new ATOM 0 HD11 ILE A 35 3.783 -9.582 -15.721 1.00 44.41 H new ATOM 0 HD12 ILE A 35 3.318 -7.936 -16.213 1.00 44.41 H new ATOM 0 HD13 ILE A 35 2.369 -9.334 -16.773 1.00 44.41 H new ATOM 249 N GLU A 36 3.502 -5.188 -20.102 1.00 44.33 N ATOM 250 CA GLU A 36 2.943 -4.332 -21.142 1.00 10.43 C ATOM 251 C GLU A 36 3.992 -3.354 -21.664 1.00 14.31 C ATOM 252 O GLU A 36 4.024 -3.037 -22.852 1.00 71.33 O ATOM 253 CB GLU A 36 1.735 -3.562 -20.604 1.00 11.11 C ATOM 254 CG GLU A 36 0.934 -2.855 -21.684 1.00 52.41 C ATOM 255 CD GLU A 36 -0.189 -2.008 -21.117 1.00 40.54 C ATOM 256 OE1 GLU A 36 -0.278 -1.894 -19.877 1.00 22.42 O ATOM 257 OE2 GLU A 36 -0.979 -1.458 -21.914 1.00 24.33 O ATOM 0 H GLU A 36 3.327 -4.865 -19.150 1.00 44.33 H new ATOM 0 HA GLU A 36 2.622 -4.968 -21.967 1.00 10.43 H new ATOM 0 HB2 GLU A 36 1.081 -4.254 -20.073 1.00 11.11 H new ATOM 0 HB3 GLU A 36 2.078 -2.826 -19.877 1.00 11.11 H new ATOM 0 HG2 GLU A 36 1.601 -2.223 -22.270 1.00 52.41 H new ATOM 0 HG3 GLU A 36 0.517 -3.596 -22.366 1.00 52.41 H new ATOM 264 N GLY A 37 4.848 -2.878 -20.765 1.00 42.41 N ATOM 265 CA GLY A 37 5.886 -1.940 -21.153 1.00 71.21 C ATOM 266 C GLY A 37 7.026 -2.611 -21.893 1.00 22.22 C ATOM 267 O GLY A 37 7.879 -1.940 -22.473 1.00 35.02 O ATOM 0 H GLY A 37 4.841 -3.125 -19.775 1.00 42.41 H new ATOM 0 HA2 GLY A 37 5.453 -1.165 -21.785 1.00 71.21 H new ATOM 0 HA3 GLY A 37 6.276 -1.445 -20.263 1.00 71.21 H new ATOM 271 N ASN A 38 7.043 -3.940 -21.871 1.00 50.01 N ATOM 272 CA ASN A 38 8.089 -4.702 -22.543 1.00 61.22 C ATOM 273 C ASN A 38 7.513 -5.950 -23.205 1.00 72.22 C ATOM 274 O ASN A 38 6.739 -6.688 -22.595 1.00 24.24 O ATOM 275 CB ASN A 38 9.181 -5.098 -21.547 1.00 51.30 C ATOM 276 CG ASN A 38 10.238 -4.022 -21.391 1.00 44.11 C ATOM 277 OD1 ASN A 38 11.102 -3.855 -22.253 1.00 32.13 O ATOM 278 ND2 ASN A 38 10.175 -3.286 -20.288 1.00 3.04 N ATOM 0 H ASN A 38 6.345 -4.511 -21.395 1.00 50.01 H new ATOM 0 HA ASN A 38 8.524 -4.069 -23.317 1.00 61.22 H new ATOM 0 HB2 ASN A 38 8.728 -5.302 -20.577 1.00 51.30 H new ATOM 0 HB3 ASN A 38 9.654 -6.023 -21.879 1.00 51.30 H new ATOM 0 HD21 ASN A 38 10.860 -2.547 -20.128 1.00 3.04 H new ATOM 0 HD22 ASN A 38 9.442 -3.459 -19.600 1.00 3.04 H new ATOM 285 N ARG A 39 7.896 -6.180 -24.457 1.00 54.40 N ATOM 286 CA ARG A 39 7.417 -7.338 -25.202 1.00 52.43 C ATOM 287 C ARG A 39 7.558 -8.612 -24.376 1.00 33.44 C ATOM 288 O ARG A 39 6.596 -9.361 -24.201 1.00 22.11 O ATOM 289 CB ARG A 39 8.189 -7.481 -26.515 1.00 52.53 C ATOM 290 CG ARG A 39 7.294 -7.576 -27.740 1.00 43.14 C ATOM 291 CD ARG A 39 7.414 -8.934 -28.414 1.00 25.24 C ATOM 292 NE ARG A 39 7.371 -8.829 -29.870 1.00 22.24 N ATOM 293 CZ ARG A 39 7.853 -9.758 -30.688 1.00 1.10 C ATOM 294 NH1 ARG A 39 8.411 -10.855 -30.196 1.00 23.14 N ATOM 295 NH2 ARG A 39 7.777 -9.590 -32.002 1.00 74.31 N ATOM 0 H ARG A 39 8.537 -5.580 -24.976 1.00 54.40 H new ATOM 0 HA ARG A 39 6.361 -7.184 -25.424 1.00 52.43 H new ATOM 0 HB2 ARG A 39 8.857 -6.627 -26.629 1.00 52.53 H new ATOM 0 HB3 ARG A 39 8.816 -8.371 -26.463 1.00 52.53 H new ATOM 0 HG2 ARG A 39 6.258 -7.403 -27.449 1.00 43.14 H new ATOM 0 HG3 ARG A 39 7.561 -6.792 -28.449 1.00 43.14 H new ATOM 0 HD2 ARG A 39 8.349 -9.407 -28.112 1.00 25.24 H new ATOM 0 HD3 ARG A 39 6.605 -9.580 -28.073 1.00 25.24 H new ATOM 0 HE ARG A 39 6.948 -7.997 -30.281 1.00 22.24 H new ATOM 0 HH11 ARG A 39 8.471 -10.988 -29.186 1.00 23.14 H new ATOM 0 HH12 ARG A 39 8.780 -11.566 -30.827 1.00 23.14 H new ATOM 0 HH21 ARG A 39 7.348 -8.747 -32.384 1.00 74.31 H new ATOM 0 HH22 ARG A 39 8.147 -10.304 -32.630 1.00 74.31 H new ATOM 309 N VAL A 40 8.763 -8.853 -23.869 1.00 60.13 N ATOM 310 CA VAL A 40 9.030 -10.037 -23.061 1.00 1.44 C ATOM 311 C VAL A 40 9.488 -9.652 -21.658 1.00 74.01 C ATOM 312 O VAL A 40 10.255 -8.706 -21.482 1.00 63.53 O ATOM 313 CB VAL A 40 10.102 -10.931 -23.711 1.00 43.33 C ATOM 314 CG1 VAL A 40 10.116 -12.306 -23.063 1.00 30.43 C ATOM 315 CG2 VAL A 40 9.865 -11.041 -25.210 1.00 25.01 C ATOM 0 H VAL A 40 9.570 -8.244 -24.004 1.00 60.13 H new ATOM 0 HA VAL A 40 8.095 -10.593 -22.996 1.00 1.44 H new ATOM 0 HB VAL A 40 11.078 -10.472 -23.553 1.00 43.33 H new ATOM 0 HG11 VAL A 40 10.880 -12.923 -23.536 1.00 30.43 H new ATOM 0 HG12 VAL A 40 10.337 -12.205 -22.000 1.00 30.43 H new ATOM 0 HG13 VAL A 40 9.141 -12.777 -23.187 1.00 30.43 H new ATOM 0 HG21 VAL A 40 10.631 -11.676 -25.654 1.00 25.01 H new ATOM 0 HG22 VAL A 40 8.883 -11.477 -25.392 1.00 25.01 H new ATOM 0 HG23 VAL A 40 9.911 -10.049 -25.659 1.00 25.01 H new ATOM 325 N MET A 41 9.011 -10.392 -20.663 1.00 31.25 N ATOM 326 CA MET A 41 9.373 -10.129 -19.274 1.00 73.44 C ATOM 327 C MET A 41 9.820 -11.410 -18.577 1.00 74.53 C ATOM 328 O MET A 41 9.110 -12.417 -18.594 1.00 42.11 O ATOM 329 CB MET A 41 8.190 -9.513 -18.525 1.00 2.23 C ATOM 330 CG MET A 41 8.369 -9.497 -17.015 1.00 60.43 C ATOM 331 SD MET A 41 7.727 -10.985 -16.225 1.00 23.53 S ATOM 332 CE MET A 41 6.154 -10.390 -15.609 1.00 61.32 C ATOM 0 H MET A 41 8.374 -11.178 -20.792 1.00 31.25 H new ATOM 0 HA MET A 41 10.204 -9.424 -19.268 1.00 73.44 H new ATOM 0 HB2 MET A 41 8.040 -8.492 -18.876 1.00 2.23 H new ATOM 0 HB3 MET A 41 7.286 -10.070 -18.770 1.00 2.23 H new ATOM 0 HG2 MET A 41 9.428 -9.393 -16.779 1.00 60.43 H new ATOM 0 HG3 MET A 41 7.864 -8.624 -16.602 1.00 60.43 H new ATOM 0 HE1 MET A 41 6.074 -10.609 -14.544 1.00 61.32 H new ATOM 0 HE2 MET A 41 6.086 -9.313 -15.764 1.00 61.32 H new ATOM 0 HE3 MET A 41 5.343 -10.885 -16.143 1.00 61.32 H new ATOM 342 N ILE A 42 10.999 -11.366 -17.966 1.00 54.21 N ATOM 343 CA ILE A 42 11.538 -12.523 -17.263 1.00 43.01 C ATOM 344 C ILE A 42 12.163 -12.116 -15.933 1.00 44.21 C ATOM 345 O ILE A 42 13.040 -11.253 -15.885 1.00 65.13 O ATOM 346 CB ILE A 42 12.595 -13.255 -18.111 1.00 40.35 C ATOM 347 CG1 ILE A 42 12.947 -12.429 -19.350 1.00 42.24 C ATOM 348 CG2 ILE A 42 12.091 -14.633 -18.513 1.00 14.23 C ATOM 349 CD1 ILE A 42 11.904 -12.504 -20.443 1.00 61.03 C ATOM 0 H ILE A 42 11.599 -10.541 -17.944 1.00 54.21 H new ATOM 0 HA ILE A 42 10.702 -13.197 -17.078 1.00 43.01 H new ATOM 0 HB ILE A 42 13.497 -13.380 -17.512 1.00 40.35 H new ATOM 0 HG12 ILE A 42 13.080 -11.388 -19.057 1.00 42.24 H new ATOM 0 HG13 ILE A 42 13.902 -12.773 -19.746 1.00 42.24 H new ATOM 0 HG21 ILE A 42 12.849 -15.137 -19.112 1.00 14.23 H new ATOM 0 HG22 ILE A 42 11.885 -15.220 -17.618 1.00 14.23 H new ATOM 0 HG23 ILE A 42 11.177 -14.530 -19.097 1.00 14.23 H new ATOM 0 HD11 ILE A 42 12.220 -11.895 -21.290 1.00 61.03 H new ATOM 0 HD12 ILE A 42 11.787 -13.539 -20.764 1.00 61.03 H new ATOM 0 HD13 ILE A 42 10.952 -12.132 -20.064 1.00 61.03 H new ATOM 361 N PHE A 43 11.707 -12.744 -14.854 1.00 43.34 N ATOM 362 CA PHE A 43 12.222 -12.448 -13.523 1.00 2.25 C ATOM 363 C PHE A 43 13.145 -13.562 -13.036 1.00 53.31 C ATOM 364 O PHE A 43 12.946 -14.733 -13.360 1.00 11.42 O ATOM 365 CB PHE A 43 11.068 -12.259 -12.536 1.00 74.34 C ATOM 366 CG PHE A 43 10.159 -11.116 -12.888 1.00 44.12 C ATOM 367 CD1 PHE A 43 10.664 -9.971 -13.483 1.00 51.14 C ATOM 368 CD2 PHE A 43 8.801 -11.186 -12.623 1.00 2.20 C ATOM 369 CE1 PHE A 43 9.831 -8.917 -13.809 1.00 11.03 C ATOM 370 CE2 PHE A 43 7.963 -10.135 -12.946 1.00 64.34 C ATOM 371 CZ PHE A 43 8.479 -8.999 -13.539 1.00 30.02 C ATOM 0 H PHE A 43 10.982 -13.461 -14.876 1.00 43.34 H new ATOM 0 HA PHE A 43 12.796 -11.523 -13.581 1.00 2.25 H new ATOM 0 HB2 PHE A 43 10.483 -13.178 -12.493 1.00 74.34 H new ATOM 0 HB3 PHE A 43 11.477 -12.094 -11.539 1.00 74.34 H new ATOM 0 HD1 PHE A 43 11.721 -9.901 -13.695 1.00 51.14 H new ATOM 0 HD2 PHE A 43 8.392 -12.072 -12.159 1.00 2.20 H new ATOM 0 HE1 PHE A 43 10.237 -8.031 -14.274 1.00 11.03 H new ATOM 0 HE2 PHE A 43 6.906 -10.202 -12.735 1.00 64.34 H new ATOM 0 HZ PHE A 43 7.826 -8.176 -13.791 1.00 30.02 H new ATOM 381 N SER A 44 14.155 -13.188 -12.257 1.00 53.41 N ATOM 382 CA SER A 44 15.111 -14.153 -11.729 1.00 61.41 C ATOM 383 C SER A 44 15.691 -13.674 -10.402 1.00 12.11 C ATOM 384 O SER A 44 15.163 -12.755 -9.776 1.00 13.42 O ATOM 385 CB SER A 44 16.239 -14.389 -12.736 1.00 12.12 C ATOM 386 OG SER A 44 16.405 -15.771 -13.001 1.00 43.11 O ATOM 0 H SER A 44 14.332 -12.223 -11.978 1.00 53.41 H new ATOM 0 HA SER A 44 14.584 -15.092 -11.557 1.00 61.41 H new ATOM 0 HB2 SER A 44 16.019 -13.861 -13.664 1.00 12.12 H new ATOM 0 HB3 SER A 44 17.170 -13.976 -12.348 1.00 12.12 H new ATOM 0 HG SER A 44 15.595 -16.255 -12.735 1.00 43.11 H new ATOM 392 N LYS A 45 16.781 -14.304 -9.978 1.00 3.41 N ATOM 393 CA LYS A 45 17.436 -13.943 -8.726 1.00 50.41 C ATOM 394 C LYS A 45 18.953 -14.040 -8.857 1.00 55.24 C ATOM 395 O LYS A 45 19.479 -14.241 -9.952 1.00 34.22 O ATOM 396 CB LYS A 45 16.952 -14.851 -7.593 1.00 42.23 C ATOM 397 CG LYS A 45 15.655 -14.387 -6.954 1.00 31.21 C ATOM 398 CD LYS A 45 15.784 -14.283 -5.443 1.00 73.04 C ATOM 399 CE LYS A 45 14.811 -13.264 -4.870 1.00 34.40 C ATOM 400 NZ LYS A 45 14.598 -13.461 -3.409 1.00 65.22 N ATOM 0 H LYS A 45 17.230 -15.068 -10.483 1.00 3.41 H new ATOM 0 HA LYS A 45 17.175 -12.911 -8.493 1.00 50.41 H new ATOM 0 HB2 LYS A 45 16.815 -15.860 -7.981 1.00 42.23 H new ATOM 0 HB3 LYS A 45 17.725 -14.906 -6.827 1.00 42.23 H new ATOM 0 HG2 LYS A 45 15.373 -13.417 -7.364 1.00 31.21 H new ATOM 0 HG3 LYS A 45 14.855 -15.084 -7.205 1.00 31.21 H new ATOM 0 HD2 LYS A 45 15.598 -15.258 -4.993 1.00 73.04 H new ATOM 0 HD3 LYS A 45 16.804 -14.001 -5.182 1.00 73.04 H new ATOM 0 HE2 LYS A 45 15.191 -12.258 -5.049 1.00 34.40 H new ATOM 0 HE3 LYS A 45 13.856 -13.341 -5.390 1.00 34.40 H new ATOM 0 HZ1 LYS A 45 14.419 -12.542 -2.957 1.00 65.22 H new ATOM 0 HZ2 LYS A 45 13.780 -14.086 -3.259 1.00 65.22 H new ATOM 0 HZ3 LYS A 45 15.446 -13.893 -2.990 1.00 65.22 H new ATOM 414 N SER A 46 19.650 -13.897 -7.735 1.00 14.33 N ATOM 415 CA SER A 46 21.106 -13.966 -7.725 1.00 61.12 C ATOM 416 C SER A 46 21.582 -15.413 -7.811 1.00 35.31 C ATOM 417 O SER A 46 22.413 -15.757 -8.652 1.00 14.31 O ATOM 418 CB SER A 46 21.661 -13.309 -6.460 1.00 32.33 C ATOM 419 OG SER A 46 22.991 -13.728 -6.209 1.00 20.53 O ATOM 0 H SER A 46 19.230 -13.733 -6.820 1.00 14.33 H new ATOM 0 HA SER A 46 21.476 -13.427 -8.597 1.00 61.12 H new ATOM 0 HB2 SER A 46 21.632 -12.225 -6.567 1.00 32.33 H new ATOM 0 HB3 SER A 46 21.030 -13.562 -5.608 1.00 32.33 H new ATOM 0 HG SER A 46 23.323 -13.293 -5.396 1.00 20.53 H new ATOM 425 N TYR A 47 21.048 -16.257 -6.935 1.00 22.23 N ATOM 426 CA TYR A 47 21.419 -17.667 -6.908 1.00 72.24 C ATOM 427 C TYR A 47 20.180 -18.557 -6.950 1.00 1.13 C ATOM 428 O TYR A 47 19.853 -19.231 -5.972 1.00 44.10 O ATOM 429 CB TYR A 47 22.241 -17.977 -5.656 1.00 43.35 C ATOM 430 CG TYR A 47 21.578 -17.534 -4.372 1.00 22.33 C ATOM 431 CD1 TYR A 47 21.514 -16.190 -4.027 1.00 22.03 C ATOM 432 CD2 TYR A 47 21.015 -18.461 -3.503 1.00 53.01 C ATOM 433 CE1 TYR A 47 20.910 -15.782 -2.854 1.00 1.45 C ATOM 434 CE2 TYR A 47 20.407 -18.062 -2.328 1.00 41.54 C ATOM 435 CZ TYR A 47 20.358 -16.721 -2.008 1.00 11.12 C ATOM 436 OH TYR A 47 19.754 -16.318 -0.839 1.00 11.01 O ATOM 0 H TYR A 47 20.357 -15.989 -6.234 1.00 22.23 H new ATOM 0 HA TYR A 47 22.024 -17.874 -7.791 1.00 72.24 H new ATOM 0 HB2 TYR A 47 22.425 -19.050 -5.609 1.00 43.35 H new ATOM 0 HB3 TYR A 47 23.213 -17.491 -5.740 1.00 43.35 H new ATOM 0 HD1 TYR A 47 21.944 -15.451 -4.687 1.00 22.03 H new ATOM 0 HD2 TYR A 47 21.053 -19.512 -3.750 1.00 53.01 H new ATOM 0 HE1 TYR A 47 20.870 -14.733 -2.600 1.00 1.45 H new ATOM 0 HE2 TYR A 47 19.973 -18.795 -1.664 1.00 41.54 H new ATOM 0 HH TYR A 47 19.416 -17.102 -0.358 1.00 11.01 H new ATOM 446 N CYS A 48 19.495 -18.554 -8.088 1.00 4.31 N ATOM 447 CA CYS A 48 18.292 -19.360 -8.259 1.00 30.15 C ATOM 448 C CYS A 48 18.205 -19.914 -9.677 1.00 50.40 C ATOM 449 O CYS A 48 17.768 -19.237 -10.608 1.00 51.01 O ATOM 450 CB CYS A 48 17.047 -18.529 -7.945 1.00 42.43 C ATOM 451 SG CYS A 48 16.951 -17.960 -6.231 1.00 61.35 S ATOM 0 H CYS A 48 19.752 -18.002 -8.906 1.00 4.31 H new ATOM 0 HA CYS A 48 18.345 -20.198 -7.564 1.00 30.15 H new ATOM 0 HB2 CYS A 48 17.026 -17.662 -8.606 1.00 42.43 H new ATOM 0 HB3 CYS A 48 16.161 -19.123 -8.169 1.00 42.43 H new ATOM 0 HG CYS A 48 17.953 -18.442 -5.557 1.00 61.35 H new ATOM 457 N PRO A 49 18.632 -21.174 -9.848 1.00 42.50 N ATOM 458 CA PRO A 49 18.614 -21.846 -11.151 1.00 13.34 C ATOM 459 C PRO A 49 17.197 -22.158 -11.622 1.00 25.13 C ATOM 460 O PRO A 49 16.239 -22.044 -10.857 1.00 72.41 O ATOM 461 CB PRO A 49 19.389 -23.140 -10.893 1.00 22.12 C ATOM 462 CG PRO A 49 19.229 -23.393 -9.433 1.00 63.25 C ATOM 463 CD PRO A 49 19.166 -22.039 -8.783 1.00 33.02 C ATOM 0 HA PRO A 49 19.044 -21.225 -11.937 1.00 13.34 H new ATOM 0 HB2 PRO A 49 18.990 -23.965 -11.484 1.00 22.12 H new ATOM 0 HB3 PRO A 49 20.439 -23.033 -11.163 1.00 22.12 H new ATOM 0 HG2 PRO A 49 18.323 -23.965 -9.233 1.00 63.25 H new ATOM 0 HG3 PRO A 49 20.065 -23.974 -9.044 1.00 63.25 H new ATOM 0 HD2 PRO A 49 18.518 -22.044 -7.906 1.00 33.02 H new ATOM 0 HD3 PRO A 49 20.149 -21.707 -8.451 1.00 33.02 H new ATOM 471 N HIS A 50 17.072 -22.553 -12.885 1.00 4.21 N ATOM 472 CA HIS A 50 15.772 -22.883 -13.457 1.00 42.05 C ATOM 473 C HIS A 50 15.030 -21.620 -13.884 1.00 33.04 C ATOM 474 O HIS A 50 14.533 -21.529 -15.006 1.00 45.04 O ATOM 475 CB HIS A 50 14.932 -23.667 -12.449 1.00 74.14 C ATOM 476 CG HIS A 50 14.189 -24.818 -13.055 1.00 62.13 C ATOM 477 ND1 HIS A 50 14.746 -25.664 -13.991 1.00 61.01 N ATOM 478 CD2 HIS A 50 12.927 -25.262 -12.853 1.00 32.52 C ATOM 479 CE1 HIS A 50 13.858 -26.578 -14.339 1.00 52.23 C ATOM 480 NE2 HIS A 50 12.745 -26.357 -13.662 1.00 44.34 N ATOM 0 H HIS A 50 17.855 -22.652 -13.531 1.00 4.21 H new ATOM 0 HA HIS A 50 15.937 -23.502 -14.339 1.00 42.05 H new ATOM 0 HB2 HIS A 50 15.583 -24.041 -11.659 1.00 74.14 H new ATOM 0 HB3 HIS A 50 14.218 -22.991 -11.980 1.00 74.14 H new ATOM 0 HD1 HIS A 50 15.695 -25.595 -14.357 1.00 61.01 H new ATOM 0 HD2 HIS A 50 12.198 -24.835 -12.180 1.00 32.52 H new ATOM 0 HE1 HIS A 50 14.015 -27.371 -15.055 1.00 52.23 H new ATOM 488 N SER A 51 14.957 -20.649 -12.979 1.00 41.53 N ATOM 489 CA SER A 51 14.271 -19.393 -13.260 1.00 42.30 C ATOM 490 C SER A 51 15.113 -18.506 -14.173 1.00 31.30 C ATOM 491 O SER A 51 14.585 -17.667 -14.903 1.00 12.30 O ATOM 492 CB SER A 51 13.962 -18.654 -11.957 1.00 12.33 C ATOM 493 OG SER A 51 14.044 -17.250 -12.134 1.00 63.22 O ATOM 0 H SER A 51 15.364 -20.708 -12.046 1.00 41.53 H new ATOM 0 HA SER A 51 13.336 -19.625 -13.769 1.00 42.30 H new ATOM 0 HB2 SER A 51 12.964 -18.922 -11.611 1.00 12.33 H new ATOM 0 HB3 SER A 51 14.662 -18.967 -11.183 1.00 12.33 H new ATOM 0 HG SER A 51 13.307 -16.949 -12.705 1.00 63.22 H new ATOM 499 N THR A 52 16.428 -18.699 -14.127 1.00 15.03 N ATOM 500 CA THR A 52 17.344 -17.918 -14.948 1.00 11.45 C ATOM 501 C THR A 52 17.486 -18.521 -16.340 1.00 72.30 C ATOM 502 O THR A 52 17.484 -17.804 -17.341 1.00 31.32 O ATOM 503 CB THR A 52 18.737 -17.821 -14.298 1.00 21.23 C ATOM 504 OG1 THR A 52 18.685 -16.965 -13.151 1.00 72.02 O ATOM 505 CG2 THR A 52 19.761 -17.288 -15.289 1.00 33.02 C ATOM 0 H THR A 52 16.882 -19.390 -13.529 1.00 15.03 H new ATOM 0 HA THR A 52 16.919 -16.918 -15.031 1.00 11.45 H new ATOM 0 HB THR A 52 19.040 -18.822 -13.990 1.00 21.23 H new ATOM 0 HG1 THR A 52 17.947 -16.328 -13.252 1.00 72.02 H new ATOM 0 HG21 THR A 52 20.737 -17.228 -14.807 1.00 33.02 H new ATOM 0 HG22 THR A 52 19.820 -17.958 -16.147 1.00 33.02 H new ATOM 0 HG23 THR A 52 19.461 -16.295 -15.624 1.00 33.02 H new ATOM 513 N ARG A 53 17.608 -19.843 -16.397 1.00 71.41 N ATOM 514 CA ARG A 53 17.751 -20.543 -17.668 1.00 22.30 C ATOM 515 C ARG A 53 16.643 -20.143 -18.637 1.00 52.12 C ATOM 516 O ARG A 53 16.891 -19.914 -19.821 1.00 64.31 O ATOM 517 CB ARG A 53 17.728 -22.057 -17.447 1.00 14.24 C ATOM 518 CG ARG A 53 16.860 -22.805 -18.446 1.00 25.02 C ATOM 519 CD ARG A 53 16.880 -24.304 -18.188 1.00 43.43 C ATOM 520 NE ARG A 53 17.779 -25.004 -19.101 1.00 65.04 N ATOM 521 CZ ARG A 53 19.069 -25.206 -18.852 1.00 54.05 C ATOM 522 NH1 ARG A 53 19.607 -24.763 -17.724 1.00 74.44 N ATOM 523 NH2 ARG A 53 19.822 -25.852 -19.733 1.00 22.32 N ATOM 0 H ARG A 53 17.611 -20.451 -15.578 1.00 71.41 H new ATOM 0 HA ARG A 53 18.710 -20.261 -18.103 1.00 22.30 H new ATOM 0 HB2 ARG A 53 18.747 -22.440 -17.506 1.00 14.24 H new ATOM 0 HB3 ARG A 53 17.367 -22.263 -16.439 1.00 14.24 H new ATOM 0 HG2 ARG A 53 15.835 -22.438 -18.386 1.00 25.02 H new ATOM 0 HG3 ARG A 53 17.212 -22.604 -19.458 1.00 25.02 H new ATOM 0 HD2 ARG A 53 17.190 -24.491 -17.160 1.00 43.43 H new ATOM 0 HD3 ARG A 53 15.872 -24.704 -18.295 1.00 43.43 H new ATOM 0 HE ARG A 53 17.396 -25.357 -19.978 1.00 65.04 H new ATOM 0 HH11 ARG A 53 19.031 -24.266 -17.045 1.00 74.44 H new ATOM 0 HH12 ARG A 53 20.597 -24.919 -17.535 1.00 74.44 H new ATOM 0 HH21 ARG A 53 19.411 -26.194 -20.602 1.00 22.32 H new ATOM 0 HH22 ARG A 53 20.812 -26.007 -19.542 1.00 22.32 H new ATOM 537 N VAL A 54 15.418 -20.060 -18.126 1.00 63.44 N ATOM 538 CA VAL A 54 14.272 -19.687 -18.946 1.00 34.20 C ATOM 539 C VAL A 54 14.532 -18.386 -19.696 1.00 4.42 C ATOM 540 O VAL A 54 13.920 -18.118 -20.730 1.00 31.12 O ATOM 541 CB VAL A 54 12.999 -19.529 -18.092 1.00 64.14 C ATOM 542 CG1 VAL A 54 13.045 -18.231 -17.300 1.00 63.34 C ATOM 543 CG2 VAL A 54 11.759 -19.584 -18.971 1.00 13.51 C ATOM 0 H VAL A 54 15.194 -20.246 -17.148 1.00 63.44 H new ATOM 0 HA VAL A 54 14.122 -20.493 -19.665 1.00 34.20 H new ATOM 0 HB VAL A 54 12.952 -20.356 -17.384 1.00 64.14 H new ATOM 0 HG11 VAL A 54 12.138 -18.137 -16.703 1.00 63.34 H new ATOM 0 HG12 VAL A 54 13.914 -18.237 -16.642 1.00 63.34 H new ATOM 0 HG13 VAL A 54 13.116 -17.388 -17.987 1.00 63.34 H new ATOM 0 HG21 VAL A 54 10.869 -19.471 -18.352 1.00 13.51 H new ATOM 0 HG22 VAL A 54 11.796 -18.778 -19.704 1.00 13.51 H new ATOM 0 HG23 VAL A 54 11.722 -20.543 -19.488 1.00 13.51 H new ATOM 553 N LYS A 55 15.446 -17.578 -19.168 1.00 62.21 N ATOM 554 CA LYS A 55 15.791 -16.304 -19.787 1.00 40.03 C ATOM 555 C LYS A 55 16.596 -16.520 -21.065 1.00 33.01 C ATOM 556 O LYS A 55 16.515 -15.726 -22.001 1.00 40.41 O ATOM 557 CB LYS A 55 16.589 -15.438 -18.810 1.00 12.12 C ATOM 558 CG LYS A 55 15.915 -15.266 -17.460 1.00 14.23 C ATOM 559 CD LYS A 55 16.880 -14.721 -16.420 1.00 35.21 C ATOM 560 CE LYS A 55 17.414 -13.354 -16.817 1.00 54.43 C ATOM 561 NZ LYS A 55 18.845 -13.414 -17.223 1.00 2.30 N ATOM 0 H LYS A 55 15.961 -17.784 -18.312 1.00 62.21 H new ATOM 0 HA LYS A 55 14.864 -15.791 -20.044 1.00 40.03 H new ATOM 0 HB2 LYS A 55 17.572 -15.884 -18.662 1.00 12.12 H new ATOM 0 HB3 LYS A 55 16.749 -14.456 -19.255 1.00 12.12 H new ATOM 0 HG2 LYS A 55 15.066 -14.590 -17.560 1.00 14.23 H new ATOM 0 HG3 LYS A 55 15.521 -16.225 -17.124 1.00 14.23 H new ATOM 0 HD2 LYS A 55 16.376 -14.650 -15.456 1.00 35.21 H new ATOM 0 HD3 LYS A 55 17.711 -15.415 -16.294 1.00 35.21 H new ATOM 0 HE2 LYS A 55 16.819 -12.957 -17.640 1.00 54.43 H new ATOM 0 HE3 LYS A 55 17.302 -12.664 -15.981 1.00 54.43 H new ATOM 0 HZ1 LYS A 55 19.393 -12.728 -16.666 1.00 2.30 H new ATOM 0 HZ2 LYS A 55 19.214 -14.371 -17.053 1.00 2.30 H new ATOM 0 HZ3 LYS A 55 18.929 -13.185 -18.234 1.00 2.30 H new ATOM 575 N GLU A 56 17.370 -17.600 -21.096 1.00 73.40 N ATOM 576 CA GLU A 56 18.188 -17.920 -22.260 1.00 11.20 C ATOM 577 C GLU A 56 17.314 -18.288 -23.455 1.00 75.31 C ATOM 578 O GLU A 56 17.686 -18.058 -24.606 1.00 45.13 O ATOM 579 CB GLU A 56 19.143 -19.071 -21.939 1.00 64.00 C ATOM 580 CG GLU A 56 20.366 -18.644 -21.144 1.00 13.22 C ATOM 581 CD GLU A 56 21.450 -18.043 -22.018 1.00 33.42 C ATOM 582 OE1 GLU A 56 21.235 -17.944 -23.244 1.00 72.02 O ATOM 583 OE2 GLU A 56 22.512 -17.673 -21.476 1.00 61.32 O ATOM 0 H GLU A 56 17.448 -18.268 -20.329 1.00 73.40 H new ATOM 0 HA GLU A 56 18.770 -17.035 -22.517 1.00 11.20 H new ATOM 0 HB2 GLU A 56 18.603 -19.834 -21.378 1.00 64.00 H new ATOM 0 HB3 GLU A 56 19.469 -19.532 -22.871 1.00 64.00 H new ATOM 0 HG2 GLU A 56 20.068 -17.916 -20.389 1.00 13.22 H new ATOM 0 HG3 GLU A 56 20.769 -19.507 -20.613 1.00 13.22 H new ATOM 590 N LEU A 57 16.149 -18.862 -23.174 1.00 20.22 N ATOM 591 CA LEU A 57 15.220 -19.264 -24.225 1.00 3.23 C ATOM 592 C LEU A 57 14.975 -18.118 -25.202 1.00 22.42 C ATOM 593 O LEU A 57 15.305 -18.216 -26.384 1.00 55.21 O ATOM 594 CB LEU A 57 13.894 -19.721 -23.614 1.00 5.43 C ATOM 595 CG LEU A 57 13.815 -21.192 -23.206 1.00 20.12 C ATOM 596 CD1 LEU A 57 13.668 -22.079 -24.433 1.00 4.14 C ATOM 597 CD2 LEU A 57 15.044 -21.590 -22.402 1.00 3.22 C ATOM 0 H LEU A 57 15.825 -19.060 -22.227 1.00 20.22 H new ATOM 0 HA LEU A 57 15.666 -20.095 -24.772 1.00 3.23 H new ATOM 0 HB2 LEU A 57 13.692 -19.109 -22.735 1.00 5.43 H new ATOM 0 HB3 LEU A 57 13.098 -19.520 -24.331 1.00 5.43 H new ATOM 0 HG LEU A 57 12.935 -21.328 -22.577 1.00 20.12 H new ATOM 0 HD11 LEU A 57 13.613 -23.123 -24.123 1.00 4.14 H new ATOM 0 HD12 LEU A 57 12.757 -21.811 -24.968 1.00 4.14 H new ATOM 0 HD13 LEU A 57 14.528 -21.940 -25.088 1.00 4.14 H new ATOM 0 HD21 LEU A 57 14.970 -22.640 -22.120 1.00 3.22 H new ATOM 0 HD22 LEU A 57 15.939 -21.438 -23.006 1.00 3.22 H new ATOM 0 HD23 LEU A 57 15.105 -20.977 -21.503 1.00 3.22 H new ATOM 609 N PHE A 58 14.397 -17.032 -24.699 1.00 60.53 N ATOM 610 CA PHE A 58 14.109 -15.867 -25.527 1.00 71.24 C ATOM 611 C PHE A 58 15.357 -15.411 -26.278 1.00 31.23 C ATOM 612 O PHE A 58 15.307 -15.133 -27.476 1.00 11.44 O ATOM 613 CB PHE A 58 13.572 -14.723 -24.665 1.00 53.24 C ATOM 614 CG PHE A 58 12.232 -15.013 -24.051 1.00 3.02 C ATOM 615 CD1 PHE A 58 11.101 -15.122 -24.843 1.00 13.41 C ATOM 616 CD2 PHE A 58 12.105 -15.177 -22.681 1.00 12.42 C ATOM 617 CE1 PHE A 58 9.867 -15.389 -24.281 1.00 13.04 C ATOM 618 CE2 PHE A 58 10.874 -15.444 -22.113 1.00 34.41 C ATOM 619 CZ PHE A 58 9.753 -15.550 -22.914 1.00 10.54 C ATOM 0 H PHE A 58 14.119 -16.935 -23.722 1.00 60.53 H new ATOM 0 HA PHE A 58 13.351 -16.150 -26.257 1.00 71.24 H new ATOM 0 HB2 PHE A 58 14.288 -14.510 -23.871 1.00 53.24 H new ATOM 0 HB3 PHE A 58 13.496 -13.823 -25.276 1.00 53.24 H new ATOM 0 HD1 PHE A 58 11.184 -14.997 -25.912 1.00 13.41 H new ATOM 0 HD2 PHE A 58 12.978 -15.095 -22.050 1.00 12.42 H new ATOM 0 HE1 PHE A 58 8.993 -15.472 -24.910 1.00 13.04 H new ATOM 0 HE2 PHE A 58 10.788 -15.570 -21.044 1.00 34.41 H new ATOM 0 HZ PHE A 58 8.790 -15.758 -22.472 1.00 10.54 H new ATOM 629 N SER A 59 16.475 -15.337 -25.563 1.00 65.15 N ATOM 630 CA SER A 59 17.736 -14.911 -26.160 1.00 2.24 C ATOM 631 C SER A 59 18.049 -15.726 -27.411 1.00 33.24 C ATOM 632 O SER A 59 18.354 -15.172 -28.466 1.00 41.42 O ATOM 633 CB SER A 59 18.876 -15.050 -25.148 1.00 73.13 C ATOM 634 OG SER A 59 19.799 -13.982 -25.270 1.00 61.11 O ATOM 0 H SER A 59 16.534 -15.566 -24.571 1.00 65.15 H new ATOM 0 HA SER A 59 17.638 -13.864 -26.446 1.00 2.24 H new ATOM 0 HB2 SER A 59 18.469 -15.069 -24.137 1.00 73.13 H new ATOM 0 HB3 SER A 59 19.390 -15.999 -25.303 1.00 73.13 H new ATOM 0 HG SER A 59 20.516 -14.093 -24.612 1.00 61.11 H new ATOM 640 N SER A 60 17.970 -17.047 -27.283 1.00 40.04 N ATOM 641 CA SER A 60 18.248 -17.941 -28.402 1.00 10.53 C ATOM 642 C SER A 60 17.082 -17.959 -29.385 1.00 35.40 C ATOM 643 O SER A 60 17.158 -18.581 -30.446 1.00 21.15 O ATOM 644 CB SER A 60 18.525 -19.357 -27.894 1.00 15.12 C ATOM 645 OG SER A 60 18.950 -20.203 -28.948 1.00 44.30 O ATOM 0 H SER A 60 17.716 -17.522 -26.417 1.00 40.04 H new ATOM 0 HA SER A 60 19.132 -17.570 -28.921 1.00 10.53 H new ATOM 0 HB2 SER A 60 19.290 -19.325 -27.118 1.00 15.12 H new ATOM 0 HB3 SER A 60 17.624 -19.765 -27.437 1.00 15.12 H new ATOM 0 HG SER A 60 18.612 -19.858 -29.801 1.00 44.30 H new ATOM 651 N LEU A 61 16.002 -17.274 -29.025 1.00 50.13 N ATOM 652 CA LEU A 61 14.818 -17.211 -29.875 1.00 13.42 C ATOM 653 C LEU A 61 14.869 -15.992 -30.790 1.00 51.25 C ATOM 654 O LEU A 61 13.890 -15.664 -31.460 1.00 62.21 O ATOM 655 CB LEU A 61 13.552 -17.165 -29.017 1.00 22.33 C ATOM 656 CG LEU A 61 12.390 -18.041 -29.487 1.00 43.24 C ATOM 657 CD1 LEU A 61 12.207 -17.920 -30.992 1.00 74.22 C ATOM 658 CD2 LEU A 61 12.621 -19.492 -29.091 1.00 41.30 C ATOM 0 H LEU A 61 15.922 -16.755 -28.151 1.00 50.13 H new ATOM 0 HA LEU A 61 14.798 -18.107 -30.495 1.00 13.42 H new ATOM 0 HB2 LEU A 61 13.815 -17.460 -28.001 1.00 22.33 H new ATOM 0 HB3 LEU A 61 13.206 -16.132 -28.970 1.00 22.33 H new ATOM 0 HG LEU A 61 11.478 -17.694 -29.001 1.00 43.24 H new ATOM 0 HD11 LEU A 61 11.376 -18.550 -31.309 1.00 74.22 H new ATOM 0 HD12 LEU A 61 11.995 -16.882 -31.251 1.00 74.22 H new ATOM 0 HD13 LEU A 61 13.119 -18.241 -31.496 1.00 74.22 H new ATOM 0 HD21 LEU A 61 11.784 -20.100 -29.434 1.00 41.30 H new ATOM 0 HD22 LEU A 61 13.542 -19.852 -29.549 1.00 41.30 H new ATOM 0 HD23 LEU A 61 12.702 -19.565 -28.006 1.00 41.30 H new ATOM 670 N GLY A 62 16.019 -15.325 -30.816 1.00 12.43 N ATOM 671 CA GLY A 62 16.177 -14.151 -31.654 1.00 41.22 C ATOM 672 C GLY A 62 15.351 -12.976 -31.169 1.00 72.22 C ATOM 673 O GLY A 62 15.260 -11.951 -31.844 1.00 52.24 O ATOM 0 H GLY A 62 16.844 -15.577 -30.272 1.00 12.43 H new ATOM 0 HA2 GLY A 62 17.229 -13.866 -31.680 1.00 41.22 H new ATOM 0 HA3 GLY A 62 15.888 -14.397 -32.676 1.00 41.22 H new ATOM 677 N VAL A 63 14.745 -13.125 -29.995 1.00 70.24 N ATOM 678 CA VAL A 63 13.921 -12.068 -29.421 1.00 22.54 C ATOM 679 C VAL A 63 14.600 -11.440 -28.209 1.00 23.01 C ATOM 680 O VAL A 63 15.286 -12.120 -27.445 1.00 72.35 O ATOM 681 CB VAL A 63 12.538 -12.600 -29.002 1.00 32.44 C ATOM 682 CG1 VAL A 63 12.575 -13.118 -27.572 1.00 23.31 C ATOM 683 CG2 VAL A 63 11.481 -11.517 -29.157 1.00 63.04 C ATOM 0 H VAL A 63 14.809 -13.967 -29.423 1.00 70.24 H new ATOM 0 HA VAL A 63 13.792 -11.311 -30.195 1.00 22.54 H new ATOM 0 HB VAL A 63 12.274 -13.430 -29.657 1.00 32.44 H new ATOM 0 HG11 VAL A 63 11.589 -13.490 -27.294 1.00 23.31 H new ATOM 0 HG12 VAL A 63 13.302 -13.927 -27.497 1.00 23.31 H new ATOM 0 HG13 VAL A 63 12.861 -12.309 -26.899 1.00 23.31 H new ATOM 0 HG21 VAL A 63 10.510 -11.911 -28.856 1.00 63.04 H new ATOM 0 HG22 VAL A 63 11.738 -10.665 -28.527 1.00 63.04 H new ATOM 0 HG23 VAL A 63 11.437 -11.198 -30.198 1.00 63.04 H new ATOM 693 N VAL A 64 14.405 -10.136 -28.038 1.00 32.42 N ATOM 694 CA VAL A 64 14.997 -9.415 -26.918 1.00 31.15 C ATOM 695 C VAL A 64 14.059 -9.401 -25.716 1.00 11.32 C ATOM 696 O VAL A 64 12.838 -9.443 -25.868 1.00 33.13 O ATOM 697 CB VAL A 64 15.342 -7.964 -27.303 1.00 74.43 C ATOM 698 CG1 VAL A 64 14.095 -7.222 -27.760 1.00 33.41 C ATOM 699 CG2 VAL A 64 16.002 -7.246 -26.136 1.00 43.15 C ATOM 0 H VAL A 64 13.841 -9.558 -28.661 1.00 32.42 H new ATOM 0 HA VAL A 64 15.915 -9.940 -26.653 1.00 31.15 H new ATOM 0 HB VAL A 64 16.048 -7.985 -28.133 1.00 74.43 H new ATOM 0 HG11 VAL A 64 14.358 -6.199 -28.028 1.00 33.41 H new ATOM 0 HG12 VAL A 64 13.669 -7.726 -28.628 1.00 33.41 H new ATOM 0 HG13 VAL A 64 13.363 -7.209 -26.952 1.00 33.41 H new ATOM 0 HG21 VAL A 64 16.239 -6.222 -26.426 1.00 43.15 H new ATOM 0 HG22 VAL A 64 15.322 -7.234 -25.284 1.00 43.15 H new ATOM 0 HG23 VAL A 64 16.919 -7.767 -25.860 1.00 43.15 H new ATOM 709 N TYR A 65 14.637 -9.340 -24.522 1.00 24.04 N ATOM 710 CA TYR A 65 13.853 -9.322 -23.293 1.00 2.25 C ATOM 711 C TYR A 65 14.558 -8.512 -22.209 1.00 22.25 C ATOM 712 O TYR A 65 15.680 -8.045 -22.398 1.00 63.11 O ATOM 713 CB TYR A 65 13.606 -10.748 -22.799 1.00 72.54 C ATOM 714 CG TYR A 65 14.875 -11.513 -22.498 1.00 34.43 C ATOM 715 CD1 TYR A 65 15.466 -11.449 -21.242 1.00 33.23 C ATOM 716 CD2 TYR A 65 15.483 -12.299 -23.468 1.00 60.54 C ATOM 717 CE1 TYR A 65 16.625 -12.146 -20.962 1.00 3.35 C ATOM 718 CE2 TYR A 65 16.642 -13.001 -23.197 1.00 12.43 C ATOM 719 CZ TYR A 65 17.209 -12.920 -21.942 1.00 63.40 C ATOM 720 OH TYR A 65 18.364 -13.616 -21.668 1.00 24.22 O ATOM 0 H TYR A 65 15.646 -9.302 -24.379 1.00 24.04 H new ATOM 0 HA TYR A 65 12.895 -8.849 -23.511 1.00 2.25 H new ATOM 0 HB2 TYR A 65 12.992 -10.711 -21.899 1.00 72.54 H new ATOM 0 HB3 TYR A 65 13.035 -11.291 -23.552 1.00 72.54 H new ATOM 0 HD1 TYR A 65 15.011 -10.844 -20.472 1.00 33.23 H new ATOM 0 HD2 TYR A 65 15.042 -12.363 -24.452 1.00 60.54 H new ATOM 0 HE1 TYR A 65 17.071 -12.085 -19.980 1.00 3.35 H new ATOM 0 HE2 TYR A 65 17.101 -13.609 -23.963 1.00 12.43 H new ATOM 0 HH TYR A 65 18.208 -14.574 -21.801 1.00 24.22 H new ATOM 730 N ASN A 66 13.890 -8.351 -21.071 1.00 22.12 N ATOM 731 CA ASN A 66 14.451 -7.598 -19.955 1.00 24.20 C ATOM 732 C ASN A 66 14.853 -8.531 -18.817 1.00 22.24 C ATOM 733 O ASN A 66 14.135 -9.478 -18.493 1.00 53.54 O ATOM 734 CB ASN A 66 13.442 -6.565 -19.450 1.00 73.34 C ATOM 735 CG ASN A 66 14.044 -5.179 -19.331 1.00 1.33 C ATOM 736 OD1 ASN A 66 14.431 -4.749 -18.244 1.00 34.44 O ATOM 737 ND2 ASN A 66 14.126 -4.471 -20.451 1.00 42.32 N ATOM 0 H ASN A 66 12.960 -8.732 -20.898 1.00 22.12 H new ATOM 0 HA ASN A 66 15.343 -7.081 -20.310 1.00 24.20 H new ATOM 0 HB2 ASN A 66 12.590 -6.531 -20.129 1.00 73.34 H new ATOM 0 HB3 ASN A 66 13.062 -6.878 -18.477 1.00 73.34 H new ATOM 0 HD21 ASN A 66 14.522 -3.531 -20.432 1.00 42.32 H new ATOM 0 HD22 ASN A 66 13.793 -4.867 -21.330 1.00 42.32 H new ATOM 744 N ILE A 67 16.005 -8.257 -18.213 1.00 33.11 N ATOM 745 CA ILE A 67 16.501 -9.071 -17.110 1.00 12.52 C ATOM 746 C ILE A 67 16.324 -8.354 -15.775 1.00 43.25 C ATOM 747 O ILE A 67 16.928 -7.308 -15.535 1.00 43.54 O ATOM 748 CB ILE A 67 17.988 -9.425 -17.296 1.00 71.24 C ATOM 749 CG1 ILE A 67 18.191 -10.196 -18.603 1.00 11.43 C ATOM 750 CG2 ILE A 67 18.491 -10.237 -16.112 1.00 63.34 C ATOM 751 CD1 ILE A 67 19.561 -10.000 -19.213 1.00 40.30 C ATOM 0 H ILE A 67 16.612 -7.478 -18.469 1.00 33.11 H new ATOM 0 HA ILE A 67 15.915 -9.990 -17.107 1.00 12.52 H new ATOM 0 HB ILE A 67 18.563 -8.501 -17.348 1.00 71.24 H new ATOM 0 HG12 ILE A 67 18.034 -11.258 -18.417 1.00 11.43 H new ATOM 0 HG13 ILE A 67 17.434 -9.883 -19.322 1.00 11.43 H new ATOM 0 HG21 ILE A 67 19.544 -10.480 -16.258 1.00 63.34 H new ATOM 0 HG22 ILE A 67 18.376 -9.656 -15.197 1.00 63.34 H new ATOM 0 HG23 ILE A 67 17.914 -11.158 -16.031 1.00 63.34 H new ATOM 0 HD11 ILE A 67 19.634 -10.575 -20.136 1.00 40.30 H new ATOM 0 HD12 ILE A 67 19.714 -8.943 -19.431 1.00 40.30 H new ATOM 0 HD13 ILE A 67 20.323 -10.340 -18.512 1.00 40.30 H new ATOM 763 N LEU A 68 15.494 -8.924 -14.909 1.00 62.23 N ATOM 764 CA LEU A 68 15.239 -8.341 -13.597 1.00 31.24 C ATOM 765 C LEU A 68 15.417 -9.381 -12.495 1.00 34.10 C ATOM 766 O LEU A 68 14.835 -10.464 -12.552 1.00 1.04 O ATOM 767 CB LEU A 68 13.825 -7.760 -13.541 1.00 42.53 C ATOM 768 CG LEU A 68 13.322 -7.097 -14.824 1.00 15.51 C ATOM 769 CD1 LEU A 68 12.587 -8.105 -15.693 1.00 61.23 C ATOM 770 CD2 LEU A 68 12.419 -5.916 -14.495 1.00 63.02 C ATOM 0 H LEU A 68 14.986 -9.789 -15.092 1.00 62.23 H new ATOM 0 HA LEU A 68 15.961 -7.540 -13.436 1.00 31.24 H new ATOM 0 HB2 LEU A 68 13.135 -8.560 -13.274 1.00 42.53 H new ATOM 0 HB3 LEU A 68 13.787 -7.025 -12.737 1.00 42.53 H new ATOM 0 HG LEU A 68 14.183 -6.727 -15.381 1.00 15.51 H new ATOM 0 HD11 LEU A 68 12.236 -7.615 -16.601 1.00 61.23 H new ATOM 0 HD12 LEU A 68 13.263 -8.919 -15.957 1.00 61.23 H new ATOM 0 HD13 LEU A 68 11.734 -8.505 -15.144 1.00 61.23 H new ATOM 0 HD21 LEU A 68 12.070 -5.456 -15.420 1.00 63.02 H new ATOM 0 HD22 LEU A 68 11.563 -6.263 -13.917 1.00 63.02 H new ATOM 0 HD23 LEU A 68 12.977 -5.183 -13.913 1.00 63.02 H new ATOM 782 N GLU A 69 16.222 -9.043 -11.493 1.00 44.32 N ATOM 783 CA GLU A 69 16.475 -9.947 -10.378 1.00 32.51 C ATOM 784 C GLU A 69 15.897 -9.388 -9.081 1.00 54.54 C ATOM 785 O GLU A 69 16.304 -8.322 -8.616 1.00 31.54 O ATOM 786 CB GLU A 69 17.977 -10.188 -10.217 1.00 44.31 C ATOM 787 CG GLU A 69 18.705 -10.392 -11.535 1.00 25.41 C ATOM 788 CD GLU A 69 18.255 -11.645 -12.262 1.00 1.41 C ATOM 789 OE1 GLU A 69 17.150 -11.629 -12.843 1.00 30.11 O ATOM 790 OE2 GLU A 69 19.009 -12.640 -12.250 1.00 31.44 O ATOM 0 H GLU A 69 16.710 -8.150 -11.431 1.00 44.32 H new ATOM 0 HA GLU A 69 15.984 -10.895 -10.596 1.00 32.51 H new ATOM 0 HB2 GLU A 69 18.419 -9.339 -9.695 1.00 44.31 H new ATOM 0 HB3 GLU A 69 18.130 -11.064 -9.587 1.00 44.31 H new ATOM 0 HG2 GLU A 69 18.539 -9.526 -12.175 1.00 25.41 H new ATOM 0 HG3 GLU A 69 19.777 -10.450 -11.348 1.00 25.41 H new ATOM 797 N LEU A 70 14.945 -10.112 -8.504 1.00 14.01 N ATOM 798 CA LEU A 70 14.309 -9.689 -7.261 1.00 53.51 C ATOM 799 C LEU A 70 15.293 -9.750 -6.097 1.00 71.14 C ATOM 800 O LEU A 70 15.038 -9.200 -5.026 1.00 32.11 O ATOM 801 CB LEU A 70 13.093 -10.567 -6.962 1.00 55.04 C ATOM 802 CG LEU A 70 12.338 -11.105 -8.179 1.00 22.03 C ATOM 803 CD1 LEU A 70 12.636 -12.583 -8.381 1.00 1.42 C ATOM 804 CD2 LEU A 70 10.842 -10.877 -8.022 1.00 32.31 C ATOM 0 H LEU A 70 14.596 -10.995 -8.877 1.00 14.01 H new ATOM 0 HA LEU A 70 13.982 -8.656 -7.383 1.00 53.51 H new ATOM 0 HB2 LEU A 70 13.421 -11.414 -6.359 1.00 55.04 H new ATOM 0 HB3 LEU A 70 12.396 -9.992 -6.352 1.00 55.04 H new ATOM 0 HG LEU A 70 12.677 -10.563 -9.062 1.00 22.03 H new ATOM 0 HD11 LEU A 70 12.090 -12.949 -9.251 1.00 1.42 H new ATOM 0 HD12 LEU A 70 13.706 -12.720 -8.539 1.00 1.42 H new ATOM 0 HD13 LEU A 70 12.326 -13.141 -7.497 1.00 1.42 H new ATOM 0 HD21 LEU A 70 10.321 -11.266 -8.897 1.00 32.31 H new ATOM 0 HD22 LEU A 70 10.487 -11.392 -7.129 1.00 32.31 H new ATOM 0 HD23 LEU A 70 10.645 -9.809 -7.927 1.00 32.31 H new ATOM 816 N ASP A 71 16.418 -10.421 -6.316 1.00 45.33 N ATOM 817 CA ASP A 71 17.443 -10.551 -5.287 1.00 22.31 C ATOM 818 C ASP A 71 18.364 -9.335 -5.279 1.00 51.02 C ATOM 819 O ASP A 71 19.169 -9.161 -4.365 1.00 11.31 O ATOM 820 CB ASP A 71 18.261 -11.824 -5.510 1.00 62.22 C ATOM 821 CG ASP A 71 18.573 -12.547 -4.214 1.00 74.04 C ATOM 822 OD1 ASP A 71 18.417 -11.931 -3.139 1.00 33.31 O ATOM 823 OD2 ASP A 71 18.971 -13.729 -4.276 1.00 3.33 O ATOM 0 H ASP A 71 16.643 -10.883 -7.197 1.00 45.33 H new ATOM 0 HA ASP A 71 16.945 -10.613 -4.319 1.00 22.31 H new ATOM 0 HB2 ASP A 71 17.713 -12.493 -6.173 1.00 62.22 H new ATOM 0 HB3 ASP A 71 19.193 -11.570 -6.014 1.00 62.22 H new ATOM 828 N GLN A 72 18.239 -8.498 -6.304 1.00 62.34 N ATOM 829 CA GLN A 72 19.062 -7.300 -6.416 1.00 12.52 C ATOM 830 C GLN A 72 18.248 -6.050 -6.096 1.00 5.40 C ATOM 831 O GLN A 72 18.784 -5.057 -5.603 1.00 43.11 O ATOM 832 CB GLN A 72 19.654 -7.191 -7.822 1.00 4.12 C ATOM 833 CG GLN A 72 20.713 -8.241 -8.119 1.00 13.03 C ATOM 834 CD GLN A 72 21.734 -7.769 -9.135 1.00 22.04 C ATOM 835 OE1 GLN A 72 22.789 -7.245 -8.774 1.00 54.24 O ATOM 836 NE2 GLN A 72 21.427 -7.953 -10.413 1.00 72.22 N ATOM 0 H GLN A 72 17.576 -8.628 -7.068 1.00 62.34 H new ATOM 0 HA GLN A 72 19.874 -7.379 -5.693 1.00 12.52 H new ATOM 0 HB2 GLN A 72 18.851 -7.280 -8.553 1.00 4.12 H new ATOM 0 HB3 GLN A 72 20.091 -6.200 -7.947 1.00 4.12 H new ATOM 0 HG2 GLN A 72 21.224 -8.508 -7.194 1.00 13.03 H new ATOM 0 HG3 GLN A 72 20.229 -9.145 -8.489 1.00 13.03 H new ATOM 0 HE21 GLN A 72 20.542 -8.391 -10.667 1.00 72.22 H new ATOM 0 HE22 GLN A 72 22.076 -7.656 -11.141 1.00 72.22 H new ATOM 845 N VAL A 73 16.951 -6.105 -6.380 1.00 41.02 N ATOM 846 CA VAL A 73 16.063 -4.978 -6.122 1.00 42.43 C ATOM 847 C VAL A 73 15.999 -4.658 -4.633 1.00 45.20 C ATOM 848 O VAL A 73 16.636 -5.324 -3.817 1.00 31.43 O ATOM 849 CB VAL A 73 14.639 -5.256 -6.638 1.00 13.32 C ATOM 850 CG1 VAL A 73 14.668 -5.629 -8.112 1.00 74.20 C ATOM 851 CG2 VAL A 73 13.979 -6.352 -5.814 1.00 41.35 C ATOM 0 H VAL A 73 16.492 -6.919 -6.789 1.00 41.02 H new ATOM 0 HA VAL A 73 16.475 -4.122 -6.657 1.00 42.43 H new ATOM 0 HB VAL A 73 14.048 -4.346 -6.531 1.00 13.32 H new ATOM 0 HG11 VAL A 73 13.653 -5.822 -8.459 1.00 74.20 H new ATOM 0 HG12 VAL A 73 15.098 -4.809 -8.687 1.00 74.20 H new ATOM 0 HG13 VAL A 73 15.274 -6.524 -8.249 1.00 74.20 H new ATOM 0 HG21 VAL A 73 12.973 -6.536 -6.192 1.00 41.35 H new ATOM 0 HG22 VAL A 73 14.567 -7.267 -5.888 1.00 41.35 H new ATOM 0 HG23 VAL A 73 13.923 -6.040 -4.771 1.00 41.35 H new ATOM 861 N ASP A 74 15.227 -3.634 -4.286 1.00 63.20 N ATOM 862 CA ASP A 74 15.078 -3.226 -2.894 1.00 25.11 C ATOM 863 C ASP A 74 13.865 -3.897 -2.258 1.00 11.42 C ATOM 864 O ASP A 74 13.868 -4.207 -1.066 1.00 61.04 O ATOM 865 CB ASP A 74 14.946 -1.705 -2.797 1.00 75.44 C ATOM 866 CG ASP A 74 16.097 -0.980 -3.466 1.00 32.02 C ATOM 867 OD1 ASP A 74 17.123 -1.632 -3.751 1.00 44.35 O ATOM 868 OD2 ASP A 74 15.971 0.239 -3.704 1.00 51.11 O ATOM 0 H ASP A 74 14.695 -3.071 -4.950 1.00 63.20 H new ATOM 0 HA ASP A 74 15.970 -3.540 -2.351 1.00 25.11 H new ATOM 0 HB2 ASP A 74 14.008 -1.395 -3.258 1.00 75.44 H new ATOM 0 HB3 ASP A 74 14.898 -1.414 -1.748 1.00 75.44 H new ATOM 873 N ASP A 75 12.829 -4.116 -3.060 1.00 13.14 N ATOM 874 CA ASP A 75 11.608 -4.750 -2.575 1.00 52.43 C ATOM 875 C ASP A 75 11.630 -6.251 -2.847 1.00 51.52 C ATOM 876 O ASP A 75 10.585 -6.874 -3.029 1.00 61.21 O ATOM 877 CB ASP A 75 10.382 -4.117 -3.237 1.00 5.13 C ATOM 878 CG ASP A 75 10.552 -2.628 -3.464 1.00 52.44 C ATOM 879 OD1 ASP A 75 10.538 -1.870 -2.471 1.00 50.15 O ATOM 880 OD2 ASP A 75 10.699 -2.220 -4.635 1.00 51.13 O ATOM 0 H ASP A 75 12.810 -3.864 -4.048 1.00 13.14 H new ATOM 0 HA ASP A 75 11.551 -4.595 -1.498 1.00 52.43 H new ATOM 0 HB2 ASP A 75 10.194 -4.608 -4.192 1.00 5.13 H new ATOM 0 HB3 ASP A 75 9.506 -4.289 -2.612 1.00 5.13 H new ATOM 885 N GLY A 76 12.829 -6.825 -2.874 1.00 50.55 N ATOM 886 CA GLY A 76 12.965 -8.247 -3.126 1.00 72.31 C ATOM 887 C GLY A 76 12.070 -9.082 -2.232 1.00 75.22 C ATOM 888 O GLY A 76 11.762 -10.231 -2.549 1.00 65.00 O ATOM 0 H GLY A 76 13.708 -6.330 -2.726 1.00 50.55 H new ATOM 0 HA2 GLY A 76 12.725 -8.453 -4.169 1.00 72.31 H new ATOM 0 HA3 GLY A 76 14.003 -8.542 -2.974 1.00 72.31 H new ATOM 892 N ALA A 77 11.651 -8.504 -1.111 1.00 30.50 N ATOM 893 CA ALA A 77 10.786 -9.203 -0.169 1.00 14.13 C ATOM 894 C ALA A 77 9.353 -9.272 -0.687 1.00 20.54 C ATOM 895 O ALA A 77 8.791 -10.357 -0.843 1.00 45.43 O ATOM 896 CB ALA A 77 10.825 -8.520 1.190 1.00 10.32 C ATOM 0 H ALA A 77 11.897 -7.554 -0.833 1.00 30.50 H new ATOM 0 HA ALA A 77 11.156 -10.223 -0.062 1.00 14.13 H new ATOM 0 HB1 ALA A 77 10.174 -9.053 1.884 1.00 10.32 H new ATOM 0 HB2 ALA A 77 11.846 -8.527 1.572 1.00 10.32 H new ATOM 0 HB3 ALA A 77 10.483 -7.490 1.090 1.00 10.32 H new ATOM 902 N SER A 78 8.767 -8.109 -0.950 1.00 52.02 N ATOM 903 CA SER A 78 7.397 -8.038 -1.446 1.00 64.13 C ATOM 904 C SER A 78 7.341 -8.367 -2.935 1.00 63.01 C ATOM 905 O SER A 78 6.531 -9.184 -3.372 1.00 54.11 O ATOM 906 CB SER A 78 6.814 -6.646 -1.198 1.00 11.13 C ATOM 907 OG SER A 78 7.832 -5.660 -1.191 1.00 52.02 O ATOM 0 H SER A 78 9.219 -7.203 -0.828 1.00 52.02 H new ATOM 0 HA SER A 78 6.802 -8.775 -0.906 1.00 64.13 H new ATOM 0 HB2 SER A 78 6.082 -6.412 -1.971 1.00 11.13 H new ATOM 0 HB3 SER A 78 6.286 -6.634 -0.245 1.00 11.13 H new ATOM 0 HG SER A 78 7.433 -4.779 -1.032 1.00 52.02 H new ATOM 913 N VAL A 79 8.209 -7.724 -3.710 1.00 24.31 N ATOM 914 CA VAL A 79 8.261 -7.948 -5.150 1.00 32.23 C ATOM 915 C VAL A 79 8.274 -9.438 -5.474 1.00 40.31 C ATOM 916 O VAL A 79 7.638 -9.880 -6.431 1.00 5.42 O ATOM 917 CB VAL A 79 9.502 -7.286 -5.777 1.00 22.33 C ATOM 918 CG1 VAL A 79 10.727 -8.170 -5.597 1.00 30.13 C ATOM 919 CG2 VAL A 79 9.261 -6.989 -7.249 1.00 34.01 C ATOM 0 H VAL A 79 8.886 -7.044 -3.365 1.00 24.31 H new ATOM 0 HA VAL A 79 7.365 -7.495 -5.573 1.00 32.23 H new ATOM 0 HB VAL A 79 9.686 -6.342 -5.265 1.00 22.33 H new ATOM 0 HG11 VAL A 79 11.594 -7.686 -6.046 1.00 30.13 H new ATOM 0 HG12 VAL A 79 10.909 -8.327 -4.534 1.00 30.13 H new ATOM 0 HG13 VAL A 79 10.556 -9.131 -6.082 1.00 30.13 H new ATOM 0 HG21 VAL A 79 10.148 -6.521 -7.676 1.00 34.01 H new ATOM 0 HG22 VAL A 79 9.051 -7.918 -7.778 1.00 34.01 H new ATOM 0 HG23 VAL A 79 8.411 -6.314 -7.350 1.00 34.01 H new ATOM 929 N GLN A 80 9.002 -10.206 -4.671 1.00 20.35 N ATOM 930 CA GLN A 80 9.098 -11.647 -4.873 1.00 30.12 C ATOM 931 C GLN A 80 7.975 -12.375 -4.142 1.00 30.42 C ATOM 932 O GLN A 80 7.620 -13.500 -4.494 1.00 51.41 O ATOM 933 CB GLN A 80 10.455 -12.162 -4.390 1.00 10.01 C ATOM 934 CG GLN A 80 10.982 -13.338 -5.196 1.00 53.15 C ATOM 935 CD GLN A 80 11.414 -14.498 -4.322 1.00 60.42 C ATOM 936 OE1 GLN A 80 12.523 -15.016 -4.461 1.00 74.11 O ATOM 937 NE2 GLN A 80 10.539 -14.914 -3.414 1.00 52.00 N ATOM 0 H GLN A 80 9.534 -9.855 -3.875 1.00 20.35 H new ATOM 0 HA GLN A 80 9.001 -11.846 -5.940 1.00 30.12 H new ATOM 0 HB2 GLN A 80 11.179 -11.349 -4.434 1.00 10.01 H new ATOM 0 HB3 GLN A 80 10.371 -12.458 -3.344 1.00 10.01 H new ATOM 0 HG2 GLN A 80 10.209 -13.676 -5.886 1.00 53.15 H new ATOM 0 HG3 GLN A 80 11.827 -13.009 -5.801 1.00 53.15 H new ATOM 0 HE21 GLN A 80 9.631 -14.456 -3.333 1.00 52.00 H new ATOM 0 HE22 GLN A 80 10.775 -15.692 -2.797 1.00 52.00 H new ATOM 946 N GLU A 81 7.421 -11.727 -3.122 1.00 52.33 N ATOM 947 CA GLU A 81 6.339 -12.314 -2.341 1.00 73.54 C ATOM 948 C GLU A 81 5.097 -12.522 -3.203 1.00 75.40 C ATOM 949 O GLU A 81 4.442 -13.562 -3.128 1.00 20.41 O ATOM 950 CB GLU A 81 6.000 -11.422 -1.146 1.00 12.14 C ATOM 951 CG GLU A 81 4.738 -11.842 -0.411 1.00 20.23 C ATOM 952 CD GLU A 81 4.506 -11.040 0.855 1.00 74.10 C ATOM 953 OE1 GLU A 81 4.911 -9.859 0.891 1.00 75.11 O ATOM 954 OE2 GLU A 81 3.919 -11.593 1.809 1.00 5.40 O ATOM 0 H GLU A 81 7.704 -10.796 -2.817 1.00 52.33 H new ATOM 0 HA GLU A 81 6.674 -13.285 -1.976 1.00 73.54 H new ATOM 0 HB2 GLU A 81 6.837 -11.431 -0.448 1.00 12.14 H new ATOM 0 HB3 GLU A 81 5.884 -10.395 -1.492 1.00 12.14 H new ATOM 0 HG2 GLU A 81 3.880 -11.725 -1.073 1.00 20.23 H new ATOM 0 HG3 GLU A 81 4.804 -12.900 -0.159 1.00 20.23 H new ATOM 961 N VAL A 82 4.777 -11.525 -4.021 1.00 44.44 N ATOM 962 CA VAL A 82 3.615 -11.597 -4.898 1.00 73.11 C ATOM 963 C VAL A 82 3.961 -12.284 -6.214 1.00 73.22 C ATOM 964 O VAL A 82 3.082 -12.789 -6.914 1.00 35.13 O ATOM 965 CB VAL A 82 3.049 -10.196 -5.196 1.00 74.05 C ATOM 966 CG1 VAL A 82 1.544 -10.262 -5.409 1.00 71.12 C ATOM 967 CG2 VAL A 82 3.395 -9.232 -4.072 1.00 55.51 C ATOM 0 H VAL A 82 5.307 -10.657 -4.095 1.00 44.44 H new ATOM 0 HA VAL A 82 2.859 -12.182 -4.374 1.00 73.11 H new ATOM 0 HB VAL A 82 3.506 -9.826 -6.114 1.00 74.05 H new ATOM 0 HG11 VAL A 82 1.162 -9.263 -5.618 1.00 71.12 H new ATOM 0 HG12 VAL A 82 1.324 -10.918 -6.251 1.00 71.12 H new ATOM 0 HG13 VAL A 82 1.066 -10.652 -4.510 1.00 71.12 H new ATOM 0 HG21 VAL A 82 2.987 -8.247 -4.299 1.00 55.51 H new ATOM 0 HG22 VAL A 82 2.968 -9.595 -3.137 1.00 55.51 H new ATOM 0 HG23 VAL A 82 4.478 -9.162 -3.973 1.00 55.51 H new ATOM 977 N LEU A 83 5.247 -12.301 -6.546 1.00 51.42 N ATOM 978 CA LEU A 83 5.711 -12.927 -7.779 1.00 52.04 C ATOM 979 C LEU A 83 5.804 -14.441 -7.619 1.00 62.04 C ATOM 980 O LEU A 83 5.330 -15.197 -8.468 1.00 51.12 O ATOM 981 CB LEU A 83 7.074 -12.360 -8.181 1.00 74.11 C ATOM 982 CG LEU A 83 7.407 -12.407 -9.673 1.00 13.43 C ATOM 983 CD1 LEU A 83 7.297 -13.829 -10.200 1.00 43.10 C ATOM 984 CD2 LEU A 83 6.491 -11.475 -10.453 1.00 11.31 C ATOM 0 H LEU A 83 5.987 -11.888 -5.978 1.00 51.42 H new ATOM 0 HA LEU A 83 4.987 -12.707 -8.564 1.00 52.04 H new ATOM 0 HB2 LEU A 83 7.126 -11.323 -7.850 1.00 74.11 H new ATOM 0 HB3 LEU A 83 7.846 -12.906 -7.639 1.00 74.11 H new ATOM 0 HG LEU A 83 8.435 -12.070 -9.807 1.00 13.43 H new ATOM 0 HD11 LEU A 83 7.537 -13.843 -11.263 1.00 43.10 H new ATOM 0 HD12 LEU A 83 7.994 -14.471 -9.662 1.00 43.10 H new ATOM 0 HD13 LEU A 83 6.280 -14.194 -10.053 1.00 43.10 H new ATOM 0 HD21 LEU A 83 6.742 -11.521 -11.513 1.00 11.31 H new ATOM 0 HD22 LEU A 83 5.455 -11.781 -10.312 1.00 11.31 H new ATOM 0 HD23 LEU A 83 6.620 -10.454 -10.094 1.00 11.31 H new ATOM 996 N THR A 84 6.417 -14.879 -6.524 1.00 3.31 N ATOM 997 CA THR A 84 6.572 -16.302 -6.252 1.00 31.04 C ATOM 998 C THR A 84 5.223 -17.011 -6.249 1.00 74.24 C ATOM 999 O THR A 84 5.147 -18.221 -6.459 1.00 25.43 O ATOM 1000 CB THR A 84 7.268 -16.543 -4.899 1.00 12.34 C ATOM 1001 OG1 THR A 84 8.649 -16.176 -4.986 1.00 41.30 O ATOM 1002 CG2 THR A 84 7.151 -18.001 -4.482 1.00 34.03 C ATOM 0 H THR A 84 6.814 -14.268 -5.811 1.00 3.31 H new ATOM 0 HA THR A 84 7.193 -16.710 -7.050 1.00 31.04 H new ATOM 0 HB THR A 84 6.775 -15.926 -4.147 1.00 12.34 H new ATOM 0 HG1 THR A 84 9.192 -16.828 -4.496 1.00 41.30 H new ATOM 0 HG21 THR A 84 7.650 -18.147 -3.524 1.00 34.03 H new ATOM 0 HG22 THR A 84 6.099 -18.269 -4.388 1.00 34.03 H new ATOM 0 HG23 THR A 84 7.620 -18.634 -5.235 1.00 34.03 H new ATOM 1010 N GLU A 85 4.159 -16.249 -6.012 1.00 62.52 N ATOM 1011 CA GLU A 85 2.812 -16.807 -5.983 1.00 61.12 C ATOM 1012 C GLU A 85 2.260 -16.969 -7.396 1.00 73.14 C ATOM 1013 O GLU A 85 1.389 -17.805 -7.642 1.00 4.02 O ATOM 1014 CB GLU A 85 1.883 -15.912 -5.160 1.00 43.12 C ATOM 1015 CG GLU A 85 0.409 -16.219 -5.359 1.00 55.45 C ATOM 1016 CD GLU A 85 0.077 -17.677 -5.111 1.00 63.43 C ATOM 1017 OE1 GLU A 85 0.603 -18.248 -4.133 1.00 0.43 O ATOM 1018 OE2 GLU A 85 -0.708 -18.249 -5.896 1.00 54.44 O ATOM 0 H GLU A 85 4.204 -15.245 -5.838 1.00 62.52 H new ATOM 0 HA GLU A 85 2.864 -17.791 -5.517 1.00 61.12 H new ATOM 0 HB2 GLU A 85 2.129 -16.021 -4.104 1.00 43.12 H new ATOM 0 HB3 GLU A 85 2.068 -14.871 -5.424 1.00 43.12 H new ATOM 0 HG2 GLU A 85 -0.182 -15.597 -4.687 1.00 55.45 H new ATOM 0 HG3 GLU A 85 0.121 -15.953 -6.376 1.00 55.45 H new ATOM 1025 N ILE A 86 2.771 -16.164 -8.321 1.00 43.31 N ATOM 1026 CA ILE A 86 2.330 -16.218 -9.709 1.00 40.33 C ATOM 1027 C ILE A 86 2.493 -17.621 -10.284 1.00 3.23 C ATOM 1028 O ILE A 86 1.653 -18.090 -11.051 1.00 32.32 O ATOM 1029 CB ILE A 86 3.110 -15.222 -10.587 1.00 44.33 C ATOM 1030 CG1 ILE A 86 2.929 -13.796 -10.064 1.00 14.43 C ATOM 1031 CG2 ILE A 86 2.655 -15.322 -12.035 1.00 72.33 C ATOM 1032 CD1 ILE A 86 3.618 -12.749 -10.910 1.00 42.32 C ATOM 0 H ILE A 86 3.491 -15.466 -8.134 1.00 43.31 H new ATOM 0 HA ILE A 86 1.275 -15.946 -9.715 1.00 40.33 H new ATOM 0 HB ILE A 86 4.169 -15.474 -10.541 1.00 44.33 H new ATOM 0 HG12 ILE A 86 1.864 -13.568 -10.015 1.00 14.43 H new ATOM 0 HG13 ILE A 86 3.314 -13.740 -9.046 1.00 14.43 H new ATOM 0 HG21 ILE A 86 3.216 -14.612 -12.642 1.00 72.33 H new ATOM 0 HG22 ILE A 86 2.831 -16.333 -12.403 1.00 72.33 H new ATOM 0 HG23 ILE A 86 1.591 -15.093 -12.099 1.00 72.33 H new ATOM 0 HD11 ILE A 86 3.447 -11.763 -10.479 1.00 42.32 H new ATOM 0 HD12 ILE A 86 4.689 -12.951 -10.939 1.00 42.32 H new ATOM 0 HD13 ILE A 86 3.216 -12.777 -11.923 1.00 42.32 H new ATOM 1044 N SER A 87 3.580 -18.286 -9.906 1.00 31.43 N ATOM 1045 CA SER A 87 3.855 -19.636 -10.385 1.00 10.04 C ATOM 1046 C SER A 87 3.912 -20.624 -9.223 1.00 42.51 C ATOM 1047 O SER A 87 3.900 -21.837 -9.425 1.00 11.02 O ATOM 1048 CB SER A 87 5.174 -19.666 -11.160 1.00 14.02 C ATOM 1049 OG SER A 87 5.000 -20.249 -12.440 1.00 33.04 O ATOM 0 H SER A 87 4.284 -17.912 -9.270 1.00 31.43 H new ATOM 0 HA SER A 87 3.044 -19.931 -11.051 1.00 10.04 H new ATOM 0 HB2 SER A 87 5.559 -18.652 -11.268 1.00 14.02 H new ATOM 0 HB3 SER A 87 5.917 -20.231 -10.597 1.00 14.02 H new ATOM 0 HG SER A 87 5.551 -21.057 -12.509 1.00 33.04 H new ATOM 1055 N ASN A 88 3.975 -20.093 -8.006 1.00 51.11 N ATOM 1056 CA ASN A 88 4.035 -20.927 -6.811 1.00 52.30 C ATOM 1057 C ASN A 88 5.132 -21.979 -6.936 1.00 62.13 C ATOM 1058 O ASN A 88 4.920 -23.150 -6.624 1.00 61.41 O ATOM 1059 CB ASN A 88 2.686 -21.607 -6.570 1.00 55.32 C ATOM 1060 CG ASN A 88 2.340 -21.701 -5.097 1.00 2.45 C ATOM 1061 OD1 ASN A 88 2.523 -20.745 -4.343 1.00 13.43 O ATOM 1062 ND2 ASN A 88 1.839 -22.857 -4.679 1.00 74.11 N ATOM 0 H ASN A 88 3.986 -19.090 -7.822 1.00 51.11 H new ATOM 0 HA ASN A 88 4.268 -20.285 -5.962 1.00 52.30 H new ATOM 0 HB2 ASN A 88 1.905 -21.052 -7.089 1.00 55.32 H new ATOM 0 HB3 ASN A 88 2.705 -22.608 -7.000 1.00 55.32 H new ATOM 0 HD21 ASN A 88 1.589 -22.979 -3.698 1.00 74.11 H new ATOM 0 HD22 ASN A 88 1.704 -23.623 -5.339 1.00 74.11 H new ATOM 1069 N GLN A 89 6.304 -21.552 -7.395 1.00 24.14 N ATOM 1070 CA GLN A 89 7.435 -22.458 -7.561 1.00 51.10 C ATOM 1071 C GLN A 89 8.620 -22.011 -6.711 1.00 71.42 C ATOM 1072 O GLN A 89 8.783 -20.824 -6.428 1.00 74.31 O ATOM 1073 CB GLN A 89 7.846 -22.530 -9.033 1.00 13.42 C ATOM 1074 CG GLN A 89 7.164 -23.650 -9.801 1.00 34.10 C ATOM 1075 CD GLN A 89 6.248 -23.135 -10.894 1.00 61.11 C ATOM 1076 OE1 GLN A 89 6.759 -22.225 -11.715 1.00 34.24 O flip ATOM 1077 NE2 GLN A 89 5.094 -23.550 -11.000 1.00 65.41 N flip ATOM 0 H GLN A 89 6.495 -20.585 -7.658 1.00 24.14 H new ATOM 0 HA GLN A 89 7.126 -23.449 -7.228 1.00 51.10 H new ATOM 0 HB2 GLN A 89 7.615 -21.579 -9.513 1.00 13.42 H new ATOM 0 HB3 GLN A 89 8.926 -22.664 -9.094 1.00 13.42 H new ATOM 0 HG2 GLN A 89 7.922 -24.297 -10.243 1.00 34.10 H new ATOM 0 HG3 GLN A 89 6.587 -24.262 -9.108 1.00 34.10 H new ATOM 0 HE21 GLN A 89 4.742 -24.250 -10.347 1.00 65.41 H new ATOM 0 HE22 GLN A 89 4.490 -23.194 -11.741 1.00 65.41 H new ATOM 1086 N LYS A 90 9.446 -22.970 -6.306 1.00 72.33 N ATOM 1087 CA LYS A 90 10.617 -22.677 -5.489 1.00 63.12 C ATOM 1088 C LYS A 90 11.356 -21.452 -6.018 1.00 4.14 C ATOM 1089 O LYS A 90 11.771 -20.584 -5.249 1.00 23.15 O ATOM 1090 CB LYS A 90 11.560 -23.882 -5.462 1.00 22.21 C ATOM 1091 CG LYS A 90 11.938 -24.327 -4.060 1.00 32.43 C ATOM 1092 CD LYS A 90 12.656 -25.666 -4.074 1.00 72.41 C ATOM 1093 CE LYS A 90 12.931 -26.167 -2.664 1.00 55.23 C ATOM 1094 NZ LYS A 90 11.681 -26.275 -1.861 1.00 63.51 N ATOM 0 H LYS A 90 9.326 -23.958 -6.531 1.00 72.33 H new ATOM 0 HA LYS A 90 10.278 -22.466 -4.475 1.00 63.12 H new ATOM 0 HB2 LYS A 90 11.087 -24.714 -5.983 1.00 22.21 H new ATOM 0 HB3 LYS A 90 12.468 -23.635 -6.013 1.00 22.21 H new ATOM 0 HG2 LYS A 90 12.578 -23.575 -3.599 1.00 32.43 H new ATOM 0 HG3 LYS A 90 11.040 -24.401 -3.446 1.00 32.43 H new ATOM 0 HD2 LYS A 90 12.052 -26.398 -4.610 1.00 72.41 H new ATOM 0 HD3 LYS A 90 13.596 -25.570 -4.617 1.00 72.41 H new ATOM 0 HE2 LYS A 90 13.417 -27.142 -2.713 1.00 55.23 H new ATOM 0 HE3 LYS A 90 13.625 -25.490 -2.167 1.00 55.23 H new ATOM 0 HZ1 LYS A 90 11.849 -26.889 -1.039 1.00 63.51 H new ATOM 0 HZ2 LYS A 90 11.395 -25.330 -1.534 1.00 63.51 H new ATOM 0 HZ3 LYS A 90 10.925 -26.681 -2.448 1.00 63.51 H new ATOM 1108 N THR A 91 11.517 -21.386 -7.336 1.00 1.13 N ATOM 1109 CA THR A 91 12.206 -20.267 -7.967 1.00 35.13 C ATOM 1110 C THR A 91 11.223 -19.172 -8.367 1.00 62.44 C ATOM 1111 O THR A 91 10.036 -19.243 -8.050 1.00 10.15 O ATOM 1112 CB THR A 91 12.988 -20.720 -9.214 1.00 24.25 C ATOM 1113 OG1 THR A 91 12.440 -21.943 -9.719 1.00 2.14 O ATOM 1114 CG2 THR A 91 14.461 -20.916 -8.886 1.00 41.34 C ATOM 0 H THR A 91 11.179 -22.095 -7.987 1.00 1.13 H new ATOM 0 HA THR A 91 12.907 -19.872 -7.232 1.00 35.13 H new ATOM 0 HB THR A 91 12.900 -19.943 -9.973 1.00 24.25 H new ATOM 0 HG1 THR A 91 12.706 -22.059 -10.655 1.00 2.14 H new ATOM 0 HG21 THR A 91 14.994 -21.236 -9.782 1.00 41.34 H new ATOM 0 HG22 THR A 91 14.883 -19.976 -8.529 1.00 41.34 H new ATOM 0 HG23 THR A 91 14.563 -21.676 -8.112 1.00 41.34 H new ATOM 1122 N VAL A 92 11.725 -18.161 -9.068 1.00 44.51 N ATOM 1123 CA VAL A 92 10.891 -17.051 -9.514 1.00 61.23 C ATOM 1124 C VAL A 92 10.814 -16.999 -11.036 1.00 10.11 C ATOM 1125 O VAL A 92 11.096 -15.977 -11.662 1.00 1.11 O ATOM 1126 CB VAL A 92 11.423 -15.703 -8.992 1.00 31.45 C ATOM 1127 CG1 VAL A 92 10.324 -14.652 -9.012 1.00 43.52 C ATOM 1128 CG2 VAL A 92 11.993 -15.863 -7.590 1.00 71.42 C ATOM 0 H VAL A 92 12.705 -18.087 -9.340 1.00 44.51 H new ATOM 0 HA VAL A 92 9.894 -17.221 -9.108 1.00 61.23 H new ATOM 0 HB VAL A 92 12.225 -15.369 -9.650 1.00 31.45 H new ATOM 0 HG11 VAL A 92 10.718 -13.706 -8.640 1.00 43.52 H new ATOM 0 HG12 VAL A 92 9.966 -14.519 -10.033 1.00 43.52 H new ATOM 0 HG13 VAL A 92 9.499 -14.976 -8.378 1.00 43.52 H new ATOM 0 HG21 VAL A 92 12.364 -14.901 -7.236 1.00 71.42 H new ATOM 0 HG22 VAL A 92 11.212 -16.220 -6.918 1.00 71.42 H new ATOM 0 HG23 VAL A 92 12.811 -16.583 -7.610 1.00 71.42 H new ATOM 1138 N PRO A 93 10.422 -18.126 -11.648 1.00 21.54 N ATOM 1139 CA PRO A 93 10.297 -18.235 -13.104 1.00 44.32 C ATOM 1140 C PRO A 93 9.130 -17.418 -13.648 1.00 44.13 C ATOM 1141 O PRO A 93 7.983 -17.617 -13.252 1.00 1.04 O ATOM 1142 CB PRO A 93 10.055 -19.729 -13.329 1.00 61.24 C ATOM 1143 CG PRO A 93 9.451 -20.211 -12.056 1.00 22.24 C ATOM 1144 CD PRO A 93 10.070 -19.382 -10.964 1.00 61.52 C ATOM 0 HA PRO A 93 11.178 -17.850 -13.619 1.00 44.32 H new ATOM 0 HB2 PRO A 93 9.387 -19.899 -14.173 1.00 61.24 H new ATOM 0 HB3 PRO A 93 10.986 -20.252 -13.549 1.00 61.24 H new ATOM 0 HG2 PRO A 93 8.367 -20.093 -12.069 1.00 22.24 H new ATOM 0 HG3 PRO A 93 9.654 -21.271 -11.904 1.00 22.24 H new ATOM 0 HD2 PRO A 93 9.372 -19.211 -10.144 1.00 61.52 H new ATOM 0 HD3 PRO A 93 10.948 -19.868 -10.539 1.00 61.52 H new ATOM 1152 N ASN A 94 9.432 -16.498 -14.559 1.00 74.34 N ATOM 1153 CA ASN A 94 8.407 -15.651 -15.158 1.00 74.01 C ATOM 1154 C ASN A 94 8.566 -15.593 -16.674 1.00 42.13 C ATOM 1155 O ASN A 94 9.579 -15.112 -17.184 1.00 32.11 O ATOM 1156 CB ASN A 94 8.476 -14.239 -14.572 1.00 62.33 C ATOM 1157 CG ASN A 94 7.255 -13.898 -13.740 1.00 41.45 C ATOM 1158 OD1 ASN A 94 6.729 -12.787 -13.818 1.00 34.55 O ATOM 1159 ND2 ASN A 94 6.799 -14.853 -12.939 1.00 60.31 N ATOM 0 H ASN A 94 10.377 -16.320 -14.898 1.00 74.34 H new ATOM 0 HA ASN A 94 7.434 -16.085 -14.929 1.00 74.01 H new ATOM 0 HB2 ASN A 94 9.370 -14.148 -13.955 1.00 62.33 H new ATOM 0 HB3 ASN A 94 8.573 -13.517 -15.382 1.00 62.33 H new ATOM 0 HD21 ASN A 94 5.980 -14.681 -12.355 1.00 60.31 H new ATOM 0 HD22 ASN A 94 7.267 -15.759 -12.907 1.00 60.31 H new ATOM 1166 N ILE A 95 7.560 -16.085 -17.389 1.00 31.22 N ATOM 1167 CA ILE A 95 7.588 -16.088 -18.846 1.00 51.41 C ATOM 1168 C ILE A 95 6.276 -15.567 -19.422 1.00 54.50 C ATOM 1169 O ILE A 95 5.273 -16.281 -19.457 1.00 3.23 O ATOM 1170 CB ILE A 95 7.855 -17.499 -19.402 1.00 12.03 C ATOM 1171 CG1 ILE A 95 7.365 -18.560 -18.415 1.00 34.42 C ATOM 1172 CG2 ILE A 95 9.337 -17.682 -19.692 1.00 71.22 C ATOM 1173 CD1 ILE A 95 8.377 -18.904 -17.345 1.00 31.03 C ATOM 0 H ILE A 95 6.715 -16.487 -16.983 1.00 31.22 H new ATOM 0 HA ILE A 95 8.402 -15.428 -19.147 1.00 51.41 H new ATOM 0 HB ILE A 95 7.305 -17.616 -20.336 1.00 12.03 H new ATOM 0 HG12 ILE A 95 6.451 -18.206 -17.938 1.00 34.42 H new ATOM 0 HG13 ILE A 95 7.108 -19.465 -18.965 1.00 34.42 H new ATOM 0 HG21 ILE A 95 9.510 -18.684 -20.084 1.00 71.22 H new ATOM 0 HG22 ILE A 95 9.658 -16.944 -20.427 1.00 71.22 H new ATOM 0 HG23 ILE A 95 9.907 -17.549 -18.772 1.00 71.22 H new ATOM 0 HD11 ILE A 95 7.961 -19.662 -16.681 1.00 31.03 H new ATOM 0 HD12 ILE A 95 9.284 -19.288 -17.812 1.00 31.03 H new ATOM 0 HD13 ILE A 95 8.616 -18.010 -16.769 1.00 31.03 H new ATOM 1185 N PHE A 96 6.289 -14.317 -19.875 1.00 62.30 N ATOM 1186 CA PHE A 96 5.100 -13.700 -20.451 1.00 2.11 C ATOM 1187 C PHE A 96 5.475 -12.760 -21.593 1.00 54.20 C ATOM 1188 O PHE A 96 6.176 -11.769 -21.392 1.00 5.43 O ATOM 1189 CB PHE A 96 4.327 -12.933 -19.377 1.00 12.34 C ATOM 1190 CG PHE A 96 4.045 -13.745 -18.145 1.00 62.42 C ATOM 1191 CD1 PHE A 96 5.015 -13.907 -17.169 1.00 60.31 C ATOM 1192 CD2 PHE A 96 2.811 -14.348 -17.964 1.00 54.02 C ATOM 1193 CE1 PHE A 96 4.759 -14.654 -16.035 1.00 20.24 C ATOM 1194 CE2 PHE A 96 2.549 -15.096 -16.832 1.00 12.43 C ATOM 1195 CZ PHE A 96 3.524 -15.250 -15.866 1.00 65.03 C ATOM 0 H PHE A 96 7.110 -13.712 -19.854 1.00 62.30 H new ATOM 0 HA PHE A 96 4.466 -14.492 -20.849 1.00 2.11 H new ATOM 0 HB2 PHE A 96 4.895 -12.046 -19.096 1.00 12.34 H new ATOM 0 HB3 PHE A 96 3.383 -12.587 -19.798 1.00 12.34 H new ATOM 0 HD1 PHE A 96 5.982 -13.444 -17.296 1.00 60.31 H new ATOM 0 HD2 PHE A 96 2.045 -14.232 -18.716 1.00 54.02 H new ATOM 0 HE1 PHE A 96 5.524 -14.772 -15.281 1.00 20.24 H new ATOM 0 HE2 PHE A 96 1.582 -15.560 -16.703 1.00 12.43 H new ATOM 0 HZ PHE A 96 3.322 -15.835 -14.981 1.00 65.03 H new ATOM 1205 N VAL A 97 5.001 -13.079 -22.794 1.00 2.25 N ATOM 1206 CA VAL A 97 5.285 -12.264 -23.969 1.00 11.44 C ATOM 1207 C VAL A 97 4.004 -11.686 -24.559 1.00 54.10 C ATOM 1208 O VAL A 97 2.963 -12.343 -24.573 1.00 4.42 O ATOM 1209 CB VAL A 97 6.016 -13.077 -25.053 1.00 75.41 C ATOM 1210 CG1 VAL A 97 5.024 -13.900 -25.862 1.00 24.41 C ATOM 1211 CG2 VAL A 97 6.820 -12.157 -25.958 1.00 41.41 C ATOM 0 H VAL A 97 4.419 -13.896 -22.978 1.00 2.25 H new ATOM 0 HA VAL A 97 5.930 -11.449 -23.641 1.00 11.44 H new ATOM 0 HB VAL A 97 6.708 -13.763 -24.564 1.00 75.41 H new ATOM 0 HG11 VAL A 97 5.558 -14.468 -26.623 1.00 24.41 H new ATOM 0 HG12 VAL A 97 4.496 -14.587 -25.200 1.00 24.41 H new ATOM 0 HG13 VAL A 97 4.306 -13.235 -26.342 1.00 24.41 H new ATOM 0 HG21 VAL A 97 7.330 -12.749 -26.718 1.00 41.41 H new ATOM 0 HG22 VAL A 97 6.150 -11.446 -26.441 1.00 41.41 H new ATOM 0 HG23 VAL A 97 7.557 -11.616 -25.365 1.00 41.41 H new ATOM 1221 N ASN A 98 4.087 -10.452 -25.047 1.00 30.42 N ATOM 1222 CA ASN A 98 2.933 -9.785 -25.639 1.00 64.12 C ATOM 1223 C ASN A 98 1.734 -9.833 -24.697 1.00 61.34 C ATOM 1224 O ASN A 98 0.602 -10.059 -25.126 1.00 62.21 O ATOM 1225 CB ASN A 98 2.573 -10.436 -26.976 1.00 54.11 C ATOM 1226 CG ASN A 98 1.725 -9.531 -27.850 1.00 22.04 C ATOM 1227 OD1 ASN A 98 0.910 -8.755 -27.351 1.00 50.44 O ATOM 1228 ND2 ASN A 98 1.915 -9.628 -29.160 1.00 54.34 N ATOM 0 H ASN A 98 4.941 -9.894 -25.044 1.00 30.42 H new ATOM 0 HA ASN A 98 3.196 -8.741 -25.810 1.00 64.12 H new ATOM 0 HB2 ASN A 98 3.488 -10.697 -27.508 1.00 54.11 H new ATOM 0 HB3 ASN A 98 2.035 -11.366 -26.791 1.00 54.11 H new ATOM 0 HD21 ASN A 98 1.374 -9.045 -29.798 1.00 54.34 H new ATOM 0 HD22 ASN A 98 2.602 -10.286 -29.528 1.00 54.34 H new ATOM 1235 N LYS A 99 1.990 -9.619 -23.411 1.00 52.23 N ATOM 1236 CA LYS A 99 0.933 -9.635 -22.407 1.00 74.43 C ATOM 1237 C LYS A 99 0.234 -10.991 -22.376 1.00 14.24 C ATOM 1238 O LYS A 99 -0.957 -11.080 -22.075 1.00 2.34 O ATOM 1239 CB LYS A 99 -0.087 -8.530 -22.692 1.00 70.43 C ATOM 1240 CG LYS A 99 0.507 -7.133 -22.667 1.00 5.12 C ATOM 1241 CD LYS A 99 0.159 -6.356 -23.925 1.00 42.32 C ATOM 1242 CE LYS A 99 1.350 -6.255 -24.866 1.00 23.23 C ATOM 1243 NZ LYS A 99 1.043 -5.424 -26.063 1.00 21.51 N ATOM 0 H LYS A 99 2.921 -9.432 -23.039 1.00 52.23 H new ATOM 0 HA LYS A 99 1.388 -9.457 -21.433 1.00 74.43 H new ATOM 0 HB2 LYS A 99 -0.538 -8.707 -23.669 1.00 70.43 H new ATOM 0 HB3 LYS A 99 -0.888 -8.588 -21.956 1.00 70.43 H new ATOM 0 HG2 LYS A 99 0.139 -6.596 -21.793 1.00 5.12 H new ATOM 0 HG3 LYS A 99 1.590 -7.199 -22.567 1.00 5.12 H new ATOM 0 HD2 LYS A 99 -0.670 -6.844 -24.437 1.00 42.32 H new ATOM 0 HD3 LYS A 99 -0.178 -5.355 -23.654 1.00 42.32 H new ATOM 0 HE2 LYS A 99 2.198 -5.825 -24.333 1.00 23.23 H new ATOM 0 HE3 LYS A 99 1.647 -7.254 -25.184 1.00 23.23 H new ATOM 0 HZ1 LYS A 99 1.880 -5.380 -26.679 1.00 21.51 H new ATOM 0 HZ2 LYS A 99 0.250 -5.848 -26.586 1.00 21.51 H new ATOM 0 HZ3 LYS A 99 0.784 -4.463 -25.761 1.00 21.51 H new ATOM 1257 N VAL A 100 0.982 -12.045 -22.687 1.00 15.23 N ATOM 1258 CA VAL A 100 0.434 -13.396 -22.691 1.00 61.12 C ATOM 1259 C VAL A 100 1.208 -14.306 -21.743 1.00 54.51 C ATOM 1260 O VAL A 100 2.358 -14.029 -21.400 1.00 54.04 O ATOM 1261 CB VAL A 100 0.459 -14.007 -24.105 1.00 14.11 C ATOM 1262 CG1 VAL A 100 1.677 -14.901 -24.279 1.00 75.24 C ATOM 1263 CG2 VAL A 100 -0.824 -14.780 -24.373 1.00 23.20 C ATOM 0 H VAL A 100 1.969 -11.989 -22.939 1.00 15.23 H new ATOM 0 HA VAL A 100 -0.600 -13.319 -22.354 1.00 61.12 H new ATOM 0 HB VAL A 100 0.527 -13.197 -24.831 1.00 14.11 H new ATOM 0 HG11 VAL A 100 1.678 -15.324 -25.284 1.00 75.24 H new ATOM 0 HG12 VAL A 100 2.583 -14.314 -24.132 1.00 75.24 H new ATOM 0 HG13 VAL A 100 1.644 -15.707 -23.546 1.00 75.24 H new ATOM 0 HG21 VAL A 100 -0.790 -15.205 -25.376 1.00 23.20 H new ATOM 0 HG22 VAL A 100 -0.925 -15.582 -23.642 1.00 23.20 H new ATOM 0 HG23 VAL A 100 -1.678 -14.107 -24.293 1.00 23.20 H new ATOM 1273 N HIS A 101 0.569 -15.393 -21.322 1.00 40.22 N ATOM 1274 CA HIS A 101 1.198 -16.345 -20.414 1.00 12.04 C ATOM 1275 C HIS A 101 1.786 -17.523 -21.184 1.00 22.44 C ATOM 1276 O HIS A 101 1.126 -18.110 -22.041 1.00 34.33 O ATOM 1277 CB HIS A 101 0.183 -16.848 -19.386 1.00 43.30 C ATOM 1278 CG HIS A 101 -1.092 -17.342 -19.996 1.00 12.02 C ATOM 1279 ND1 HIS A 101 -2.236 -16.575 -20.074 1.00 23.31 N ATOM 1280 CD2 HIS A 101 -1.400 -18.533 -20.560 1.00 73.12 C ATOM 1281 CE1 HIS A 101 -3.192 -17.274 -20.658 1.00 75.03 C ATOM 1282 NE2 HIS A 101 -2.711 -18.466 -20.964 1.00 12.53 N ATOM 0 H HIS A 101 -0.383 -15.636 -21.595 1.00 40.22 H new ATOM 0 HA HIS A 101 2.008 -15.833 -19.894 1.00 12.04 H new ATOM 0 HB2 HIS A 101 0.634 -17.653 -18.806 1.00 43.30 H new ATOM 0 HB3 HIS A 101 -0.046 -16.042 -18.689 1.00 43.30 H new ATOM 0 HD2 HIS A 101 -0.738 -19.379 -20.672 1.00 73.12 H new ATOM 0 HE1 HIS A 101 -4.197 -16.930 -20.853 1.00 75.03 H new ATOM 0 HE2 HIS A 101 -3.229 -19.214 -21.425 1.00 12.53 H new ATOM 1290 N VAL A 102 3.033 -17.864 -20.873 1.00 30.03 N ATOM 1291 CA VAL A 102 3.710 -18.972 -21.535 1.00 24.31 C ATOM 1292 C VAL A 102 3.791 -20.191 -20.623 1.00 23.05 C ATOM 1293 O VAL A 102 3.610 -21.324 -21.066 1.00 22.35 O ATOM 1294 CB VAL A 102 5.133 -18.578 -21.974 1.00 61.44 C ATOM 1295 CG1 VAL A 102 5.865 -19.779 -22.554 1.00 30.43 C ATOM 1296 CG2 VAL A 102 5.083 -17.438 -22.980 1.00 61.10 C ATOM 0 H VAL A 102 3.594 -17.388 -20.167 1.00 30.03 H new ATOM 0 HA VAL A 102 3.121 -19.221 -22.418 1.00 24.31 H new ATOM 0 HB VAL A 102 5.683 -18.236 -21.097 1.00 61.44 H new ATOM 0 HG11 VAL A 102 6.868 -19.481 -22.859 1.00 30.43 H new ATOM 0 HG12 VAL A 102 5.932 -20.563 -21.800 1.00 30.43 H new ATOM 0 HG13 VAL A 102 5.319 -20.154 -23.420 1.00 30.43 H new ATOM 0 HG21 VAL A 102 6.097 -17.172 -23.279 1.00 61.10 H new ATOM 0 HG22 VAL A 102 4.516 -17.751 -23.857 1.00 61.10 H new ATOM 0 HG23 VAL A 102 4.600 -16.573 -22.526 1.00 61.10 H new ATOM 1306 N GLY A 103 4.064 -19.949 -19.344 1.00 25.32 N ATOM 1307 CA GLY A 103 4.164 -21.037 -18.388 1.00 42.12 C ATOM 1308 C GLY A 103 5.560 -21.179 -17.815 1.00 3.31 C ATOM 1309 O GLY A 103 5.910 -20.513 -16.841 1.00 74.01 O ATOM 0 H GLY A 103 4.218 -19.019 -18.953 1.00 25.32 H new ATOM 0 HA2 GLY A 103 3.457 -20.869 -17.576 1.00 42.12 H new ATOM 0 HA3 GLY A 103 3.877 -21.970 -18.873 1.00 42.12 H new ATOM 1313 N GLY A 104 6.361 -22.051 -18.420 1.00 2.12 N ATOM 1314 CA GLY A 104 7.717 -22.264 -17.948 1.00 41.43 C ATOM 1315 C GLY A 104 7.874 -23.577 -17.209 1.00 24.42 C ATOM 1316 O GLY A 104 6.889 -24.176 -16.776 1.00 53.14 O ATOM 0 H GLY A 104 6.095 -22.614 -19.228 1.00 2.12 H new ATOM 0 HA2 GLY A 104 8.401 -22.244 -18.796 1.00 41.43 H new ATOM 0 HA3 GLY A 104 8.002 -21.444 -17.289 1.00 41.43 H new ATOM 1320 N CYS A 105 9.116 -24.028 -17.064 1.00 74.03 N ATOM 1321 CA CYS A 105 9.398 -25.281 -16.374 1.00 24.41 C ATOM 1322 C CYS A 105 8.873 -26.471 -17.170 1.00 73.32 C ATOM 1323 O CYS A 105 8.867 -27.602 -16.684 1.00 75.40 O ATOM 1324 CB CYS A 105 8.774 -25.271 -14.978 1.00 4.23 C ATOM 1325 SG CYS A 105 9.463 -26.507 -13.852 1.00 73.21 S ATOM 0 H CYS A 105 9.943 -23.544 -17.415 1.00 74.03 H new ATOM 0 HA CYS A 105 10.480 -25.379 -16.280 1.00 24.41 H new ATOM 0 HB2 CYS A 105 8.907 -24.282 -14.540 1.00 4.23 H new ATOM 0 HB3 CYS A 105 7.701 -25.437 -15.070 1.00 4.23 H new ATOM 0 HG CYS A 105 10.756 -26.381 -13.809 1.00 73.21 H new ATOM 1331 N ASP A 106 8.431 -26.208 -18.395 1.00 31.00 N ATOM 1332 CA ASP A 106 7.902 -27.257 -19.259 1.00 62.11 C ATOM 1333 C ASP A 106 7.303 -26.663 -20.530 1.00 71.41 C ATOM 1334 O ASP A 106 7.497 -27.192 -21.625 1.00 35.00 O ATOM 1335 CB ASP A 106 6.845 -28.075 -18.516 1.00 20.13 C ATOM 1336 CG ASP A 106 7.312 -29.485 -18.211 1.00 5.42 C ATOM 1337 OD1 ASP A 106 7.678 -30.207 -19.162 1.00 10.34 O ATOM 1338 OD2 ASP A 106 7.312 -29.866 -17.021 1.00 60.14 O ATOM 0 H ASP A 106 8.429 -25.277 -18.812 1.00 31.00 H new ATOM 0 HA ASP A 106 8.726 -27.913 -19.539 1.00 62.11 H new ATOM 0 HB2 ASP A 106 6.589 -27.571 -17.584 1.00 20.13 H new ATOM 0 HB3 ASP A 106 5.936 -28.118 -19.116 1.00 20.13 H new ATOM 1343 N ARG A 107 6.574 -25.563 -20.377 1.00 11.15 N ATOM 1344 CA ARG A 107 5.944 -24.899 -21.512 1.00 3.15 C ATOM 1345 C ARG A 107 6.971 -24.106 -22.316 1.00 32.34 C ATOM 1346 O ARG A 107 7.170 -24.354 -23.506 1.00 14.25 O ATOM 1347 CB ARG A 107 4.829 -23.969 -21.031 1.00 53.10 C ATOM 1348 CG ARG A 107 3.529 -24.128 -21.803 1.00 12.34 C ATOM 1349 CD ARG A 107 3.721 -23.840 -23.283 1.00 64.55 C ATOM 1350 NE ARG A 107 2.464 -23.914 -24.023 1.00 43.22 N ATOM 1351 CZ ARG A 107 1.563 -22.938 -24.039 1.00 60.12 C ATOM 1352 NH1 ARG A 107 1.779 -21.820 -23.360 1.00 22.33 N ATOM 1353 NH2 ARG A 107 0.443 -23.079 -24.736 1.00 71.33 N ATOM 0 H ARG A 107 6.405 -25.112 -19.478 1.00 11.15 H new ATOM 0 HA ARG A 107 5.515 -25.665 -22.158 1.00 3.15 H new ATOM 0 HB2 ARG A 107 4.640 -24.158 -19.974 1.00 53.10 H new ATOM 0 HB3 ARG A 107 5.167 -22.936 -21.114 1.00 53.10 H new ATOM 0 HG2 ARG A 107 3.150 -25.142 -21.675 1.00 12.34 H new ATOM 0 HG3 ARG A 107 2.777 -23.453 -21.394 1.00 12.34 H new ATOM 0 HD2 ARG A 107 4.156 -22.848 -23.406 1.00 64.55 H new ATOM 0 HD3 ARG A 107 4.431 -24.553 -23.702 1.00 64.55 H new ATOM 0 HE ARG A 107 2.267 -24.761 -24.556 1.00 43.22 H new ATOM 0 HH11 ARG A 107 2.639 -21.707 -22.823 1.00 22.33 H new ATOM 0 HH12 ARG A 107 1.085 -21.072 -23.374 1.00 22.33 H new ATOM 0 HH21 ARG A 107 0.273 -23.937 -25.260 1.00 71.33 H new ATOM 0 HH22 ARG A 107 -0.248 -22.329 -24.748 1.00 71.33 H new ATOM 1367 N THR A 108 7.621 -23.151 -21.658 1.00 32.12 N ATOM 1368 CA THR A 108 8.625 -22.321 -22.311 1.00 21.12 C ATOM 1369 C THR A 108 9.815 -23.156 -22.770 1.00 31.33 C ATOM 1370 O THR A 108 10.565 -22.751 -23.658 1.00 73.22 O ATOM 1371 CB THR A 108 9.126 -21.205 -21.375 1.00 3.00 C ATOM 1372 OG1 THR A 108 8.013 -20.505 -20.807 1.00 45.04 O ATOM 1373 CG2 THR A 108 10.017 -20.227 -22.127 1.00 73.41 C ATOM 0 H THR A 108 7.470 -22.933 -20.673 1.00 32.12 H new ATOM 0 HA THR A 108 8.145 -21.869 -23.179 1.00 21.12 H new ATOM 0 HB THR A 108 9.710 -21.665 -20.578 1.00 3.00 H new ATOM 0 HG1 THR A 108 8.014 -19.577 -21.123 1.00 45.04 H new ATOM 0 HG21 THR A 108 10.359 -19.448 -21.445 1.00 73.41 H new ATOM 0 HG22 THR A 108 10.878 -20.758 -22.533 1.00 73.41 H new ATOM 0 HG23 THR A 108 9.453 -19.774 -22.942 1.00 73.41 H new ATOM 1381 N PHE A 109 9.982 -24.325 -22.159 1.00 43.32 N ATOM 1382 CA PHE A 109 11.082 -25.218 -22.505 1.00 41.54 C ATOM 1383 C PHE A 109 10.713 -26.099 -23.695 1.00 30.32 C ATOM 1384 O PHE A 109 11.445 -26.166 -24.682 1.00 3.35 O ATOM 1385 CB PHE A 109 11.456 -26.090 -21.305 1.00 74.35 C ATOM 1386 CG PHE A 109 12.929 -26.361 -21.196 1.00 50.24 C ATOM 1387 CD1 PHE A 109 13.678 -26.656 -22.324 1.00 40.41 C ATOM 1388 CD2 PHE A 109 13.565 -26.321 -19.966 1.00 12.30 C ATOM 1389 CE1 PHE A 109 15.034 -26.905 -22.227 1.00 42.43 C ATOM 1390 CE2 PHE A 109 14.921 -26.568 -19.863 1.00 74.41 C ATOM 1391 CZ PHE A 109 15.656 -26.862 -20.995 1.00 10.01 C ATOM 0 H PHE A 109 9.370 -24.676 -21.422 1.00 43.32 H new ATOM 0 HA PHE A 109 11.941 -24.606 -22.781 1.00 41.54 H new ATOM 0 HB2 PHE A 109 11.116 -25.602 -20.392 1.00 74.35 H new ATOM 0 HB3 PHE A 109 10.925 -27.039 -21.376 1.00 74.35 H new ATOM 0 HD1 PHE A 109 13.197 -26.692 -23.290 1.00 40.41 H new ATOM 0 HD2 PHE A 109 12.995 -26.094 -19.077 1.00 12.30 H new ATOM 0 HE1 PHE A 109 15.607 -27.133 -23.114 1.00 42.43 H new ATOM 0 HE2 PHE A 109 15.405 -26.531 -18.898 1.00 74.41 H new ATOM 0 HZ PHE A 109 16.715 -27.058 -20.917 1.00 10.01 H new ATOM 1401 N GLN A 110 9.573 -26.775 -23.592 1.00 12.52 N ATOM 1402 CA GLN A 110 9.107 -27.653 -24.658 1.00 60.30 C ATOM 1403 C GLN A 110 8.709 -26.849 -25.891 1.00 74.22 C ATOM 1404 O GLN A 110 9.159 -27.133 -27.001 1.00 15.41 O ATOM 1405 CB GLN A 110 7.921 -28.491 -24.176 1.00 4.01 C ATOM 1406 CG GLN A 110 7.678 -29.738 -25.011 1.00 54.50 C ATOM 1407 CD GLN A 110 7.753 -31.012 -24.193 1.00 42.14 C ATOM 1408 OE1 GLN A 110 8.407 -31.978 -24.587 1.00 72.25 O ATOM 1409 NE2 GLN A 110 7.083 -31.021 -23.047 1.00 2.40 N ATOM 0 H GLN A 110 8.956 -26.731 -22.781 1.00 12.52 H new ATOM 0 HA GLN A 110 9.926 -28.319 -24.930 1.00 60.30 H new ATOM 0 HB2 GLN A 110 8.091 -28.785 -23.140 1.00 4.01 H new ATOM 0 HB3 GLN A 110 7.022 -27.875 -24.189 1.00 4.01 H new ATOM 0 HG2 GLN A 110 6.697 -29.670 -25.481 1.00 54.50 H new ATOM 0 HG3 GLN A 110 8.414 -29.782 -25.814 1.00 54.50 H new ATOM 0 HE21 GLN A 110 6.554 -30.198 -22.759 1.00 2.40 H new ATOM 0 HE22 GLN A 110 7.097 -31.851 -22.454 1.00 2.40 H new ATOM 1418 N ALA A 111 7.862 -25.845 -25.689 1.00 34.34 N ATOM 1419 CA ALA A 111 7.404 -24.999 -26.784 1.00 31.23 C ATOM 1420 C ALA A 111 8.576 -24.520 -27.634 1.00 13.55 C ATOM 1421 O ALA A 111 8.432 -24.293 -28.836 1.00 24.35 O ATOM 1422 CB ALA A 111 6.622 -23.812 -26.242 1.00 35.01 C ATOM 0 H ALA A 111 7.479 -25.598 -24.777 1.00 34.34 H new ATOM 0 HA ALA A 111 6.747 -25.593 -27.420 1.00 31.23 H new ATOM 0 HB1 ALA A 111 6.286 -23.189 -27.071 1.00 35.01 H new ATOM 0 HB2 ALA A 111 5.757 -24.170 -25.684 1.00 35.01 H new ATOM 0 HB3 ALA A 111 7.262 -23.225 -25.583 1.00 35.01 H new ATOM 1428 N HIS A 112 9.735 -24.365 -27.002 1.00 21.43 N ATOM 1429 CA HIS A 112 10.932 -23.912 -27.701 1.00 23.13 C ATOM 1430 C HIS A 112 11.399 -24.955 -28.711 1.00 64.51 C ATOM 1431 O HIS A 112 11.761 -24.621 -29.839 1.00 23.41 O ATOM 1432 CB HIS A 112 12.051 -23.617 -26.701 1.00 51.41 C ATOM 1433 CG HIS A 112 13.375 -23.344 -27.347 1.00 34.02 C ATOM 1434 ND1 HIS A 112 14.567 -23.830 -26.853 1.00 71.35 N ATOM 1435 CD2 HIS A 112 13.690 -22.632 -28.454 1.00 74.10 C ATOM 1436 CE1 HIS A 112 15.558 -23.428 -27.628 1.00 42.24 C ATOM 1437 NE2 HIS A 112 15.053 -22.699 -28.607 1.00 74.43 N ATOM 0 H HIS A 112 9.871 -24.546 -26.007 1.00 21.43 H new ATOM 0 HA HIS A 112 10.684 -22.997 -28.239 1.00 23.13 H new ATOM 0 HB2 HIS A 112 11.768 -22.757 -26.095 1.00 51.41 H new ATOM 0 HB3 HIS A 112 12.154 -24.465 -26.023 1.00 51.41 H new ATOM 0 HD2 HIS A 112 12.998 -22.109 -29.097 1.00 74.10 H new ATOM 0 HE1 HIS A 112 16.604 -23.657 -27.485 1.00 42.24 H new ATOM 0 HE2 HIS A 112 15.588 -22.258 -29.355 1.00 74.43 H new ATOM 1445 N GLN A 113 11.389 -26.219 -28.298 1.00 0.42 N ATOM 1446 CA GLN A 113 11.813 -27.310 -29.167 1.00 42.20 C ATOM 1447 C GLN A 113 10.648 -27.819 -30.009 1.00 42.04 C ATOM 1448 O GLN A 113 10.848 -28.498 -31.015 1.00 74.44 O ATOM 1449 CB GLN A 113 12.396 -28.454 -28.336 1.00 61.45 C ATOM 1450 CG GLN A 113 11.348 -29.428 -27.822 1.00 11.34 C ATOM 1451 CD GLN A 113 11.937 -30.501 -26.928 1.00 22.11 C ATOM 1452 OE1 GLN A 113 11.925 -31.684 -27.269 1.00 21.35 O ATOM 1453 NE2 GLN A 113 12.458 -30.093 -25.776 1.00 74.14 N ATOM 0 H GLN A 113 11.092 -26.512 -27.367 1.00 0.42 H new ATOM 0 HA GLN A 113 12.583 -26.929 -29.838 1.00 42.20 H new ATOM 0 HB2 GLN A 113 13.121 -28.999 -28.941 1.00 61.45 H new ATOM 0 HB3 GLN A 113 12.939 -28.036 -27.488 1.00 61.45 H new ATOM 0 HG2 GLN A 113 10.586 -28.878 -27.269 1.00 11.34 H new ATOM 0 HG3 GLN A 113 10.849 -29.899 -28.669 1.00 11.34 H new ATOM 0 HE21 GLN A 113 12.447 -29.102 -25.534 1.00 74.14 H new ATOM 0 HE22 GLN A 113 12.870 -30.770 -25.134 1.00 74.14 H new ATOM 1462 N ASN A 114 9.432 -27.486 -29.591 1.00 14.13 N ATOM 1463 CA ASN A 114 8.234 -27.911 -30.307 1.00 0.54 C ATOM 1464 C ASN A 114 7.790 -26.845 -31.305 1.00 24.33 C ATOM 1465 O ASN A 114 6.948 -27.098 -32.165 1.00 10.12 O ATOM 1466 CB ASN A 114 7.102 -28.204 -29.320 1.00 50.00 C ATOM 1467 CG ASN A 114 7.018 -29.674 -28.957 1.00 2.02 C ATOM 1468 OD1 ASN A 114 8.017 -30.162 -28.231 1.00 20.35 O flip ATOM 1469 ND2 ASN A 114 6.066 -30.362 -29.325 1.00 4.21 N flip ATOM 0 H ASN A 114 9.249 -26.923 -28.760 1.00 14.13 H new ATOM 0 HA ASN A 114 8.473 -28.821 -30.857 1.00 0.54 H new ATOM 0 HB2 ASN A 114 7.252 -27.617 -28.414 1.00 50.00 H new ATOM 0 HB3 ASN A 114 6.154 -27.885 -29.753 1.00 50.00 H new ATOM 0 HD21 ASN A 114 5.320 -29.945 -29.882 1.00 4.21 H new ATOM 0 HD22 ASN A 114 6.023 -31.349 -29.073 1.00 4.21 H new ATOM 1476 N GLY A 115 8.365 -25.652 -31.183 1.00 70.33 N ATOM 1477 CA GLY A 115 8.017 -24.567 -32.081 1.00 51.51 C ATOM 1478 C GLY A 115 6.820 -23.774 -31.595 1.00 52.33 C ATOM 1479 O GLY A 115 6.495 -22.723 -32.150 1.00 11.11 O ATOM 0 H GLY A 115 9.065 -25.418 -30.479 1.00 70.33 H new ATOM 0 HA2 GLY A 115 8.872 -23.900 -32.188 1.00 51.51 H new ATOM 0 HA3 GLY A 115 7.803 -24.972 -33.070 1.00 51.51 H new ATOM 1483 N LEU A 116 6.160 -24.277 -30.558 1.00 24.21 N ATOM 1484 CA LEU A 116 4.990 -23.610 -29.998 1.00 4.42 C ATOM 1485 C LEU A 116 5.376 -22.279 -29.359 1.00 62.32 C ATOM 1486 O LEU A 116 4.525 -21.420 -29.126 1.00 32.21 O ATOM 1487 CB LEU A 116 4.313 -24.508 -28.962 1.00 22.43 C ATOM 1488 CG LEU A 116 2.785 -24.544 -29.001 1.00 30.05 C ATOM 1489 CD1 LEU A 116 2.214 -23.144 -28.840 1.00 41.42 C ATOM 1490 CD2 LEU A 116 2.299 -25.175 -30.297 1.00 40.13 C ATOM 0 H LEU A 116 6.415 -25.145 -30.088 1.00 24.21 H new ATOM 0 HA LEU A 116 4.291 -23.413 -30.811 1.00 4.42 H new ATOM 0 HB2 LEU A 116 4.684 -25.524 -29.094 1.00 22.43 H new ATOM 0 HB3 LEU A 116 4.624 -24.182 -27.969 1.00 22.43 H new ATOM 0 HG LEU A 116 2.434 -25.155 -28.169 1.00 30.05 H new ATOM 0 HD11 LEU A 116 1.125 -23.189 -28.870 1.00 41.42 H new ATOM 0 HD12 LEU A 116 2.533 -22.728 -27.884 1.00 41.42 H new ATOM 0 HD13 LEU A 116 2.573 -22.509 -29.650 1.00 41.42 H new ATOM 0 HD21 LEU A 116 1.209 -25.192 -30.307 1.00 40.13 H new ATOM 0 HD22 LEU A 116 2.661 -24.592 -31.144 1.00 40.13 H new ATOM 0 HD23 LEU A 116 2.679 -26.194 -30.370 1.00 40.13 H new ATOM 1502 N LEU A 117 6.665 -22.114 -29.081 1.00 34.55 N ATOM 1503 CA LEU A 117 7.165 -20.887 -28.471 1.00 34.12 C ATOM 1504 C LEU A 117 7.493 -19.845 -29.535 1.00 41.01 C ATOM 1505 O LEU A 117 7.010 -18.715 -29.480 1.00 13.43 O ATOM 1506 CB LEU A 117 8.407 -21.182 -27.629 1.00 22.12 C ATOM 1507 CG LEU A 117 8.677 -20.221 -26.471 1.00 0.32 C ATOM 1508 CD1 LEU A 117 7.581 -20.328 -25.422 1.00 1.42 C ATOM 1509 CD2 LEU A 117 10.039 -20.500 -25.852 1.00 40.12 C ATOM 0 H LEU A 117 7.382 -22.814 -29.268 1.00 34.55 H new ATOM 0 HA LEU A 117 6.383 -20.486 -27.825 1.00 34.12 H new ATOM 0 HB2 LEU A 117 8.316 -22.190 -27.224 1.00 22.12 H new ATOM 0 HB3 LEU A 117 9.276 -21.180 -28.287 1.00 22.12 H new ATOM 0 HG LEU A 117 8.680 -19.204 -26.862 1.00 0.32 H new ATOM 0 HD11 LEU A 117 7.790 -19.637 -24.606 1.00 1.42 H new ATOM 0 HD12 LEU A 117 6.621 -20.078 -25.872 1.00 1.42 H new ATOM 0 HD13 LEU A 117 7.546 -21.346 -25.035 1.00 1.42 H new ATOM 0 HD21 LEU A 117 10.214 -19.806 -25.030 1.00 40.12 H new ATOM 0 HD22 LEU A 117 10.065 -21.523 -25.476 1.00 40.12 H new ATOM 0 HD23 LEU A 117 10.815 -20.371 -26.607 1.00 40.12 H new ATOM 1521 N GLN A 118 8.316 -20.235 -30.503 1.00 50.33 N ATOM 1522 CA GLN A 118 8.707 -19.334 -31.581 1.00 43.12 C ATOM 1523 C GLN A 118 7.481 -18.761 -32.284 1.00 10.54 C ATOM 1524 O GLN A 118 7.484 -17.609 -32.720 1.00 72.45 O ATOM 1525 CB GLN A 118 9.592 -20.067 -32.591 1.00 71.00 C ATOM 1526 CG GLN A 118 8.818 -20.983 -33.526 1.00 1.14 C ATOM 1527 CD GLN A 118 9.701 -21.621 -34.580 1.00 74.21 C ATOM 1528 OE1 GLN A 118 9.722 -22.843 -34.731 1.00 62.04 O ATOM 1529 NE2 GLN A 118 10.435 -20.796 -35.317 1.00 11.43 N ATOM 0 H GLN A 118 8.725 -21.168 -30.563 1.00 50.33 H new ATOM 0 HA GLN A 118 9.271 -18.510 -31.144 1.00 43.12 H new ATOM 0 HB2 GLN A 118 10.137 -19.333 -33.184 1.00 71.00 H new ATOM 0 HB3 GLN A 118 10.334 -20.655 -32.052 1.00 71.00 H new ATOM 0 HG2 GLN A 118 8.332 -21.765 -32.943 1.00 1.14 H new ATOM 0 HG3 GLN A 118 8.028 -20.413 -34.015 1.00 1.14 H new ATOM 0 HE21 GLN A 118 10.386 -19.790 -35.158 1.00 11.43 H new ATOM 0 HE22 GLN A 118 11.047 -21.168 -36.043 1.00 11.43 H new ATOM 1538 N LYS A 119 6.433 -19.571 -32.390 1.00 2.34 N ATOM 1539 CA LYS A 119 5.199 -19.145 -33.038 1.00 53.11 C ATOM 1540 C LYS A 119 4.372 -18.262 -32.108 1.00 61.24 C ATOM 1541 O LYS A 119 3.531 -17.484 -32.560 1.00 34.20 O ATOM 1542 CB LYS A 119 4.377 -20.363 -33.466 1.00 50.14 C ATOM 1543 CG LYS A 119 3.999 -21.277 -32.314 1.00 63.50 C ATOM 1544 CD LYS A 119 2.709 -20.831 -31.648 1.00 35.31 C ATOM 1545 CE LYS A 119 1.571 -21.800 -31.932 1.00 20.45 C ATOM 1546 NZ LYS A 119 0.414 -21.579 -31.020 1.00 60.55 N ATOM 0 H LYS A 119 6.414 -20.527 -32.035 1.00 2.34 H new ATOM 0 HA LYS A 119 5.464 -18.564 -33.921 1.00 53.11 H new ATOM 0 HB2 LYS A 119 3.468 -20.022 -33.961 1.00 50.14 H new ATOM 0 HB3 LYS A 119 4.945 -20.934 -34.201 1.00 50.14 H new ATOM 0 HG2 LYS A 119 3.886 -22.298 -32.680 1.00 63.50 H new ATOM 0 HG3 LYS A 119 4.804 -21.289 -31.579 1.00 63.50 H new ATOM 0 HD2 LYS A 119 2.862 -20.753 -30.572 1.00 35.31 H new ATOM 0 HD3 LYS A 119 2.439 -19.837 -32.004 1.00 35.31 H new ATOM 0 HE2 LYS A 119 1.246 -21.685 -32.966 1.00 20.45 H new ATOM 0 HE3 LYS A 119 1.930 -22.824 -31.822 1.00 20.45 H new ATOM 0 HZ1 LYS A 119 -0.104 -22.472 -30.894 1.00 60.55 H new ATOM 0 HZ2 LYS A 119 0.758 -21.245 -30.097 1.00 60.55 H new ATOM 0 HZ3 LYS A 119 -0.221 -20.866 -31.432 1.00 60.55 H new ATOM 1560 N LEU A 120 4.618 -18.387 -30.809 1.00 12.41 N ATOM 1561 CA LEU A 120 3.897 -17.599 -29.815 1.00 40.51 C ATOM 1562 C LEU A 120 4.494 -16.200 -29.692 1.00 74.11 C ATOM 1563 O LEU A 120 3.767 -15.207 -29.625 1.00 25.31 O ATOM 1564 CB LEU A 120 3.930 -18.301 -28.457 1.00 2.14 C ATOM 1565 CG LEU A 120 2.960 -17.768 -27.402 1.00 32.22 C ATOM 1566 CD1 LEU A 120 3.446 -16.436 -26.853 1.00 44.11 C ATOM 1567 CD2 LEU A 120 1.562 -17.628 -27.986 1.00 14.12 C ATOM 0 H LEU A 120 5.311 -19.026 -30.419 1.00 12.41 H new ATOM 0 HA LEU A 120 2.862 -17.505 -30.143 1.00 40.51 H new ATOM 0 HB2 LEU A 120 3.721 -19.359 -28.612 1.00 2.14 H new ATOM 0 HB3 LEU A 120 4.942 -18.231 -28.059 1.00 2.14 H new ATOM 0 HG LEU A 120 2.919 -18.483 -26.580 1.00 32.22 H new ATOM 0 HD11 LEU A 120 2.743 -16.073 -26.104 1.00 44.11 H new ATOM 0 HD12 LEU A 120 4.427 -16.567 -26.396 1.00 44.11 H new ATOM 0 HD13 LEU A 120 3.517 -15.712 -27.665 1.00 44.11 H new ATOM 0 HD21 LEU A 120 0.885 -17.248 -27.221 1.00 14.12 H new ATOM 0 HD22 LEU A 120 1.587 -16.935 -28.827 1.00 14.12 H new ATOM 0 HD23 LEU A 120 1.212 -18.602 -28.329 1.00 14.12 H new ATOM 1579 N LEU A 121 5.820 -16.129 -29.665 1.00 52.31 N ATOM 1580 CA LEU A 121 6.515 -14.851 -29.553 1.00 21.13 C ATOM 1581 C LEU A 121 6.217 -13.961 -30.755 1.00 63.43 C ATOM 1582 O LEU A 121 6.399 -12.746 -30.699 1.00 54.52 O ATOM 1583 CB LEU A 121 8.023 -15.078 -29.432 1.00 41.35 C ATOM 1584 CG LEU A 121 8.471 -16.047 -28.338 1.00 1.54 C ATOM 1585 CD1 LEU A 121 9.951 -15.866 -28.038 1.00 62.43 C ATOM 1586 CD2 LEU A 121 7.642 -15.847 -27.077 1.00 61.11 C ATOM 0 H LEU A 121 6.435 -16.941 -29.719 1.00 52.31 H new ATOM 0 HA LEU A 121 6.156 -14.348 -28.655 1.00 21.13 H new ATOM 0 HB2 LEU A 121 8.392 -15.446 -30.389 1.00 41.35 H new ATOM 0 HB3 LEU A 121 8.502 -14.115 -29.255 1.00 41.35 H new ATOM 0 HG LEU A 121 8.315 -17.065 -28.695 1.00 1.54 H new ATOM 0 HD11 LEU A 121 10.252 -16.564 -27.257 1.00 62.43 H new ATOM 0 HD12 LEU A 121 10.531 -16.059 -28.940 1.00 62.43 H new ATOM 0 HD13 LEU A 121 10.132 -14.845 -27.702 1.00 62.43 H new ATOM 0 HD21 LEU A 121 7.974 -16.545 -26.309 1.00 61.11 H new ATOM 0 HD22 LEU A 121 7.767 -14.825 -26.718 1.00 61.11 H new ATOM 0 HD23 LEU A 121 6.590 -16.027 -27.300 1.00 61.11 H new