USER MOD reduce.3.24.130724 H: found=0, std=0, add=907, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 905 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 99 TYR OH : rot 30:sc= 1.08 USER MOD Set 1.2: A 114 THR OG1 : rot 149:sc= 1.31 USER MOD Set 2.1: A 85 TYR OH : rot -79:sc= 0.75 USER MOD Set 2.2: A 93 TYR OH : rot 100:sc= 0.791 USER MOD Set 3.1: A 40 GLN : amide:sc= 0.494 K(o=1.5,f=-4.3) USER MOD Set 3.2: A 73 THR OG1 : rot 145:sc= 1.31 USER MOD Set 3.3: A 75 TYR OH : rot -94:sc= -0.302 USER MOD Set 4.1: A 46 LYS NZ :NH3+ -177:sc= 0.296 (180deg=0) USER MOD Set 4.2: A 48 ASN : amide:sc= -2.86 K(o=-2.6,f=-11!) USER MOD Set 5.1: A 37 TYR OH : rot 180:sc= -0.166 USER MOD Set 5.2: A 39 TYR OH : rot 180:sc=-0.00176 USER MOD Single : A 13 LYS NZ :NH3+ -163:sc= -0.0502 (180deg=-0.392) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 173:sc= 0.761 USER MOD Single : A 38 MET CE :methyl -119:sc= -3.47 (180deg=-7.35!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -78:sc= -0.17 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 57 SER OG : rot -62:sc= 0.729 USER MOD Single : A 59 SER OG : rot -43:sc= 0.108 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0.498 X(o=0.5,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -1.03 K(o=-1,f=-0.098) USER MOD Single : A 77 HIS : no HE2:sc= -0.919 X(o=-0.92,f=-1.2) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.54 K(o=-0.54,f=-1.1) USER MOD Single : A 102 SER OG : rot 180:sc= -0.816 USER MOD Single : A 108 CYS SG : rot 39:sc= -0.0323 USER MOD Single : A 109 TYR OH : rot -28:sc= 0.0963 USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 100:sc= -0.725 USER MOD Single : A 125 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-0.066) USER MOD Single : A 127 GLN : amide:sc= -0.0294 K(o=-0.029,f=-0.59) USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N ASP A 7 -7.521 7.204 5.487 1.00 51.04 N ATOM 84 CA ASP A 7 -8.216 6.197 6.280 1.00 31.00 C ATOM 85 C ASP A 7 -8.865 5.149 5.381 1.00 42.32 C ATOM 86 O ASP A 7 -9.634 4.307 5.846 1.00 61.13 O ATOM 87 CB ASP A 7 -9.276 6.856 7.164 1.00 75.32 C ATOM 88 CG ASP A 7 -10.575 7.104 6.422 1.00 12.31 C ATOM 89 OD1 ASP A 7 -10.599 8.001 5.553 1.00 34.42 O ATOM 90 OD2 ASP A 7 -11.568 6.403 6.711 1.00 4.13 O ATOM 0 HA ASP A 7 -7.482 5.700 6.915 1.00 31.00 H new ATOM 0 HB2 ASP A 7 -9.470 6.221 8.028 1.00 75.32 H new ATOM 0 HB3 ASP A 7 -8.891 7.803 7.544 1.00 75.32 H new ATOM 95 N LEU A 8 -8.551 5.208 4.091 1.00 21.24 N ATOM 96 CA LEU A 8 -9.104 4.265 3.126 1.00 61.43 C ATOM 97 C LEU A 8 -8.613 2.848 3.406 1.00 34.30 C ATOM 98 O LEU A 8 -9.181 1.873 2.911 1.00 15.22 O ATOM 99 CB LEU A 8 -8.721 4.677 1.703 1.00 1.03 C ATOM 100 CG LEU A 8 -9.808 5.385 0.894 1.00 71.21 C ATOM 101 CD1 LEU A 8 -10.112 6.751 1.488 1.00 4.42 C ATOM 102 CD2 LEU A 8 -9.388 5.516 -0.563 1.00 32.01 C ATOM 0 H LEU A 8 -7.917 5.899 3.690 1.00 21.24 H new ATOM 0 HA LEU A 8 -10.190 4.280 3.223 1.00 61.43 H new ATOM 0 HB2 LEU A 8 -7.852 5.332 1.757 1.00 1.03 H new ATOM 0 HB3 LEU A 8 -8.414 3.784 1.158 1.00 1.03 H new ATOM 0 HG LEU A 8 -10.716 4.783 0.937 1.00 71.21 H new ATOM 0 HD11 LEU A 8 -10.888 7.240 0.899 1.00 4.42 H new ATOM 0 HD12 LEU A 8 -10.457 6.633 2.515 1.00 4.42 H new ATOM 0 HD13 LEU A 8 -9.209 7.362 1.477 1.00 4.42 H new ATOM 0 HD21 LEU A 8 -10.174 6.022 -1.124 1.00 32.01 H new ATOM 0 HD22 LEU A 8 -8.467 6.095 -0.625 1.00 32.01 H new ATOM 0 HD23 LEU A 8 -9.223 4.525 -0.985 1.00 32.01 H new ATOM 114 N LEU A 9 -7.557 2.740 4.204 1.00 42.31 N ATOM 115 CA LEU A 9 -6.990 1.442 4.553 1.00 74.11 C ATOM 116 C LEU A 9 -7.286 1.092 6.008 1.00 51.12 C ATOM 117 O LEU A 9 -7.556 1.960 6.838 1.00 11.21 O ATOM 118 CB LEU A 9 -5.480 1.441 4.313 1.00 3.41 C ATOM 119 CG LEU A 9 -4.774 2.789 4.472 1.00 33.35 C ATOM 120 CD1 LEU A 9 -4.863 3.270 5.912 1.00 4.52 C ATOM 121 CD2 LEU A 9 -3.322 2.686 4.031 1.00 62.23 C ATOM 0 H LEU A 9 -7.076 3.536 4.622 1.00 42.31 H new ATOM 0 HA LEU A 9 -7.453 0.688 3.916 1.00 74.11 H new ATOM 0 HB2 LEU A 9 -5.023 0.731 5.002 1.00 3.41 H new ATOM 0 HB3 LEU A 9 -5.293 1.072 3.305 1.00 3.41 H new ATOM 0 HG LEU A 9 -5.275 3.518 3.835 1.00 33.35 H new ATOM 0 HD11 LEU A 9 -4.356 4.230 6.007 1.00 4.52 H new ATOM 0 HD12 LEU A 9 -5.910 3.383 6.194 1.00 4.52 H new ATOM 0 HD13 LEU A 9 -4.387 2.542 6.569 1.00 4.52 H new ATOM 0 HD21 LEU A 9 -2.836 3.654 4.151 1.00 62.23 H new ATOM 0 HD22 LEU A 9 -2.808 1.944 4.642 1.00 62.23 H new ATOM 0 HD23 LEU A 9 -3.280 2.386 2.984 1.00 62.23 H new ATOM 133 N PRO A 10 -7.232 -0.210 6.326 1.00 14.34 N ATOM 134 CA PRO A 10 -7.489 -0.704 7.682 1.00 24.05 C ATOM 135 C PRO A 10 -6.382 -0.319 8.659 1.00 52.14 C ATOM 136 O PRO A 10 -5.236 -0.084 8.274 1.00 33.34 O ATOM 137 CB PRO A 10 -7.538 -2.223 7.503 1.00 72.33 C ATOM 138 CG PRO A 10 -6.719 -2.488 6.287 1.00 42.10 C ATOM 139 CD PRO A 10 -6.917 -1.299 5.387 1.00 22.34 C ATOM 0 HA PRO A 10 -8.401 -0.281 8.104 1.00 24.05 H new ATOM 0 HB2 PRO A 10 -7.132 -2.737 8.374 1.00 72.33 H new ATOM 0 HB3 PRO A 10 -8.562 -2.574 7.375 1.00 72.33 H new ATOM 0 HG2 PRO A 10 -5.667 -2.612 6.544 1.00 42.10 H new ATOM 0 HG3 PRO A 10 -7.037 -3.407 5.795 1.00 42.10 H new ATOM 0 HD2 PRO A 10 -6.021 -1.082 4.805 1.00 22.34 H new ATOM 0 HD3 PRO A 10 -7.727 -1.463 4.676 1.00 22.34 H new ATOM 147 N PRO A 11 -6.730 -0.252 9.952 1.00 31.12 N ATOM 148 CA PRO A 11 -5.780 0.103 11.010 1.00 3.32 C ATOM 149 C PRO A 11 -4.739 -0.987 11.245 1.00 15.41 C ATOM 150 O PRO A 11 -3.778 -0.789 11.987 1.00 31.33 O ATOM 151 CB PRO A 11 -6.669 0.269 12.245 1.00 31.30 C ATOM 152 CG PRO A 11 -7.862 -0.579 11.969 1.00 74.22 C ATOM 153 CD PRO A 11 -8.078 -0.519 10.482 1.00 40.12 C ATOM 0 HA PRO A 11 -5.206 0.995 10.759 1.00 3.32 H new ATOM 0 HB2 PRO A 11 -6.154 -0.054 13.150 1.00 31.30 H new ATOM 0 HB3 PRO A 11 -6.950 1.312 12.393 1.00 31.30 H new ATOM 0 HG2 PRO A 11 -7.696 -1.605 12.298 1.00 74.22 H new ATOM 0 HG3 PRO A 11 -8.736 -0.209 12.505 1.00 74.22 H new ATOM 0 HD2 PRO A 11 -8.483 -1.455 10.097 1.00 40.12 H new ATOM 0 HD3 PRO A 11 -8.780 0.269 10.209 1.00 40.12 H new ATOM 161 N GLU A 12 -4.939 -2.136 10.607 1.00 2.14 N ATOM 162 CA GLU A 12 -4.017 -3.257 10.749 1.00 41.15 C ATOM 163 C GLU A 12 -2.750 -3.026 9.930 1.00 52.04 C ATOM 164 O GLU A 12 -1.647 -3.355 10.365 1.00 24.01 O ATOM 165 CB GLU A 12 -4.691 -4.559 10.310 1.00 41.43 C ATOM 166 CG GLU A 12 -6.097 -4.732 10.860 1.00 43.44 C ATOM 167 CD GLU A 12 -6.682 -6.095 10.546 1.00 11.22 C ATOM 168 OE1 GLU A 12 -6.116 -6.801 9.686 1.00 4.02 O ATOM 169 OE2 GLU A 12 -7.707 -6.455 11.162 1.00 73.32 O ATOM 0 H GLU A 12 -5.730 -2.315 9.988 1.00 2.14 H new ATOM 0 HA GLU A 12 -3.740 -3.336 11.800 1.00 41.15 H new ATOM 0 HB2 GLU A 12 -4.730 -4.589 9.221 1.00 41.43 H new ATOM 0 HB3 GLU A 12 -4.078 -5.402 10.631 1.00 41.43 H new ATOM 0 HG2 GLU A 12 -6.081 -4.588 11.940 1.00 43.44 H new ATOM 0 HG3 GLU A 12 -6.743 -3.959 10.445 1.00 43.44 H new ATOM 176 N LYS A 13 -2.917 -2.458 8.740 1.00 72.31 N ATOM 177 CA LYS A 13 -1.789 -2.182 7.858 1.00 12.34 C ATOM 178 C LYS A 13 -1.405 -0.707 7.913 1.00 3.34 C ATOM 179 O LYS A 13 -0.380 -0.302 7.365 1.00 1.02 O ATOM 180 CB LYS A 13 -2.130 -2.577 6.420 1.00 35.50 C ATOM 181 CG LYS A 13 -2.941 -1.530 5.677 1.00 51.20 C ATOM 182 CD LYS A 13 -2.043 -0.529 4.968 1.00 34.52 C ATOM 183 CE LYS A 13 -2.445 -0.354 3.512 1.00 60.54 C ATOM 184 NZ LYS A 13 -1.444 0.445 2.752 1.00 23.44 N ATOM 0 H LYS A 13 -3.823 -2.180 8.364 1.00 72.31 H new ATOM 0 HA LYS A 13 -0.940 -2.774 8.199 1.00 12.34 H new ATOM 0 HB2 LYS A 13 -1.205 -2.762 5.874 1.00 35.50 H new ATOM 0 HB3 LYS A 13 -2.686 -3.514 6.432 1.00 35.50 H new ATOM 0 HG2 LYS A 13 -3.588 -2.019 4.949 1.00 51.20 H new ATOM 0 HG3 LYS A 13 -3.590 -1.005 6.379 1.00 51.20 H new ATOM 0 HD2 LYS A 13 -2.094 0.433 5.479 1.00 34.52 H new ATOM 0 HD3 LYS A 13 -1.007 -0.865 5.023 1.00 34.52 H new ATOM 0 HE2 LYS A 13 -2.557 -1.333 3.046 1.00 60.54 H new ATOM 0 HE3 LYS A 13 -3.417 0.137 3.460 1.00 60.54 H new ATOM 0 HZ1 LYS A 13 -1.871 0.786 1.867 1.00 23.44 H new ATOM 0 HZ2 LYS A 13 -1.141 1.258 3.326 1.00 23.44 H new ATOM 0 HZ3 LYS A 13 -0.620 -0.150 2.531 1.00 23.44 H new ATOM 198 N ALA A 14 -2.232 0.092 8.580 1.00 75.54 N ATOM 199 CA ALA A 14 -1.977 1.521 8.709 1.00 63.31 C ATOM 200 C ALA A 14 -0.764 1.783 9.595 1.00 1.32 C ATOM 201 O ALA A 14 -0.133 2.836 9.505 1.00 45.44 O ATOM 202 CB ALA A 14 -3.203 2.228 9.266 1.00 11.11 C ATOM 0 H ALA A 14 -3.085 -0.227 9.040 1.00 75.54 H new ATOM 0 HA ALA A 14 -1.763 1.918 7.717 1.00 63.31 H new ATOM 0 HB1 ALA A 14 -2.998 3.295 9.357 1.00 11.11 H new ATOM 0 HB2 ALA A 14 -4.047 2.077 8.593 1.00 11.11 H new ATOM 0 HB3 ALA A 14 -3.444 1.820 10.248 1.00 11.11 H new ATOM 208 N PHE A 15 -0.444 0.820 10.453 1.00 64.25 N ATOM 209 CA PHE A 15 0.693 0.948 11.357 1.00 61.00 C ATOM 210 C PHE A 15 1.748 -0.113 11.058 1.00 23.01 C ATOM 211 O PHE A 15 1.433 -1.294 10.913 1.00 65.31 O ATOM 212 CB PHE A 15 0.231 0.829 12.811 1.00 62.32 C ATOM 213 CG PHE A 15 -1.027 1.594 13.105 1.00 75.25 C ATOM 214 CD1 PHE A 15 -1.100 2.955 12.857 1.00 12.12 C ATOM 215 CD2 PHE A 15 -2.138 0.952 13.629 1.00 61.44 C ATOM 216 CE1 PHE A 15 -2.257 3.662 13.126 1.00 11.10 C ATOM 217 CE2 PHE A 15 -3.297 1.653 13.899 1.00 55.20 C ATOM 218 CZ PHE A 15 -3.357 3.010 13.649 1.00 42.34 C ATOM 0 H PHE A 15 -0.956 -0.058 10.541 1.00 64.25 H new ATOM 0 HA PHE A 15 1.139 1.931 11.204 1.00 61.00 H new ATOM 0 HB2 PHE A 15 0.071 -0.223 13.048 1.00 62.32 H new ATOM 0 HB3 PHE A 15 1.025 1.186 13.467 1.00 62.32 H new ATOM 0 HD1 PHE A 15 -0.243 3.470 12.449 1.00 12.12 H new ATOM 0 HD2 PHE A 15 -2.097 -0.109 13.828 1.00 61.44 H new ATOM 0 HE1 PHE A 15 -2.301 4.723 12.928 1.00 11.10 H new ATOM 0 HE2 PHE A 15 -4.156 1.140 14.306 1.00 55.20 H new ATOM 0 HZ PHE A 15 -4.262 3.560 13.862 1.00 42.34 H new ATOM 228 N VAL A 16 3.003 0.318 10.967 1.00 74.42 N ATOM 229 CA VAL A 16 4.105 -0.594 10.686 1.00 42.02 C ATOM 230 C VAL A 16 5.160 -0.535 11.785 1.00 63.53 C ATOM 231 O VAL A 16 6.190 0.127 11.656 1.00 24.41 O ATOM 232 CB VAL A 16 4.769 -0.272 9.334 1.00 43.41 C ATOM 233 CG1 VAL A 16 5.744 -1.372 8.942 1.00 54.24 C ATOM 234 CG2 VAL A 16 3.714 -0.073 8.256 1.00 21.23 C ATOM 0 H VAL A 16 3.281 1.292 11.084 1.00 74.42 H new ATOM 0 HA VAL A 16 3.683 -1.598 10.645 1.00 42.02 H new ATOM 0 HB VAL A 16 5.330 0.657 9.437 1.00 43.41 H new ATOM 0 HG11 VAL A 16 6.203 -1.127 7.984 1.00 54.24 H new ATOM 0 HG12 VAL A 16 6.519 -1.460 9.704 1.00 54.24 H new ATOM 0 HG13 VAL A 16 5.210 -2.318 8.857 1.00 54.24 H new ATOM 0 HG21 VAL A 16 4.201 0.154 7.308 1.00 21.23 H new ATOM 0 HG22 VAL A 16 3.124 -0.983 8.152 1.00 21.23 H new ATOM 0 HG23 VAL A 16 3.060 0.754 8.535 1.00 21.23 H new ATOM 244 N PRO A 17 4.900 -1.245 12.893 1.00 43.11 N ATOM 245 CA PRO A 17 5.816 -1.291 14.036 1.00 3.04 C ATOM 246 C PRO A 17 7.094 -2.062 13.725 1.00 45.13 C ATOM 247 O PRO A 17 7.064 -3.073 13.025 1.00 63.34 O ATOM 248 CB PRO A 17 5.004 -2.015 15.113 1.00 70.43 C ATOM 249 CG PRO A 17 4.022 -2.841 14.355 1.00 43.11 C ATOM 250 CD PRO A 17 3.692 -2.057 13.115 1.00 63.33 C ATOM 0 HA PRO A 17 6.149 -0.296 14.331 1.00 3.04 H new ATOM 0 HB2 PRO A 17 5.643 -2.636 15.740 1.00 70.43 H new ATOM 0 HB3 PRO A 17 4.501 -1.308 15.772 1.00 70.43 H new ATOM 0 HG2 PRO A 17 4.444 -3.814 14.101 1.00 43.11 H new ATOM 0 HG3 PRO A 17 3.127 -3.027 14.949 1.00 43.11 H new ATOM 0 HD2 PRO A 17 3.487 -2.712 12.268 1.00 63.33 H new ATOM 0 HD3 PRO A 17 2.809 -1.434 13.257 1.00 63.33 H new ATOM 258 N GLU A 18 8.216 -1.577 14.249 1.00 34.15 N ATOM 259 CA GLU A 18 9.504 -2.222 14.026 1.00 41.12 C ATOM 260 C GLU A 18 10.356 -2.189 15.291 1.00 2.43 C ATOM 261 O GLU A 18 10.506 -1.143 15.925 1.00 24.11 O ATOM 262 CB GLU A 18 10.249 -1.538 12.878 1.00 44.31 C ATOM 263 CG GLU A 18 11.477 -2.301 12.409 1.00 53.25 C ATOM 264 CD GLU A 18 12.717 -1.430 12.348 1.00 71.45 C ATOM 265 OE1 GLU A 18 13.416 -1.320 13.376 1.00 1.11 O ATOM 266 OE2 GLU A 18 12.988 -0.860 11.270 1.00 11.31 O ATOM 0 H GLU A 18 8.258 -0.740 14.830 1.00 34.15 H new ATOM 0 HA GLU A 18 9.319 -3.263 13.761 1.00 41.12 H new ATOM 0 HB2 GLU A 18 9.567 -1.412 12.037 1.00 44.31 H new ATOM 0 HB3 GLU A 18 10.551 -0.540 13.196 1.00 44.31 H new ATOM 0 HG2 GLU A 18 11.659 -3.139 13.082 1.00 53.25 H new ATOM 0 HG3 GLU A 18 11.284 -2.721 11.422 1.00 53.25 H new ATOM 273 N LEU A 19 10.911 -3.340 15.654 1.00 43.31 N ATOM 274 CA LEU A 19 11.748 -3.444 16.844 1.00 23.11 C ATOM 275 C LEU A 19 13.224 -3.520 16.467 1.00 63.00 C ATOM 276 O LEU A 19 13.582 -4.074 15.428 1.00 31.31 O ATOM 277 CB LEU A 19 11.355 -4.676 17.662 1.00 41.32 C ATOM 278 CG LEU A 19 11.392 -4.512 19.182 1.00 72.04 C ATOM 279 CD1 LEU A 19 12.824 -4.352 19.667 1.00 42.32 C ATOM 280 CD2 LEU A 19 10.545 -3.323 19.611 1.00 43.54 C ATOM 0 H LEU A 19 10.797 -4.214 15.141 1.00 43.31 H new ATOM 0 HA LEU A 19 11.592 -2.550 17.447 1.00 23.11 H new ATOM 0 HB2 LEU A 19 10.347 -4.973 17.373 1.00 41.32 H new ATOM 0 HB3 LEU A 19 12.019 -5.496 17.389 1.00 41.32 H new ATOM 0 HG LEU A 19 10.975 -5.411 19.635 1.00 72.04 H new ATOM 0 HD11 LEU A 19 12.830 -4.237 20.751 1.00 42.32 H new ATOM 0 HD12 LEU A 19 13.402 -5.235 19.393 1.00 42.32 H new ATOM 0 HD13 LEU A 19 13.268 -3.470 19.206 1.00 42.32 H new ATOM 0 HD21 LEU A 19 10.583 -3.222 20.696 1.00 43.54 H new ATOM 0 HD22 LEU A 19 10.931 -2.415 19.148 1.00 43.54 H new ATOM 0 HD23 LEU A 19 9.513 -3.479 19.297 1.00 43.54 H new ATOM 292 N ALA A 20 14.077 -2.961 17.319 1.00 21.14 N ATOM 293 CA ALA A 20 15.515 -2.969 17.078 1.00 75.33 C ATOM 294 C ALA A 20 16.292 -2.975 18.390 1.00 53.23 C ATOM 295 O ALA A 20 16.387 -1.954 19.071 1.00 44.34 O ATOM 296 CB ALA A 20 15.914 -1.770 16.230 1.00 21.44 C ATOM 0 H ALA A 20 13.797 -2.497 18.183 1.00 21.14 H new ATOM 0 HA ALA A 20 15.763 -3.882 16.536 1.00 75.33 H new ATOM 0 HB1 ALA A 20 16.990 -1.788 16.058 1.00 21.44 H new ATOM 0 HB2 ALA A 20 15.393 -1.811 15.274 1.00 21.44 H new ATOM 0 HB3 ALA A 20 15.645 -0.851 16.750 1.00 21.44 H new ATOM 302 N VAL A 21 16.845 -4.132 18.739 1.00 2.34 N ATOM 303 CA VAL A 21 17.615 -4.270 19.970 1.00 13.11 C ATOM 304 C VAL A 21 18.985 -3.614 19.838 1.00 14.14 C ATOM 305 O VAL A 21 19.653 -3.749 18.814 1.00 72.11 O ATOM 306 CB VAL A 21 17.801 -5.750 20.352 1.00 22.32 C ATOM 307 CG1 VAL A 21 18.739 -5.881 21.543 1.00 52.32 C ATOM 308 CG2 VAL A 21 16.457 -6.397 20.649 1.00 74.15 C ATOM 0 H VAL A 21 16.774 -4.987 18.187 1.00 2.34 H new ATOM 0 HA VAL A 21 17.050 -3.768 20.755 1.00 13.11 H new ATOM 0 HB VAL A 21 18.250 -6.271 19.507 1.00 22.32 H new ATOM 0 HG11 VAL A 21 18.858 -6.934 21.798 1.00 52.32 H new ATOM 0 HG12 VAL A 21 19.711 -5.457 21.289 1.00 52.32 H new ATOM 0 HG13 VAL A 21 18.321 -5.346 22.396 1.00 52.32 H new ATOM 0 HG21 VAL A 21 16.608 -7.443 20.917 1.00 74.15 H new ATOM 0 HG22 VAL A 21 15.977 -5.876 21.477 1.00 74.15 H new ATOM 0 HG23 VAL A 21 15.821 -6.337 19.766 1.00 74.15 H new ATOM 318 N ALA A 22 19.397 -2.903 20.883 1.00 61.12 N ATOM 319 CA ALA A 22 20.689 -2.228 20.885 1.00 12.11 C ATOM 320 C ALA A 22 21.581 -2.753 22.005 1.00 14.12 C ATOM 321 O ALA A 22 21.204 -3.672 22.732 1.00 31.13 O ATOM 322 CB ALA A 22 20.498 -0.724 21.020 1.00 23.53 C ATOM 0 H ALA A 22 18.855 -2.780 21.738 1.00 61.12 H new ATOM 0 HA ALA A 22 21.182 -2.437 19.936 1.00 12.11 H new ATOM 0 HB1 ALA A 22 21.471 -0.232 21.020 1.00 23.53 H new ATOM 0 HB2 ALA A 22 19.905 -0.356 20.182 1.00 23.53 H new ATOM 0 HB3 ALA A 22 19.981 -0.505 21.954 1.00 23.53 H new ATOM 328 N ASP A 23 22.764 -2.164 22.138 1.00 51.10 N ATOM 329 CA ASP A 23 23.710 -2.572 23.170 1.00 33.33 C ATOM 330 C ASP A 23 23.511 -1.756 24.443 1.00 14.43 C ATOM 331 O ASP A 23 23.912 -2.173 25.530 1.00 62.14 O ATOM 332 CB ASP A 23 25.146 -2.415 22.668 1.00 54.44 C ATOM 333 CG ASP A 23 26.099 -3.395 23.322 1.00 72.44 C ATOM 334 OD1 ASP A 23 26.160 -4.557 22.867 1.00 35.21 O ATOM 335 OD2 ASP A 23 26.785 -3.001 24.287 1.00 32.04 O ATOM 0 H ASP A 23 23.091 -1.402 21.544 1.00 51.10 H new ATOM 0 HA ASP A 23 23.527 -3.622 23.400 1.00 33.33 H new ATOM 0 HB2 ASP A 23 25.168 -2.558 21.588 1.00 54.44 H new ATOM 0 HB3 ASP A 23 25.486 -1.398 22.862 1.00 54.44 H new ATOM 340 N ASP A 24 22.890 -0.590 24.301 1.00 13.11 N ATOM 341 CA ASP A 24 22.637 0.286 25.440 1.00 63.15 C ATOM 342 C ASP A 24 21.140 0.495 25.643 1.00 31.41 C ATOM 343 O ASP A 24 20.721 1.412 26.347 1.00 12.22 O ATOM 344 CB ASP A 24 23.330 1.634 25.236 1.00 12.33 C ATOM 345 CG ASP A 24 24.691 1.692 25.901 1.00 0.13 C ATOM 346 OD1 ASP A 24 25.534 0.819 25.606 1.00 34.30 O ATOM 347 OD2 ASP A 24 24.914 2.611 26.716 1.00 10.34 O ATOM 0 H ASP A 24 22.552 -0.229 23.409 1.00 13.11 H new ATOM 0 HA ASP A 24 23.043 -0.191 26.332 1.00 63.15 H new ATOM 0 HB2 ASP A 24 23.442 1.824 24.168 1.00 12.33 H new ATOM 0 HB3 ASP A 24 22.699 2.428 25.636 1.00 12.33 H new ATOM 352 N GLY A 25 20.338 -0.364 25.020 1.00 14.51 N ATOM 353 CA GLY A 25 18.896 -0.255 25.144 1.00 32.25 C ATOM 354 C GLY A 25 18.166 -0.825 23.944 1.00 11.41 C ATOM 355 O GLY A 25 18.723 -1.623 23.191 1.00 42.03 O ATOM 0 H GLY A 25 20.661 -1.133 24.432 1.00 14.51 H new ATOM 0 HA2 GLY A 25 18.571 -0.777 26.044 1.00 32.25 H new ATOM 0 HA3 GLY A 25 18.623 0.793 25.267 1.00 32.25 H new ATOM 359 N VAL A 26 16.914 -0.415 23.766 1.00 40.14 N ATOM 360 CA VAL A 26 16.106 -0.890 22.649 1.00 42.34 C ATOM 361 C VAL A 26 15.499 0.275 21.875 1.00 42.30 C ATOM 362 O VAL A 26 15.275 1.351 22.428 1.00 42.10 O ATOM 363 CB VAL A 26 14.975 -1.818 23.129 1.00 54.22 C ATOM 364 CG1 VAL A 26 14.298 -2.492 21.945 1.00 24.31 C ATOM 365 CG2 VAL A 26 15.513 -2.852 24.106 1.00 11.22 C ATOM 0 H VAL A 26 16.437 0.245 24.381 1.00 40.14 H new ATOM 0 HA VAL A 26 16.772 -1.451 21.993 1.00 42.34 H new ATOM 0 HB VAL A 26 14.230 -1.215 23.648 1.00 54.22 H new ATOM 0 HG11 VAL A 26 13.502 -3.144 22.304 1.00 24.31 H new ATOM 0 HG12 VAL A 26 13.876 -1.733 21.286 1.00 24.31 H new ATOM 0 HG13 VAL A 26 15.030 -3.083 21.395 1.00 24.31 H new ATOM 0 HG21 VAL A 26 14.700 -3.499 24.435 1.00 11.22 H new ATOM 0 HG22 VAL A 26 16.279 -3.452 23.615 1.00 11.22 H new ATOM 0 HG23 VAL A 26 15.946 -2.346 24.969 1.00 11.22 H new ATOM 375 N ASN A 27 15.235 0.053 20.592 1.00 71.44 N ATOM 376 CA ASN A 27 14.653 1.085 19.741 1.00 64.53 C ATOM 377 C ASN A 27 13.485 0.528 18.932 1.00 2.42 C ATOM 378 O ASN A 27 13.640 -0.431 18.176 1.00 2.30 O ATOM 379 CB ASN A 27 15.715 1.655 18.798 1.00 12.41 C ATOM 380 CG ASN A 27 16.783 2.438 19.537 1.00 41.44 C ATOM 381 OD1 ASN A 27 17.787 1.878 19.976 1.00 30.43 O ATOM 382 ND2 ASN A 27 16.571 3.742 19.676 1.00 33.34 N ATOM 0 H ASN A 27 15.415 -0.832 20.118 1.00 71.44 H new ATOM 0 HA ASN A 27 14.280 1.883 20.383 1.00 64.53 H new ATOM 0 HB2 ASN A 27 16.182 0.840 18.246 1.00 12.41 H new ATOM 0 HB3 ASN A 27 15.236 2.303 18.064 1.00 12.41 H new ATOM 0 HD21 ASN A 27 17.255 4.321 20.163 1.00 33.34 H new ATOM 0 HD22 ASN A 27 15.724 4.164 19.296 1.00 33.34 H new ATOM 389 N VAL A 28 12.315 1.138 19.097 1.00 64.13 N ATOM 390 CA VAL A 28 11.121 0.705 18.381 1.00 12.54 C ATOM 391 C VAL A 28 10.480 1.867 17.629 1.00 23.51 C ATOM 392 O VAL A 28 10.203 2.917 18.208 1.00 43.21 O ATOM 393 CB VAL A 28 10.082 0.095 19.341 1.00 63.41 C ATOM 394 CG1 VAL A 28 9.649 1.117 20.380 1.00 2.04 C ATOM 395 CG2 VAL A 28 8.884 -0.429 18.565 1.00 74.34 C ATOM 0 H VAL A 28 12.169 1.933 19.720 1.00 64.13 H new ATOM 0 HA VAL A 28 11.438 -0.056 17.668 1.00 12.54 H new ATOM 0 HB VAL A 28 10.543 -0.743 19.863 1.00 63.41 H new ATOM 0 HG11 VAL A 28 8.915 0.667 21.049 1.00 2.04 H new ATOM 0 HG12 VAL A 28 10.516 1.439 20.957 1.00 2.04 H new ATOM 0 HG13 VAL A 28 9.205 1.978 19.880 1.00 2.04 H new ATOM 0 HG21 VAL A 28 8.160 -0.856 19.259 1.00 74.34 H new ATOM 0 HG22 VAL A 28 8.420 0.390 18.015 1.00 74.34 H new ATOM 0 HG23 VAL A 28 9.212 -1.197 17.864 1.00 74.34 H new ATOM 405 N ARG A 29 10.247 1.670 16.336 1.00 70.54 N ATOM 406 CA ARG A 29 9.639 2.701 15.503 1.00 21.42 C ATOM 407 C ARG A 29 8.450 2.142 14.727 1.00 32.14 C ATOM 408 O ARG A 29 8.552 1.101 14.078 1.00 25.11 O ATOM 409 CB ARG A 29 10.671 3.275 14.531 1.00 2.42 C ATOM 410 CG ARG A 29 10.131 4.403 13.666 1.00 25.23 C ATOM 411 CD ARG A 29 9.633 3.887 12.326 1.00 61.44 C ATOM 412 NE ARG A 29 10.706 3.802 11.339 1.00 62.44 N ATOM 413 CZ ARG A 29 11.272 4.863 10.775 1.00 50.11 C ATOM 414 NH1 ARG A 29 10.869 6.084 11.099 1.00 22.13 N ATOM 415 NH2 ARG A 29 12.243 4.704 9.885 1.00 43.51 N ATOM 0 H ARG A 29 10.470 0.806 15.842 1.00 70.54 H new ATOM 0 HA ARG A 29 9.283 3.497 16.156 1.00 21.42 H new ATOM 0 HB2 ARG A 29 11.527 3.641 15.098 1.00 2.42 H new ATOM 0 HB3 ARG A 29 11.034 2.475 13.886 1.00 2.42 H new ATOM 0 HG2 ARG A 29 9.317 4.906 14.189 1.00 25.23 H new ATOM 0 HG3 ARG A 29 10.913 5.145 13.504 1.00 25.23 H new ATOM 0 HD2 ARG A 29 9.185 2.902 12.460 1.00 61.44 H new ATOM 0 HD3 ARG A 29 8.849 4.545 11.953 1.00 61.44 H new ATOM 0 HE ARG A 29 11.039 2.877 11.068 1.00 62.44 H new ATOM 0 HH11 ARG A 29 10.123 6.210 11.783 1.00 22.13 H new ATOM 0 HH12 ARG A 29 11.305 6.897 10.664 1.00 22.13 H new ATOM 0 HH21 ARG A 29 12.556 3.766 9.633 1.00 43.51 H new ATOM 0 HH22 ARG A 29 12.677 5.519 9.452 1.00 43.51 H new ATOM 429 N PHE A 30 7.322 2.840 14.800 1.00 13.52 N ATOM 430 CA PHE A 30 6.112 2.414 14.106 1.00 22.23 C ATOM 431 C PHE A 30 5.650 3.478 13.115 1.00 32.31 C ATOM 432 O PHE A 30 5.427 4.631 13.485 1.00 61.33 O ATOM 433 CB PHE A 30 4.998 2.120 15.113 1.00 60.20 C ATOM 434 CG PHE A 30 5.294 2.619 16.498 1.00 5.41 C ATOM 435 CD1 PHE A 30 6.090 1.881 17.359 1.00 4.43 C ATOM 436 CD2 PHE A 30 4.778 3.827 16.939 1.00 53.13 C ATOM 437 CE1 PHE A 30 6.364 2.339 18.635 1.00 60.44 C ATOM 438 CE2 PHE A 30 5.048 4.290 18.213 1.00 62.42 C ATOM 439 CZ PHE A 30 5.843 3.545 19.061 1.00 24.45 C ATOM 0 H PHE A 30 7.220 3.704 15.333 1.00 13.52 H new ATOM 0 HA PHE A 30 6.342 1.503 13.553 1.00 22.23 H new ATOM 0 HB2 PHE A 30 4.072 2.576 14.762 1.00 60.20 H new ATOM 0 HB3 PHE A 30 4.829 1.044 15.152 1.00 60.20 H new ATOM 0 HD1 PHE A 30 6.501 0.938 17.030 1.00 4.43 H new ATOM 0 HD2 PHE A 30 4.157 4.414 16.279 1.00 53.13 H new ATOM 0 HE1 PHE A 30 6.985 1.754 19.298 1.00 60.44 H new ATOM 0 HE2 PHE A 30 4.638 5.233 18.544 1.00 62.42 H new ATOM 0 HZ PHE A 30 6.057 3.905 20.056 1.00 24.45 H new ATOM 449 N ARG A 31 5.508 3.082 11.854 1.00 22.34 N ATOM 450 CA ARG A 31 5.074 4.001 10.809 1.00 64.30 C ATOM 451 C ARG A 31 3.553 4.014 10.694 1.00 51.10 C ATOM 452 O ARG A 31 2.939 3.011 10.330 1.00 64.54 O ATOM 453 CB ARG A 31 5.695 3.609 9.467 1.00 54.05 C ATOM 454 CG ARG A 31 7.211 3.508 9.502 1.00 33.45 C ATOM 455 CD ARG A 31 7.836 4.050 8.227 1.00 53.22 C ATOM 456 NE ARG A 31 8.699 3.066 7.579 1.00 52.33 N ATOM 457 CZ ARG A 31 9.155 3.193 6.337 1.00 33.05 C ATOM 458 NH1 ARG A 31 8.832 4.256 5.614 1.00 11.44 N ATOM 459 NH2 ARG A 31 9.936 2.255 5.817 1.00 32.23 N ATOM 0 H ARG A 31 5.687 2.131 11.532 1.00 22.34 H new ATOM 0 HA ARG A 31 5.409 5.003 11.078 1.00 64.30 H new ATOM 0 HB2 ARG A 31 5.283 2.650 9.152 1.00 54.05 H new ATOM 0 HB3 ARG A 31 5.406 4.343 8.715 1.00 54.05 H new ATOM 0 HG2 ARG A 31 7.594 4.061 10.360 1.00 33.45 H new ATOM 0 HG3 ARG A 31 7.504 2.467 9.638 1.00 33.45 H new ATOM 0 HD2 ARG A 31 7.048 4.351 7.537 1.00 53.22 H new ATOM 0 HD3 ARG A 31 8.416 4.944 8.459 1.00 53.22 H new ATOM 0 HE ARG A 31 8.966 2.236 8.108 1.00 52.33 H new ATOM 0 HH11 ARG A 31 8.232 4.979 6.011 1.00 11.44 H new ATOM 0 HH12 ARG A 31 9.183 4.351 4.661 1.00 11.44 H new ATOM 0 HH21 ARG A 31 10.187 1.436 6.370 1.00 32.23 H new ATOM 0 HH22 ARG A 31 10.286 2.353 4.864 1.00 32.23 H new ATOM 473 N ILE A 32 2.951 5.157 11.007 1.00 22.54 N ATOM 474 CA ILE A 32 1.502 5.300 10.939 1.00 43.15 C ATOM 475 C ILE A 32 1.076 5.954 9.628 1.00 23.33 C ATOM 476 O ILE A 32 1.775 6.817 9.098 1.00 75.13 O ATOM 477 CB ILE A 32 0.963 6.135 12.115 1.00 52.11 C ATOM 478 CG1 ILE A 32 1.269 5.441 13.444 1.00 40.42 C ATOM 479 CG2 ILE A 32 -0.534 6.361 11.962 1.00 41.04 C ATOM 480 CD1 ILE A 32 1.835 6.371 14.494 1.00 12.14 C ATOM 0 H ILE A 32 3.444 5.997 11.310 1.00 22.54 H new ATOM 0 HA ILE A 32 1.082 4.296 10.995 1.00 43.15 H new ATOM 0 HB ILE A 32 1.460 7.105 12.110 1.00 52.11 H new ATOM 0 HG12 ILE A 32 0.355 4.987 13.827 1.00 40.42 H new ATOM 0 HG13 ILE A 32 1.977 4.631 13.267 1.00 40.42 H new ATOM 0 HG21 ILE A 32 -0.900 6.953 12.801 1.00 41.04 H new ATOM 0 HG22 ILE A 32 -0.728 6.893 11.031 1.00 41.04 H new ATOM 0 HG23 ILE A 32 -1.047 5.400 11.945 1.00 41.04 H new ATOM 0 HD11 ILE A 32 2.028 5.812 15.409 1.00 12.14 H new ATOM 0 HD12 ILE A 32 2.766 6.806 14.131 1.00 12.14 H new ATOM 0 HD13 ILE A 32 1.119 7.167 14.699 1.00 12.14 H new ATOM 492 N ALA A 33 -0.076 5.537 9.113 1.00 65.14 N ATOM 493 CA ALA A 33 -0.597 6.084 7.867 1.00 51.35 C ATOM 494 C ALA A 33 -0.921 7.567 8.011 1.00 12.45 C ATOM 495 O ALA A 33 -1.349 8.018 9.074 1.00 30.03 O ATOM 496 CB ALA A 33 -1.833 5.313 7.427 1.00 23.43 C ATOM 0 H ALA A 33 -0.666 4.822 9.540 1.00 65.14 H new ATOM 0 HA ALA A 33 0.174 5.979 7.104 1.00 51.35 H new ATOM 0 HB1 ALA A 33 -2.211 5.733 6.495 1.00 23.43 H new ATOM 0 HB2 ALA A 33 -1.573 4.266 7.274 1.00 23.43 H new ATOM 0 HB3 ALA A 33 -2.601 5.388 8.197 1.00 23.43 H new ATOM 502 N ASP A 34 -0.714 8.321 6.937 1.00 10.14 N ATOM 503 CA ASP A 34 -0.985 9.754 6.945 1.00 4.01 C ATOM 504 C ASP A 34 -2.444 10.030 7.292 1.00 75.53 C ATOM 505 O ASP A 34 -2.797 11.133 7.707 1.00 70.34 O ATOM 506 CB ASP A 34 -0.646 10.366 5.585 1.00 72.12 C ATOM 507 CG ASP A 34 -0.158 11.797 5.699 1.00 71.31 C ATOM 508 OD1 ASP A 34 -1.004 12.716 5.683 1.00 21.41 O ATOM 509 OD2 ASP A 34 1.070 11.997 5.805 1.00 53.52 O ATOM 0 H ASP A 34 -0.359 7.964 6.050 1.00 10.14 H new ATOM 0 HA ASP A 34 -0.357 10.213 7.708 1.00 4.01 H new ATOM 0 HB2 ASP A 34 0.120 9.762 5.099 1.00 72.12 H new ATOM 0 HB3 ASP A 34 -1.529 10.336 4.946 1.00 72.12 H new ATOM 514 N GLY A 35 -3.290 9.018 7.117 1.00 11.33 N ATOM 515 CA GLY A 35 -4.702 9.172 7.415 1.00 10.20 C ATOM 516 C GLY A 35 -5.034 8.816 8.850 1.00 31.14 C ATOM 517 O GLY A 35 -6.203 8.784 9.235 1.00 13.40 O ATOM 0 H GLY A 35 -3.022 8.095 6.774 1.00 11.33 H new ATOM 0 HA2 GLY A 35 -5.001 10.202 7.221 1.00 10.20 H new ATOM 0 HA3 GLY A 35 -5.283 8.540 6.743 1.00 10.20 H new ATOM 521 N TYR A 36 -4.004 8.545 9.644 1.00 11.13 N ATOM 522 CA TYR A 36 -4.193 8.185 11.045 1.00 65.24 C ATOM 523 C TYR A 36 -3.249 8.978 11.943 1.00 43.30 C ATOM 524 O TYR A 36 -2.285 9.583 11.471 1.00 74.31 O ATOM 525 CB TYR A 36 -3.963 6.686 11.243 1.00 61.44 C ATOM 526 CG TYR A 36 -5.084 5.825 10.706 1.00 54.20 C ATOM 527 CD1 TYR A 36 -6.358 5.887 11.258 1.00 73.33 C ATOM 528 CD2 TYR A 36 -4.870 4.950 9.648 1.00 14.13 C ATOM 529 CE1 TYR A 36 -7.386 5.102 10.771 1.00 10.03 C ATOM 530 CE2 TYR A 36 -5.892 4.163 9.155 1.00 74.25 C ATOM 531 CZ TYR A 36 -7.148 4.242 9.719 1.00 13.14 C ATOM 532 OH TYR A 36 -8.169 3.458 9.231 1.00 3.53 O ATOM 0 H TYR A 36 -3.030 8.568 9.342 1.00 11.13 H new ATOM 0 HA TYR A 36 -5.219 8.429 11.321 1.00 65.24 H new ATOM 0 HB2 TYR A 36 -3.032 6.402 10.753 1.00 61.44 H new ATOM 0 HB3 TYR A 36 -3.838 6.484 12.307 1.00 61.44 H new ATOM 0 HD1 TYR A 36 -6.548 6.560 12.081 1.00 73.33 H new ATOM 0 HD2 TYR A 36 -3.888 4.884 9.204 1.00 14.13 H new ATOM 0 HE1 TYR A 36 -8.370 5.162 11.212 1.00 10.03 H new ATOM 0 HE2 TYR A 36 -5.709 3.489 8.332 1.00 74.25 H new ATOM 0 HH TYR A 36 -7.867 2.993 8.423 1.00 3.53 H new ATOM 542 N TYR A 37 -3.532 8.971 13.241 1.00 73.14 N ATOM 543 CA TYR A 37 -2.711 9.691 14.207 1.00 70.14 C ATOM 544 C TYR A 37 -2.832 9.070 15.595 1.00 73.11 C ATOM 545 O TYR A 37 -3.935 8.834 16.087 1.00 13.33 O ATOM 546 CB TYR A 37 -3.119 11.164 14.257 1.00 15.13 C ATOM 547 CG TYR A 37 -4.543 11.382 14.717 1.00 53.21 C ATOM 548 CD1 TYR A 37 -5.594 11.390 13.807 1.00 1.25 C ATOM 549 CD2 TYR A 37 -4.838 11.581 16.060 1.00 50.41 C ATOM 550 CE1 TYR A 37 -6.896 11.590 14.223 1.00 74.25 C ATOM 551 CE2 TYR A 37 -6.138 11.780 16.484 1.00 5.31 C ATOM 552 CZ TYR A 37 -7.163 11.784 15.562 1.00 71.12 C ATOM 553 OH TYR A 37 -8.459 11.983 15.980 1.00 2.13 O ATOM 0 H TYR A 37 -4.324 8.474 13.648 1.00 73.14 H new ATOM 0 HA TYR A 37 -1.672 9.620 13.887 1.00 70.14 H new ATOM 0 HB2 TYR A 37 -2.444 11.697 14.927 1.00 15.13 H new ATOM 0 HB3 TYR A 37 -2.995 11.601 13.266 1.00 15.13 H new ATOM 0 HD1 TYR A 37 -5.389 11.237 12.758 1.00 1.25 H new ATOM 0 HD2 TYR A 37 -4.038 11.580 16.785 1.00 50.41 H new ATOM 0 HE1 TYR A 37 -7.701 11.594 13.503 1.00 74.25 H new ATOM 0 HE2 TYR A 37 -6.350 11.932 17.532 1.00 5.31 H new ATOM 0 HH TYR A 37 -8.474 12.102 16.953 1.00 2.13 H new ATOM 563 N MET A 38 -1.689 8.808 16.221 1.00 75.14 N ATOM 564 CA MET A 38 -1.667 8.216 17.553 1.00 4.12 C ATOM 565 C MET A 38 -1.133 9.210 18.580 1.00 21.42 C ATOM 566 O MET A 38 -0.091 9.832 18.373 1.00 61.12 O ATOM 567 CB MET A 38 -0.808 6.950 17.557 1.00 31.34 C ATOM 568 CG MET A 38 -1.614 5.670 17.710 1.00 23.14 C ATOM 569 SD MET A 38 -1.453 4.574 16.288 1.00 74.14 S ATOM 570 CE MET A 38 0.207 3.948 16.528 1.00 65.11 C ATOM 0 H MET A 38 -0.767 8.996 15.827 1.00 75.14 H new ATOM 0 HA MET A 38 -2.690 7.954 17.824 1.00 4.12 H new ATOM 0 HB2 MET A 38 -0.240 6.903 16.628 1.00 31.34 H new ATOM 0 HB3 MET A 38 -0.085 7.014 18.370 1.00 31.34 H new ATOM 0 HG2 MET A 38 -1.287 5.145 18.608 1.00 23.14 H new ATOM 0 HG3 MET A 38 -2.665 5.922 17.853 1.00 23.14 H new ATOM 0 HE1 MET A 38 0.828 4.226 15.676 1.00 65.11 H new ATOM 0 HE2 MET A 38 0.628 4.374 17.439 1.00 65.11 H new ATOM 0 HE3 MET A 38 0.177 2.862 16.615 1.00 65.11 H new ATOM 580 N TYR A 39 -1.853 9.354 19.687 1.00 30.40 N ATOM 581 CA TYR A 39 -1.453 10.274 20.745 1.00 61.21 C ATOM 582 C TYR A 39 -0.193 9.780 21.449 1.00 65.14 C ATOM 583 O TYR A 39 -0.163 8.673 21.986 1.00 44.21 O ATOM 584 CB TYR A 39 -2.585 10.440 21.760 1.00 51.41 C ATOM 585 CG TYR A 39 -3.941 10.651 21.125 1.00 11.52 C ATOM 586 CD1 TYR A 39 -4.333 11.908 20.680 1.00 71.14 C ATOM 587 CD2 TYR A 39 -4.831 9.595 20.972 1.00 4.31 C ATOM 588 CE1 TYR A 39 -5.571 12.106 20.100 1.00 73.13 C ATOM 589 CE2 TYR A 39 -6.070 9.784 20.392 1.00 30.41 C ATOM 590 CZ TYR A 39 -6.436 11.041 19.958 1.00 61.43 C ATOM 591 OH TYR A 39 -7.670 11.233 19.381 1.00 73.43 O ATOM 0 H TYR A 39 -2.717 8.845 19.875 1.00 30.40 H new ATOM 0 HA TYR A 39 -1.238 11.240 20.289 1.00 61.21 H new ATOM 0 HB2 TYR A 39 -2.624 9.555 22.396 1.00 51.41 H new ATOM 0 HB3 TYR A 39 -2.360 11.288 22.407 1.00 51.41 H new ATOM 0 HD1 TYR A 39 -3.658 12.744 20.790 1.00 71.14 H new ATOM 0 HD2 TYR A 39 -4.549 8.610 21.312 1.00 4.31 H new ATOM 0 HE1 TYR A 39 -5.860 13.089 19.760 1.00 73.13 H new ATOM 0 HE2 TYR A 39 -6.749 8.952 20.279 1.00 30.41 H new ATOM 0 HH TYR A 39 -8.155 10.382 19.356 1.00 73.43 H new ATOM 601 N GLN A 40 0.845 10.610 21.441 1.00 44.12 N ATOM 602 CA GLN A 40 2.109 10.259 22.078 1.00 31.51 C ATOM 603 C GLN A 40 1.882 9.775 23.507 1.00 61.25 C ATOM 604 O GLN A 40 2.592 8.896 23.995 1.00 72.25 O ATOM 605 CB GLN A 40 3.056 11.460 22.078 1.00 31.21 C ATOM 606 CG GLN A 40 4.504 11.093 22.360 1.00 60.13 C ATOM 607 CD GLN A 40 5.336 12.286 22.785 1.00 3.40 C ATOM 608 OE1 GLN A 40 4.881 13.133 23.554 1.00 54.31 O ATOM 609 NE2 GLN A 40 6.565 12.360 22.286 1.00 73.10 N ATOM 0 H GLN A 40 0.836 11.530 21.001 1.00 44.12 H new ATOM 0 HA GLN A 40 2.562 9.449 21.507 1.00 31.51 H new ATOM 0 HB2 GLN A 40 2.998 11.958 21.110 1.00 31.21 H new ATOM 0 HB3 GLN A 40 2.719 12.178 22.826 1.00 31.21 H new ATOM 0 HG2 GLN A 40 4.537 10.335 23.142 1.00 60.13 H new ATOM 0 HG3 GLN A 40 4.943 10.649 21.467 1.00 60.13 H new ATOM 0 HE21 GLN A 40 6.902 11.636 21.652 1.00 73.10 H new ATOM 0 HE22 GLN A 40 7.171 13.141 22.537 1.00 73.10 H new ATOM 618 N ALA A 41 0.889 10.355 24.172 1.00 54.02 N ATOM 619 CA ALA A 41 0.568 9.982 25.544 1.00 75.13 C ATOM 620 C ALA A 41 -0.040 8.585 25.605 1.00 72.43 C ATOM 621 O ALA A 41 0.158 7.851 26.574 1.00 44.43 O ATOM 622 CB ALA A 41 -0.381 11.000 26.159 1.00 34.42 C ATOM 0 H ALA A 41 0.293 11.085 23.783 1.00 54.02 H new ATOM 0 HA ALA A 41 1.495 9.972 26.118 1.00 75.13 H new ATOM 0 HB1 ALA A 41 -0.612 10.709 27.184 1.00 34.42 H new ATOM 0 HB2 ALA A 41 0.090 11.983 26.158 1.00 34.42 H new ATOM 0 HB3 ALA A 41 -1.301 11.038 25.576 1.00 34.42 H new ATOM 628 N LYS A 42 -0.783 8.221 24.564 1.00 4.53 N ATOM 629 CA LYS A 42 -1.420 6.912 24.498 1.00 23.43 C ATOM 630 C LYS A 42 -0.398 5.825 24.178 1.00 52.23 C ATOM 631 O LYS A 42 -0.588 4.660 24.527 1.00 61.44 O ATOM 632 CB LYS A 42 -2.527 6.913 23.442 1.00 31.01 C ATOM 633 CG LYS A 42 -3.891 7.294 23.991 1.00 31.44 C ATOM 634 CD LYS A 42 -3.858 8.651 24.674 1.00 33.44 C ATOM 635 CE LYS A 42 -3.743 8.512 26.185 1.00 63.34 C ATOM 636 NZ LYS A 42 -4.926 9.082 26.886 1.00 32.42 N ATOM 0 H LYS A 42 -0.958 8.816 23.754 1.00 4.53 H new ATOM 0 HA LYS A 42 -1.857 6.699 25.473 1.00 23.43 H new ATOM 0 HB2 LYS A 42 -2.258 7.608 22.646 1.00 31.01 H new ATOM 0 HB3 LYS A 42 -2.590 5.922 22.992 1.00 31.01 H new ATOM 0 HG2 LYS A 42 -4.619 7.312 23.180 1.00 31.44 H new ATOM 0 HG3 LYS A 42 -4.223 6.536 24.701 1.00 31.44 H new ATOM 0 HD2 LYS A 42 -3.015 9.230 24.296 1.00 33.44 H new ATOM 0 HD3 LYS A 42 -4.763 9.206 24.426 1.00 33.44 H new ATOM 0 HE2 LYS A 42 -3.639 7.459 26.446 1.00 63.34 H new ATOM 0 HE3 LYS A 42 -2.840 9.016 26.528 1.00 63.34 H new ATOM 0 HZ1 LYS A 42 -4.809 8.968 27.913 1.00 32.42 H new ATOM 0 HZ2 LYS A 42 -5.011 10.093 26.658 1.00 32.42 H new ATOM 0 HZ3 LYS A 42 -5.785 8.584 26.578 1.00 32.42 H new ATOM 650 N ILE A 43 0.684 6.215 23.513 1.00 5.03 N ATOM 651 CA ILE A 43 1.736 5.274 23.149 1.00 44.22 C ATOM 652 C ILE A 43 2.378 4.660 24.388 1.00 3.13 C ATOM 653 O ILE A 43 2.597 5.342 25.390 1.00 64.33 O ATOM 654 CB ILE A 43 2.829 5.952 22.301 1.00 0.11 C ATOM 655 CG1 ILE A 43 2.195 6.793 21.191 1.00 4.42 C ATOM 656 CG2 ILE A 43 3.766 4.908 21.712 1.00 4.34 C ATOM 657 CD1 ILE A 43 1.148 6.050 20.392 1.00 31.35 C ATOM 0 H ILE A 43 0.855 7.175 23.215 1.00 5.03 H new ATOM 0 HA ILE A 43 1.265 4.487 22.559 1.00 44.22 H new ATOM 0 HB ILE A 43 3.411 6.612 22.945 1.00 0.11 H new ATOM 0 HG12 ILE A 43 1.741 7.680 21.633 1.00 4.42 H new ATOM 0 HG13 ILE A 43 2.978 7.138 20.516 1.00 4.42 H new ATOM 0 HG21 ILE A 43 4.533 5.402 21.116 1.00 4.34 H new ATOM 0 HG22 ILE A 43 4.239 4.347 22.518 1.00 4.34 H new ATOM 0 HG23 ILE A 43 3.199 4.225 21.080 1.00 4.34 H new ATOM 0 HD11 ILE A 43 0.742 6.708 19.623 1.00 31.35 H new ATOM 0 HD12 ILE A 43 1.601 5.178 19.921 1.00 31.35 H new ATOM 0 HD13 ILE A 43 0.345 5.728 21.055 1.00 31.35 H new ATOM 669 N VAL A 44 2.680 3.368 24.313 1.00 34.52 N ATOM 670 CA VAL A 44 3.300 2.661 25.428 1.00 53.12 C ATOM 671 C VAL A 44 4.357 1.679 24.936 1.00 2.30 C ATOM 672 O VAL A 44 4.176 1.014 23.917 1.00 12.11 O ATOM 673 CB VAL A 44 2.253 1.897 26.260 1.00 11.01 C ATOM 674 CG1 VAL A 44 2.870 1.383 27.552 1.00 74.41 C ATOM 675 CG2 VAL A 44 1.052 2.785 26.549 1.00 32.54 C ATOM 0 H VAL A 44 2.505 2.789 23.492 1.00 34.52 H new ATOM 0 HA VAL A 44 3.773 3.415 26.057 1.00 53.12 H new ATOM 0 HB VAL A 44 1.910 1.038 25.682 1.00 11.01 H new ATOM 0 HG11 VAL A 44 2.116 0.846 28.127 1.00 74.41 H new ATOM 0 HG12 VAL A 44 3.695 0.710 27.319 1.00 74.41 H new ATOM 0 HG13 VAL A 44 3.242 2.224 28.137 1.00 74.41 H new ATOM 0 HG21 VAL A 44 0.322 2.229 27.138 1.00 32.54 H new ATOM 0 HG22 VAL A 44 1.375 3.664 27.107 1.00 32.54 H new ATOM 0 HG23 VAL A 44 0.597 3.099 25.610 1.00 32.54 H new ATOM 685 N GLY A 45 5.464 1.593 25.668 1.00 13.44 N ATOM 686 CA GLY A 45 6.535 0.690 25.291 1.00 33.32 C ATOM 687 C GLY A 45 7.504 0.433 26.428 1.00 42.21 C ATOM 688 O GLY A 45 8.175 1.351 26.901 1.00 22.41 O ATOM 0 H GLY A 45 5.638 2.133 26.516 1.00 13.44 H new ATOM 0 HA2 GLY A 45 6.108 -0.257 24.960 1.00 33.32 H new ATOM 0 HA3 GLY A 45 7.077 1.108 24.443 1.00 33.32 H new ATOM 692 N LYS A 46 7.578 -0.818 26.870 1.00 51.25 N ATOM 693 CA LYS A 46 8.472 -1.194 27.958 1.00 12.13 C ATOM 694 C LYS A 46 9.142 -2.534 27.674 1.00 74.51 C ATOM 695 O LYS A 46 8.498 -3.477 27.211 1.00 51.43 O ATOM 696 CB LYS A 46 7.699 -1.267 29.277 1.00 24.45 C ATOM 697 CG LYS A 46 8.515 -1.828 30.429 1.00 21.34 C ATOM 698 CD LYS A 46 7.984 -3.177 30.884 1.00 32.31 C ATOM 699 CE LYS A 46 8.645 -4.320 30.129 1.00 61.00 C ATOM 700 NZ LYS A 46 8.666 -5.575 30.930 1.00 62.31 N ATOM 0 H LYS A 46 7.029 -1.589 26.491 1.00 51.25 H new ATOM 0 HA LYS A 46 9.247 -0.431 28.039 1.00 12.13 H new ATOM 0 HB2 LYS A 46 7.352 -0.268 29.541 1.00 24.45 H new ATOM 0 HB3 LYS A 46 6.813 -1.885 29.135 1.00 24.45 H new ATOM 0 HG2 LYS A 46 9.556 -1.930 30.123 1.00 21.34 H new ATOM 0 HG3 LYS A 46 8.496 -1.128 31.264 1.00 21.34 H new ATOM 0 HD2 LYS A 46 8.159 -3.296 31.953 1.00 32.31 H new ATOM 0 HD3 LYS A 46 6.905 -3.215 30.732 1.00 32.31 H new ATOM 0 HE2 LYS A 46 8.112 -4.494 29.195 1.00 61.00 H new ATOM 0 HE3 LYS A 46 9.665 -4.040 29.866 1.00 61.00 H new ATOM 0 HZ1 LYS A 46 9.169 -6.316 30.401 1.00 62.31 H new ATOM 0 HZ2 LYS A 46 9.153 -5.403 31.833 1.00 62.31 H new ATOM 0 HZ3 LYS A 46 7.691 -5.884 31.116 1.00 62.31 H new ATOM 714 N THR A 47 10.439 -2.615 27.955 1.00 15.45 N ATOM 715 CA THR A 47 11.195 -3.840 27.730 1.00 3.43 C ATOM 716 C THR A 47 12.178 -4.096 28.867 1.00 10.42 C ATOM 717 O THR A 47 13.034 -3.262 29.160 1.00 15.41 O ATOM 718 CB THR A 47 11.970 -3.785 26.400 1.00 52.00 C ATOM 719 OG1 THR A 47 12.715 -4.994 26.217 1.00 75.23 O ATOM 720 CG2 THR A 47 12.914 -2.593 26.372 1.00 1.41 C ATOM 0 H THR A 47 10.988 -1.846 28.339 1.00 15.45 H new ATOM 0 HA THR A 47 10.472 -4.655 27.688 1.00 3.43 H new ATOM 0 HB THR A 47 11.249 -3.676 25.590 1.00 52.00 H new ATOM 0 HG1 THR A 47 13.528 -4.963 26.763 1.00 75.23 H new ATOM 0 HG21 THR A 47 13.450 -2.576 25.423 1.00 1.41 H new ATOM 0 HG22 THR A 47 12.341 -1.672 26.482 1.00 1.41 H new ATOM 0 HG23 THR A 47 13.629 -2.676 27.191 1.00 1.41 H new ATOM 728 N ASN A 48 12.050 -5.255 29.504 1.00 14.13 N ATOM 729 CA ASN A 48 12.928 -5.621 30.610 1.00 55.30 C ATOM 730 C ASN A 48 12.618 -7.030 31.107 1.00 1.52 C ATOM 731 O ASN A 48 11.520 -7.553 30.920 1.00 34.24 O ATOM 732 CB ASN A 48 12.781 -4.619 31.757 1.00 23.24 C ATOM 733 CG ASN A 48 11.385 -4.619 32.350 1.00 4.30 C ATOM 734 OD1 ASN A 48 10.847 -5.669 32.701 1.00 65.14 O ATOM 735 ND2 ASN A 48 10.792 -3.436 32.464 1.00 32.43 N ATOM 0 H ASN A 48 11.347 -5.957 29.274 1.00 14.13 H new ATOM 0 HA ASN A 48 13.956 -5.601 30.248 1.00 55.30 H new ATOM 0 HB2 ASN A 48 13.504 -4.856 32.537 1.00 23.24 H new ATOM 0 HB3 ASN A 48 13.019 -3.619 31.395 1.00 23.24 H new ATOM 0 HD21 ASN A 48 9.852 -3.372 32.856 1.00 32.43 H new ATOM 0 HD22 ASN A 48 11.276 -2.591 32.160 1.00 32.43 H new ATOM 742 N PRO A 49 13.609 -7.659 31.756 1.00 11.35 N ATOM 743 CA PRO A 49 13.466 -9.015 32.295 1.00 4.41 C ATOM 744 C PRO A 49 12.519 -9.068 33.488 1.00 15.23 C ATOM 745 O PRO A 49 12.063 -10.140 33.884 1.00 71.43 O ATOM 746 CB PRO A 49 14.890 -9.376 32.726 1.00 31.34 C ATOM 747 CG PRO A 49 15.550 -8.067 32.989 1.00 22.02 C ATOM 748 CD PRO A 49 14.944 -7.095 32.015 1.00 2.33 C ATOM 0 HA PRO A 49 13.040 -9.702 31.564 1.00 4.41 H new ATOM 0 HB2 PRO A 49 14.887 -10.004 33.617 1.00 31.34 H new ATOM 0 HB3 PRO A 49 15.411 -9.932 31.946 1.00 31.34 H new ATOM 0 HG2 PRO A 49 15.383 -7.745 34.017 1.00 22.02 H new ATOM 0 HG3 PRO A 49 16.629 -8.139 32.849 1.00 22.02 H new ATOM 0 HD2 PRO A 49 14.881 -6.091 32.435 1.00 2.33 H new ATOM 0 HD3 PRO A 49 15.533 -7.022 31.101 1.00 2.33 H new ATOM 756 N ALA A 50 12.225 -7.903 34.058 1.00 63.34 N ATOM 757 CA ALA A 50 11.329 -7.818 35.204 1.00 4.51 C ATOM 758 C ALA A 50 10.821 -6.393 35.398 1.00 32.12 C ATOM 759 O ALA A 50 9.624 -6.129 35.277 1.00 24.15 O ATOM 760 CB ALA A 50 12.034 -8.304 36.462 1.00 74.51 C ATOM 0 H ALA A 50 12.595 -7.006 33.744 1.00 63.34 H new ATOM 0 HA ALA A 50 10.470 -8.460 35.011 1.00 4.51 H new ATOM 0 HB1 ALA A 50 11.353 -8.235 37.310 1.00 74.51 H new ATOM 0 HB2 ALA A 50 12.343 -9.341 36.328 1.00 74.51 H new ATOM 0 HB3 ALA A 50 12.911 -7.685 36.650 1.00 74.51 H new ATOM 766 N ASP A 51 11.736 -5.479 35.700 1.00 64.11 N ATOM 767 CA ASP A 51 11.380 -4.081 35.910 1.00 3.35 C ATOM 768 C ASP A 51 12.610 -3.256 36.277 1.00 44.14 C ATOM 769 O ASP A 51 12.570 -2.433 37.193 1.00 75.54 O ATOM 770 CB ASP A 51 10.325 -3.961 37.011 1.00 72.11 C ATOM 771 CG ASP A 51 10.576 -4.918 38.160 1.00 14.41 C ATOM 772 OD1 ASP A 51 11.720 -4.960 38.659 1.00 42.45 O ATOM 773 OD2 ASP A 51 9.627 -5.623 38.562 1.00 62.43 O ATOM 0 H ASP A 51 12.730 -5.681 35.805 1.00 64.11 H new ATOM 0 HA ASP A 51 10.968 -3.693 34.978 1.00 3.35 H new ATOM 0 HB2 ASP A 51 10.313 -2.939 37.389 1.00 72.11 H new ATOM 0 HB3 ASP A 51 9.339 -4.156 36.588 1.00 72.11 H new ATOM 778 N LEU A 52 13.703 -3.482 35.556 1.00 4.13 N ATOM 779 CA LEU A 52 14.947 -2.760 35.806 1.00 74.44 C ATOM 780 C LEU A 52 15.131 -1.630 34.799 1.00 43.43 C ATOM 781 O LEU A 52 15.790 -0.629 35.086 1.00 21.31 O ATOM 782 CB LEU A 52 16.137 -3.718 35.738 1.00 25.21 C ATOM 783 CG LEU A 52 16.437 -4.321 34.365 1.00 2.21 C ATOM 784 CD1 LEU A 52 17.345 -3.400 33.565 1.00 63.12 C ATOM 785 CD2 LEU A 52 17.068 -5.698 34.513 1.00 13.22 C ATOM 0 H LEU A 52 13.754 -4.159 34.794 1.00 4.13 H new ATOM 0 HA LEU A 52 14.894 -2.327 36.805 1.00 74.44 H new ATOM 0 HB2 LEU A 52 17.025 -3.187 36.081 1.00 25.21 H new ATOM 0 HB3 LEU A 52 15.962 -4.533 36.440 1.00 25.21 H new ATOM 0 HG LEU A 52 15.497 -4.431 33.824 1.00 2.21 H new ATOM 0 HD11 LEU A 52 17.548 -3.845 32.591 1.00 63.12 H new ATOM 0 HD12 LEU A 52 16.856 -2.436 33.428 1.00 63.12 H new ATOM 0 HD13 LEU A 52 18.283 -3.258 34.101 1.00 63.12 H new ATOM 0 HD21 LEU A 52 17.274 -6.112 33.526 1.00 13.22 H new ATOM 0 HD22 LEU A 52 17.999 -5.613 35.073 1.00 13.22 H new ATOM 0 HD23 LEU A 52 16.383 -6.357 35.046 1.00 13.22 H new ATOM 797 N LEU A 53 14.544 -1.794 33.618 1.00 0.25 N ATOM 798 CA LEU A 53 14.641 -0.786 32.569 1.00 45.44 C ATOM 799 C LEU A 53 14.278 0.596 33.104 1.00 21.55 C ATOM 800 O LEU A 53 13.389 0.733 33.943 1.00 35.10 O ATOM 801 CB LEU A 53 13.725 -1.149 31.399 1.00 40.31 C ATOM 802 CG LEU A 53 13.594 -0.096 30.297 1.00 34.34 C ATOM 803 CD1 LEU A 53 14.295 -0.559 29.030 1.00 22.42 C ATOM 804 CD2 LEU A 53 12.128 0.204 30.019 1.00 70.34 C ATOM 0 H LEU A 53 13.996 -2.616 33.364 1.00 0.25 H new ATOM 0 HA LEU A 53 15.673 -0.760 32.220 1.00 45.44 H new ATOM 0 HB2 LEU A 53 14.091 -2.072 30.950 1.00 40.31 H new ATOM 0 HB3 LEU A 53 12.731 -1.359 31.794 1.00 40.31 H new ATOM 0 HG LEU A 53 14.074 0.821 30.638 1.00 34.34 H new ATOM 0 HD11 LEU A 53 14.191 0.203 28.257 1.00 22.42 H new ATOM 0 HD12 LEU A 53 15.352 -0.723 29.238 1.00 22.42 H new ATOM 0 HD13 LEU A 53 13.845 -1.490 28.685 1.00 22.42 H new ATOM 0 HD21 LEU A 53 12.053 0.955 29.233 1.00 70.34 H new ATOM 0 HD22 LEU A 53 11.624 -0.708 29.699 1.00 70.34 H new ATOM 0 HD23 LEU A 53 11.655 0.580 30.926 1.00 70.34 H new ATOM 816 N GLY A 54 14.972 1.617 32.612 1.00 1.31 N ATOM 817 CA GLY A 54 14.706 2.975 33.051 1.00 25.34 C ATOM 818 C GLY A 54 13.334 3.462 32.631 1.00 20.02 C ATOM 819 O GLY A 54 12.321 3.038 33.187 1.00 24.41 O ATOM 0 H GLY A 54 15.714 1.529 31.917 1.00 1.31 H new ATOM 0 HA2 GLY A 54 14.789 3.025 34.137 1.00 25.34 H new ATOM 0 HA3 GLY A 54 15.466 3.641 32.642 1.00 25.34 H new ATOM 823 N GLN A 55 13.301 4.356 31.649 1.00 55.44 N ATOM 824 CA GLN A 55 12.042 4.903 31.157 1.00 55.33 C ATOM 825 C GLN A 55 12.068 5.050 29.639 1.00 73.41 C ATOM 826 O GLN A 55 13.127 5.133 29.017 1.00 20.10 O ATOM 827 CB GLN A 55 11.761 6.259 31.807 1.00 45.20 C ATOM 828 CG GLN A 55 12.987 7.153 31.902 1.00 4.03 C ATOM 829 CD GLN A 55 12.680 8.501 32.524 1.00 20.13 C ATOM 830 OE1 GLN A 55 11.823 8.612 33.401 1.00 32.12 O ATOM 831 NE2 GLN A 55 13.380 9.535 32.073 1.00 41.02 N ATOM 0 H GLN A 55 14.131 4.717 31.178 1.00 55.44 H new ATOM 0 HA GLN A 55 11.245 4.208 31.423 1.00 55.33 H new ATOM 0 HB2 GLN A 55 10.989 6.774 31.235 1.00 45.20 H new ATOM 0 HB3 GLN A 55 11.361 6.097 32.808 1.00 45.20 H new ATOM 0 HG2 GLN A 55 13.753 6.651 32.493 1.00 4.03 H new ATOM 0 HG3 GLN A 55 13.401 7.303 30.905 1.00 4.03 H new ATOM 0 HE21 GLN A 55 14.081 9.398 31.345 1.00 41.02 H new ATOM 0 HE22 GLN A 55 13.217 10.467 32.455 1.00 41.02 H new ATOM 840 N PRO A 56 10.875 5.082 29.026 1.00 31.53 N ATOM 841 CA PRO A 56 10.734 5.218 27.574 1.00 44.14 C ATOM 842 C PRO A 56 11.135 6.604 27.080 1.00 15.43 C ATOM 843 O PRO A 56 10.943 7.601 27.777 1.00 32.21 O ATOM 844 CB PRO A 56 9.241 4.977 27.337 1.00 24.23 C ATOM 845 CG PRO A 56 8.589 5.347 28.625 1.00 44.45 C ATOM 846 CD PRO A 56 9.571 4.987 29.705 1.00 44.31 C ATOM 0 HA PRO A 56 11.382 4.526 27.036 1.00 44.14 H new ATOM 0 HB2 PRO A 56 8.867 5.587 26.514 1.00 24.23 H new ATOM 0 HB3 PRO A 56 9.044 3.937 27.078 1.00 24.23 H new ATOM 0 HG2 PRO A 56 8.353 6.411 28.651 1.00 44.45 H new ATOM 0 HG3 PRO A 56 7.650 4.809 28.756 1.00 44.45 H new ATOM 0 HD2 PRO A 56 9.507 5.672 30.551 1.00 44.31 H new ATOM 0 HD3 PRO A 56 9.392 3.984 30.093 1.00 44.31 H new ATOM 854 N SER A 57 11.691 6.661 25.874 1.00 31.45 N ATOM 855 CA SER A 57 12.121 7.925 25.289 1.00 2.14 C ATOM 856 C SER A 57 11.487 8.133 23.917 1.00 30.44 C ATOM 857 O SER A 57 12.007 7.666 22.903 1.00 34.05 O ATOM 858 CB SER A 57 13.646 7.963 25.170 1.00 50.40 C ATOM 859 OG SER A 57 14.051 8.736 24.053 1.00 72.52 O ATOM 0 H SER A 57 11.854 5.846 25.283 1.00 31.45 H new ATOM 0 HA SER A 57 11.794 8.731 25.946 1.00 2.14 H new ATOM 0 HB2 SER A 57 14.075 8.381 26.081 1.00 50.40 H new ATOM 0 HB3 SER A 57 14.032 6.948 25.073 1.00 50.40 H new ATOM 0 HG SER A 57 13.713 8.324 23.230 1.00 72.52 H new ATOM 865 N PHE A 58 10.360 8.836 23.894 1.00 51.30 N ATOM 866 CA PHE A 58 9.653 9.106 22.647 1.00 34.35 C ATOM 867 C PHE A 58 10.499 9.971 21.718 1.00 33.11 C ATOM 868 O PHE A 58 11.359 10.727 22.169 1.00 64.23 O ATOM 869 CB PHE A 58 8.318 9.798 22.933 1.00 62.11 C ATOM 870 CG PHE A 58 7.510 9.124 24.005 1.00 63.44 C ATOM 871 CD1 PHE A 58 7.548 7.747 24.156 1.00 73.22 C ATOM 872 CD2 PHE A 58 6.714 9.866 24.861 1.00 11.50 C ATOM 873 CE1 PHE A 58 6.805 7.124 25.141 1.00 75.13 C ATOM 874 CE2 PHE A 58 5.969 9.249 25.848 1.00 12.11 C ATOM 875 CZ PHE A 58 6.015 7.876 25.989 1.00 41.04 C ATOM 0 H PHE A 58 9.916 9.229 24.724 1.00 51.30 H new ATOM 0 HA PHE A 58 9.462 8.153 22.153 1.00 34.35 H new ATOM 0 HB2 PHE A 58 8.509 10.830 23.228 1.00 62.11 H new ATOM 0 HB3 PHE A 58 7.732 9.832 22.015 1.00 62.11 H new ATOM 0 HD1 PHE A 58 8.165 7.154 23.497 1.00 73.22 H new ATOM 0 HD2 PHE A 58 6.675 10.940 24.756 1.00 11.50 H new ATOM 0 HE1 PHE A 58 6.842 6.050 25.248 1.00 75.13 H new ATOM 0 HE2 PHE A 58 5.352 9.840 26.508 1.00 12.11 H new ATOM 0 HZ PHE A 58 5.435 7.391 26.760 1.00 41.04 H new ATOM 885 N SER A 59 10.248 9.853 20.418 1.00 15.32 N ATOM 886 CA SER A 59 10.988 10.621 19.424 1.00 63.10 C ATOM 887 C SER A 59 10.440 12.041 19.315 1.00 63.52 C ATOM 888 O SER A 59 10.927 12.848 18.523 1.00 72.35 O ATOM 889 CB SER A 59 10.920 9.930 18.061 1.00 65.32 C ATOM 890 OG SER A 59 11.947 10.394 17.202 1.00 44.02 O ATOM 0 H SER A 59 9.538 9.233 20.029 1.00 15.32 H new ATOM 0 HA SER A 59 12.028 10.676 19.744 1.00 63.10 H new ATOM 0 HB2 SER A 59 11.010 8.852 18.192 1.00 65.32 H new ATOM 0 HB3 SER A 59 9.948 10.115 17.604 1.00 65.32 H new ATOM 0 HG SER A 59 12.027 11.367 17.284 1.00 44.02 H new ATOM 896 N LYS A 60 9.424 12.339 20.117 1.00 73.33 N ATOM 897 CA LYS A 60 8.808 13.660 20.113 1.00 0.44 C ATOM 898 C LYS A 60 8.091 13.924 18.793 1.00 65.52 C ATOM 899 O LYS A 60 8.680 13.797 17.720 1.00 22.20 O ATOM 900 CB LYS A 60 9.866 14.739 20.355 1.00 2.14 C ATOM 901 CG LYS A 60 9.605 15.581 21.592 1.00 32.25 C ATOM 902 CD LYS A 60 8.365 16.444 21.428 1.00 61.01 C ATOM 903 CE LYS A 60 7.470 16.374 22.656 1.00 61.23 C ATOM 904 NZ LYS A 60 8.055 17.109 23.811 1.00 13.30 N ATOM 0 H LYS A 60 9.009 11.683 20.779 1.00 73.33 H new ATOM 0 HA LYS A 60 8.073 13.692 20.917 1.00 0.44 H new ATOM 0 HB2 LYS A 60 10.842 14.264 20.449 1.00 2.14 H new ATOM 0 HB3 LYS A 60 9.912 15.393 19.484 1.00 2.14 H new ATOM 0 HG2 LYS A 60 9.484 14.930 22.458 1.00 32.25 H new ATOM 0 HG3 LYS A 60 10.468 16.217 21.789 1.00 32.25 H new ATOM 0 HD2 LYS A 60 8.661 17.478 21.251 1.00 61.01 H new ATOM 0 HD3 LYS A 60 7.807 16.117 20.551 1.00 61.01 H new ATOM 0 HE2 LYS A 60 6.492 16.792 22.417 1.00 61.23 H new ATOM 0 HE3 LYS A 60 7.312 15.331 22.931 1.00 61.23 H new ATOM 0 HZ1 LYS A 60 7.415 17.038 24.628 1.00 13.30 H new ATOM 0 HZ2 LYS A 60 8.977 16.694 24.056 1.00 13.30 H new ATOM 0 HZ3 LYS A 60 8.182 18.110 23.557 1.00 13.30 H new ATOM 918 N GLY A 61 6.817 14.292 18.879 1.00 12.02 N ATOM 919 CA GLY A 61 6.042 14.568 17.684 1.00 52.52 C ATOM 920 C GLY A 61 5.558 16.004 17.625 1.00 23.13 C ATOM 921 O GLY A 61 6.339 16.936 17.812 1.00 45.24 O ATOM 0 H GLY A 61 6.307 14.404 19.755 1.00 12.02 H new ATOM 0 HA2 GLY A 61 6.649 14.356 16.804 1.00 52.52 H new ATOM 0 HA3 GLY A 61 5.184 13.897 17.648 1.00 52.52 H new ATOM 925 N GLU A 62 4.267 16.182 17.364 1.00 31.33 N ATOM 926 CA GLU A 62 3.682 17.515 17.279 1.00 31.43 C ATOM 927 C GLU A 62 2.519 17.662 18.257 1.00 65.01 C ATOM 928 O GLU A 62 1.674 16.775 18.369 1.00 53.32 O ATOM 929 CB GLU A 62 3.202 17.795 15.854 1.00 44.43 C ATOM 930 CG GLU A 62 4.271 18.403 14.961 1.00 41.03 C ATOM 931 CD GLU A 62 3.689 19.104 13.748 1.00 21.24 C ATOM 932 OE1 GLU A 62 3.154 18.407 12.861 1.00 31.51 O ATOM 933 OE2 GLU A 62 3.769 20.348 13.687 1.00 52.34 O ATOM 0 H GLU A 62 3.607 15.420 17.208 1.00 31.33 H new ATOM 0 HA GLU A 62 4.452 18.240 17.545 1.00 31.43 H new ATOM 0 HB2 GLU A 62 2.854 16.864 15.407 1.00 44.43 H new ATOM 0 HB3 GLU A 62 2.347 18.469 15.893 1.00 44.43 H new ATOM 0 HG2 GLU A 62 4.860 19.115 15.539 1.00 41.03 H new ATOM 0 HG3 GLU A 62 4.952 17.619 14.631 1.00 41.03 H new ATOM 940 N GLU A 63 2.486 18.788 18.962 1.00 3.24 N ATOM 941 CA GLU A 63 1.429 19.051 19.932 1.00 71.24 C ATOM 942 C GLU A 63 0.155 19.519 19.234 1.00 60.54 C ATOM 943 O GLU A 63 0.173 20.477 18.460 1.00 34.45 O ATOM 944 CB GLU A 63 1.885 20.104 20.944 1.00 34.52 C ATOM 945 CG GLU A 63 1.850 19.619 22.384 1.00 71.53 C ATOM 946 CD GLU A 63 2.117 20.730 23.380 1.00 23.33 C ATOM 947 OE1 GLU A 63 3.251 21.254 23.393 1.00 54.41 O ATOM 948 OE2 GLU A 63 1.194 21.074 24.147 1.00 3.33 O ATOM 0 H GLU A 63 3.178 19.533 18.880 1.00 3.24 H new ATOM 0 HA GLU A 63 1.214 18.121 20.458 1.00 71.24 H new ATOM 0 HB2 GLU A 63 2.900 20.416 20.699 1.00 34.52 H new ATOM 0 HB3 GLU A 63 1.250 20.985 20.850 1.00 34.52 H new ATOM 0 HG2 GLU A 63 0.875 19.177 22.591 1.00 71.53 H new ATOM 0 HG3 GLU A 63 2.592 18.831 22.516 1.00 71.53 H new ATOM 955 N LYS A 64 -0.950 18.835 19.511 1.00 21.15 N ATOM 956 CA LYS A 64 -2.234 19.179 18.912 1.00 21.43 C ATOM 957 C LYS A 64 -3.324 19.270 19.976 1.00 64.43 C ATOM 958 O LYS A 64 -3.277 18.568 20.986 1.00 52.24 O ATOM 959 CB LYS A 64 -2.622 18.140 17.857 1.00 2.30 C ATOM 960 CG LYS A 64 -3.875 18.502 17.080 1.00 54.34 C ATOM 961 CD LYS A 64 -5.087 17.740 17.589 1.00 12.43 C ATOM 962 CE LYS A 64 -5.389 16.528 16.721 1.00 12.43 C ATOM 963 NZ LYS A 64 -6.320 16.862 15.607 1.00 24.15 N ATOM 0 H LYS A 64 -0.982 18.038 20.147 1.00 21.15 H new ATOM 0 HA LYS A 64 -2.135 20.154 18.434 1.00 21.43 H new ATOM 0 HB2 LYS A 64 -1.794 18.017 17.159 1.00 2.30 H new ATOM 0 HB3 LYS A 64 -2.773 17.177 18.345 1.00 2.30 H new ATOM 0 HG2 LYS A 64 -4.058 19.574 17.161 1.00 54.34 H new ATOM 0 HG3 LYS A 64 -3.724 18.283 16.023 1.00 54.34 H new ATOM 0 HD2 LYS A 64 -4.911 17.419 18.616 1.00 12.43 H new ATOM 0 HD3 LYS A 64 -5.953 18.402 17.606 1.00 12.43 H new ATOM 0 HE2 LYS A 64 -4.459 16.134 16.311 1.00 12.43 H new ATOM 0 HE3 LYS A 64 -5.826 15.741 17.336 1.00 12.43 H new ATOM 0 HZ1 LYS A 64 -6.501 16.010 15.039 1.00 24.15 H new ATOM 0 HZ2 LYS A 64 -7.217 17.214 15.998 1.00 24.15 H new ATOM 0 HZ3 LYS A 64 -5.893 17.595 15.006 1.00 24.15 H new ATOM 977 N GLU A 65 -4.303 20.137 19.740 1.00 11.13 N ATOM 978 CA GLU A 65 -5.404 20.318 20.679 1.00 73.01 C ATOM 979 C GLU A 65 -6.721 19.845 20.070 1.00 54.30 C ATOM 980 O GLU A 65 -7.062 20.207 18.943 1.00 23.33 O ATOM 981 CB GLU A 65 -5.518 21.788 21.089 1.00 22.31 C ATOM 982 CG GLU A 65 -6.670 22.067 22.039 1.00 0.15 C ATOM 983 CD GLU A 65 -6.960 23.548 22.185 1.00 52.30 C ATOM 984 OE1 GLU A 65 -6.523 24.326 21.311 1.00 3.45 O ATOM 985 OE2 GLU A 65 -7.624 23.929 23.171 1.00 0.35 O ATOM 0 H GLU A 65 -4.357 20.724 18.908 1.00 11.13 H new ATOM 0 HA GLU A 65 -5.196 19.717 21.564 1.00 73.01 H new ATOM 0 HB2 GLU A 65 -4.586 22.098 21.561 1.00 22.31 H new ATOM 0 HB3 GLU A 65 -5.640 22.398 20.194 1.00 22.31 H new ATOM 0 HG2 GLU A 65 -7.565 21.559 21.678 1.00 0.15 H new ATOM 0 HG3 GLU A 65 -6.438 21.648 23.018 1.00 0.15 H new ATOM 992 N ASP A 66 -7.457 19.035 20.823 1.00 52.31 N ATOM 993 CA ASP A 66 -8.737 18.513 20.359 1.00 72.22 C ATOM 994 C ASP A 66 -9.638 18.157 21.537 1.00 32.22 C ATOM 995 O ASP A 66 -9.357 18.523 22.678 1.00 52.02 O ATOM 996 CB ASP A 66 -8.520 17.282 19.477 1.00 53.33 C ATOM 997 CG ASP A 66 -9.404 17.290 18.245 1.00 50.12 C ATOM 998 OD1 ASP A 66 -9.360 18.284 17.490 1.00 61.42 O ATOM 999 OD2 ASP A 66 -10.140 16.303 18.036 1.00 14.02 O ATOM 0 H ASP A 66 -7.189 18.726 21.757 1.00 52.31 H new ATOM 0 HA ASP A 66 -9.227 19.290 19.772 1.00 72.22 H new ATOM 0 HB2 ASP A 66 -7.475 17.238 19.171 1.00 53.33 H new ATOM 0 HB3 ASP A 66 -8.720 16.382 20.058 1.00 53.33 H new ATOM 1004 N GLU A 67 -10.722 17.442 21.252 1.00 31.21 N ATOM 1005 CA GLU A 67 -11.665 17.039 22.289 1.00 61.32 C ATOM 1006 C GLU A 67 -11.578 15.538 22.550 1.00 61.45 C ATOM 1007 O GLU A 67 -12.187 15.023 23.487 1.00 31.34 O ATOM 1008 CB GLU A 67 -13.092 17.415 21.886 1.00 51.51 C ATOM 1009 CG GLU A 67 -13.510 16.860 20.535 1.00 71.51 C ATOM 1010 CD GLU A 67 -14.904 17.298 20.129 1.00 2.15 C ATOM 1011 OE1 GLU A 67 -15.672 17.725 21.017 1.00 75.43 O ATOM 1012 OE2 GLU A 67 -15.226 17.215 18.926 1.00 31.31 O ATOM 0 H GLU A 67 -10.969 17.130 20.313 1.00 31.21 H new ATOM 0 HA GLU A 67 -11.403 17.566 23.207 1.00 61.32 H new ATOM 0 HB2 GLU A 67 -13.783 17.053 22.647 1.00 51.51 H new ATOM 0 HB3 GLU A 67 -13.180 18.501 21.866 1.00 51.51 H new ATOM 0 HG2 GLU A 67 -12.797 17.184 19.777 1.00 71.51 H new ATOM 0 HG3 GLU A 67 -13.470 15.771 20.566 1.00 71.51 H new ATOM 1019 N PHE A 68 -10.817 14.841 21.712 1.00 24.13 N ATOM 1020 CA PHE A 68 -10.650 13.399 21.850 1.00 33.33 C ATOM 1021 C PHE A 68 -9.556 13.072 22.862 1.00 21.31 C ATOM 1022 O PHE A 68 -9.272 11.904 23.132 1.00 55.35 O ATOM 1023 CB PHE A 68 -10.313 12.771 20.496 1.00 4.03 C ATOM 1024 CG PHE A 68 -11.504 12.611 19.596 1.00 52.21 C ATOM 1025 CD1 PHE A 68 -12.275 13.707 19.243 1.00 4.31 C ATOM 1026 CD2 PHE A 68 -11.854 11.364 19.103 1.00 50.53 C ATOM 1027 CE1 PHE A 68 -13.372 13.564 18.414 1.00 25.24 C ATOM 1028 CE2 PHE A 68 -12.949 11.215 18.273 1.00 34.14 C ATOM 1029 CZ PHE A 68 -13.710 12.316 17.930 1.00 61.42 C ATOM 0 H PHE A 68 -10.306 15.252 20.930 1.00 24.13 H new ATOM 0 HA PHE A 68 -11.590 12.983 22.211 1.00 33.33 H new ATOM 0 HB2 PHE A 68 -9.568 13.388 19.994 1.00 4.03 H new ATOM 0 HB3 PHE A 68 -9.858 11.794 20.661 1.00 4.03 H new ATOM 0 HD1 PHE A 68 -12.016 14.685 19.620 1.00 4.31 H new ATOM 0 HD2 PHE A 68 -11.265 10.499 19.370 1.00 50.53 H new ATOM 0 HE1 PHE A 68 -13.963 14.427 18.146 1.00 25.24 H new ATOM 0 HE2 PHE A 68 -13.210 10.238 17.893 1.00 34.14 H new ATOM 0 HZ PHE A 68 -14.568 12.201 17.284 1.00 61.42 H new ATOM 1039 N PHE A 69 -8.944 14.111 23.419 1.00 3.41 N ATOM 1040 CA PHE A 69 -7.879 13.936 24.400 1.00 11.12 C ATOM 1041 C PHE A 69 -7.440 15.281 24.972 1.00 21.24 C ATOM 1042 O PHE A 69 -7.054 15.376 26.137 1.00 54.33 O ATOM 1043 CB PHE A 69 -6.683 13.224 23.765 1.00 50.43 C ATOM 1044 CG PHE A 69 -5.904 14.091 22.818 1.00 45.33 C ATOM 1045 CD1 PHE A 69 -6.517 14.659 21.713 1.00 53.31 C ATOM 1046 CD2 PHE A 69 -4.557 14.339 23.033 1.00 73.34 C ATOM 1047 CE1 PHE A 69 -5.802 15.457 20.840 1.00 60.34 C ATOM 1048 CE2 PHE A 69 -3.837 15.136 22.163 1.00 61.31 C ATOM 1049 CZ PHE A 69 -4.461 15.696 21.065 1.00 5.35 C ATOM 0 H PHE A 69 -9.167 15.084 23.208 1.00 3.41 H new ATOM 0 HA PHE A 69 -8.266 13.324 25.214 1.00 11.12 H new ATOM 0 HB2 PHE A 69 -6.018 12.873 24.554 1.00 50.43 H new ATOM 0 HB3 PHE A 69 -7.037 12.342 23.231 1.00 50.43 H new ATOM 0 HD1 PHE A 69 -7.566 14.476 21.532 1.00 53.31 H new ATOM 0 HD2 PHE A 69 -4.065 13.904 23.890 1.00 73.34 H new ATOM 0 HE1 PHE A 69 -6.292 15.893 19.982 1.00 60.34 H new ATOM 0 HE2 PHE A 69 -2.788 15.321 22.341 1.00 61.31 H new ATOM 0 HZ PHE A 69 -3.901 16.320 20.384 1.00 5.35 H new ATOM 1059 N GLY A 70 -7.501 16.319 24.143 1.00 30.52 N ATOM 1060 CA GLY A 70 -7.106 17.644 24.583 1.00 33.13 C ATOM 1061 C GLY A 70 -5.852 18.136 23.888 1.00 33.04 C ATOM 1062 O GLY A 70 -5.641 17.862 22.707 1.00 71.11 O ATOM 0 H GLY A 70 -7.817 16.266 23.175 1.00 30.52 H new ATOM 0 HA2 GLY A 70 -7.920 18.344 24.395 1.00 33.13 H new ATOM 0 HA3 GLY A 70 -6.939 17.631 25.660 1.00 33.13 H new ATOM 1066 N ARG A 71 -5.019 18.866 24.622 1.00 23.13 N ATOM 1067 CA ARG A 71 -3.780 19.400 24.068 1.00 34.22 C ATOM 1068 C ARG A 71 -2.585 18.551 24.492 1.00 0.50 C ATOM 1069 O ARG A 71 -2.103 18.662 25.619 1.00 64.22 O ATOM 1070 CB ARG A 71 -3.577 20.848 24.519 1.00 34.51 C ATOM 1071 CG ARG A 71 -4.351 21.208 25.777 1.00 72.13 C ATOM 1072 CD ARG A 71 -3.794 20.493 26.998 1.00 44.42 C ATOM 1073 NE ARG A 71 -2.398 20.844 27.248 1.00 51.44 N ATOM 1074 CZ ARG A 71 -1.730 20.472 28.334 1.00 42.24 C ATOM 1075 NH1 ARG A 71 -2.326 19.741 29.265 1.00 13.10 N ATOM 1076 NH2 ARG A 71 -0.462 20.831 28.489 1.00 2.02 N ATOM 0 H ARG A 71 -5.179 19.101 25.601 1.00 23.13 H new ATOM 0 HA ARG A 71 -3.856 19.373 22.981 1.00 34.22 H new ATOM 0 HB2 ARG A 71 -2.515 21.020 24.694 1.00 34.51 H new ATOM 0 HB3 ARG A 71 -3.879 21.517 23.713 1.00 34.51 H new ATOM 0 HG2 ARG A 71 -4.310 22.286 25.935 1.00 72.13 H new ATOM 0 HG3 ARG A 71 -5.401 20.945 25.647 1.00 72.13 H new ATOM 0 HD2 ARG A 71 -4.394 20.747 27.872 1.00 44.42 H new ATOM 0 HD3 ARG A 71 -3.877 19.415 26.857 1.00 44.42 H new ATOM 0 HE ARG A 71 -1.910 21.405 26.550 1.00 51.44 H new ATOM 0 HH11 ARG A 71 -3.300 19.463 29.149 1.00 13.10 H new ATOM 0 HH12 ARG A 71 -1.810 19.457 30.098 1.00 13.10 H new ATOM 0 HH21 ARG A 71 0.000 21.393 27.774 1.00 2.02 H new ATOM 0 HH22 ARG A 71 0.051 20.545 29.323 1.00 2.02 H new ATOM 1090 N GLN A 72 -2.114 17.706 23.581 1.00 24.25 N ATOM 1091 CA GLN A 72 -0.976 16.838 23.862 1.00 3.21 C ATOM 1092 C GLN A 72 -0.206 16.520 22.585 1.00 62.14 C ATOM 1093 O GLN A 72 -0.606 16.917 21.490 1.00 75.43 O ATOM 1094 CB GLN A 72 -1.447 15.542 24.524 1.00 3.11 C ATOM 1095 CG GLN A 72 -1.174 15.489 26.019 1.00 74.43 C ATOM 1096 CD GLN A 72 -2.428 15.231 26.831 1.00 22.24 C ATOM 1097 OE1 GLN A 72 -2.696 14.100 27.239 1.00 3.21 O ATOM 1098 NE2 GLN A 72 -3.204 16.281 27.072 1.00 72.11 N ATOM 0 H GLN A 72 -2.502 17.604 22.643 1.00 24.25 H new ATOM 0 HA GLN A 72 -0.309 17.365 24.545 1.00 3.21 H new ATOM 0 HB2 GLN A 72 -2.517 15.425 24.354 1.00 3.11 H new ATOM 0 HB3 GLN A 72 -0.954 14.698 24.043 1.00 3.11 H new ATOM 0 HG2 GLN A 72 -0.445 14.705 26.224 1.00 74.43 H new ATOM 0 HG3 GLN A 72 -0.727 16.431 26.337 1.00 74.43 H new ATOM 0 HE21 GLN A 72 -2.944 17.200 26.715 1.00 72.11 H new ATOM 0 HE22 GLN A 72 -4.060 16.168 27.614 1.00 72.11 H new ATOM 1107 N THR A 73 0.903 15.801 22.731 1.00 0.21 N ATOM 1108 CA THR A 73 1.730 15.431 21.590 1.00 62.12 C ATOM 1109 C THR A 73 1.112 14.272 20.816 1.00 40.45 C ATOM 1110 O THR A 73 0.561 13.342 21.405 1.00 42.33 O ATOM 1111 CB THR A 73 3.153 15.038 22.031 1.00 74.40 C ATOM 1112 OG1 THR A 73 3.281 15.174 23.451 1.00 53.44 O ATOM 1113 CG2 THR A 73 4.193 15.903 21.337 1.00 43.40 C ATOM 0 H THR A 73 1.249 15.463 23.629 1.00 0.21 H new ATOM 0 HA THR A 73 1.787 16.307 20.944 1.00 62.12 H new ATOM 0 HB THR A 73 3.323 13.999 21.750 1.00 74.40 H new ATOM 0 HG1 THR A 73 3.864 14.466 23.796 1.00 53.44 H new ATOM 0 HG21 THR A 73 5.190 15.607 21.664 1.00 43.40 H new ATOM 0 HG22 THR A 73 4.112 15.774 20.258 1.00 43.40 H new ATOM 0 HG23 THR A 73 4.024 16.949 21.591 1.00 43.40 H new ATOM 1121 N VAL A 74 1.207 14.334 19.491 1.00 1.10 N ATOM 1122 CA VAL A 74 0.658 13.289 18.636 1.00 65.44 C ATOM 1123 C VAL A 74 1.567 13.023 17.441 1.00 41.24 C ATOM 1124 O VAL A 74 2.425 13.841 17.106 1.00 20.41 O ATOM 1125 CB VAL A 74 -0.747 13.660 18.126 1.00 45.53 C ATOM 1126 CG1 VAL A 74 -0.654 14.677 16.998 1.00 2.43 C ATOM 1127 CG2 VAL A 74 -1.495 12.416 17.672 1.00 1.12 C ATOM 0 H VAL A 74 1.659 15.097 18.987 1.00 1.10 H new ATOM 0 HA VAL A 74 0.588 12.387 19.244 1.00 65.44 H new ATOM 0 HB VAL A 74 -1.305 14.112 18.946 1.00 45.53 H new ATOM 0 HG11 VAL A 74 -1.656 14.927 16.650 1.00 2.43 H new ATOM 0 HG12 VAL A 74 -0.160 15.578 17.361 1.00 2.43 H new ATOM 0 HG13 VAL A 74 -0.079 14.255 16.174 1.00 2.43 H new ATOM 0 HG21 VAL A 74 -2.486 12.697 17.315 1.00 1.12 H new ATOM 0 HG22 VAL A 74 -0.942 11.933 16.866 1.00 1.12 H new ATOM 0 HG23 VAL A 74 -1.594 11.725 18.509 1.00 1.12 H new ATOM 1137 N TYR A 75 1.373 11.876 16.800 1.00 32.22 N ATOM 1138 CA TYR A 75 2.176 11.501 15.643 1.00 62.13 C ATOM 1139 C TYR A 75 1.305 11.358 14.398 1.00 23.13 C ATOM 1140 O TYR A 75 0.229 10.761 14.444 1.00 23.43 O ATOM 1141 CB TYR A 75 2.918 10.191 15.913 1.00 30.20 C ATOM 1142 CG TYR A 75 3.947 10.294 17.016 1.00 41.11 C ATOM 1143 CD1 TYR A 75 4.970 11.232 16.953 1.00 40.45 C ATOM 1144 CD2 TYR A 75 3.897 9.453 18.121 1.00 43.13 C ATOM 1145 CE1 TYR A 75 5.913 11.330 17.957 1.00 0.04 C ATOM 1146 CE2 TYR A 75 4.835 9.545 19.131 1.00 61.41 C ATOM 1147 CZ TYR A 75 5.841 10.484 19.045 1.00 50.44 C ATOM 1148 OH TYR A 75 6.778 10.578 20.048 1.00 32.32 O ATOM 0 H TYR A 75 0.666 11.189 17.063 1.00 32.22 H new ATOM 0 HA TYR A 75 2.904 12.293 15.466 1.00 62.13 H new ATOM 0 HB2 TYR A 75 2.193 9.420 16.175 1.00 30.20 H new ATOM 0 HB3 TYR A 75 3.411 9.867 14.997 1.00 30.20 H new ATOM 0 HD1 TYR A 75 5.029 11.896 16.104 1.00 40.45 H new ATOM 0 HD2 TYR A 75 3.112 8.715 18.191 1.00 43.13 H new ATOM 0 HE1 TYR A 75 6.702 12.064 17.891 1.00 0.04 H new ATOM 0 HE2 TYR A 75 4.781 8.885 19.984 1.00 61.41 H new ATOM 0 HH TYR A 75 7.503 9.941 19.879 1.00 32.32 H new ATOM 1158 N HIS A 76 1.779 11.910 13.286 1.00 50.22 N ATOM 1159 CA HIS A 76 1.045 11.844 12.027 1.00 62.11 C ATOM 1160 C HIS A 76 1.575 10.715 11.148 1.00 20.10 C ATOM 1161 O HIS A 76 1.028 10.436 10.080 1.00 0.44 O ATOM 1162 CB HIS A 76 1.146 13.176 11.283 1.00 61.44 C ATOM 1163 CG HIS A 76 2.493 13.422 10.675 1.00 32.41 C ATOM 1164 ND1 HIS A 76 2.686 14.235 9.578 1.00 25.34 N ATOM 1165 CD2 HIS A 76 3.717 12.957 11.018 1.00 1.43 C ATOM 1166 CE1 HIS A 76 3.971 14.259 9.272 1.00 24.33 C ATOM 1167 NE2 HIS A 76 4.619 13.492 10.131 1.00 33.02 N ATOM 0 H HIS A 76 2.668 12.408 13.231 1.00 50.22 H new ATOM 0 HA HIS A 76 -0.002 11.642 12.255 1.00 62.11 H new ATOM 0 HB2 HIS A 76 0.391 13.202 10.497 1.00 61.44 H new ATOM 0 HB3 HIS A 76 0.915 13.987 11.974 1.00 61.44 H new ATOM 0 HD2 HIS A 76 3.942 12.290 11.837 1.00 1.43 H new ATOM 0 HE1 HIS A 76 4.416 14.812 8.458 1.00 24.33 H new ATOM 0 HE2 HIS A 76 5.625 13.325 10.135 1.00 33.02 H new ATOM 1175 N HIS A 77 2.644 10.068 11.604 1.00 55.45 N ATOM 1176 CA HIS A 77 3.248 8.970 10.858 1.00 35.43 C ATOM 1177 C HIS A 77 4.449 8.401 11.607 1.00 2.20 C ATOM 1178 O HIS A 77 4.491 7.212 11.920 1.00 71.12 O ATOM 1179 CB HIS A 77 3.675 9.442 9.468 1.00 12.24 C ATOM 1180 CG HIS A 77 4.538 8.458 8.740 1.00 11.33 C ATOM 1181 ND1 HIS A 77 4.063 7.637 7.739 1.00 4.14 N ATOM 1182 CD2 HIS A 77 5.853 8.168 8.871 1.00 23.45 C ATOM 1183 CE1 HIS A 77 5.049 6.883 7.288 1.00 61.54 C ATOM 1184 NE2 HIS A 77 6.146 7.185 7.958 1.00 43.23 N ATOM 0 H HIS A 77 3.109 10.285 12.486 1.00 55.45 H new ATOM 0 HA HIS A 77 2.502 8.183 10.751 1.00 35.43 H new ATOM 0 HB2 HIS A 77 2.785 9.642 8.872 1.00 12.24 H new ATOM 0 HB3 HIS A 77 4.214 10.385 9.563 1.00 12.24 H new ATOM 0 HD1 HIS A 77 3.101 7.615 7.400 1.00 4.14 H new ATOM 0 HD2 HIS A 77 6.544 8.625 9.564 1.00 23.45 H new ATOM 0 HE1 HIS A 77 4.971 6.144 6.504 1.00 61.54 H new ATOM 1192 N GLU A 78 5.424 9.259 11.890 1.00 43.50 N ATOM 1193 CA GLU A 78 6.627 8.841 12.600 1.00 0.13 C ATOM 1194 C GLU A 78 6.366 8.743 14.101 1.00 63.54 C ATOM 1195 O GLU A 78 5.765 9.635 14.697 1.00 51.53 O ATOM 1196 CB GLU A 78 7.771 9.822 12.334 1.00 72.23 C ATOM 1197 CG GLU A 78 7.401 11.273 12.591 1.00 30.25 C ATOM 1198 CD GLU A 78 8.612 12.183 12.643 1.00 5.34 C ATOM 1199 OE1 GLU A 78 9.373 12.104 13.630 1.00 22.14 O ATOM 1200 OE2 GLU A 78 8.800 12.975 11.696 1.00 15.40 O ATOM 0 H GLU A 78 5.404 10.247 11.639 1.00 43.50 H new ATOM 0 HA GLU A 78 6.911 7.855 12.232 1.00 0.13 H new ATOM 0 HB2 GLU A 78 8.620 9.556 12.963 1.00 72.23 H new ATOM 0 HB3 GLU A 78 8.095 9.717 11.299 1.00 72.23 H new ATOM 0 HG2 GLU A 78 6.726 11.616 11.807 1.00 30.25 H new ATOM 0 HG3 GLU A 78 6.857 11.344 13.533 1.00 30.25 H new ATOM 1207 N ALA A 79 6.823 7.650 14.704 1.00 11.11 N ATOM 1208 CA ALA A 79 6.641 7.435 16.134 1.00 32.42 C ATOM 1209 C ALA A 79 7.587 6.357 16.652 1.00 64.01 C ATOM 1210 O ALA A 79 7.274 5.168 16.603 1.00 60.12 O ATOM 1211 CB ALA A 79 5.197 7.059 16.432 1.00 72.44 C ATOM 0 H ALA A 79 7.322 6.900 14.224 1.00 11.11 H new ATOM 0 HA ALA A 79 6.876 8.367 16.649 1.00 32.42 H new ATOM 0 HB1 ALA A 79 5.076 6.901 17.504 1.00 72.44 H new ATOM 0 HB2 ALA A 79 4.537 7.863 16.107 1.00 72.44 H new ATOM 0 HB3 ALA A 79 4.942 6.143 15.899 1.00 72.44 H new ATOM 1217 N GLN A 80 8.746 6.781 17.147 1.00 52.34 N ATOM 1218 CA GLN A 80 9.738 5.851 17.672 1.00 42.02 C ATOM 1219 C GLN A 80 10.023 6.132 19.144 1.00 74.04 C ATOM 1220 O GLN A 80 9.956 7.277 19.592 1.00 61.41 O ATOM 1221 CB GLN A 80 11.033 5.944 16.863 1.00 23.21 C ATOM 1222 CG GLN A 80 12.221 5.276 17.537 1.00 33.42 C ATOM 1223 CD GLN A 80 13.498 5.406 16.732 1.00 64.12 C ATOM 1224 OE1 GLN A 80 13.957 6.513 16.449 1.00 25.10 O ATOM 1225 NE2 GLN A 80 14.081 4.273 16.358 1.00 72.34 N ATOM 0 H GLN A 80 9.020 7.762 17.195 1.00 52.34 H new ATOM 0 HA GLN A 80 9.335 4.842 17.585 1.00 42.02 H new ATOM 0 HB2 GLN A 80 10.875 5.486 15.886 1.00 23.21 H new ATOM 0 HB3 GLN A 80 11.268 6.994 16.689 1.00 23.21 H new ATOM 0 HG2 GLN A 80 12.371 5.718 18.522 1.00 33.42 H new ATOM 0 HG3 GLN A 80 12.000 4.220 17.692 1.00 33.42 H new ATOM 0 HE21 GLN A 80 13.666 3.377 16.614 1.00 72.34 H new ATOM 0 HE22 GLN A 80 14.944 4.299 15.814 1.00 72.34 H new ATOM 1234 N VAL A 81 10.339 5.080 19.891 1.00 25.34 N ATOM 1235 CA VAL A 81 10.635 5.213 21.313 1.00 54.10 C ATOM 1236 C VAL A 81 11.902 4.452 21.685 1.00 41.11 C ATOM 1237 O VAL A 81 12.142 3.349 21.195 1.00 20.24 O ATOM 1238 CB VAL A 81 9.468 4.700 22.179 1.00 45.52 C ATOM 1239 CG1 VAL A 81 9.693 5.055 23.641 1.00 54.31 C ATOM 1240 CG2 VAL A 81 8.147 5.266 21.681 1.00 50.11 C ATOM 0 H VAL A 81 10.397 4.126 19.536 1.00 25.34 H new ATOM 0 HA VAL A 81 10.783 6.275 21.507 1.00 54.10 H new ATOM 0 HB VAL A 81 9.426 3.614 22.096 1.00 45.52 H new ATOM 0 HG11 VAL A 81 8.859 4.685 24.238 1.00 54.31 H new ATOM 0 HG12 VAL A 81 10.619 4.597 23.988 1.00 54.31 H new ATOM 0 HG13 VAL A 81 9.762 6.138 23.746 1.00 54.31 H new ATOM 0 HG21 VAL A 81 7.334 4.894 22.304 1.00 50.11 H new ATOM 0 HG22 VAL A 81 8.175 6.354 21.733 1.00 50.11 H new ATOM 0 HG23 VAL A 81 7.985 4.956 20.649 1.00 50.11 H new ATOM 1250 N ALA A 82 12.711 5.049 22.554 1.00 14.15 N ATOM 1251 CA ALA A 82 13.953 4.427 22.995 1.00 71.55 C ATOM 1252 C ALA A 82 13.824 3.888 24.415 1.00 32.32 C ATOM 1253 O ALA A 82 13.424 4.609 25.329 1.00 33.24 O ATOM 1254 CB ALA A 82 15.101 5.421 22.907 1.00 23.24 C ATOM 0 H ALA A 82 12.528 5.964 22.967 1.00 14.15 H new ATOM 0 HA ALA A 82 14.164 3.586 22.334 1.00 71.55 H new ATOM 0 HB1 ALA A 82 16.022 4.943 23.239 1.00 23.24 H new ATOM 0 HB2 ALA A 82 15.216 5.753 21.875 1.00 23.24 H new ATOM 0 HB3 ALA A 82 14.888 6.280 23.543 1.00 23.24 H new ATOM 1260 N PHE A 83 14.164 2.616 24.594 1.00 63.32 N ATOM 1261 CA PHE A 83 14.085 1.980 25.904 1.00 72.33 C ATOM 1262 C PHE A 83 15.478 1.673 26.445 1.00 62.43 C ATOM 1263 O PHE A 83 15.984 0.556 26.331 1.00 34.21 O ATOM 1264 CB PHE A 83 13.263 0.692 25.820 1.00 72.12 C ATOM 1265 CG PHE A 83 11.969 0.854 25.075 1.00 15.32 C ATOM 1266 CD1 PHE A 83 11.104 1.894 25.380 1.00 23.52 C ATOM 1267 CD2 PHE A 83 11.616 -0.032 24.070 1.00 43.30 C ATOM 1268 CE1 PHE A 83 9.912 2.045 24.697 1.00 24.31 C ATOM 1269 CE2 PHE A 83 10.426 0.115 23.383 1.00 32.40 C ATOM 1270 CZ PHE A 83 9.573 1.155 23.696 1.00 23.05 C ATOM 0 H PHE A 83 14.497 2.005 23.848 1.00 63.32 H new ATOM 0 HA PHE A 83 13.594 2.673 26.587 1.00 72.33 H new ATOM 0 HB2 PHE A 83 13.860 -0.079 25.332 1.00 72.12 H new ATOM 0 HB3 PHE A 83 13.050 0.340 26.829 1.00 72.12 H new ATOM 0 HD1 PHE A 83 11.365 2.594 26.160 1.00 23.52 H new ATOM 0 HD2 PHE A 83 12.279 -0.847 23.821 1.00 43.30 H new ATOM 0 HE1 PHE A 83 9.246 2.858 24.946 1.00 24.31 H new ATOM 0 HE2 PHE A 83 10.163 -0.583 22.602 1.00 32.40 H new ATOM 0 HZ PHE A 83 8.643 1.272 23.160 1.00 23.05 H new ATOM 1280 N PRO A 84 16.115 2.688 27.047 1.00 22.43 N ATOM 1281 CA PRO A 84 17.459 2.552 27.618 1.00 34.30 C ATOM 1282 C PRO A 84 17.473 1.674 28.865 1.00 73.33 C ATOM 1283 O PRO A 84 16.593 1.779 29.720 1.00 71.44 O ATOM 1284 CB PRO A 84 17.840 3.991 27.973 1.00 23.12 C ATOM 1285 CG PRO A 84 16.540 4.689 28.173 1.00 12.34 C ATOM 1286 CD PRO A 84 15.573 4.046 27.218 1.00 32.14 C ATOM 0 HA PRO A 84 18.150 2.072 26.925 1.00 34.30 H new ATOM 0 HB2 PRO A 84 18.452 4.028 28.874 1.00 23.12 H new ATOM 0 HB3 PRO A 84 18.420 4.455 27.175 1.00 23.12 H new ATOM 0 HG2 PRO A 84 16.197 4.588 29.203 1.00 12.34 H new ATOM 0 HG3 PRO A 84 16.635 5.756 27.972 1.00 12.34 H new ATOM 0 HD2 PRO A 84 14.561 4.027 27.623 1.00 32.14 H new ATOM 0 HD3 PRO A 84 15.527 4.583 26.270 1.00 32.14 H new ATOM 1294 N TYR A 85 18.476 0.809 28.962 1.00 22.10 N ATOM 1295 CA TYR A 85 18.603 -0.089 30.104 1.00 43.11 C ATOM 1296 C TYR A 85 19.146 0.652 31.322 1.00 42.31 C ATOM 1297 O TYR A 85 20.068 1.460 31.211 1.00 53.32 O ATOM 1298 CB TYR A 85 19.521 -1.263 29.757 1.00 55.23 C ATOM 1299 CG TYR A 85 19.106 -2.006 28.507 1.00 40.02 C ATOM 1300 CD1 TYR A 85 17.764 -2.180 28.191 1.00 10.43 C ATOM 1301 CD2 TYR A 85 20.056 -2.535 27.642 1.00 31.31 C ATOM 1302 CE1 TYR A 85 17.380 -2.859 27.051 1.00 44.51 C ATOM 1303 CE2 TYR A 85 19.682 -3.214 26.499 1.00 74.22 C ATOM 1304 CZ TYR A 85 18.343 -3.373 26.208 1.00 72.43 C ATOM 1305 OH TYR A 85 17.966 -4.050 25.070 1.00 32.45 O ATOM 0 H TYR A 85 19.213 0.710 28.264 1.00 22.10 H new ATOM 0 HA TYR A 85 17.611 -0.471 30.345 1.00 43.11 H new ATOM 0 HB2 TYR A 85 20.538 -0.893 29.629 1.00 55.23 H new ATOM 0 HB3 TYR A 85 19.539 -1.960 30.595 1.00 55.23 H new ATOM 0 HD1 TYR A 85 17.008 -1.777 28.848 1.00 10.43 H new ATOM 0 HD2 TYR A 85 21.105 -2.413 27.867 1.00 31.31 H new ATOM 0 HE1 TYR A 85 16.332 -2.987 26.821 1.00 44.51 H new ATOM 0 HE2 TYR A 85 20.433 -3.618 25.837 1.00 74.22 H new ATOM 0 HH TYR A 85 17.704 -4.964 25.305 1.00 32.45 H new ATOM 1315 N ALA A 86 18.568 0.370 32.485 1.00 73.15 N ATOM 1316 CA ALA A 86 18.994 1.007 33.724 1.00 31.45 C ATOM 1317 C ALA A 86 19.927 0.097 34.516 1.00 31.23 C ATOM 1318 O ALA A 86 20.424 0.473 35.578 1.00 23.40 O ATOM 1319 CB ALA A 86 17.784 1.386 34.566 1.00 42.12 C ATOM 0 H ALA A 86 17.803 -0.296 32.594 1.00 73.15 H new ATOM 0 HA ALA A 86 19.543 1.913 33.468 1.00 31.45 H new ATOM 0 HB1 ALA A 86 18.117 1.861 35.489 1.00 42.12 H new ATOM 0 HB2 ALA A 86 17.155 2.079 34.008 1.00 42.12 H new ATOM 0 HB3 ALA A 86 17.212 0.489 34.805 1.00 42.12 H new ATOM 1325 N LYS A 87 20.160 -1.102 33.994 1.00 63.41 N ATOM 1326 CA LYS A 87 21.034 -2.067 34.651 1.00 21.01 C ATOM 1327 C LYS A 87 21.682 -2.997 33.631 1.00 62.51 C ATOM 1328 O LYS A 87 21.032 -3.451 32.690 1.00 71.32 O ATOM 1329 CB LYS A 87 20.245 -2.886 35.675 1.00 0.01 C ATOM 1330 CG LYS A 87 20.175 -2.239 37.047 1.00 12.15 C ATOM 1331 CD LYS A 87 21.550 -2.136 37.686 1.00 14.43 C ATOM 1332 CE LYS A 87 21.727 -3.160 38.797 1.00 54.13 C ATOM 1333 NZ LYS A 87 21.500 -2.564 40.142 1.00 5.35 N ATOM 0 H LYS A 87 19.755 -1.429 33.117 1.00 63.41 H new ATOM 0 HA LYS A 87 21.821 -1.515 35.165 1.00 21.01 H new ATOM 0 HB2 LYS A 87 19.232 -3.039 35.303 1.00 0.01 H new ATOM 0 HB3 LYS A 87 20.702 -3.871 35.770 1.00 0.01 H new ATOM 0 HG2 LYS A 87 19.738 -1.244 36.959 1.00 12.15 H new ATOM 0 HG3 LYS A 87 19.516 -2.821 37.691 1.00 12.15 H new ATOM 0 HD2 LYS A 87 22.317 -2.285 36.926 1.00 14.43 H new ATOM 0 HD3 LYS A 87 21.691 -1.133 38.089 1.00 14.43 H new ATOM 0 HE2 LYS A 87 21.032 -3.986 38.644 1.00 54.13 H new ATOM 0 HE3 LYS A 87 22.733 -3.577 38.750 1.00 54.13 H new ATOM 0 HZ1 LYS A 87 21.630 -3.294 40.872 1.00 5.35 H new ATOM 0 HZ2 LYS A 87 22.180 -1.793 40.299 1.00 5.35 H new ATOM 0 HZ3 LYS A 87 20.532 -2.189 40.196 1.00 5.35 H new ATOM 1347 N ALA A 88 22.967 -3.278 33.825 1.00 35.40 N ATOM 1348 CA ALA A 88 23.701 -4.158 32.924 1.00 51.32 C ATOM 1349 C ALA A 88 23.259 -5.608 33.090 1.00 12.42 C ATOM 1350 O ALA A 88 23.090 -6.091 34.210 1.00 63.24 O ATOM 1351 CB ALA A 88 25.198 -4.029 33.165 1.00 73.34 C ATOM 0 H ALA A 88 23.521 -2.909 34.598 1.00 35.40 H new ATOM 0 HA ALA A 88 23.481 -3.855 31.900 1.00 51.32 H new ATOM 0 HB1 ALA A 88 25.734 -4.692 32.486 1.00 73.34 H new ATOM 0 HB2 ALA A 88 25.508 -2.999 32.987 1.00 73.34 H new ATOM 0 HB3 ALA A 88 25.426 -4.304 34.195 1.00 73.34 H new ATOM 1357 N VAL A 89 23.072 -6.297 31.969 1.00 53.20 N ATOM 1358 CA VAL A 89 22.649 -7.692 31.991 1.00 64.12 C ATOM 1359 C VAL A 89 22.531 -8.253 30.578 1.00 12.40 C ATOM 1360 O VAL A 89 21.936 -7.630 29.700 1.00 53.33 O ATOM 1361 CB VAL A 89 21.299 -7.859 32.712 1.00 11.44 C ATOM 1362 CG1 VAL A 89 20.264 -6.904 32.137 1.00 44.53 C ATOM 1363 CG2 VAL A 89 20.818 -9.299 32.617 1.00 3.21 C ATOM 0 H VAL A 89 23.207 -5.912 31.034 1.00 53.20 H new ATOM 0 HA VAL A 89 23.414 -8.245 32.536 1.00 64.12 H new ATOM 0 HB VAL A 89 21.438 -7.615 33.765 1.00 11.44 H new ATOM 0 HG11 VAL A 89 19.317 -7.037 32.659 1.00 44.53 H new ATOM 0 HG12 VAL A 89 20.607 -5.877 32.263 1.00 44.53 H new ATOM 0 HG13 VAL A 89 20.126 -7.113 31.076 1.00 44.53 H new ATOM 0 HG21 VAL A 89 19.863 -9.398 33.132 1.00 3.21 H new ATOM 0 HG22 VAL A 89 20.696 -9.573 31.569 1.00 3.21 H new ATOM 0 HG23 VAL A 89 21.551 -9.959 33.081 1.00 3.21 H new ATOM 1373 N GLY A 90 23.102 -9.435 30.366 1.00 12.40 N ATOM 1374 CA GLY A 90 23.049 -10.060 29.058 1.00 73.14 C ATOM 1375 C GLY A 90 22.024 -11.175 28.989 1.00 24.54 C ATOM 1376 O GLY A 90 22.227 -12.171 28.295 1.00 44.20 O ATOM 0 H GLY A 90 23.600 -9.970 31.077 1.00 12.40 H new ATOM 0 HA2 GLY A 90 22.812 -9.306 28.308 1.00 73.14 H new ATOM 0 HA3 GLY A 90 24.032 -10.459 28.809 1.00 73.14 H new ATOM 1380 N GLU A 91 20.922 -11.010 29.713 1.00 11.44 N ATOM 1381 CA GLU A 91 19.864 -12.013 29.733 1.00 11.24 C ATOM 1382 C GLU A 91 18.651 -11.541 28.936 1.00 2.44 C ATOM 1383 O GLU A 91 18.496 -10.357 28.637 1.00 43.51 O ATOM 1384 CB GLU A 91 19.452 -12.323 31.174 1.00 72.11 C ATOM 1385 CG GLU A 91 20.176 -13.518 31.770 1.00 24.13 C ATOM 1386 CD GLU A 91 19.568 -13.974 33.083 1.00 42.35 C ATOM 1387 OE1 GLU A 91 19.309 -13.112 33.948 1.00 5.11 O ATOM 1388 OE2 GLU A 91 19.351 -15.193 33.243 1.00 31.12 O ATOM 0 H GLU A 91 20.738 -10.192 30.293 1.00 11.44 H new ATOM 0 HA GLU A 91 20.250 -12.921 29.270 1.00 11.24 H new ATOM 0 HB2 GLU A 91 19.643 -11.447 31.794 1.00 72.11 H new ATOM 0 HB3 GLU A 91 18.378 -12.507 31.204 1.00 72.11 H new ATOM 0 HG2 GLU A 91 20.154 -14.343 31.058 1.00 24.13 H new ATOM 0 HG3 GLU A 91 21.223 -13.261 31.929 1.00 24.13 H new ATOM 1395 N PRO A 92 17.770 -12.488 28.584 1.00 60.34 N ATOM 1396 CA PRO A 92 16.556 -12.194 27.817 1.00 73.21 C ATOM 1397 C PRO A 92 15.533 -11.408 28.630 1.00 41.21 C ATOM 1398 O PRO A 92 15.481 -11.520 29.855 1.00 54.01 O ATOM 1399 CB PRO A 92 16.010 -13.582 27.470 1.00 3.22 C ATOM 1400 CG PRO A 92 16.544 -14.476 28.536 1.00 52.41 C ATOM 1401 CD PRO A 92 17.891 -13.920 28.907 1.00 51.14 C ATOM 0 HA PRO A 92 16.765 -11.573 26.946 1.00 73.21 H new ATOM 0 HB2 PRO A 92 14.920 -13.587 27.458 1.00 3.22 H new ATOM 0 HB3 PRO A 92 16.341 -13.902 26.482 1.00 3.22 H new ATOM 0 HG2 PRO A 92 15.878 -14.495 29.399 1.00 52.41 H new ATOM 0 HG3 PRO A 92 16.631 -15.502 28.178 1.00 52.41 H new ATOM 0 HD2 PRO A 92 18.113 -14.076 29.963 1.00 51.14 H new ATOM 0 HD3 PRO A 92 18.692 -14.394 28.339 1.00 51.14 H new ATOM 1409 N TYR A 93 14.722 -10.613 27.941 1.00 11.32 N ATOM 1410 CA TYR A 93 13.702 -9.806 28.600 1.00 14.01 C ATOM 1411 C TYR A 93 12.415 -9.780 27.781 1.00 33.12 C ATOM 1412 O TYR A 93 12.393 -10.197 26.623 1.00 53.12 O ATOM 1413 CB TYR A 93 14.210 -8.380 28.816 1.00 4.34 C ATOM 1414 CG TYR A 93 15.168 -7.909 27.745 1.00 60.40 C ATOM 1415 CD1 TYR A 93 16.531 -8.159 27.846 1.00 41.44 C ATOM 1416 CD2 TYR A 93 14.709 -7.217 26.631 1.00 2.43 C ATOM 1417 CE1 TYR A 93 17.410 -7.730 26.869 1.00 15.05 C ATOM 1418 CE2 TYR A 93 15.580 -6.785 25.649 1.00 23.44 C ATOM 1419 CZ TYR A 93 16.929 -7.044 25.773 1.00 24.13 C ATOM 1420 OH TYR A 93 17.801 -6.617 24.798 1.00 1.20 O ATOM 0 H TYR A 93 14.751 -10.510 26.927 1.00 11.32 H new ATOM 0 HA TYR A 93 13.487 -10.258 29.568 1.00 14.01 H new ATOM 0 HB2 TYR A 93 13.358 -7.702 28.853 1.00 4.34 H new ATOM 0 HB3 TYR A 93 14.705 -8.323 29.785 1.00 4.34 H new ATOM 0 HD1 TYR A 93 16.910 -8.697 28.702 1.00 41.44 H new ATOM 0 HD2 TYR A 93 13.653 -7.013 26.531 1.00 2.43 H new ATOM 0 HE1 TYR A 93 18.467 -7.931 26.963 1.00 15.05 H new ATOM 0 HE2 TYR A 93 15.207 -6.248 24.790 1.00 23.44 H new ATOM 0 HH TYR A 93 17.775 -7.239 24.041 1.00 1.20 H new ATOM 1430 N LYS A 94 11.343 -9.287 28.392 1.00 54.33 N ATOM 1431 CA LYS A 94 10.050 -9.203 27.721 1.00 25.13 C ATOM 1432 C LYS A 94 9.744 -7.767 27.307 1.00 65.42 C ATOM 1433 O LYS A 94 10.148 -6.817 27.979 1.00 72.03 O ATOM 1434 CB LYS A 94 8.943 -9.728 28.638 1.00 54.25 C ATOM 1435 CG LYS A 94 7.822 -10.435 27.894 1.00 5.31 C ATOM 1436 CD LYS A 94 6.533 -9.632 27.934 1.00 1.22 C ATOM 1437 CE LYS A 94 5.663 -10.033 29.116 1.00 43.32 C ATOM 1438 NZ LYS A 94 5.063 -8.848 29.790 1.00 62.21 N ATOM 0 H LYS A 94 11.344 -8.939 29.351 1.00 54.33 H new ATOM 0 HA LYS A 94 10.093 -9.819 26.823 1.00 25.13 H new ATOM 0 HB2 LYS A 94 9.378 -10.417 29.362 1.00 54.25 H new ATOM 0 HB3 LYS A 94 8.524 -8.895 29.202 1.00 54.25 H new ATOM 0 HG2 LYS A 94 8.118 -10.598 26.858 1.00 5.31 H new ATOM 0 HG3 LYS A 94 7.654 -11.417 28.336 1.00 5.31 H new ATOM 0 HD2 LYS A 94 6.767 -8.569 27.997 1.00 1.22 H new ATOM 0 HD3 LYS A 94 5.980 -9.782 27.007 1.00 1.22 H new ATOM 0 HE2 LYS A 94 4.869 -10.697 28.774 1.00 43.32 H new ATOM 0 HE3 LYS A 94 6.261 -10.595 29.833 1.00 43.32 H new ATOM 0 HZ1 LYS A 94 4.478 -9.163 30.590 1.00 62.21 H new ATOM 0 HZ2 LYS A 94 5.820 -8.227 30.139 1.00 62.21 H new ATOM 0 HZ3 LYS A 94 4.471 -8.326 29.112 1.00 62.21 H new ATOM 1452 N LEU A 95 9.029 -7.616 26.198 1.00 33.50 N ATOM 1453 CA LEU A 95 8.667 -6.296 25.695 1.00 52.13 C ATOM 1454 C LEU A 95 7.152 -6.151 25.585 1.00 64.34 C ATOM 1455 O LEU A 95 6.443 -7.121 25.316 1.00 64.15 O ATOM 1456 CB LEU A 95 9.314 -6.054 24.330 1.00 3.52 C ATOM 1457 CG LEU A 95 9.277 -4.614 23.816 1.00 61.02 C ATOM 1458 CD1 LEU A 95 10.401 -4.374 22.820 1.00 51.13 C ATOM 1459 CD2 LEU A 95 7.927 -4.308 23.184 1.00 61.34 C ATOM 0 H LEU A 95 8.688 -8.392 25.630 1.00 33.50 H new ATOM 0 HA LEU A 95 9.034 -5.552 26.402 1.00 52.13 H new ATOM 0 HB2 LEU A 95 10.355 -6.374 24.382 1.00 3.52 H new ATOM 0 HB3 LEU A 95 8.820 -6.693 23.598 1.00 3.52 H new ATOM 0 HG LEU A 95 9.420 -3.942 24.662 1.00 61.02 H new ATOM 0 HD11 LEU A 95 10.359 -3.344 22.465 1.00 51.13 H new ATOM 0 HD12 LEU A 95 11.361 -4.552 23.305 1.00 51.13 H new ATOM 0 HD13 LEU A 95 10.290 -5.054 21.975 1.00 51.13 H new ATOM 0 HD21 LEU A 95 7.919 -3.279 22.824 1.00 61.34 H new ATOM 0 HD22 LEU A 95 7.754 -4.986 22.348 1.00 61.34 H new ATOM 0 HD23 LEU A 95 7.140 -4.439 23.926 1.00 61.34 H new ATOM 1471 N VAL A 96 6.663 -4.933 25.792 1.00 33.15 N ATOM 1472 CA VAL A 96 5.233 -4.660 25.713 1.00 34.23 C ATOM 1473 C VAL A 96 4.968 -3.280 25.122 1.00 64.24 C ATOM 1474 O VAL A 96 5.309 -2.260 25.721 1.00 11.35 O ATOM 1475 CB VAL A 96 4.567 -4.748 27.099 1.00 32.44 C ATOM 1476 CG1 VAL A 96 5.427 -4.063 28.150 1.00 41.42 C ATOM 1477 CG2 VAL A 96 3.173 -4.140 27.060 1.00 31.41 C ATOM 0 H VAL A 96 7.236 -4.119 26.016 1.00 33.15 H new ATOM 0 HA VAL A 96 4.802 -5.420 25.061 1.00 34.23 H new ATOM 0 HB VAL A 96 4.473 -5.799 27.371 1.00 32.44 H new ATOM 0 HG11 VAL A 96 4.940 -4.136 29.122 1.00 41.42 H new ATOM 0 HG12 VAL A 96 6.402 -4.548 28.195 1.00 41.42 H new ATOM 0 HG13 VAL A 96 5.556 -3.013 27.887 1.00 41.42 H new ATOM 0 HG21 VAL A 96 2.717 -4.211 28.048 1.00 31.41 H new ATOM 0 HG22 VAL A 96 3.241 -3.093 26.766 1.00 31.41 H new ATOM 0 HG23 VAL A 96 2.560 -4.680 26.338 1.00 31.41 H new ATOM 1487 N LEU A 97 4.359 -3.256 23.941 1.00 1.44 N ATOM 1488 CA LEU A 97 4.048 -2.000 23.267 1.00 12.12 C ATOM 1489 C LEU A 97 2.543 -1.844 23.075 1.00 53.31 C ATOM 1490 O LEU A 97 1.844 -2.804 22.749 1.00 51.12 O ATOM 1491 CB LEU A 97 4.756 -1.936 21.913 1.00 73.43 C ATOM 1492 CG LEU A 97 5.846 -0.874 21.775 1.00 43.45 C ATOM 1493 CD1 LEU A 97 6.960 -1.367 20.864 1.00 3.03 C ATOM 1494 CD2 LEU A 97 5.260 0.427 21.246 1.00 54.04 C ATOM 0 H LEU A 97 4.071 -4.091 23.431 1.00 1.44 H new ATOM 0 HA LEU A 97 4.403 -1.182 23.894 1.00 12.12 H new ATOM 0 HB2 LEU A 97 5.199 -2.911 21.711 1.00 73.43 H new ATOM 0 HB3 LEU A 97 4.006 -1.761 21.142 1.00 73.43 H new ATOM 0 HG LEU A 97 6.268 -0.685 22.762 1.00 43.45 H new ATOM 0 HD11 LEU A 97 7.727 -0.597 20.778 1.00 3.03 H new ATOM 0 HD12 LEU A 97 7.400 -2.272 21.284 1.00 3.03 H new ATOM 0 HD13 LEU A 97 6.553 -1.586 19.877 1.00 3.03 H new ATOM 0 HD21 LEU A 97 6.051 1.172 21.154 1.00 54.04 H new ATOM 0 HD22 LEU A 97 4.811 0.253 20.268 1.00 54.04 H new ATOM 0 HD23 LEU A 97 4.498 0.790 21.936 1.00 54.04 H new ATOM 1506 N THR A 98 2.049 -0.626 23.277 1.00 34.12 N ATOM 1507 CA THR A 98 0.627 -0.343 23.125 1.00 30.24 C ATOM 1508 C THR A 98 0.403 0.931 22.319 1.00 70.32 C ATOM 1509 O THR A 98 0.932 1.991 22.655 1.00 72.33 O ATOM 1510 CB THR A 98 -0.066 -0.200 24.493 1.00 15.13 C ATOM 1511 OG1 THR A 98 0.474 -1.150 25.418 1.00 34.23 O ATOM 1512 CG2 THR A 98 -1.568 -0.408 24.363 1.00 2.23 C ATOM 0 H THR A 98 2.613 0.180 23.546 1.00 34.12 H new ATOM 0 HA THR A 98 0.192 -1.188 22.592 1.00 30.24 H new ATOM 0 HB THR A 98 0.115 0.809 24.863 1.00 15.13 H new ATOM 0 HG1 THR A 98 0.029 -1.051 26.286 1.00 34.23 H new ATOM 0 HG21 THR A 98 -2.036 -0.302 25.342 1.00 2.23 H new ATOM 0 HG22 THR A 98 -1.981 0.336 23.681 1.00 2.23 H new ATOM 0 HG23 THR A 98 -1.765 -1.407 23.973 1.00 2.23 H new ATOM 1520 N TYR A 99 -0.384 0.821 21.254 1.00 30.44 N ATOM 1521 CA TYR A 99 -0.677 1.964 20.399 1.00 43.33 C ATOM 1522 C TYR A 99 -2.178 2.232 20.341 1.00 24.31 C ATOM 1523 O TYR A 99 -2.982 1.303 20.273 1.00 63.34 O ATOM 1524 CB TYR A 99 -0.136 1.724 18.988 1.00 3.22 C ATOM 1525 CG TYR A 99 0.683 0.460 18.861 1.00 63.40 C ATOM 1526 CD1 TYR A 99 2.015 0.428 19.256 1.00 32.24 C ATOM 1527 CD2 TYR A 99 0.125 -0.704 18.346 1.00 30.01 C ATOM 1528 CE1 TYR A 99 2.767 -0.725 19.141 1.00 31.21 C ATOM 1529 CE2 TYR A 99 0.869 -1.862 18.229 1.00 61.15 C ATOM 1530 CZ TYR A 99 2.190 -1.867 18.627 1.00 74.51 C ATOM 1531 OH TYR A 99 2.935 -3.018 18.512 1.00 60.42 O ATOM 0 H TYR A 99 -0.830 -0.049 20.963 1.00 30.44 H new ATOM 0 HA TYR A 99 -0.187 2.839 20.826 1.00 43.33 H new ATOM 0 HB2 TYR A 99 -0.972 1.677 18.290 1.00 3.22 H new ATOM 0 HB3 TYR A 99 0.477 2.576 18.693 1.00 3.22 H new ATOM 0 HD1 TYR A 99 2.470 1.320 19.660 1.00 32.24 H new ATOM 0 HD2 TYR A 99 -0.908 -0.703 18.032 1.00 30.01 H new ATOM 0 HE1 TYR A 99 3.801 -0.732 19.452 1.00 31.21 H new ATOM 0 HE2 TYR A 99 0.419 -2.758 17.828 1.00 61.15 H new ATOM 0 HH TYR A 99 3.618 -3.037 19.215 1.00 60.42 H new ATOM 1541 N GLN A 100 -2.546 3.508 20.369 1.00 40.51 N ATOM 1542 CA GLN A 100 -3.950 3.899 20.320 1.00 1.21 C ATOM 1543 C GLN A 100 -4.103 5.311 19.763 1.00 31.41 C ATOM 1544 O GLN A 100 -3.502 6.257 20.269 1.00 2.11 O ATOM 1545 CB GLN A 100 -4.572 3.818 21.715 1.00 14.30 C ATOM 1546 CG GLN A 100 -6.033 4.237 21.755 1.00 72.14 C ATOM 1547 CD GLN A 100 -6.612 4.203 23.155 1.00 13.22 C ATOM 1548 OE1 GLN A 100 -5.971 4.631 24.115 1.00 25.32 O ATOM 1549 NE2 GLN A 100 -7.832 3.694 23.280 1.00 72.44 N ATOM 0 H GLN A 100 -1.892 4.289 20.425 1.00 40.51 H new ATOM 0 HA GLN A 100 -4.471 3.208 19.657 1.00 1.21 H new ATOM 0 HB2 GLN A 100 -4.486 2.796 22.083 1.00 14.30 H new ATOM 0 HB3 GLN A 100 -4.002 4.451 22.395 1.00 14.30 H new ATOM 0 HG2 GLN A 100 -6.129 5.245 21.351 1.00 72.14 H new ATOM 0 HG3 GLN A 100 -6.614 3.578 21.110 1.00 72.14 H new ATOM 0 HE21 GLN A 100 -8.328 3.350 22.458 1.00 72.44 H new ATOM 0 HE22 GLN A 100 -8.273 3.647 24.198 1.00 72.44 H new ATOM 1558 N GLY A 101 -4.913 5.444 18.717 1.00 45.14 N ATOM 1559 CA GLY A 101 -5.130 6.743 18.108 1.00 44.43 C ATOM 1560 C GLY A 101 -6.439 6.816 17.347 1.00 22.12 C ATOM 1561 O GLY A 101 -7.359 6.041 17.608 1.00 55.44 O ATOM 0 H GLY A 101 -5.423 4.676 18.281 1.00 45.14 H new ATOM 0 HA2 GLY A 101 -5.120 7.510 18.882 1.00 44.43 H new ATOM 0 HA3 GLY A 101 -4.306 6.965 17.430 1.00 44.43 H new ATOM 1565 N SER A 102 -6.523 7.750 16.405 1.00 34.13 N ATOM 1566 CA SER A 102 -7.732 7.925 15.608 1.00 30.53 C ATOM 1567 C SER A 102 -7.385 8.287 14.168 1.00 41.14 C ATOM 1568 O SER A 102 -6.229 8.560 13.846 1.00 62.11 O ATOM 1569 CB SER A 102 -8.619 9.011 16.220 1.00 72.51 C ATOM 1570 OG SER A 102 -9.636 8.443 17.028 1.00 42.40 O ATOM 0 H SER A 102 -5.769 8.397 16.175 1.00 34.13 H new ATOM 0 HA SER A 102 -8.276 6.981 15.606 1.00 30.53 H new ATOM 0 HB2 SER A 102 -8.010 9.688 16.819 1.00 72.51 H new ATOM 0 HB3 SER A 102 -9.071 9.606 15.426 1.00 72.51 H new ATOM 0 HG SER A 102 -10.188 9.157 17.409 1.00 42.40 H new ATOM 1576 N ALA A 103 -8.395 8.288 13.304 1.00 34.44 N ATOM 1577 CA ALA A 103 -8.199 8.618 11.898 1.00 1.24 C ATOM 1578 C ALA A 103 -8.452 10.100 11.642 1.00 20.13 C ATOM 1579 O ALA A 103 -9.420 10.669 12.146 1.00 42.14 O ATOM 1580 CB ALA A 103 -9.108 7.767 11.024 1.00 25.31 C ATOM 0 H ALA A 103 -9.358 8.064 13.554 1.00 34.44 H new ATOM 0 HA ALA A 103 -7.162 8.403 11.641 1.00 1.24 H new ATOM 0 HB1 ALA A 103 -8.951 8.024 9.977 1.00 25.31 H new ATOM 0 HB2 ALA A 103 -8.877 6.713 11.177 1.00 25.31 H new ATOM 0 HB3 ALA A 103 -10.148 7.953 11.291 1.00 25.31 H new ATOM 1586 N GLU A 104 -7.575 10.718 10.857 1.00 12.43 N ATOM 1587 CA GLU A 104 -7.704 12.135 10.537 1.00 53.03 C ATOM 1588 C GLU A 104 -9.066 12.430 9.915 1.00 52.22 C ATOM 1589 O GLU A 104 -9.542 13.565 9.946 1.00 21.33 O ATOM 1590 CB GLU A 104 -6.590 12.568 9.581 1.00 34.02 C ATOM 1591 CG GLU A 104 -5.410 13.223 10.279 1.00 55.31 C ATOM 1592 CD GLU A 104 -5.168 14.643 9.806 1.00 41.34 C ATOM 1593 OE1 GLU A 104 -4.931 14.832 8.594 1.00 60.32 O ATOM 1594 OE2 GLU A 104 -5.215 15.566 10.646 1.00 63.41 O ATOM 0 H GLU A 104 -6.769 10.261 10.431 1.00 12.43 H new ATOM 0 HA GLU A 104 -7.617 12.700 11.465 1.00 53.03 H new ATOM 0 HB2 GLU A 104 -6.237 11.697 9.029 1.00 34.02 H new ATOM 0 HB3 GLU A 104 -7.001 13.264 8.849 1.00 34.02 H new ATOM 0 HG2 GLU A 104 -5.586 13.227 11.355 1.00 55.31 H new ATOM 0 HG3 GLU A 104 -4.513 12.628 10.105 1.00 55.31 H new ATOM 1601 N ALA A 105 -9.688 11.400 9.350 1.00 43.45 N ATOM 1602 CA ALA A 105 -10.995 11.548 8.722 1.00 43.15 C ATOM 1603 C ALA A 105 -12.091 11.715 9.768 1.00 0.42 C ATOM 1604 O ALA A 105 -13.113 12.352 9.515 1.00 5.41 O ATOM 1605 CB ALA A 105 -11.291 10.350 7.831 1.00 2.41 C ATOM 0 H ALA A 105 -9.308 10.454 9.314 1.00 43.45 H new ATOM 0 HA ALA A 105 -10.976 12.448 8.108 1.00 43.15 H new ATOM 0 HB1 ALA A 105 -12.270 10.474 7.368 1.00 2.41 H new ATOM 0 HB2 ALA A 105 -10.529 10.277 7.055 1.00 2.41 H new ATOM 0 HB3 ALA A 105 -11.286 9.440 8.431 1.00 2.41 H new ATOM 1611 N GLY A 106 -11.872 11.138 10.946 1.00 62.12 N ATOM 1612 CA GLY A 106 -12.851 11.234 12.013 1.00 43.12 C ATOM 1613 C GLY A 106 -13.307 9.875 12.505 1.00 13.10 C ATOM 1614 O GLY A 106 -14.504 9.633 12.661 1.00 53.11 O ATOM 0 H GLY A 106 -11.034 10.606 11.180 1.00 62.12 H new ATOM 0 HA2 GLY A 106 -12.423 11.794 12.845 1.00 43.12 H new ATOM 0 HA3 GLY A 106 -13.715 11.798 11.660 1.00 43.12 H new ATOM 1618 N VAL A 107 -12.352 8.984 12.749 1.00 4.02 N ATOM 1619 CA VAL A 107 -12.662 7.642 13.226 1.00 22.41 C ATOM 1620 C VAL A 107 -11.879 7.314 14.493 1.00 70.34 C ATOM 1621 O VAL A 107 -10.725 7.716 14.643 1.00 64.24 O ATOM 1622 CB VAL A 107 -12.351 6.580 12.155 1.00 74.35 C ATOM 1623 CG1 VAL A 107 -12.534 5.180 12.721 1.00 73.10 C ATOM 1624 CG2 VAL A 107 -13.229 6.787 10.930 1.00 72.04 C ATOM 0 H VAL A 107 -11.356 9.167 12.624 1.00 4.02 H new ATOM 0 HA VAL A 107 -13.729 7.624 13.447 1.00 22.41 H new ATOM 0 HB VAL A 107 -11.310 6.690 11.851 1.00 74.35 H new ATOM 0 HG11 VAL A 107 -12.310 4.443 11.949 1.00 73.10 H new ATOM 0 HG12 VAL A 107 -11.860 5.038 13.565 1.00 73.10 H new ATOM 0 HG13 VAL A 107 -13.564 5.054 13.054 1.00 73.10 H new ATOM 0 HG21 VAL A 107 -12.996 6.028 10.183 1.00 72.04 H new ATOM 0 HG22 VAL A 107 -14.278 6.705 11.216 1.00 72.04 H new ATOM 0 HG23 VAL A 107 -13.043 7.776 10.512 1.00 72.04 H new ATOM 1634 N CYS A 108 -12.514 6.581 15.401 1.00 50.33 N ATOM 1635 CA CYS A 108 -11.877 6.199 16.656 1.00 31.10 C ATOM 1636 C CYS A 108 -11.859 4.682 16.817 1.00 53.32 C ATOM 1637 O CYS A 108 -12.909 4.045 16.910 1.00 1.43 O ATOM 1638 CB CYS A 108 -12.605 6.841 17.838 1.00 74.32 C ATOM 1639 SG CYS A 108 -14.401 6.629 17.801 1.00 3.15 S ATOM 0 H CYS A 108 -13.469 6.240 15.292 1.00 50.33 H new ATOM 0 HA CYS A 108 -10.847 6.556 16.636 1.00 31.10 H new ATOM 0 HB2 CYS A 108 -12.218 6.415 18.764 1.00 74.32 H new ATOM 0 HB3 CYS A 108 -12.376 7.906 17.857 1.00 74.32 H new ATOM 0 HG CYS A 108 -14.688 5.432 17.382 1.00 3.15 H new ATOM 1645 N TYR A 109 -10.661 4.110 16.846 1.00 30.14 N ATOM 1646 CA TYR A 109 -10.506 2.667 16.991 1.00 15.45 C ATOM 1647 C TYR A 109 -9.933 2.316 18.361 1.00 62.12 C ATOM 1648 O TYR A 109 -9.321 3.143 19.037 1.00 64.21 O ATOM 1649 CB TYR A 109 -9.599 2.117 15.890 1.00 53.24 C ATOM 1650 CG TYR A 109 -8.450 3.035 15.537 1.00 75.33 C ATOM 1651 CD1 TYR A 109 -8.611 4.054 14.606 1.00 2.21 C ATOM 1652 CD2 TYR A 109 -7.205 2.882 16.133 1.00 62.13 C ATOM 1653 CE1 TYR A 109 -7.564 4.895 14.280 1.00 60.41 C ATOM 1654 CE2 TYR A 109 -6.153 3.718 15.814 1.00 41.53 C ATOM 1655 CZ TYR A 109 -6.337 4.723 14.887 1.00 53.03 C ATOM 1656 OH TYR A 109 -5.291 5.558 14.565 1.00 34.41 O ATOM 0 H TYR A 109 -9.783 4.623 16.771 1.00 30.14 H new ATOM 0 HA TYR A 109 -11.492 2.210 16.902 1.00 15.45 H new ATOM 0 HB2 TYR A 109 -9.199 1.154 16.208 1.00 53.24 H new ATOM 0 HB3 TYR A 109 -10.196 1.935 14.996 1.00 53.24 H new ATOM 0 HD1 TYR A 109 -9.570 4.191 14.129 1.00 2.21 H new ATOM 0 HD2 TYR A 109 -7.057 2.096 16.858 1.00 62.13 H new ATOM 0 HE1 TYR A 109 -7.705 5.682 13.554 1.00 60.41 H new ATOM 0 HE2 TYR A 109 -5.191 3.586 16.288 1.00 41.53 H new ATOM 0 HH TYR A 109 -5.404 5.886 13.648 1.00 34.41 H new ATOM 1666 N PRO A 110 -10.135 1.058 18.780 1.00 24.03 N ATOM 1667 CA PRO A 110 -9.645 0.566 20.071 1.00 22.05 C ATOM 1668 C PRO A 110 -8.126 0.437 20.104 1.00 2.45 C ATOM 1669 O PRO A 110 -7.459 0.400 19.070 1.00 52.20 O ATOM 1670 CB PRO A 110 -10.301 -0.811 20.198 1.00 21.23 C ATOM 1671 CG PRO A 110 -10.558 -1.239 18.795 1.00 51.04 C ATOM 1672 CD PRO A 110 -10.856 0.019 18.026 1.00 22.13 C ATOM 0 HA PRO A 110 -9.890 1.247 20.886 1.00 22.05 H new ATOM 0 HB2 PRO A 110 -9.647 -1.515 20.713 1.00 21.23 H new ATOM 0 HB3 PRO A 110 -11.226 -0.757 20.771 1.00 21.23 H new ATOM 0 HG2 PRO A 110 -9.692 -1.754 18.379 1.00 51.04 H new ATOM 0 HG3 PRO A 110 -11.396 -1.934 18.746 1.00 51.04 H new ATOM 0 HD2 PRO A 110 -10.505 -0.047 16.996 1.00 22.13 H new ATOM 0 HD3 PRO A 110 -11.926 0.221 17.986 1.00 22.13 H new ATOM 1680 N PRO A 111 -7.563 0.367 21.320 1.00 13.31 N ATOM 1681 CA PRO A 111 -6.116 0.241 21.517 1.00 71.24 C ATOM 1682 C PRO A 111 -5.590 -1.124 21.087 1.00 61.33 C ATOM 1683 O PRO A 111 -6.313 -2.120 21.125 1.00 52.23 O ATOM 1684 CB PRO A 111 -5.945 0.429 23.026 1.00 34.51 C ATOM 1685 CG PRO A 111 -7.254 0.020 23.609 1.00 11.31 C ATOM 1686 CD PRO A 111 -8.297 0.406 22.596 1.00 22.44 C ATOM 0 HA PRO A 111 -5.559 0.962 20.919 1.00 71.24 H new ATOM 0 HB2 PRO A 111 -5.131 -0.184 23.412 1.00 34.51 H new ATOM 0 HB3 PRO A 111 -5.708 1.464 23.272 1.00 34.51 H new ATOM 0 HG2 PRO A 111 -7.277 -1.052 23.803 1.00 11.31 H new ATOM 0 HG3 PRO A 111 -7.431 0.520 24.561 1.00 11.31 H new ATOM 0 HD2 PRO A 111 -9.136 -0.289 22.598 1.00 22.44 H new ATOM 0 HD3 PRO A 111 -8.704 1.397 22.796 1.00 22.44 H new ATOM 1694 N VAL A 112 -4.326 -1.164 20.678 1.00 24.30 N ATOM 1695 CA VAL A 112 -3.702 -2.408 20.242 1.00 20.13 C ATOM 1696 C VAL A 112 -2.431 -2.693 21.035 1.00 51.32 C ATOM 1697 O VAL A 112 -1.440 -1.972 20.918 1.00 1.20 O ATOM 1698 CB VAL A 112 -3.360 -2.368 18.741 1.00 23.51 C ATOM 1699 CG1 VAL A 112 -2.928 -3.744 18.255 1.00 10.32 C ATOM 1700 CG2 VAL A 112 -4.546 -1.858 17.938 1.00 75.42 C ATOM 0 H VAL A 112 -3.714 -0.349 20.639 1.00 24.30 H new ATOM 0 HA VAL A 112 -4.424 -3.204 20.421 1.00 20.13 H new ATOM 0 HB VAL A 112 -2.528 -1.679 18.594 1.00 23.51 H new ATOM 0 HG11 VAL A 112 -2.690 -3.696 17.192 1.00 10.32 H new ATOM 0 HG12 VAL A 112 -2.047 -4.066 18.810 1.00 10.32 H new ATOM 0 HG13 VAL A 112 -3.737 -4.457 18.414 1.00 10.32 H new ATOM 0 HG21 VAL A 112 -4.286 -1.836 16.880 1.00 75.42 H new ATOM 0 HG22 VAL A 112 -5.399 -2.519 18.089 1.00 75.42 H new ATOM 0 HG23 VAL A 112 -4.804 -0.852 18.269 1.00 75.42 H new ATOM 1710 N ASP A 113 -2.467 -3.748 21.841 1.00 71.02 N ATOM 1711 CA ASP A 113 -1.317 -4.130 22.652 1.00 12.13 C ATOM 1712 C ASP A 113 -0.567 -5.296 22.017 1.00 45.14 C ATOM 1713 O ASP A 113 -1.175 -6.242 21.516 1.00 35.11 O ATOM 1714 CB ASP A 113 -1.766 -4.506 24.066 1.00 44.45 C ATOM 1715 CG ASP A 113 -2.412 -5.876 24.123 1.00 45.02 C ATOM 1716 OD1 ASP A 113 -1.676 -6.873 24.280 1.00 2.05 O ATOM 1717 OD2 ASP A 113 -3.653 -5.951 24.011 1.00 62.51 O ATOM 0 H ASP A 113 -3.280 -4.354 21.950 1.00 71.02 H new ATOM 0 HA ASP A 113 -0.643 -3.275 22.708 1.00 12.13 H new ATOM 0 HB2 ASP A 113 -0.906 -4.485 24.735 1.00 44.45 H new ATOM 0 HB3 ASP A 113 -2.471 -3.759 24.431 1.00 44.45 H new ATOM 1722 N THR A 114 0.761 -5.221 22.039 1.00 73.33 N ATOM 1723 CA THR A 114 1.595 -6.268 21.463 1.00 73.52 C ATOM 1724 C THR A 114 2.906 -6.409 22.227 1.00 63.23 C ATOM 1725 O THR A 114 3.633 -5.434 22.414 1.00 62.11 O ATOM 1726 CB THR A 114 1.905 -5.988 19.980 1.00 32.02 C ATOM 1727 OG1 THR A 114 1.322 -4.741 19.585 1.00 32.22 O ATOM 1728 CG2 THR A 114 1.373 -7.105 19.095 1.00 20.34 C ATOM 0 H THR A 114 1.281 -4.446 22.450 1.00 73.33 H new ATOM 0 HA THR A 114 1.032 -7.198 21.539 1.00 73.52 H new ATOM 0 HB THR A 114 2.987 -5.937 19.861 1.00 32.02 H new ATOM 0 HG1 THR A 114 1.877 -4.325 18.893 1.00 32.22 H new ATOM 0 HG21 THR A 114 1.604 -6.885 18.053 1.00 20.34 H new ATOM 0 HG22 THR A 114 1.840 -8.048 19.379 1.00 20.34 H new ATOM 0 HG23 THR A 114 0.293 -7.184 19.218 1.00 20.34 H new ATOM 1736 N GLU A 115 3.203 -7.629 22.665 1.00 52.31 N ATOM 1737 CA GLU A 115 4.428 -7.895 23.409 1.00 22.40 C ATOM 1738 C GLU A 115 5.450 -8.616 22.534 1.00 1.32 C ATOM 1739 O GLU A 115 5.093 -9.446 21.698 1.00 31.24 O ATOM 1740 CB GLU A 115 4.124 -8.734 24.652 1.00 10.44 C ATOM 1741 CG GLU A 115 3.414 -7.959 25.750 1.00 72.01 C ATOM 1742 CD GLU A 115 1.958 -7.689 25.425 1.00 54.03 C ATOM 1743 OE1 GLU A 115 1.252 -8.642 25.032 1.00 15.43 O ATOM 1744 OE2 GLU A 115 1.524 -6.526 25.562 1.00 21.12 O ATOM 0 H GLU A 115 2.612 -8.447 22.517 1.00 52.31 H new ATOM 0 HA GLU A 115 4.850 -6.939 23.719 1.00 22.40 H new ATOM 0 HB2 GLU A 115 3.508 -9.586 24.364 1.00 10.44 H new ATOM 0 HB3 GLU A 115 5.058 -9.135 25.047 1.00 10.44 H new ATOM 0 HG2 GLU A 115 3.476 -8.519 26.683 1.00 72.01 H new ATOM 0 HG3 GLU A 115 3.928 -7.012 25.912 1.00 72.01 H new ATOM 1751 N PHE A 116 6.723 -8.291 22.732 1.00 24.04 N ATOM 1752 CA PHE A 116 7.798 -8.905 21.961 1.00 30.02 C ATOM 1753 C PHE A 116 8.834 -9.542 22.883 1.00 12.20 C ATOM 1754 O PHE A 116 9.340 -8.899 23.803 1.00 31.53 O ATOM 1755 CB PHE A 116 8.469 -7.864 21.063 1.00 4.34 C ATOM 1756 CG PHE A 116 7.507 -7.127 20.176 1.00 31.31 C ATOM 1757 CD1 PHE A 116 6.617 -7.820 19.371 1.00 22.30 C ATOM 1758 CD2 PHE A 116 7.491 -5.742 20.147 1.00 23.15 C ATOM 1759 CE1 PHE A 116 5.731 -7.145 18.553 1.00 1.02 C ATOM 1760 CE2 PHE A 116 6.607 -5.061 19.332 1.00 61.31 C ATOM 1761 CZ PHE A 116 5.725 -5.764 18.534 1.00 2.14 C ATOM 0 H PHE A 116 7.036 -7.606 23.420 1.00 24.04 H new ATOM 0 HA PHE A 116 7.364 -9.686 21.338 1.00 30.02 H new ATOM 0 HB2 PHE A 116 8.999 -7.145 21.688 1.00 4.34 H new ATOM 0 HB3 PHE A 116 9.216 -8.359 20.443 1.00 4.34 H new ATOM 0 HD1 PHE A 116 6.616 -8.900 19.383 1.00 22.30 H new ATOM 0 HD2 PHE A 116 8.178 -5.188 20.769 1.00 23.15 H new ATOM 0 HE1 PHE A 116 5.044 -7.697 17.929 1.00 1.02 H new ATOM 0 HE2 PHE A 116 6.606 -3.981 19.319 1.00 61.31 H new ATOM 0 HZ PHE A 116 5.032 -5.235 17.897 1.00 2.14 H new ATOM 1771 N ASP A 117 9.143 -10.808 22.629 1.00 24.52 N ATOM 1772 CA ASP A 117 10.119 -11.533 23.435 1.00 20.41 C ATOM 1773 C ASP A 117 11.532 -11.320 22.900 1.00 34.02 C ATOM 1774 O ASP A 117 11.863 -11.765 21.801 1.00 24.21 O ATOM 1775 CB ASP A 117 9.788 -13.026 23.454 1.00 33.44 C ATOM 1776 CG ASP A 117 8.907 -13.409 24.628 1.00 50.14 C ATOM 1777 OD1 ASP A 117 8.024 -12.605 24.994 1.00 3.23 O ATOM 1778 OD2 ASP A 117 9.100 -14.513 25.179 1.00 52.44 O ATOM 0 H ASP A 117 8.732 -11.354 21.872 1.00 24.52 H new ATOM 0 HA ASP A 117 10.073 -11.145 24.453 1.00 20.41 H new ATOM 0 HB2 ASP A 117 9.287 -13.296 22.524 1.00 33.44 H new ATOM 0 HB3 ASP A 117 10.714 -13.600 23.496 1.00 33.44 H new ATOM 1783 N ILE A 118 12.358 -10.636 23.684 1.00 44.12 N ATOM 1784 CA ILE A 118 13.735 -10.364 23.289 1.00 53.25 C ATOM 1785 C ILE A 118 14.686 -11.417 23.847 1.00 75.22 C ATOM 1786 O ILE A 118 14.669 -11.713 25.042 1.00 70.12 O ATOM 1787 CB ILE A 118 14.192 -8.972 23.764 1.00 62.12 C ATOM 1788 CG1 ILE A 118 13.067 -7.951 23.580 1.00 24.22 C ATOM 1789 CG2 ILE A 118 15.438 -8.537 23.007 1.00 23.20 C ATOM 1790 CD1 ILE A 118 12.598 -7.821 22.148 1.00 13.42 C ATOM 0 H ILE A 118 12.098 -10.260 24.596 1.00 44.12 H new ATOM 0 HA ILE A 118 13.763 -10.395 22.200 1.00 53.25 H new ATOM 0 HB ILE A 118 14.436 -9.028 24.825 1.00 62.12 H new ATOM 0 HG12 ILE A 118 12.222 -8.237 24.206 1.00 24.22 H new ATOM 0 HG13 ILE A 118 13.409 -6.978 23.932 1.00 24.22 H new ATOM 0 HG21 ILE A 118 15.749 -7.551 23.354 1.00 23.20 H new ATOM 0 HG22 ILE A 118 16.240 -9.254 23.184 1.00 23.20 H new ATOM 0 HG23 ILE A 118 15.219 -8.494 21.940 1.00 23.20 H new ATOM 0 HD11 ILE A 118 11.800 -7.081 22.092 1.00 13.42 H new ATOM 0 HD12 ILE A 118 13.431 -7.505 21.520 1.00 13.42 H new ATOM 0 HD13 ILE A 118 12.225 -8.784 21.799 1.00 13.42 H new ATOM 1802 N PHE A 119 15.515 -11.979 22.974 1.00 22.31 N ATOM 1803 CA PHE A 119 16.475 -13.000 23.380 1.00 51.34 C ATOM 1804 C PHE A 119 17.618 -13.101 22.374 1.00 24.04 C ATOM 1805 O PHE A 119 18.196 -14.170 22.180 1.00 11.22 O ATOM 1806 CB PHE A 119 15.781 -14.356 23.518 1.00 30.33 C ATOM 1807 CG PHE A 119 14.699 -14.583 22.501 1.00 23.12 C ATOM 1808 CD1 PHE A 119 14.938 -14.359 21.155 1.00 41.22 C ATOM 1809 CD2 PHE A 119 13.444 -15.021 22.891 1.00 21.02 C ATOM 1810 CE1 PHE A 119 13.944 -14.566 20.217 1.00 2.11 C ATOM 1811 CE2 PHE A 119 12.446 -15.230 21.958 1.00 63.42 C ATOM 1812 CZ PHE A 119 12.697 -15.003 20.619 1.00 62.52 C ATOM 0 H PHE A 119 15.542 -11.745 21.981 1.00 22.31 H new ATOM 0 HA PHE A 119 16.889 -12.711 24.346 1.00 51.34 H new ATOM 0 HB2 PHE A 119 16.526 -15.147 23.427 1.00 30.33 H new ATOM 0 HB3 PHE A 119 15.352 -14.435 24.517 1.00 30.33 H new ATOM 0 HD1 PHE A 119 15.912 -14.019 20.835 1.00 41.22 H new ATOM 0 HD2 PHE A 119 13.243 -15.201 23.937 1.00 21.02 H new ATOM 0 HE1 PHE A 119 14.142 -14.386 19.171 1.00 2.11 H new ATOM 0 HE2 PHE A 119 11.471 -15.570 22.275 1.00 63.42 H new ATOM 0 HZ PHE A 119 11.920 -15.167 19.888 1.00 62.52 H new ATOM 1822 N GLY A 120 17.939 -11.979 21.737 1.00 64.11 N ATOM 1823 CA GLY A 120 19.011 -11.962 20.759 1.00 64.42 C ATOM 1824 C GLY A 120 18.506 -12.143 19.341 1.00 33.43 C ATOM 1825 O GLY A 120 18.162 -13.252 18.935 1.00 61.42 O ATOM 0 H GLY A 120 17.476 -11.082 21.881 1.00 64.11 H new ATOM 0 HA2 GLY A 120 19.550 -11.017 20.832 1.00 64.42 H new ATOM 0 HA3 GLY A 120 19.723 -12.754 20.991 1.00 64.42 H new ATOM 1829 N ASN A 121 18.459 -11.050 18.587 1.00 14.24 N ATOM 1830 CA ASN A 121 17.989 -11.093 17.207 1.00 13.44 C ATOM 1831 C ASN A 121 18.057 -9.710 16.567 1.00 54.34 C ATOM 1832 O ASN A 121 18.469 -9.567 15.416 1.00 14.42 O ATOM 1833 CB ASN A 121 16.555 -11.623 17.151 1.00 32.21 C ATOM 1834 CG ASN A 121 16.364 -12.658 16.059 1.00 33.01 C ATOM 1835 OD1 ASN A 121 16.278 -13.856 16.331 1.00 3.44 O ATOM 1836 ND2 ASN A 121 16.296 -12.199 14.815 1.00 71.22 N ATOM 0 H ASN A 121 18.741 -10.124 18.908 1.00 14.24 H new ATOM 0 HA ASN A 121 18.640 -11.766 16.648 1.00 13.44 H new ATOM 0 HB2 ASN A 121 16.295 -12.062 18.114 1.00 32.21 H new ATOM 0 HB3 ASN A 121 15.870 -10.792 16.984 1.00 32.21 H new ATOM 0 HD21 ASN A 121 16.168 -12.848 14.038 1.00 71.22 H new ATOM 0 HD22 ASN A 121 16.372 -11.198 14.636 1.00 71.22 H new ATOM 1843 N GLY A 122 17.649 -8.693 17.321 1.00 65.12 N ATOM 1844 CA GLY A 122 17.672 -7.335 16.810 1.00 4.22 C ATOM 1845 C GLY A 122 16.321 -6.889 16.288 1.00 61.04 C ATOM 1846 O GLY A 122 15.636 -6.085 16.921 1.00 71.13 O ATOM 0 H GLY A 122 17.303 -8.786 18.276 1.00 65.12 H new ATOM 0 HA2 GLY A 122 17.994 -6.658 17.601 1.00 4.22 H new ATOM 0 HA3 GLY A 122 18.409 -7.264 16.010 1.00 4.22 H new ATOM 1850 N THR A 123 15.936 -7.410 15.127 1.00 34.50 N ATOM 1851 CA THR A 123 14.659 -7.059 14.518 1.00 60.51 C ATOM 1852 C THR A 123 13.549 -7.990 14.993 1.00 12.32 C ATOM 1853 O THR A 123 13.715 -9.210 15.015 1.00 14.51 O ATOM 1854 CB THR A 123 14.736 -7.114 12.980 1.00 22.44 C ATOM 1855 OG1 THR A 123 16.057 -6.774 12.544 1.00 72.43 O ATOM 1856 CG2 THR A 123 13.728 -6.163 12.354 1.00 45.33 C ATOM 0 H THR A 123 16.490 -8.077 14.590 1.00 34.50 H new ATOM 0 HA THR A 123 14.431 -6.039 14.827 1.00 60.51 H new ATOM 0 HB THR A 123 14.499 -8.129 12.661 1.00 22.44 H new ATOM 0 HG1 THR A 123 16.099 -6.813 11.566 1.00 72.43 H new ATOM 0 HG21 THR A 123 13.801 -6.219 11.268 1.00 45.33 H new ATOM 0 HG22 THR A 123 12.722 -6.443 12.665 1.00 45.33 H new ATOM 0 HG23 THR A 123 13.938 -5.144 12.680 1.00 45.33 H new ATOM 1864 N TYR A 124 12.417 -7.407 15.372 1.00 0.23 N ATOM 1865 CA TYR A 124 11.279 -8.184 15.849 1.00 24.11 C ATOM 1866 C TYR A 124 9.968 -7.611 15.320 1.00 20.14 C ATOM 1867 O TYR A 124 9.856 -6.409 15.075 1.00 32.54 O ATOM 1868 CB TYR A 124 11.258 -8.210 17.378 1.00 33.24 C ATOM 1869 CG TYR A 124 12.527 -8.755 17.993 1.00 61.42 C ATOM 1870 CD1 TYR A 124 13.679 -7.981 18.059 1.00 15.15 C ATOM 1871 CD2 TYR A 124 12.574 -10.045 18.508 1.00 64.23 C ATOM 1872 CE1 TYR A 124 14.841 -8.475 18.619 1.00 34.42 C ATOM 1873 CE2 TYR A 124 13.732 -10.547 19.071 1.00 73.54 C ATOM 1874 CZ TYR A 124 14.862 -9.759 19.124 1.00 62.04 C ATOM 1875 OH TYR A 124 16.017 -10.255 19.683 1.00 4.23 O ATOM 0 H TYR A 124 12.263 -6.399 15.358 1.00 0.23 H new ATOM 0 HA TYR A 124 11.385 -9.203 15.477 1.00 24.11 H new ATOM 0 HB2 TYR A 124 11.091 -7.198 17.748 1.00 33.24 H new ATOM 0 HB3 TYR A 124 10.414 -8.815 17.711 1.00 33.24 H new ATOM 0 HD1 TYR A 124 13.666 -6.975 17.665 1.00 15.15 H new ATOM 0 HD2 TYR A 124 11.691 -10.665 18.468 1.00 64.23 H new ATOM 0 HE1 TYR A 124 15.728 -7.860 18.661 1.00 34.42 H new ATOM 0 HE2 TYR A 124 13.752 -11.551 19.467 1.00 73.54 H new ATOM 0 HH TYR A 124 15.960 -10.195 20.659 1.00 4.23 H new ATOM 1885 N HIS A 125 8.977 -8.480 15.147 1.00 22.22 N ATOM 1886 CA HIS A 125 7.672 -8.062 14.649 1.00 52.03 C ATOM 1887 C HIS A 125 6.561 -8.916 15.252 1.00 13.13 C ATOM 1888 O HIS A 125 6.770 -10.065 15.641 1.00 34.22 O ATOM 1889 CB HIS A 125 7.631 -8.155 13.123 1.00 21.32 C ATOM 1890 CG HIS A 125 8.254 -6.980 12.434 1.00 24.44 C ATOM 1891 ND1 HIS A 125 7.518 -5.956 11.878 1.00 34.05 N ATOM 1892 CD2 HIS A 125 9.553 -6.670 12.215 1.00 44.22 C ATOM 1893 CE1 HIS A 125 8.336 -5.067 11.345 1.00 3.01 C ATOM 1894 NE2 HIS A 125 9.577 -5.476 11.536 1.00 25.30 N ATOM 0 H HIS A 125 9.053 -9.478 15.344 1.00 22.22 H new ATOM 0 HA HIS A 125 7.512 -7.026 14.947 1.00 52.03 H new ATOM 0 HB2 HIS A 125 8.144 -9.064 12.809 1.00 21.32 H new ATOM 0 HB3 HIS A 125 6.594 -8.247 12.801 1.00 21.32 H new ATOM 0 HD2 HIS A 125 10.411 -7.253 12.518 1.00 44.22 H new ATOM 0 HE1 HIS A 125 8.040 -4.160 10.839 1.00 3.01 H new ATOM 0 HE2 HIS A 125 10.417 -4.985 11.229 1.00 25.30 H new ATOM 1902 N PRO A 126 5.351 -8.342 15.334 1.00 71.52 N ATOM 1903 CA PRO A 126 4.183 -9.033 15.889 1.00 23.21 C ATOM 1904 C PRO A 126 3.695 -10.163 14.989 1.00 44.15 C ATOM 1905 O PRO A 126 3.620 -10.008 13.770 1.00 15.21 O ATOM 1906 CB PRO A 126 3.128 -7.928 15.980 1.00 32.45 C ATOM 1907 CG PRO A 126 3.527 -6.936 14.944 1.00 63.14 C ATOM 1908 CD PRO A 126 5.030 -6.976 14.890 1.00 55.25 C ATOM 0 HA PRO A 126 4.406 -9.508 16.844 1.00 23.21 H new ATOM 0 HB2 PRO A 126 2.128 -8.319 15.790 1.00 32.45 H new ATOM 0 HB3 PRO A 126 3.111 -7.478 16.973 1.00 32.45 H new ATOM 0 HG2 PRO A 126 3.095 -7.188 13.976 1.00 63.14 H new ATOM 0 HG3 PRO A 126 3.172 -5.938 15.202 1.00 63.14 H new ATOM 0 HD2 PRO A 126 5.401 -6.783 13.883 1.00 55.25 H new ATOM 0 HD3 PRO A 126 5.476 -6.226 15.543 1.00 55.25 H new ATOM 1916 N GLN A 127 3.366 -11.298 15.597 1.00 52.25 N ATOM 1917 CA GLN A 127 2.885 -12.453 14.848 1.00 64.30 C ATOM 1918 C GLN A 127 1.362 -12.461 14.778 1.00 70.33 C ATOM 1919 O GLN A 127 0.721 -13.470 15.073 1.00 31.45 O ATOM 1920 CB GLN A 127 3.385 -13.748 15.491 1.00 10.05 C ATOM 1921 CG GLN A 127 4.825 -14.086 15.140 1.00 73.24 C ATOM 1922 CD GLN A 127 4.928 -15.108 14.025 1.00 63.41 C ATOM 1923 OE1 GLN A 127 4.028 -15.231 13.194 1.00 71.30 O ATOM 1924 NE2 GLN A 127 6.030 -15.849 14.001 1.00 3.10 N ATOM 0 H GLN A 127 3.424 -11.443 16.605 1.00 52.25 H new ATOM 0 HA GLN A 127 3.276 -12.385 13.833 1.00 64.30 H new ATOM 0 HB2 GLN A 127 3.294 -13.665 16.574 1.00 10.05 H new ATOM 0 HB3 GLN A 127 2.741 -14.571 15.179 1.00 10.05 H new ATOM 0 HG2 GLN A 127 5.346 -13.176 14.843 1.00 73.24 H new ATOM 0 HG3 GLN A 127 5.331 -14.468 16.026 1.00 73.24 H new ATOM 0 HE21 GLN A 127 6.751 -15.714 14.710 1.00 3.10 H new ATOM 0 HE22 GLN A 127 6.155 -16.553 13.274 1.00 3.10 H new ATOM 1933 N THR A 128 0.786 -11.329 14.384 1.00 25.23 N ATOM 1934 CA THR A 128 -0.662 -11.205 14.277 1.00 64.23 C ATOM 1935 C THR A 128 -1.087 -10.965 12.833 1.00 71.23 C ATOM 1936 O THR A 128 -2.223 -11.253 12.453 1.00 3.43 O ATOM 1937 CB THR A 128 -1.194 -10.057 15.154 1.00 1.34 C ATOM 1938 OG1 THR A 128 -0.788 -10.250 16.514 1.00 64.22 O ATOM 1939 CG2 THR A 128 -2.711 -9.977 15.080 1.00 72.13 C ATOM 0 H THR A 128 1.301 -10.485 14.134 1.00 25.23 H new ATOM 0 HA THR A 128 -1.087 -12.146 14.627 1.00 64.23 H new ATOM 0 HB THR A 128 -0.778 -9.122 14.780 1.00 1.34 H new ATOM 0 HG1 THR A 128 -1.129 -9.515 17.065 1.00 64.22 H new ATOM 0 HG21 THR A 128 -3.063 -9.159 15.708 1.00 72.13 H new ATOM 0 HG22 THR A 128 -3.016 -9.800 14.049 1.00 72.13 H new ATOM 0 HG23 THR A 128 -3.142 -10.915 15.431 1.00 72.13 H new