USER MOD reduce.3.24.130724 H: found=0, std=0, add=907, rem=0, adj=27 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= 0.85 USER MOD Set 1.2: A 114 THR OG1 : rot 139:sc= 1.48 USER MOD Set 2.1: A 85 TYR OH : rot -55:sc= 1.47 USER MOD Set 2.2: A 93 TYR OH : rot 90:sc= 0.877 USER MOD Set 3.1: A 46 LYS NZ :NH3+ -152:sc= -0.0191 (180deg=0) USER MOD Set 3.2: A 48 ASN : amide:sc= -3.75! C(o=-3.8!,f=-9.1!) USER MOD Set 4.1: A 40 GLN : amide:sc= -1.31 K(o=0.89,f=-6.5!) USER MOD Set 4.2: A 75 TYR OH : rot 55:sc= 2.2 USER MOD Set 5.1: A 37 TYR OH : rot 180:sc= -0.168 USER MOD Set 5.2: A 39 TYR OH : rot 180:sc= -0.0152 USER MOD Set 6.1: A 27 ASN : amide:sc= 0.00143 X(o=-0.037,f=0) USER MOD Set 6.2: A 80 GLN : amide:sc= -0.0382 X(o=-0.037,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 166:sc= -0.048 (180deg=-0.293) USER MOD Single : A 36 TYR OH : rot -160:sc= 1.23 USER MOD Single : A 38 MET CE :methyl -136:sc= -3.73 (180deg=-7.37!) USER MOD Single : A 42 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0156) USER MOD Single : A 47 THR OG1 : rot -80:sc= -0.0292 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot -66:sc= 1.02 USER MOD Single : A 59 SER OG : rot 71:sc= 0.00776 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 166:sc= -0.0756 (180deg=-0.367) USER MOD Single : A 72 GLN : amide:sc= -0.788 X(o=-0.79,f=-1.3) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.195 F(o=-1.4,f=-0.2) USER MOD Single : A 77 HIS : no HD1:sc= -0.115 X(o=-0.12,f=-0.11) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 169:sc= -0.359 (180deg=-0.585) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.0496 K(o=-0.05,f=-1.1) USER MOD Single : A 102 SER OG : rot -90:sc= -0.103 USER MOD Single : A 108 CYS SG : rot 37:sc= -0.0123 USER MOD Single : A 109 TYR OH : rot -28:sc= -0.0553 USER MOD Single : A 121 ASN : amide:sc= -0.0417 X(o=-0.042,f=-0.3) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 100:sc= -0.854 USER MOD Single : A 125 HIS : no HE2:sc= -1.38 X(o=-1.4,f=-1.4) USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N ASP A 7 -6.947 7.205 5.661 1.00 22.03 N ATOM 84 CA ASP A 7 -7.712 6.207 6.400 1.00 52.14 C ATOM 85 C ASP A 7 -8.305 5.167 5.453 1.00 3.44 C ATOM 86 O ASP A 7 -9.057 4.287 5.874 1.00 40.24 O ATOM 87 CB ASP A 7 -8.828 6.880 7.201 1.00 23.43 C ATOM 88 CG ASP A 7 -10.208 6.438 6.756 1.00 21.31 C ATOM 89 OD1 ASP A 7 -10.736 7.026 5.789 1.00 24.14 O ATOM 90 OD2 ASP A 7 -10.761 5.504 7.375 1.00 2.20 O ATOM 0 HA ASP A 7 -7.035 5.702 7.089 1.00 52.14 H new ATOM 0 HB2 ASP A 7 -8.700 6.652 8.259 1.00 23.43 H new ATOM 0 HB3 ASP A 7 -8.745 7.962 7.096 1.00 23.43 H new ATOM 95 N LEU A 8 -7.962 5.275 4.175 1.00 43.44 N ATOM 96 CA LEU A 8 -8.460 4.345 3.168 1.00 53.14 C ATOM 97 C LEU A 8 -8.190 2.901 3.579 1.00 41.33 C ATOM 98 O LEU A 8 -8.924 1.988 3.198 1.00 11.24 O ATOM 99 CB LEU A 8 -7.810 4.632 1.813 1.00 1.12 C ATOM 100 CG LEU A 8 -8.735 5.185 0.728 1.00 4.12 C ATOM 101 CD1 LEU A 8 -7.932 5.611 -0.491 1.00 61.43 C ATOM 102 CD2 LEU A 8 -9.784 4.152 0.344 1.00 20.04 C ATOM 0 H LEU A 8 -7.341 5.998 3.811 1.00 43.44 H new ATOM 0 HA LEU A 8 -9.538 4.484 3.083 1.00 53.14 H new ATOM 0 HB2 LEU A 8 -6.997 5.342 1.966 1.00 1.12 H new ATOM 0 HB3 LEU A 8 -7.362 3.709 1.445 1.00 1.12 H new ATOM 0 HG LEU A 8 -9.246 6.062 1.125 1.00 4.12 H new ATOM 0 HD11 LEU A 8 -8.607 6.002 -1.253 1.00 61.43 H new ATOM 0 HD12 LEU A 8 -7.220 6.385 -0.205 1.00 61.43 H new ATOM 0 HD13 LEU A 8 -7.393 4.752 -0.890 1.00 61.43 H new ATOM 0 HD21 LEU A 8 -10.433 4.563 -0.429 1.00 20.04 H new ATOM 0 HD22 LEU A 8 -9.291 3.256 -0.034 1.00 20.04 H new ATOM 0 HD23 LEU A 8 -10.380 3.896 1.220 1.00 20.04 H new ATOM 114 N LEU A 9 -7.133 2.702 4.359 1.00 74.11 N ATOM 115 CA LEU A 9 -6.767 1.369 4.824 1.00 22.24 C ATOM 116 C LEU A 9 -7.024 1.225 6.321 1.00 70.20 C ATOM 117 O LEU A 9 -7.114 2.207 7.058 1.00 43.12 O ATOM 118 CB LEU A 9 -5.295 1.087 4.519 1.00 4.50 C ATOM 119 CG LEU A 9 -4.342 2.276 4.654 1.00 20.14 C ATOM 120 CD1 LEU A 9 -4.526 3.242 3.495 1.00 41.33 C ATOM 121 CD2 LEU A 9 -4.561 2.986 5.983 1.00 65.05 C ATOM 0 H LEU A 9 -6.515 3.446 4.682 1.00 74.11 H new ATOM 0 HA LEU A 9 -7.387 0.644 4.296 1.00 22.24 H new ATOM 0 HB2 LEU A 9 -4.952 0.295 5.184 1.00 4.50 H new ATOM 0 HB3 LEU A 9 -5.223 0.703 3.502 1.00 4.50 H new ATOM 0 HG LEU A 9 -3.319 1.902 4.629 1.00 20.14 H new ATOM 0 HD11 LEU A 9 -3.840 4.081 3.608 1.00 41.33 H new ATOM 0 HD12 LEU A 9 -4.319 2.728 2.556 1.00 41.33 H new ATOM 0 HD13 LEU A 9 -5.552 3.611 3.488 1.00 41.33 H new ATOM 0 HD21 LEU A 9 -3.875 3.829 6.062 1.00 65.05 H new ATOM 0 HD22 LEU A 9 -5.588 3.347 6.038 1.00 65.05 H new ATOM 0 HD23 LEU A 9 -4.377 2.290 6.802 1.00 65.05 H new ATOM 133 N PRO A 10 -7.144 -0.029 6.783 1.00 3.42 N ATOM 134 CA PRO A 10 -7.389 -0.331 8.196 1.00 32.24 C ATOM 135 C PRO A 10 -6.182 -0.018 9.074 1.00 34.23 C ATOM 136 O PRO A 10 -5.087 0.265 8.588 1.00 73.00 O ATOM 137 CB PRO A 10 -7.672 -1.835 8.193 1.00 34.51 C ATOM 138 CG PRO A 10 -6.974 -2.350 6.982 1.00 53.34 C ATOM 139 CD PRO A 10 -7.048 -1.247 5.962 1.00 71.12 C ATOM 0 HA PRO A 10 -8.201 0.269 8.606 1.00 32.24 H new ATOM 0 HB2 PRO A 10 -7.296 -2.310 9.099 1.00 34.51 H new ATOM 0 HB3 PRO A 10 -8.742 -2.036 8.148 1.00 34.51 H new ATOM 0 HG2 PRO A 10 -5.938 -2.605 7.207 1.00 53.34 H new ATOM 0 HG3 PRO A 10 -7.452 -3.257 6.612 1.00 53.34 H new ATOM 0 HD2 PRO A 10 -6.166 -1.232 5.322 1.00 71.12 H new ATOM 0 HD3 PRO A 10 -7.913 -1.361 5.309 1.00 71.12 H new ATOM 147 N PRO A 11 -6.384 -0.070 10.399 1.00 31.23 N ATOM 148 CA PRO A 11 -5.323 0.204 11.373 1.00 60.20 C ATOM 149 C PRO A 11 -4.259 -0.888 11.393 1.00 22.23 C ATOM 150 O PRO A 11 -3.229 -0.750 12.052 1.00 64.52 O ATOM 151 CB PRO A 11 -6.070 0.248 12.708 1.00 23.35 C ATOM 152 CG PRO A 11 -7.283 -0.589 12.492 1.00 71.03 C ATOM 153 CD PRO A 11 -7.663 -0.401 11.049 1.00 34.11 C ATOM 0 HA PRO A 11 -4.783 1.122 11.141 1.00 60.20 H new ATOM 0 HB2 PRO A 11 -5.456 -0.146 13.518 1.00 23.35 H new ATOM 0 HB3 PRO A 11 -6.337 1.270 12.979 1.00 23.35 H new ATOM 0 HG2 PRO A 11 -7.078 -1.637 12.708 1.00 71.03 H new ATOM 0 HG3 PRO A 11 -8.093 -0.280 13.153 1.00 71.03 H new ATOM 0 HD2 PRO A 11 -8.105 -1.305 10.629 1.00 34.11 H new ATOM 0 HD3 PRO A 11 -8.394 0.398 10.927 1.00 34.11 H new ATOM 161 N GLU A 12 -4.516 -1.972 10.668 1.00 65.04 N ATOM 162 CA GLU A 12 -3.578 -3.087 10.604 1.00 74.41 C ATOM 163 C GLU A 12 -2.391 -2.750 9.706 1.00 33.04 C ATOM 164 O GLU A 12 -1.242 -3.031 10.046 1.00 44.11 O ATOM 165 CB GLU A 12 -4.282 -4.344 10.087 1.00 24.30 C ATOM 166 CG GLU A 12 -5.562 -4.676 10.834 1.00 33.03 C ATOM 167 CD GLU A 12 -5.334 -4.885 12.319 1.00 53.42 C ATOM 168 OE1 GLU A 12 -4.331 -5.535 12.679 1.00 64.15 O ATOM 169 OE2 GLU A 12 -6.159 -4.398 13.120 1.00 22.24 O ATOM 0 H GLU A 12 -5.365 -2.102 10.117 1.00 65.04 H new ATOM 0 HA GLU A 12 -3.207 -3.274 11.611 1.00 74.41 H new ATOM 0 HB2 GLU A 12 -4.512 -4.212 9.030 1.00 24.30 H new ATOM 0 HB3 GLU A 12 -3.598 -5.190 10.161 1.00 24.30 H new ATOM 0 HG2 GLU A 12 -6.281 -3.870 10.691 1.00 33.03 H new ATOM 0 HG3 GLU A 12 -6.004 -5.577 10.408 1.00 33.03 H new ATOM 176 N LYS A 13 -2.678 -2.146 8.558 1.00 31.12 N ATOM 177 CA LYS A 13 -1.636 -1.769 7.610 1.00 13.34 C ATOM 178 C LYS A 13 -1.255 -0.301 7.777 1.00 23.41 C ATOM 179 O LYS A 13 -0.218 0.140 7.282 1.00 10.02 O ATOM 180 CB LYS A 13 -2.106 -2.025 6.176 1.00 4.15 C ATOM 181 CG LYS A 13 -1.172 -1.458 5.121 1.00 54.03 C ATOM 182 CD LYS A 13 -1.636 -0.092 4.642 1.00 72.52 C ATOM 183 CE LYS A 13 -0.669 0.501 3.630 1.00 44.44 C ATOM 184 NZ LYS A 13 -0.391 -0.440 2.510 1.00 45.03 N ATOM 0 H LYS A 13 -3.624 -1.907 8.261 1.00 31.12 H new ATOM 0 HA LYS A 13 -0.756 -2.380 7.812 1.00 13.34 H new ATOM 0 HB2 LYS A 13 -2.206 -3.099 6.021 1.00 4.15 H new ATOM 0 HB3 LYS A 13 -3.097 -1.590 6.044 1.00 4.15 H new ATOM 0 HG2 LYS A 13 -0.165 -1.378 5.530 1.00 54.03 H new ATOM 0 HG3 LYS A 13 -1.119 -2.143 4.275 1.00 54.03 H new ATOM 0 HD2 LYS A 13 -2.626 -0.179 4.193 1.00 72.52 H new ATOM 0 HD3 LYS A 13 -1.731 0.581 5.494 1.00 72.52 H new ATOM 0 HE2 LYS A 13 -1.083 1.427 3.232 1.00 44.44 H new ATOM 0 HE3 LYS A 13 0.266 0.758 4.128 1.00 44.44 H new ATOM 0 HZ1 LYS A 13 0.072 0.073 1.733 1.00 45.03 H new ATOM 0 HZ2 LYS A 13 0.234 -1.201 2.843 1.00 45.03 H new ATOM 0 HZ3 LYS A 13 -1.285 -0.849 2.171 1.00 45.03 H new ATOM 198 N ALA A 14 -2.098 0.449 8.478 1.00 34.12 N ATOM 199 CA ALA A 14 -1.847 1.865 8.713 1.00 51.31 C ATOM 200 C ALA A 14 -0.637 2.065 9.619 1.00 12.43 C ATOM 201 O ALA A 14 0.058 3.078 9.529 1.00 31.43 O ATOM 202 CB ALA A 14 -3.077 2.526 9.317 1.00 1.53 C ATOM 0 H ALA A 14 -2.961 0.099 8.893 1.00 34.12 H new ATOM 0 HA ALA A 14 -1.631 2.335 7.753 1.00 51.31 H new ATOM 0 HB1 ALA A 14 -2.875 3.584 9.487 1.00 1.53 H new ATOM 0 HB2 ALA A 14 -3.919 2.423 8.632 1.00 1.53 H new ATOM 0 HB3 ALA A 14 -3.320 2.046 10.265 1.00 1.53 H new ATOM 208 N PHE A 15 -0.391 1.095 10.493 1.00 34.21 N ATOM 209 CA PHE A 15 0.734 1.166 11.418 1.00 61.53 C ATOM 210 C PHE A 15 1.779 0.105 11.084 1.00 22.13 C ATOM 211 O PHE A 15 1.450 -1.062 10.871 1.00 51.14 O ATOM 212 CB PHE A 15 0.250 0.986 12.858 1.00 23.21 C ATOM 213 CG PHE A 15 -0.965 1.804 13.189 1.00 72.14 C ATOM 214 CD1 PHE A 15 -1.025 3.147 12.852 1.00 31.23 C ATOM 215 CD2 PHE A 15 -2.048 1.230 13.835 1.00 10.11 C ATOM 216 CE1 PHE A 15 -2.142 3.902 13.156 1.00 31.11 C ATOM 217 CE2 PHE A 15 -3.168 1.980 14.141 1.00 10.21 C ATOM 218 CZ PHE A 15 -3.215 3.318 13.800 1.00 33.31 C ATOM 0 H PHE A 15 -0.956 0.250 10.580 1.00 34.21 H new ATOM 0 HA PHE A 15 1.194 2.149 11.317 1.00 61.53 H new ATOM 0 HB2 PHE A 15 0.027 -0.067 13.029 1.00 23.21 H new ATOM 0 HB3 PHE A 15 1.056 1.255 13.540 1.00 23.21 H new ATOM 0 HD1 PHE A 15 -0.190 3.609 12.346 1.00 31.23 H new ATOM 0 HD2 PHE A 15 -2.017 0.184 14.103 1.00 10.11 H new ATOM 0 HE1 PHE A 15 -2.176 4.948 12.890 1.00 31.11 H new ATOM 0 HE2 PHE A 15 -4.005 1.521 14.646 1.00 10.21 H new ATOM 0 HZ PHE A 15 -4.089 3.906 14.037 1.00 33.31 H new ATOM 228 N VAL A 16 3.041 0.520 11.041 1.00 65.50 N ATOM 229 CA VAL A 16 4.136 -0.394 10.734 1.00 10.52 C ATOM 230 C VAL A 16 5.184 -0.387 11.841 1.00 10.24 C ATOM 231 O VAL A 16 6.207 0.293 11.758 1.00 62.33 O ATOM 232 CB VAL A 16 4.813 -0.030 9.399 1.00 0.24 C ATOM 233 CG1 VAL A 16 5.849 -1.078 9.023 1.00 5.42 C ATOM 234 CG2 VAL A 16 3.773 0.123 8.299 1.00 24.34 C ATOM 0 H VAL A 16 3.331 1.482 11.215 1.00 65.50 H new ATOM 0 HA VAL A 16 3.703 -1.391 10.654 1.00 10.52 H new ATOM 0 HB VAL A 16 5.325 0.925 9.519 1.00 0.24 H new ATOM 0 HG11 VAL A 16 6.317 -0.804 8.077 1.00 5.42 H new ATOM 0 HG12 VAL A 16 6.610 -1.133 9.802 1.00 5.42 H new ATOM 0 HG13 VAL A 16 5.364 -2.049 8.920 1.00 5.42 H new ATOM 0 HG21 VAL A 16 4.269 0.380 7.363 1.00 24.34 H new ATOM 0 HG22 VAL A 16 3.232 -0.815 8.177 1.00 24.34 H new ATOM 0 HG23 VAL A 16 3.073 0.914 8.568 1.00 24.34 H new ATOM 244 N PRO A 17 4.926 -1.162 12.905 1.00 15.44 N ATOM 245 CA PRO A 17 5.835 -1.263 14.050 1.00 23.33 C ATOM 246 C PRO A 17 7.124 -2.001 13.703 1.00 71.10 C ATOM 247 O PRO A 17 7.106 -2.983 12.962 1.00 24.20 O ATOM 248 CB PRO A 17 5.025 -2.057 15.078 1.00 71.31 C ATOM 249 CG PRO A 17 4.057 -2.849 14.268 1.00 41.54 C ATOM 250 CD PRO A 17 3.725 -1.999 13.072 1.00 4.53 C ATOM 0 HA PRO A 17 6.155 -0.283 14.404 1.00 23.33 H new ATOM 0 HB2 PRO A 17 5.668 -2.706 15.673 1.00 71.31 H new ATOM 0 HB3 PRO A 17 4.510 -1.394 15.774 1.00 71.31 H new ATOM 0 HG2 PRO A 17 4.491 -3.801 13.962 1.00 41.54 H new ATOM 0 HG3 PRO A 17 3.161 -3.078 14.845 1.00 41.54 H new ATOM 0 HD2 PRO A 17 3.533 -2.607 12.188 1.00 4.53 H new ATOM 0 HD3 PRO A 17 2.834 -1.394 13.243 1.00 4.53 H new ATOM 258 N GLU A 18 8.239 -1.521 14.244 1.00 64.03 N ATOM 259 CA GLU A 18 9.537 -2.136 13.990 1.00 72.24 C ATOM 260 C GLU A 18 10.399 -2.128 15.249 1.00 73.42 C ATOM 261 O GLU A 18 10.564 -1.093 15.896 1.00 71.25 O ATOM 262 CB GLU A 18 10.261 -1.403 12.858 1.00 32.32 C ATOM 263 CG GLU A 18 11.134 -2.310 12.007 1.00 41.52 C ATOM 264 CD GLU A 18 11.690 -1.604 10.785 1.00 21.01 C ATOM 265 OE1 GLU A 18 10.886 -1.147 9.946 1.00 3.11 O ATOM 266 OE2 GLU A 18 12.930 -1.509 10.669 1.00 60.13 O ATOM 0 H GLU A 18 8.270 -0.709 14.860 1.00 64.03 H new ATOM 0 HA GLU A 18 9.368 -3.171 13.693 1.00 72.24 H new ATOM 0 HB2 GLU A 18 9.522 -0.919 12.219 1.00 32.32 H new ATOM 0 HB3 GLU A 18 10.879 -0.613 13.285 1.00 32.32 H new ATOM 0 HG2 GLU A 18 11.959 -2.686 12.612 1.00 41.52 H new ATOM 0 HG3 GLU A 18 10.552 -3.175 11.689 1.00 41.52 H new ATOM 273 N LEU A 19 10.945 -3.290 15.591 1.00 4.44 N ATOM 274 CA LEU A 19 11.790 -3.418 16.774 1.00 63.33 C ATOM 275 C LEU A 19 13.264 -3.481 16.386 1.00 41.05 C ATOM 276 O LEU A 19 13.617 -4.013 15.334 1.00 70.52 O ATOM 277 CB LEU A 19 11.406 -4.669 17.566 1.00 61.44 C ATOM 278 CG LEU A 19 11.438 -4.536 19.089 1.00 51.25 C ATOM 279 CD1 LEU A 19 12.866 -4.353 19.579 1.00 71.43 C ATOM 280 CD2 LEU A 19 10.565 -3.374 19.540 1.00 34.44 C ATOM 0 H LEU A 19 10.818 -4.156 15.067 1.00 4.44 H new ATOM 0 HA LEU A 19 11.635 -2.538 17.398 1.00 63.33 H new ATOM 0 HB2 LEU A 19 10.401 -4.968 17.269 1.00 61.44 H new ATOM 0 HB3 LEU A 19 12.078 -5.477 17.278 1.00 61.44 H new ATOM 0 HG LEU A 19 11.041 -5.454 19.524 1.00 51.25 H new ATOM 0 HD11 LEU A 19 12.869 -4.260 20.665 1.00 71.43 H new ATOM 0 HD12 LEU A 19 13.464 -5.216 19.287 1.00 71.43 H new ATOM 0 HD13 LEU A 19 13.290 -3.451 19.137 1.00 71.43 H new ATOM 0 HD21 LEU A 19 10.599 -3.294 20.626 1.00 34.44 H new ATOM 0 HD22 LEU A 19 10.933 -2.449 19.096 1.00 34.44 H new ATOM 0 HD23 LEU A 19 9.537 -3.546 19.221 1.00 34.44 H new ATOM 292 N ALA A 20 14.120 -2.935 17.243 1.00 22.21 N ATOM 293 CA ALA A 20 15.556 -2.933 16.992 1.00 0.10 C ATOM 294 C ALA A 20 16.342 -2.944 18.299 1.00 51.42 C ATOM 295 O ALA A 20 16.436 -1.927 18.986 1.00 4.15 O ATOM 296 CB ALA A 20 15.943 -1.725 16.151 1.00 32.22 C ATOM 0 H ALA A 20 13.844 -2.488 18.117 1.00 22.21 H new ATOM 0 HA ALA A 20 15.805 -3.840 16.441 1.00 0.10 H new ATOM 0 HB1 ALA A 20 17.018 -1.736 15.971 1.00 32.22 H new ATOM 0 HB2 ALA A 20 15.415 -1.761 15.198 1.00 32.22 H new ATOM 0 HB3 ALA A 20 15.673 -0.811 16.681 1.00 32.22 H new ATOM 302 N VAL A 21 16.904 -4.100 18.637 1.00 50.15 N ATOM 303 CA VAL A 21 17.682 -4.243 19.861 1.00 3.21 C ATOM 304 C VAL A 21 19.072 -3.636 19.703 1.00 61.31 C ATOM 305 O VAL A 21 19.723 -3.810 18.673 1.00 73.31 O ATOM 306 CB VAL A 21 17.823 -5.722 20.268 1.00 52.25 C ATOM 307 CG1 VAL A 21 18.744 -5.860 21.470 1.00 32.02 C ATOM 308 CG2 VAL A 21 16.457 -6.326 20.559 1.00 44.21 C ATOM 0 H VAL A 21 16.835 -4.951 18.080 1.00 50.15 H new ATOM 0 HA VAL A 21 17.142 -3.709 20.643 1.00 3.21 H new ATOM 0 HB VAL A 21 18.267 -6.269 19.437 1.00 52.25 H new ATOM 0 HG11 VAL A 21 18.831 -6.912 21.743 1.00 32.02 H new ATOM 0 HG12 VAL A 21 19.730 -5.467 21.220 1.00 32.02 H new ATOM 0 HG13 VAL A 21 18.332 -5.300 22.310 1.00 32.02 H new ATOM 0 HG21 VAL A 21 16.575 -7.371 20.845 1.00 44.21 H new ATOM 0 HG22 VAL A 21 15.983 -5.778 21.373 1.00 44.21 H new ATOM 0 HG23 VAL A 21 15.833 -6.262 19.667 1.00 44.21 H new ATOM 318 N ALA A 22 19.521 -2.924 20.731 1.00 43.11 N ATOM 319 CA ALA A 22 20.835 -2.294 20.707 1.00 3.53 C ATOM 320 C ALA A 22 21.678 -2.735 21.899 1.00 33.52 C ATOM 321 O ALA A 22 21.246 -3.560 22.705 1.00 12.10 O ATOM 322 CB ALA A 22 20.694 -0.779 20.691 1.00 12.34 C ATOM 0 H ALA A 22 18.994 -2.769 21.591 1.00 43.11 H new ATOM 0 HA ALA A 22 21.345 -2.611 19.797 1.00 3.53 H new ATOM 0 HB1 ALA A 22 21.683 -0.322 20.673 1.00 12.34 H new ATOM 0 HB2 ALA A 22 20.138 -0.475 19.805 1.00 12.34 H new ATOM 0 HB3 ALA A 22 20.160 -0.454 21.584 1.00 12.34 H new ATOM 328 N ASP A 23 22.881 -2.183 22.004 1.00 1.13 N ATOM 329 CA ASP A 23 23.784 -2.520 23.099 1.00 63.05 C ATOM 330 C ASP A 23 23.565 -1.593 24.290 1.00 55.11 C ATOM 331 O ASP A 23 23.973 -1.898 25.410 1.00 22.24 O ATOM 332 CB ASP A 23 25.239 -2.436 22.632 1.00 15.32 C ATOM 333 CG ASP A 23 26.134 -3.428 23.348 1.00 44.43 C ATOM 334 OD1 ASP A 23 26.148 -4.610 22.948 1.00 74.33 O ATOM 335 OD2 ASP A 23 26.822 -3.021 24.308 1.00 32.42 O ATOM 0 H ASP A 23 23.254 -1.500 21.345 1.00 1.13 H new ATOM 0 HA ASP A 23 23.569 -3.541 23.413 1.00 63.05 H new ATOM 0 HB2 ASP A 23 25.284 -2.619 21.558 1.00 15.32 H new ATOM 0 HB3 ASP A 23 25.614 -1.426 22.799 1.00 15.32 H new ATOM 340 N ASP A 24 22.918 -0.460 24.040 1.00 51.24 N ATOM 341 CA ASP A 24 22.644 0.512 25.091 1.00 13.44 C ATOM 342 C ASP A 24 21.143 0.643 25.333 1.00 41.34 C ATOM 343 O ASP A 24 20.687 1.592 25.970 1.00 71.24 O ATOM 344 CB ASP A 24 23.234 1.874 24.723 1.00 4.32 C ATOM 345 CG ASP A 24 24.593 2.106 25.355 1.00 50.02 C ATOM 346 OD1 ASP A 24 25.566 1.453 24.924 1.00 43.42 O ATOM 347 OD2 ASP A 24 24.683 2.939 26.281 1.00 52.42 O ATOM 0 H ASP A 24 22.573 -0.192 23.118 1.00 51.24 H new ATOM 0 HA ASP A 24 23.113 0.158 26.009 1.00 13.44 H new ATOM 0 HB2 ASP A 24 23.323 1.947 23.639 1.00 4.32 H new ATOM 0 HB3 ASP A 24 22.550 2.661 25.040 1.00 4.32 H new ATOM 352 N GLY A 25 20.380 -0.316 24.818 1.00 51.05 N ATOM 353 CA GLY A 25 18.939 -0.288 24.987 1.00 72.55 C ATOM 354 C GLY A 25 18.202 -0.804 23.766 1.00 20.34 C ATOM 355 O GLY A 25 18.817 -1.317 22.831 1.00 21.13 O ATOM 0 H GLY A 25 20.734 -1.112 24.287 1.00 51.05 H new ATOM 0 HA2 GLY A 25 18.666 -0.890 25.854 1.00 72.55 H new ATOM 0 HA3 GLY A 25 18.620 0.733 25.195 1.00 72.55 H new ATOM 359 N VAL A 26 16.880 -0.670 23.775 1.00 75.30 N ATOM 360 CA VAL A 26 16.058 -1.127 22.661 1.00 75.22 C ATOM 361 C VAL A 26 15.331 0.039 21.999 1.00 25.23 C ATOM 362 O VAL A 26 14.804 0.919 22.677 1.00 15.20 O ATOM 363 CB VAL A 26 15.021 -2.170 23.119 1.00 53.11 C ATOM 364 CG1 VAL A 26 14.226 -2.690 21.931 1.00 31.51 C ATOM 365 CG2 VAL A 26 15.704 -3.312 23.855 1.00 30.15 C ATOM 0 H VAL A 26 16.355 -0.249 24.541 1.00 75.30 H new ATOM 0 HA VAL A 26 16.732 -1.588 21.939 1.00 75.22 H new ATOM 0 HB VAL A 26 14.326 -1.688 23.807 1.00 53.11 H new ATOM 0 HG11 VAL A 26 13.499 -3.426 22.274 1.00 31.51 H new ATOM 0 HG12 VAL A 26 13.705 -1.861 21.451 1.00 31.51 H new ATOM 0 HG13 VAL A 26 14.904 -3.156 21.216 1.00 31.51 H new ATOM 0 HG21 VAL A 26 14.957 -4.040 24.171 1.00 30.15 H new ATOM 0 HG22 VAL A 26 16.422 -3.794 23.192 1.00 30.15 H new ATOM 0 HG23 VAL A 26 16.224 -2.922 24.730 1.00 30.15 H new ATOM 375 N ASN A 27 15.309 0.037 20.670 1.00 12.24 N ATOM 376 CA ASN A 27 14.647 1.096 19.916 1.00 62.40 C ATOM 377 C ASN A 27 13.511 0.531 19.069 1.00 72.11 C ATOM 378 O ASN A 27 13.681 -0.466 18.367 1.00 22.22 O ATOM 379 CB ASN A 27 15.655 1.819 19.020 1.00 22.34 C ATOM 380 CG ASN A 27 16.264 3.031 19.697 1.00 2.44 C ATOM 381 OD1 ASN A 27 17.067 2.902 20.622 1.00 15.32 O ATOM 382 ND2 ASN A 27 15.884 4.218 19.238 1.00 3.14 N ATOM 0 H ASN A 27 15.741 -0.685 20.094 1.00 12.24 H new ATOM 0 HA ASN A 27 14.228 1.807 20.627 1.00 62.40 H new ATOM 0 HB2 ASN A 27 16.448 1.127 18.738 1.00 22.34 H new ATOM 0 HB3 ASN A 27 15.161 2.130 18.099 1.00 22.34 H new ATOM 0 HD21 ASN A 27 16.260 5.070 19.654 1.00 3.14 H new ATOM 0 HD22 ASN A 27 15.216 4.278 18.469 1.00 3.14 H new ATOM 389 N VAL A 28 12.351 1.176 19.139 1.00 13.11 N ATOM 390 CA VAL A 28 11.186 0.740 18.378 1.00 42.02 C ATOM 391 C VAL A 28 10.543 1.909 17.640 1.00 35.14 C ATOM 392 O VAL A 28 10.271 2.955 18.231 1.00 63.35 O ATOM 393 CB VAL A 28 10.134 0.081 19.290 1.00 63.35 C ATOM 394 CG1 VAL A 28 9.704 1.040 20.389 1.00 71.22 C ATOM 395 CG2 VAL A 28 8.936 -0.380 18.473 1.00 22.13 C ATOM 0 H VAL A 28 12.193 2.003 19.715 1.00 13.11 H new ATOM 0 HA VAL A 28 11.538 0.006 17.653 1.00 42.02 H new ATOM 0 HB VAL A 28 10.582 -0.794 19.761 1.00 63.35 H new ATOM 0 HG11 VAL A 28 8.961 0.557 21.023 1.00 71.22 H new ATOM 0 HG12 VAL A 28 10.570 1.316 20.991 1.00 71.22 H new ATOM 0 HG13 VAL A 28 9.273 1.936 19.942 1.00 71.22 H new ATOM 0 HG21 VAL A 28 8.202 -0.843 19.133 1.00 22.13 H new ATOM 0 HG22 VAL A 28 8.485 0.477 17.973 1.00 22.13 H new ATOM 0 HG23 VAL A 28 9.262 -1.105 17.727 1.00 22.13 H new ATOM 405 N ARG A 29 10.300 1.724 16.347 1.00 61.12 N ATOM 406 CA ARG A 29 9.688 2.763 15.528 1.00 44.41 C ATOM 407 C ARG A 29 8.487 2.216 14.763 1.00 41.14 C ATOM 408 O ARG A 29 8.562 1.152 14.147 1.00 10.33 O ATOM 409 CB ARG A 29 10.712 3.339 14.547 1.00 22.45 C ATOM 410 CG ARG A 29 10.143 4.409 13.630 1.00 31.43 C ATOM 411 CD ARG A 29 9.748 3.832 12.280 1.00 73.12 C ATOM 412 NE ARG A 29 10.906 3.611 11.419 1.00 64.32 N ATOM 413 CZ ARG A 29 10.929 2.723 10.431 1.00 40.12 C ATOM 414 NH1 ARG A 29 9.861 1.978 10.180 1.00 64.00 N ATOM 415 NH2 ARG A 29 12.021 2.580 9.691 1.00 61.21 N ATOM 0 H ARG A 29 10.518 0.864 15.844 1.00 61.12 H new ATOM 0 HA ARG A 29 9.344 3.557 16.191 1.00 44.41 H new ATOM 0 HB2 ARG A 29 11.545 3.761 15.110 1.00 22.45 H new ATOM 0 HB3 ARG A 29 11.116 2.529 13.939 1.00 22.45 H new ATOM 0 HG2 ARG A 29 9.273 4.867 14.100 1.00 31.43 H new ATOM 0 HG3 ARG A 29 10.881 5.198 13.488 1.00 31.43 H new ATOM 0 HD2 ARG A 29 9.222 2.889 12.429 1.00 73.12 H new ATOM 0 HD3 ARG A 29 9.053 4.510 11.785 1.00 73.12 H new ATOM 0 HE ARG A 29 11.744 4.169 11.585 1.00 64.32 H new ATOM 0 HH11 ARG A 29 9.019 2.086 10.746 1.00 64.00 H new ATOM 0 HH12 ARG A 29 9.881 1.297 9.421 1.00 64.00 H new ATOM 0 HH21 ARG A 29 12.844 3.152 9.880 1.00 61.21 H new ATOM 0 HH22 ARG A 29 12.038 1.898 8.933 1.00 61.21 H new ATOM 429 N PHE A 30 7.380 2.950 14.806 1.00 41.02 N ATOM 430 CA PHE A 30 6.162 2.538 14.118 1.00 62.30 C ATOM 431 C PHE A 30 5.692 3.619 13.149 1.00 21.21 C ATOM 432 O PHE A 30 5.435 4.755 13.547 1.00 33.14 O ATOM 433 CB PHE A 30 5.058 2.230 15.132 1.00 51.34 C ATOM 434 CG PHE A 30 5.368 2.712 16.520 1.00 31.21 C ATOM 435 CD1 PHE A 30 6.205 1.983 17.349 1.00 2.15 C ATOM 436 CD2 PHE A 30 4.822 3.893 16.996 1.00 44.21 C ATOM 437 CE1 PHE A 30 6.491 2.424 18.628 1.00 62.51 C ATOM 438 CE2 PHE A 30 5.105 4.339 18.273 1.00 23.03 C ATOM 439 CZ PHE A 30 5.942 3.604 19.090 1.00 73.51 C ATOM 0 H PHE A 30 7.301 3.833 15.310 1.00 41.02 H new ATOM 0 HA PHE A 30 6.384 1.636 13.548 1.00 62.30 H new ATOM 0 HB2 PHE A 30 4.128 2.689 14.796 1.00 51.34 H new ATOM 0 HB3 PHE A 30 4.890 1.153 15.159 1.00 51.34 H new ATOM 0 HD1 PHE A 30 6.639 1.060 16.993 1.00 2.15 H new ATOM 0 HD2 PHE A 30 4.167 4.472 16.361 1.00 44.21 H new ATOM 0 HE1 PHE A 30 7.144 1.846 19.265 1.00 62.51 H new ATOM 0 HE2 PHE A 30 4.672 5.261 18.632 1.00 23.03 H new ATOM 0 HZ PHE A 30 6.167 3.951 20.088 1.00 73.51 H new ATOM 449 N ARG A 31 5.583 3.257 11.875 1.00 25.51 N ATOM 450 CA ARG A 31 5.147 4.195 10.849 1.00 74.05 C ATOM 451 C ARG A 31 3.624 4.220 10.747 1.00 63.31 C ATOM 452 O ARG A 31 2.999 3.217 10.399 1.00 4.33 O ATOM 453 CB ARG A 31 5.753 3.821 9.495 1.00 52.34 C ATOM 454 CG ARG A 31 7.237 3.501 9.559 1.00 21.35 C ATOM 455 CD ARG A 31 7.923 3.764 8.228 1.00 12.40 C ATOM 456 NE ARG A 31 9.262 4.320 8.403 1.00 51.43 N ATOM 457 CZ ARG A 31 9.495 5.583 8.744 1.00 73.03 C ATOM 458 NH1 ARG A 31 8.483 6.416 8.946 1.00 21.20 N ATOM 459 NH2 ARG A 31 10.742 6.015 8.883 1.00 33.44 N ATOM 0 H ARG A 31 5.791 2.320 11.529 1.00 25.51 H new ATOM 0 HA ARG A 31 5.492 5.190 11.132 1.00 74.05 H new ATOM 0 HB2 ARG A 31 5.221 2.958 9.094 1.00 52.34 H new ATOM 0 HB3 ARG A 31 5.597 4.644 8.797 1.00 52.34 H new ATOM 0 HG2 ARG A 31 7.707 4.103 10.337 1.00 21.35 H new ATOM 0 HG3 ARG A 31 7.373 2.456 9.839 1.00 21.35 H new ATOM 0 HD2 ARG A 31 7.988 2.834 7.663 1.00 12.40 H new ATOM 0 HD3 ARG A 31 7.318 4.453 7.639 1.00 12.40 H new ATOM 0 HE ARG A 31 10.062 3.705 8.255 1.00 51.43 H new ATOM 0 HH11 ARG A 31 7.523 6.088 8.840 1.00 21.20 H new ATOM 0 HH12 ARG A 31 8.665 7.385 9.208 1.00 21.20 H new ATOM 0 HH21 ARG A 31 11.523 5.377 8.728 1.00 33.44 H new ATOM 0 HH22 ARG A 31 10.920 6.985 9.145 1.00 33.44 H new ATOM 473 N ILE A 32 3.035 5.371 11.053 1.00 73.53 N ATOM 474 CA ILE A 32 1.587 5.525 10.995 1.00 15.32 C ATOM 475 C ILE A 32 1.154 6.166 9.681 1.00 71.34 C ATOM 476 O ILE A 32 1.862 7.005 9.125 1.00 71.24 O ATOM 477 CB ILE A 32 1.065 6.380 12.166 1.00 73.34 C ATOM 478 CG1 ILE A 32 1.344 5.682 13.499 1.00 55.34 C ATOM 479 CG2 ILE A 32 -0.424 6.648 12.003 1.00 20.10 C ATOM 480 CD1 ILE A 32 1.944 6.596 14.544 1.00 31.44 C ATOM 0 H ILE A 32 3.538 6.210 11.343 1.00 73.53 H new ATOM 0 HA ILE A 32 1.160 4.525 11.066 1.00 15.32 H new ATOM 0 HB ILE A 32 1.589 7.336 12.161 1.00 73.34 H new ATOM 0 HG12 ILE A 32 0.413 5.265 13.884 1.00 55.34 H new ATOM 0 HG13 ILE A 32 2.021 4.845 13.327 1.00 55.34 H new ATOM 0 HG21 ILE A 32 -0.778 7.253 12.838 1.00 20.10 H new ATOM 0 HG22 ILE A 32 -0.597 7.182 11.069 1.00 20.10 H new ATOM 0 HG23 ILE A 32 -0.964 5.701 11.986 1.00 20.10 H new ATOM 0 HD11 ILE A 32 2.115 6.035 15.463 1.00 31.44 H new ATOM 0 HD12 ILE A 32 2.891 6.993 14.179 1.00 31.44 H new ATOM 0 HD13 ILE A 32 1.258 7.419 14.744 1.00 31.44 H new ATOM 492 N ALA A 33 -0.014 5.765 9.190 1.00 54.01 N ATOM 493 CA ALA A 33 -0.544 6.302 7.943 1.00 43.44 C ATOM 494 C ALA A 33 -0.815 7.798 8.061 1.00 51.42 C ATOM 495 O ALA A 33 -1.149 8.295 9.137 1.00 50.35 O ATOM 496 CB ALA A 33 -1.813 5.563 7.546 1.00 13.53 C ATOM 0 H ALA A 33 -0.611 5.070 9.637 1.00 54.01 H new ATOM 0 HA ALA A 33 0.206 6.155 7.166 1.00 43.44 H new ATOM 0 HB1 ALA A 33 -2.197 5.975 6.613 1.00 13.53 H new ATOM 0 HB2 ALA A 33 -1.590 4.505 7.411 1.00 13.53 H new ATOM 0 HB3 ALA A 33 -2.562 5.679 8.329 1.00 13.53 H new ATOM 502 N ASP A 34 -0.669 8.511 6.949 1.00 22.12 N ATOM 503 CA ASP A 34 -0.899 9.951 6.928 1.00 24.22 C ATOM 504 C ASP A 34 -2.354 10.274 7.250 1.00 34.41 C ATOM 505 O ASP A 34 -2.696 11.417 7.549 1.00 41.11 O ATOM 506 CB ASP A 34 -0.525 10.529 5.562 1.00 31.42 C ATOM 507 CG ASP A 34 0.601 11.539 5.649 1.00 3.54 C ATOM 508 OD1 ASP A 34 1.514 11.340 6.478 1.00 51.11 O ATOM 509 OD2 ASP A 34 0.570 12.531 4.890 1.00 73.52 O ATOM 0 H ASP A 34 -0.392 8.115 6.051 1.00 22.12 H new ATOM 0 HA ASP A 34 -0.268 10.406 7.691 1.00 24.22 H new ATOM 0 HB2 ASP A 34 -0.231 9.718 4.896 1.00 31.42 H new ATOM 0 HB3 ASP A 34 -1.401 11.003 5.119 1.00 31.42 H new ATOM 514 N GLY A 35 -3.209 9.257 7.186 1.00 70.02 N ATOM 515 CA GLY A 35 -4.618 9.453 7.472 1.00 52.34 C ATOM 516 C GLY A 35 -4.977 9.086 8.898 1.00 52.02 C ATOM 517 O GLY A 35 -6.150 9.101 9.274 1.00 65.03 O ATOM 0 H GLY A 35 -2.950 8.301 6.941 1.00 70.02 H new ATOM 0 HA2 GLY A 35 -4.881 10.495 7.291 1.00 52.34 H new ATOM 0 HA3 GLY A 35 -5.212 8.851 6.785 1.00 52.34 H new ATOM 521 N TYR A 36 -3.967 8.754 9.693 1.00 22.15 N ATOM 522 CA TYR A 36 -4.182 8.377 11.085 1.00 31.24 C ATOM 523 C TYR A 36 -3.254 9.158 12.011 1.00 34.32 C ATOM 524 O TYR A 36 -2.285 9.772 11.564 1.00 75.20 O ATOM 525 CB TYR A 36 -3.958 6.875 11.269 1.00 34.22 C ATOM 526 CG TYR A 36 -5.062 6.022 10.684 1.00 4.24 C ATOM 527 CD1 TYR A 36 -6.336 6.025 11.238 1.00 10.12 C ATOM 528 CD2 TYR A 36 -4.830 5.213 9.579 1.00 4.11 C ATOM 529 CE1 TYR A 36 -7.347 5.247 10.708 1.00 51.22 C ATOM 530 CE2 TYR A 36 -5.835 4.433 9.041 1.00 1.21 C ATOM 531 CZ TYR A 36 -7.092 4.453 9.609 1.00 3.51 C ATOM 532 OH TYR A 36 -8.095 3.677 9.077 1.00 34.10 O ATOM 0 H TYR A 36 -2.991 8.738 9.398 1.00 22.15 H new ATOM 0 HA TYR A 36 -5.213 8.619 11.345 1.00 31.24 H new ATOM 0 HB2 TYR A 36 -3.011 6.598 10.805 1.00 34.22 H new ATOM 0 HB3 TYR A 36 -3.867 6.657 12.333 1.00 34.22 H new ATOM 0 HD1 TYR A 36 -6.539 6.646 12.098 1.00 10.12 H new ATOM 0 HD2 TYR A 36 -3.847 5.194 9.133 1.00 4.11 H new ATOM 0 HE1 TYR A 36 -8.332 5.260 11.152 1.00 51.22 H new ATOM 0 HE2 TYR A 36 -5.638 3.811 8.180 1.00 1.21 H new ATOM 0 HH TYR A 36 -7.702 2.958 8.539 1.00 34.10 H new ATOM 542 N TYR A 37 -3.558 9.129 13.304 1.00 72.51 N ATOM 543 CA TYR A 37 -2.754 9.834 14.294 1.00 2.52 C ATOM 544 C TYR A 37 -2.894 9.190 15.670 1.00 64.53 C ATOM 545 O TYR A 37 -3.998 8.873 16.109 1.00 35.34 O ATOM 546 CB TYR A 37 -3.168 11.305 14.364 1.00 51.32 C ATOM 547 CG TYR A 37 -4.585 11.513 14.849 1.00 2.15 C ATOM 548 CD1 TYR A 37 -4.863 11.653 16.203 1.00 4.55 C ATOM 549 CD2 TYR A 37 -5.646 11.570 13.954 1.00 64.12 C ATOM 550 CE1 TYR A 37 -6.156 11.843 16.652 1.00 65.35 C ATOM 551 CE2 TYR A 37 -6.942 11.760 14.393 1.00 44.33 C ATOM 552 CZ TYR A 37 -7.192 11.896 15.742 1.00 25.44 C ATOM 553 OH TYR A 37 -8.481 12.085 16.185 1.00 43.34 O ATOM 0 H TYR A 37 -4.356 8.624 13.691 1.00 72.51 H new ATOM 0 HA TYR A 37 -1.710 9.770 13.988 1.00 2.52 H new ATOM 0 HB2 TYR A 37 -2.484 11.835 15.027 1.00 51.32 H new ATOM 0 HB3 TYR A 37 -3.062 11.751 13.375 1.00 51.32 H new ATOM 0 HD1 TYR A 37 -4.054 11.613 16.917 1.00 4.55 H new ATOM 0 HD2 TYR A 37 -5.454 11.464 12.896 1.00 64.12 H new ATOM 0 HE1 TYR A 37 -6.354 11.949 17.708 1.00 65.35 H new ATOM 0 HE2 TYR A 37 -7.755 11.802 13.683 1.00 44.33 H new ATOM 0 HH TYR A 37 -9.092 12.099 15.419 1.00 43.34 H new ATOM 563 N MET A 38 -1.764 8.999 16.344 1.00 34.11 N ATOM 564 CA MET A 38 -1.760 8.394 17.671 1.00 60.42 C ATOM 565 C MET A 38 -1.254 9.381 18.717 1.00 15.54 C ATOM 566 O MET A 38 -0.367 10.190 18.444 1.00 21.12 O ATOM 567 CB MET A 38 -0.890 7.135 17.678 1.00 43.42 C ATOM 568 CG MET A 38 -1.387 6.047 16.740 1.00 0.30 C ATOM 569 SD MET A 38 -1.321 4.406 17.483 1.00 25.14 S ATOM 570 CE MET A 38 -0.563 3.466 16.161 1.00 62.44 C ATOM 0 H MET A 38 -0.841 9.254 15.993 1.00 34.11 H new ATOM 0 HA MET A 38 -2.785 8.120 17.921 1.00 60.42 H new ATOM 0 HB2 MET A 38 0.129 7.406 17.400 1.00 43.42 H new ATOM 0 HB3 MET A 38 -0.848 6.738 18.692 1.00 43.42 H new ATOM 0 HG2 MET A 38 -2.413 6.267 16.446 1.00 0.30 H new ATOM 0 HG3 MET A 38 -0.786 6.054 15.831 1.00 0.30 H new ATOM 0 HE1 MET A 38 -1.088 2.518 16.041 1.00 62.44 H new ATOM 0 HE2 MET A 38 -0.621 4.033 15.232 1.00 62.44 H new ATOM 0 HE3 MET A 38 0.482 3.274 16.404 1.00 62.44 H new ATOM 580 N TYR A 39 -1.825 9.311 19.915 1.00 62.00 N ATOM 581 CA TYR A 39 -1.433 10.201 21.001 1.00 15.15 C ATOM 582 C TYR A 39 -0.224 9.649 21.750 1.00 60.35 C ATOM 583 O TYR A 39 -0.219 8.494 22.176 1.00 12.40 O ATOM 584 CB TYR A 39 -2.600 10.400 21.971 1.00 23.11 C ATOM 585 CG TYR A 39 -3.941 10.536 21.286 1.00 65.23 C ATOM 586 CD1 TYR A 39 -4.404 11.776 20.863 1.00 62.45 C ATOM 587 CD2 TYR A 39 -4.745 9.425 21.062 1.00 4.12 C ATOM 588 CE1 TYR A 39 -5.628 11.905 20.237 1.00 75.15 C ATOM 589 CE2 TYR A 39 -5.970 9.545 20.436 1.00 61.33 C ATOM 590 CZ TYR A 39 -6.408 10.787 20.025 1.00 64.40 C ATOM 591 OH TYR A 39 -7.628 10.910 19.402 1.00 53.12 O ATOM 0 H TYR A 39 -2.560 8.647 20.158 1.00 62.00 H new ATOM 0 HA TYR A 39 -1.160 11.163 20.567 1.00 15.15 H new ATOM 0 HB2 TYR A 39 -2.637 9.556 22.659 1.00 23.11 H new ATOM 0 HB3 TYR A 39 -2.415 11.292 22.570 1.00 23.11 H new ATOM 0 HD1 TYR A 39 -3.796 12.654 21.027 1.00 62.45 H new ATOM 0 HD2 TYR A 39 -4.406 8.451 21.383 1.00 4.12 H new ATOM 0 HE1 TYR A 39 -5.973 12.876 19.915 1.00 75.15 H new ATOM 0 HE2 TYR A 39 -6.582 8.671 20.269 1.00 61.33 H new ATOM 0 HH TYR A 39 -8.049 10.028 19.330 1.00 53.12 H new ATOM 601 N GLN A 40 0.799 10.483 21.905 1.00 62.24 N ATOM 602 CA GLN A 40 2.015 10.079 22.601 1.00 72.41 C ATOM 603 C GLN A 40 1.685 9.435 23.943 1.00 33.25 C ATOM 604 O GLN A 40 2.208 8.373 24.279 1.00 72.42 O ATOM 605 CB GLN A 40 2.932 11.285 22.812 1.00 32.40 C ATOM 606 CG GLN A 40 4.410 10.956 22.678 1.00 71.11 C ATOM 607 CD GLN A 40 5.246 12.165 22.307 1.00 15.35 C ATOM 608 OE1 GLN A 40 5.659 12.320 21.158 1.00 23.11 O ATOM 609 NE2 GLN A 40 5.498 13.031 23.282 1.00 44.42 N ATOM 0 H GLN A 40 0.810 11.442 21.558 1.00 62.24 H new ATOM 0 HA GLN A 40 2.530 9.344 21.983 1.00 72.41 H new ATOM 0 HB2 GLN A 40 2.673 12.058 22.089 1.00 32.40 H new ATOM 0 HB3 GLN A 40 2.749 11.701 23.803 1.00 32.40 H new ATOM 0 HG2 GLN A 40 4.773 10.543 23.619 1.00 71.11 H new ATOM 0 HG3 GLN A 40 4.539 10.183 21.920 1.00 71.11 H new ATOM 0 HE21 GLN A 40 5.135 12.862 24.220 1.00 44.42 H new ATOM 0 HE22 GLN A 40 6.054 13.865 23.092 1.00 44.42 H new ATOM 618 N ALA A 41 0.814 10.085 24.708 1.00 53.51 N ATOM 619 CA ALA A 41 0.413 9.576 26.013 1.00 32.52 C ATOM 620 C ALA A 41 -0.246 8.206 25.889 1.00 60.12 C ATOM 621 O ALA A 41 -0.133 7.367 26.783 1.00 2.21 O ATOM 622 CB ALA A 41 -0.529 10.556 26.696 1.00 2.24 C ATOM 0 H ALA A 41 0.372 10.966 24.446 1.00 53.51 H new ATOM 0 HA ALA A 41 1.310 9.466 26.623 1.00 32.52 H new ATOM 0 HB1 ALA A 41 -0.820 10.162 27.670 1.00 2.24 H new ATOM 0 HB2 ALA A 41 -0.025 11.514 26.828 1.00 2.24 H new ATOM 0 HB3 ALA A 41 -1.418 10.695 26.081 1.00 2.24 H new ATOM 628 N LYS A 42 -0.935 7.985 24.775 1.00 54.23 N ATOM 629 CA LYS A 42 -1.613 6.717 24.532 1.00 63.00 C ATOM 630 C LYS A 42 -0.613 5.630 24.151 1.00 44.34 C ATOM 631 O LYS A 42 -0.763 4.472 24.540 1.00 64.34 O ATOM 632 CB LYS A 42 -2.656 6.876 23.424 1.00 51.32 C ATOM 633 CG LYS A 42 -4.031 7.269 23.935 1.00 34.12 C ATOM 634 CD LYS A 42 -3.969 8.516 24.801 1.00 53.22 C ATOM 635 CE LYS A 42 -5.212 9.376 24.630 1.00 74.23 C ATOM 636 NZ LYS A 42 -6.445 8.660 25.059 1.00 74.41 N ATOM 0 H LYS A 42 -1.039 8.668 24.025 1.00 54.23 H new ATOM 0 HA LYS A 42 -2.114 6.419 25.453 1.00 63.00 H new ATOM 0 HB2 LYS A 42 -2.311 7.631 22.717 1.00 51.32 H new ATOM 0 HB3 LYS A 42 -2.736 5.938 22.875 1.00 51.32 H new ATOM 0 HG2 LYS A 42 -4.697 7.444 23.091 1.00 34.12 H new ATOM 0 HG3 LYS A 42 -4.455 6.446 24.510 1.00 34.12 H new ATOM 0 HD2 LYS A 42 -3.865 8.229 25.847 1.00 53.22 H new ATOM 0 HD3 LYS A 42 -3.084 9.097 24.541 1.00 53.22 H new ATOM 0 HE2 LYS A 42 -5.103 10.292 25.211 1.00 74.23 H new ATOM 0 HE3 LYS A 42 -5.308 9.671 23.585 1.00 74.23 H new ATOM 0 HZ1 LYS A 42 -7.255 9.311 25.023 1.00 74.41 H new ATOM 0 HZ2 LYS A 42 -6.619 7.856 24.422 1.00 74.41 H new ATOM 0 HZ3 LYS A 42 -6.324 8.312 26.031 1.00 74.41 H new ATOM 650 N ILE A 43 0.407 6.012 23.389 1.00 3.13 N ATOM 651 CA ILE A 43 1.433 5.070 22.959 1.00 51.25 C ATOM 652 C ILE A 43 2.261 4.580 24.141 1.00 10.05 C ATOM 653 O ILE A 43 2.766 5.377 24.932 1.00 21.14 O ATOM 654 CB ILE A 43 2.373 5.700 21.914 1.00 2.52 C ATOM 655 CG1 ILE A 43 1.589 6.093 20.661 1.00 54.23 C ATOM 656 CG2 ILE A 43 3.496 4.736 21.562 1.00 2.34 C ATOM 657 CD1 ILE A 43 2.089 7.362 20.007 1.00 3.44 C ATOM 0 H ILE A 43 0.545 6.967 23.057 1.00 3.13 H new ATOM 0 HA ILE A 43 0.915 4.224 22.507 1.00 51.25 H new ATOM 0 HB ILE A 43 2.814 6.601 22.341 1.00 2.52 H new ATOM 0 HG12 ILE A 43 1.641 5.278 19.940 1.00 54.23 H new ATOM 0 HG13 ILE A 43 0.539 6.219 20.924 1.00 54.23 H new ATOM 0 HG21 ILE A 43 4.152 5.196 20.822 1.00 2.34 H new ATOM 0 HG22 ILE A 43 4.069 4.502 22.459 1.00 2.34 H new ATOM 0 HG23 ILE A 43 3.073 3.819 21.152 1.00 2.34 H new ATOM 0 HD11 ILE A 43 1.486 7.579 19.125 1.00 3.44 H new ATOM 0 HD12 ILE A 43 2.011 8.190 20.712 1.00 3.44 H new ATOM 0 HD13 ILE A 43 3.130 7.233 19.712 1.00 3.44 H new ATOM 669 N VAL A 44 2.398 3.263 24.256 1.00 72.23 N ATOM 670 CA VAL A 44 3.167 2.665 25.340 1.00 5.34 C ATOM 671 C VAL A 44 4.242 1.729 24.800 1.00 24.35 C ATOM 672 O VAL A 44 4.099 1.161 23.719 1.00 63.52 O ATOM 673 CB VAL A 44 2.260 1.883 26.308 1.00 13.43 C ATOM 674 CG1 VAL A 44 2.999 1.573 27.601 1.00 61.22 C ATOM 675 CG2 VAL A 44 0.984 2.663 26.588 1.00 33.24 C ATOM 0 H VAL A 44 1.986 2.589 23.611 1.00 72.23 H new ATOM 0 HA VAL A 44 3.641 3.484 25.881 1.00 5.34 H new ATOM 0 HB VAL A 44 1.987 0.938 25.839 1.00 13.43 H new ATOM 0 HG11 VAL A 44 2.342 1.020 28.272 1.00 61.22 H new ATOM 0 HG12 VAL A 44 3.881 0.972 27.381 1.00 61.22 H new ATOM 0 HG13 VAL A 44 3.304 2.504 28.078 1.00 61.22 H new ATOM 0 HG21 VAL A 44 0.354 2.096 27.274 1.00 33.24 H new ATOM 0 HG22 VAL A 44 1.236 3.624 27.037 1.00 33.24 H new ATOM 0 HG23 VAL A 44 0.446 2.828 25.654 1.00 33.24 H new ATOM 685 N GLY A 45 5.321 1.572 25.563 1.00 75.12 N ATOM 686 CA GLY A 45 6.405 0.703 25.145 1.00 73.44 C ATOM 687 C GLY A 45 7.430 0.487 26.240 1.00 45.24 C ATOM 688 O GLY A 45 8.118 1.423 26.650 1.00 71.40 O ATOM 0 H GLY A 45 5.463 2.031 26.463 1.00 75.12 H new ATOM 0 HA2 GLY A 45 5.997 -0.260 24.839 1.00 73.44 H new ATOM 0 HA3 GLY A 45 6.896 1.134 24.272 1.00 73.44 H new ATOM 692 N LYS A 46 7.534 -0.749 26.716 1.00 0.23 N ATOM 693 CA LYS A 46 8.483 -1.086 27.771 1.00 12.40 C ATOM 694 C LYS A 46 9.134 -2.439 27.505 1.00 34.35 C ATOM 695 O LYS A 46 8.468 -3.391 27.096 1.00 14.12 O ATOM 696 CB LYS A 46 7.780 -1.103 29.131 1.00 63.45 C ATOM 697 CG LYS A 46 8.707 -1.427 30.290 1.00 40.52 C ATOM 698 CD LYS A 46 8.218 -2.631 31.076 1.00 73.43 C ATOM 699 CE LYS A 46 8.242 -3.896 30.230 1.00 1.43 C ATOM 700 NZ LYS A 46 7.564 -5.032 30.913 1.00 65.51 N ATOM 0 H LYS A 46 6.972 -1.535 26.388 1.00 0.23 H new ATOM 0 HA LYS A 46 9.263 -0.324 27.782 1.00 12.40 H new ATOM 0 HB2 LYS A 46 7.320 -0.130 29.305 1.00 63.45 H new ATOM 0 HB3 LYS A 46 6.974 -1.836 29.105 1.00 63.45 H new ATOM 0 HG2 LYS A 46 9.710 -1.622 29.911 1.00 40.52 H new ATOM 0 HG3 LYS A 46 8.779 -0.564 30.952 1.00 40.52 H new ATOM 0 HD2 LYS A 46 8.844 -2.770 31.958 1.00 73.43 H new ATOM 0 HD3 LYS A 46 7.204 -2.448 31.430 1.00 73.43 H new ATOM 0 HE2 LYS A 46 7.754 -3.703 29.274 1.00 1.43 H new ATOM 0 HE3 LYS A 46 9.275 -4.168 30.012 1.00 1.43 H new ATOM 0 HZ1 LYS A 46 7.978 -5.929 30.588 1.00 65.51 H new ATOM 0 HZ2 LYS A 46 7.691 -4.944 31.942 1.00 65.51 H new ATOM 0 HZ3 LYS A 46 6.549 -5.017 30.687 1.00 65.51 H new ATOM 714 N THR A 47 10.439 -2.520 27.742 1.00 4.22 N ATOM 715 CA THR A 47 11.180 -3.757 27.529 1.00 11.20 C ATOM 716 C THR A 47 12.173 -4.005 28.658 1.00 3.44 C ATOM 717 O THR A 47 13.001 -3.149 28.969 1.00 53.34 O ATOM 718 CB THR A 47 11.939 -3.733 26.189 1.00 70.31 C ATOM 719 OG1 THR A 47 12.635 -4.970 25.998 1.00 3.05 O ATOM 720 CG2 THR A 47 12.927 -2.577 26.147 1.00 60.42 C ATOM 0 H THR A 47 11.005 -1.743 28.082 1.00 4.22 H new ATOM 0 HA THR A 47 10.448 -4.564 27.509 1.00 11.20 H new ATOM 0 HB THR A 47 11.213 -3.598 25.388 1.00 70.31 H new ATOM 0 HG1 THR A 47 13.465 -4.962 26.519 1.00 3.05 H new ATOM 0 HG21 THR A 47 13.451 -2.581 25.191 1.00 60.42 H new ATOM 0 HG22 THR A 47 12.390 -1.635 26.263 1.00 60.42 H new ATOM 0 HG23 THR A 47 13.649 -2.685 26.957 1.00 60.42 H new ATOM 728 N ASN A 48 12.086 -5.182 29.270 1.00 51.44 N ATOM 729 CA ASN A 48 12.978 -5.542 30.365 1.00 2.15 C ATOM 730 C ASN A 48 12.637 -6.925 30.912 1.00 4.22 C ATOM 731 O ASN A 48 11.537 -7.442 30.719 1.00 62.45 O ATOM 732 CB ASN A 48 12.890 -4.503 31.485 1.00 43.41 C ATOM 733 CG ASN A 48 11.482 -3.971 31.671 1.00 23.01 C ATOM 734 OD1 ASN A 48 11.212 -2.796 31.421 1.00 62.35 O ATOM 735 ND2 ASN A 48 10.577 -4.836 32.113 1.00 21.23 N ATOM 0 H ASN A 48 11.406 -5.902 29.026 1.00 51.44 H new ATOM 0 HA ASN A 48 13.997 -5.564 29.978 1.00 2.15 H new ATOM 0 HB2 ASN A 48 13.233 -4.949 32.418 1.00 43.41 H new ATOM 0 HB3 ASN A 48 13.562 -3.674 31.262 1.00 43.41 H new ATOM 0 HD21 ASN A 48 9.613 -4.536 32.258 1.00 21.23 H new ATOM 0 HD22 ASN A 48 10.846 -5.801 32.307 1.00 21.23 H new ATOM 742 N PRO A 49 13.603 -7.538 31.613 1.00 74.41 N ATOM 743 CA PRO A 49 13.428 -8.869 32.203 1.00 4.22 C ATOM 744 C PRO A 49 12.449 -8.861 33.372 1.00 4.43 C ATOM 745 O PRO A 49 11.708 -9.821 33.580 1.00 1.40 O ATOM 746 CB PRO A 49 14.835 -9.230 32.686 1.00 3.54 C ATOM 747 CG PRO A 49 15.506 -7.919 32.912 1.00 0.41 C ATOM 748 CD PRO A 49 14.938 -6.980 31.883 1.00 23.41 C ATOM 0 HA PRO A 49 13.012 -9.580 31.489 1.00 4.22 H new ATOM 0 HB2 PRO A 49 14.800 -9.820 33.602 1.00 3.54 H new ATOM 0 HB3 PRO A 49 15.368 -9.825 31.944 1.00 3.54 H new ATOM 0 HG2 PRO A 49 15.317 -7.553 33.921 1.00 0.41 H new ATOM 0 HG3 PRO A 49 16.587 -8.010 32.803 1.00 0.41 H new ATOM 0 HD2 PRO A 49 14.878 -5.959 32.260 1.00 23.41 H new ATOM 0 HD3 PRO A 49 15.551 -6.952 30.982 1.00 23.41 H new ATOM 756 N ALA A 50 12.452 -7.771 34.133 1.00 41.43 N ATOM 757 CA ALA A 50 11.562 -7.637 35.279 1.00 2.13 C ATOM 758 C ALA A 50 11.575 -6.212 35.821 1.00 3.52 C ATOM 759 O ALA A 50 12.052 -5.963 36.929 1.00 42.44 O ATOM 760 CB ALA A 50 11.955 -8.622 36.370 1.00 4.13 C ATOM 0 H ALA A 50 13.061 -6.968 33.976 1.00 41.43 H new ATOM 0 HA ALA A 50 10.548 -7.863 34.948 1.00 2.13 H new ATOM 0 HB1 ALA A 50 11.282 -8.511 37.220 1.00 4.13 H new ATOM 0 HB2 ALA A 50 11.887 -9.639 35.984 1.00 4.13 H new ATOM 0 HB3 ALA A 50 12.978 -8.423 36.689 1.00 4.13 H new ATOM 766 N ASP A 51 11.050 -5.280 35.034 1.00 52.42 N ATOM 767 CA ASP A 51 11.001 -3.878 35.435 1.00 32.40 C ATOM 768 C ASP A 51 12.389 -3.372 35.813 1.00 65.51 C ATOM 769 O ASP A 51 12.568 -2.735 36.851 1.00 2.53 O ATOM 770 CB ASP A 51 10.040 -3.696 36.611 1.00 4.13 C ATOM 771 CG ASP A 51 9.448 -2.301 36.664 1.00 23.22 C ATOM 772 OD1 ASP A 51 9.817 -1.468 35.811 1.00 51.14 O ATOM 773 OD2 ASP A 51 8.617 -2.043 37.560 1.00 50.21 O ATOM 0 H ASP A 51 10.652 -5.469 34.114 1.00 52.42 H new ATOM 0 HA ASP A 51 10.641 -3.295 34.587 1.00 32.40 H new ATOM 0 HB2 ASP A 51 9.235 -4.427 36.535 1.00 4.13 H new ATOM 0 HB3 ASP A 51 10.568 -3.899 37.543 1.00 4.13 H new ATOM 778 N LEU A 52 13.370 -3.662 34.965 1.00 51.15 N ATOM 779 CA LEU A 52 14.744 -3.237 35.210 1.00 71.25 C ATOM 780 C LEU A 52 15.087 -2.002 34.384 1.00 43.42 C ATOM 781 O LEU A 52 15.847 -1.138 34.825 1.00 15.14 O ATOM 782 CB LEU A 52 15.716 -4.372 34.879 1.00 14.54 C ATOM 783 CG LEU A 52 16.371 -5.063 36.075 1.00 31.33 C ATOM 784 CD1 LEU A 52 16.815 -6.469 35.701 1.00 10.13 C ATOM 785 CD2 LEU A 52 17.550 -4.247 36.583 1.00 3.23 C ATOM 0 H LEU A 52 13.239 -4.190 34.102 1.00 51.15 H new ATOM 0 HA LEU A 52 14.837 -2.983 36.266 1.00 71.25 H new ATOM 0 HB2 LEU A 52 15.182 -5.124 34.298 1.00 14.54 H new ATOM 0 HB3 LEU A 52 16.503 -3.974 34.238 1.00 14.54 H new ATOM 0 HG LEU A 52 15.635 -5.137 36.875 1.00 31.33 H new ATOM 0 HD11 LEU A 52 17.279 -6.946 36.564 1.00 10.13 H new ATOM 0 HD12 LEU A 52 15.950 -7.052 35.386 1.00 10.13 H new ATOM 0 HD13 LEU A 52 17.535 -6.418 34.884 1.00 10.13 H new ATOM 0 HD21 LEU A 52 18.004 -4.754 37.434 1.00 3.23 H new ATOM 0 HD22 LEU A 52 18.288 -4.141 35.788 1.00 3.23 H new ATOM 0 HD23 LEU A 52 17.204 -3.260 36.891 1.00 3.23 H new ATOM 797 N LEU A 53 14.522 -1.922 33.184 1.00 23.42 N ATOM 798 CA LEU A 53 14.767 -0.791 32.297 1.00 55.34 C ATOM 799 C LEU A 53 14.525 0.530 33.020 1.00 53.45 C ATOM 800 O LEU A 53 13.693 0.613 33.922 1.00 74.21 O ATOM 801 CB LEU A 53 13.867 -0.882 31.062 1.00 4.14 C ATOM 802 CG LEU A 53 14.100 0.176 29.983 1.00 15.22 C ATOM 803 CD1 LEU A 53 15.054 -0.346 28.920 1.00 11.34 C ATOM 804 CD2 LEU A 53 12.778 0.597 29.356 1.00 4.11 C ATOM 0 H LEU A 53 13.891 -2.627 32.803 1.00 23.42 H new ATOM 0 HA LEU A 53 15.810 -0.826 31.983 1.00 55.34 H new ATOM 0 HB2 LEU A 53 13.999 -1.866 30.612 1.00 4.14 H new ATOM 0 HB3 LEU A 53 12.829 -0.817 31.388 1.00 4.14 H new ATOM 0 HG LEU A 53 14.553 1.050 30.450 1.00 15.22 H new ATOM 0 HD11 LEU A 53 15.208 0.421 28.161 1.00 11.34 H new ATOM 0 HD12 LEU A 53 16.009 -0.597 29.380 1.00 11.34 H new ATOM 0 HD13 LEU A 53 14.630 -1.236 28.456 1.00 11.34 H new ATOM 0 HD21 LEU A 53 12.962 1.350 28.590 1.00 4.11 H new ATOM 0 HD22 LEU A 53 12.297 -0.270 28.904 1.00 4.11 H new ATOM 0 HD23 LEU A 53 12.127 1.013 30.125 1.00 4.11 H new ATOM 816 N GLY A 54 15.257 1.564 32.615 1.00 62.33 N ATOM 817 CA GLY A 54 15.106 2.868 33.233 1.00 20.20 C ATOM 818 C GLY A 54 13.774 3.513 32.906 1.00 10.35 C ATOM 819 O GLY A 54 12.767 3.234 33.556 1.00 74.44 O ATOM 0 H GLY A 54 15.952 1.521 31.870 1.00 62.33 H new ATOM 0 HA2 GLY A 54 15.202 2.768 34.314 1.00 20.20 H new ATOM 0 HA3 GLY A 54 15.914 3.520 32.900 1.00 20.20 H new ATOM 823 N GLN A 55 13.769 4.380 31.899 1.00 4.31 N ATOM 824 CA GLN A 55 12.551 5.069 31.490 1.00 30.10 C ATOM 825 C GLN A 55 12.462 5.161 29.970 1.00 34.33 C ATOM 826 O GLN A 55 13.470 5.164 29.264 1.00 71.21 O ATOM 827 CB GLN A 55 12.502 6.470 32.101 1.00 3.33 C ATOM 828 CG GLN A 55 13.792 7.255 31.927 1.00 43.34 C ATOM 829 CD GLN A 55 13.552 8.742 31.750 1.00 73.40 C ATOM 830 OE1 GLN A 55 13.300 9.214 30.641 1.00 1.10 O ATOM 831 NE2 GLN A 55 13.627 9.488 32.846 1.00 44.25 N ATOM 0 H GLN A 55 14.595 4.622 31.351 1.00 4.31 H new ATOM 0 HA GLN A 55 11.699 4.493 31.852 1.00 30.10 H new ATOM 0 HB2 GLN A 55 11.683 7.027 31.646 1.00 3.33 H new ATOM 0 HB3 GLN A 55 12.278 6.386 33.164 1.00 3.33 H new ATOM 0 HG2 GLN A 55 14.430 7.095 32.796 1.00 43.34 H new ATOM 0 HG3 GLN A 55 14.331 6.872 31.061 1.00 43.34 H new ATOM 0 HE21 GLN A 55 13.839 9.054 33.745 1.00 44.25 H new ATOM 0 HE22 GLN A 55 13.473 10.495 32.789 1.00 44.25 H new ATOM 840 N PRO A 56 11.226 5.237 29.453 1.00 3.02 N ATOM 841 CA PRO A 56 10.976 5.331 28.012 1.00 71.51 C ATOM 842 C PRO A 56 11.407 6.675 27.435 1.00 75.43 C ATOM 843 O PRO A 56 11.428 7.685 28.138 1.00 71.30 O ATOM 844 CB PRO A 56 9.458 5.164 27.904 1.00 21.21 C ATOM 845 CG PRO A 56 8.933 5.614 29.223 1.00 11.43 C ATOM 846 CD PRO A 56 9.979 5.238 30.236 1.00 40.41 C ATOM 0 HA PRO A 56 11.541 4.587 27.451 1.00 71.51 H new ATOM 0 HB2 PRO A 56 9.051 5.764 27.090 1.00 21.21 H new ATOM 0 HB3 PRO A 56 9.187 4.128 27.703 1.00 21.21 H new ATOM 0 HG2 PRO A 56 8.756 6.689 29.226 1.00 11.43 H new ATOM 0 HG3 PRO A 56 7.981 5.133 29.448 1.00 11.43 H new ATOM 0 HD2 PRO A 56 10.020 5.955 31.056 1.00 40.41 H new ATOM 0 HD3 PRO A 56 9.780 4.261 30.676 1.00 40.41 H new ATOM 854 N SER A 57 11.748 6.680 26.150 1.00 24.33 N ATOM 855 CA SER A 57 12.182 7.900 25.479 1.00 31.25 C ATOM 856 C SER A 57 11.498 8.046 24.123 1.00 3.34 C ATOM 857 O SER A 57 12.092 7.764 23.082 1.00 11.03 O ATOM 858 CB SER A 57 13.701 7.896 25.300 1.00 62.13 C ATOM 859 OG SER A 57 14.094 8.772 24.257 1.00 14.14 O ATOM 0 H SER A 57 11.732 5.853 25.553 1.00 24.33 H new ATOM 0 HA SER A 57 11.900 8.749 26.102 1.00 31.25 H new ATOM 0 HB2 SER A 57 14.181 8.196 26.231 1.00 62.13 H new ATOM 0 HB3 SER A 57 14.041 6.885 25.078 1.00 62.13 H new ATOM 0 HG SER A 57 13.762 8.431 23.401 1.00 14.14 H new ATOM 865 N PHE A 58 10.246 8.490 24.144 1.00 32.21 N ATOM 866 CA PHE A 58 9.479 8.673 22.917 1.00 4.52 C ATOM 867 C PHE A 58 9.790 10.024 22.279 1.00 43.03 C ATOM 868 O PHE A 58 9.931 11.032 22.971 1.00 43.22 O ATOM 869 CB PHE A 58 7.981 8.566 23.206 1.00 14.10 C ATOM 870 CG PHE A 58 7.547 9.338 24.419 1.00 2.23 C ATOM 871 CD1 PHE A 58 7.263 10.691 24.331 1.00 55.35 C ATOM 872 CD2 PHE A 58 7.425 8.711 25.649 1.00 70.03 C ATOM 873 CE1 PHE A 58 6.863 11.405 25.445 1.00 60.30 C ATOM 874 CE2 PHE A 58 7.026 9.419 26.766 1.00 15.04 C ATOM 875 CZ PHE A 58 6.745 10.768 26.665 1.00 64.23 C ATOM 0 H PHE A 58 9.741 8.730 24.997 1.00 32.21 H new ATOM 0 HA PHE A 58 9.764 7.886 22.219 1.00 4.52 H new ATOM 0 HB2 PHE A 58 7.426 8.924 22.339 1.00 14.10 H new ATOM 0 HB3 PHE A 58 7.719 7.516 23.341 1.00 14.10 H new ATOM 0 HD1 PHE A 58 7.355 11.194 23.380 1.00 55.35 H new ATOM 0 HD2 PHE A 58 7.644 7.657 25.735 1.00 70.03 H new ATOM 0 HE1 PHE A 58 6.643 12.459 25.362 1.00 60.30 H new ATOM 0 HE2 PHE A 58 6.934 8.918 27.718 1.00 15.04 H new ATOM 0 HZ PHE A 58 6.434 11.323 27.538 1.00 64.23 H new ATOM 885 N SER A 59 9.896 10.035 20.954 1.00 42.12 N ATOM 886 CA SER A 59 10.195 11.260 20.221 1.00 33.00 C ATOM 887 C SER A 59 9.206 12.364 20.584 1.00 45.44 C ATOM 888 O SER A 59 8.252 12.140 21.328 1.00 54.03 O ATOM 889 CB SER A 59 10.156 11.000 18.714 1.00 40.01 C ATOM 890 OG SER A 59 11.200 10.127 18.320 1.00 21.40 O ATOM 0 H SER A 59 9.779 9.210 20.366 1.00 42.12 H new ATOM 0 HA SER A 59 11.197 11.587 20.500 1.00 33.00 H new ATOM 0 HB2 SER A 59 9.193 10.567 18.441 1.00 40.01 H new ATOM 0 HB3 SER A 59 10.245 11.944 18.176 1.00 40.01 H new ATOM 0 HG SER A 59 11.014 9.224 18.651 1.00 21.40 H new ATOM 896 N LYS A 60 9.443 13.559 20.052 1.00 30.01 N ATOM 897 CA LYS A 60 8.575 14.700 20.317 1.00 51.22 C ATOM 898 C LYS A 60 7.692 15.004 19.110 1.00 24.04 C ATOM 899 O LYS A 60 8.066 15.785 18.236 1.00 24.15 O ATOM 900 CB LYS A 60 9.411 15.931 20.673 1.00 1.34 C ATOM 901 CG LYS A 60 9.552 16.158 22.169 1.00 42.54 C ATOM 902 CD LYS A 60 8.423 17.019 22.711 1.00 44.12 C ATOM 903 CE LYS A 60 7.501 16.221 23.619 1.00 32.31 C ATOM 904 NZ LYS A 60 7.691 16.576 25.053 1.00 74.32 N ATOM 0 H LYS A 60 10.229 13.762 19.435 1.00 30.01 H new ATOM 0 HA LYS A 60 7.933 14.448 21.161 1.00 51.22 H new ATOM 0 HB2 LYS A 60 10.403 15.825 20.235 1.00 1.34 H new ATOM 0 HB3 LYS A 60 8.956 16.812 20.221 1.00 1.34 H new ATOM 0 HG2 LYS A 60 9.558 15.198 22.685 1.00 42.54 H new ATOM 0 HG3 LYS A 60 10.509 16.638 22.377 1.00 42.54 H new ATOM 0 HD2 LYS A 60 8.839 17.862 23.263 1.00 44.12 H new ATOM 0 HD3 LYS A 60 7.850 17.433 21.882 1.00 44.12 H new ATOM 0 HE2 LYS A 60 6.465 16.403 23.334 1.00 32.31 H new ATOM 0 HE3 LYS A 60 7.688 15.156 23.481 1.00 32.31 H new ATOM 0 HZ1 LYS A 60 7.044 16.010 25.639 1.00 74.32 H new ATOM 0 HZ2 LYS A 60 8.673 16.379 25.332 1.00 74.32 H new ATOM 0 HZ3 LYS A 60 7.488 17.587 25.190 1.00 74.32 H new ATOM 918 N GLY A 61 6.518 14.382 19.070 1.00 31.01 N ATOM 919 CA GLY A 61 5.600 14.600 17.967 1.00 3.31 C ATOM 920 C GLY A 61 5.080 16.023 17.919 1.00 14.11 C ATOM 921 O GLY A 61 5.754 16.952 18.361 1.00 1.33 O ATOM 0 H GLY A 61 6.186 13.731 19.782 1.00 31.01 H new ATOM 0 HA2 GLY A 61 6.103 14.368 17.028 1.00 3.31 H new ATOM 0 HA3 GLY A 61 4.759 13.912 18.056 1.00 3.31 H new ATOM 925 N GLU A 62 3.877 16.194 17.379 1.00 31.41 N ATOM 926 CA GLU A 62 3.268 17.514 17.273 1.00 43.42 C ATOM 927 C GLU A 62 2.182 17.700 18.329 1.00 64.31 C ATOM 928 O GLU A 62 1.292 16.863 18.471 1.00 73.42 O ATOM 929 CB GLU A 62 2.677 17.717 15.876 1.00 13.03 C ATOM 930 CG GLU A 62 3.707 18.103 14.829 1.00 45.21 C ATOM 931 CD GLU A 62 4.486 16.910 14.309 1.00 3.42 C ATOM 932 OE1 GLU A 62 3.890 16.076 13.597 1.00 34.03 O ATOM 933 OE2 GLU A 62 5.693 16.812 14.615 1.00 63.03 O ATOM 0 H GLU A 62 3.305 15.435 17.008 1.00 31.41 H new ATOM 0 HA GLU A 62 4.046 18.259 17.442 1.00 43.42 H new ATOM 0 HB2 GLU A 62 2.181 16.798 15.564 1.00 13.03 H new ATOM 0 HB3 GLU A 62 1.912 18.492 15.924 1.00 13.03 H new ATOM 0 HG2 GLU A 62 3.206 18.596 13.996 1.00 45.21 H new ATOM 0 HG3 GLU A 62 4.401 18.827 15.257 1.00 45.21 H new ATOM 940 N GLU A 63 2.265 18.802 19.067 1.00 0.12 N ATOM 941 CA GLU A 63 1.290 19.096 20.111 1.00 4.32 C ATOM 942 C GLU A 63 0.015 19.684 19.515 1.00 51.33 C ATOM 943 O GLU A 63 0.062 20.627 18.724 1.00 64.32 O ATOM 944 CB GLU A 63 1.883 20.068 21.134 1.00 62.20 C ATOM 945 CG GLU A 63 1.252 19.961 22.512 1.00 22.41 C ATOM 946 CD GLU A 63 0.193 21.019 22.753 1.00 45.11 C ATOM 947 OE1 GLU A 63 -0.621 21.261 21.838 1.00 53.32 O ATOM 948 OE2 GLU A 63 0.180 21.605 23.855 1.00 13.33 O ATOM 0 H GLU A 63 2.996 19.505 18.962 1.00 0.12 H new ATOM 0 HA GLU A 63 1.039 18.161 20.611 1.00 4.32 H new ATOM 0 HB2 GLU A 63 2.954 19.884 21.219 1.00 62.20 H new ATOM 0 HB3 GLU A 63 1.763 21.087 20.767 1.00 62.20 H new ATOM 0 HG2 GLU A 63 0.806 18.973 22.627 1.00 22.41 H new ATOM 0 HG3 GLU A 63 2.029 20.051 23.271 1.00 22.41 H new ATOM 955 N LYS A 64 -1.125 19.121 19.899 1.00 33.21 N ATOM 956 CA LYS A 64 -2.415 19.588 19.404 1.00 30.44 C ATOM 957 C LYS A 64 -3.490 19.457 20.479 1.00 4.31 C ATOM 958 O LYS A 64 -3.382 18.625 21.379 1.00 62.12 O ATOM 959 CB LYS A 64 -2.824 18.796 18.160 1.00 32.34 C ATOM 960 CG LYS A 64 -3.076 17.323 18.433 1.00 62.34 C ATOM 961 CD LYS A 64 -4.533 16.955 18.209 1.00 12.35 C ATOM 962 CE LYS A 64 -4.931 17.116 16.750 1.00 34.23 C ATOM 963 NZ LYS A 64 -4.089 16.280 15.850 1.00 34.24 N ATOM 0 H LYS A 64 -1.182 18.340 20.552 1.00 33.21 H new ATOM 0 HA LYS A 64 -2.315 20.641 19.141 1.00 30.44 H new ATOM 0 HB2 LYS A 64 -3.726 19.238 17.738 1.00 32.34 H new ATOM 0 HB3 LYS A 64 -2.042 18.889 17.407 1.00 32.34 H new ATOM 0 HG2 LYS A 64 -2.443 16.718 17.783 1.00 62.34 H new ATOM 0 HG3 LYS A 64 -2.795 17.089 19.460 1.00 62.34 H new ATOM 0 HD2 LYS A 64 -4.701 15.924 18.521 1.00 12.35 H new ATOM 0 HD3 LYS A 64 -5.168 17.585 18.832 1.00 12.35 H new ATOM 0 HE2 LYS A 64 -5.978 16.841 16.627 1.00 34.23 H new ATOM 0 HE3 LYS A 64 -4.841 18.163 16.462 1.00 34.23 H new ATOM 0 HZ1 LYS A 64 -4.531 16.229 14.910 1.00 34.24 H new ATOM 0 HZ2 LYS A 64 -3.143 16.705 15.766 1.00 34.24 H new ATOM 0 HZ3 LYS A 64 -4.004 15.322 16.245 1.00 34.24 H new ATOM 977 N GLU A 65 -4.525 20.284 20.377 1.00 14.54 N ATOM 978 CA GLU A 65 -5.619 20.260 21.341 1.00 32.24 C ATOM 979 C GLU A 65 -6.913 19.787 20.684 1.00 2.04 C ATOM 980 O GLU A 65 -7.278 20.250 19.604 1.00 62.15 O ATOM 981 CB GLU A 65 -5.822 21.648 21.952 1.00 51.34 C ATOM 982 CG GLU A 65 -4.523 22.363 22.284 1.00 60.12 C ATOM 983 CD GLU A 65 -4.131 23.380 21.230 1.00 64.13 C ATOM 984 OE1 GLU A 65 -4.666 24.508 21.266 1.00 20.31 O ATOM 985 OE2 GLU A 65 -3.289 23.049 20.369 1.00 70.51 O ATOM 0 H GLU A 65 -4.629 20.979 19.637 1.00 14.54 H new ATOM 0 HA GLU A 65 -5.356 19.558 22.132 1.00 32.24 H new ATOM 0 HB2 GLU A 65 -6.397 22.261 21.258 1.00 51.34 H new ATOM 0 HB3 GLU A 65 -6.417 21.552 22.860 1.00 51.34 H new ATOM 0 HG2 GLU A 65 -4.624 22.864 23.247 1.00 60.12 H new ATOM 0 HG3 GLU A 65 -3.725 21.628 22.389 1.00 60.12 H new ATOM 992 N ASP A 66 -7.601 18.862 21.345 1.00 41.33 N ATOM 993 CA ASP A 66 -8.854 18.326 20.826 1.00 11.22 C ATOM 994 C ASP A 66 -9.781 17.914 21.965 1.00 14.23 C ATOM 995 O ASP A 66 -9.534 18.237 23.127 1.00 60.34 O ATOM 996 CB ASP A 66 -8.583 17.129 19.914 1.00 22.33 C ATOM 997 CG ASP A 66 -9.466 17.128 18.682 1.00 65.13 C ATOM 998 OD1 ASP A 66 -10.690 16.933 18.829 1.00 74.52 O ATOM 999 OD2 ASP A 66 -8.932 17.323 17.570 1.00 3.51 O ATOM 0 H ASP A 66 -7.312 18.468 22.241 1.00 41.33 H new ATOM 0 HA ASP A 66 -9.344 19.109 20.248 1.00 11.22 H new ATOM 0 HB2 ASP A 66 -7.537 17.139 19.608 1.00 22.33 H new ATOM 0 HB3 ASP A 66 -8.743 16.207 20.473 1.00 22.33 H new ATOM 1004 N GLU A 67 -10.850 17.201 21.623 1.00 22.33 N ATOM 1005 CA GLU A 67 -11.815 16.747 22.618 1.00 63.21 C ATOM 1006 C GLU A 67 -11.717 15.238 22.822 1.00 24.30 C ATOM 1007 O GLU A 67 -12.366 14.676 23.704 1.00 21.14 O ATOM 1008 CB GLU A 67 -13.235 17.124 22.192 1.00 72.30 C ATOM 1009 CG GLU A 67 -13.538 16.808 20.737 1.00 34.50 C ATOM 1010 CD GLU A 67 -14.950 17.192 20.339 1.00 72.54 C ATOM 1011 OE1 GLU A 67 -15.869 16.371 20.543 1.00 10.35 O ATOM 1012 OE2 GLU A 67 -15.136 18.313 19.822 1.00 43.33 O ATOM 0 H GLU A 67 -11.069 16.926 20.666 1.00 22.33 H new ATOM 0 HA GLU A 67 -11.584 17.240 23.563 1.00 63.21 H new ATOM 0 HB2 GLU A 67 -13.948 16.596 22.826 1.00 72.30 H new ATOM 0 HB3 GLU A 67 -13.386 18.190 22.363 1.00 72.30 H new ATOM 0 HG2 GLU A 67 -12.829 17.335 20.099 1.00 34.50 H new ATOM 0 HG3 GLU A 67 -13.392 15.742 20.563 1.00 34.50 H new ATOM 1019 N PHE A 68 -10.901 14.587 21.999 1.00 4.23 N ATOM 1020 CA PHE A 68 -10.718 13.143 22.088 1.00 41.14 C ATOM 1021 C PHE A 68 -9.623 12.794 23.091 1.00 31.34 C ATOM 1022 O PHE A 68 -9.329 11.621 23.323 1.00 20.21 O ATOM 1023 CB PHE A 68 -10.369 12.567 20.714 1.00 64.02 C ATOM 1024 CG PHE A 68 -11.548 12.464 19.790 1.00 71.44 C ATOM 1025 CD1 PHE A 68 -12.267 13.593 19.434 1.00 53.30 C ATOM 1026 CD2 PHE A 68 -11.937 11.237 19.276 1.00 13.10 C ATOM 1027 CE1 PHE A 68 -13.353 13.501 18.584 1.00 35.34 C ATOM 1028 CE2 PHE A 68 -13.022 11.138 18.426 1.00 54.44 C ATOM 1029 CZ PHE A 68 -13.731 12.272 18.079 1.00 43.04 C ATOM 0 H PHE A 68 -10.356 15.037 21.263 1.00 4.23 H new ATOM 0 HA PHE A 68 -11.654 12.704 22.432 1.00 41.14 H new ATOM 0 HB2 PHE A 68 -9.607 13.193 20.249 1.00 64.02 H new ATOM 0 HB3 PHE A 68 -9.932 11.577 20.844 1.00 64.02 H new ATOM 0 HD1 PHE A 68 -11.976 14.557 19.825 1.00 53.30 H new ATOM 0 HD2 PHE A 68 -11.386 10.348 19.543 1.00 13.10 H new ATOM 0 HE1 PHE A 68 -13.906 14.389 18.315 1.00 35.34 H new ATOM 0 HE2 PHE A 68 -13.315 10.176 18.033 1.00 54.44 H new ATOM 0 HZ PHE A 68 -14.579 12.198 17.414 1.00 43.04 H new ATOM 1039 N PHE A 69 -9.023 13.820 23.684 1.00 4.41 N ATOM 1040 CA PHE A 69 -7.959 13.623 24.662 1.00 11.31 C ATOM 1041 C PHE A 69 -7.537 14.952 25.282 1.00 50.31 C ATOM 1042 O PHE A 69 -7.179 15.016 26.457 1.00 25.30 O ATOM 1043 CB PHE A 69 -6.753 12.948 24.006 1.00 20.32 C ATOM 1044 CG PHE A 69 -6.009 13.841 23.056 1.00 43.42 C ATOM 1045 CD1 PHE A 69 -6.644 14.379 21.948 1.00 13.33 C ATOM 1046 CD2 PHE A 69 -4.674 14.144 23.270 1.00 3.11 C ATOM 1047 CE1 PHE A 69 -5.961 15.201 21.072 1.00 55.32 C ATOM 1048 CE2 PHE A 69 -3.986 14.966 22.397 1.00 23.22 C ATOM 1049 CZ PHE A 69 -4.631 15.496 21.297 1.00 20.12 C ATOM 0 H PHE A 69 -9.255 14.797 23.505 1.00 4.41 H new ATOM 0 HA PHE A 69 -8.342 12.978 25.453 1.00 11.31 H new ATOM 0 HB2 PHE A 69 -6.069 12.609 24.784 1.00 20.32 H new ATOM 0 HB3 PHE A 69 -7.091 12.061 23.469 1.00 20.32 H new ATOM 0 HD1 PHE A 69 -7.685 14.153 21.767 1.00 13.33 H new ATOM 0 HD2 PHE A 69 -4.165 13.733 24.129 1.00 3.11 H new ATOM 0 HE1 PHE A 69 -6.467 15.613 20.211 1.00 55.32 H new ATOM 0 HE2 PHE A 69 -2.945 15.193 22.575 1.00 23.22 H new ATOM 0 HZ PHE A 69 -4.096 16.140 20.614 1.00 20.12 H new ATOM 1059 N GLY A 70 -7.582 16.013 24.481 1.00 32.12 N ATOM 1060 CA GLY A 70 -7.202 17.326 24.967 1.00 4.25 C ATOM 1061 C GLY A 70 -5.939 17.845 24.308 1.00 55.43 C ATOM 1062 O GLY A 70 -5.676 17.554 23.141 1.00 22.31 O ATOM 0 H GLY A 70 -7.875 15.986 23.504 1.00 32.12 H new ATOM 0 HA2 GLY A 70 -8.017 18.027 24.786 1.00 4.25 H new ATOM 0 HA3 GLY A 70 -7.053 17.282 26.046 1.00 4.25 H new ATOM 1066 N ARG A 71 -5.158 18.618 25.055 1.00 51.31 N ATOM 1067 CA ARG A 71 -3.918 19.182 24.534 1.00 32.34 C ATOM 1068 C ARG A 71 -2.726 18.301 24.898 1.00 72.04 C ATOM 1069 O ARG A 71 -2.250 18.323 26.032 1.00 45.40 O ATOM 1070 CB ARG A 71 -3.707 20.595 25.080 1.00 3.10 C ATOM 1071 CG ARG A 71 -3.862 20.695 26.589 1.00 54.13 C ATOM 1072 CD ARG A 71 -5.037 21.582 26.970 1.00 53.11 C ATOM 1073 NE ARG A 71 -4.672 22.996 26.990 1.00 22.15 N ATOM 1074 CZ ARG A 71 -5.443 23.947 27.505 1.00 54.02 C ATOM 1075 NH1 ARG A 71 -6.617 23.637 28.038 1.00 21.04 N ATOM 1076 NH2 ARG A 71 -5.041 25.211 27.486 1.00 14.43 N ATOM 0 H ARG A 71 -5.361 18.868 26.023 1.00 51.31 H new ATOM 0 HA ARG A 71 -3.996 19.228 23.448 1.00 32.34 H new ATOM 0 HB2 ARG A 71 -2.710 20.937 24.802 1.00 3.10 H new ATOM 0 HB3 ARG A 71 -4.420 21.269 24.605 1.00 3.10 H new ATOM 0 HG2 ARG A 71 -4.005 19.699 27.008 1.00 54.13 H new ATOM 0 HG3 ARG A 71 -2.946 21.095 27.024 1.00 54.13 H new ATOM 0 HD2 ARG A 71 -5.852 21.428 26.262 1.00 53.11 H new ATOM 0 HD3 ARG A 71 -5.408 21.290 27.952 1.00 53.11 H new ATOM 0 HE ARG A 71 -3.776 23.268 26.586 1.00 22.15 H new ATOM 0 HH11 ARG A 71 -6.930 22.666 28.053 1.00 21.04 H new ATOM 0 HH12 ARG A 71 -7.207 24.369 28.433 1.00 21.04 H new ATOM 0 HH21 ARG A 71 -4.139 25.453 27.076 1.00 14.43 H new ATOM 0 HH22 ARG A 71 -5.634 25.941 27.882 1.00 14.43 H new ATOM 1090 N GLN A 72 -2.251 17.527 23.927 1.00 34.01 N ATOM 1091 CA GLN A 72 -1.116 16.638 24.146 1.00 53.32 C ATOM 1092 C GLN A 72 -0.351 16.403 22.848 1.00 71.03 C ATOM 1093 O GLN A 72 -0.802 16.791 21.769 1.00 3.02 O ATOM 1094 CB GLN A 72 -1.591 15.303 24.721 1.00 24.24 C ATOM 1095 CG GLN A 72 -1.238 15.113 26.188 1.00 72.21 C ATOM 1096 CD GLN A 72 -2.280 15.700 27.119 1.00 0.43 C ATOM 1097 OE1 GLN A 72 -3.481 15.523 26.916 1.00 15.04 O ATOM 1098 NE2 GLN A 72 -1.824 16.405 28.149 1.00 72.15 N ATOM 0 H GLN A 72 -2.634 17.498 22.982 1.00 34.01 H new ATOM 0 HA GLN A 72 -0.445 17.115 24.860 1.00 53.32 H new ATOM 0 HB2 GLN A 72 -2.672 15.230 24.604 1.00 24.24 H new ATOM 0 HB3 GLN A 72 -1.152 14.491 24.142 1.00 24.24 H new ATOM 0 HG2 GLN A 72 -1.128 14.049 26.397 1.00 72.21 H new ATOM 0 HG3 GLN A 72 -0.273 15.579 26.389 1.00 72.21 H new ATOM 0 HE21 GLN A 72 -0.820 16.526 28.279 1.00 72.15 H new ATOM 0 HE22 GLN A 72 -2.478 16.825 28.809 1.00 72.15 H new ATOM 1107 N THR A 73 0.810 15.765 22.958 1.00 30.21 N ATOM 1108 CA THR A 73 1.639 15.479 21.794 1.00 52.12 C ATOM 1109 C THR A 73 1.165 14.220 21.077 1.00 31.02 C ATOM 1110 O THR A 73 0.787 13.236 21.714 1.00 50.24 O ATOM 1111 CB THR A 73 3.118 15.307 22.186 1.00 23.22 C ATOM 1112 OG1 THR A 73 3.403 16.063 23.369 1.00 71.35 O ATOM 1113 CG2 THR A 73 4.033 15.757 21.058 1.00 45.34 C ATOM 0 H THR A 73 1.198 15.436 23.842 1.00 30.21 H new ATOM 0 HA THR A 73 1.546 16.333 21.123 1.00 52.12 H new ATOM 0 HB THR A 73 3.299 14.250 22.379 1.00 23.22 H new ATOM 0 HG1 THR A 73 4.345 15.947 23.612 1.00 71.35 H new ATOM 0 HG21 THR A 73 5.073 15.626 21.359 1.00 45.34 H new ATOM 0 HG22 THR A 73 3.834 15.160 20.168 1.00 45.34 H new ATOM 0 HG23 THR A 73 3.849 16.808 20.838 1.00 45.34 H new ATOM 1121 N VAL A 74 1.188 14.257 19.749 1.00 60.54 N ATOM 1122 CA VAL A 74 0.762 13.117 18.945 1.00 62.01 C ATOM 1123 C VAL A 74 1.657 12.941 17.723 1.00 23.35 C ATOM 1124 O VAL A 74 2.533 13.765 17.458 1.00 31.24 O ATOM 1125 CB VAL A 74 -0.698 13.273 18.480 1.00 62.44 C ATOM 1126 CG1 VAL A 74 -1.613 13.529 19.668 1.00 63.45 C ATOM 1127 CG2 VAL A 74 -0.814 14.392 17.456 1.00 62.11 C ATOM 0 H VAL A 74 1.497 15.064 19.207 1.00 60.54 H new ATOM 0 HA VAL A 74 0.841 12.235 19.580 1.00 62.01 H new ATOM 0 HB VAL A 74 -1.011 12.343 18.005 1.00 62.44 H new ATOM 0 HG11 VAL A 74 -2.640 13.637 19.320 1.00 63.45 H new ATOM 0 HG12 VAL A 74 -1.551 12.691 20.362 1.00 63.45 H new ATOM 0 HG13 VAL A 74 -1.304 14.443 20.175 1.00 63.45 H new ATOM 0 HG21 VAL A 74 -1.852 14.488 17.138 1.00 62.11 H new ATOM 0 HG22 VAL A 74 -0.483 15.330 17.902 1.00 62.11 H new ATOM 0 HG23 VAL A 74 -0.190 14.161 16.592 1.00 62.11 H new ATOM 1137 N TYR A 75 1.432 11.862 16.982 1.00 34.34 N ATOM 1138 CA TYR A 75 2.219 11.576 15.789 1.00 21.41 C ATOM 1139 C TYR A 75 1.330 11.519 14.550 1.00 23.14 C ATOM 1140 O TYR A 75 0.194 11.047 14.608 1.00 1.51 O ATOM 1141 CB TYR A 75 2.970 10.253 15.953 1.00 72.00 C ATOM 1142 CG TYR A 75 4.018 10.282 17.043 1.00 53.45 C ATOM 1143 CD1 TYR A 75 5.015 11.250 17.049 1.00 71.31 C ATOM 1144 CD2 TYR A 75 4.010 9.343 18.066 1.00 12.04 C ATOM 1145 CE1 TYR A 75 5.975 11.280 18.042 1.00 73.31 C ATOM 1146 CE2 TYR A 75 4.965 9.366 19.065 1.00 53.35 C ATOM 1147 CZ TYR A 75 5.945 10.336 19.048 1.00 42.14 C ATOM 1148 OH TYR A 75 6.899 10.363 20.039 1.00 13.55 O ATOM 0 H TYR A 75 0.711 11.171 17.187 1.00 34.34 H new ATOM 0 HA TYR A 75 2.941 12.382 15.659 1.00 21.41 H new ATOM 0 HB2 TYR A 75 2.252 9.462 16.172 1.00 72.00 H new ATOM 0 HB3 TYR A 75 3.448 9.997 15.008 1.00 72.00 H new ATOM 0 HD1 TYR A 75 5.040 11.991 16.264 1.00 71.31 H new ATOM 0 HD2 TYR A 75 3.244 8.582 18.081 1.00 12.04 H new ATOM 0 HE1 TYR A 75 6.744 12.038 18.031 1.00 73.31 H new ATOM 0 HE2 TYR A 75 4.944 8.629 19.854 1.00 53.35 H new ATOM 0 HH TYR A 75 6.904 11.246 20.464 1.00 13.55 H new ATOM 1158 N HIS A 76 1.857 12.002 13.430 1.00 53.43 N ATOM 1159 CA HIS A 76 1.113 12.006 12.175 1.00 13.21 C ATOM 1160 C HIS A 76 1.682 10.978 11.203 1.00 64.05 C ATOM 1161 O HIS A 76 1.126 10.749 10.128 1.00 12.51 O ATOM 1162 CB HIS A 76 1.146 13.398 11.542 1.00 23.40 C ATOM 1163 CG HIS A 76 2.475 13.754 10.950 1.00 50.31 C ATOM 1164 ND1 HIS A 76 3.715 13.275 11.204 1.00 11.11 N flip ATOM 1165 CD2 HIS A 76 2.630 14.714 9.972 1.00 71.51 C flip ATOM 1166 CE1 HIS A 76 4.587 13.945 10.383 1.00 4.20 C flip ATOM 1167 NE2 HIS A 76 3.907 14.808 9.649 1.00 43.54 N flip ATOM 0 H HIS A 76 2.796 12.396 13.365 1.00 53.43 H new ATOM 0 HA HIS A 76 0.079 11.739 12.393 1.00 13.21 H new ATOM 0 HB2 HIS A 76 0.384 13.453 10.764 1.00 23.40 H new ATOM 0 HB3 HIS A 76 0.884 14.138 12.298 1.00 23.40 H new ATOM 0 HD2 HIS A 76 1.832 15.298 9.538 1.00 71.51 H new ATOM 0 HE1 HIS A 76 5.655 13.792 10.343 1.00 4.20 H new ATOM 0 HE2 HIS A 76 4.301 15.439 8.952 1.00 43.54 H new ATOM 1175 N HIS A 77 2.796 10.361 11.586 1.00 34.11 N ATOM 1176 CA HIS A 77 3.441 9.357 10.748 1.00 71.14 C ATOM 1177 C HIS A 77 4.611 8.708 11.480 1.00 22.23 C ATOM 1178 O HIS A 77 4.654 7.489 11.644 1.00 75.05 O ATOM 1179 CB HIS A 77 3.928 9.988 9.443 1.00 73.02 C ATOM 1180 CG HIS A 77 4.534 9.003 8.491 1.00 4.41 C ATOM 1181 ND1 HIS A 77 3.849 8.473 7.419 1.00 70.23 N ATOM 1182 CD2 HIS A 77 5.771 8.455 8.454 1.00 21.50 C ATOM 1183 CE1 HIS A 77 4.637 7.639 6.764 1.00 22.22 C ATOM 1184 NE2 HIS A 77 5.810 7.610 7.372 1.00 54.12 N ATOM 0 H HIS A 77 3.270 10.539 12.471 1.00 34.11 H new ATOM 0 HA HIS A 77 2.706 8.585 10.518 1.00 71.14 H new ATOM 0 HB2 HIS A 77 3.090 10.485 8.954 1.00 73.02 H new ATOM 0 HB3 HIS A 77 4.664 10.758 9.674 1.00 73.02 H new ATOM 0 HD2 HIS A 77 6.577 8.647 9.146 1.00 21.50 H new ATOM 0 HE1 HIS A 77 4.368 7.077 5.882 1.00 22.22 H new ATOM 0 HE2 HIS A 77 6.613 7.051 7.085 1.00 54.12 H new ATOM 1192 N GLU A 78 5.559 9.531 11.918 1.00 32.13 N ATOM 1193 CA GLU A 78 6.730 9.036 12.632 1.00 60.52 C ATOM 1194 C GLU A 78 6.428 8.860 14.117 1.00 2.03 C ATOM 1195 O GLU A 78 5.815 9.724 14.743 1.00 2.22 O ATOM 1196 CB GLU A 78 7.909 9.994 12.449 1.00 30.34 C ATOM 1197 CG GLU A 78 7.587 11.432 12.817 1.00 15.31 C ATOM 1198 CD GLU A 78 8.693 12.092 13.618 1.00 73.14 C ATOM 1199 OE1 GLU A 78 8.743 11.878 14.847 1.00 13.11 O ATOM 1200 OE2 GLU A 78 9.508 12.821 13.015 1.00 13.44 O ATOM 0 H GLU A 78 5.539 10.543 11.791 1.00 32.13 H new ATOM 0 HA GLU A 78 6.994 8.064 12.216 1.00 60.52 H new ATOM 0 HB2 GLU A 78 8.744 9.650 13.059 1.00 30.34 H new ATOM 0 HB3 GLU A 78 8.237 9.958 11.410 1.00 30.34 H new ATOM 0 HG2 GLU A 78 7.411 12.005 11.907 1.00 15.31 H new ATOM 0 HG3 GLU A 78 6.662 11.457 13.393 1.00 15.31 H new ATOM 1207 N ALA A 79 6.863 7.735 14.674 1.00 20.45 N ATOM 1208 CA ALA A 79 6.641 7.445 16.086 1.00 42.52 C ATOM 1209 C ALA A 79 7.611 6.381 16.587 1.00 4.33 C ATOM 1210 O ALA A 79 7.350 5.185 16.467 1.00 33.22 O ATOM 1211 CB ALA A 79 5.204 7.002 16.314 1.00 32.30 C ATOM 0 H ALA A 79 7.371 7.009 14.169 1.00 20.45 H new ATOM 0 HA ALA A 79 6.822 8.359 16.652 1.00 42.52 H new ATOM 0 HB1 ALA A 79 5.053 6.789 17.372 1.00 32.30 H new ATOM 0 HB2 ALA A 79 4.525 7.796 16.003 1.00 32.30 H new ATOM 0 HB3 ALA A 79 5.003 6.103 15.731 1.00 32.30 H new ATOM 1217 N GLN A 80 8.731 6.825 17.148 1.00 3.45 N ATOM 1218 CA GLN A 80 9.741 5.910 17.666 1.00 31.35 C ATOM 1219 C GLN A 80 10.027 6.190 19.138 1.00 13.40 C ATOM 1220 O GLN A 80 9.967 7.336 19.585 1.00 34.23 O ATOM 1221 CB GLN A 80 11.031 6.026 16.853 1.00 50.11 C ATOM 1222 CG GLN A 80 12.233 5.380 17.522 1.00 31.54 C ATOM 1223 CD GLN A 80 13.509 5.550 16.722 1.00 51.42 C ATOM 1224 OE1 GLN A 80 14.163 4.573 16.358 1.00 31.52 O ATOM 1225 NE2 GLN A 80 13.870 6.797 16.442 1.00 2.22 N ATOM 0 H GLN A 80 8.962 7.813 17.255 1.00 3.45 H new ATOM 0 HA GLN A 80 9.354 4.895 17.577 1.00 31.35 H new ATOM 0 HB2 GLN A 80 10.878 5.565 15.877 1.00 50.11 H new ATOM 0 HB3 GLN A 80 11.246 7.080 16.678 1.00 50.11 H new ATOM 0 HG2 GLN A 80 12.369 5.814 18.512 1.00 31.54 H new ATOM 0 HG3 GLN A 80 12.037 4.317 17.664 1.00 31.54 H new ATOM 0 HE21 GLN A 80 13.298 7.578 16.764 1.00 2.22 H new ATOM 0 HE22 GLN A 80 14.719 6.974 15.905 1.00 2.22 H new ATOM 1234 N VAL A 81 10.338 5.137 19.887 1.00 55.01 N ATOM 1235 CA VAL A 81 10.633 5.270 21.308 1.00 3.14 C ATOM 1236 C VAL A 81 11.924 4.544 21.672 1.00 53.24 C ATOM 1237 O VAL A 81 12.200 3.457 21.165 1.00 32.05 O ATOM 1238 CB VAL A 81 9.485 4.718 22.175 1.00 45.24 C ATOM 1239 CG1 VAL A 81 9.709 5.061 23.639 1.00 2.25 C ATOM 1240 CG2 VAL A 81 8.147 5.256 21.691 1.00 43.31 C ATOM 0 H VAL A 81 10.392 4.182 19.533 1.00 55.01 H new ATOM 0 HA VAL A 81 10.749 6.335 21.508 1.00 3.14 H new ATOM 0 HB VAL A 81 9.470 3.632 22.080 1.00 45.24 H new ATOM 0 HG11 VAL A 81 8.888 4.663 24.236 1.00 2.25 H new ATOM 0 HG12 VAL A 81 10.648 4.623 23.976 1.00 2.25 H new ATOM 0 HG13 VAL A 81 9.751 6.144 23.757 1.00 2.25 H new ATOM 0 HG21 VAL A 81 7.347 4.856 22.314 1.00 43.31 H new ATOM 0 HG22 VAL A 81 8.148 6.344 21.755 1.00 43.31 H new ATOM 0 HG23 VAL A 81 7.986 4.954 20.656 1.00 43.31 H new ATOM 1250 N ALA A 82 12.711 5.153 22.553 1.00 71.15 N ATOM 1251 CA ALA A 82 13.972 4.563 22.986 1.00 55.51 C ATOM 1252 C ALA A 82 13.858 4.002 24.399 1.00 72.51 C ATOM 1253 O ALA A 82 13.368 4.673 25.307 1.00 30.12 O ATOM 1254 CB ALA A 82 15.088 5.594 22.914 1.00 4.21 C ATOM 0 H ALA A 82 12.498 6.054 22.981 1.00 71.15 H new ATOM 0 HA ALA A 82 14.210 3.738 22.314 1.00 55.51 H new ATOM 0 HB1 ALA A 82 16.024 5.140 23.240 1.00 4.21 H new ATOM 0 HB2 ALA A 82 15.193 5.945 21.888 1.00 4.21 H new ATOM 0 HB3 ALA A 82 14.848 6.436 23.563 1.00 4.21 H new ATOM 1260 N PHE A 83 14.313 2.766 24.578 1.00 75.34 N ATOM 1261 CA PHE A 83 14.260 2.113 25.880 1.00 21.34 C ATOM 1262 C PHE A 83 15.665 1.836 26.407 1.00 3.42 C ATOM 1263 O PHE A 83 16.205 0.739 26.264 1.00 52.11 O ATOM 1264 CB PHE A 83 13.472 0.805 25.788 1.00 72.44 C ATOM 1265 CG PHE A 83 12.183 0.934 25.028 1.00 53.33 C ATOM 1266 CD1 PHE A 83 11.274 1.931 25.345 1.00 74.24 C ATOM 1267 CD2 PHE A 83 11.880 0.060 23.996 1.00 2.12 C ATOM 1268 CE1 PHE A 83 10.086 2.052 24.647 1.00 24.35 C ATOM 1269 CE2 PHE A 83 10.695 0.176 23.295 1.00 14.42 C ATOM 1270 CZ PHE A 83 9.797 1.174 23.621 1.00 41.33 C ATOM 0 H PHE A 83 14.723 2.197 23.837 1.00 75.34 H new ATOM 0 HA PHE A 83 13.755 2.785 26.574 1.00 21.34 H new ATOM 0 HB2 PHE A 83 14.093 0.049 25.308 1.00 72.44 H new ATOM 0 HB3 PHE A 83 13.257 0.448 26.795 1.00 72.44 H new ATOM 0 HD1 PHE A 83 11.496 2.621 26.146 1.00 74.24 H new ATOM 0 HD2 PHE A 83 12.579 -0.721 23.736 1.00 2.12 H new ATOM 0 HE1 PHE A 83 9.385 2.832 24.904 1.00 24.35 H new ATOM 0 HE2 PHE A 83 10.471 -0.512 22.494 1.00 14.42 H new ATOM 0 HZ PHE A 83 8.870 1.267 23.074 1.00 41.33 H new ATOM 1280 N PRO A 84 16.274 2.856 27.032 1.00 75.14 N ATOM 1281 CA PRO A 84 17.624 2.748 27.593 1.00 54.34 C ATOM 1282 C PRO A 84 17.672 1.841 28.817 1.00 11.12 C ATOM 1283 O PRO A 84 16.876 1.991 29.744 1.00 32.25 O ATOM 1284 CB PRO A 84 17.962 4.190 27.981 1.00 20.32 C ATOM 1285 CG PRO A 84 16.641 4.842 28.205 1.00 64.14 C ATOM 1286 CD PRO A 84 15.690 4.192 27.239 1.00 71.15 C ATOM 0 HA PRO A 84 18.326 2.307 26.886 1.00 54.34 H new ATOM 0 HB2 PRO A 84 18.578 4.224 28.880 1.00 20.32 H new ATOM 0 HB3 PRO A 84 18.522 4.691 27.192 1.00 20.32 H new ATOM 0 HG2 PRO A 84 16.307 4.705 29.234 1.00 64.14 H new ATOM 0 HG3 PRO A 84 16.701 5.916 28.030 1.00 64.14 H new ATOM 0 HD2 PRO A 84 14.681 4.131 27.648 1.00 71.15 H new ATOM 0 HD3 PRO A 84 15.622 4.750 26.305 1.00 71.15 H new ATOM 1294 N TYR A 85 18.610 0.901 28.814 1.00 22.13 N ATOM 1295 CA TYR A 85 18.761 -0.032 29.925 1.00 73.13 C ATOM 1296 C TYR A 85 19.131 0.704 31.209 1.00 52.34 C ATOM 1297 O TYR A 85 19.621 1.832 31.171 1.00 11.41 O ATOM 1298 CB TYR A 85 19.828 -1.078 29.598 1.00 33.41 C ATOM 1299 CG TYR A 85 19.504 -1.913 28.379 1.00 3.15 C ATOM 1300 CD1 TYR A 85 18.203 -2.325 28.121 1.00 34.11 C ATOM 1301 CD2 TYR A 85 20.500 -2.290 27.487 1.00 20.20 C ATOM 1302 CE1 TYR A 85 17.902 -3.088 27.009 1.00 24.34 C ATOM 1303 CE2 TYR A 85 20.209 -3.052 26.372 1.00 12.01 C ATOM 1304 CZ TYR A 85 18.909 -3.449 26.138 1.00 53.33 C ATOM 1305 OH TYR A 85 18.615 -4.209 25.029 1.00 53.21 O ATOM 0 H TYR A 85 19.277 0.764 28.055 1.00 22.13 H new ATOM 0 HA TYR A 85 17.805 -0.533 30.078 1.00 73.13 H new ATOM 0 HB2 TYR A 85 20.782 -0.575 29.440 1.00 33.41 H new ATOM 0 HB3 TYR A 85 19.954 -1.737 30.457 1.00 33.41 H new ATOM 0 HD1 TYR A 85 17.413 -2.044 28.801 1.00 34.11 H new ATOM 0 HD2 TYR A 85 21.519 -1.982 27.668 1.00 20.20 H new ATOM 0 HE1 TYR A 85 16.885 -3.400 26.823 1.00 24.34 H new ATOM 0 HE2 TYR A 85 20.995 -3.335 25.688 1.00 12.01 H new ATOM 0 HH TYR A 85 18.162 -5.032 25.307 1.00 53.21 H new ATOM 1315 N ALA A 86 18.893 0.056 32.344 1.00 15.22 N ATOM 1316 CA ALA A 86 19.202 0.647 33.640 1.00 25.23 C ATOM 1317 C ALA A 86 20.140 -0.249 34.442 1.00 65.43 C ATOM 1318 O ALA A 86 20.560 0.102 35.545 1.00 71.32 O ATOM 1319 CB ALA A 86 17.923 0.907 34.421 1.00 11.22 C ATOM 0 H ALA A 86 18.487 -0.879 32.392 1.00 15.22 H new ATOM 0 HA ALA A 86 19.708 1.597 33.466 1.00 25.23 H new ATOM 0 HB1 ALA A 86 18.170 1.348 35.387 1.00 11.22 H new ATOM 0 HB2 ALA A 86 17.287 1.592 33.860 1.00 11.22 H new ATOM 0 HB3 ALA A 86 17.394 -0.033 34.576 1.00 11.22 H new ATOM 1325 N LYS A 87 20.466 -1.409 33.881 1.00 70.12 N ATOM 1326 CA LYS A 87 21.355 -2.357 34.542 1.00 1.33 C ATOM 1327 C LYS A 87 22.069 -3.237 33.521 1.00 33.03 C ATOM 1328 O LYS A 87 21.540 -3.506 32.443 1.00 23.41 O ATOM 1329 CB LYS A 87 20.566 -3.229 35.521 1.00 25.44 C ATOM 1330 CG LYS A 87 20.636 -2.745 36.959 1.00 33.34 C ATOM 1331 CD LYS A 87 22.019 -2.955 37.552 1.00 1.32 C ATOM 1332 CE LYS A 87 22.271 -4.419 37.877 1.00 74.34 C ATOM 1333 NZ LYS A 87 21.808 -4.771 39.248 1.00 44.11 N ATOM 0 H LYS A 87 20.127 -1.715 32.969 1.00 70.12 H new ATOM 0 HA LYS A 87 22.105 -1.790 35.093 1.00 1.33 H new ATOM 0 HB2 LYS A 87 19.523 -3.260 35.207 1.00 25.44 H new ATOM 0 HB3 LYS A 87 20.944 -4.250 35.471 1.00 25.44 H new ATOM 0 HG2 LYS A 87 20.378 -1.687 37.000 1.00 33.34 H new ATOM 0 HG3 LYS A 87 19.897 -3.277 37.559 1.00 33.34 H new ATOM 0 HD2 LYS A 87 22.774 -2.602 36.850 1.00 1.32 H new ATOM 0 HD3 LYS A 87 22.122 -2.357 38.458 1.00 1.32 H new ATOM 0 HE2 LYS A 87 21.758 -5.046 37.148 1.00 74.34 H new ATOM 0 HE3 LYS A 87 23.336 -4.633 37.787 1.00 74.34 H new ATOM 0 HZ1 LYS A 87 21.998 -5.777 39.431 1.00 44.11 H new ATOM 0 HZ2 LYS A 87 22.316 -4.191 39.946 1.00 44.11 H new ATOM 0 HZ3 LYS A 87 20.787 -4.591 39.326 1.00 44.11 H new ATOM 1347 N ALA A 88 23.271 -3.683 33.869 1.00 22.34 N ATOM 1348 CA ALA A 88 24.055 -4.536 32.985 1.00 60.14 C ATOM 1349 C ALA A 88 23.650 -5.999 33.131 1.00 1.04 C ATOM 1350 O ALA A 88 23.869 -6.612 34.176 1.00 31.31 O ATOM 1351 CB ALA A 88 25.540 -4.367 33.268 1.00 43.34 C ATOM 0 H ALA A 88 23.723 -3.468 34.757 1.00 22.34 H new ATOM 0 HA ALA A 88 23.855 -4.232 31.958 1.00 60.14 H new ATOM 0 HB1 ALA A 88 26.113 -5.010 32.600 1.00 43.34 H new ATOM 0 HB2 ALA A 88 25.826 -3.328 33.105 1.00 43.34 H new ATOM 0 HB3 ALA A 88 25.747 -4.642 34.302 1.00 43.34 H new ATOM 1357 N VAL A 89 23.058 -6.553 32.078 1.00 13.12 N ATOM 1358 CA VAL A 89 22.622 -7.944 32.090 1.00 64.31 C ATOM 1359 C VAL A 89 22.615 -8.530 30.682 1.00 2.23 C ATOM 1360 O VAL A 89 22.274 -7.848 29.717 1.00 71.02 O ATOM 1361 CB VAL A 89 21.216 -8.087 32.701 1.00 74.23 C ATOM 1362 CG1 VAL A 89 21.272 -7.935 34.213 1.00 20.31 C ATOM 1363 CG2 VAL A 89 20.264 -7.070 32.089 1.00 1.25 C ATOM 0 H VAL A 89 22.869 -6.060 31.205 1.00 13.12 H new ATOM 0 HA VAL A 89 23.334 -8.493 32.706 1.00 64.31 H new ATOM 0 HB VAL A 89 20.840 -9.085 32.475 1.00 74.23 H new ATOM 0 HG11 VAL A 89 20.269 -8.039 34.627 1.00 20.31 H new ATOM 0 HG12 VAL A 89 21.919 -8.705 34.632 1.00 20.31 H new ATOM 0 HG13 VAL A 89 21.668 -6.951 34.465 1.00 20.31 H new ATOM 0 HG21 VAL A 89 19.275 -7.185 32.532 1.00 1.25 H new ATOM 0 HG22 VAL A 89 20.634 -6.063 32.283 1.00 1.25 H new ATOM 0 HG23 VAL A 89 20.201 -7.232 31.013 1.00 1.25 H new ATOM 1373 N GLY A 90 22.994 -9.800 30.573 1.00 4.43 N ATOM 1374 CA GLY A 90 23.024 -10.456 29.280 1.00 63.45 C ATOM 1375 C GLY A 90 21.929 -11.493 29.130 1.00 30.53 C ATOM 1376 O GLY A 90 22.048 -12.420 28.330 1.00 64.04 O ATOM 0 H GLY A 90 23.281 -10.386 31.357 1.00 4.43 H new ATOM 0 HA2 GLY A 90 22.921 -9.708 28.494 1.00 63.45 H new ATOM 0 HA3 GLY A 90 23.994 -10.934 29.141 1.00 63.45 H new ATOM 1380 N GLU A 91 20.860 -11.338 29.905 1.00 74.32 N ATOM 1381 CA GLU A 91 19.740 -12.271 29.856 1.00 22.41 C ATOM 1382 C GLU A 91 18.598 -11.707 29.016 1.00 32.41 C ATOM 1383 O GLU A 91 18.518 -10.506 28.758 1.00 34.14 O ATOM 1384 CB GLU A 91 19.244 -12.581 31.270 1.00 55.11 C ATOM 1385 CG GLU A 91 19.766 -13.896 31.824 1.00 14.32 C ATOM 1386 CD GLU A 91 18.712 -14.661 32.601 1.00 52.10 C ATOM 1387 OE1 GLU A 91 18.175 -14.102 33.580 1.00 14.50 O ATOM 1388 OE2 GLU A 91 18.424 -15.818 32.231 1.00 64.15 O ATOM 0 H GLU A 91 20.746 -10.576 30.574 1.00 74.32 H new ATOM 0 HA GLU A 91 20.088 -13.193 29.391 1.00 22.41 H new ATOM 0 HB2 GLU A 91 19.543 -11.772 31.936 1.00 55.11 H new ATOM 0 HB3 GLU A 91 18.154 -12.605 31.266 1.00 55.11 H new ATOM 0 HG2 GLU A 91 20.127 -14.515 31.002 1.00 14.32 H new ATOM 0 HG3 GLU A 91 20.619 -13.699 32.473 1.00 14.32 H new ATOM 1395 N PRO A 92 17.692 -12.595 28.578 1.00 44.54 N ATOM 1396 CA PRO A 92 16.538 -12.209 27.760 1.00 22.32 C ATOM 1397 C PRO A 92 15.512 -11.404 28.550 1.00 74.34 C ATOM 1398 O PRO A 92 15.400 -11.547 29.767 1.00 34.24 O ATOM 1399 CB PRO A 92 15.946 -13.553 27.327 1.00 11.23 C ATOM 1400 CG PRO A 92 16.375 -14.514 28.382 1.00 45.43 C ATOM 1401 CD PRO A 92 17.726 -14.042 28.846 1.00 15.15 C ATOM 0 HA PRO A 92 16.824 -11.566 26.928 1.00 22.32 H new ATOM 0 HB2 PRO A 92 14.860 -13.502 27.256 1.00 11.23 H new ATOM 0 HB3 PRO A 92 16.316 -13.851 26.346 1.00 11.23 H new ATOM 0 HG2 PRO A 92 15.663 -14.532 29.207 1.00 45.43 H new ATOM 0 HG3 PRO A 92 16.430 -15.528 27.987 1.00 45.43 H new ATOM 0 HD2 PRO A 92 17.883 -14.251 29.904 1.00 15.15 H new ATOM 0 HD3 PRO A 92 18.532 -14.533 28.301 1.00 15.15 H new ATOM 1409 N TYR A 93 14.764 -10.559 27.849 1.00 2.30 N ATOM 1410 CA TYR A 93 13.748 -9.729 28.485 1.00 32.33 C ATOM 1411 C TYR A 93 12.464 -9.713 27.661 1.00 11.13 C ATOM 1412 O TYR A 93 12.446 -10.146 26.509 1.00 75.01 O ATOM 1413 CB TYR A 93 14.266 -8.302 28.670 1.00 25.33 C ATOM 1414 CG TYR A 93 15.235 -7.866 27.594 1.00 10.24 C ATOM 1415 CD1 TYR A 93 16.587 -8.172 27.684 1.00 4.11 C ATOM 1416 CD2 TYR A 93 14.798 -7.147 26.489 1.00 42.51 C ATOM 1417 CE1 TYR A 93 17.476 -7.775 26.704 1.00 43.31 C ATOM 1418 CE2 TYR A 93 15.680 -6.746 25.503 1.00 34.53 C ATOM 1419 CZ TYR A 93 17.017 -7.063 25.615 1.00 5.34 C ATOM 1420 OH TYR A 93 17.899 -6.665 24.636 1.00 12.24 O ATOM 0 H TYR A 93 14.842 -10.431 26.840 1.00 2.30 H new ATOM 0 HA TYR A 93 13.526 -10.157 29.463 1.00 32.33 H new ATOM 0 HB2 TYR A 93 13.419 -7.616 28.684 1.00 25.33 H new ATOM 0 HB3 TYR A 93 14.755 -8.225 29.641 1.00 25.33 H new ATOM 0 HD1 TYR A 93 16.949 -8.730 28.535 1.00 4.11 H new ATOM 0 HD2 TYR A 93 13.751 -6.897 26.399 1.00 42.51 H new ATOM 0 HE1 TYR A 93 18.524 -8.021 26.790 1.00 43.31 H new ATOM 0 HE2 TYR A 93 15.324 -6.188 24.650 1.00 34.53 H new ATOM 0 HH TYR A 93 17.961 -7.361 23.949 1.00 12.24 H new ATOM 1430 N LYS A 94 11.390 -9.209 28.261 1.00 45.13 N ATOM 1431 CA LYS A 94 10.101 -9.133 27.584 1.00 10.44 C ATOM 1432 C LYS A 94 9.774 -7.694 27.198 1.00 52.23 C ATOM 1433 O LYS A 94 10.178 -6.750 27.878 1.00 33.04 O ATOM 1434 CB LYS A 94 8.997 -9.694 28.483 1.00 73.12 C ATOM 1435 CG LYS A 94 7.727 -10.057 27.732 1.00 42.32 C ATOM 1436 CD LYS A 94 6.626 -9.038 27.973 1.00 3.41 C ATOM 1437 CE LYS A 94 5.777 -9.410 29.179 1.00 51.53 C ATOM 1438 NZ LYS A 94 6.547 -9.317 30.450 1.00 63.23 N ATOM 0 H LYS A 94 11.387 -8.847 29.215 1.00 45.13 H new ATOM 0 HA LYS A 94 10.160 -9.731 26.674 1.00 10.44 H new ATOM 0 HB2 LYS A 94 9.372 -10.580 28.995 1.00 73.12 H new ATOM 0 HB3 LYS A 94 8.757 -8.959 29.252 1.00 73.12 H new ATOM 0 HG2 LYS A 94 7.939 -10.119 26.665 1.00 42.32 H new ATOM 0 HG3 LYS A 94 7.386 -11.043 28.047 1.00 42.32 H new ATOM 0 HD2 LYS A 94 7.067 -8.053 28.127 1.00 3.41 H new ATOM 0 HD3 LYS A 94 5.993 -8.969 27.088 1.00 3.41 H new ATOM 0 HE2 LYS A 94 4.911 -8.751 29.230 1.00 51.53 H new ATOM 0 HE3 LYS A 94 5.398 -10.425 29.057 1.00 51.53 H new ATOM 0 HZ1 LYS A 94 5.896 -9.394 31.257 1.00 63.23 H new ATOM 0 HZ2 LYS A 94 7.243 -10.089 30.492 1.00 63.23 H new ATOM 0 HZ3 LYS A 94 7.041 -8.403 30.490 1.00 63.23 H new ATOM 1452 N LEU A 95 9.039 -7.533 26.103 1.00 42.14 N ATOM 1453 CA LEU A 95 8.656 -6.208 25.626 1.00 30.41 C ATOM 1454 C LEU A 95 7.140 -6.089 25.511 1.00 13.22 C ATOM 1455 O LEU A 95 6.450 -7.065 25.217 1.00 32.14 O ATOM 1456 CB LEU A 95 9.306 -5.925 24.271 1.00 54.34 C ATOM 1457 CG LEU A 95 9.266 -4.471 23.798 1.00 11.14 C ATOM 1458 CD1 LEU A 95 10.392 -4.199 22.813 1.00 53.12 C ATOM 1459 CD2 LEU A 95 7.917 -4.150 23.172 1.00 72.43 C ATOM 0 H LEU A 95 8.696 -8.303 25.529 1.00 42.14 H new ATOM 0 HA LEU A 95 9.006 -5.472 26.350 1.00 30.41 H new ATOM 0 HB2 LEU A 95 10.348 -6.243 24.317 1.00 54.34 H new ATOM 0 HB3 LEU A 95 8.817 -6.544 23.519 1.00 54.34 H new ATOM 0 HG LEU A 95 9.405 -3.824 24.664 1.00 11.14 H new ATOM 0 HD11 LEU A 95 10.347 -3.160 22.487 1.00 53.12 H new ATOM 0 HD12 LEU A 95 11.351 -4.387 23.296 1.00 53.12 H new ATOM 0 HD13 LEU A 95 10.286 -4.855 21.949 1.00 53.12 H new ATOM 0 HD21 LEU A 95 7.907 -3.111 22.841 1.00 72.43 H new ATOM 0 HD22 LEU A 95 7.748 -4.805 22.317 1.00 72.43 H new ATOM 0 HD23 LEU A 95 7.128 -4.304 23.908 1.00 72.43 H new ATOM 1471 N VAL A 96 6.627 -4.884 25.743 1.00 70.42 N ATOM 1472 CA VAL A 96 5.193 -4.636 25.662 1.00 54.31 C ATOM 1473 C VAL A 96 4.906 -3.252 25.089 1.00 62.32 C ATOM 1474 O VAL A 96 5.205 -2.235 25.715 1.00 2.40 O ATOM 1475 CB VAL A 96 4.523 -4.755 27.044 1.00 25.31 C ATOM 1476 CG1 VAL A 96 5.369 -4.071 28.108 1.00 74.03 C ATOM 1477 CG2 VAL A 96 3.120 -4.170 27.008 1.00 11.15 C ATOM 0 H VAL A 96 7.184 -4.065 25.988 1.00 70.42 H new ATOM 0 HA VAL A 96 4.778 -5.395 24.999 1.00 54.31 H new ATOM 0 HB VAL A 96 4.444 -5.811 27.301 1.00 25.31 H new ATOM 0 HG11 VAL A 96 4.880 -4.165 29.078 1.00 74.03 H new ATOM 0 HG12 VAL A 96 6.351 -4.541 28.150 1.00 74.03 H new ATOM 0 HG13 VAL A 96 5.482 -3.016 27.860 1.00 74.03 H new ATOM 0 HG21 VAL A 96 2.662 -4.263 27.993 1.00 11.15 H new ATOM 0 HG22 VAL A 96 3.172 -3.117 26.729 1.00 11.15 H new ATOM 0 HG23 VAL A 96 2.519 -4.710 26.276 1.00 11.15 H new ATOM 1487 N LEU A 97 4.325 -3.222 23.895 1.00 53.41 N ATOM 1488 CA LEU A 97 3.996 -1.962 23.236 1.00 64.21 C ATOM 1489 C LEU A 97 2.496 -1.855 22.983 1.00 41.20 C ATOM 1490 O LEU A 97 1.854 -2.821 22.569 1.00 40.32 O ATOM 1491 CB LEU A 97 4.758 -1.842 21.915 1.00 52.44 C ATOM 1492 CG LEU A 97 5.828 -0.751 21.854 1.00 53.14 C ATOM 1493 CD1 LEU A 97 7.083 -1.272 21.170 1.00 15.32 C ATOM 1494 CD2 LEU A 97 5.296 0.478 21.131 1.00 12.21 C ATOM 0 H LEU A 97 4.072 -4.055 23.363 1.00 53.41 H new ATOM 0 HA LEU A 97 4.293 -1.146 23.895 1.00 64.21 H new ATOM 0 HB2 LEU A 97 5.232 -2.800 21.704 1.00 52.44 H new ATOM 0 HB3 LEU A 97 4.037 -1.661 21.118 1.00 52.44 H new ATOM 0 HG LEU A 97 6.086 -0.465 22.874 1.00 53.14 H new ATOM 0 HD11 LEU A 97 7.833 -0.482 21.136 1.00 15.32 H new ATOM 0 HD12 LEU A 97 7.476 -2.122 21.729 1.00 15.32 H new ATOM 0 HD13 LEU A 97 6.840 -1.586 20.155 1.00 15.32 H new ATOM 0 HD21 LEU A 97 6.071 1.244 21.097 1.00 12.21 H new ATOM 0 HD22 LEU A 97 5.009 0.207 20.115 1.00 12.21 H new ATOM 0 HD23 LEU A 97 4.426 0.865 21.662 1.00 12.21 H new ATOM 1506 N THR A 98 1.942 -0.672 23.233 1.00 30.40 N ATOM 1507 CA THR A 98 0.518 -0.438 23.032 1.00 53.13 C ATOM 1508 C THR A 98 0.280 0.810 22.189 1.00 73.20 C ATOM 1509 O THR A 98 0.756 1.896 22.521 1.00 32.54 O ATOM 1510 CB THR A 98 -0.222 -0.285 24.374 1.00 22.44 C ATOM 1511 OG1 THR A 98 0.247 -1.267 25.306 1.00 74.02 O ATOM 1512 CG2 THR A 98 -1.724 -0.435 24.185 1.00 43.31 C ATOM 0 H THR A 98 2.459 0.138 23.575 1.00 30.40 H new ATOM 0 HA THR A 98 0.126 -1.309 22.507 1.00 53.13 H new ATOM 0 HB THR A 98 -0.019 0.713 24.764 1.00 22.44 H new ATOM 0 HG1 THR A 98 -0.227 -1.162 26.157 1.00 74.02 H new ATOM 0 HG21 THR A 98 -2.225 -0.323 25.147 1.00 43.31 H new ATOM 0 HG22 THR A 98 -2.083 0.331 23.498 1.00 43.31 H new ATOM 0 HG23 THR A 98 -1.942 -1.421 23.775 1.00 43.31 H new ATOM 1520 N TYR A 99 -0.460 0.648 21.098 1.00 40.45 N ATOM 1521 CA TYR A 99 -0.760 1.762 20.206 1.00 41.32 C ATOM 1522 C TYR A 99 -2.251 2.084 20.219 1.00 51.32 C ATOM 1523 O TYR A 99 -3.091 1.186 20.168 1.00 1.24 O ATOM 1524 CB TYR A 99 -0.309 1.438 18.781 1.00 73.44 C ATOM 1525 CG TYR A 99 0.610 0.240 18.694 1.00 34.01 C ATOM 1526 CD1 TYR A 99 1.926 0.317 19.133 1.00 71.33 C ATOM 1527 CD2 TYR A 99 0.162 -0.968 18.173 1.00 2.30 C ATOM 1528 CE1 TYR A 99 2.769 -0.775 19.055 1.00 4.30 C ATOM 1529 CE2 TYR A 99 0.998 -2.065 18.093 1.00 41.41 C ATOM 1530 CZ TYR A 99 2.301 -1.963 18.535 1.00 73.11 C ATOM 1531 OH TYR A 99 3.137 -3.053 18.455 1.00 31.05 O ATOM 0 H TYR A 99 -0.863 -0.244 20.810 1.00 40.45 H new ATOM 0 HA TYR A 99 -0.215 2.636 20.562 1.00 41.32 H new ATOM 0 HB2 TYR A 99 -1.188 1.256 18.163 1.00 73.44 H new ATOM 0 HB3 TYR A 99 0.200 2.307 18.364 1.00 73.44 H new ATOM 0 HD1 TYR A 99 2.296 1.246 19.542 1.00 71.33 H new ATOM 0 HD2 TYR A 99 -0.857 -1.051 17.825 1.00 2.30 H new ATOM 0 HE1 TYR A 99 3.790 -0.698 19.400 1.00 4.30 H new ATOM 0 HE2 TYR A 99 0.634 -2.997 17.687 1.00 41.41 H new ATOM 0 HH TYR A 99 3.796 -3.013 19.179 1.00 31.05 H new ATOM 1541 N GLN A 100 -2.571 3.373 20.286 1.00 20.41 N ATOM 1542 CA GLN A 100 -3.960 3.814 20.306 1.00 55.21 C ATOM 1543 C GLN A 100 -4.086 5.239 19.777 1.00 55.11 C ATOM 1544 O GLN A 100 -3.429 6.155 20.269 1.00 63.12 O ATOM 1545 CB GLN A 100 -4.523 3.733 21.726 1.00 53.01 C ATOM 1546 CG GLN A 100 -5.918 4.321 21.862 1.00 54.41 C ATOM 1547 CD GLN A 100 -6.534 4.054 23.221 1.00 15.21 C ATOM 1548 OE1 GLN A 100 -5.843 3.668 24.164 1.00 60.22 O ATOM 1549 NE2 GLN A 100 -7.842 4.259 23.329 1.00 0.33 N ATOM 0 H GLN A 100 -1.887 4.129 20.327 1.00 20.41 H new ATOM 0 HA GLN A 100 -4.534 3.153 19.657 1.00 55.21 H new ATOM 0 HB2 GLN A 100 -4.545 2.689 22.040 1.00 53.01 H new ATOM 0 HB3 GLN A 100 -3.850 4.256 22.405 1.00 53.01 H new ATOM 0 HG2 GLN A 100 -5.873 5.397 21.693 1.00 54.41 H new ATOM 0 HG3 GLN A 100 -6.561 3.903 21.087 1.00 54.41 H new ATOM 0 HE21 GLN A 100 -8.376 4.579 22.521 1.00 0.33 H new ATOM 0 HE22 GLN A 100 -8.312 4.096 24.220 1.00 0.33 H new ATOM 1558 N GLY A 101 -4.936 5.419 18.770 1.00 35.43 N ATOM 1559 CA GLY A 101 -5.133 6.735 18.191 1.00 64.42 C ATOM 1560 C GLY A 101 -6.440 6.845 17.432 1.00 71.22 C ATOM 1561 O GLY A 101 -7.376 6.085 17.681 1.00 52.23 O ATOM 0 H GLY A 101 -5.492 4.677 18.345 1.00 35.43 H new ATOM 0 HA2 GLY A 101 -5.112 7.484 18.983 1.00 64.42 H new ATOM 0 HA3 GLY A 101 -4.306 6.960 17.518 1.00 64.42 H new ATOM 1565 N SER A 102 -6.506 7.794 16.504 1.00 43.40 N ATOM 1566 CA SER A 102 -7.710 8.005 15.710 1.00 54.21 C ATOM 1567 C SER A 102 -7.356 8.415 14.284 1.00 51.04 C ATOM 1568 O SER A 102 -6.205 8.733 13.985 1.00 34.03 O ATOM 1569 CB SER A 102 -8.592 9.076 16.356 1.00 21.21 C ATOM 1570 OG SER A 102 -9.685 8.490 17.042 1.00 0.41 O ATOM 0 H SER A 102 -5.739 8.429 16.284 1.00 43.40 H new ATOM 0 HA SER A 102 -8.260 7.065 15.673 1.00 54.21 H new ATOM 0 HB2 SER A 102 -7.998 9.670 17.051 1.00 21.21 H new ATOM 0 HB3 SER A 102 -8.962 9.757 15.590 1.00 21.21 H new ATOM 0 HG SER A 102 -10.448 8.409 16.433 1.00 0.41 H new ATOM 1576 N ALA A 103 -8.354 8.405 13.406 1.00 35.45 N ATOM 1577 CA ALA A 103 -8.150 8.777 12.012 1.00 31.30 C ATOM 1578 C ALA A 103 -8.393 10.267 11.800 1.00 12.12 C ATOM 1579 O ALA A 103 -9.359 10.827 12.318 1.00 71.13 O ATOM 1580 CB ALA A 103 -9.060 7.958 11.108 1.00 31.15 C ATOM 0 H ALA A 103 -9.312 8.143 13.636 1.00 35.45 H new ATOM 0 HA ALA A 103 -7.113 8.564 11.754 1.00 31.30 H new ATOM 0 HB1 ALA A 103 -8.897 8.247 10.070 1.00 31.15 H new ATOM 0 HB2 ALA A 103 -8.836 6.898 11.230 1.00 31.15 H new ATOM 0 HB3 ALA A 103 -10.100 8.142 11.376 1.00 31.15 H new ATOM 1586 N GLU A 104 -7.510 10.904 11.037 1.00 31.40 N ATOM 1587 CA GLU A 104 -7.629 12.330 10.759 1.00 14.12 C ATOM 1588 C GLU A 104 -8.984 12.651 10.133 1.00 4.02 C ATOM 1589 O GLU A 104 -9.449 13.789 10.185 1.00 40.12 O ATOM 1590 CB GLU A 104 -6.504 12.787 9.829 1.00 60.24 C ATOM 1591 CG GLU A 104 -6.010 14.195 10.116 1.00 33.20 C ATOM 1592 CD GLU A 104 -6.406 15.183 9.036 1.00 4.43 C ATOM 1593 OE1 GLU A 104 -7.486 15.006 8.435 1.00 3.24 O ATOM 1594 OE2 GLU A 104 -5.634 16.135 8.793 1.00 71.13 O ATOM 0 H GLU A 104 -6.705 10.455 10.601 1.00 31.40 H new ATOM 0 HA GLU A 104 -7.549 12.866 11.705 1.00 14.12 H new ATOM 0 HB2 GLU A 104 -5.668 12.093 9.916 1.00 60.24 H new ATOM 0 HB3 GLU A 104 -6.854 12.737 8.798 1.00 60.24 H new ATOM 0 HG2 GLU A 104 -6.411 14.529 11.073 1.00 33.20 H new ATOM 0 HG3 GLU A 104 -4.924 14.183 10.212 1.00 33.20 H new ATOM 1601 N ALA A 105 -9.610 11.639 9.542 1.00 51.23 N ATOM 1602 CA ALA A 105 -10.911 11.812 8.907 1.00 2.30 C ATOM 1603 C ALA A 105 -12.016 11.950 9.949 1.00 40.44 C ATOM 1604 O ALA A 105 -13.036 12.594 9.704 1.00 23.24 O ATOM 1605 CB ALA A 105 -11.203 10.645 7.976 1.00 53.01 C ATOM 0 H ALA A 105 -9.238 10.691 9.490 1.00 51.23 H new ATOM 0 HA ALA A 105 -10.883 12.731 8.321 1.00 2.30 H new ATOM 0 HB1 ALA A 105 -12.177 10.787 7.509 1.00 53.01 H new ATOM 0 HB2 ALA A 105 -10.435 10.594 7.205 1.00 53.01 H new ATOM 0 HB3 ALA A 105 -11.206 9.716 8.547 1.00 53.01 H new ATOM 1611 N GLY A 106 -11.806 11.341 11.112 1.00 74.23 N ATOM 1612 CA GLY A 106 -12.794 11.407 12.173 1.00 54.44 C ATOM 1613 C GLY A 106 -13.260 10.035 12.618 1.00 11.41 C ATOM 1614 O GLY A 106 -14.458 9.798 12.773 1.00 52.31 O ATOM 0 H GLY A 106 -10.969 10.803 11.338 1.00 74.23 H new ATOM 0 HA2 GLY A 106 -12.372 11.938 13.026 1.00 54.44 H new ATOM 0 HA3 GLY A 106 -13.652 11.985 11.831 1.00 54.44 H new ATOM 1618 N VAL A 107 -12.311 9.128 12.823 1.00 21.34 N ATOM 1619 CA VAL A 107 -12.630 7.772 13.253 1.00 31.51 C ATOM 1620 C VAL A 107 -11.857 7.398 14.513 1.00 52.00 C ATOM 1621 O VAL A 107 -10.704 7.794 14.686 1.00 10.24 O ATOM 1622 CB VAL A 107 -12.317 6.744 12.149 1.00 52.53 C ATOM 1623 CG1 VAL A 107 -12.516 5.328 12.665 1.00 72.40 C ATOM 1624 CG2 VAL A 107 -13.181 7.001 10.923 1.00 34.43 C ATOM 0 H VAL A 107 -11.315 9.308 12.698 1.00 21.34 H new ATOM 0 HA VAL A 107 -13.699 7.752 13.466 1.00 31.51 H new ATOM 0 HB VAL A 107 -11.272 6.854 11.859 1.00 52.53 H new ATOM 0 HG11 VAL A 107 -12.290 4.616 11.871 1.00 72.40 H new ATOM 0 HG12 VAL A 107 -11.851 5.152 13.510 1.00 72.40 H new ATOM 0 HG13 VAL A 107 -13.550 5.199 12.984 1.00 72.40 H new ATOM 0 HG21 VAL A 107 -12.947 6.266 10.153 1.00 34.43 H new ATOM 0 HG22 VAL A 107 -14.233 6.919 11.196 1.00 34.43 H new ATOM 0 HG23 VAL A 107 -12.982 8.002 10.541 1.00 34.43 H new ATOM 1634 N CYS A 108 -12.499 6.633 15.389 1.00 12.41 N ATOM 1635 CA CYS A 108 -11.872 6.206 16.635 1.00 70.23 C ATOM 1636 C CYS A 108 -11.851 4.684 16.738 1.00 3.23 C ATOM 1637 O CYS A 108 -12.898 4.037 16.743 1.00 13.42 O ATOM 1638 CB CYS A 108 -12.613 6.800 17.833 1.00 2.33 C ATOM 1639 SG CYS A 108 -14.406 6.579 17.776 1.00 14.04 S ATOM 0 H CYS A 108 -13.453 6.296 15.260 1.00 12.41 H new ATOM 0 HA CYS A 108 -10.844 6.567 16.638 1.00 70.23 H new ATOM 0 HB2 CYS A 108 -12.230 6.344 18.746 1.00 2.33 H new ATOM 0 HB3 CYS A 108 -12.391 7.865 17.892 1.00 2.33 H new ATOM 0 HG CYS A 108 -14.684 5.414 17.271 1.00 14.04 H new ATOM 1645 N TYR A 109 -10.651 4.119 16.819 1.00 34.13 N ATOM 1646 CA TYR A 109 -10.493 2.673 16.918 1.00 32.14 C ATOM 1647 C TYR A 109 -9.950 2.277 18.288 1.00 64.11 C ATOM 1648 O TYR A 109 -9.357 3.083 19.006 1.00 35.31 O ATOM 1649 CB TYR A 109 -9.558 2.165 15.820 1.00 72.52 C ATOM 1650 CG TYR A 109 -8.429 3.117 15.497 1.00 53.23 C ATOM 1651 CD1 TYR A 109 -8.604 4.146 14.579 1.00 2.01 C ATOM 1652 CD2 TYR A 109 -7.188 2.988 16.108 1.00 54.12 C ATOM 1653 CE1 TYR A 109 -7.575 5.018 14.280 1.00 12.51 C ATOM 1654 CE2 TYR A 109 -6.155 3.857 15.816 1.00 23.31 C ATOM 1655 CZ TYR A 109 -6.353 4.870 14.902 1.00 42.05 C ATOM 1656 OH TYR A 109 -5.325 5.736 14.607 1.00 11.51 O ATOM 0 H TYR A 109 -9.774 4.640 16.818 1.00 34.13 H new ATOM 0 HA TYR A 109 -11.474 2.216 16.790 1.00 32.14 H new ATOM 0 HB2 TYR A 109 -9.138 1.207 16.127 1.00 72.52 H new ATOM 0 HB3 TYR A 109 -10.139 1.983 14.916 1.00 72.52 H new ATOM 0 HD1 TYR A 109 -9.560 4.266 14.091 1.00 2.01 H new ATOM 0 HD2 TYR A 109 -7.028 2.195 16.823 1.00 54.12 H new ATOM 0 HE1 TYR A 109 -7.727 5.811 13.563 1.00 12.51 H new ATOM 0 HE2 TYR A 109 -5.197 3.744 16.301 1.00 23.31 H new ATOM 0 HH TYR A 109 -5.434 6.073 13.693 1.00 11.51 H new ATOM 1666 N PRO A 110 -10.154 1.004 18.659 1.00 14.42 N ATOM 1667 CA PRO A 110 -9.692 0.470 19.944 1.00 51.43 C ATOM 1668 C PRO A 110 -8.174 0.347 20.008 1.00 44.54 C ATOM 1669 O PRO A 110 -7.484 0.333 18.988 1.00 74.05 O ATOM 1670 CB PRO A 110 -10.344 -0.913 20.008 1.00 62.22 C ATOM 1671 CG PRO A 110 -10.566 -1.293 18.585 1.00 72.53 C ATOM 1672 CD PRO A 110 -10.853 -0.011 17.853 1.00 23.23 C ATOM 0 HA PRO A 110 -9.959 1.121 20.776 1.00 51.43 H new ATOM 0 HB2 PRO A 110 -9.699 -1.632 20.514 1.00 62.22 H new ATOM 0 HB3 PRO A 110 -11.283 -0.883 20.561 1.00 62.22 H new ATOM 0 HG2 PRO A 110 -9.688 -1.790 18.172 1.00 72.53 H new ATOM 0 HG3 PRO A 110 -11.399 -1.990 18.493 1.00 72.53 H new ATOM 0 HD2 PRO A 110 -10.479 -0.040 16.830 1.00 23.23 H new ATOM 0 HD3 PRO A 110 -11.923 0.188 17.795 1.00 23.23 H new ATOM 1680 N PRO A 111 -7.638 0.256 21.234 1.00 44.23 N ATOM 1681 CA PRO A 111 -6.195 0.132 21.460 1.00 65.24 C ATOM 1682 C PRO A 111 -5.653 -1.223 21.015 1.00 2.42 C ATOM 1683 O PRO A 111 -6.371 -2.223 21.024 1.00 44.32 O ATOM 1684 CB PRO A 111 -6.058 0.291 22.976 1.00 43.12 C ATOM 1685 CG PRO A 111 -7.377 -0.134 23.522 1.00 51.31 C ATOM 1686 CD PRO A 111 -8.399 0.267 22.494 1.00 30.11 C ATOM 0 HA PRO A 111 -5.628 0.867 20.888 1.00 65.24 H new ATOM 0 HB2 PRO A 111 -5.250 -0.327 23.367 1.00 43.12 H new ATOM 0 HB3 PRO A 111 -5.831 1.322 23.247 1.00 43.12 H new ATOM 0 HG2 PRO A 111 -7.399 -1.210 23.695 1.00 51.31 H new ATOM 0 HG3 PRO A 111 -7.577 0.347 24.479 1.00 51.31 H new ATOM 0 HD2 PRO A 111 -9.235 -0.432 22.465 1.00 30.11 H new ATOM 0 HD3 PRO A 111 -8.815 1.253 22.704 1.00 30.11 H new ATOM 1694 N VAL A 112 -4.382 -1.248 20.627 1.00 24.14 N ATOM 1695 CA VAL A 112 -3.743 -2.481 20.181 1.00 52.40 C ATOM 1696 C VAL A 112 -2.481 -2.768 20.986 1.00 45.05 C ATOM 1697 O VAL A 112 -1.498 -2.030 20.903 1.00 33.42 O ATOM 1698 CB VAL A 112 -3.382 -2.416 18.685 1.00 1.51 C ATOM 1699 CG1 VAL A 112 -2.899 -3.771 18.193 1.00 60.32 C ATOM 1700 CG2 VAL A 112 -4.574 -1.937 17.870 1.00 44.40 C ATOM 0 H VAL A 112 -3.774 -0.429 20.612 1.00 24.14 H new ATOM 0 HA VAL A 112 -4.461 -3.286 20.339 1.00 52.40 H new ATOM 0 HB VAL A 112 -2.571 -1.699 18.555 1.00 1.51 H new ATOM 0 HG11 VAL A 112 -2.649 -3.706 17.134 1.00 60.32 H new ATOM 0 HG12 VAL A 112 -2.015 -4.069 18.757 1.00 60.32 H new ATOM 0 HG13 VAL A 112 -3.686 -4.511 18.335 1.00 60.32 H new ATOM 0 HG21 VAL A 112 -4.301 -1.897 16.815 1.00 44.40 H new ATOM 0 HG22 VAL A 112 -5.407 -2.627 18.003 1.00 44.40 H new ATOM 0 HG23 VAL A 112 -4.869 -0.943 18.206 1.00 44.40 H new ATOM 1710 N ASP A 113 -2.513 -3.845 21.763 1.00 54.23 N ATOM 1711 CA ASP A 113 -1.371 -4.232 22.582 1.00 44.31 C ATOM 1712 C ASP A 113 -0.579 -5.353 21.916 1.00 74.12 C ATOM 1713 O ASP A 113 -1.155 -6.302 21.382 1.00 41.24 O ATOM 1714 CB ASP A 113 -1.837 -4.674 23.970 1.00 72.45 C ATOM 1715 CG ASP A 113 -2.344 -6.103 23.981 1.00 25.45 C ATOM 1716 OD1 ASP A 113 -3.326 -6.390 23.266 1.00 63.30 O ATOM 1717 OD2 ASP A 113 -1.758 -6.935 24.707 1.00 51.40 O ATOM 0 H ASP A 113 -3.318 -4.466 21.843 1.00 54.23 H new ATOM 0 HA ASP A 113 -0.720 -3.364 22.686 1.00 44.31 H new ATOM 0 HB2 ASP A 113 -1.011 -4.579 24.675 1.00 72.45 H new ATOM 0 HB3 ASP A 113 -2.628 -4.008 24.314 1.00 72.45 H new ATOM 1722 N THR A 114 0.745 -5.238 21.950 1.00 14.41 N ATOM 1723 CA THR A 114 1.615 -6.240 21.348 1.00 0.41 C ATOM 1724 C THR A 114 2.922 -6.369 22.122 1.00 50.00 C ATOM 1725 O THR A 114 3.630 -5.384 22.331 1.00 72.35 O ATOM 1726 CB THR A 114 1.933 -5.899 19.880 1.00 54.21 C ATOM 1727 OG1 THR A 114 1.349 -4.638 19.532 1.00 31.33 O ATOM 1728 CG2 THR A 114 1.408 -6.981 18.948 1.00 41.54 C ATOM 0 H THR A 114 1.238 -4.460 22.388 1.00 14.41 H new ATOM 0 HA THR A 114 1.078 -7.188 21.385 1.00 0.41 H new ATOM 0 HB THR A 114 3.016 -5.840 19.770 1.00 54.21 H new ATOM 0 HG1 THR A 114 1.981 -4.124 18.987 1.00 31.33 H new ATOM 0 HG21 THR A 114 1.644 -6.719 17.917 1.00 41.54 H new ATOM 0 HG22 THR A 114 1.876 -7.934 19.196 1.00 41.54 H new ATOM 0 HG23 THR A 114 0.327 -7.067 19.062 1.00 41.54 H new ATOM 1736 N GLU A 115 3.236 -7.590 22.545 1.00 50.35 N ATOM 1737 CA GLU A 115 4.459 -7.846 23.296 1.00 61.21 C ATOM 1738 C GLU A 115 5.501 -8.536 22.420 1.00 31.42 C ATOM 1739 O GLU A 115 5.167 -9.373 21.580 1.00 12.55 O ATOM 1740 CB GLU A 115 4.158 -8.707 24.524 1.00 23.24 C ATOM 1741 CG GLU A 115 3.431 -7.959 25.629 1.00 5.21 C ATOM 1742 CD GLU A 115 1.976 -7.694 25.295 1.00 44.34 C ATOM 1743 OE1 GLU A 115 1.369 -8.527 24.589 1.00 3.33 O ATOM 1744 OE2 GLU A 115 1.445 -6.654 25.737 1.00 20.25 O ATOM 0 H GLU A 115 2.661 -8.416 22.380 1.00 50.35 H new ATOM 0 HA GLU A 115 4.862 -6.887 23.623 1.00 61.21 H new ATOM 0 HB2 GLU A 115 3.555 -9.562 24.219 1.00 23.24 H new ATOM 0 HB3 GLU A 115 5.094 -9.101 24.919 1.00 23.24 H new ATOM 0 HG2 GLU A 115 3.489 -8.536 26.552 1.00 5.21 H new ATOM 0 HG3 GLU A 115 3.936 -7.011 25.814 1.00 5.21 H new ATOM 1751 N PHE A 116 6.765 -8.180 22.622 1.00 0.41 N ATOM 1752 CA PHE A 116 7.856 -8.763 21.851 1.00 45.45 C ATOM 1753 C PHE A 116 8.888 -9.408 22.770 1.00 24.55 C ATOM 1754 O PHE A 116 9.405 -8.769 23.688 1.00 74.55 O ATOM 1755 CB PHE A 116 8.526 -7.693 20.986 1.00 43.42 C ATOM 1756 CG PHE A 116 7.562 -6.925 20.128 1.00 14.52 C ATOM 1757 CD1 PHE A 116 6.666 -7.588 19.305 1.00 44.22 C ATOM 1758 CD2 PHE A 116 7.551 -5.539 20.145 1.00 34.12 C ATOM 1759 CE1 PHE A 116 5.777 -6.884 18.515 1.00 60.14 C ATOM 1760 CE2 PHE A 116 6.663 -4.830 19.358 1.00 64.13 C ATOM 1761 CZ PHE A 116 5.776 -5.503 18.540 1.00 24.34 C ATOM 0 H PHE A 116 7.059 -7.490 23.313 1.00 0.41 H new ATOM 0 HA PHE A 116 7.438 -9.535 21.205 1.00 45.45 H new ATOM 0 HB2 PHE A 116 9.059 -6.996 21.633 1.00 43.42 H new ATOM 0 HB3 PHE A 116 9.270 -8.168 20.347 1.00 43.42 H new ATOM 0 HD1 PHE A 116 6.662 -8.668 19.281 1.00 44.22 H new ATOM 0 HD2 PHE A 116 8.244 -5.007 20.780 1.00 34.12 H new ATOM 0 HE1 PHE A 116 5.083 -7.413 17.878 1.00 60.14 H new ATOM 0 HE2 PHE A 116 6.663 -3.750 19.383 1.00 64.13 H new ATOM 0 HZ PHE A 116 5.084 -4.951 17.922 1.00 24.34 H new ATOM 1771 N ASP A 117 9.183 -10.679 22.519 1.00 44.04 N ATOM 1772 CA ASP A 117 10.154 -11.413 23.323 1.00 53.40 C ATOM 1773 C ASP A 117 11.567 -11.217 22.782 1.00 14.01 C ATOM 1774 O ASP A 117 11.887 -11.663 21.680 1.00 50.00 O ATOM 1775 CB ASP A 117 9.805 -12.902 23.348 1.00 5.31 C ATOM 1776 CG ASP A 117 8.789 -13.241 24.421 1.00 5.30 C ATOM 1777 OD1 ASP A 117 9.195 -13.409 25.590 1.00 42.42 O ATOM 1778 OD2 ASP A 117 7.589 -13.339 24.092 1.00 54.13 O ATOM 0 H ASP A 117 8.763 -11.223 21.765 1.00 44.04 H new ATOM 0 HA ASP A 117 10.117 -11.022 24.340 1.00 53.40 H new ATOM 0 HB2 ASP A 117 9.413 -13.197 22.375 1.00 5.31 H new ATOM 0 HB3 ASP A 117 10.713 -13.482 23.515 1.00 5.31 H new ATOM 1783 N ILE A 118 12.406 -10.547 23.564 1.00 4.00 N ATOM 1784 CA ILE A 118 13.784 -10.293 23.163 1.00 5.51 C ATOM 1785 C ILE A 118 14.728 -11.343 23.740 1.00 54.12 C ATOM 1786 O ILE A 118 14.722 -11.604 24.943 1.00 60.30 O ATOM 1787 CB ILE A 118 14.253 -8.896 23.613 1.00 71.02 C ATOM 1788 CG1 ILE A 118 13.141 -7.867 23.396 1.00 23.14 C ATOM 1789 CG2 ILE A 118 15.511 -8.491 22.859 1.00 30.22 C ATOM 1790 CD1 ILE A 118 12.696 -7.753 21.955 1.00 2.32 C ATOM 0 H ILE A 118 12.156 -10.170 24.478 1.00 4.00 H new ATOM 0 HA ILE A 118 13.810 -10.344 22.074 1.00 5.51 H new ATOM 0 HB ILE A 118 14.487 -8.932 24.677 1.00 71.02 H new ATOM 0 HG12 ILE A 118 12.283 -8.136 24.012 1.00 23.14 H new ATOM 0 HG13 ILE A 118 13.487 -6.892 23.739 1.00 23.14 H new ATOM 0 HG21 ILE A 118 15.830 -7.502 23.188 1.00 30.22 H new ATOM 0 HG22 ILE A 118 16.303 -9.213 23.059 1.00 30.22 H new ATOM 0 HG23 ILE A 118 15.303 -8.468 21.789 1.00 30.22 H new ATOM 0 HD11 ILE A 118 11.906 -7.006 21.876 1.00 2.32 H new ATOM 0 HD12 ILE A 118 13.542 -7.454 21.336 1.00 2.32 H new ATOM 0 HD13 ILE A 118 12.319 -8.717 21.613 1.00 2.32 H new ATOM 1802 N PHE A 119 15.539 -11.941 22.874 1.00 75.43 N ATOM 1803 CA PHE A 119 16.489 -12.963 23.297 1.00 61.23 C ATOM 1804 C PHE A 119 17.642 -13.078 22.304 1.00 42.41 C ATOM 1805 O PHE A 119 18.217 -14.150 22.125 1.00 62.35 O ATOM 1806 CB PHE A 119 15.787 -14.315 23.439 1.00 62.34 C ATOM 1807 CG PHE A 119 14.718 -14.547 22.409 1.00 1.33 C ATOM 1808 CD1 PHE A 119 14.982 -14.357 21.062 1.00 22.43 C ATOM 1809 CD2 PHE A 119 13.449 -14.954 22.789 1.00 63.04 C ATOM 1810 CE1 PHE A 119 14.000 -14.569 20.113 1.00 11.14 C ATOM 1811 CE2 PHE A 119 12.463 -15.167 21.844 1.00 30.50 C ATOM 1812 CZ PHE A 119 12.739 -14.976 20.505 1.00 41.44 C ATOM 0 H PHE A 119 15.557 -11.736 21.875 1.00 75.43 H new ATOM 0 HA PHE A 119 16.894 -12.668 24.265 1.00 61.23 H new ATOM 0 HB2 PHE A 119 16.529 -15.110 23.366 1.00 62.34 H new ATOM 0 HB3 PHE A 119 15.344 -14.383 24.433 1.00 62.34 H new ATOM 0 HD1 PHE A 119 15.966 -14.040 20.750 1.00 22.43 H new ATOM 0 HD2 PHE A 119 13.228 -15.106 23.835 1.00 63.04 H new ATOM 0 HE1 PHE A 119 14.218 -14.417 19.066 1.00 11.14 H new ATOM 0 HE2 PHE A 119 11.477 -15.483 22.153 1.00 30.50 H new ATOM 0 HZ PHE A 119 11.971 -15.144 19.765 1.00 41.44 H new ATOM 1822 N GLY A 120 17.974 -11.962 21.660 1.00 22.52 N ATOM 1823 CA GLY A 120 19.056 -11.958 20.693 1.00 70.41 C ATOM 1824 C GLY A 120 18.563 -12.134 19.270 1.00 35.24 C ATOM 1825 O GLY A 120 18.234 -13.244 18.853 1.00 0.22 O ATOM 0 H GLY A 120 17.513 -11.062 21.791 1.00 22.52 H new ATOM 0 HA2 GLY A 120 19.605 -11.019 20.771 1.00 70.41 H new ATOM 0 HA3 GLY A 120 19.757 -12.758 20.933 1.00 70.41 H new ATOM 1829 N ASN A 121 18.509 -11.036 18.524 1.00 13.54 N ATOM 1830 CA ASN A 121 18.049 -11.073 17.141 1.00 62.02 C ATOM 1831 C ASN A 121 18.127 -9.689 16.504 1.00 0.31 C ATOM 1832 O ASN A 121 18.589 -9.539 15.374 1.00 52.13 O ATOM 1833 CB ASN A 121 16.614 -11.598 17.072 1.00 32.32 C ATOM 1834 CG ASN A 121 16.431 -12.641 15.986 1.00 20.04 C ATOM 1835 OD1 ASN A 121 17.217 -13.582 15.876 1.00 72.25 O ATOM 1836 ND2 ASN A 121 15.390 -12.477 15.178 1.00 30.34 N ATOM 0 H ASN A 121 18.778 -10.109 18.854 1.00 13.54 H new ATOM 0 HA ASN A 121 18.702 -11.746 16.586 1.00 62.02 H new ATOM 0 HB2 ASN A 121 16.341 -12.029 18.035 1.00 32.32 H new ATOM 0 HB3 ASN A 121 15.934 -10.766 16.891 1.00 32.32 H new ATOM 0 HD21 ASN A 121 15.216 -13.147 14.429 1.00 30.34 H new ATOM 0 HD22 ASN A 121 14.765 -11.682 15.307 1.00 30.34 H new ATOM 1843 N GLY A 122 17.672 -8.679 17.239 1.00 11.53 N ATOM 1844 CA GLY A 122 17.699 -7.320 16.731 1.00 42.43 C ATOM 1845 C GLY A 122 16.346 -6.863 16.223 1.00 72.42 C ATOM 1846 O GLY A 122 15.674 -6.055 16.864 1.00 55.45 O ATOM 0 H GLY A 122 17.285 -8.778 18.178 1.00 11.53 H new ATOM 0 HA2 GLY A 122 18.033 -6.647 17.521 1.00 42.43 H new ATOM 0 HA3 GLY A 122 18.428 -7.252 15.924 1.00 42.43 H new ATOM 1850 N THR A 123 15.944 -7.381 15.066 1.00 30.42 N ATOM 1851 CA THR A 123 14.664 -7.021 14.471 1.00 54.51 C ATOM 1852 C THR A 123 13.553 -7.949 14.950 1.00 65.13 C ATOM 1853 O THR A 123 13.724 -9.168 14.988 1.00 53.10 O ATOM 1854 CB THR A 123 14.727 -7.065 12.933 1.00 72.25 C ATOM 1855 OG1 THR A 123 16.055 -6.766 12.488 1.00 73.01 O ATOM 1856 CG2 THR A 123 13.747 -6.075 12.322 1.00 51.23 C ATOM 0 H THR A 123 16.488 -8.052 14.523 1.00 30.42 H new ATOM 0 HA THR A 123 14.444 -6.002 14.789 1.00 54.51 H new ATOM 0 HB THR A 123 14.453 -8.069 12.609 1.00 72.25 H new ATOM 0 HG1 THR A 123 16.087 -6.798 11.509 1.00 73.01 H new ATOM 0 HG21 THR A 123 13.810 -6.125 11.235 1.00 51.23 H new ATOM 0 HG22 THR A 123 12.734 -6.323 12.639 1.00 51.23 H new ATOM 0 HG23 THR A 123 13.994 -5.067 12.654 1.00 51.23 H new ATOM 1864 N TYR A 124 12.417 -7.366 15.313 1.00 12.13 N ATOM 1865 CA TYR A 124 11.279 -8.142 15.791 1.00 14.35 C ATOM 1866 C TYR A 124 9.967 -7.561 15.273 1.00 53.32 C ATOM 1867 O TYR A 124 9.868 -6.363 15.002 1.00 22.35 O ATOM 1868 CB TYR A 124 11.265 -8.176 17.321 1.00 74.54 C ATOM 1869 CG TYR A 124 12.531 -8.739 17.925 1.00 20.41 C ATOM 1870 CD1 TYR A 124 13.684 -7.969 18.015 1.00 15.25 C ATOM 1871 CD2 TYR A 124 12.575 -10.042 18.407 1.00 74.11 C ATOM 1872 CE1 TYR A 124 14.843 -8.480 18.566 1.00 11.52 C ATOM 1873 CE2 TYR A 124 13.729 -10.561 18.961 1.00 42.43 C ATOM 1874 CZ TYR A 124 14.861 -9.776 19.038 1.00 53.44 C ATOM 1875 OH TYR A 124 16.013 -10.288 19.588 1.00 2.43 O ATOM 0 H TYR A 124 12.259 -6.359 15.286 1.00 12.13 H new ATOM 0 HA TYR A 124 11.380 -9.159 15.412 1.00 14.35 H new ATOM 0 HB2 TYR A 124 11.111 -7.165 17.697 1.00 74.54 H new ATOM 0 HB3 TYR A 124 10.416 -8.773 17.655 1.00 74.54 H new ATOM 0 HD1 TYR A 124 13.674 -6.953 17.648 1.00 15.25 H new ATOM 0 HD2 TYR A 124 11.691 -10.660 18.347 1.00 74.11 H new ATOM 0 HE1 TYR A 124 15.731 -7.868 18.627 1.00 11.52 H new ATOM 0 HE2 TYR A 124 13.745 -11.575 19.332 1.00 42.43 H new ATOM 0 HH TYR A 124 15.952 -10.253 20.566 1.00 2.43 H new ATOM 1885 N HIS A 125 8.960 -8.418 15.137 1.00 61.22 N ATOM 1886 CA HIS A 125 7.652 -7.991 14.652 1.00 64.32 C ATOM 1887 C HIS A 125 6.540 -8.818 15.289 1.00 20.32 C ATOM 1888 O HIS A 125 6.741 -9.961 15.702 1.00 43.22 O ATOM 1889 CB HIS A 125 7.585 -8.112 13.129 1.00 23.31 C ATOM 1890 CG HIS A 125 8.199 -6.952 12.408 1.00 12.54 C ATOM 1891 ND1 HIS A 125 7.455 -5.927 11.862 1.00 3.21 N ATOM 1892 CD2 HIS A 125 9.494 -6.656 12.147 1.00 15.20 C ATOM 1893 CE1 HIS A 125 8.266 -5.052 11.294 1.00 0.23 C ATOM 1894 NE2 HIS A 125 9.509 -5.471 11.454 1.00 55.43 N ATOM 0 H HIS A 125 9.025 -9.412 15.356 1.00 61.22 H new ATOM 0 HA HIS A 125 7.511 -6.947 14.933 1.00 64.32 H new ATOM 0 HB2 HIS A 125 8.090 -9.028 12.823 1.00 23.31 H new ATOM 0 HB3 HIS A 125 6.542 -8.207 12.826 1.00 23.31 H new ATOM 0 HD1 HIS A 125 6.438 -5.856 11.892 1.00 3.21 H new ATOM 0 HD2 HIS A 125 10.355 -7.243 12.431 1.00 15.20 H new ATOM 0 HE1 HIS A 125 7.964 -4.148 10.786 1.00 0.23 H new ATOM 1902 N PRO A 126 5.338 -8.229 15.373 1.00 32.52 N ATOM 1903 CA PRO A 126 4.170 -8.894 15.959 1.00 1.04 C ATOM 1904 C PRO A 126 3.658 -10.038 15.092 1.00 72.35 C ATOM 1905 O PRO A 126 3.668 -9.950 13.864 1.00 21.21 O ATOM 1906 CB PRO A 126 3.128 -7.775 16.039 1.00 62.31 C ATOM 1907 CG PRO A 126 3.525 -6.812 14.974 1.00 10.33 C ATOM 1908 CD PRO A 126 5.026 -6.870 14.902 1.00 52.23 C ATOM 0 HA PRO A 126 4.401 -9.350 16.922 1.00 1.04 H new ATOM 0 HB2 PRO A 126 2.122 -8.158 15.871 1.00 62.31 H new ATOM 0 HB3 PRO A 126 3.129 -7.302 17.021 1.00 62.31 H new ATOM 0 HG2 PRO A 126 3.078 -7.082 14.017 1.00 10.33 H new ATOM 0 HG3 PRO A 126 3.184 -5.804 15.212 1.00 10.33 H new ATOM 0 HD2 PRO A 126 5.386 -6.704 13.887 1.00 52.23 H new ATOM 0 HD3 PRO A 126 5.488 -6.110 15.532 1.00 52.23 H new ATOM 1916 N GLN A 127 3.210 -11.110 15.737 1.00 23.34 N ATOM 1917 CA GLN A 127 2.694 -12.272 15.023 1.00 43.11 C ATOM 1918 C GLN A 127 1.173 -12.222 14.930 1.00 71.21 C ATOM 1919 O GLN A 127 0.487 -13.186 15.272 1.00 71.11 O ATOM 1920 CB GLN A 127 3.133 -13.561 15.719 1.00 33.41 C ATOM 1921 CG GLN A 127 4.604 -13.890 15.522 1.00 51.52 C ATOM 1922 CD GLN A 127 4.817 -15.132 14.679 1.00 12.32 C ATOM 1923 OE1 GLN A 127 4.861 -15.062 13.451 1.00 61.44 O ATOM 1924 NE2 GLN A 127 4.950 -16.278 15.337 1.00 43.43 N ATOM 0 H GLN A 127 3.194 -11.198 16.753 1.00 23.34 H new ATOM 0 HA GLN A 127 3.102 -12.257 14.012 1.00 43.11 H new ATOM 0 HB2 GLN A 127 2.929 -13.475 16.786 1.00 33.41 H new ATOM 0 HB3 GLN A 127 2.531 -14.389 15.345 1.00 33.41 H new ATOM 0 HG2 GLN A 127 5.101 -13.044 15.047 1.00 51.52 H new ATOM 0 HG3 GLN A 127 5.074 -14.031 16.495 1.00 51.52 H new ATOM 0 HE21 GLN A 127 4.907 -16.289 16.356 1.00 43.43 H new ATOM 0 HE22 GLN A 127 5.095 -17.147 14.823 1.00 43.43 H new ATOM 1933 N THR A 128 0.650 -11.092 14.465 1.00 52.21 N ATOM 1934 CA THR A 128 -0.790 -10.915 14.328 1.00 34.53 C ATOM 1935 C THR A 128 -1.500 -11.132 15.660 1.00 24.12 C ATOM 1936 O THR A 128 -0.890 -11.026 16.725 1.00 65.35 O ATOM 1937 CB THR A 128 -1.378 -11.883 13.283 1.00 12.44 C ATOM 1938 OG1 THR A 128 -0.528 -11.936 12.132 1.00 21.25 O ATOM 1939 CG2 THR A 128 -2.775 -11.447 12.868 1.00 13.22 C ATOM 0 H THR A 128 1.203 -10.285 14.177 1.00 52.21 H new ATOM 0 HA THR A 128 -0.952 -9.890 13.995 1.00 34.53 H new ATOM 0 HB THR A 128 -1.442 -12.874 13.733 1.00 12.44 H new ATOM 0 HG1 THR A 128 -0.907 -12.554 11.473 1.00 21.25 H new ATOM 0 HG21 THR A 128 -3.170 -12.145 12.130 1.00 13.22 H new ATOM 0 HG22 THR A 128 -3.427 -11.435 13.741 1.00 13.22 H new ATOM 0 HG23 THR A 128 -2.731 -10.448 12.435 1.00 13.22 H new