USER MOD reduce.3.24.130724 H: found=0, std=0, add=1159, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1158 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 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 118 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 32 LYS NZ :NH3+ -139:sc= 1.25 (180deg=0) USER MOD Set 2.2: A 112 GLN : amide:sc= 0.274 K(o=1.5,f=-5.6) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 22:sc= 0.314 USER MOD Single : A 22 SER OG : rot -45:sc= 0.0718 USER MOD Single : A 23 SER OG : rot -17:sc= 1.2 USER MOD Single : A 27 GLN : amide:sc= 2.85 K(o=2.9,f=-9.3!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -178:sc= -0.024 USER MOD Single : A 36 LYS NZ :NH3+ 143:sc= 1.25 (180deg=0.215) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.661 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 152:sc= 0.401 (180deg=0.116) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -47:sc= 1.23 USER MOD Single : A 67 MET CE :methyl -124:sc= -0.115 (180deg=-0.232) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -142:sc= 1.14 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0499 USER MOD Single : A 87 ASN : amide:sc= -0.158 X(o=-0.16,f=-0.48) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS :FLIP no HD1:sc= -0.476 F(o=-1.1,f=-0.48) USER MOD Single : A 92 LYS NZ :NH3+ 166:sc= 0.322 (180deg=0.224) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 40:sc= 0.838 USER MOD Single : A 122 CYS SG : rot 148:sc= 0.0269 USER MOD Single : A 123 TYR OH : rot -64:sc= 1.11 USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 TYR OH : rot 4:sc= -0.0868 USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 GLN : amide:sc= -0.274 X(o=-0.27,f=-0.33) USER MOD Single : A 139 THR OG1 : rot 86:sc= 0.172 USER MOD Single : A 141 GLN : amide:sc= -0.0391 K(o=-0.039,f=-0.67) USER MOD Single : A 142 ASN : amide:sc= 0.927 K(o=0.93,f=0) USER MOD Single : A 144 LYS NZ :NH3+ 176:sc= -0.498 (180deg=-0.58) USER MOD Single : A 147 ASN : amide:sc= -0.17 K(o=-0.17,f=-4.7!) USER MOD Single : A 151 LYS NZ :NH3+ -117:sc= 0.738 (180deg=-0.561) USER MOD Single : A 154 HIS : no HD1:sc= 0 X(o=0,f=-0.059) USER MOD ----------------------------------------------------------------- ATOM 110 N ASP A 9 -24.087 -3.212 -8.154 1.00 41.22 N ATOM 111 CA ASP A 9 -23.477 -2.612 -9.344 1.00 44.41 C ATOM 112 C ASP A 9 -21.961 -2.417 -9.184 1.00 12.42 C ATOM 113 O ASP A 9 -21.311 -1.751 -9.996 1.00 23.51 O ATOM 114 CB ASP A 9 -24.186 -1.295 -9.703 1.00 45.30 C ATOM 115 CG ASP A 9 -25.631 -1.449 -10.195 1.00 24.24 C ATOM 116 OD1 ASP A 9 -26.237 -2.538 -10.102 1.00 12.25 O ATOM 117 OD2 ASP A 9 -26.202 -0.452 -10.704 1.00 1.01 O ATOM 0 HA ASP A 9 -23.610 -3.308 -10.172 1.00 44.41 H new ATOM 0 HB2 ASP A 9 -24.184 -0.648 -8.826 1.00 45.30 H new ATOM 0 HB3 ASP A 9 -23.608 -0.787 -10.475 1.00 45.30 H new ATOM 122 N GLY A 10 -21.385 -3.001 -8.138 1.00 74.13 N ATOM 123 CA GLY A 10 -20.009 -2.906 -7.708 1.00 64.12 C ATOM 124 C GLY A 10 -20.005 -2.714 -6.197 1.00 31.13 C ATOM 125 O GLY A 10 -20.983 -2.233 -5.619 1.00 10.11 O ATOM 0 H GLY A 10 -21.925 -3.606 -7.519 1.00 74.13 H new ATOM 0 HA2 GLY A 10 -19.461 -3.808 -7.980 1.00 64.12 H new ATOM 0 HA3 GLY A 10 -19.512 -2.070 -8.200 1.00 64.12 H new ATOM 129 N GLU A 11 -18.911 -3.101 -5.559 1.00 54.00 N ATOM 130 CA GLU A 11 -18.640 -2.854 -4.155 1.00 5.35 C ATOM 131 C GLU A 11 -18.360 -1.366 -3.895 1.00 2.42 C ATOM 132 O GLU A 11 -17.975 -0.627 -4.800 1.00 54.11 O ATOM 133 CB GLU A 11 -17.383 -3.631 -3.764 1.00 11.14 C ATOM 134 CG GLU A 11 -17.549 -4.578 -2.599 1.00 30.24 C ATOM 135 CD GLU A 11 -16.318 -5.482 -2.389 1.00 65.23 C ATOM 136 OE1 GLU A 11 -15.171 -4.958 -2.448 1.00 70.24 O ATOM 137 OE2 GLU A 11 -16.466 -6.666 -2.023 1.00 4.43 O ATOM 0 H GLU A 11 -18.162 -3.614 -6.023 1.00 54.00 H new ATOM 0 HA GLU A 11 -19.511 -3.163 -3.577 1.00 5.35 H new ATOM 0 HB2 GLU A 11 -17.043 -4.201 -4.629 1.00 11.14 H new ATOM 0 HB3 GLU A 11 -16.595 -2.918 -3.523 1.00 11.14 H new ATOM 0 HG2 GLU A 11 -17.732 -4.003 -1.691 1.00 30.24 H new ATOM 0 HG3 GLU A 11 -18.428 -5.201 -2.764 1.00 30.24 H new ATOM 144 N ASP A 12 -18.369 -0.948 -2.630 1.00 65.54 N ATOM 145 CA ASP A 12 -18.059 0.428 -2.232 1.00 10.25 C ATOM 146 C ASP A 12 -16.593 0.605 -1.849 1.00 50.30 C ATOM 147 O ASP A 12 -15.984 -0.319 -1.310 1.00 13.41 O ATOM 148 CB ASP A 12 -18.874 0.763 -0.993 1.00 13.31 C ATOM 149 CG ASP A 12 -18.957 2.285 -0.808 1.00 32.15 C ATOM 150 OD1 ASP A 12 -19.568 2.968 -1.661 1.00 23.32 O ATOM 151 OD2 ASP A 12 -18.306 2.776 0.148 1.00 2.34 O ATOM 0 H ASP A 12 -18.593 -1.559 -1.844 1.00 65.54 H new ATOM 0 HA ASP A 12 -18.287 1.072 -3.081 1.00 10.25 H new ATOM 0 HB2 ASP A 12 -19.877 0.345 -1.085 1.00 13.31 H new ATOM 0 HB3 ASP A 12 -18.418 0.307 -0.114 1.00 13.31 H new ATOM 156 N PHE A 13 -16.020 1.796 -2.014 1.00 63.12 N ATOM 157 CA PHE A 13 -14.640 2.043 -1.596 1.00 1.24 C ATOM 158 C PHE A 13 -14.442 2.007 -0.077 1.00 13.11 C ATOM 159 O PHE A 13 -13.330 1.808 0.404 1.00 73.40 O ATOM 160 CB PHE A 13 -14.134 3.381 -2.159 1.00 10.25 C ATOM 161 CG PHE A 13 -15.142 4.510 -2.311 1.00 24.05 C ATOM 162 CD1 PHE A 13 -15.787 5.063 -1.186 1.00 43.23 C ATOM 163 CD2 PHE A 13 -15.424 5.024 -3.592 1.00 1.33 C ATOM 164 CE1 PHE A 13 -16.734 6.087 -1.348 1.00 50.21 C ATOM 165 CE2 PHE A 13 -16.351 6.068 -3.748 1.00 12.41 C ATOM 166 CZ PHE A 13 -17.014 6.594 -2.627 1.00 51.31 C ATOM 0 H PHE A 13 -16.486 2.601 -2.432 1.00 63.12 H new ATOM 0 HA PHE A 13 -14.053 1.222 -2.007 1.00 1.24 H new ATOM 0 HB2 PHE A 13 -13.330 3.734 -1.513 1.00 10.25 H new ATOM 0 HB3 PHE A 13 -13.696 3.189 -3.138 1.00 10.25 H new ATOM 0 HD1 PHE A 13 -15.552 4.698 -0.197 1.00 43.23 H new ATOM 0 HD2 PHE A 13 -14.925 4.614 -4.458 1.00 1.33 H new ATOM 0 HE1 PHE A 13 -17.249 6.486 -0.486 1.00 50.21 H new ATOM 0 HE2 PHE A 13 -16.554 6.467 -4.731 1.00 12.41 H new ATOM 0 HZ PHE A 13 -17.737 7.387 -2.749 1.00 51.31 H new ATOM 176 N LYS A 14 -15.475 2.246 0.720 1.00 22.41 N ATOM 177 CA LYS A 14 -15.399 2.271 2.182 1.00 1.22 C ATOM 178 C LYS A 14 -15.668 0.883 2.743 1.00 71.24 C ATOM 179 O LYS A 14 -15.079 0.513 3.757 1.00 63.33 O ATOM 180 CB LYS A 14 -16.422 3.303 2.684 1.00 2.42 C ATOM 181 CG LYS A 14 -16.166 3.851 4.092 1.00 12.25 C ATOM 182 CD LYS A 14 -14.810 4.561 4.227 1.00 52.13 C ATOM 183 CE LYS A 14 -14.806 5.456 5.469 1.00 42.21 C ATOM 184 NZ LYS A 14 -13.440 5.842 5.874 1.00 33.43 N ATOM 0 H LYS A 14 -16.412 2.433 0.364 1.00 22.41 H new ATOM 0 HA LYS A 14 -14.403 2.559 2.520 1.00 1.22 H new ATOM 0 HB2 LYS A 14 -16.442 4.139 1.985 1.00 2.42 H new ATOM 0 HB3 LYS A 14 -17.412 2.847 2.664 1.00 2.42 H new ATOM 0 HG2 LYS A 14 -16.962 4.548 4.354 1.00 12.25 H new ATOM 0 HG3 LYS A 14 -16.212 3.031 4.808 1.00 12.25 H new ATOM 0 HD2 LYS A 14 -14.010 3.824 4.298 1.00 52.13 H new ATOM 0 HD3 LYS A 14 -14.614 5.159 3.337 1.00 52.13 H new ATOM 0 HE2 LYS A 14 -15.391 6.354 5.270 1.00 42.21 H new ATOM 0 HE3 LYS A 14 -15.293 4.934 6.292 1.00 42.21 H new ATOM 0 HZ1 LYS A 14 -13.486 6.447 6.719 1.00 33.43 H new ATOM 0 HZ2 LYS A 14 -12.888 4.988 6.090 1.00 33.43 H new ATOM 0 HZ3 LYS A 14 -12.982 6.363 5.099 1.00 33.43 H new ATOM 198 N SER A 15 -16.482 0.094 2.035 1.00 41.23 N ATOM 199 CA SER A 15 -16.769 -1.285 2.376 1.00 1.14 C ATOM 200 C SER A 15 -15.458 -2.069 2.489 1.00 4.12 C ATOM 201 O SER A 15 -15.191 -2.635 3.547 1.00 45.34 O ATOM 202 CB SER A 15 -17.757 -1.874 1.357 1.00 63.31 C ATOM 203 OG SER A 15 -18.261 -3.131 1.750 1.00 2.24 O ATOM 0 H SER A 15 -16.965 0.411 1.194 1.00 41.23 H new ATOM 0 HA SER A 15 -17.254 -1.352 3.350 1.00 1.14 H new ATOM 0 HB2 SER A 15 -18.587 -1.181 1.220 1.00 63.31 H new ATOM 0 HB3 SER A 15 -17.261 -1.972 0.391 1.00 63.31 H new ATOM 0 HG SER A 15 -18.885 -3.461 1.070 1.00 2.24 H new ATOM 209 N PHE A 16 -14.607 -2.091 1.451 1.00 22.12 N ATOM 210 CA PHE A 16 -13.420 -2.946 1.496 1.00 13.53 C ATOM 211 C PHE A 16 -12.421 -2.425 2.526 1.00 54.41 C ATOM 212 O PHE A 16 -11.657 -3.236 3.055 1.00 22.25 O ATOM 213 CB PHE A 16 -12.733 -3.158 0.127 1.00 11.32 C ATOM 214 CG PHE A 16 -11.673 -2.143 -0.219 1.00 23.45 C ATOM 215 CD1 PHE A 16 -12.052 -0.853 -0.613 1.00 32.21 C ATOM 216 CD2 PHE A 16 -10.311 -2.464 -0.053 1.00 45.11 C ATOM 217 CE1 PHE A 16 -11.071 0.133 -0.784 1.00 71.42 C ATOM 218 CE2 PHE A 16 -9.330 -1.477 -0.237 1.00 64.43 C ATOM 219 CZ PHE A 16 -9.717 -0.174 -0.587 1.00 34.44 C ATOM 0 H PHE A 16 -14.716 -1.544 0.597 1.00 22.12 H new ATOM 0 HA PHE A 16 -13.779 -3.930 1.797 1.00 13.53 H new ATOM 0 HB2 PHE A 16 -12.282 -4.150 0.114 1.00 11.32 H new ATOM 0 HB3 PHE A 16 -13.496 -3.144 -0.651 1.00 11.32 H new ATOM 0 HD1 PHE A 16 -13.093 -0.620 -0.784 1.00 32.21 H new ATOM 0 HD2 PHE A 16 -10.022 -3.469 0.216 1.00 45.11 H new ATOM 0 HE1 PHE A 16 -11.359 1.134 -1.069 1.00 71.42 H new ATOM 0 HE2 PHE A 16 -8.285 -1.718 -0.110 1.00 64.43 H new ATOM 0 HZ PHE A 16 -8.969 0.596 -0.705 1.00 34.44 H new ATOM 229 N LEU A 17 -12.425 -1.107 2.795 1.00 25.04 N ATOM 230 CA LEU A 17 -11.381 -0.458 3.592 1.00 44.44 C ATOM 231 C LEU A 17 -11.394 -0.943 5.049 1.00 2.24 C ATOM 232 O LEU A 17 -10.342 -1.027 5.688 1.00 3.21 O ATOM 233 CB LEU A 17 -11.530 1.074 3.483 1.00 63.13 C ATOM 234 CG LEU A 17 -10.230 1.907 3.547 1.00 44.33 C ATOM 235 CD1 LEU A 17 -9.506 1.865 4.890 1.00 51.13 C ATOM 236 CD2 LEU A 17 -9.224 1.543 2.448 1.00 13.23 C ATOM 0 H LEU A 17 -13.150 -0.469 2.466 1.00 25.04 H new ATOM 0 HA LEU A 17 -10.406 -0.737 3.193 1.00 44.44 H new ATOM 0 HB2 LEU A 17 -12.032 1.300 2.543 1.00 63.13 H new ATOM 0 HB3 LEU A 17 -12.188 1.409 4.285 1.00 63.13 H new ATOM 0 HG LEU A 17 -10.595 2.922 3.393 1.00 44.33 H new ATOM 0 HD11 LEU A 17 -8.607 2.479 4.838 1.00 51.13 H new ATOM 0 HD12 LEU A 17 -10.163 2.250 5.670 1.00 51.13 H new ATOM 0 HD13 LEU A 17 -9.230 0.836 5.123 1.00 51.13 H new ATOM 0 HD21 LEU A 17 -8.334 2.164 2.549 1.00 13.23 H new ATOM 0 HD22 LEU A 17 -8.947 0.493 2.542 1.00 13.23 H new ATOM 0 HD23 LEU A 17 -9.676 1.713 1.471 1.00 13.23 H new ATOM 248 N ASP A 18 -12.568 -1.343 5.548 1.00 43.03 N ATOM 249 CA ASP A 18 -12.734 -1.994 6.848 1.00 41.32 C ATOM 250 C ASP A 18 -11.832 -3.228 6.918 1.00 25.45 C ATOM 251 O ASP A 18 -10.809 -3.221 7.596 1.00 12.04 O ATOM 252 CB ASP A 18 -14.212 -2.343 7.054 1.00 65.41 C ATOM 253 CG ASP A 18 -14.444 -3.074 8.373 1.00 30.42 C ATOM 254 OD1 ASP A 18 -14.694 -2.396 9.389 1.00 65.50 O ATOM 255 OD2 ASP A 18 -14.480 -4.326 8.369 1.00 25.55 O ATOM 0 H ASP A 18 -13.448 -1.220 5.047 1.00 43.03 H new ATOM 0 HA ASP A 18 -12.436 -1.323 7.654 1.00 41.32 H new ATOM 0 HB2 ASP A 18 -14.807 -1.430 7.035 1.00 65.41 H new ATOM 0 HB3 ASP A 18 -14.557 -2.965 6.228 1.00 65.41 H new ATOM 260 N LYS A 19 -12.135 -4.246 6.113 1.00 10.02 N ATOM 261 CA LYS A 19 -11.426 -5.515 5.998 1.00 74.23 C ATOM 262 C LYS A 19 -10.004 -5.361 5.470 1.00 21.13 C ATOM 263 O LYS A 19 -9.201 -6.280 5.552 1.00 43.41 O ATOM 264 CB LYS A 19 -12.190 -6.435 5.036 1.00 5.33 C ATOM 265 CG LYS A 19 -13.703 -6.533 5.280 1.00 50.00 C ATOM 266 CD LYS A 19 -14.495 -5.509 4.456 1.00 71.34 C ATOM 267 CE LYS A 19 -14.906 -6.084 3.109 1.00 10.32 C ATOM 268 NZ LYS A 19 -16.088 -6.953 3.200 1.00 72.40 N ATOM 0 H LYS A 19 -12.936 -4.200 5.483 1.00 10.02 H new ATOM 0 HA LYS A 19 -11.368 -5.933 7.003 1.00 74.23 H new ATOM 0 HB2 LYS A 19 -12.025 -6.084 4.017 1.00 5.33 H new ATOM 0 HB3 LYS A 19 -11.763 -7.436 5.101 1.00 5.33 H new ATOM 0 HG2 LYS A 19 -14.044 -7.538 5.031 1.00 50.00 H new ATOM 0 HG3 LYS A 19 -13.908 -6.380 6.339 1.00 50.00 H new ATOM 0 HD2 LYS A 19 -15.383 -5.202 5.009 1.00 71.34 H new ATOM 0 HD3 LYS A 19 -13.890 -4.615 4.303 1.00 71.34 H new ATOM 0 HE2 LYS A 19 -15.113 -5.267 2.418 1.00 10.32 H new ATOM 0 HE3 LYS A 19 -14.074 -6.651 2.692 1.00 10.32 H new ATOM 0 HZ1 LYS A 19 -16.324 -7.317 2.255 1.00 72.40 H new ATOM 0 HZ2 LYS A 19 -15.885 -7.749 3.837 1.00 72.40 H new ATOM 0 HZ3 LYS A 19 -16.892 -6.408 3.572 1.00 72.40 H new ATOM 282 N PHE A 20 -9.691 -4.244 4.835 1.00 1.34 N ATOM 283 CA PHE A 20 -8.334 -3.931 4.436 1.00 22.44 C ATOM 284 C PHE A 20 -7.503 -3.661 5.694 1.00 45.51 C ATOM 285 O PHE A 20 -6.514 -4.351 5.915 1.00 14.42 O ATOM 286 CB PHE A 20 -8.365 -2.770 3.444 1.00 3.45 C ATOM 287 CG PHE A 20 -7.010 -2.320 2.966 1.00 5.12 C ATOM 288 CD1 PHE A 20 -6.389 -2.939 1.865 1.00 2.42 C ATOM 289 CD2 PHE A 20 -6.368 -1.265 3.635 1.00 34.35 C ATOM 290 CE1 PHE A 20 -5.135 -2.478 1.428 1.00 53.30 C ATOM 291 CE2 PHE A 20 -5.122 -0.806 3.197 1.00 10.15 C ATOM 292 CZ PHE A 20 -4.513 -1.397 2.077 1.00 14.35 C ATOM 0 H PHE A 20 -10.373 -3.529 4.582 1.00 1.34 H new ATOM 0 HA PHE A 20 -7.855 -4.763 3.919 1.00 22.44 H new ATOM 0 HB2 PHE A 20 -8.962 -3.063 2.580 1.00 3.45 H new ATOM 0 HB3 PHE A 20 -8.871 -1.924 3.910 1.00 3.45 H new ATOM 0 HD1 PHE A 20 -6.872 -3.762 1.360 1.00 2.42 H new ATOM 0 HD2 PHE A 20 -6.839 -0.806 4.492 1.00 34.35 H new ATOM 0 HE1 PHE A 20 -4.648 -2.956 0.591 1.00 53.30 H new ATOM 0 HE2 PHE A 20 -4.629 0.001 3.718 1.00 10.15 H new ATOM 0 HZ PHE A 20 -3.568 -1.021 1.715 1.00 14.35 H new ATOM 302 N THR A 21 -7.917 -2.706 6.533 1.00 12.12 N ATOM 303 CA THR A 21 -7.216 -2.374 7.782 1.00 44.33 C ATOM 304 C THR A 21 -7.437 -3.442 8.874 1.00 52.22 C ATOM 305 O THR A 21 -6.642 -3.532 9.810 1.00 3.13 O ATOM 306 CB THR A 21 -7.669 -0.985 8.285 1.00 34.21 C ATOM 307 OG1 THR A 21 -9.074 -0.781 8.179 1.00 14.41 O ATOM 308 CG2 THR A 21 -7.010 0.168 7.529 1.00 45.31 C ATOM 0 H THR A 21 -8.749 -2.139 6.367 1.00 12.12 H new ATOM 0 HA THR A 21 -6.148 -2.352 7.567 1.00 44.33 H new ATOM 0 HB THR A 21 -7.362 -0.984 9.331 1.00 34.21 H new ATOM 0 HG1 THR A 21 -9.528 -1.648 8.134 1.00 14.41 H new ATOM 0 HG21 THR A 21 -7.368 1.117 7.928 1.00 45.31 H new ATOM 0 HG22 THR A 21 -5.928 0.110 7.648 1.00 45.31 H new ATOM 0 HG23 THR A 21 -7.263 0.101 6.471 1.00 45.31 H new ATOM 316 N SER A 22 -8.499 -4.250 8.781 1.00 50.23 N ATOM 317 CA SER A 22 -8.995 -5.111 9.852 1.00 73.24 C ATOM 318 C SER A 22 -9.379 -6.496 9.312 1.00 21.52 C ATOM 319 O SER A 22 -10.360 -7.100 9.745 1.00 3.25 O ATOM 320 CB SER A 22 -10.135 -4.357 10.569 1.00 10.21 C ATOM 321 OG SER A 22 -10.570 -4.961 11.773 1.00 2.15 O ATOM 0 H SER A 22 -9.053 -4.322 7.928 1.00 50.23 H new ATOM 0 HA SER A 22 -8.222 -5.320 10.591 1.00 73.24 H new ATOM 0 HB2 SER A 22 -9.803 -3.342 10.786 1.00 10.21 H new ATOM 0 HB3 SER A 22 -10.984 -4.276 9.890 1.00 10.21 H new ATOM 0 HG SER A 22 -10.676 -5.925 11.635 1.00 2.15 H new ATOM 327 N SER A 23 -8.639 -7.015 8.329 1.00 74.43 N ATOM 328 CA SER A 23 -8.603 -8.443 8.032 1.00 14.55 C ATOM 329 C SER A 23 -7.246 -8.788 7.397 1.00 51.53 C ATOM 330 O SER A 23 -7.093 -8.807 6.171 1.00 34.03 O ATOM 331 CB SER A 23 -9.790 -8.910 7.171 1.00 4.43 C ATOM 332 OG SER A 23 -11.056 -8.590 7.719 1.00 53.23 O ATOM 0 H SER A 23 -8.048 -6.453 7.717 1.00 74.43 H new ATOM 0 HA SER A 23 -8.708 -8.992 8.968 1.00 14.55 H new ATOM 0 HB2 SER A 23 -9.709 -8.459 6.182 1.00 4.43 H new ATOM 0 HB3 SER A 23 -9.726 -9.990 7.036 1.00 4.43 H new ATOM 0 HG SER A 23 -10.955 -8.369 8.668 1.00 53.23 H new ATOM 338 N ALA A 24 -6.244 -9.105 8.217 1.00 10.32 N ATOM 339 CA ALA A 24 -4.860 -9.422 7.844 1.00 63.24 C ATOM 340 C ALA A 24 -4.692 -10.756 7.085 1.00 1.34 C ATOM 341 O ALA A 24 -3.576 -11.263 6.929 1.00 32.32 O ATOM 342 CB ALA A 24 -4.004 -9.431 9.104 1.00 54.22 C ATOM 0 H ALA A 24 -6.384 -9.151 9.226 1.00 10.32 H new ATOM 0 HA ALA A 24 -4.538 -8.649 7.147 1.00 63.24 H new ATOM 0 HB1 ALA A 24 -2.972 -9.665 8.841 1.00 54.22 H new ATOM 0 HB2 ALA A 24 -4.044 -8.450 9.578 1.00 54.22 H new ATOM 0 HB3 ALA A 24 -4.382 -10.184 9.796 1.00 54.22 H new ATOM 348 N ALA A 25 -5.782 -11.358 6.614 1.00 1.32 N ATOM 349 CA ALA A 25 -5.786 -12.466 5.663 1.00 42.31 C ATOM 350 C ALA A 25 -6.560 -12.122 4.382 1.00 21.14 C ATOM 351 O ALA A 25 -6.711 -12.987 3.517 1.00 34.43 O ATOM 352 CB ALA A 25 -6.352 -13.713 6.337 1.00 72.02 C ATOM 0 H ALA A 25 -6.721 -11.077 6.895 1.00 1.32 H new ATOM 0 HA ALA A 25 -4.758 -12.661 5.358 1.00 42.31 H new ATOM 0 HB1 ALA A 25 -6.355 -14.540 5.627 1.00 72.02 H new ATOM 0 HB2 ALA A 25 -5.734 -13.974 7.196 1.00 72.02 H new ATOM 0 HB3 ALA A 25 -7.371 -13.516 6.669 1.00 72.02 H new ATOM 358 N PHE A 26 -7.051 -10.888 4.237 1.00 70.10 N ATOM 359 CA PHE A 26 -7.844 -10.439 3.104 1.00 41.30 C ATOM 360 C PHE A 26 -7.211 -9.257 2.369 1.00 43.24 C ATOM 361 O PHE A 26 -7.646 -8.955 1.260 1.00 51.32 O ATOM 362 CB PHE A 26 -9.261 -10.099 3.570 1.00 63.44 C ATOM 363 CG PHE A 26 -10.230 -11.262 3.540 1.00 31.34 C ATOM 364 CD1 PHE A 26 -10.273 -12.186 4.602 1.00 5.32 C ATOM 365 CD2 PHE A 26 -11.094 -11.422 2.440 1.00 51.14 C ATOM 366 CE1 PHE A 26 -11.162 -13.273 4.553 1.00 62.32 C ATOM 367 CE2 PHE A 26 -11.986 -12.507 2.393 1.00 11.44 C ATOM 368 CZ PHE A 26 -12.014 -13.437 3.446 1.00 70.22 C ATOM 0 H PHE A 26 -6.899 -10.156 4.930 1.00 70.10 H new ATOM 0 HA PHE A 26 -7.884 -11.257 2.385 1.00 41.30 H new ATOM 0 HB2 PHE A 26 -9.211 -9.710 4.587 1.00 63.44 H new ATOM 0 HB3 PHE A 26 -9.654 -9.299 2.942 1.00 63.44 H new ATOM 0 HD1 PHE A 26 -9.622 -12.059 5.455 1.00 5.32 H new ATOM 0 HD2 PHE A 26 -11.071 -10.709 1.630 1.00 51.14 H new ATOM 0 HE1 PHE A 26 -11.191 -13.983 5.366 1.00 62.32 H new ATOM 0 HE2 PHE A 26 -12.649 -12.626 1.549 1.00 11.44 H new ATOM 0 HZ PHE A 26 -12.690 -14.278 3.405 1.00 70.22 H new ATOM 378 N GLN A 27 -6.162 -8.608 2.890 1.00 11.53 N ATOM 379 CA GLN A 27 -5.325 -7.764 2.035 1.00 65.04 C ATOM 380 C GLN A 27 -4.817 -8.608 0.856 1.00 70.24 C ATOM 381 O GLN A 27 -5.093 -8.287 -0.298 1.00 61.41 O ATOM 382 CB GLN A 27 -4.168 -7.139 2.819 1.00 12.21 C ATOM 383 CG GLN A 27 -4.633 -6.118 3.870 1.00 71.42 C ATOM 384 CD GLN A 27 -3.462 -5.408 4.551 1.00 70.44 C ATOM 385 OE1 GLN A 27 -2.317 -5.493 4.120 1.00 12.23 O ATOM 386 NE2 GLN A 27 -3.728 -4.725 5.635 1.00 64.31 N ATOM 0 H GLN A 27 -5.880 -8.649 3.869 1.00 11.53 H new ATOM 0 HA GLN A 27 -5.920 -6.934 1.655 1.00 65.04 H new ATOM 0 HB2 GLN A 27 -3.604 -7.929 3.314 1.00 12.21 H new ATOM 0 HB3 GLN A 27 -3.487 -6.650 2.122 1.00 12.21 H new ATOM 0 HG2 GLN A 27 -5.276 -5.378 3.394 1.00 71.42 H new ATOM 0 HG3 GLN A 27 -5.235 -6.625 4.624 1.00 71.42 H new ATOM 0 HE21 GLN A 27 -4.687 -4.666 5.978 1.00 64.31 H new ATOM 0 HE22 GLN A 27 -2.977 -4.252 6.137 1.00 64.31 H new ATOM 395 N TYR A 28 -4.206 -9.763 1.152 1.00 32.33 N ATOM 396 CA TYR A 28 -3.693 -10.736 0.187 1.00 53.54 C ATOM 397 C TYR A 28 -4.664 -11.065 -0.955 1.00 3.52 C ATOM 398 O TYR A 28 -4.214 -11.308 -2.078 1.00 52.50 O ATOM 399 CB TYR A 28 -3.327 -12.036 0.919 1.00 61.31 C ATOM 400 CG TYR A 28 -2.094 -11.937 1.793 1.00 52.51 C ATOM 401 CD1 TYR A 28 -0.826 -11.887 1.183 1.00 32.14 C ATOM 402 CD2 TYR A 28 -2.201 -11.909 3.198 1.00 13.25 C ATOM 403 CE1 TYR A 28 0.331 -11.800 1.973 1.00 2.14 C ATOM 404 CE2 TYR A 28 -1.041 -11.812 3.991 1.00 33.22 C ATOM 405 CZ TYR A 28 0.231 -11.742 3.380 1.00 24.31 C ATOM 406 OH TYR A 28 1.363 -11.632 4.122 1.00 73.23 O ATOM 0 H TYR A 28 -4.050 -10.055 2.117 1.00 32.33 H new ATOM 0 HA TYR A 28 -2.820 -10.272 -0.272 1.00 53.54 H new ATOM 0 HB2 TYR A 28 -4.172 -12.341 1.537 1.00 61.31 H new ATOM 0 HB3 TYR A 28 -3.172 -12.823 0.181 1.00 61.31 H new ATOM 0 HD1 TYR A 28 -0.744 -11.916 0.107 1.00 32.14 H new ATOM 0 HD2 TYR A 28 -3.173 -11.962 3.667 1.00 13.25 H new ATOM 0 HE1 TYR A 28 1.303 -11.777 1.502 1.00 2.14 H new ATOM 0 HE2 TYR A 28 -1.124 -11.791 5.068 1.00 33.22 H new ATOM 0 HH TYR A 28 1.129 -11.603 5.073 1.00 73.23 H new ATOM 416 N THR A 29 -5.976 -11.078 -0.713 1.00 73.23 N ATOM 417 CA THR A 29 -6.967 -11.576 -1.663 1.00 3.24 C ATOM 418 C THR A 29 -7.551 -10.461 -2.549 1.00 61.30 C ATOM 419 O THR A 29 -8.553 -10.698 -3.224 1.00 13.24 O ATOM 420 CB THR A 29 -8.048 -12.367 -0.896 1.00 61.03 C ATOM 421 OG1 THR A 29 -8.717 -11.571 0.060 1.00 53.43 O ATOM 422 CG2 THR A 29 -7.459 -13.547 -0.111 1.00 54.44 C ATOM 0 H THR A 29 -6.383 -10.739 0.159 1.00 73.23 H new ATOM 0 HA THR A 29 -6.476 -12.253 -2.363 1.00 3.24 H new ATOM 0 HB THR A 29 -8.732 -12.711 -1.671 1.00 61.03 H new ATOM 0 HG1 THR A 29 -9.374 -12.118 0.539 1.00 53.43 H new ATOM 0 HG21 THR A 29 -8.259 -14.072 0.411 1.00 54.44 H new ATOM 0 HG22 THR A 29 -6.965 -14.232 -0.800 1.00 54.44 H new ATOM 0 HG23 THR A 29 -6.734 -13.176 0.614 1.00 54.44 H new ATOM 430 N ARG A 30 -6.993 -9.241 -2.538 1.00 50.41 N ATOM 431 CA ARG A 30 -7.497 -8.112 -3.321 1.00 42.41 C ATOM 432 C ARG A 30 -6.315 -7.272 -3.806 1.00 61.31 C ATOM 433 O ARG A 30 -6.207 -6.101 -3.460 1.00 73.10 O ATOM 434 CB ARG A 30 -8.509 -7.275 -2.499 1.00 30.15 C ATOM 435 CG ARG A 30 -9.907 -7.905 -2.362 1.00 52.43 C ATOM 436 CD ARG A 30 -10.107 -8.722 -1.076 1.00 21.32 C ATOM 437 NE ARG A 30 -11.045 -8.048 -0.158 1.00 31.13 N ATOM 438 CZ ARG A 30 -10.781 -7.109 0.756 1.00 3.41 C ATOM 439 NH1 ARG A 30 -9.539 -6.909 1.186 1.00 25.34 N ATOM 440 NH2 ARG A 30 -11.770 -6.359 1.237 1.00 31.32 N ATOM 0 H ARG A 30 -6.171 -9.012 -1.979 1.00 50.41 H new ATOM 0 HA ARG A 30 -8.037 -8.482 -4.192 1.00 42.41 H new ATOM 0 HB2 ARG A 30 -8.100 -7.113 -1.502 1.00 30.15 H new ATOM 0 HB3 ARG A 30 -8.612 -6.295 -2.965 1.00 30.15 H new ATOM 0 HG2 ARG A 30 -10.655 -7.113 -2.396 1.00 52.43 H new ATOM 0 HG3 ARG A 30 -10.088 -8.551 -3.221 1.00 52.43 H new ATOM 0 HD2 ARG A 30 -10.487 -9.712 -1.326 1.00 21.32 H new ATOM 0 HD3 ARG A 30 -9.147 -8.865 -0.580 1.00 21.32 H new ATOM 0 HE ARG A 30 -12.021 -8.336 -0.230 1.00 31.13 H new ATOM 0 HH11 ARG A 30 -8.775 -7.475 0.818 1.00 25.34 H new ATOM 0 HH12 ARG A 30 -9.351 -6.189 1.884 1.00 25.34 H new ATOM 0 HH21 ARG A 30 -12.725 -6.502 0.908 1.00 31.32 H new ATOM 0 HH22 ARG A 30 -11.573 -5.641 1.935 1.00 31.32 H new ATOM 454 N VAL A 31 -5.415 -7.843 -4.605 1.00 1.35 N ATOM 455 CA VAL A 31 -4.262 -7.133 -5.168 1.00 65.22 C ATOM 456 C VAL A 31 -4.108 -7.567 -6.630 1.00 73.40 C ATOM 457 O VAL A 31 -4.251 -8.756 -6.935 1.00 10.51 O ATOM 458 CB VAL A 31 -2.996 -7.452 -4.342 1.00 54.34 C ATOM 459 CG1 VAL A 31 -1.789 -6.614 -4.785 1.00 61.34 C ATOM 460 CG2 VAL A 31 -3.179 -7.254 -2.829 1.00 34.12 C ATOM 0 H VAL A 31 -5.464 -8.823 -4.884 1.00 1.35 H new ATOM 0 HA VAL A 31 -4.410 -6.054 -5.129 1.00 65.22 H new ATOM 0 HB VAL A 31 -2.814 -8.509 -4.535 1.00 54.34 H new ATOM 0 HG11 VAL A 31 -0.923 -6.873 -4.176 1.00 61.34 H new ATOM 0 HG12 VAL A 31 -1.570 -6.818 -5.833 1.00 61.34 H new ATOM 0 HG13 VAL A 31 -2.016 -5.555 -4.661 1.00 61.34 H new ATOM 0 HG21 VAL A 31 -2.249 -7.497 -2.315 1.00 34.12 H new ATOM 0 HG22 VAL A 31 -3.445 -6.216 -2.627 1.00 34.12 H new ATOM 0 HG23 VAL A 31 -3.974 -7.908 -2.470 1.00 34.12 H new ATOM 470 N LYS A 32 -3.858 -6.621 -7.534 1.00 4.34 N ATOM 471 CA LYS A 32 -3.543 -6.878 -8.943 1.00 32.14 C ATOM 472 C LYS A 32 -2.041 -6.738 -9.150 1.00 10.25 C ATOM 473 O LYS A 32 -1.374 -6.126 -8.318 1.00 14.31 O ATOM 474 CB LYS A 32 -4.259 -5.839 -9.817 1.00 63.04 C ATOM 475 CG LYS A 32 -5.712 -6.204 -10.141 1.00 24.04 C ATOM 476 CD LYS A 32 -5.801 -7.306 -11.215 1.00 41.50 C ATOM 477 CE LYS A 32 -7.068 -7.186 -12.067 1.00 42.51 C ATOM 478 NZ LYS A 32 -6.962 -6.148 -13.120 1.00 72.31 N ATOM 0 H LYS A 32 -3.869 -5.628 -7.303 1.00 4.34 H new ATOM 0 HA LYS A 32 -3.868 -7.882 -9.215 1.00 32.14 H new ATOM 0 HB2 LYS A 32 -4.240 -4.875 -9.309 1.00 63.04 H new ATOM 0 HB3 LYS A 32 -3.707 -5.719 -10.749 1.00 63.04 H new ATOM 0 HG2 LYS A 32 -6.213 -6.540 -9.233 1.00 24.04 H new ATOM 0 HG3 LYS A 32 -6.241 -5.316 -10.487 1.00 24.04 H new ATOM 0 HD2 LYS A 32 -4.925 -7.252 -11.861 1.00 41.50 H new ATOM 0 HD3 LYS A 32 -5.782 -8.283 -10.732 1.00 41.50 H new ATOM 0 HE2 LYS A 32 -7.278 -8.149 -12.533 1.00 42.51 H new ATOM 0 HE3 LYS A 32 -7.914 -6.954 -11.420 1.00 42.51 H new ATOM 0 HZ1 LYS A 32 -7.858 -5.623 -13.182 1.00 72.31 H new ATOM 0 HZ2 LYS A 32 -6.192 -5.491 -12.883 1.00 72.31 H new ATOM 0 HZ3 LYS A 32 -6.762 -6.601 -14.035 1.00 72.31 H new ATOM 492 N PHE A 33 -1.523 -7.239 -10.272 1.00 44.33 N ATOM 493 CA PHE A 33 -0.143 -7.003 -10.676 1.00 61.31 C ATOM 494 C PHE A 33 -0.059 -6.766 -12.194 1.00 61.23 C ATOM 495 O PHE A 33 -0.875 -7.332 -12.934 1.00 34.41 O ATOM 496 CB PHE A 33 0.723 -8.188 -10.236 1.00 32.32 C ATOM 497 CG PHE A 33 0.880 -8.288 -8.730 1.00 72.30 C ATOM 498 CD1 PHE A 33 1.704 -7.368 -8.058 1.00 23.43 C ATOM 499 CD2 PHE A 33 0.154 -9.242 -7.991 1.00 25.12 C ATOM 500 CE1 PHE A 33 1.796 -7.393 -6.657 1.00 72.21 C ATOM 501 CE2 PHE A 33 0.261 -9.279 -6.588 1.00 71.14 C ATOM 502 CZ PHE A 33 1.080 -8.352 -5.922 1.00 3.24 C ATOM 0 H PHE A 33 -2.051 -7.819 -10.924 1.00 44.33 H new ATOM 0 HA PHE A 33 0.234 -6.103 -10.190 1.00 61.31 H new ATOM 0 HB2 PHE A 33 0.281 -9.111 -10.611 1.00 32.32 H new ATOM 0 HB3 PHE A 33 1.709 -8.098 -10.692 1.00 32.32 H new ATOM 0 HD1 PHE A 33 2.268 -6.639 -8.621 1.00 23.43 H new ATOM 0 HD2 PHE A 33 -0.486 -9.946 -8.502 1.00 25.12 H new ATOM 0 HE1 PHE A 33 2.418 -6.674 -6.144 1.00 72.21 H new ATOM 0 HE2 PHE A 33 -0.286 -10.020 -6.024 1.00 71.14 H new ATOM 0 HZ PHE A 33 1.159 -8.377 -4.845 1.00 3.24 H new ATOM 512 N PRO A 34 0.944 -6.019 -12.701 1.00 22.11 N ATOM 513 CA PRO A 34 1.939 -5.275 -11.935 1.00 65.33 C ATOM 514 C PRO A 34 1.295 -4.086 -11.211 1.00 13.43 C ATOM 515 O PRO A 34 0.076 -3.899 -11.243 1.00 44.12 O ATOM 516 CB PRO A 34 2.999 -4.845 -12.958 1.00 12.11 C ATOM 517 CG PRO A 34 2.184 -4.654 -14.228 1.00 5.53 C ATOM 518 CD PRO A 34 1.119 -5.743 -14.121 1.00 34.23 C ATOM 0 HA PRO A 34 2.390 -5.875 -11.145 1.00 65.33 H new ATOM 0 HB2 PRO A 34 3.501 -3.925 -12.658 1.00 12.11 H new ATOM 0 HB3 PRO A 34 3.771 -5.604 -13.083 1.00 12.11 H new ATOM 0 HG2 PRO A 34 1.741 -3.659 -14.277 1.00 5.53 H new ATOM 0 HG3 PRO A 34 2.796 -4.775 -15.122 1.00 5.53 H new ATOM 0 HD2 PRO A 34 0.182 -5.413 -14.570 1.00 34.23 H new ATOM 0 HD3 PRO A 34 1.429 -6.641 -14.655 1.00 34.23 H new ATOM 526 N LEU A 35 2.118 -3.319 -10.504 1.00 22.02 N ATOM 527 CA LEU A 35 1.706 -2.151 -9.739 1.00 53.13 C ATOM 528 C LEU A 35 2.310 -0.908 -10.383 1.00 2.23 C ATOM 529 O LEU A 35 3.072 -1.018 -11.349 1.00 11.13 O ATOM 530 CB LEU A 35 2.176 -2.296 -8.293 1.00 41.11 C ATOM 531 CG LEU A 35 1.596 -3.479 -7.502 1.00 32.23 C ATOM 532 CD1 LEU A 35 2.302 -3.490 -6.151 1.00 34.11 C ATOM 533 CD2 LEU A 35 0.089 -3.409 -7.270 1.00 71.22 C ATOM 0 H LEU A 35 3.120 -3.500 -10.447 1.00 22.02 H new ATOM 0 HA LEU A 35 0.620 -2.061 -9.738 1.00 53.13 H new ATOM 0 HB2 LEU A 35 3.262 -2.385 -8.294 1.00 41.11 H new ATOM 0 HB3 LEU A 35 1.932 -1.377 -7.761 1.00 41.11 H new ATOM 0 HG LEU A 35 1.760 -4.383 -8.088 1.00 32.23 H new ATOM 0 HD11 LEU A 35 1.923 -4.316 -5.549 1.00 34.11 H new ATOM 0 HD12 LEU A 35 3.374 -3.613 -6.302 1.00 34.11 H new ATOM 0 HD13 LEU A 35 2.114 -2.549 -5.634 1.00 34.11 H new ATOM 0 HD21 LEU A 35 -0.233 -4.283 -6.705 1.00 71.22 H new ATOM 0 HD22 LEU A 35 -0.151 -2.506 -6.709 1.00 71.22 H new ATOM 0 HD23 LEU A 35 -0.426 -3.388 -8.230 1.00 71.22 H new ATOM 545 N LYS A 36 1.975 0.276 -9.874 1.00 24.14 N ATOM 546 CA LYS A 36 2.380 1.524 -10.537 1.00 43.14 C ATOM 547 C LYS A 36 3.843 1.804 -10.275 1.00 52.40 C ATOM 548 O LYS A 36 4.605 2.011 -11.223 1.00 5.34 O ATOM 549 CB LYS A 36 1.550 2.743 -10.101 1.00 14.12 C ATOM 550 CG LYS A 36 0.053 2.479 -9.977 1.00 10.44 C ATOM 551 CD LYS A 36 -0.526 1.826 -11.242 1.00 72.04 C ATOM 552 CE LYS A 36 -2.044 1.928 -11.358 1.00 62.13 C ATOM 553 NZ LYS A 36 -2.498 3.327 -11.414 1.00 61.10 N ATOM 0 H LYS A 36 1.433 0.402 -9.019 1.00 24.14 H new ATOM 0 HA LYS A 36 2.202 1.373 -11.602 1.00 43.14 H new ATOM 0 HB2 LYS A 36 1.924 3.096 -9.140 1.00 14.12 H new ATOM 0 HB3 LYS A 36 1.706 3.548 -10.819 1.00 14.12 H new ATOM 0 HG2 LYS A 36 -0.131 1.832 -9.119 1.00 10.44 H new ATOM 0 HG3 LYS A 36 -0.466 3.418 -9.785 1.00 10.44 H new ATOM 0 HD2 LYS A 36 -0.074 2.292 -12.118 1.00 72.04 H new ATOM 0 HD3 LYS A 36 -0.241 0.774 -11.257 1.00 72.04 H new ATOM 0 HE2 LYS A 36 -2.376 1.403 -12.254 1.00 62.13 H new ATOM 0 HE3 LYS A 36 -2.507 1.430 -10.506 1.00 62.13 H new ATOM 0 HZ1 LYS A 36 -3.303 3.405 -12.068 1.00 61.10 H new ATOM 0 HZ2 LYS A 36 -2.791 3.635 -10.465 1.00 61.10 H new ATOM 0 HZ3 LYS A 36 -1.721 3.931 -11.749 1.00 61.10 H new ATOM 567 N THR A 37 4.219 1.822 -9.002 1.00 13.54 N ATOM 568 CA THR A 37 5.556 2.196 -8.544 1.00 70.32 C ATOM 569 C THR A 37 6.260 0.944 -7.973 1.00 12.15 C ATOM 570 O THR A 37 6.128 0.663 -6.780 1.00 64.33 O ATOM 571 CB THR A 37 5.470 3.412 -7.596 1.00 72.41 C ATOM 572 OG1 THR A 37 4.281 3.451 -6.824 1.00 72.34 O ATOM 573 CG2 THR A 37 5.520 4.732 -8.362 1.00 13.33 C ATOM 0 H THR A 37 3.589 1.571 -8.240 1.00 13.54 H new ATOM 0 HA THR A 37 6.187 2.537 -9.365 1.00 70.32 H new ATOM 0 HB THR A 37 6.332 3.292 -6.940 1.00 72.41 H new ATOM 0 HG1 THR A 37 4.292 4.243 -6.247 1.00 72.34 H new ATOM 0 HG21 THR A 37 5.457 5.563 -7.659 1.00 13.33 H new ATOM 0 HG22 THR A 37 6.456 4.796 -8.916 1.00 13.33 H new ATOM 0 HG23 THR A 37 4.682 4.781 -9.058 1.00 13.33 H new ATOM 581 N PRO A 38 6.912 0.113 -8.815 1.00 63.31 N ATOM 582 CA PRO A 38 7.572 -1.139 -8.414 1.00 3.25 C ATOM 583 C PRO A 38 8.706 -0.901 -7.396 1.00 50.24 C ATOM 584 O PRO A 38 9.126 0.232 -7.148 1.00 53.33 O ATOM 585 CB PRO A 38 8.135 -1.722 -9.725 1.00 2.53 C ATOM 586 CG PRO A 38 8.289 -0.525 -10.648 1.00 44.20 C ATOM 587 CD PRO A 38 7.093 0.319 -10.246 1.00 73.41 C ATOM 0 HA PRO A 38 6.873 -1.812 -7.917 1.00 3.25 H new ATOM 0 HB2 PRO A 38 9.091 -2.219 -9.559 1.00 2.53 H new ATOM 0 HB3 PRO A 38 7.460 -2.465 -10.150 1.00 2.53 H new ATOM 0 HG2 PRO A 38 9.232 -0.003 -10.489 1.00 44.20 H new ATOM 0 HG3 PRO A 38 8.256 -0.810 -11.700 1.00 44.20 H new ATOM 0 HD2 PRO A 38 7.267 1.372 -10.469 1.00 73.41 H new ATOM 0 HD3 PRO A 38 6.202 0.020 -10.798 1.00 73.41 H new ATOM 595 N ILE A 39 9.255 -2.002 -6.867 1.00 73.03 N ATOM 596 CA ILE A 39 10.498 -2.021 -6.100 1.00 71.20 C ATOM 597 C ILE A 39 11.554 -1.324 -6.953 1.00 33.21 C ATOM 598 O ILE A 39 11.787 -1.771 -8.081 1.00 71.04 O ATOM 599 CB ILE A 39 10.926 -3.484 -5.833 1.00 72.04 C ATOM 600 CG1 ILE A 39 9.885 -4.278 -5.013 1.00 71.43 C ATOM 601 CG2 ILE A 39 12.311 -3.588 -5.167 1.00 64.04 C ATOM 602 CD1 ILE A 39 9.723 -5.708 -5.508 1.00 25.02 C ATOM 0 H ILE A 39 8.833 -2.925 -6.966 1.00 73.03 H new ATOM 0 HA ILE A 39 10.374 -1.520 -5.140 1.00 71.20 H new ATOM 0 HB ILE A 39 10.990 -3.939 -6.821 1.00 72.04 H new ATOM 0 HG12 ILE A 39 10.186 -4.291 -3.965 1.00 71.43 H new ATOM 0 HG13 ILE A 39 8.923 -3.768 -5.062 1.00 71.43 H new ATOM 0 HG21 ILE A 39 12.558 -4.637 -5.004 1.00 64.04 H new ATOM 0 HG22 ILE A 39 13.061 -3.135 -5.815 1.00 64.04 H new ATOM 0 HG23 ILE A 39 12.295 -3.066 -4.210 1.00 64.04 H new ATOM 0 HD11 ILE A 39 8.980 -6.222 -4.898 1.00 25.02 H new ATOM 0 HD12 ILE A 39 9.395 -5.698 -6.547 1.00 25.02 H new ATOM 0 HD13 ILE A 39 10.677 -6.229 -5.434 1.00 25.02 H new ATOM 614 N THR A 40 12.222 -0.311 -6.406 1.00 50.12 N ATOM 615 CA THR A 40 13.384 0.308 -7.022 1.00 45.33 C ATOM 616 C THR A 40 14.454 0.374 -5.936 1.00 52.24 C ATOM 617 O THR A 40 14.249 0.996 -4.896 1.00 2.33 O ATOM 618 CB THR A 40 13.044 1.684 -7.628 1.00 53.41 C ATOM 619 OG1 THR A 40 11.807 1.633 -8.326 1.00 70.20 O ATOM 620 CG2 THR A 40 14.121 2.080 -8.645 1.00 74.43 C ATOM 0 H THR A 40 11.965 0.105 -5.511 1.00 50.12 H new ATOM 0 HA THR A 40 13.748 -0.274 -7.869 1.00 45.33 H new ATOM 0 HB THR A 40 12.988 2.403 -6.811 1.00 53.41 H new ATOM 0 HG1 THR A 40 11.607 2.516 -8.702 1.00 70.20 H new ATOM 0 HG21 THR A 40 13.878 3.053 -9.072 1.00 74.43 H new ATOM 0 HG22 THR A 40 15.089 2.133 -8.147 1.00 74.43 H new ATOM 0 HG23 THR A 40 14.162 1.335 -9.440 1.00 74.43 H new ATOM 628 N LEU A 41 15.554 -0.350 -6.141 1.00 54.42 N ATOM 629 CA LEU A 41 16.733 -0.318 -5.283 1.00 63.34 C ATOM 630 C LEU A 41 17.819 0.409 -6.062 1.00 2.43 C ATOM 631 O LEU A 41 17.777 0.444 -7.297 1.00 21.22 O ATOM 632 CB LEU A 41 17.230 -1.736 -4.963 1.00 30.45 C ATOM 633 CG LEU A 41 16.152 -2.708 -4.465 1.00 21.45 C ATOM 634 CD1 LEU A 41 16.790 -4.067 -4.213 1.00 74.21 C ATOM 635 CD2 LEU A 41 15.442 -2.272 -3.182 1.00 32.22 C ATOM 0 H LEU A 41 15.650 -0.991 -6.929 1.00 54.42 H new ATOM 0 HA LEU A 41 16.491 0.175 -4.341 1.00 63.34 H new ATOM 0 HB2 LEU A 41 17.688 -2.154 -5.859 1.00 30.45 H new ATOM 0 HB3 LEU A 41 18.013 -1.668 -4.207 1.00 30.45 H new ATOM 0 HG LEU A 41 15.394 -2.738 -5.248 1.00 21.45 H new ATOM 0 HD11 LEU A 41 16.031 -4.765 -3.859 1.00 74.21 H new ATOM 0 HD12 LEU A 41 17.224 -4.443 -5.140 1.00 74.21 H new ATOM 0 HD13 LEU A 41 17.572 -3.968 -3.460 1.00 74.21 H new ATOM 0 HD21 LEU A 41 14.698 -3.019 -2.906 1.00 32.22 H new ATOM 0 HD22 LEU A 41 16.172 -2.172 -2.378 1.00 32.22 H new ATOM 0 HD23 LEU A 41 14.950 -1.313 -3.346 1.00 32.22 H new ATOM 647 N LEU A 42 18.829 0.902 -5.356 1.00 1.44 N ATOM 648 CA LEU A 42 20.100 1.211 -5.986 1.00 30.25 C ATOM 649 C LEU A 42 20.823 -0.107 -6.223 1.00 41.54 C ATOM 650 O LEU A 42 20.835 -0.991 -5.361 1.00 62.14 O ATOM 651 CB LEU A 42 20.963 2.096 -5.081 1.00 33.13 C ATOM 652 CG LEU A 42 20.689 3.608 -5.178 1.00 21.13 C ATOM 653 CD1 LEU A 42 21.120 4.134 -6.550 1.00 63.03 C ATOM 654 CD2 LEU A 42 19.231 4.002 -4.907 1.00 1.51 C ATOM 0 H LEU A 42 18.791 1.094 -4.355 1.00 1.44 H new ATOM 0 HA LEU A 42 19.925 1.749 -6.918 1.00 30.25 H new ATOM 0 HB2 LEU A 42 20.815 1.783 -4.048 1.00 33.13 H new ATOM 0 HB3 LEU A 42 22.011 1.918 -5.321 1.00 33.13 H new ATOM 0 HG LEU A 42 21.281 4.068 -4.387 1.00 21.13 H new ATOM 0 HD11 LEU A 42 20.922 5.204 -6.608 1.00 63.03 H new ATOM 0 HD12 LEU A 42 22.186 3.954 -6.690 1.00 63.03 H new ATOM 0 HD13 LEU A 42 20.559 3.618 -7.330 1.00 63.03 H new ATOM 0 HD21 LEU A 42 19.124 5.083 -4.995 1.00 1.51 H new ATOM 0 HD22 LEU A 42 18.581 3.512 -5.632 1.00 1.51 H new ATOM 0 HD23 LEU A 42 18.951 3.691 -3.901 1.00 1.51 H new ATOM 666 N ALA A 43 21.452 -0.207 -7.389 1.00 70.34 N ATOM 667 CA ALA A 43 22.421 -1.232 -7.711 1.00 73.33 C ATOM 668 C ALA A 43 23.661 -1.113 -6.820 1.00 3.25 C ATOM 669 O ALA A 43 23.839 -0.146 -6.073 1.00 71.24 O ATOM 670 CB ALA A 43 22.814 -1.079 -9.186 1.00 51.42 C ATOM 0 H ALA A 43 21.292 0.447 -8.156 1.00 70.34 H new ATOM 0 HA ALA A 43 21.982 -2.214 -7.537 1.00 73.33 H new ATOM 0 HB1 ALA A 43 23.545 -1.844 -9.449 1.00 51.42 H new ATOM 0 HB2 ALA A 43 21.929 -1.192 -9.812 1.00 51.42 H new ATOM 0 HB3 ALA A 43 23.248 -0.092 -9.346 1.00 51.42 H new ATOM 676 N ASP A 44 24.564 -2.075 -7.008 1.00 42.42 N ATOM 677 CA ASP A 44 25.866 -2.178 -6.350 1.00 41.51 C ATOM 678 C ASP A 44 26.649 -0.868 -6.452 1.00 12.12 C ATOM 679 O ASP A 44 27.250 -0.430 -5.479 1.00 3.42 O ATOM 680 CB ASP A 44 26.673 -3.318 -6.993 1.00 12.43 C ATOM 681 CG ASP A 44 26.901 -4.514 -6.075 1.00 50.40 C ATOM 682 OD1 ASP A 44 25.935 -5.276 -5.864 1.00 50.31 O ATOM 683 OD2 ASP A 44 28.055 -4.758 -5.645 1.00 21.25 O ATOM 0 H ASP A 44 24.398 -2.844 -7.658 1.00 42.42 H new ATOM 0 HA ASP A 44 25.700 -2.388 -5.293 1.00 41.51 H new ATOM 0 HB2 ASP A 44 26.153 -3.656 -7.890 1.00 12.43 H new ATOM 0 HB3 ASP A 44 27.640 -2.929 -7.312 1.00 12.43 H new ATOM 688 N ASP A 45 26.606 -0.213 -7.615 1.00 43.22 N ATOM 689 CA ASP A 45 27.374 1.007 -7.875 1.00 30.13 C ATOM 690 C ASP A 45 26.790 2.236 -7.181 1.00 42.51 C ATOM 691 O ASP A 45 27.446 3.272 -7.128 1.00 43.21 O ATOM 692 CB ASP A 45 27.515 1.271 -9.370 1.00 10.13 C ATOM 693 CG ASP A 45 28.469 0.323 -10.075 1.00 22.41 C ATOM 694 OD1 ASP A 45 29.658 0.240 -9.688 1.00 72.33 O ATOM 695 OD2 ASP A 45 28.007 -0.376 -11.017 1.00 63.43 O ATOM 0 H ASP A 45 26.036 -0.515 -8.405 1.00 43.22 H new ATOM 0 HA ASP A 45 28.363 0.831 -7.451 1.00 30.13 H new ATOM 0 HB2 ASP A 45 26.533 1.196 -9.836 1.00 10.13 H new ATOM 0 HB3 ASP A 45 27.860 2.294 -9.517 1.00 10.13 H new ATOM 700 N GLY A 46 25.560 2.152 -6.667 1.00 34.22 N ATOM 701 CA GLY A 46 24.919 3.249 -5.956 1.00 14.53 C ATOM 702 C GLY A 46 24.491 4.396 -6.866 1.00 65.24 C ATOM 703 O GLY A 46 24.248 5.498 -6.376 1.00 3.51 O ATOM 0 H GLY A 46 24.982 1.314 -6.736 1.00 34.22 H new ATOM 0 HA2 GLY A 46 24.044 2.868 -5.429 1.00 14.53 H new ATOM 0 HA3 GLY A 46 25.605 3.632 -5.200 1.00 14.53 H new ATOM 707 N GLU A 47 24.344 4.128 -8.163 1.00 52.44 N ATOM 708 CA GLU A 47 23.851 5.056 -9.173 1.00 70.31 C ATOM 709 C GLU A 47 22.656 4.439 -9.901 1.00 24.33 C ATOM 710 O GLU A 47 21.574 5.020 -9.888 1.00 74.34 O ATOM 711 CB GLU A 47 24.973 5.478 -10.140 1.00 24.11 C ATOM 712 CG GLU A 47 25.976 4.361 -10.468 1.00 5.44 C ATOM 713 CD GLU A 47 26.614 4.498 -11.846 1.00 12.24 C ATOM 714 OE1 GLU A 47 27.315 5.498 -12.113 1.00 2.34 O ATOM 715 OE2 GLU A 47 26.395 3.585 -12.670 1.00 65.21 O ATOM 0 H GLU A 47 24.577 3.215 -8.553 1.00 52.44 H new ATOM 0 HA GLU A 47 23.511 5.969 -8.683 1.00 70.31 H new ATOM 0 HB2 GLU A 47 24.524 5.831 -11.068 1.00 24.11 H new ATOM 0 HB3 GLU A 47 25.513 6.320 -9.707 1.00 24.11 H new ATOM 0 HG2 GLU A 47 26.761 4.356 -9.712 1.00 5.44 H new ATOM 0 HG3 GLU A 47 25.468 3.399 -10.406 1.00 5.44 H new ATOM 722 N THR A 48 22.836 3.269 -10.514 1.00 61.04 N ATOM 723 CA THR A 48 21.836 2.624 -11.349 1.00 24.42 C ATOM 724 C THR A 48 20.634 2.168 -10.511 1.00 53.34 C ATOM 725 O THR A 48 20.750 1.279 -9.672 1.00 23.45 O ATOM 726 CB THR A 48 22.514 1.483 -12.128 1.00 30.43 C ATOM 727 OG1 THR A 48 23.551 2.024 -12.926 1.00 54.50 O ATOM 728 CG2 THR A 48 21.550 0.759 -13.067 1.00 30.43 C ATOM 0 H THR A 48 23.702 2.736 -10.439 1.00 61.04 H new ATOM 0 HA THR A 48 21.428 3.327 -12.075 1.00 24.42 H new ATOM 0 HB THR A 48 22.886 0.771 -11.391 1.00 30.43 H new ATOM 0 HG1 THR A 48 23.990 1.303 -13.425 1.00 54.50 H new ATOM 0 HG21 THR A 48 22.081 -0.036 -13.591 1.00 30.43 H new ATOM 0 HG22 THR A 48 20.732 0.329 -12.488 1.00 30.43 H new ATOM 0 HG23 THR A 48 21.148 1.467 -13.792 1.00 30.43 H new ATOM 736 N GLU A 49 19.471 2.767 -10.755 1.00 50.33 N ATOM 737 CA GLU A 49 18.172 2.363 -10.226 1.00 21.43 C ATOM 738 C GLU A 49 17.786 1.032 -10.886 1.00 4.54 C ATOM 739 O GLU A 49 17.586 1.005 -12.107 1.00 10.44 O ATOM 740 CB GLU A 49 17.124 3.433 -10.585 1.00 73.12 C ATOM 741 CG GLU A 49 17.372 4.819 -9.979 1.00 30.12 C ATOM 742 CD GLU A 49 16.686 5.904 -10.811 1.00 53.32 C ATOM 743 OE1 GLU A 49 15.459 6.097 -10.708 1.00 61.34 O ATOM 744 OE2 GLU A 49 17.399 6.560 -11.615 1.00 70.02 O ATOM 0 H GLU A 49 19.406 3.588 -11.357 1.00 50.33 H new ATOM 0 HA GLU A 49 18.216 2.253 -9.143 1.00 21.43 H new ATOM 0 HB2 GLU A 49 17.085 3.530 -11.670 1.00 73.12 H new ATOM 0 HB3 GLU A 49 16.144 3.082 -10.261 1.00 73.12 H new ATOM 0 HG2 GLU A 49 16.997 4.846 -8.956 1.00 30.12 H new ATOM 0 HG3 GLU A 49 18.443 5.014 -9.931 1.00 30.12 H new ATOM 751 N LYS A 50 17.674 -0.072 -10.138 1.00 23.03 N ATOM 752 CA LYS A 50 17.261 -1.371 -10.685 1.00 74.03 C ATOM 753 C LYS A 50 16.004 -1.864 -9.988 1.00 12.41 C ATOM 754 O LYS A 50 15.863 -1.738 -8.769 1.00 41.51 O ATOM 755 CB LYS A 50 18.394 -2.409 -10.599 1.00 41.32 C ATOM 756 CG LYS A 50 19.522 -2.095 -11.597 1.00 24.34 C ATOM 757 CD LYS A 50 20.273 -3.331 -12.111 1.00 23.11 C ATOM 758 CE LYS A 50 21.237 -3.947 -11.092 1.00 65.00 C ATOM 759 NZ LYS A 50 21.942 -5.127 -11.643 1.00 71.43 N ATOM 0 H LYS A 50 17.867 -0.091 -9.137 1.00 23.03 H new ATOM 0 HA LYS A 50 17.034 -1.235 -11.742 1.00 74.03 H new ATOM 0 HB2 LYS A 50 18.797 -2.427 -9.586 1.00 41.32 H new ATOM 0 HB3 LYS A 50 17.995 -3.403 -10.800 1.00 41.32 H new ATOM 0 HG2 LYS A 50 19.100 -1.561 -12.448 1.00 24.34 H new ATOM 0 HG3 LYS A 50 20.236 -1.423 -11.121 1.00 24.34 H new ATOM 0 HD2 LYS A 50 19.546 -4.086 -12.410 1.00 23.11 H new ATOM 0 HD3 LYS A 50 20.833 -3.057 -13.005 1.00 23.11 H new ATOM 0 HE2 LYS A 50 21.967 -3.199 -10.784 1.00 65.00 H new ATOM 0 HE3 LYS A 50 20.684 -4.239 -10.199 1.00 65.00 H new ATOM 0 HZ1 LYS A 50 22.585 -5.515 -10.923 1.00 71.43 H new ATOM 0 HZ2 LYS A 50 21.247 -5.852 -11.913 1.00 71.43 H new ATOM 0 HZ3 LYS A 50 22.490 -4.844 -12.480 1.00 71.43 H new ATOM 773 N THR A 51 15.100 -2.454 -10.767 1.00 33.25 N ATOM 774 CA THR A 51 13.805 -2.903 -10.286 1.00 43.52 C ATOM 775 C THR A 51 13.751 -4.428 -10.175 1.00 30.35 C ATOM 776 O THR A 51 14.689 -5.143 -10.554 1.00 72.10 O ATOM 777 CB THR A 51 12.692 -2.327 -11.177 1.00 5.43 C ATOM 778 OG1 THR A 51 12.823 -2.806 -12.505 1.00 43.53 O ATOM 779 CG2 THR A 51 12.676 -0.800 -11.189 1.00 70.30 C ATOM 0 H THR A 51 15.252 -2.633 -11.759 1.00 33.25 H new ATOM 0 HA THR A 51 13.645 -2.526 -9.276 1.00 43.52 H new ATOM 0 HB THR A 51 11.748 -2.664 -10.749 1.00 5.43 H new ATOM 0 HG1 THR A 51 12.107 -2.432 -13.060 1.00 43.53 H new ATOM 0 HG21 THR A 51 11.870 -0.450 -11.834 1.00 70.30 H new ATOM 0 HG22 THR A 51 12.517 -0.430 -10.176 1.00 70.30 H new ATOM 0 HG23 THR A 51 13.629 -0.429 -11.565 1.00 70.30 H new ATOM 787 N PHE A 52 12.644 -4.921 -9.618 1.00 31.24 N ATOM 788 CA PHE A 52 12.377 -6.312 -9.262 1.00 61.02 C ATOM 789 C PHE A 52 10.880 -6.609 -9.444 1.00 22.41 C ATOM 790 O PHE A 52 10.103 -5.658 -9.585 1.00 34.33 O ATOM 791 CB PHE A 52 12.790 -6.511 -7.800 1.00 25.41 C ATOM 792 CG PHE A 52 14.278 -6.718 -7.606 1.00 25.14 C ATOM 793 CD1 PHE A 52 15.127 -5.609 -7.430 1.00 33.03 C ATOM 794 CD2 PHE A 52 14.820 -8.018 -7.618 1.00 23.05 C ATOM 795 CE1 PHE A 52 16.511 -5.799 -7.305 1.00 53.50 C ATOM 796 CE2 PHE A 52 16.204 -8.206 -7.456 1.00 11.44 C ATOM 797 CZ PHE A 52 17.051 -7.096 -7.306 1.00 32.11 C ATOM 0 H PHE A 52 11.856 -4.315 -9.388 1.00 31.24 H new ATOM 0 HA PHE A 52 12.940 -6.992 -9.901 1.00 61.02 H new ATOM 0 HB2 PHE A 52 12.476 -5.642 -7.222 1.00 25.41 H new ATOM 0 HB3 PHE A 52 12.257 -7.372 -7.396 1.00 25.41 H new ATOM 0 HD1 PHE A 52 14.713 -4.612 -7.391 1.00 33.03 H new ATOM 0 HD2 PHE A 52 14.172 -8.871 -7.752 1.00 23.05 H new ATOM 0 HE1 PHE A 52 17.164 -4.945 -7.208 1.00 53.50 H new ATOM 0 HE2 PHE A 52 16.616 -9.204 -7.447 1.00 11.44 H new ATOM 0 HZ PHE A 52 18.115 -7.239 -7.192 1.00 32.11 H new ATOM 807 N PRO A 53 10.439 -7.883 -9.453 1.00 14.55 N ATOM 808 CA PRO A 53 9.017 -8.211 -9.446 1.00 43.53 C ATOM 809 C PRO A 53 8.402 -7.982 -8.061 1.00 70.13 C ATOM 810 O PRO A 53 9.023 -8.289 -7.035 1.00 4.51 O ATOM 811 CB PRO A 53 8.928 -9.691 -9.816 1.00 62.12 C ATOM 812 CG PRO A 53 10.254 -10.264 -9.329 1.00 22.33 C ATOM 813 CD PRO A 53 11.242 -9.099 -9.450 1.00 54.11 C ATOM 0 HA PRO A 53 8.469 -7.579 -10.145 1.00 43.53 H new ATOM 0 HB2 PRO A 53 8.080 -10.175 -9.331 1.00 62.12 H new ATOM 0 HB3 PRO A 53 8.802 -9.829 -10.890 1.00 62.12 H new ATOM 0 HG2 PRO A 53 10.180 -10.617 -8.300 1.00 22.33 H new ATOM 0 HG3 PRO A 53 10.566 -11.114 -9.936 1.00 22.33 H new ATOM 0 HD2 PRO A 53 11.946 -9.098 -8.618 1.00 54.11 H new ATOM 0 HD3 PRO A 53 11.829 -9.180 -10.365 1.00 54.11 H new ATOM 821 N PHE A 54 7.154 -7.513 -8.046 1.00 54.40 N ATOM 822 CA PHE A 54 6.322 -7.358 -6.859 1.00 31.31 C ATOM 823 C PHE A 54 5.286 -8.488 -6.889 1.00 73.22 C ATOM 824 O PHE A 54 4.527 -8.581 -7.857 1.00 65.42 O ATOM 825 CB PHE A 54 5.706 -5.939 -6.861 1.00 72.20 C ATOM 826 CG PHE A 54 5.525 -5.286 -5.508 1.00 3.35 C ATOM 827 CD1 PHE A 54 4.659 -5.822 -4.535 1.00 51.34 C ATOM 828 CD2 PHE A 54 6.204 -4.081 -5.244 1.00 71.23 C ATOM 829 CE1 PHE A 54 4.470 -5.142 -3.318 1.00 42.42 C ATOM 830 CE2 PHE A 54 6.049 -3.432 -4.012 1.00 72.41 C ATOM 831 CZ PHE A 54 5.178 -3.960 -3.047 1.00 10.22 C ATOM 0 H PHE A 54 6.678 -7.219 -8.899 1.00 54.40 H new ATOM 0 HA PHE A 54 6.883 -7.441 -5.928 1.00 31.31 H new ATOM 0 HB2 PHE A 54 6.337 -5.293 -7.471 1.00 72.20 H new ATOM 0 HB3 PHE A 54 4.733 -5.989 -7.350 1.00 72.20 H new ATOM 0 HD1 PHE A 54 4.142 -6.752 -4.723 1.00 51.34 H new ATOM 0 HD2 PHE A 54 6.849 -3.654 -5.997 1.00 71.23 H new ATOM 0 HE1 PHE A 54 3.776 -5.531 -2.588 1.00 42.42 H new ATOM 0 HE2 PHE A 54 6.599 -2.526 -3.805 1.00 72.41 H new ATOM 0 HZ PHE A 54 5.052 -3.459 -2.099 1.00 10.22 H new ATOM 841 N THR A 55 5.292 -9.380 -5.894 1.00 11.32 N ATOM 842 CA THR A 55 4.301 -10.446 -5.688 1.00 30.43 C ATOM 843 C THR A 55 4.019 -10.612 -4.189 1.00 14.33 C ATOM 844 O THR A 55 4.656 -9.941 -3.371 1.00 71.01 O ATOM 845 CB THR A 55 4.793 -11.778 -6.279 1.00 2.15 C ATOM 846 OG1 THR A 55 6.085 -12.099 -5.809 1.00 22.32 O ATOM 847 CG2 THR A 55 4.810 -11.789 -7.802 1.00 71.34 C ATOM 0 H THR A 55 6.018 -9.381 -5.178 1.00 11.32 H new ATOM 0 HA THR A 55 3.382 -10.163 -6.201 1.00 30.43 H new ATOM 0 HB THR A 55 4.075 -12.526 -5.944 1.00 2.15 H new ATOM 0 HG1 THR A 55 6.373 -12.951 -6.199 1.00 22.32 H new ATOM 0 HG21 THR A 55 5.167 -12.757 -8.155 1.00 71.34 H new ATOM 0 HG22 THR A 55 3.802 -11.615 -8.178 1.00 71.34 H new ATOM 0 HG23 THR A 55 5.473 -11.004 -8.164 1.00 71.34 H new ATOM 855 N LYS A 56 3.081 -11.490 -3.801 1.00 53.40 N ATOM 856 CA LYS A 56 2.558 -11.640 -2.435 1.00 3.55 C ATOM 857 C LYS A 56 3.591 -11.912 -1.348 1.00 34.44 C ATOM 858 O LYS A 56 3.308 -11.677 -0.177 1.00 72.30 O ATOM 859 CB LYS A 56 1.490 -12.736 -2.409 1.00 64.13 C ATOM 860 CG LYS A 56 2.021 -14.168 -2.593 1.00 14.42 C ATOM 861 CD LYS A 56 0.952 -15.232 -2.325 1.00 12.35 C ATOM 862 CE LYS A 56 0.633 -15.354 -0.823 1.00 1.22 C ATOM 863 NZ LYS A 56 -0.056 -16.626 -0.511 1.00 41.42 N ATOM 0 H LYS A 56 2.649 -12.141 -4.457 1.00 53.40 H new ATOM 0 HA LYS A 56 2.144 -10.662 -2.190 1.00 3.55 H new ATOM 0 HB2 LYS A 56 0.958 -12.681 -1.459 1.00 64.13 H new ATOM 0 HB3 LYS A 56 0.762 -12.531 -3.194 1.00 64.13 H new ATOM 0 HG2 LYS A 56 2.397 -14.284 -3.609 1.00 14.42 H new ATOM 0 HG3 LYS A 56 2.864 -14.328 -1.921 1.00 14.42 H new ATOM 0 HD2 LYS A 56 0.043 -14.980 -2.871 1.00 12.35 H new ATOM 0 HD3 LYS A 56 1.294 -16.195 -2.704 1.00 12.35 H new ATOM 0 HE2 LYS A 56 1.557 -15.290 -0.248 1.00 1.22 H new ATOM 0 HE3 LYS A 56 0.008 -14.516 -0.515 1.00 1.22 H new ATOM 0 HZ1 LYS A 56 -0.254 -16.672 0.509 1.00 41.42 H new ATOM 0 HZ2 LYS A 56 -0.950 -16.675 -1.040 1.00 41.42 H new ATOM 0 HZ3 LYS A 56 0.551 -17.425 -0.782 1.00 41.42 H new ATOM 877 N GLU A 57 4.758 -12.423 -1.725 1.00 32.32 N ATOM 878 CA GLU A 57 5.899 -12.594 -0.835 1.00 12.55 C ATOM 879 C GLU A 57 6.175 -11.228 -0.193 1.00 54.20 C ATOM 880 O GLU A 57 6.147 -11.053 1.025 1.00 21.44 O ATOM 881 CB GLU A 57 7.092 -13.135 -1.659 1.00 21.01 C ATOM 882 CG GLU A 57 7.949 -14.203 -0.948 1.00 30.12 C ATOM 883 CD GLU A 57 8.261 -15.392 -1.870 1.00 61.43 C ATOM 884 OE1 GLU A 57 7.333 -16.184 -2.165 1.00 21.01 O ATOM 885 OE2 GLU A 57 9.413 -15.532 -2.354 1.00 61.12 O ATOM 0 H GLU A 57 4.940 -12.736 -2.678 1.00 32.32 H new ATOM 0 HA GLU A 57 5.715 -13.316 -0.040 1.00 12.55 H new ATOM 0 HB2 GLU A 57 6.710 -13.558 -2.588 1.00 21.01 H new ATOM 0 HB3 GLU A 57 7.735 -12.298 -1.931 1.00 21.01 H new ATOM 0 HG2 GLU A 57 8.881 -13.753 -0.607 1.00 30.12 H new ATOM 0 HG3 GLU A 57 7.424 -14.559 -0.061 1.00 30.12 H new ATOM 892 N LYS A 58 6.333 -10.210 -1.033 1.00 13.42 N ATOM 893 CA LYS A 58 6.516 -8.822 -0.655 1.00 34.02 C ATOM 894 C LYS A 58 5.161 -8.184 -0.395 1.00 11.15 C ATOM 895 O LYS A 58 4.741 -7.287 -1.120 1.00 71.24 O ATOM 896 CB LYS A 58 7.283 -8.107 -1.768 1.00 70.33 C ATOM 897 CG LYS A 58 8.689 -8.697 -1.885 1.00 45.44 C ATOM 898 CD LYS A 58 9.437 -7.984 -2.999 1.00 24.11 C ATOM 899 CE LYS A 58 10.679 -8.797 -3.348 1.00 51.40 C ATOM 900 NZ LYS A 58 10.578 -9.371 -4.704 1.00 51.20 N ATOM 0 H LYS A 58 6.336 -10.342 -2.044 1.00 13.42 H new ATOM 0 HA LYS A 58 7.096 -8.743 0.264 1.00 34.02 H new ATOM 0 HB2 LYS A 58 6.753 -8.214 -2.715 1.00 70.33 H new ATOM 0 HB3 LYS A 58 7.342 -7.040 -1.555 1.00 70.33 H new ATOM 0 HG2 LYS A 58 9.223 -8.585 -0.942 1.00 45.44 H new ATOM 0 HG3 LYS A 58 8.632 -9.765 -2.094 1.00 45.44 H new ATOM 0 HD2 LYS A 58 8.797 -7.875 -3.875 1.00 24.11 H new ATOM 0 HD3 LYS A 58 9.719 -6.979 -2.683 1.00 24.11 H new ATOM 0 HE2 LYS A 58 11.562 -8.162 -3.284 1.00 51.40 H new ATOM 0 HE3 LYS A 58 10.809 -9.598 -2.620 1.00 51.40 H new ATOM 0 HZ1 LYS A 58 11.531 -9.493 -5.101 1.00 51.20 H new ATOM 0 HZ2 LYS A 58 10.102 -10.294 -4.656 1.00 51.20 H new ATOM 0 HZ3 LYS A 58 10.029 -8.730 -5.312 1.00 51.20 H new ATOM 914 N TRP A 59 4.447 -8.682 0.603 1.00 12.23 N ATOM 915 CA TRP A 59 3.276 -8.010 1.146 1.00 54.30 C ATOM 916 C TRP A 59 3.461 -7.763 2.644 1.00 31.42 C ATOM 917 O TRP A 59 3.060 -8.609 3.447 1.00 3.54 O ATOM 918 CB TRP A 59 1.978 -8.743 0.799 1.00 12.45 C ATOM 919 CG TRP A 59 0.761 -7.907 1.049 1.00 11.13 C ATOM 920 CD1 TRP A 59 0.085 -7.850 2.217 1.00 42.53 C ATOM 921 CD2 TRP A 59 0.173 -6.875 0.201 1.00 72.01 C ATOM 922 NE1 TRP A 59 -0.875 -6.863 2.143 1.00 12.44 N ATOM 923 CE2 TRP A 59 -0.891 -6.250 0.912 1.00 43.24 C ATOM 924 CE3 TRP A 59 0.487 -6.337 -1.064 1.00 5.42 C ATOM 925 CZ2 TRP A 59 -1.630 -5.187 0.366 1.00 21.11 C ATOM 926 CZ3 TRP A 59 -0.249 -5.285 -1.628 1.00 1.13 C ATOM 927 CH2 TRP A 59 -1.310 -4.719 -0.912 1.00 23.21 C ATOM 0 H TRP A 59 4.664 -9.567 1.061 1.00 12.23 H new ATOM 0 HA TRP A 59 3.179 -7.034 0.671 1.00 54.30 H new ATOM 0 HB2 TRP A 59 2.002 -9.040 -0.250 1.00 12.45 H new ATOM 0 HB3 TRP A 59 1.913 -9.658 1.388 1.00 12.45 H new ATOM 0 HD1 TRP A 59 0.268 -8.480 3.075 1.00 42.53 H new ATOM 0 HE1 TRP A 59 -1.500 -6.617 2.911 1.00 12.44 H new ATOM 0 HE3 TRP A 59 1.320 -6.748 -1.615 1.00 5.42 H new ATOM 0 HZ2 TRP A 59 -2.436 -4.737 0.927 1.00 21.11 H new ATOM 0 HZ3 TRP A 59 0.002 -4.913 -2.610 1.00 1.13 H new ATOM 0 HH2 TRP A 59 -1.885 -3.916 -1.349 1.00 23.21 H new ATOM 938 N PRO A 60 4.102 -6.661 3.066 1.00 5.45 N ATOM 939 CA PRO A 60 3.891 -6.157 4.417 1.00 45.54 C ATOM 940 C PRO A 60 2.394 -5.944 4.628 1.00 21.12 C ATOM 941 O PRO A 60 1.718 -5.316 3.810 1.00 54.31 O ATOM 942 CB PRO A 60 4.700 -4.853 4.525 1.00 11.15 C ATOM 943 CG PRO A 60 4.870 -4.398 3.075 1.00 21.41 C ATOM 944 CD PRO A 60 4.880 -5.707 2.285 1.00 61.10 C ATOM 0 HA PRO A 60 4.225 -6.848 5.191 1.00 45.54 H new ATOM 0 HB2 PRO A 60 4.174 -4.105 5.118 1.00 11.15 H new ATOM 0 HB3 PRO A 60 5.664 -5.021 5.006 1.00 11.15 H new ATOM 0 HG2 PRO A 60 4.054 -3.747 2.761 1.00 21.41 H new ATOM 0 HG3 PRO A 60 5.795 -3.839 2.936 1.00 21.41 H new ATOM 0 HD2 PRO A 60 4.445 -5.568 1.296 1.00 61.10 H new ATOM 0 HD3 PRO A 60 5.899 -6.064 2.137 1.00 61.10 H new ATOM 952 N LEU A 61 1.856 -6.556 5.682 1.00 61.11 N ATOM 953 CA LEU A 61 0.492 -6.289 6.119 1.00 22.43 C ATOM 954 C LEU A 61 0.426 -4.887 6.702 1.00 2.23 C ATOM 955 O LEU A 61 1.125 -4.591 7.665 1.00 64.23 O ATOM 956 CB LEU A 61 0.036 -7.308 7.161 1.00 34.32 C ATOM 957 CG LEU A 61 -0.412 -8.630 6.522 1.00 11.12 C ATOM 958 CD1 LEU A 61 -0.456 -9.693 7.612 1.00 14.42 C ATOM 959 CD2 LEU A 61 -1.757 -8.483 5.811 1.00 21.12 C ATOM 0 H LEU A 61 2.350 -7.244 6.250 1.00 61.11 H new ATOM 0 HA LEU A 61 -0.174 -6.370 5.260 1.00 22.43 H new ATOM 0 HB2 LEU A 61 0.851 -7.501 7.858 1.00 34.32 H new ATOM 0 HB3 LEU A 61 -0.787 -6.889 7.740 1.00 34.32 H new ATOM 0 HG LEU A 61 0.300 -8.929 5.753 1.00 11.12 H new ATOM 0 HD11 LEU A 61 -0.772 -10.643 7.181 1.00 14.42 H new ATOM 0 HD12 LEU A 61 0.535 -9.806 8.051 1.00 14.42 H new ATOM 0 HD13 LEU A 61 -1.163 -9.392 8.385 1.00 14.42 H new ATOM 0 HD21 LEU A 61 -2.042 -9.438 5.371 1.00 21.12 H new ATOM 0 HD22 LEU A 61 -2.516 -8.173 6.529 1.00 21.12 H new ATOM 0 HD23 LEU A 61 -1.673 -7.732 5.025 1.00 21.12 H new ATOM 971 N LEU A 62 -0.397 -4.045 6.082 1.00 1.41 N ATOM 972 CA LEU A 62 -0.453 -2.614 6.354 1.00 34.42 C ATOM 973 C LEU A 62 -1.463 -2.371 7.475 1.00 34.04 C ATOM 974 O LEU A 62 -2.603 -2.843 7.374 1.00 73.12 O ATOM 975 CB LEU A 62 -0.864 -1.866 5.066 1.00 14.31 C ATOM 976 CG LEU A 62 -0.099 -2.291 3.791 1.00 23.13 C ATOM 977 CD1 LEU A 62 -0.622 -1.516 2.581 1.00 63.32 C ATOM 978 CD2 LEU A 62 1.415 -2.096 3.890 1.00 41.22 C ATOM 0 H LEU A 62 -1.055 -4.345 5.363 1.00 1.41 H new ATOM 0 HA LEU A 62 0.522 -2.242 6.669 1.00 34.42 H new ATOM 0 HB2 LEU A 62 -1.930 -2.019 4.900 1.00 14.31 H new ATOM 0 HB3 LEU A 62 -0.716 -0.797 5.221 1.00 14.31 H new ATOM 0 HG LEU A 62 -0.279 -3.360 3.676 1.00 23.13 H new ATOM 0 HD11 LEU A 62 -0.076 -1.823 1.689 1.00 63.32 H new ATOM 0 HD12 LEU A 62 -1.684 -1.724 2.447 1.00 63.32 H new ATOM 0 HD13 LEU A 62 -0.479 -0.448 2.744 1.00 63.32 H new ATOM 0 HD21 LEU A 62 1.885 -2.415 2.960 1.00 41.22 H new ATOM 0 HD22 LEU A 62 1.636 -1.043 4.065 1.00 41.22 H new ATOM 0 HD23 LEU A 62 1.805 -2.691 4.716 1.00 41.22 H new ATOM 990 N ASP A 63 -1.103 -1.650 8.532 1.00 10.13 N ATOM 991 CA ASP A 63 -2.002 -1.274 9.626 1.00 31.11 C ATOM 992 C ASP A 63 -2.745 0.031 9.309 1.00 51.50 C ATOM 993 O ASP A 63 -2.549 0.649 8.257 1.00 72.41 O ATOM 994 CB ASP A 63 -1.290 -1.108 11.002 1.00 72.23 C ATOM 995 CG ASP A 63 0.167 -1.537 11.221 1.00 33.12 C ATOM 996 OD1 ASP A 63 0.998 -1.498 10.298 1.00 64.00 O ATOM 997 OD2 ASP A 63 0.497 -1.805 12.409 1.00 25.42 O ATOM 0 H ASP A 63 -0.153 -1.300 8.658 1.00 10.13 H new ATOM 0 HA ASP A 63 -2.700 -2.107 9.710 1.00 31.11 H new ATOM 0 HB2 ASP A 63 -1.349 -0.051 11.261 1.00 72.23 H new ATOM 0 HB3 ASP A 63 -1.890 -1.649 11.734 1.00 72.23 H new ATOM 1002 N SER A 64 -3.595 0.489 10.237 1.00 33.33 N ATOM 1003 CA SER A 64 -4.176 1.822 10.183 1.00 21.35 C ATOM 1004 C SER A 64 -3.160 2.936 10.427 1.00 44.21 C ATOM 1005 O SER A 64 -3.431 4.082 10.063 1.00 1.35 O ATOM 1006 CB SER A 64 -5.293 1.953 11.214 1.00 12.44 C ATOM 1007 OG SER A 64 -6.427 1.185 10.852 1.00 63.03 O ATOM 0 H SER A 64 -3.894 -0.060 11.043 1.00 33.33 H new ATOM 0 HA SER A 64 -4.562 1.939 9.170 1.00 21.35 H new ATOM 0 HB2 SER A 64 -4.929 1.629 12.189 1.00 12.44 H new ATOM 0 HB3 SER A 64 -5.578 3.001 11.312 1.00 12.44 H new ATOM 0 HG SER A 64 -7.124 1.289 11.533 1.00 63.03 H new ATOM 1013 N GLU A 65 -2.002 2.629 11.009 1.00 25.22 N ATOM 1014 CA GLU A 65 -1.001 3.623 11.380 1.00 51.50 C ATOM 1015 C GLU A 65 -0.455 4.377 10.163 1.00 53.50 C ATOM 1016 O GLU A 65 -0.071 5.536 10.280 1.00 71.03 O ATOM 1017 CB GLU A 65 0.091 2.955 12.223 1.00 2.44 C ATOM 1018 CG GLU A 65 0.934 1.912 11.476 1.00 43.14 C ATOM 1019 CD GLU A 65 2.309 2.458 11.078 1.00 62.12 C ATOM 1020 OE1 GLU A 65 3.117 2.800 11.969 1.00 63.01 O ATOM 1021 OE2 GLU A 65 2.602 2.527 9.863 1.00 34.04 O ATOM 0 H GLU A 65 -1.731 1.673 11.238 1.00 25.22 H new ATOM 0 HA GLU A 65 -1.471 4.392 11.993 1.00 51.50 H new ATOM 0 HB2 GLU A 65 0.755 3.728 12.611 1.00 2.44 H new ATOM 0 HB3 GLU A 65 -0.376 2.475 13.083 1.00 2.44 H new ATOM 0 HG2 GLU A 65 1.063 1.032 12.106 1.00 43.14 H new ATOM 0 HG3 GLU A 65 0.401 1.589 10.582 1.00 43.14 H new ATOM 1028 N THR A 66 -0.504 3.763 8.983 1.00 14.43 N ATOM 1029 CA THR A 66 -0.108 4.379 7.721 1.00 52.11 C ATOM 1030 C THR A 66 -1.308 4.949 6.943 1.00 73.02 C ATOM 1031 O THR A 66 -1.146 5.630 5.928 1.00 65.21 O ATOM 1032 CB THR A 66 0.603 3.314 6.871 1.00 44.21 C ATOM 1033 OG1 THR A 66 1.220 2.294 7.640 1.00 43.34 O ATOM 1034 CG2 THR A 66 1.620 3.943 5.918 1.00 1.15 C ATOM 0 H THR A 66 -0.828 2.802 8.876 1.00 14.43 H new ATOM 0 HA THR A 66 0.554 5.217 7.939 1.00 52.11 H new ATOM 0 HB THR A 66 -0.185 2.838 6.288 1.00 44.21 H new ATOM 0 HG1 THR A 66 1.731 2.699 8.372 1.00 43.34 H new ATOM 0 HG21 THR A 66 2.103 3.160 5.333 1.00 1.15 H new ATOM 0 HG22 THR A 66 1.111 4.635 5.247 1.00 1.15 H new ATOM 0 HG23 THR A 66 2.372 4.483 6.493 1.00 1.15 H new ATOM 1042 N MET A 67 -2.532 4.695 7.404 1.00 4.31 N ATOM 1043 CA MET A 67 -3.770 4.910 6.647 1.00 43.32 C ATOM 1044 C MET A 67 -4.627 6.012 7.274 1.00 2.54 C ATOM 1045 O MET A 67 -5.783 6.216 6.880 1.00 70.44 O ATOM 1046 CB MET A 67 -4.534 3.586 6.515 1.00 34.03 C ATOM 1047 CG MET A 67 -3.826 2.551 5.632 1.00 30.24 C ATOM 1048 SD MET A 67 -3.681 2.966 3.870 1.00 62.23 S ATOM 1049 CE MET A 67 -5.417 2.912 3.371 1.00 12.31 C ATOM 0 H MET A 67 -2.697 4.324 8.340 1.00 4.31 H new ATOM 0 HA MET A 67 -3.515 5.255 5.645 1.00 43.32 H new ATOM 0 HB2 MET A 67 -4.683 3.162 7.508 1.00 34.03 H new ATOM 0 HB3 MET A 67 -5.523 3.787 6.103 1.00 34.03 H new ATOM 0 HG2 MET A 67 -2.824 2.389 6.030 1.00 30.24 H new ATOM 0 HG3 MET A 67 -4.360 1.604 5.718 1.00 30.24 H new ATOM 0 HE1 MET A 67 -5.536 2.211 2.545 1.00 12.31 H new ATOM 0 HE2 MET A 67 -6.028 2.588 4.213 1.00 12.31 H new ATOM 0 HE3 MET A 67 -5.735 3.905 3.053 1.00 12.31 H new ATOM 1059 N LYS A 68 -4.080 6.712 8.268 1.00 24.14 N ATOM 1060 CA LYS A 68 -4.647 7.933 8.817 1.00 14.32 C ATOM 1061 C LYS A 68 -4.307 9.097 7.884 1.00 40.51 C ATOM 1062 O LYS A 68 -3.236 9.116 7.269 1.00 72.32 O ATOM 1063 CB LYS A 68 -4.130 8.115 10.258 1.00 15.41 C ATOM 1064 CG LYS A 68 -2.607 8.294 10.404 1.00 51.23 C ATOM 1065 CD LYS A 68 -2.009 7.508 11.586 1.00 63.40 C ATOM 1066 CE LYS A 68 -2.415 8.035 12.974 1.00 21.44 C ATOM 1067 NZ LYS A 68 -1.523 7.546 14.059 1.00 52.44 N ATOM 0 H LYS A 68 -3.209 6.435 8.721 1.00 24.14 H new ATOM 0 HA LYS A 68 -5.734 7.888 8.878 1.00 14.32 H new ATOM 0 HB2 LYS A 68 -4.623 8.984 10.694 1.00 15.41 H new ATOM 0 HB3 LYS A 68 -4.433 7.248 10.845 1.00 15.41 H new ATOM 0 HG2 LYS A 68 -2.121 7.975 9.482 1.00 51.23 H new ATOM 0 HG3 LYS A 68 -2.384 9.353 10.532 1.00 51.23 H new ATOM 0 HD2 LYS A 68 -2.314 6.465 11.504 1.00 63.40 H new ATOM 0 HD3 LYS A 68 -0.922 7.529 11.507 1.00 63.40 H new ATOM 0 HE2 LYS A 68 -2.402 9.125 12.962 1.00 21.44 H new ATOM 0 HE3 LYS A 68 -3.440 7.731 13.188 1.00 21.44 H new ATOM 0 HZ1 LYS A 68 -1.842 7.931 14.971 1.00 52.44 H new ATOM 0 HZ2 LYS A 68 -1.554 6.507 14.092 1.00 52.44 H new ATOM 0 HZ3 LYS A 68 -0.548 7.857 13.874 1.00 52.44 H new ATOM 1081 N GLU A 69 -5.210 10.068 7.770 1.00 12.14 N ATOM 1082 CA GLU A 69 -4.942 11.353 7.141 1.00 75.10 C ATOM 1083 C GLU A 69 -4.633 12.341 8.264 1.00 75.32 C ATOM 1084 O GLU A 69 -5.444 12.505 9.184 1.00 61.03 O ATOM 1085 CB GLU A 69 -6.168 11.880 6.379 1.00 63.02 C ATOM 1086 CG GLU A 69 -6.704 11.019 5.223 1.00 71.13 C ATOM 1087 CD GLU A 69 -8.163 10.656 5.492 1.00 71.30 C ATOM 1088 OE1 GLU A 69 -9.023 11.555 5.371 1.00 74.04 O ATOM 1089 OE2 GLU A 69 -8.460 9.507 5.900 1.00 14.35 O ATOM 0 H GLU A 69 -6.164 9.979 8.119 1.00 12.14 H new ATOM 0 HA GLU A 69 -4.121 11.240 6.433 1.00 75.10 H new ATOM 0 HB2 GLU A 69 -6.976 12.022 7.097 1.00 63.02 H new ATOM 0 HB3 GLU A 69 -5.920 12.864 5.980 1.00 63.02 H new ATOM 0 HG2 GLU A 69 -6.621 11.563 4.282 1.00 71.13 H new ATOM 0 HG3 GLU A 69 -6.106 10.114 5.122 1.00 71.13 H new ATOM 1096 N GLU A 70 -3.509 13.035 8.163 1.00 62.41 N ATOM 1097 CA GLU A 70 -3.118 14.163 8.987 1.00 11.31 C ATOM 1098 C GLU A 70 -2.263 15.087 8.108 1.00 60.40 C ATOM 1099 O GLU A 70 -1.924 14.747 6.966 1.00 71.02 O ATOM 1100 CB GLU A 70 -2.373 13.631 10.226 1.00 62.44 C ATOM 1101 CG GLU A 70 -2.010 14.675 11.286 1.00 51.24 C ATOM 1102 CD GLU A 70 -3.188 15.537 11.736 1.00 54.14 C ATOM 1103 OE1 GLU A 70 -4.065 14.992 12.462 1.00 73.44 O ATOM 1104 OE2 GLU A 70 -3.200 16.738 11.415 1.00 31.35 O ATOM 0 H GLU A 70 -2.805 12.810 7.460 1.00 62.41 H new ATOM 0 HA GLU A 70 -3.967 14.737 9.357 1.00 11.31 H new ATOM 0 HB2 GLU A 70 -2.989 12.864 10.695 1.00 62.44 H new ATOM 0 HB3 GLU A 70 -1.456 13.144 9.894 1.00 62.44 H new ATOM 0 HG2 GLU A 70 -1.592 14.166 12.155 1.00 51.24 H new ATOM 0 HG3 GLU A 70 -1.228 15.324 10.890 1.00 51.24 H new ATOM 1111 N ARG A 71 -1.934 16.283 8.591 1.00 3.21 N ATOM 1112 CA ARG A 71 -1.137 17.261 7.870 1.00 43.52 C ATOM 1113 C ARG A 71 -0.299 18.011 8.896 1.00 73.22 C ATOM 1114 O ARG A 71 -0.844 18.829 9.634 1.00 11.23 O ATOM 1115 CB ARG A 71 -2.087 18.154 7.052 1.00 13.22 C ATOM 1116 CG ARG A 71 -1.448 18.676 5.761 1.00 24.15 C ATOM 1117 CD ARG A 71 -0.673 19.984 5.904 1.00 62.12 C ATOM 1118 NE ARG A 71 -1.542 21.061 6.396 1.00 75.21 N ATOM 1119 CZ ARG A 71 -1.131 22.261 6.808 1.00 74.42 C ATOM 1120 NH1 ARG A 71 0.081 22.699 6.495 1.00 74.40 N ATOM 1121 NH2 ARG A 71 -1.937 22.993 7.564 1.00 34.12 N ATOM 0 H ARG A 71 -2.223 16.602 9.516 1.00 3.21 H new ATOM 0 HA ARG A 71 -0.448 16.813 7.154 1.00 43.52 H new ATOM 0 HB2 ARG A 71 -2.986 17.589 6.804 1.00 13.22 H new ATOM 0 HB3 ARG A 71 -2.401 19.000 7.664 1.00 13.22 H new ATOM 0 HG2 ARG A 71 -0.773 17.913 5.374 1.00 24.15 H new ATOM 0 HG3 ARG A 71 -2.232 18.816 5.017 1.00 24.15 H new ATOM 0 HD2 ARG A 71 0.161 19.843 6.591 1.00 62.12 H new ATOM 0 HD3 ARG A 71 -0.248 20.266 4.941 1.00 62.12 H new ATOM 0 HE ARG A 71 -2.545 20.876 6.425 1.00 75.21 H new ATOM 0 HH11 ARG A 71 0.705 22.117 5.936 1.00 74.40 H new ATOM 0 HH12 ARG A 71 0.389 23.618 6.813 1.00 74.40 H new ATOM 0 HH21 ARG A 71 -2.857 22.636 7.823 1.00 34.12 H new ATOM 0 HH22 ARG A 71 -1.637 23.913 7.887 1.00 34.12 H new ATOM 1135 N ILE A 72 0.975 17.655 9.026 1.00 2.55 N ATOM 1136 CA ILE A 72 1.868 18.112 10.078 1.00 20.03 C ATOM 1137 C ILE A 72 2.815 19.124 9.447 1.00 21.25 C ATOM 1138 O ILE A 72 3.751 18.739 8.751 1.00 23.01 O ATOM 1139 CB ILE A 72 2.632 16.928 10.724 1.00 4.25 C ATOM 1140 CG1 ILE A 72 1.719 15.772 11.188 1.00 33.45 C ATOM 1141 CG2 ILE A 72 3.423 17.434 11.943 1.00 75.32 C ATOM 1142 CD1 ILE A 72 1.506 14.676 10.134 1.00 12.33 C ATOM 0 H ILE A 72 1.429 17.015 8.374 1.00 2.55 H new ATOM 0 HA ILE A 72 1.306 18.577 10.888 1.00 20.03 H new ATOM 0 HB ILE A 72 3.287 16.533 9.947 1.00 4.25 H new ATOM 0 HG12 ILE A 72 2.149 15.321 12.083 1.00 33.45 H new ATOM 0 HG13 ILE A 72 0.749 16.181 11.471 1.00 33.45 H new ATOM 0 HG21 ILE A 72 3.961 16.602 12.398 1.00 75.32 H new ATOM 0 HG22 ILE A 72 4.135 18.196 11.624 1.00 75.32 H new ATOM 0 HG23 ILE A 72 2.734 17.863 12.671 1.00 75.32 H new ATOM 0 HD11 ILE A 72 0.854 13.903 10.540 1.00 12.33 H new ATOM 0 HD12 ILE A 72 1.046 15.110 9.246 1.00 12.33 H new ATOM 0 HD13 ILE A 72 2.467 14.236 9.867 1.00 12.33 H new ATOM 1154 N THR A 73 2.579 20.413 9.670 1.00 51.32 N ATOM 1155 CA THR A 73 3.573 21.426 9.345 1.00 11.32 C ATOM 1156 C THR A 73 4.744 21.288 10.324 1.00 2.41 C ATOM 1157 O THR A 73 4.532 21.264 11.538 1.00 63.02 O ATOM 1158 CB THR A 73 2.912 22.817 9.303 1.00 2.41 C ATOM 1159 OG1 THR A 73 3.843 23.828 8.970 1.00 13.33 O ATOM 1160 CG2 THR A 73 2.140 23.231 10.561 1.00 21.33 C ATOM 0 H THR A 73 1.715 20.777 10.071 1.00 51.32 H new ATOM 0 HA THR A 73 3.989 21.286 8.347 1.00 11.32 H new ATOM 0 HB THR A 73 2.163 22.712 8.518 1.00 2.41 H new ATOM 0 HG1 THR A 73 3.390 24.697 8.951 1.00 13.33 H new ATOM 0 HG21 THR A 73 1.718 24.226 10.418 1.00 21.33 H new ATOM 0 HG22 THR A 73 1.336 22.519 10.745 1.00 21.33 H new ATOM 0 HG23 THR A 73 2.816 23.243 11.416 1.00 21.33 H new ATOM 1168 N GLN A 74 5.965 21.148 9.812 1.00 21.14 N ATOM 1169 CA GLN A 74 7.214 21.238 10.542 1.00 64.23 C ATOM 1170 C GLN A 74 8.126 22.183 9.758 1.00 53.12 C ATOM 1171 O GLN A 74 7.866 22.459 8.584 1.00 61.44 O ATOM 1172 CB GLN A 74 7.867 19.859 10.693 1.00 1.52 C ATOM 1173 CG GLN A 74 6.851 18.755 10.983 1.00 12.43 C ATOM 1174 CD GLN A 74 7.483 17.390 11.250 1.00 52.41 C ATOM 1175 OE1 GLN A 74 8.462 17.270 11.990 1.00 61.00 O ATOM 1176 NE2 GLN A 74 6.934 16.353 10.635 1.00 2.54 N ATOM 0 H GLN A 74 6.110 20.958 8.820 1.00 21.14 H new ATOM 0 HA GLN A 74 7.038 21.615 11.549 1.00 64.23 H new ATOM 0 HB2 GLN A 74 8.410 19.617 9.780 1.00 1.52 H new ATOM 0 HB3 GLN A 74 8.599 19.894 11.500 1.00 1.52 H new ATOM 0 HG2 GLN A 74 6.252 19.043 11.847 1.00 12.43 H new ATOM 0 HG3 GLN A 74 6.169 18.670 10.137 1.00 12.43 H new ATOM 0 HE21 GLN A 74 6.124 16.489 10.030 1.00 2.54 H new ATOM 0 HE22 GLN A 74 7.321 15.418 10.767 1.00 2.54 H new ATOM 1185 N GLU A 75 9.191 22.672 10.388 1.00 34.45 N ATOM 1186 CA GLU A 75 10.019 23.771 9.869 1.00 40.44 C ATOM 1187 C GLU A 75 11.519 23.481 9.982 1.00 71.32 C ATOM 1188 O GLU A 75 12.350 24.299 9.600 1.00 20.01 O ATOM 1189 CB GLU A 75 9.622 25.060 10.595 1.00 2.12 C ATOM 1190 CG GLU A 75 8.345 25.631 9.965 1.00 4.43 C ATOM 1191 CD GLU A 75 7.686 26.701 10.824 1.00 75.01 C ATOM 1192 OE1 GLU A 75 6.962 26.300 11.773 1.00 0.21 O ATOM 1193 OE2 GLU A 75 7.833 27.896 10.492 1.00 4.35 O ATOM 0 H GLU A 75 9.513 22.314 11.287 1.00 34.45 H new ATOM 0 HA GLU A 75 9.833 23.884 8.801 1.00 40.44 H new ATOM 0 HB2 GLU A 75 9.459 24.858 11.654 1.00 2.12 H new ATOM 0 HB3 GLU A 75 10.429 25.789 10.531 1.00 2.12 H new ATOM 0 HG2 GLU A 75 8.585 26.053 8.989 1.00 4.43 H new ATOM 0 HG3 GLU A 75 7.636 24.821 9.796 1.00 4.43 H new ATOM 1200 N GLU A 76 11.876 22.290 10.452 1.00 32.33 N ATOM 1201 CA GLU A 76 13.206 21.695 10.298 1.00 14.45 C ATOM 1202 C GLU A 76 13.136 20.428 9.437 1.00 14.14 C ATOM 1203 O GLU A 76 13.940 19.507 9.584 1.00 12.34 O ATOM 1204 CB GLU A 76 13.881 21.485 11.669 1.00 64.32 C ATOM 1205 CG GLU A 76 14.343 22.803 12.314 1.00 2.25 C ATOM 1206 CD GLU A 76 15.464 23.532 11.552 1.00 12.54 C ATOM 1207 OE1 GLU A 76 15.950 23.040 10.501 1.00 13.33 O ATOM 1208 OE2 GLU A 76 15.868 24.622 12.011 1.00 4.53 O ATOM 0 H GLU A 76 11.230 21.691 10.967 1.00 32.33 H new ATOM 0 HA GLU A 76 13.850 22.389 9.758 1.00 14.45 H new ATOM 0 HB2 GLU A 76 13.183 20.983 12.339 1.00 64.32 H new ATOM 0 HB3 GLU A 76 14.739 20.824 11.549 1.00 64.32 H new ATOM 0 HG2 GLU A 76 13.486 23.471 12.399 1.00 2.25 H new ATOM 0 HG3 GLU A 76 14.686 22.595 13.327 1.00 2.25 H new ATOM 1215 N GLY A 77 12.180 20.366 8.507 1.00 34.03 N ATOM 1216 CA GLY A 77 12.010 19.227 7.617 1.00 52.11 C ATOM 1217 C GLY A 77 11.047 19.569 6.495 1.00 61.31 C ATOM 1218 O GLY A 77 11.480 19.750 5.359 1.00 24.25 O ATOM 0 H GLY A 77 11.501 21.111 8.354 1.00 34.03 H new ATOM 0 HA2 GLY A 77 12.974 18.936 7.201 1.00 52.11 H new ATOM 0 HA3 GLY A 77 11.634 18.372 8.179 1.00 52.11 H new ATOM 1222 N GLY A 78 9.755 19.696 6.788 1.00 73.14 N ATOM 1223 CA GLY A 78 8.765 20.075 5.790 1.00 21.24 C ATOM 1224 C GLY A 78 7.353 19.947 6.341 1.00 40.50 C ATOM 1225 O GLY A 78 7.143 19.533 7.484 1.00 0.11 O ATOM 0 H GLY A 78 9.369 19.540 7.719 1.00 73.14 H new ATOM 0 HA2 GLY A 78 8.942 21.102 5.470 1.00 21.24 H new ATOM 0 HA3 GLY A 78 8.873 19.443 4.908 1.00 21.24 H new ATOM 1229 N ILE A 79 6.370 20.273 5.506 1.00 14.25 N ATOM 1230 CA ILE A 79 4.975 19.974 5.779 1.00 75.03 C ATOM 1231 C ILE A 79 4.723 18.535 5.349 1.00 23.15 C ATOM 1232 O ILE A 79 4.742 18.259 4.160 1.00 15.11 O ATOM 1233 CB ILE A 79 4.041 21.007 5.105 1.00 2.32 C ATOM 1234 CG1 ILE A 79 4.375 22.443 5.574 1.00 0.15 C ATOM 1235 CG2 ILE A 79 2.567 20.655 5.373 1.00 14.33 C ATOM 1236 CD1 ILE A 79 3.440 23.519 5.016 1.00 40.51 C ATOM 0 H ILE A 79 6.523 20.753 4.619 1.00 14.25 H new ATOM 0 HA ILE A 79 4.751 20.058 6.842 1.00 75.03 H new ATOM 0 HB ILE A 79 4.204 20.970 4.028 1.00 2.32 H new ATOM 0 HG12 ILE A 79 4.339 22.475 6.663 1.00 0.15 H new ATOM 0 HG13 ILE A 79 5.398 22.680 5.282 1.00 0.15 H new ATOM 0 HG21 ILE A 79 1.924 21.392 4.892 1.00 14.33 H new ATOM 0 HG22 ILE A 79 2.350 19.666 4.970 1.00 14.33 H new ATOM 0 HG23 ILE A 79 2.382 20.658 6.447 1.00 14.33 H new ATOM 0 HD11 ILE A 79 3.743 24.496 5.393 1.00 40.51 H new ATOM 0 HD12 ILE A 79 3.493 23.518 3.927 1.00 40.51 H new ATOM 0 HD13 ILE A 79 2.417 23.310 5.330 1.00 40.51 H new ATOM 1248 N TYR A 80 4.522 17.611 6.285 1.00 54.33 N ATOM 1249 CA TYR A 80 4.097 16.258 5.954 1.00 23.43 C ATOM 1250 C TYR A 80 2.593 16.267 5.676 1.00 24.41 C ATOM 1251 O TYR A 80 1.834 16.933 6.392 1.00 63.22 O ATOM 1252 CB TYR A 80 4.422 15.302 7.105 1.00 21.21 C ATOM 1253 CG TYR A 80 4.293 13.846 6.696 1.00 54.32 C ATOM 1254 CD1 TYR A 80 5.312 13.236 5.941 1.00 15.35 C ATOM 1255 CD2 TYR A 80 3.133 13.114 7.005 1.00 14.12 C ATOM 1256 CE1 TYR A 80 5.213 11.890 5.549 1.00 54.54 C ATOM 1257 CE2 TYR A 80 3.017 11.773 6.604 1.00 43.24 C ATOM 1258 CZ TYR A 80 4.070 11.143 5.902 1.00 34.02 C ATOM 1259 OH TYR A 80 3.999 9.820 5.603 1.00 61.12 O ATOM 0 H TYR A 80 4.648 17.778 7.283 1.00 54.33 H new ATOM 0 HA TYR A 80 4.630 15.913 5.068 1.00 23.43 H new ATOM 0 HB2 TYR A 80 5.437 15.490 7.456 1.00 21.21 H new ATOM 0 HB3 TYR A 80 3.753 15.503 7.942 1.00 21.21 H new ATOM 0 HD1 TYR A 80 6.182 13.810 5.659 1.00 15.35 H new ATOM 0 HD2 TYR A 80 2.329 13.584 7.552 1.00 14.12 H new ATOM 0 HE1 TYR A 80 6.008 11.430 4.981 1.00 54.54 H new ATOM 0 HE2 TYR A 80 2.118 11.220 6.833 1.00 43.24 H new ATOM 0 HH TYR A 80 3.144 9.459 5.918 1.00 61.12 H new ATOM 1269 N VAL A 81 2.144 15.508 4.680 1.00 2.43 N ATOM 1270 CA VAL A 81 0.769 15.479 4.214 1.00 12.11 C ATOM 1271 C VAL A 81 0.413 14.032 3.873 1.00 73.10 C ATOM 1272 O VAL A 81 1.157 13.369 3.153 1.00 42.22 O ATOM 1273 CB VAL A 81 0.617 16.390 2.971 1.00 32.21 C ATOM 1274 CG1 VAL A 81 -0.868 16.547 2.632 1.00 74.44 C ATOM 1275 CG2 VAL A 81 1.230 17.789 3.132 1.00 23.23 C ATOM 0 H VAL A 81 2.752 14.876 4.160 1.00 2.43 H new ATOM 0 HA VAL A 81 0.095 15.850 4.986 1.00 12.11 H new ATOM 0 HB VAL A 81 1.168 15.895 2.171 1.00 32.21 H new ATOM 0 HG11 VAL A 81 -0.976 17.188 1.757 1.00 74.44 H new ATOM 0 HG12 VAL A 81 -1.298 15.568 2.420 1.00 74.44 H new ATOM 0 HG13 VAL A 81 -1.389 16.997 3.478 1.00 74.44 H new ATOM 0 HG21 VAL A 81 1.079 18.360 2.216 1.00 23.23 H new ATOM 0 HG22 VAL A 81 0.749 18.303 3.964 1.00 23.23 H new ATOM 0 HG23 VAL A 81 2.298 17.698 3.331 1.00 23.23 H new ATOM 1285 N SER A 82 -0.736 13.556 4.354 1.00 22.14 N ATOM 1286 CA SER A 82 -1.334 12.271 4.015 1.00 40.22 C ATOM 1287 C SER A 82 -2.770 12.570 3.591 1.00 74.21 C ATOM 1288 O SER A 82 -3.582 12.960 4.441 1.00 75.04 O ATOM 1289 CB SER A 82 -1.261 11.361 5.251 1.00 40.24 C ATOM 1290 OG SER A 82 -1.872 10.098 5.057 1.00 60.30 O ATOM 0 H SER A 82 -1.299 14.083 5.022 1.00 22.14 H new ATOM 0 HA SER A 82 -0.819 11.753 3.205 1.00 40.22 H new ATOM 0 HB2 SER A 82 -0.216 11.213 5.523 1.00 40.24 H new ATOM 0 HB3 SER A 82 -1.741 11.863 6.091 1.00 40.24 H new ATOM 0 HG SER A 82 -2.328 9.825 5.880 1.00 60.30 H new ATOM 1296 N LYS A 83 -3.100 12.492 2.295 1.00 53.12 N ATOM 1297 CA LYS A 83 -4.493 12.569 1.837 1.00 21.15 C ATOM 1298 C LYS A 83 -4.675 11.889 0.478 1.00 41.44 C ATOM 1299 O LYS A 83 -3.740 11.394 -0.145 1.00 24.33 O ATOM 1300 CB LYS A 83 -5.043 14.020 1.867 1.00 20.04 C ATOM 1301 CG LYS A 83 -4.485 14.971 0.797 1.00 4.22 C ATOM 1302 CD LYS A 83 -4.936 16.433 1.006 1.00 55.50 C ATOM 1303 CE LYS A 83 -3.986 17.153 1.975 1.00 52.24 C ATOM 1304 NZ LYS A 83 -4.300 18.586 2.203 1.00 53.40 N ATOM 0 H LYS A 83 -2.420 12.375 1.544 1.00 53.12 H new ATOM 0 HA LYS A 83 -5.100 12.009 2.548 1.00 21.15 H new ATOM 0 HB2 LYS A 83 -6.127 13.979 1.760 1.00 20.04 H new ATOM 0 HB3 LYS A 83 -4.835 14.446 2.848 1.00 20.04 H new ATOM 0 HG2 LYS A 83 -3.396 14.926 0.809 1.00 4.22 H new ATOM 0 HG3 LYS A 83 -4.807 14.633 -0.188 1.00 4.22 H new ATOM 0 HD2 LYS A 83 -4.954 16.955 0.049 1.00 55.50 H new ATOM 0 HD3 LYS A 83 -5.952 16.454 1.400 1.00 55.50 H new ATOM 0 HE2 LYS A 83 -4.005 16.634 2.933 1.00 52.24 H new ATOM 0 HE3 LYS A 83 -2.969 17.075 1.590 1.00 52.24 H new ATOM 0 HZ1 LYS A 83 -3.610 18.991 2.868 1.00 53.40 H new ATOM 0 HZ2 LYS A 83 -4.253 19.100 1.300 1.00 53.40 H new ATOM 0 HZ3 LYS A 83 -5.257 18.673 2.601 1.00 53.40 H new ATOM 1318 N PHE A 84 -5.927 11.814 0.038 1.00 14.21 N ATOM 1319 CA PHE A 84 -6.306 11.283 -1.270 1.00 0.44 C ATOM 1320 C PHE A 84 -6.017 12.294 -2.381 1.00 1.54 C ATOM 1321 O PHE A 84 -6.388 13.459 -2.218 1.00 51.54 O ATOM 1322 CB PHE A 84 -7.802 10.937 -1.251 1.00 25.15 C ATOM 1323 CG PHE A 84 -8.152 9.992 -0.123 1.00 24.03 C ATOM 1324 CD1 PHE A 84 -7.831 8.631 -0.251 1.00 11.44 C ATOM 1325 CD2 PHE A 84 -8.699 10.476 1.083 1.00 41.10 C ATOM 1326 CE1 PHE A 84 -8.038 7.760 0.828 1.00 22.34 C ATOM 1327 CE2 PHE A 84 -8.932 9.593 2.151 1.00 54.34 C ATOM 1328 CZ PHE A 84 -8.590 8.237 2.030 1.00 61.22 C ATOM 0 H PHE A 84 -6.725 12.127 0.591 1.00 14.21 H new ATOM 0 HA PHE A 84 -5.717 10.388 -1.473 1.00 0.44 H new ATOM 0 HB2 PHE A 84 -8.384 11.853 -1.150 1.00 25.15 H new ATOM 0 HB3 PHE A 84 -8.081 10.485 -2.203 1.00 25.15 H new ATOM 0 HD1 PHE A 84 -7.425 8.256 -1.179 1.00 11.44 H new ATOM 0 HD2 PHE A 84 -8.939 11.524 1.186 1.00 41.10 H new ATOM 0 HE1 PHE A 84 -7.772 6.717 0.735 1.00 22.34 H new ATOM 0 HE2 PHE A 84 -9.375 9.958 3.066 1.00 54.34 H new ATOM 0 HZ PHE A 84 -8.750 7.562 2.858 1.00 61.22 H new ATOM 1338 N THR A 85 -5.441 11.856 -3.505 1.00 42.14 N ATOM 1339 CA THR A 85 -5.239 12.706 -4.689 1.00 31.41 C ATOM 1340 C THR A 85 -6.411 12.613 -5.681 1.00 5.21 C ATOM 1341 O THR A 85 -6.494 13.408 -6.624 1.00 23.01 O ATOM 1342 CB THR A 85 -3.919 12.352 -5.405 1.00 70.30 C ATOM 1343 OG1 THR A 85 -4.010 11.118 -6.078 1.00 50.53 O ATOM 1344 CG2 THR A 85 -2.738 12.232 -4.448 1.00 43.53 C ATOM 0 H THR A 85 -5.100 10.902 -3.622 1.00 42.14 H new ATOM 0 HA THR A 85 -5.187 13.733 -4.329 1.00 31.41 H new ATOM 0 HB THR A 85 -3.754 13.174 -6.101 1.00 70.30 H new ATOM 0 HG1 THR A 85 -3.158 10.924 -6.522 1.00 50.53 H new ATOM 0 HG21 THR A 85 -1.838 11.982 -5.010 1.00 43.53 H new ATOM 0 HG22 THR A 85 -2.591 13.180 -3.931 1.00 43.53 H new ATOM 0 HG23 THR A 85 -2.940 11.448 -3.718 1.00 43.53 H new ATOM 1352 N LEU A 86 -7.305 11.627 -5.518 1.00 70.10 N ATOM 1353 CA LEU A 86 -8.354 11.347 -6.486 1.00 33.34 C ATOM 1354 C LEU A 86 -9.603 10.831 -5.783 1.00 22.05 C ATOM 1355 O LEU A 86 -9.594 9.729 -5.227 1.00 4.52 O ATOM 1356 CB LEU A 86 -7.848 10.339 -7.527 1.00 45.41 C ATOM 1357 CG LEU A 86 -8.841 10.161 -8.690 1.00 2.12 C ATOM 1358 CD1 LEU A 86 -8.923 11.425 -9.557 1.00 24.32 C ATOM 1359 CD2 LEU A 86 -8.414 8.981 -9.559 1.00 51.41 C ATOM 0 H LEU A 86 -7.314 11.006 -4.709 1.00 70.10 H new ATOM 0 HA LEU A 86 -8.619 12.270 -7.002 1.00 33.34 H new ATOM 0 HB2 LEU A 86 -6.888 10.674 -7.919 1.00 45.41 H new ATOM 0 HB3 LEU A 86 -7.677 9.376 -7.046 1.00 45.41 H new ATOM 0 HG LEU A 86 -9.826 9.973 -8.262 1.00 2.12 H new ATOM 0 HD11 LEU A 86 -9.633 11.264 -10.368 1.00 24.32 H new ATOM 0 HD12 LEU A 86 -9.254 12.265 -8.946 1.00 24.32 H new ATOM 0 HD13 LEU A 86 -7.940 11.645 -9.973 1.00 24.32 H new ATOM 0 HD21 LEU A 86 -9.120 8.860 -10.380 1.00 51.41 H new ATOM 0 HD22 LEU A 86 -7.418 9.167 -9.961 1.00 51.41 H new ATOM 0 HD23 LEU A 86 -8.398 8.073 -8.957 1.00 51.41 H new ATOM 1371 N ASN A 87 -10.670 11.626 -5.845 1.00 3.11 N ATOM 1372 CA ASN A 87 -12.022 11.274 -5.437 1.00 23.24 C ATOM 1373 C ASN A 87 -12.816 10.931 -6.702 1.00 61.14 C ATOM 1374 O ASN A 87 -13.579 11.753 -7.217 1.00 12.43 O ATOM 1375 CB ASN A 87 -12.634 12.441 -4.639 1.00 74.13 C ATOM 1376 CG ASN A 87 -14.145 12.328 -4.440 1.00 73.22 C ATOM 1377 OD1 ASN A 87 -14.717 11.245 -4.354 1.00 62.20 O ATOM 1378 ND2 ASN A 87 -14.833 13.461 -4.412 1.00 71.02 N ATOM 0 H ASN A 87 -10.608 12.580 -6.200 1.00 3.11 H new ATOM 0 HA ASN A 87 -12.037 10.405 -4.779 1.00 23.24 H new ATOM 0 HB2 ASN A 87 -12.152 12.494 -3.663 1.00 74.13 H new ATOM 0 HB3 ASN A 87 -12.414 13.376 -5.154 1.00 74.13 H new ATOM 0 HD21 ASN A 87 -15.848 13.439 -4.318 1.00 71.02 H new ATOM 0 HD22 ASN A 87 -14.347 14.355 -4.484 1.00 71.02 H new ATOM 1385 N GLU A 88 -12.616 9.728 -7.235 1.00 41.34 N ATOM 1386 CA GLU A 88 -13.402 9.149 -8.316 1.00 74.31 C ATOM 1387 C GLU A 88 -14.222 7.959 -7.790 1.00 10.12 C ATOM 1388 O GLU A 88 -13.956 7.458 -6.694 1.00 42.54 O ATOM 1389 CB GLU A 88 -12.438 8.733 -9.433 1.00 70.21 C ATOM 1390 CG GLU A 88 -12.107 9.926 -10.335 1.00 4.14 C ATOM 1391 CD GLU A 88 -13.070 10.122 -11.512 1.00 2.11 C ATOM 1392 OE1 GLU A 88 -13.081 9.283 -12.440 1.00 71.10 O ATOM 1393 OE2 GLU A 88 -13.785 11.151 -11.561 1.00 52.51 O ATOM 0 H GLU A 88 -11.873 9.108 -6.912 1.00 41.34 H new ATOM 0 HA GLU A 88 -14.113 9.873 -8.714 1.00 74.31 H new ATOM 0 HB2 GLU A 88 -11.521 8.334 -8.999 1.00 70.21 H new ATOM 0 HB3 GLU A 88 -12.884 7.935 -10.026 1.00 70.21 H new ATOM 0 HG2 GLU A 88 -12.104 10.833 -9.730 1.00 4.14 H new ATOM 0 HG3 GLU A 88 -11.097 9.800 -10.726 1.00 4.14 H new ATOM 1400 N PRO A 89 -15.229 7.486 -8.543 1.00 50.54 N ATOM 1401 CA PRO A 89 -16.148 6.475 -8.047 1.00 71.12 C ATOM 1402 C PRO A 89 -15.517 5.088 -7.993 1.00 70.21 C ATOM 1403 O PRO A 89 -15.701 4.352 -7.028 1.00 21.31 O ATOM 1404 CB PRO A 89 -17.336 6.510 -9.005 1.00 63.30 C ATOM 1405 CG PRO A 89 -16.815 7.131 -10.299 1.00 41.23 C ATOM 1406 CD PRO A 89 -15.643 7.998 -9.843 1.00 65.23 C ATOM 0 HA PRO A 89 -16.443 6.686 -7.019 1.00 71.12 H new ATOM 0 HB2 PRO A 89 -17.724 5.507 -9.182 1.00 63.30 H new ATOM 0 HB3 PRO A 89 -18.154 7.100 -8.591 1.00 63.30 H new ATOM 0 HG2 PRO A 89 -16.495 6.368 -11.008 1.00 41.23 H new ATOM 0 HG3 PRO A 89 -17.583 7.725 -10.795 1.00 41.23 H new ATOM 0 HD2 PRO A 89 -14.822 7.948 -10.559 1.00 65.23 H new ATOM 0 HD3 PRO A 89 -15.940 9.044 -9.771 1.00 65.23 H new ATOM 1414 N LYS A 90 -14.824 4.704 -9.064 1.00 5.25 N ATOM 1415 CA LYS A 90 -14.241 3.373 -9.255 1.00 12.11 C ATOM 1416 C LYS A 90 -12.729 3.362 -8.985 1.00 34.03 C ATOM 1417 O LYS A 90 -12.117 2.302 -9.086 1.00 74.21 O ATOM 1418 CB LYS A 90 -14.563 2.885 -10.685 1.00 52.20 C ATOM 1419 CG LYS A 90 -15.868 2.085 -10.861 1.00 32.42 C ATOM 1420 CD LYS A 90 -17.178 2.742 -10.409 1.00 31.15 C ATOM 1421 CE LYS A 90 -17.545 2.381 -8.963 1.00 2.23 C ATOM 1422 NZ LYS A 90 -18.974 2.610 -8.652 1.00 74.12 N ATOM 0 H LYS A 90 -14.646 5.330 -9.849 1.00 5.25 H new ATOM 0 HA LYS A 90 -14.683 2.689 -8.531 1.00 12.11 H new ATOM 0 HB2 LYS A 90 -14.605 3.755 -11.341 1.00 52.20 H new ATOM 0 HB3 LYS A 90 -13.734 2.266 -11.029 1.00 52.20 H new ATOM 0 HG2 LYS A 90 -15.967 1.834 -11.917 1.00 32.42 H new ATOM 0 HG3 LYS A 90 -15.760 1.146 -10.319 1.00 32.42 H new ATOM 0 HD2 LYS A 90 -17.088 3.825 -10.499 1.00 31.15 H new ATOM 0 HD3 LYS A 90 -17.985 2.433 -11.074 1.00 31.15 H new ATOM 0 HE2 LYS A 90 -17.304 1.333 -8.784 1.00 2.23 H new ATOM 0 HE3 LYS A 90 -16.932 2.970 -8.281 1.00 2.23 H new ATOM 0 HZ1 LYS A 90 -19.160 2.348 -7.663 1.00 74.12 H new ATOM 0 HZ2 LYS A 90 -19.203 3.614 -8.794 1.00 74.12 H new ATOM 0 HZ3 LYS A 90 -19.564 2.028 -9.281 1.00 74.12 H new ATOM 1436 N HIS A 91 -12.117 4.495 -8.628 1.00 53.50 N ATOM 1437 CA HIS A 91 -10.675 4.653 -8.472 1.00 34.22 C ATOM 1438 C HIS A 91 -10.438 5.525 -7.244 1.00 1.41 C ATOM 1439 O HIS A 91 -11.086 6.562 -7.079 1.00 43.44 O ATOM 1440 CB HIS A 91 -10.112 5.281 -9.753 1.00 11.15 C ATOM 1441 CG HIS A 91 -8.615 5.213 -9.936 1.00 71.30 C ATOM 1442 ND1 HIS A 91 -7.731 4.314 -9.397 1.00 34.41 N flip ATOM 1443 CD2 HIS A 91 -7.911 5.988 -10.825 1.00 63.34 C flip ATOM 1444 CE1 HIS A 91 -6.482 4.538 -9.982 1.00 10.41 C flip ATOM 1445 NE2 HIS A 91 -6.638 5.575 -10.818 1.00 1.51 N flip ATOM 0 H HIS A 91 -12.632 5.354 -8.434 1.00 53.50 H new ATOM 0 HA HIS A 91 -10.167 3.700 -8.323 1.00 34.22 H new ATOM 0 HB2 HIS A 91 -10.582 4.794 -10.607 1.00 11.15 H new ATOM 0 HB3 HIS A 91 -10.411 6.329 -9.779 1.00 11.15 H new ATOM 0 HD2 HIS A 91 -8.314 6.790 -11.425 1.00 63.34 H new ATOM 0 HE1 HIS A 91 -5.572 3.986 -9.798 1.00 10.41 H new ATOM 0 HE2 HIS A 91 -5.890 5.991 -11.372 1.00 1.51 H new ATOM 1453 N LYS A 92 -9.531 5.117 -6.359 1.00 24.05 N ATOM 1454 CA LYS A 92 -9.107 5.928 -5.224 1.00 61.24 C ATOM 1455 C LYS A 92 -7.596 5.835 -5.136 1.00 72.10 C ATOM 1456 O LYS A 92 -7.044 4.740 -5.235 1.00 5.34 O ATOM 1457 CB LYS A 92 -9.785 5.450 -3.931 1.00 71.22 C ATOM 1458 CG LYS A 92 -9.578 6.464 -2.797 1.00 3.35 C ATOM 1459 CD LYS A 92 -10.334 6.115 -1.508 1.00 30.15 C ATOM 1460 CE LYS A 92 -9.614 5.040 -0.683 1.00 51.33 C ATOM 1461 NZ LYS A 92 -10.031 5.076 0.737 1.00 65.24 N ATOM 0 H LYS A 92 -9.068 4.210 -6.411 1.00 24.05 H new ATOM 0 HA LYS A 92 -9.403 6.968 -5.360 1.00 61.24 H new ATOM 0 HB2 LYS A 92 -10.851 5.307 -4.106 1.00 71.22 H new ATOM 0 HB3 LYS A 92 -9.377 4.482 -3.638 1.00 71.22 H new ATOM 0 HG2 LYS A 92 -8.513 6.534 -2.575 1.00 3.35 H new ATOM 0 HG3 LYS A 92 -9.898 7.448 -3.139 1.00 3.35 H new ATOM 0 HD2 LYS A 92 -10.452 7.015 -0.904 1.00 30.15 H new ATOM 0 HD3 LYS A 92 -11.335 5.766 -1.760 1.00 30.15 H new ATOM 0 HE2 LYS A 92 -9.827 4.056 -1.101 1.00 51.33 H new ATOM 0 HE3 LYS A 92 -8.536 5.189 -0.751 1.00 51.33 H new ATOM 0 HZ1 LYS A 92 -9.718 4.206 1.213 1.00 65.24 H new ATOM 0 HZ2 LYS A 92 -9.601 5.900 1.204 1.00 65.24 H new ATOM 0 HZ3 LYS A 92 -11.067 5.148 0.793 1.00 65.24 H new ATOM 1475 N ILE A 93 -6.946 6.972 -4.922 1.00 62.20 N ATOM 1476 CA ILE A 93 -5.499 7.102 -4.873 1.00 25.45 C ATOM 1477 C ILE A 93 -5.220 7.792 -3.550 1.00 44.20 C ATOM 1478 O ILE A 93 -5.831 8.825 -3.257 1.00 1.44 O ATOM 1479 CB ILE A 93 -4.992 7.893 -6.098 1.00 12.24 C ATOM 1480 CG1 ILE A 93 -5.413 7.177 -7.403 1.00 25.22 C ATOM 1481 CG2 ILE A 93 -3.470 8.133 -6.024 1.00 63.41 C ATOM 1482 CD1 ILE A 93 -5.110 7.976 -8.665 1.00 2.24 C ATOM 0 H ILE A 93 -7.430 7.858 -4.773 1.00 62.20 H new ATOM 0 HA ILE A 93 -4.974 6.148 -4.921 1.00 25.45 H new ATOM 0 HB ILE A 93 -5.456 8.879 -6.095 1.00 12.24 H new ATOM 0 HG12 ILE A 93 -4.902 6.216 -7.461 1.00 25.22 H new ATOM 0 HG13 ILE A 93 -6.482 6.968 -7.364 1.00 25.22 H new ATOM 0 HG21 ILE A 93 -3.147 8.692 -6.902 1.00 63.41 H new ATOM 0 HG22 ILE A 93 -3.235 8.702 -5.124 1.00 63.41 H new ATOM 0 HG23 ILE A 93 -2.952 7.175 -5.993 1.00 63.41 H new ATOM 0 HD11 ILE A 93 -5.433 7.411 -9.540 1.00 2.24 H new ATOM 0 HD12 ILE A 93 -5.642 8.927 -8.630 1.00 2.24 H new ATOM 0 HD13 ILE A 93 -4.038 8.163 -8.729 1.00 2.24 H new ATOM 1494 N PHE A 94 -4.360 7.192 -2.733 1.00 13.15 N ATOM 1495 CA PHE A 94 -4.028 7.639 -1.395 1.00 65.00 C ATOM 1496 C PHE A 94 -2.512 7.709 -1.317 1.00 62.24 C ATOM 1497 O PHE A 94 -1.835 6.725 -1.620 1.00 54.11 O ATOM 1498 CB PHE A 94 -4.606 6.644 -0.382 1.00 53.54 C ATOM 1499 CG PHE A 94 -4.250 6.949 1.058 1.00 73.11 C ATOM 1500 CD1 PHE A 94 -4.729 8.119 1.678 1.00 50.22 C ATOM 1501 CD2 PHE A 94 -3.410 6.075 1.772 1.00 24.13 C ATOM 1502 CE1 PHE A 94 -4.372 8.410 3.006 1.00 63.13 C ATOM 1503 CE2 PHE A 94 -3.054 6.368 3.099 1.00 33.32 C ATOM 1504 CZ PHE A 94 -3.539 7.531 3.719 1.00 32.04 C ATOM 0 H PHE A 94 -3.857 6.346 -3.002 1.00 13.15 H new ATOM 0 HA PHE A 94 -4.449 8.619 -1.168 1.00 65.00 H new ATOM 0 HB2 PHE A 94 -5.691 6.630 -0.481 1.00 53.54 H new ATOM 0 HB3 PHE A 94 -4.251 5.643 -0.629 1.00 53.54 H new ATOM 0 HD1 PHE A 94 -5.372 8.794 1.132 1.00 50.22 H new ATOM 0 HD2 PHE A 94 -3.038 5.178 1.299 1.00 24.13 H new ATOM 0 HE1 PHE A 94 -4.738 9.309 3.479 1.00 63.13 H new ATOM 0 HE2 PHE A 94 -2.406 5.697 3.644 1.00 33.32 H new ATOM 0 HZ PHE A 94 -3.272 7.750 4.742 1.00 32.04 H new ATOM 1514 N GLU A 95 -1.975 8.867 -0.951 1.00 3.44 N ATOM 1515 CA GLU A 95 -0.537 9.047 -0.827 1.00 71.13 C ATOM 1516 C GLU A 95 -0.205 9.811 0.452 1.00 61.01 C ATOM 1517 O GLU A 95 -1.056 10.497 1.031 1.00 41.44 O ATOM 1518 CB GLU A 95 0.019 9.667 -2.118 1.00 51.33 C ATOM 1519 CG GLU A 95 -0.488 11.069 -2.459 1.00 33.15 C ATOM 1520 CD GLU A 95 0.444 12.204 -2.040 1.00 51.44 C ATOM 1521 OE1 GLU A 95 1.362 12.544 -2.828 1.00 64.33 O ATOM 1522 OE2 GLU A 95 0.200 12.835 -0.993 1.00 75.40 O ATOM 0 H GLU A 95 -2.521 9.701 -0.734 1.00 3.44 H new ATOM 0 HA GLU A 95 -0.033 8.086 -0.719 1.00 71.13 H new ATOM 0 HB2 GLU A 95 1.106 9.703 -2.042 1.00 51.33 H new ATOM 0 HB3 GLU A 95 -0.220 9.003 -2.949 1.00 51.33 H new ATOM 0 HG2 GLU A 95 -0.651 11.130 -3.535 1.00 33.15 H new ATOM 0 HG3 GLU A 95 -1.456 11.217 -1.981 1.00 33.15 H new ATOM 1529 N ALA A 96 1.037 9.652 0.903 1.00 2.44 N ATOM 1530 CA ALA A 96 1.606 10.366 2.024 1.00 1.32 C ATOM 1531 C ALA A 96 3.064 10.695 1.710 1.00 20.05 C ATOM 1532 O ALA A 96 3.760 9.909 1.061 1.00 42.40 O ATOM 1533 CB ALA A 96 1.468 9.533 3.301 1.00 73.10 C ATOM 0 H ALA A 96 1.692 8.997 0.477 1.00 2.44 H new ATOM 0 HA ALA A 96 1.071 11.301 2.191 1.00 1.32 H new ATOM 0 HB1 ALA A 96 1.899 10.079 4.140 1.00 73.10 H new ATOM 0 HB2 ALA A 96 0.413 9.340 3.497 1.00 73.10 H new ATOM 0 HB3 ALA A 96 1.993 8.586 3.176 1.00 73.10 H new ATOM 1539 N GLY A 97 3.526 11.857 2.162 1.00 53.10 N ATOM 1540 CA GLY A 97 4.736 12.486 1.658 1.00 74.11 C ATOM 1541 C GLY A 97 4.899 13.885 2.229 1.00 23.05 C ATOM 1542 O GLY A 97 4.169 14.282 3.139 1.00 31.15 O ATOM 0 H GLY A 97 3.063 12.392 2.897 1.00 53.10 H new ATOM 0 HA2 GLY A 97 5.602 11.879 1.920 1.00 74.11 H new ATOM 0 HA3 GLY A 97 4.699 12.535 0.570 1.00 74.11 H new ATOM 1546 N TYR A 98 5.871 14.629 1.709 1.00 44.31 N ATOM 1547 CA TYR A 98 6.142 16.005 2.110 1.00 53.32 C ATOM 1548 C TYR A 98 5.634 16.982 1.046 1.00 1.45 C ATOM 1549 O TYR A 98 5.617 16.660 -0.143 1.00 73.21 O ATOM 1550 CB TYR A 98 7.642 16.162 2.397 1.00 20.32 C ATOM 1551 CG TYR A 98 7.980 15.815 3.832 1.00 1.54 C ATOM 1552 CD1 TYR A 98 7.637 16.736 4.834 1.00 1.14 C ATOM 1553 CD2 TYR A 98 8.549 14.575 4.183 1.00 12.25 C ATOM 1554 CE1 TYR A 98 7.807 16.414 6.187 1.00 75.02 C ATOM 1555 CE2 TYR A 98 8.753 14.252 5.539 1.00 0.52 C ATOM 1556 CZ TYR A 98 8.355 15.166 6.543 1.00 21.05 C ATOM 1557 OH TYR A 98 8.468 14.872 7.864 1.00 40.33 O ATOM 0 H TYR A 98 6.503 14.286 0.985 1.00 44.31 H new ATOM 0 HA TYR A 98 5.604 16.243 3.027 1.00 53.32 H new ATOM 0 HB2 TYR A 98 8.210 15.519 1.724 1.00 20.32 H new ATOM 0 HB3 TYR A 98 7.946 17.188 2.190 1.00 20.32 H new ATOM 0 HD1 TYR A 98 7.238 17.702 4.560 1.00 1.14 H new ATOM 0 HD2 TYR A 98 8.829 13.872 3.412 1.00 12.25 H new ATOM 0 HE1 TYR A 98 7.519 17.119 6.953 1.00 75.02 H new ATOM 0 HE2 TYR A 98 9.211 13.312 5.811 1.00 0.52 H new ATOM 0 HH TYR A 98 8.860 13.980 7.968 1.00 40.33 H new ATOM 1567 N GLU A 99 5.219 18.184 1.463 1.00 1.22 N ATOM 1568 CA GLU A 99 4.531 19.130 0.580 1.00 41.24 C ATOM 1569 C GLU A 99 5.490 19.750 -0.450 1.00 15.22 C ATOM 1570 O GLU A 99 5.072 20.191 -1.523 1.00 2.43 O ATOM 1571 CB GLU A 99 3.793 20.174 1.437 1.00 40.21 C ATOM 1572 CG GLU A 99 2.527 20.685 0.748 1.00 54.42 C ATOM 1573 CD GLU A 99 1.697 21.650 1.597 1.00 12.43 C ATOM 1574 OE1 GLU A 99 0.902 21.198 2.460 1.00 0.12 O ATOM 1575 OE2 GLU A 99 1.730 22.869 1.306 1.00 71.10 O ATOM 0 H GLU A 99 5.350 18.525 2.415 1.00 1.22 H new ATOM 0 HA GLU A 99 3.786 18.601 -0.014 1.00 41.24 H new ATOM 0 HB2 GLU A 99 3.530 19.734 2.399 1.00 40.21 H new ATOM 0 HB3 GLU A 99 4.459 21.012 1.641 1.00 40.21 H new ATOM 0 HG2 GLU A 99 2.808 21.184 -0.179 1.00 54.42 H new ATOM 0 HG3 GLU A 99 1.906 19.832 0.475 1.00 54.42 H new ATOM 1582 N GLU A 100 6.794 19.717 -0.158 1.00 53.30 N ATOM 1583 CA GLU A 100 7.868 20.199 -1.022 1.00 4.13 C ATOM 1584 C GLU A 100 8.955 19.117 -1.156 1.00 13.43 C ATOM 1585 O GLU A 100 10.146 19.420 -1.273 1.00 22.44 O ATOM 1586 CB GLU A 100 8.375 21.581 -0.546 1.00 0.13 C ATOM 1587 CG GLU A 100 7.276 22.659 -0.663 1.00 62.11 C ATOM 1588 CD GLU A 100 7.774 24.080 -0.387 1.00 3.54 C ATOM 1589 OE1 GLU A 100 8.307 24.339 0.718 1.00 62.24 O ATOM 1590 OE2 GLU A 100 7.556 24.989 -1.228 1.00 72.33 O ATOM 0 H GLU A 100 7.141 19.338 0.723 1.00 53.30 H new ATOM 0 HA GLU A 100 7.497 20.373 -2.032 1.00 4.13 H new ATOM 0 HB2 GLU A 100 8.708 21.510 0.490 1.00 0.13 H new ATOM 0 HB3 GLU A 100 9.240 21.876 -1.140 1.00 0.13 H new ATOM 0 HG2 GLU A 100 6.849 22.622 -1.665 1.00 62.11 H new ATOM 0 HG3 GLU A 100 6.473 22.423 0.035 1.00 62.11 H new ATOM 1597 N SER A 101 8.572 17.834 -1.136 1.00 32.24 N ATOM 1598 CA SER A 101 9.451 16.699 -1.419 1.00 24.45 C ATOM 1599 C SER A 101 8.633 15.492 -1.911 1.00 71.20 C ATOM 1600 O SER A 101 7.472 15.640 -2.301 1.00 42.23 O ATOM 1601 CB SER A 101 10.329 16.413 -0.184 1.00 14.24 C ATOM 1602 OG SER A 101 11.517 17.176 -0.277 1.00 44.51 O ATOM 0 H SER A 101 7.617 17.552 -0.916 1.00 32.24 H new ATOM 0 HA SER A 101 10.133 16.934 -2.236 1.00 24.45 H new ATOM 0 HB2 SER A 101 9.789 16.666 0.728 1.00 14.24 H new ATOM 0 HB3 SER A 101 10.567 15.351 -0.129 1.00 14.24 H new ATOM 0 HG SER A 101 11.307 18.068 -0.625 1.00 44.51 H new ATOM 1608 N GLU A 102 9.286 14.336 -2.025 1.00 55.41 N ATOM 1609 CA GLU A 102 8.731 13.069 -2.491 1.00 12.54 C ATOM 1610 C GLU A 102 7.642 12.530 -1.552 1.00 1.11 C ATOM 1611 O GLU A 102 7.441 13.021 -0.432 1.00 44.11 O ATOM 1612 CB GLU A 102 9.873 12.054 -2.633 1.00 60.31 C ATOM 1613 CG GLU A 102 10.094 11.503 -4.047 1.00 64.22 C ATOM 1614 CD GLU A 102 8.963 10.589 -4.522 1.00 74.24 C ATOM 1615 OE1 GLU A 102 7.873 11.117 -4.792 1.00 43.44 O ATOM 1616 OE2 GLU A 102 9.160 9.346 -4.657 1.00 1.55 O ATOM 0 H GLU A 102 10.273 14.256 -1.780 1.00 55.41 H new ATOM 0 HA GLU A 102 8.253 13.235 -3.456 1.00 12.54 H new ATOM 0 HB2 GLU A 102 10.797 12.524 -2.296 1.00 60.31 H new ATOM 0 HB3 GLU A 102 9.678 11.217 -1.962 1.00 60.31 H new ATOM 0 HG2 GLU A 102 10.195 12.336 -4.743 1.00 64.22 H new ATOM 0 HG3 GLU A 102 11.033 10.951 -4.072 1.00 64.22 H new ATOM 1623 N VAL A 103 6.976 11.473 -2.015 1.00 65.24 N ATOM 1624 CA VAL A 103 6.159 10.589 -1.200 1.00 51.10 C ATOM 1625 C VAL A 103 6.984 9.488 -0.530 1.00 45.21 C ATOM 1626 O VAL A 103 8.152 9.259 -0.860 1.00 4.12 O ATOM 1627 CB VAL A 103 5.037 9.978 -2.049 1.00 34.24 C ATOM 1628 CG1 VAL A 103 4.007 11.009 -2.435 1.00 45.42 C ATOM 1629 CG2 VAL A 103 5.510 9.287 -3.338 1.00 2.53 C ATOM 0 H VAL A 103 6.994 11.204 -2.999 1.00 65.24 H new ATOM 0 HA VAL A 103 5.723 11.190 -0.402 1.00 51.10 H new ATOM 0 HB VAL A 103 4.608 9.216 -1.398 1.00 34.24 H new ATOM 0 HG11 VAL A 103 3.229 10.538 -3.036 1.00 45.42 H new ATOM 0 HG12 VAL A 103 3.563 11.435 -1.535 1.00 45.42 H new ATOM 0 HG13 VAL A 103 4.483 11.800 -3.014 1.00 45.42 H new ATOM 0 HG21 VAL A 103 4.649 8.885 -3.873 1.00 2.53 H new ATOM 0 HG22 VAL A 103 6.025 10.010 -3.971 1.00 2.53 H new ATOM 0 HG23 VAL A 103 6.192 8.475 -3.086 1.00 2.53 H new ATOM 1639 N ASP A 104 6.332 8.780 0.394 1.00 72.04 N ATOM 1640 CA ASP A 104 6.866 7.644 1.143 1.00 14.43 C ATOM 1641 C ASP A 104 5.873 6.488 1.275 1.00 1.25 C ATOM 1642 O ASP A 104 6.295 5.375 1.589 1.00 74.20 O ATOM 1643 CB ASP A 104 7.283 8.143 2.524 1.00 54.21 C ATOM 1644 CG ASP A 104 8.170 7.142 3.267 1.00 64.42 C ATOM 1645 OD1 ASP A 104 9.190 6.689 2.705 1.00 12.45 O ATOM 1646 OD2 ASP A 104 7.858 6.875 4.460 1.00 42.43 O ATOM 0 H ASP A 104 5.369 8.995 0.652 1.00 72.04 H new ATOM 0 HA ASP A 104 7.718 7.244 0.593 1.00 14.43 H new ATOM 0 HB2 ASP A 104 7.816 9.088 2.419 1.00 54.21 H new ATOM 0 HB3 ASP A 104 6.392 8.344 3.118 1.00 54.21 H new ATOM 1651 N LEU A 105 4.587 6.728 0.990 1.00 50.44 N ATOM 1652 CA LEU A 105 3.538 5.713 0.854 1.00 4.53 C ATOM 1653 C LEU A 105 2.578 6.112 -0.259 1.00 10.35 C ATOM 1654 O LEU A 105 1.969 7.178 -0.183 1.00 24.44 O ATOM 1655 CB LEU A 105 2.807 5.476 2.197 1.00 10.33 C ATOM 1656 CG LEU A 105 1.593 4.511 2.150 1.00 10.42 C ATOM 1657 CD1 LEU A 105 0.284 5.181 1.718 1.00 4.25 C ATOM 1658 CD2 LEU A 105 1.939 3.194 1.470 1.00 30.35 C ATOM 0 H LEU A 105 4.236 7.674 0.842 1.00 50.44 H new ATOM 0 HA LEU A 105 3.997 4.763 0.581 1.00 4.53 H new ATOM 0 HB2 LEU A 105 3.528 5.087 2.916 1.00 10.33 H new ATOM 0 HB3 LEU A 105 2.466 6.439 2.577 1.00 10.33 H new ATOM 0 HG LEU A 105 1.364 4.226 3.177 1.00 10.42 H new ATOM 0 HD11 LEU A 105 -0.517 4.442 1.710 1.00 4.25 H new ATOM 0 HD12 LEU A 105 0.035 5.978 2.418 1.00 4.25 H new ATOM 0 HD13 LEU A 105 0.402 5.600 0.718 1.00 4.25 H new ATOM 0 HD21 LEU A 105 1.061 2.548 1.459 1.00 30.35 H new ATOM 0 HD22 LEU A 105 2.261 3.386 0.447 1.00 30.35 H new ATOM 0 HD23 LEU A 105 2.744 2.703 2.017 1.00 30.35 H new ATOM 1670 N ARG A 106 2.436 5.280 -1.302 1.00 22.43 N ATOM 1671 CA ARG A 106 1.319 5.327 -2.239 1.00 30.13 C ATOM 1672 C ARG A 106 0.604 3.997 -2.150 1.00 22.23 C ATOM 1673 O ARG A 106 1.250 2.945 -2.135 1.00 62.04 O ATOM 1674 CB ARG A 106 1.777 5.564 -3.686 1.00 43.23 C ATOM 1675 CG ARG A 106 2.356 6.967 -3.904 1.00 53.20 C ATOM 1676 CD ARG A 106 1.599 7.735 -4.993 1.00 3.52 C ATOM 1677 NE ARG A 106 1.960 9.161 -4.997 1.00 72.43 N ATOM 1678 CZ ARG A 106 1.331 10.111 -5.698 1.00 72.12 C ATOM 1679 NH1 ARG A 106 0.502 9.800 -6.690 1.00 65.40 N ATOM 1680 NH2 ARG A 106 1.500 11.384 -5.375 1.00 22.01 N ATOM 0 H ARG A 106 3.110 4.545 -1.516 1.00 22.43 H new ATOM 0 HA ARG A 106 0.668 6.160 -1.974 1.00 30.13 H new ATOM 0 HB2 ARG A 106 2.529 4.821 -3.951 1.00 43.23 H new ATOM 0 HB3 ARG A 106 0.932 5.416 -4.359 1.00 43.23 H new ATOM 0 HG2 ARG A 106 2.314 7.526 -2.969 1.00 53.20 H new ATOM 0 HG3 ARG A 106 3.407 6.887 -4.180 1.00 53.20 H new ATOM 0 HD2 ARG A 106 1.821 7.300 -5.967 1.00 3.52 H new ATOM 0 HD3 ARG A 106 0.526 7.631 -4.834 1.00 3.52 H new ATOM 0 HE ARG A 106 2.751 9.448 -4.421 1.00 72.43 H new ATOM 0 HH11 ARG A 106 0.336 8.822 -6.928 1.00 65.40 H new ATOM 0 HH12 ARG A 106 0.032 10.539 -7.213 1.00 65.40 H new ATOM 0 HH21 ARG A 106 2.107 11.636 -4.595 1.00 22.01 H new ATOM 0 HH22 ARG A 106 1.023 12.113 -5.906 1.00 22.01 H new ATOM 1694 N VAL A 107 -0.722 4.048 -2.100 1.00 13.33 N ATOM 1695 CA VAL A 107 -1.572 2.887 -2.276 1.00 50.52 C ATOM 1696 C VAL A 107 -2.717 3.351 -3.166 1.00 30.45 C ATOM 1697 O VAL A 107 -3.283 4.431 -2.962 1.00 33.32 O ATOM 1698 CB VAL A 107 -2.063 2.324 -0.924 1.00 45.50 C ATOM 1699 CG1 VAL A 107 -2.728 0.956 -1.145 1.00 4.44 C ATOM 1700 CG2 VAL A 107 -0.920 2.125 0.081 1.00 63.01 C ATOM 0 H VAL A 107 -1.240 4.911 -1.934 1.00 13.33 H new ATOM 0 HA VAL A 107 -1.032 2.059 -2.736 1.00 50.52 H new ATOM 0 HB VAL A 107 -2.764 3.053 -0.518 1.00 45.50 H new ATOM 0 HG11 VAL A 107 -3.074 0.561 -0.190 1.00 4.44 H new ATOM 0 HG12 VAL A 107 -3.577 1.069 -1.819 1.00 4.44 H new ATOM 0 HG13 VAL A 107 -2.006 0.267 -1.583 1.00 4.44 H new ATOM 0 HG21 VAL A 107 -1.321 1.728 1.014 1.00 63.01 H new ATOM 0 HG22 VAL A 107 -0.193 1.424 -0.329 1.00 63.01 H new ATOM 0 HG23 VAL A 107 -0.434 3.081 0.273 1.00 63.01 H new ATOM 1710 N GLU A 108 -3.070 2.539 -4.155 1.00 44.22 N ATOM 1711 CA GLU A 108 -4.168 2.832 -5.052 1.00 14.54 C ATOM 1712 C GLU A 108 -5.112 1.651 -5.084 1.00 41.11 C ATOM 1713 O GLU A 108 -4.706 0.512 -4.844 1.00 44.10 O ATOM 1714 CB GLU A 108 -3.673 3.119 -6.466 1.00 25.05 C ATOM 1715 CG GLU A 108 -2.795 4.369 -6.554 1.00 65.44 C ATOM 1716 CD GLU A 108 -2.620 4.852 -7.998 1.00 11.22 C ATOM 1717 OE1 GLU A 108 -3.108 4.192 -8.938 1.00 34.14 O ATOM 1718 OE2 GLU A 108 -2.051 5.949 -8.210 1.00 13.33 O ATOM 0 H GLU A 108 -2.598 1.657 -4.354 1.00 44.22 H new ATOM 0 HA GLU A 108 -4.681 3.721 -4.685 1.00 14.54 H new ATOM 0 HB2 GLU A 108 -3.108 2.260 -6.828 1.00 25.05 H new ATOM 0 HB3 GLU A 108 -4.531 3.238 -7.127 1.00 25.05 H new ATOM 0 HG2 GLU A 108 -3.239 5.166 -5.957 1.00 65.44 H new ATOM 0 HG3 GLU A 108 -1.817 4.155 -6.123 1.00 65.44 H new ATOM 1725 N PHE A 109 -6.370 1.920 -5.413 1.00 14.21 N ATOM 1726 CA PHE A 109 -7.440 0.950 -5.363 1.00 42.30 C ATOM 1727 C PHE A 109 -8.343 1.187 -6.566 1.00 62.13 C ATOM 1728 O PHE A 109 -8.808 2.313 -6.770 1.00 23.12 O ATOM 1729 CB PHE A 109 -8.227 1.133 -4.059 1.00 71.12 C ATOM 1730 CG PHE A 109 -7.399 1.264 -2.793 1.00 14.53 C ATOM 1731 CD1 PHE A 109 -6.880 0.118 -2.165 1.00 70.03 C ATOM 1732 CD2 PHE A 109 -7.173 2.534 -2.223 1.00 14.13 C ATOM 1733 CE1 PHE A 109 -6.194 0.239 -0.944 1.00 25.13 C ATOM 1734 CE2 PHE A 109 -6.471 2.653 -1.010 1.00 54.51 C ATOM 1735 CZ PHE A 109 -5.996 1.501 -0.362 1.00 2.52 C ATOM 0 H PHE A 109 -6.674 2.841 -5.728 1.00 14.21 H new ATOM 0 HA PHE A 109 -7.047 -0.066 -5.390 1.00 42.30 H new ATOM 0 HB2 PHE A 109 -8.849 2.023 -4.156 1.00 71.12 H new ATOM 0 HB3 PHE A 109 -8.900 0.284 -3.942 1.00 71.12 H new ATOM 0 HD1 PHE A 109 -7.008 -0.853 -2.620 1.00 70.03 H new ATOM 0 HD2 PHE A 109 -7.541 3.419 -2.720 1.00 14.13 H new ATOM 0 HE1 PHE A 109 -5.817 -0.645 -0.451 1.00 25.13 H new ATOM 0 HE2 PHE A 109 -6.298 3.628 -0.578 1.00 54.51 H new ATOM 0 HZ PHE A 109 -5.479 1.586 0.583 1.00 2.52 H new ATOM 1745 N GLU A 110 -8.642 0.134 -7.324 1.00 10.45 N ATOM 1746 CA GLU A 110 -9.628 0.166 -8.397 1.00 4.23 C ATOM 1747 C GLU A 110 -10.680 -0.894 -8.117 1.00 52.44 C ATOM 1748 O GLU A 110 -10.361 -1.999 -7.667 1.00 4.13 O ATOM 1749 CB GLU A 110 -8.991 -0.107 -9.765 1.00 5.45 C ATOM 1750 CG GLU A 110 -8.247 1.112 -10.322 1.00 71.33 C ATOM 1751 CD GLU A 110 -7.645 0.838 -11.705 1.00 54.43 C ATOM 1752 OE1 GLU A 110 -7.261 -0.310 -11.995 1.00 61.10 O ATOM 1753 OE2 GLU A 110 -7.567 1.787 -12.531 1.00 31.12 O ATOM 0 H GLU A 110 -8.199 -0.777 -7.207 1.00 10.45 H new ATOM 0 HA GLU A 110 -10.071 1.161 -8.428 1.00 4.23 H new ATOM 0 HB2 GLU A 110 -8.297 -0.943 -9.678 1.00 5.45 H new ATOM 0 HB3 GLU A 110 -9.767 -0.408 -10.469 1.00 5.45 H new ATOM 0 HG2 GLU A 110 -8.933 1.956 -10.387 1.00 71.33 H new ATOM 0 HG3 GLU A 110 -7.453 1.398 -9.632 1.00 71.33 H new ATOM 1760 N LEU A 111 -11.934 -0.570 -8.424 1.00 65.04 N ATOM 1761 CA LEU A 111 -12.987 -1.561 -8.555 1.00 23.11 C ATOM 1762 C LEU A 111 -12.782 -2.269 -9.886 1.00 52.41 C ATOM 1763 O LEU A 111 -12.959 -1.657 -10.939 1.00 10.43 O ATOM 1764 CB LEU A 111 -14.376 -0.924 -8.510 1.00 4.42 C ATOM 1765 CG LEU A 111 -15.458 -2.026 -8.537 1.00 42.34 C ATOM 1766 CD1 LEU A 111 -15.914 -2.365 -7.121 1.00 3.31 C ATOM 1767 CD2 LEU A 111 -16.637 -1.617 -9.414 1.00 73.44 C ATOM 0 H LEU A 111 -12.244 0.388 -8.588 1.00 65.04 H new ATOM 0 HA LEU A 111 -12.933 -2.261 -7.721 1.00 23.11 H new ATOM 0 HB2 LEU A 111 -14.481 -0.321 -7.608 1.00 4.42 H new ATOM 0 HB3 LEU A 111 -14.506 -0.253 -9.359 1.00 4.42 H new ATOM 0 HG LEU A 111 -15.019 -2.923 -8.975 1.00 42.34 H new ATOM 0 HD11 LEU A 111 -16.676 -3.143 -7.161 1.00 3.31 H new ATOM 0 HD12 LEU A 111 -15.063 -2.720 -6.540 1.00 3.31 H new ATOM 0 HD13 LEU A 111 -16.329 -1.474 -6.649 1.00 3.31 H new ATOM 0 HD21 LEU A 111 -17.383 -2.412 -9.414 1.00 73.44 H new ATOM 0 HD22 LEU A 111 -17.082 -0.702 -9.022 1.00 73.44 H new ATOM 0 HD23 LEU A 111 -16.290 -1.445 -10.433 1.00 73.44 H new ATOM 1779 N GLN A 112 -12.429 -3.548 -9.844 1.00 2.44 N ATOM 1780 CA GLN A 112 -12.348 -4.377 -11.034 1.00 64.03 C ATOM 1781 C GLN A 112 -13.750 -4.614 -11.591 1.00 10.53 C ATOM 1782 O GLN A 112 -14.729 -4.550 -10.846 1.00 33.32 O ATOM 1783 CB GLN A 112 -11.651 -5.698 -10.700 1.00 23.25 C ATOM 1784 CG GLN A 112 -10.206 -5.461 -10.234 1.00 10.25 C ATOM 1785 CD GLN A 112 -9.354 -4.779 -11.296 1.00 22.15 C ATOM 1786 OE1 GLN A 112 -9.415 -5.147 -12.463 1.00 2.21 O ATOM 1787 NE2 GLN A 112 -8.504 -3.832 -10.936 1.00 11.53 N ATOM 0 H GLN A 112 -12.191 -4.038 -8.981 1.00 2.44 H new ATOM 0 HA GLN A 112 -11.759 -3.869 -11.798 1.00 64.03 H new ATOM 0 HB2 GLN A 112 -12.207 -6.218 -9.920 1.00 23.25 H new ATOM 0 HB3 GLN A 112 -11.652 -6.345 -11.577 1.00 23.25 H new ATOM 0 HG2 GLN A 112 -10.215 -4.849 -9.332 1.00 10.25 H new ATOM 0 HG3 GLN A 112 -9.753 -6.416 -9.967 1.00 10.25 H new ATOM 0 HE21 GLN A 112 -8.459 -3.531 -9.963 1.00 11.53 H new ATOM 0 HE22 GLN A 112 -7.894 -3.403 -11.632 1.00 11.53 H new ATOM 1796 N ALA A 113 -13.843 -4.940 -12.883 1.00 11.52 N ATOM 1797 CA ALA A 113 -15.108 -5.190 -13.582 1.00 33.11 C ATOM 1798 C ALA A 113 -15.936 -6.287 -12.895 1.00 70.21 C ATOM 1799 O ALA A 113 -17.170 -6.261 -12.897 1.00 5.22 O ATOM 1800 CB ALA A 113 -14.782 -5.589 -15.022 1.00 33.44 C ATOM 0 H ALA A 113 -13.026 -5.040 -13.485 1.00 11.52 H new ATOM 0 HA ALA A 113 -15.713 -4.283 -13.562 1.00 33.11 H new ATOM 0 HB1 ALA A 113 -15.708 -5.781 -15.565 1.00 33.44 H new ATOM 0 HB2 ALA A 113 -14.237 -4.781 -15.509 1.00 33.44 H new ATOM 0 HB3 ALA A 113 -14.169 -6.490 -15.020 1.00 33.44 H new ATOM 1806 N ASP A 114 -15.239 -7.207 -12.227 1.00 21.02 N ATOM 1807 CA ASP A 114 -15.752 -8.268 -11.380 1.00 72.30 C ATOM 1808 C ASP A 114 -16.757 -7.722 -10.369 1.00 34.31 C ATOM 1809 O ASP A 114 -17.711 -8.412 -10.006 1.00 42.31 O ATOM 1810 CB ASP A 114 -14.601 -8.895 -10.578 1.00 43.53 C ATOM 1811 CG ASP A 114 -13.402 -9.400 -11.382 1.00 21.41 C ATOM 1812 OD1 ASP A 114 -12.834 -8.642 -12.197 1.00 72.20 O ATOM 1813 OD2 ASP A 114 -12.915 -10.511 -11.055 1.00 11.54 O ATOM 0 H ASP A 114 -14.220 -7.225 -12.273 1.00 21.02 H new ATOM 0 HA ASP A 114 -16.231 -9.002 -12.028 1.00 72.30 H new ATOM 0 HB2 ASP A 114 -14.243 -8.156 -9.861 1.00 43.53 H new ATOM 0 HB3 ASP A 114 -15.002 -9.730 -10.003 1.00 43.53 H new ATOM 1818 N GLY A 115 -16.553 -6.487 -9.907 1.00 33.21 N ATOM 1819 CA GLY A 115 -17.342 -5.821 -8.892 1.00 63.30 C ATOM 1820 C GLY A 115 -16.697 -5.887 -7.511 1.00 61.11 C ATOM 1821 O GLY A 115 -17.410 -5.667 -6.534 1.00 43.54 O ATOM 0 H GLY A 115 -15.792 -5.902 -10.254 1.00 33.21 H new ATOM 0 HA2 GLY A 115 -17.483 -4.778 -9.173 1.00 63.30 H new ATOM 0 HA3 GLY A 115 -18.331 -6.276 -8.849 1.00 63.30 H new ATOM 1825 N LYS A 116 -15.392 -6.172 -7.401 1.00 22.04 N ATOM 1826 CA LYS A 116 -14.634 -6.104 -6.144 1.00 11.21 C ATOM 1827 C LYS A 116 -13.519 -5.078 -6.271 1.00 70.33 C ATOM 1828 O LYS A 116 -13.008 -4.856 -7.369 1.00 34.31 O ATOM 1829 CB LYS A 116 -14.033 -7.473 -5.770 1.00 52.42 C ATOM 1830 CG LYS A 116 -15.048 -8.367 -5.055 1.00 25.22 C ATOM 1831 CD LYS A 116 -14.409 -9.447 -4.162 1.00 41.21 C ATOM 1832 CE LYS A 116 -14.190 -10.790 -4.865 1.00 52.21 C ATOM 1833 NZ LYS A 116 -12.965 -10.873 -5.684 1.00 22.33 N ATOM 0 H LYS A 116 -14.824 -6.461 -8.197 1.00 22.04 H new ATOM 0 HA LYS A 116 -15.324 -5.809 -5.353 1.00 11.21 H new ATOM 0 HB2 LYS A 116 -13.681 -7.973 -6.672 1.00 52.42 H new ATOM 0 HB3 LYS A 116 -13.165 -7.325 -5.128 1.00 52.42 H new ATOM 0 HG2 LYS A 116 -15.700 -7.743 -4.444 1.00 25.22 H new ATOM 0 HG3 LYS A 116 -15.679 -8.852 -5.800 1.00 25.22 H new ATOM 0 HD2 LYS A 116 -13.450 -9.080 -3.796 1.00 41.21 H new ATOM 0 HD3 LYS A 116 -15.044 -9.605 -3.290 1.00 41.21 H new ATOM 0 HE2 LYS A 116 -14.159 -11.577 -4.111 1.00 52.21 H new ATOM 0 HE3 LYS A 116 -15.050 -10.994 -5.503 1.00 52.21 H new ATOM 0 HZ1 LYS A 116 -12.902 -11.815 -6.119 1.00 22.33 H new ATOM 0 HZ2 LYS A 116 -12.996 -10.149 -6.429 1.00 22.33 H new ATOM 0 HZ3 LYS A 116 -12.133 -10.714 -5.081 1.00 22.33 H new ATOM 1847 N TRP A 117 -13.117 -4.478 -5.152 1.00 31.22 N ATOM 1848 CA TRP A 117 -11.945 -3.611 -5.107 1.00 44.22 C ATOM 1849 C TRP A 117 -10.681 -4.453 -5.065 1.00 44.12 C ATOM 1850 O TRP A 117 -10.652 -5.489 -4.403 1.00 33.04 O ATOM 1851 CB TRP A 117 -12.016 -2.677 -3.898 1.00 10.45 C ATOM 1852 CG TRP A 117 -13.073 -1.640 -4.069 1.00 53.30 C ATOM 1853 CD1 TRP A 117 -14.380 -1.818 -3.791 1.00 13.54 C ATOM 1854 CD2 TRP A 117 -12.959 -0.318 -4.675 1.00 12.55 C ATOM 1855 NE1 TRP A 117 -15.092 -0.729 -4.258 1.00 13.24 N ATOM 1856 CE2 TRP A 117 -14.266 0.238 -4.785 1.00 22.24 C ATOM 1857 CE3 TRP A 117 -11.889 0.452 -5.180 1.00 33.41 C ATOM 1858 CZ2 TRP A 117 -14.502 1.493 -5.363 1.00 3.11 C ATOM 1859 CZ3 TRP A 117 -12.107 1.729 -5.731 1.00 62.42 C ATOM 1860 CH2 TRP A 117 -13.409 2.252 -5.813 1.00 24.02 C ATOM 0 H TRP A 117 -13.593 -4.580 -4.256 1.00 31.22 H new ATOM 0 HA TRP A 117 -11.924 -2.996 -6.007 1.00 44.22 H new ATOM 0 HB2 TRP A 117 -12.218 -3.259 -2.999 1.00 10.45 H new ATOM 0 HB3 TRP A 117 -11.050 -2.193 -3.754 1.00 10.45 H new ATOM 0 HD1 TRP A 117 -14.803 -2.673 -3.285 1.00 13.54 H new ATOM 0 HE1 TRP A 117 -16.108 -0.651 -4.217 1.00 13.24 H new ATOM 0 HE3 TRP A 117 -10.886 0.054 -5.143 1.00 33.41 H new ATOM 0 HZ2 TRP A 117 -15.509 1.871 -5.461 1.00 3.11 H new ATOM 0 HZ3 TRP A 117 -11.271 2.309 -6.092 1.00 62.42 H new ATOM 0 HH2 TRP A 117 -13.569 3.238 -6.222 1.00 24.02 H new ATOM 1871 N TYR A 118 -9.636 -3.985 -5.743 1.00 10.51 N ATOM 1872 CA TYR A 118 -8.295 -4.542 -5.734 1.00 63.41 C ATOM 1873 C TYR A 118 -7.323 -3.385 -5.560 1.00 51.52 C ATOM 1874 O TYR A 118 -7.561 -2.290 -6.071 1.00 61.04 O ATOM 1875 CB TYR A 118 -8.003 -5.295 -7.040 1.00 51.24 C ATOM 1876 CG TYR A 118 -8.624 -6.678 -7.119 1.00 61.03 C ATOM 1877 CD1 TYR A 118 -10.020 -6.841 -7.215 1.00 62.00 C ATOM 1878 CD2 TYR A 118 -7.796 -7.815 -7.101 1.00 3.41 C ATOM 1879 CE1 TYR A 118 -10.587 -8.124 -7.252 1.00 22.15 C ATOM 1880 CE2 TYR A 118 -8.352 -9.101 -7.140 1.00 63.44 C ATOM 1881 CZ TYR A 118 -9.752 -9.257 -7.200 1.00 61.31 C ATOM 1882 OH TYR A 118 -10.296 -10.498 -7.251 1.00 71.02 O ATOM 0 H TYR A 118 -9.711 -3.164 -6.343 1.00 10.51 H new ATOM 0 HA TYR A 118 -8.192 -5.259 -4.920 1.00 63.41 H new ATOM 0 HB2 TYR A 118 -8.365 -4.699 -7.878 1.00 51.24 H new ATOM 0 HB3 TYR A 118 -6.923 -5.388 -7.158 1.00 51.24 H new ATOM 0 HD1 TYR A 118 -10.659 -5.971 -7.260 1.00 62.00 H new ATOM 0 HD2 TYR A 118 -6.723 -7.696 -7.057 1.00 3.41 H new ATOM 0 HE1 TYR A 118 -11.658 -8.242 -7.320 1.00 22.15 H new ATOM 0 HE2 TYR A 118 -7.710 -9.969 -7.124 1.00 63.44 H new ATOM 0 HH TYR A 118 -9.584 -11.170 -7.205 1.00 71.02 H new ATOM 1892 N VAL A 119 -6.238 -3.625 -4.834 1.00 50.12 N ATOM 1893 CA VAL A 119 -5.095 -2.735 -4.754 1.00 25.42 C ATOM 1894 C VAL A 119 -4.367 -2.800 -6.103 1.00 23.01 C ATOM 1895 O VAL A 119 -4.248 -3.888 -6.677 1.00 72.22 O ATOM 1896 CB VAL A 119 -4.191 -3.168 -3.580 1.00 31.43 C ATOM 1897 CG1 VAL A 119 -3.019 -2.202 -3.390 1.00 2.31 C ATOM 1898 CG2 VAL A 119 -4.945 -3.234 -2.243 1.00 31.35 C ATOM 0 H VAL A 119 -6.130 -4.468 -4.271 1.00 50.12 H new ATOM 0 HA VAL A 119 -5.395 -1.705 -4.563 1.00 25.42 H new ATOM 0 HB VAL A 119 -3.835 -4.163 -3.848 1.00 31.43 H new ATOM 0 HG11 VAL A 119 -2.403 -2.537 -2.555 1.00 2.31 H new ATOM 0 HG12 VAL A 119 -2.417 -2.177 -4.298 1.00 2.31 H new ATOM 0 HG13 VAL A 119 -3.401 -1.203 -3.181 1.00 2.31 H new ATOM 0 HG21 VAL A 119 -4.260 -3.544 -1.454 1.00 31.35 H new ATOM 0 HG22 VAL A 119 -5.351 -2.251 -2.006 1.00 31.35 H new ATOM 0 HG23 VAL A 119 -5.759 -3.954 -2.320 1.00 31.35 H new ATOM 1908 N VAL A 120 -3.887 -1.656 -6.594 1.00 30.01 N ATOM 1909 CA VAL A 120 -3.182 -1.515 -7.874 1.00 33.44 C ATOM 1910 C VAL A 120 -1.891 -0.698 -7.716 1.00 21.35 C ATOM 1911 O VAL A 120 -1.253 -0.358 -8.709 1.00 62.22 O ATOM 1912 CB VAL A 120 -4.131 -0.961 -8.968 1.00 50.33 C ATOM 1913 CG1 VAL A 120 -5.385 -1.834 -9.149 1.00 71.13 C ATOM 1914 CG2 VAL A 120 -4.595 0.481 -8.715 1.00 42.20 C ATOM 0 H VAL A 120 -3.980 -0.771 -6.096 1.00 30.01 H new ATOM 0 HA VAL A 120 -2.868 -2.503 -8.210 1.00 33.44 H new ATOM 0 HB VAL A 120 -3.524 -0.978 -9.873 1.00 50.33 H new ATOM 0 HG11 VAL A 120 -6.018 -1.405 -9.926 1.00 71.13 H new ATOM 0 HG12 VAL A 120 -5.088 -2.842 -9.439 1.00 71.13 H new ATOM 0 HG13 VAL A 120 -5.939 -1.874 -8.211 1.00 71.13 H new ATOM 0 HG21 VAL A 120 -5.255 0.798 -9.522 1.00 42.20 H new ATOM 0 HG22 VAL A 120 -5.131 0.530 -7.767 1.00 42.20 H new ATOM 0 HG23 VAL A 120 -3.728 1.141 -8.675 1.00 42.20 H new ATOM 1924 N ASP A 121 -1.481 -0.404 -6.477 1.00 42.54 N ATOM 1925 CA ASP A 121 -0.190 0.217 -6.168 1.00 30.21 C ATOM 1926 C ASP A 121 0.250 -0.161 -4.765 1.00 64.41 C ATOM 1927 O ASP A 121 -0.610 -0.375 -3.910 1.00 21.14 O ATOM 1928 CB ASP A 121 -0.227 1.746 -6.232 1.00 12.55 C ATOM 1929 CG ASP A 121 1.170 2.323 -6.496 1.00 51.13 C ATOM 1930 OD1 ASP A 121 2.029 1.637 -7.101 1.00 31.24 O ATOM 1931 OD2 ASP A 121 1.366 3.516 -6.192 1.00 50.40 O ATOM 0 H ASP A 121 -2.046 -0.594 -5.649 1.00 42.54 H new ATOM 0 HA ASP A 121 0.503 -0.150 -6.925 1.00 30.21 H new ATOM 0 HB2 ASP A 121 -0.910 2.063 -7.020 1.00 12.55 H new ATOM 0 HB3 ASP A 121 -0.616 2.143 -5.294 1.00 12.55 H new ATOM 1936 N CYS A 122 1.557 -0.230 -4.520 1.00 71.22 N ATOM 1937 CA CYS A 122 2.154 -0.469 -3.221 1.00 73.34 C ATOM 1938 C CYS A 122 3.611 0.044 -3.241 1.00 5.41 C ATOM 1939 O CYS A 122 4.549 -0.755 -3.244 1.00 70.33 O ATOM 1940 CB CYS A 122 2.048 -1.973 -2.888 1.00 2.45 C ATOM 1941 SG CYS A 122 2.050 -2.251 -1.095 1.00 73.12 S ATOM 0 H CYS A 122 2.253 -0.115 -5.257 1.00 71.22 H new ATOM 0 HA CYS A 122 1.629 0.072 -2.434 1.00 73.34 H new ATOM 0 HB2 CYS A 122 1.134 -2.380 -3.321 1.00 2.45 H new ATOM 0 HB3 CYS A 122 2.882 -2.508 -3.342 1.00 2.45 H new ATOM 0 HG CYS A 122 1.316 -3.287 -0.816 1.00 73.12 H new ATOM 1947 N TYR A 123 3.832 1.364 -3.298 1.00 53.30 N ATOM 1948 CA TYR A 123 5.141 1.964 -3.011 1.00 53.30 C ATOM 1949 C TYR A 123 5.163 2.396 -1.560 1.00 63.23 C ATOM 1950 O TYR A 123 4.384 3.257 -1.155 1.00 23.34 O ATOM 1951 CB TYR A 123 5.414 3.151 -3.921 1.00 14.43 C ATOM 1952 CG TYR A 123 6.697 3.958 -3.734 1.00 3.42 C ATOM 1953 CD1 TYR A 123 6.700 5.037 -2.838 1.00 34.32 C ATOM 1954 CD2 TYR A 123 7.824 3.760 -4.555 1.00 1.35 C ATOM 1955 CE1 TYR A 123 7.688 6.035 -2.875 1.00 11.51 C ATOM 1956 CE2 TYR A 123 8.888 4.688 -4.523 1.00 74.21 C ATOM 1957 CZ TYR A 123 8.797 5.862 -3.733 1.00 1.21 C ATOM 1958 OH TYR A 123 9.795 6.789 -3.770 1.00 41.54 O ATOM 0 H TYR A 123 3.112 2.043 -3.543 1.00 53.30 H new ATOM 0 HA TYR A 123 5.923 1.227 -3.195 1.00 53.30 H new ATOM 0 HB2 TYR A 123 5.404 2.785 -4.948 1.00 14.43 H new ATOM 0 HB3 TYR A 123 4.576 3.841 -3.820 1.00 14.43 H new ATOM 0 HD1 TYR A 123 5.918 5.103 -2.096 1.00 34.32 H new ATOM 0 HD2 TYR A 123 7.874 2.901 -5.207 1.00 1.35 H new ATOM 0 HE1 TYR A 123 7.601 6.918 -2.259 1.00 11.51 H new ATOM 0 HE2 TYR A 123 9.778 4.502 -5.105 1.00 74.21 H new ATOM 0 HH TYR A 123 9.439 7.640 -4.100 1.00 41.54 H new ATOM 1968 N THR A 124 6.067 1.814 -0.793 1.00 63.22 N ATOM 1969 CA THR A 124 6.394 2.179 0.567 1.00 51.22 C ATOM 1970 C THR A 124 7.924 2.187 0.649 1.00 52.30 C ATOM 1971 O THR A 124 8.611 1.550 -0.165 1.00 30.42 O ATOM 1972 CB THR A 124 5.671 1.218 1.546 1.00 30.34 C ATOM 1973 OG1 THR A 124 6.258 1.223 2.828 1.00 64.11 O ATOM 1974 CG2 THR A 124 5.627 -0.249 1.089 1.00 33.15 C ATOM 0 H THR A 124 6.624 1.027 -1.126 1.00 63.22 H new ATOM 0 HA THR A 124 6.044 3.169 0.859 1.00 51.22 H new ATOM 0 HB THR A 124 4.655 1.612 1.569 1.00 30.34 H new ATOM 0 HG1 THR A 124 5.771 0.606 3.413 1.00 64.11 H new ATOM 0 HG21 THR A 124 5.103 -0.847 1.835 1.00 33.15 H new ATOM 0 HG22 THR A 124 5.103 -0.318 0.136 1.00 33.15 H new ATOM 0 HG23 THR A 124 6.644 -0.624 0.972 1.00 33.15 H new ATOM 1982 N GLY A 125 8.471 2.910 1.631 1.00 64.21 N ATOM 1983 CA GLY A 125 9.892 2.876 1.959 1.00 31.25 C ATOM 1984 C GLY A 125 10.471 1.459 2.008 1.00 31.41 C ATOM 1985 O GLY A 125 11.616 1.276 1.583 1.00 54.21 O ATOM 0 H GLY A 125 7.931 3.540 2.224 1.00 64.21 H new ATOM 0 HA2 GLY A 125 10.442 3.460 1.221 1.00 31.25 H new ATOM 0 HA3 GLY A 125 10.046 3.357 2.925 1.00 31.25 H new ATOM 1989 N TRP A 126 9.697 0.441 2.402 1.00 21.34 N ATOM 1990 CA TRP A 126 10.076 -0.981 2.480 1.00 44.11 C ATOM 1991 C TRP A 126 10.858 -1.504 1.275 1.00 41.22 C ATOM 1992 O TRP A 126 11.721 -2.372 1.433 1.00 71.34 O ATOM 1993 CB TRP A 126 8.816 -1.841 2.626 1.00 71.32 C ATOM 1994 CG TRP A 126 8.411 -2.209 4.010 1.00 44.14 C ATOM 1995 CD1 TRP A 126 7.185 -2.066 4.563 1.00 50.32 C ATOM 1996 CD2 TRP A 126 9.236 -2.832 5.025 1.00 5.43 C ATOM 1997 NE1 TRP A 126 7.187 -2.611 5.834 1.00 41.12 N ATOM 1998 CE2 TRP A 126 8.434 -3.092 6.171 1.00 14.43 C ATOM 1999 CE3 TRP A 126 10.600 -3.178 5.087 1.00 2.34 C ATOM 2000 CZ2 TRP A 126 8.958 -3.725 7.304 1.00 22.15 C ATOM 2001 CZ3 TRP A 126 11.140 -3.759 6.242 1.00 53.40 C ATOM 2002 CH2 TRP A 126 10.319 -4.063 7.341 1.00 41.23 C ATOM 0 H TRP A 126 8.731 0.593 2.693 1.00 21.34 H new ATOM 0 HA TRP A 126 10.735 -1.053 3.345 1.00 44.11 H new ATOM 0 HB2 TRP A 126 7.986 -1.310 2.159 1.00 71.32 H new ATOM 0 HB3 TRP A 126 8.965 -2.760 2.060 1.00 71.32 H new ATOM 0 HD1 TRP A 126 6.336 -1.599 4.086 1.00 50.32 H new ATOM 0 HE1 TRP A 126 6.370 -2.652 6.444 1.00 41.12 H new ATOM 0 HE3 TRP A 126 11.237 -2.993 4.235 1.00 2.34 H new ATOM 0 HZ2 TRP A 126 8.319 -3.952 8.144 1.00 22.15 H new ATOM 0 HZ3 TRP A 126 12.197 -3.975 6.288 1.00 53.40 H new ATOM 0 HH2 TRP A 126 10.733 -4.554 8.209 1.00 41.23 H new ATOM 2013 N TYR A 127 10.559 -1.021 0.074 1.00 73.32 N ATOM 2014 CA TYR A 127 11.118 -1.525 -1.178 1.00 71.43 C ATOM 2015 C TYR A 127 11.651 -0.382 -2.054 1.00 10.31 C ATOM 2016 O TYR A 127 11.866 -0.581 -3.253 1.00 10.44 O ATOM 2017 CB TYR A 127 10.029 -2.334 -1.889 1.00 12.35 C ATOM 2018 CG TYR A 127 9.511 -3.548 -1.123 1.00 50.14 C ATOM 2019 CD1 TYR A 127 10.405 -4.550 -0.700 1.00 2.53 C ATOM 2020 CD2 TYR A 127 8.146 -3.663 -0.798 1.00 73.33 C ATOM 2021 CE1 TYR A 127 9.961 -5.640 0.070 1.00 2.51 C ATOM 2022 CE2 TYR A 127 7.687 -4.731 -0.009 1.00 50.54 C ATOM 2023 CZ TYR A 127 8.603 -5.706 0.444 1.00 51.42 C ATOM 2024 OH TYR A 127 8.184 -6.715 1.245 1.00 73.32 O ATOM 0 H TYR A 127 9.906 -0.249 -0.061 1.00 73.32 H new ATOM 0 HA TYR A 127 11.974 -2.168 -0.974 1.00 71.43 H new ATOM 0 HB2 TYR A 127 9.188 -1.673 -2.100 1.00 12.35 H new ATOM 0 HB3 TYR A 127 10.419 -2.671 -2.850 1.00 12.35 H new ATOM 0 HD1 TYR A 127 11.448 -4.481 -0.971 1.00 2.53 H new ATOM 0 HD2 TYR A 127 7.446 -2.924 -1.158 1.00 73.33 H new ATOM 0 HE1 TYR A 127 10.650 -6.415 0.370 1.00 2.51 H new ATOM 0 HE2 TYR A 127 6.641 -4.806 0.249 1.00 50.54 H new ATOM 0 HH TYR A 127 8.952 -7.264 1.509 1.00 73.32 H new ATOM 2034 N GLY A 128 11.812 0.810 -1.473 1.00 21.01 N ATOM 2035 CA GLY A 128 12.154 2.037 -2.169 1.00 50.14 C ATOM 2036 C GLY A 128 13.629 2.389 -2.016 1.00 21.01 C ATOM 2037 O GLY A 128 14.486 1.534 -1.752 1.00 62.20 O ATOM 0 H GLY A 128 11.702 0.944 -0.468 1.00 21.01 H new ATOM 0 HA2 GLY A 128 11.914 1.932 -3.227 1.00 50.14 H new ATOM 0 HA3 GLY A 128 11.544 2.854 -1.783 1.00 50.14 H new ATOM 2041 N TYR A 129 13.909 3.675 -2.195 1.00 11.33 N ATOM 2042 CA TYR A 129 15.224 4.273 -2.293 1.00 13.12 C ATOM 2043 C TYR A 129 15.770 4.480 -0.877 1.00 24.31 C ATOM 2044 O TYR A 129 15.606 5.542 -0.275 1.00 45.24 O ATOM 2045 CB TYR A 129 15.126 5.572 -3.113 1.00 33.41 C ATOM 2046 CG TYR A 129 14.443 5.425 -4.470 1.00 42.23 C ATOM 2047 CD1 TYR A 129 15.159 4.961 -5.592 1.00 65.01 C ATOM 2048 CD2 TYR A 129 13.089 5.789 -4.616 1.00 5.31 C ATOM 2049 CE1 TYR A 129 14.546 4.924 -6.856 1.00 11.12 C ATOM 2050 CE2 TYR A 129 12.464 5.727 -5.872 1.00 30.04 C ATOM 2051 CZ TYR A 129 13.198 5.313 -7.003 1.00 73.11 C ATOM 2052 OH TYR A 129 12.616 5.320 -8.233 1.00 42.14 O ATOM 0 H TYR A 129 13.168 4.370 -2.281 1.00 11.33 H new ATOM 0 HA TYR A 129 15.927 3.626 -2.818 1.00 13.12 H new ATOM 0 HB2 TYR A 129 14.583 6.314 -2.528 1.00 33.41 H new ATOM 0 HB3 TYR A 129 16.132 5.963 -3.269 1.00 33.41 H new ATOM 0 HD1 TYR A 129 16.182 4.633 -5.480 1.00 65.01 H new ATOM 0 HD2 TYR A 129 12.527 6.118 -3.754 1.00 5.31 H new ATOM 0 HE1 TYR A 129 15.109 4.597 -7.718 1.00 11.12 H new ATOM 0 HE2 TYR A 129 11.423 5.996 -5.972 1.00 30.04 H new ATOM 0 HH TYR A 129 11.684 5.613 -8.152 1.00 42.14 H new ATOM 2062 N ASP A 130 16.365 3.418 -0.328 1.00 61.34 N ATOM 2063 CA ASP A 130 17.384 3.499 0.726 1.00 22.11 C ATOM 2064 C ASP A 130 18.319 2.284 0.720 1.00 1.41 C ATOM 2065 O ASP A 130 19.537 2.467 0.706 1.00 74.11 O ATOM 2066 CB ASP A 130 16.776 3.677 2.123 1.00 2.54 C ATOM 2067 CG ASP A 130 17.880 3.707 3.186 1.00 51.33 C ATOM 2068 OD1 ASP A 130 18.313 2.624 3.639 1.00 63.42 O ATOM 2069 OD2 ASP A 130 18.330 4.799 3.604 1.00 5.35 O ATOM 0 H ASP A 130 16.150 2.461 -0.607 1.00 61.34 H new ATOM 0 HA ASP A 130 17.969 4.390 0.496 1.00 22.11 H new ATOM 0 HB2 ASP A 130 16.200 4.602 2.161 1.00 2.54 H new ATOM 0 HB3 ASP A 130 16.083 2.862 2.332 1.00 2.54 H new ATOM 2074 N LEU A 131 17.801 1.051 0.706 1.00 10.22 N ATOM 2075 CA LEU A 131 18.617 -0.150 0.919 1.00 10.33 C ATOM 2076 C LEU A 131 19.202 -0.666 -0.401 1.00 34.02 C ATOM 2077 O LEU A 131 18.510 -0.608 -1.423 1.00 74.41 O ATOM 2078 CB LEU A 131 17.763 -1.250 1.569 1.00 13.43 C ATOM 2079 CG LEU A 131 17.802 -1.189 3.111 1.00 12.35 C ATOM 2080 CD1 LEU A 131 16.423 -1.511 3.673 1.00 22.12 C ATOM 2081 CD2 LEU A 131 18.795 -2.192 3.697 1.00 5.53 C ATOM 0 H LEU A 131 16.812 0.858 0.548 1.00 10.22 H new ATOM 0 HA LEU A 131 19.443 0.115 1.579 1.00 10.33 H new ATOM 0 HB2 LEU A 131 16.732 -1.154 1.230 1.00 13.43 H new ATOM 0 HB3 LEU A 131 18.118 -2.226 1.237 1.00 13.43 H new ATOM 0 HG LEU A 131 18.114 -0.181 3.385 1.00 12.35 H new ATOM 0 HD11 LEU A 131 16.454 -1.467 4.762 1.00 22.12 H new ATOM 0 HD12 LEU A 131 15.700 -0.785 3.301 1.00 22.12 H new ATOM 0 HD13 LEU A 131 16.127 -2.512 3.359 1.00 22.12 H new ATOM 0 HD21 LEU A 131 18.791 -2.115 4.784 1.00 5.53 H new ATOM 0 HD22 LEU A 131 18.508 -3.202 3.403 1.00 5.53 H new ATOM 0 HD23 LEU A 131 19.795 -1.975 3.322 1.00 5.53 H new ATOM 2093 N PRO A 132 20.430 -1.211 -0.401 1.00 73.34 N ATOM 2094 CA PRO A 132 21.069 -1.713 -1.609 1.00 73.21 C ATOM 2095 C PRO A 132 20.495 -3.054 -2.083 1.00 74.11 C ATOM 2096 O PRO A 132 19.709 -3.726 -1.408 1.00 71.14 O ATOM 2097 CB PRO A 132 22.555 -1.844 -1.250 1.00 63.12 C ATOM 2098 CG PRO A 132 22.541 -2.088 0.256 1.00 73.24 C ATOM 2099 CD PRO A 132 21.361 -1.244 0.718 1.00 74.34 C ATOM 0 HA PRO A 132 20.897 -1.033 -2.443 1.00 73.21 H new ATOM 0 HB2 PRO A 132 23.025 -2.669 -1.785 1.00 63.12 H new ATOM 0 HB3 PRO A 132 23.110 -0.941 -1.505 1.00 63.12 H new ATOM 0 HG2 PRO A 132 22.403 -3.143 0.495 1.00 73.24 H new ATOM 0 HG3 PRO A 132 23.473 -1.774 0.726 1.00 73.24 H new ATOM 0 HD2 PRO A 132 20.893 -1.677 1.602 1.00 74.34 H new ATOM 0 HD3 PRO A 132 21.683 -0.238 0.988 1.00 74.34 H new ATOM 2107 N ILE A 133 20.941 -3.457 -3.272 1.00 3.14 N ATOM 2108 CA ILE A 133 20.452 -4.598 -4.029 1.00 41.10 C ATOM 2109 C ILE A 133 20.741 -5.973 -3.400 1.00 34.44 C ATOM 2110 O ILE A 133 20.172 -6.974 -3.848 1.00 43.40 O ATOM 2111 CB ILE A 133 20.938 -4.439 -5.487 1.00 21.23 C ATOM 2112 CG1 ILE A 133 20.149 -5.338 -6.451 1.00 2.33 C ATOM 2113 CG2 ILE A 133 22.454 -4.633 -5.640 1.00 11.41 C ATOM 2114 CD1 ILE A 133 20.117 -4.795 -7.881 1.00 73.00 C ATOM 0 H ILE A 133 21.694 -2.967 -3.755 1.00 3.14 H new ATOM 0 HA ILE A 133 19.362 -4.591 -4.010 1.00 41.10 H new ATOM 0 HB ILE A 133 20.736 -3.404 -5.762 1.00 21.23 H new ATOM 0 HG12 ILE A 133 20.592 -6.334 -6.456 1.00 2.33 H new ATOM 0 HG13 ILE A 133 19.128 -5.445 -6.086 1.00 2.33 H new ATOM 0 HG21 ILE A 133 22.733 -4.509 -6.686 1.00 11.41 H new ATOM 0 HG22 ILE A 133 22.978 -3.894 -5.035 1.00 11.41 H new ATOM 0 HG23 ILE A 133 22.728 -5.634 -5.308 1.00 11.41 H new ATOM 0 HD11 ILE A 133 19.546 -5.473 -8.515 1.00 73.00 H new ATOM 0 HD12 ILE A 133 19.648 -3.811 -7.886 1.00 73.00 H new ATOM 0 HD13 ILE A 133 21.135 -4.713 -8.262 1.00 73.00 H new ATOM 2126 N GLY A 134 21.577 -6.050 -2.366 1.00 12.54 N ATOM 2127 CA GLY A 134 21.853 -7.267 -1.611 1.00 50.10 C ATOM 2128 C GLY A 134 20.933 -7.348 -0.397 1.00 52.54 C ATOM 2129 O GLY A 134 20.138 -8.291 -0.295 1.00 45.32 O ATOM 0 H GLY A 134 22.096 -5.242 -2.022 1.00 12.54 H new ATOM 0 HA2 GLY A 134 21.707 -8.140 -2.247 1.00 50.10 H new ATOM 0 HA3 GLY A 134 22.894 -7.277 -1.290 1.00 50.10 H new ATOM 2133 N GLU A 135 20.978 -6.332 0.479 1.00 53.24 N ATOM 2134 CA GLU A 135 20.235 -6.261 1.738 1.00 63.33 C ATOM 2135 C GLU A 135 18.716 -6.332 1.588 1.00 11.42 C ATOM 2136 O GLU A 135 18.003 -6.619 2.552 1.00 30.13 O ATOM 2137 CB GLU A 135 20.625 -5.008 2.509 1.00 44.34 C ATOM 2138 CG GLU A 135 22.025 -5.117 3.100 1.00 34.21 C ATOM 2139 CD GLU A 135 22.170 -6.322 4.033 1.00 53.23 C ATOM 2140 OE1 GLU A 135 21.801 -6.220 5.223 1.00 42.54 O ATOM 2141 OE2 GLU A 135 22.616 -7.397 3.571 1.00 74.34 O ATOM 0 H GLU A 135 21.557 -5.507 0.319 1.00 53.24 H new ATOM 0 HA GLU A 135 20.518 -7.156 2.293 1.00 63.33 H new ATOM 0 HB2 GLU A 135 20.577 -4.144 1.846 1.00 44.34 H new ATOM 0 HB3 GLU A 135 19.905 -4.836 3.309 1.00 44.34 H new ATOM 0 HG2 GLU A 135 22.753 -5.196 2.292 1.00 34.21 H new ATOM 0 HG3 GLU A 135 22.257 -4.205 3.650 1.00 34.21 H new ATOM 2148 N LEU A 136 18.246 -6.256 0.346 1.00 12.51 N ATOM 2149 CA LEU A 136 16.921 -6.659 -0.080 1.00 32.41 C ATOM 2150 C LEU A 136 16.570 -8.009 0.571 1.00 3.35 C ATOM 2151 O LEU A 136 15.514 -8.135 1.199 1.00 2.54 O ATOM 2152 CB LEU A 136 17.011 -6.801 -1.617 1.00 32.43 C ATOM 2153 CG LEU A 136 15.707 -7.042 -2.403 1.00 63.12 C ATOM 2154 CD1 LEU A 136 16.014 -7.798 -3.703 1.00 21.02 C ATOM 2155 CD2 LEU A 136 14.620 -7.816 -1.683 1.00 51.42 C ATOM 0 H LEU A 136 18.810 -5.894 -0.423 1.00 12.51 H new ATOM 0 HA LEU A 136 16.150 -5.944 0.207 1.00 32.41 H new ATOM 0 HB2 LEU A 136 17.473 -5.895 -2.009 1.00 32.43 H new ATOM 0 HB3 LEU A 136 17.689 -7.626 -1.836 1.00 32.43 H new ATOM 0 HG LEU A 136 15.317 -6.038 -2.566 1.00 63.12 H new ATOM 0 HD11 LEU A 136 15.088 -7.965 -4.254 1.00 21.02 H new ATOM 0 HD12 LEU A 136 16.698 -7.209 -4.314 1.00 21.02 H new ATOM 0 HD13 LEU A 136 16.474 -8.758 -3.466 1.00 21.02 H new ATOM 0 HD21 LEU A 136 13.754 -7.921 -2.337 1.00 51.42 H new ATOM 0 HD22 LEU A 136 14.994 -8.804 -1.414 1.00 51.42 H new ATOM 0 HD23 LEU A 136 14.329 -7.280 -0.779 1.00 51.42 H new ATOM 2167 N LYS A 137 17.442 -9.013 0.464 1.00 61.13 N ATOM 2168 CA LYS A 137 17.209 -10.349 1.009 1.00 34.11 C ATOM 2169 C LYS A 137 16.853 -10.290 2.487 1.00 3.35 C ATOM 2170 O LYS A 137 15.877 -10.923 2.895 1.00 14.44 O ATOM 2171 CB LYS A 137 18.470 -11.209 0.809 1.00 3.31 C ATOM 2172 CG LYS A 137 18.709 -11.650 -0.646 1.00 72.40 C ATOM 2173 CD LYS A 137 18.179 -13.064 -0.927 1.00 4.24 C ATOM 2174 CE LYS A 137 16.661 -13.163 -0.748 1.00 34.15 C ATOM 2175 NZ LYS A 137 16.178 -14.558 -0.747 1.00 23.41 N ATOM 0 H LYS A 137 18.340 -8.919 -0.010 1.00 61.13 H new ATOM 0 HA LYS A 137 16.367 -10.795 0.479 1.00 34.11 H new ATOM 0 HB2 LYS A 137 19.338 -10.647 1.154 1.00 3.31 H new ATOM 0 HB3 LYS A 137 18.395 -12.096 1.438 1.00 3.31 H new ATOM 0 HG2 LYS A 137 18.225 -10.944 -1.320 1.00 72.40 H new ATOM 0 HG3 LYS A 137 19.777 -11.616 -0.862 1.00 72.40 H new ATOM 0 HD2 LYS A 137 18.442 -13.352 -1.945 1.00 4.24 H new ATOM 0 HD3 LYS A 137 18.668 -13.772 -0.258 1.00 4.24 H new ATOM 0 HE2 LYS A 137 16.378 -12.684 0.189 1.00 34.15 H new ATOM 0 HE3 LYS A 137 16.168 -12.613 -1.549 1.00 34.15 H new ATOM 0 HZ1 LYS A 137 15.145 -14.568 -0.623 1.00 23.41 H new ATOM 0 HZ2 LYS A 137 16.422 -15.011 -1.651 1.00 23.41 H new ATOM 0 HZ3 LYS A 137 16.625 -15.080 0.034 1.00 23.41 H new ATOM 2189 N GLN A 138 17.629 -9.541 3.268 1.00 33.41 N ATOM 2190 CA GLN A 138 17.424 -9.374 4.696 1.00 45.20 C ATOM 2191 C GLN A 138 16.051 -8.748 4.951 1.00 10.41 C ATOM 2192 O GLN A 138 15.270 -9.268 5.749 1.00 64.00 O ATOM 2193 CB GLN A 138 18.586 -8.534 5.260 1.00 23.33 C ATOM 2194 CG GLN A 138 18.720 -8.611 6.786 1.00 24.23 C ATOM 2195 CD GLN A 138 19.019 -10.040 7.221 1.00 44.51 C ATOM 2196 OE1 GLN A 138 19.942 -10.663 6.697 1.00 50.12 O ATOM 2197 NE2 GLN A 138 18.193 -10.641 8.055 1.00 1.43 N ATOM 0 H GLN A 138 18.434 -9.024 2.913 1.00 33.41 H new ATOM 0 HA GLN A 138 17.426 -10.334 5.212 1.00 45.20 H new ATOM 0 HB2 GLN A 138 19.518 -8.869 4.805 1.00 23.33 H new ATOM 0 HB3 GLN A 138 18.445 -7.493 4.969 1.00 23.33 H new ATOM 0 HG2 GLN A 138 19.517 -7.948 7.121 1.00 24.23 H new ATOM 0 HG3 GLN A 138 17.799 -8.266 7.256 1.00 24.23 H new ATOM 0 HE21 GLN A 138 17.431 -10.117 8.485 1.00 1.43 H new ATOM 0 HE22 GLN A 138 18.316 -11.630 8.271 1.00 1.43 H new ATOM 2206 N THR A 139 15.721 -7.680 4.227 1.00 24.42 N ATOM 2207 CA THR A 139 14.453 -6.974 4.329 1.00 54.44 C ATOM 2208 C THR A 139 13.250 -7.888 4.034 1.00 43.43 C ATOM 2209 O THR A 139 12.241 -7.787 4.721 1.00 34.45 O ATOM 2210 CB THR A 139 14.546 -5.757 3.394 1.00 34.03 C ATOM 2211 OG1 THR A 139 15.654 -4.979 3.794 1.00 11.11 O ATOM 2212 CG2 THR A 139 13.314 -4.859 3.390 1.00 44.54 C ATOM 0 H THR A 139 16.349 -7.273 3.534 1.00 24.42 H new ATOM 0 HA THR A 139 14.276 -6.636 5.350 1.00 54.44 H new ATOM 0 HB THR A 139 14.641 -6.153 2.383 1.00 34.03 H new ATOM 0 HG1 THR A 139 16.465 -5.317 3.360 1.00 11.11 H new ATOM 0 HG21 THR A 139 13.472 -4.028 2.702 1.00 44.54 H new ATOM 0 HG22 THR A 139 12.445 -5.435 3.071 1.00 44.54 H new ATOM 0 HG23 THR A 139 13.143 -4.471 4.394 1.00 44.54 H new ATOM 2220 N ILE A 140 13.324 -8.822 3.075 1.00 23.05 N ATOM 2221 CA ILE A 140 12.200 -9.727 2.792 1.00 10.41 C ATOM 2222 C ILE A 140 11.963 -10.617 4.026 1.00 61.21 C ATOM 2223 O ILE A 140 10.816 -10.940 4.340 1.00 51.11 O ATOM 2224 CB ILE A 140 12.409 -10.570 1.500 1.00 71.33 C ATOM 2225 CG1 ILE A 140 12.615 -9.735 0.214 1.00 25.44 C ATOM 2226 CG2 ILE A 140 11.180 -11.449 1.225 1.00 71.01 C ATOM 2227 CD1 ILE A 140 12.893 -10.588 -1.047 1.00 23.05 C ATOM 0 H ILE A 140 14.144 -8.970 2.486 1.00 23.05 H new ATOM 0 HA ILE A 140 11.312 -9.126 2.597 1.00 10.41 H new ATOM 0 HB ILE A 140 13.313 -11.144 1.703 1.00 71.33 H new ATOM 0 HG12 ILE A 140 11.727 -9.126 0.041 1.00 25.44 H new ATOM 0 HG13 ILE A 140 13.447 -9.048 0.367 1.00 25.44 H new ATOM 0 HG21 ILE A 140 11.344 -12.031 0.318 1.00 71.01 H new ATOM 0 HG22 ILE A 140 11.020 -12.124 2.066 1.00 71.01 H new ATOM 0 HG23 ILE A 140 10.302 -10.816 1.096 1.00 71.01 H new ATOM 0 HD11 ILE A 140 13.026 -9.932 -1.908 1.00 23.05 H new ATOM 0 HD12 ILE A 140 13.798 -11.177 -0.896 1.00 23.05 H new ATOM 0 HD13 ILE A 140 12.051 -11.256 -1.227 1.00 23.05 H new ATOM 2239 N GLN A 141 13.025 -11.033 4.727 1.00 1.43 N ATOM 2240 CA GLN A 141 12.884 -11.826 5.945 1.00 31.44 C ATOM 2241 C GLN A 141 12.133 -10.992 6.973 1.00 42.20 C ATOM 2242 O GLN A 141 11.095 -11.422 7.479 1.00 45.22 O ATOM 2243 CB GLN A 141 14.242 -12.350 6.473 1.00 50.13 C ATOM 2244 CG GLN A 141 15.215 -12.897 5.401 1.00 73.00 C ATOM 2245 CD GLN A 141 15.702 -14.335 5.601 1.00 33.42 C ATOM 2246 OE1 GLN A 141 15.729 -14.884 6.697 1.00 23.11 O ATOM 2247 NE2 GLN A 141 16.106 -15.010 4.538 1.00 73.00 N ATOM 0 H GLN A 141 13.991 -10.831 4.468 1.00 1.43 H new ATOM 0 HA GLN A 141 12.310 -12.726 5.727 1.00 31.44 H new ATOM 0 HB2 GLN A 141 14.739 -11.541 7.009 1.00 50.13 H new ATOM 0 HB3 GLN A 141 14.048 -13.141 7.198 1.00 50.13 H new ATOM 0 HG2 GLN A 141 14.725 -12.833 4.429 1.00 73.00 H new ATOM 0 HG3 GLN A 141 16.086 -12.243 5.363 1.00 73.00 H new ATOM 0 HE21 GLN A 141 16.091 -14.570 3.618 1.00 73.00 H new ATOM 0 HE22 GLN A 141 16.433 -15.971 4.638 1.00 73.00 H new ATOM 2256 N ASN A 142 12.618 -9.767 7.174 1.00 70.34 N ATOM 2257 CA ASN A 142 12.111 -8.872 8.215 1.00 43.33 C ATOM 2258 C ASN A 142 10.627 -8.574 8.034 1.00 31.15 C ATOM 2259 O ASN A 142 9.883 -8.567 9.009 1.00 2.35 O ATOM 2260 CB ASN A 142 12.858 -7.536 8.232 1.00 53.44 C ATOM 2261 CG ASN A 142 14.182 -7.553 8.970 1.00 52.21 C ATOM 2262 OD1 ASN A 142 14.306 -7.025 10.071 1.00 5.24 O ATOM 2263 ND2 ASN A 142 15.221 -8.095 8.373 1.00 14.13 N ATOM 0 H ASN A 142 13.374 -9.366 6.619 1.00 70.34 H new ATOM 0 HA ASN A 142 12.271 -9.397 9.157 1.00 43.33 H new ATOM 0 HB2 ASN A 142 13.036 -7.223 7.203 1.00 53.44 H new ATOM 0 HB3 ASN A 142 12.215 -6.783 8.687 1.00 53.44 H new ATOM 0 HD21 ASN A 142 16.135 -8.078 8.825 1.00 14.13 H new ATOM 0 HD22 ASN A 142 15.113 -8.533 7.458 1.00 14.13 H new ATOM 2270 N VAL A 143 10.183 -8.360 6.795 1.00 14.43 N ATOM 2271 CA VAL A 143 8.793 -8.049 6.483 1.00 53.33 C ATOM 2272 C VAL A 143 7.869 -9.179 6.919 1.00 24.34 C ATOM 2273 O VAL A 143 6.734 -8.934 7.303 1.00 2.45 O ATOM 2274 CB VAL A 143 8.664 -7.756 4.974 1.00 5.11 C ATOM 2275 CG1 VAL A 143 7.216 -7.781 4.462 1.00 45.53 C ATOM 2276 CG2 VAL A 143 9.269 -6.391 4.633 1.00 50.51 C ATOM 0 H VAL A 143 10.787 -8.399 5.974 1.00 14.43 H new ATOM 0 HA VAL A 143 8.488 -7.162 7.037 1.00 53.33 H new ATOM 0 HB VAL A 143 9.208 -8.560 4.479 1.00 5.11 H new ATOM 0 HG11 VAL A 143 7.204 -7.566 3.393 1.00 45.53 H new ATOM 0 HG12 VAL A 143 6.784 -8.766 4.639 1.00 45.53 H new ATOM 0 HG13 VAL A 143 6.630 -7.028 4.990 1.00 45.53 H new ATOM 0 HG21 VAL A 143 9.167 -6.205 3.564 1.00 50.51 H new ATOM 0 HG22 VAL A 143 8.746 -5.612 5.188 1.00 50.51 H new ATOM 0 HG23 VAL A 143 10.325 -6.383 4.904 1.00 50.51 H new ATOM 2286 N LYS A 144 8.296 -10.437 6.850 1.00 73.33 N ATOM 2287 CA LYS A 144 7.429 -11.483 7.371 1.00 12.51 C ATOM 2288 C LYS A 144 7.327 -11.378 8.888 1.00 41.23 C ATOM 2289 O LYS A 144 6.270 -11.671 9.423 1.00 30.44 O ATOM 2290 CB LYS A 144 8.002 -12.852 6.992 1.00 64.23 C ATOM 2291 CG LYS A 144 7.786 -13.217 5.523 1.00 21.21 C ATOM 2292 CD LYS A 144 8.648 -14.434 5.159 1.00 71.23 C ATOM 2293 CE LYS A 144 10.115 -14.039 4.920 1.00 12.12 C ATOM 2294 NZ LYS A 144 10.449 -14.100 3.487 1.00 70.10 N ATOM 0 H LYS A 144 9.187 -10.744 6.461 1.00 73.33 H new ATOM 0 HA LYS A 144 6.434 -11.366 6.941 1.00 12.51 H new ATOM 0 HB2 LYS A 144 9.070 -12.862 7.208 1.00 64.23 H new ATOM 0 HB3 LYS A 144 7.543 -13.616 7.619 1.00 64.23 H new ATOM 0 HG2 LYS A 144 6.734 -13.438 5.344 1.00 21.21 H new ATOM 0 HG3 LYS A 144 8.046 -12.371 4.886 1.00 21.21 H new ATOM 0 HD2 LYS A 144 8.595 -15.171 5.961 1.00 71.23 H new ATOM 0 HD3 LYS A 144 8.248 -14.909 4.263 1.00 71.23 H new ATOM 0 HE2 LYS A 144 10.290 -13.031 5.296 1.00 12.12 H new ATOM 0 HE3 LYS A 144 10.771 -14.706 5.479 1.00 12.12 H new ATOM 0 HZ1 LYS A 144 11.423 -13.765 3.343 1.00 70.10 H new ATOM 0 HZ2 LYS A 144 10.368 -15.082 3.153 1.00 70.10 H new ATOM 0 HZ3 LYS A 144 9.792 -13.497 2.952 1.00 70.10 H new ATOM 2308 N GLU A 145 8.385 -11.014 9.603 1.00 4.53 N ATOM 2309 CA GLU A 145 8.345 -11.024 11.059 1.00 44.50 C ATOM 2310 C GLU A 145 7.544 -9.842 11.604 1.00 43.30 C ATOM 2311 O GLU A 145 6.824 -10.005 12.588 1.00 50.52 O ATOM 2312 CB GLU A 145 9.764 -11.100 11.636 1.00 64.21 C ATOM 2313 CG GLU A 145 10.443 -12.383 11.124 1.00 71.44 C ATOM 2314 CD GLU A 145 11.675 -12.819 11.921 1.00 23.13 C ATOM 2315 OE1 GLU A 145 12.622 -12.009 12.070 1.00 11.43 O ATOM 2316 OE2 GLU A 145 11.749 -14.029 12.261 1.00 25.31 O ATOM 0 H GLU A 145 9.273 -10.711 9.203 1.00 4.53 H new ATOM 0 HA GLU A 145 7.819 -11.921 11.386 1.00 44.50 H new ATOM 0 HB2 GLU A 145 10.340 -10.224 11.337 1.00 64.21 H new ATOM 0 HB3 GLU A 145 9.728 -11.102 12.725 1.00 64.21 H new ATOM 0 HG2 GLU A 145 9.714 -13.193 11.137 1.00 71.44 H new ATOM 0 HG3 GLU A 145 10.734 -12.233 10.084 1.00 71.44 H new ATOM 2323 N GLU A 146 7.605 -8.662 10.983 1.00 50.13 N ATOM 2324 CA GLU A 146 6.692 -7.582 11.263 1.00 42.22 C ATOM 2325 C GLU A 146 5.269 -7.985 10.890 1.00 34.44 C ATOM 2326 O GLU A 146 4.382 -8.032 11.744 1.00 73.31 O ATOM 2327 CB GLU A 146 7.243 -6.307 10.639 1.00 70.33 C ATOM 2328 CG GLU A 146 7.407 -6.252 9.146 1.00 12.51 C ATOM 2329 CD GLU A 146 6.278 -5.541 8.373 1.00 44.40 C ATOM 2330 OE1 GLU A 146 5.951 -4.376 8.710 1.00 54.14 O ATOM 2331 OE2 GLU A 146 5.794 -6.111 7.378 1.00 33.13 O ATOM 0 H GLU A 146 8.299 -8.440 10.269 1.00 50.13 H new ATOM 0 HA GLU A 146 6.614 -7.361 12.328 1.00 42.22 H new ATOM 0 HB2 GLU A 146 6.589 -5.486 10.931 1.00 70.33 H new ATOM 0 HB3 GLU A 146 8.218 -6.113 11.087 1.00 70.33 H new ATOM 0 HG2 GLU A 146 8.348 -5.750 8.921 1.00 12.51 H new ATOM 0 HG3 GLU A 146 7.492 -7.272 8.771 1.00 12.51 H new ATOM 2338 N ASN A 147 5.069 -8.387 9.637 1.00 13.22 N ATOM 2339 CA ASN A 147 3.738 -8.693 9.124 1.00 25.02 C ATOM 2340 C ASN A 147 3.031 -9.824 9.861 1.00 63.30 C ATOM 2341 O ASN A 147 1.800 -9.865 9.905 1.00 33.14 O ATOM 2342 CB ASN A 147 3.754 -8.897 7.601 1.00 14.11 C ATOM 2343 CG ASN A 147 3.993 -10.233 6.937 1.00 5.34 C ATOM 2344 OD1 ASN A 147 4.025 -11.309 7.524 1.00 5.55 O ATOM 2345 ND2 ASN A 147 3.977 -10.194 5.614 1.00 22.13 N ATOM 0 H ASN A 147 5.818 -8.509 8.955 1.00 13.22 H new ATOM 0 HA ASN A 147 3.130 -7.812 9.330 1.00 25.02 H new ATOM 0 HB2 ASN A 147 2.791 -8.541 7.235 1.00 14.11 H new ATOM 0 HB3 ASN A 147 4.514 -8.221 7.210 1.00 14.11 H new ATOM 0 HD21 ASN A 147 3.991 -11.062 5.078 1.00 22.13 H new ATOM 0 HD22 ASN A 147 3.950 -9.296 5.131 1.00 22.13 H new ATOM 2352 N ALA A 148 3.775 -10.779 10.410 1.00 52.53 N ATOM 2353 CA ALA A 148 3.224 -11.929 11.112 1.00 32.23 C ATOM 2354 C ALA A 148 3.021 -11.648 12.600 1.00 21.45 C ATOM 2355 O ALA A 148 2.209 -12.332 13.231 1.00 45.30 O ATOM 2356 CB ALA A 148 4.150 -13.124 10.905 1.00 61.10 C ATOM 0 H ALA A 148 4.794 -10.774 10.378 1.00 52.53 H new ATOM 0 HA ALA A 148 2.239 -12.149 10.701 1.00 32.23 H new ATOM 0 HB1 ALA A 148 3.747 -13.992 11.427 1.00 61.10 H new ATOM 0 HB2 ALA A 148 4.227 -13.344 9.840 1.00 61.10 H new ATOM 0 HB3 ALA A 148 5.139 -12.891 11.300 1.00 61.10 H new ATOM 2362 N ALA A 149 3.718 -10.666 13.174 1.00 73.34 N ATOM 2363 CA ALA A 149 3.377 -10.126 14.481 1.00 32.01 C ATOM 2364 C ALA A 149 2.090 -9.319 14.345 1.00 10.53 C ATOM 2365 O ALA A 149 1.171 -9.552 15.126 1.00 42.22 O ATOM 2366 CB ALA A 149 4.545 -9.290 15.013 1.00 43.43 C ATOM 0 H ALA A 149 4.532 -10.227 12.743 1.00 73.34 H new ATOM 0 HA ALA A 149 3.204 -10.922 15.205 1.00 32.01 H new ATOM 0 HB1 ALA A 149 4.287 -8.886 15.992 1.00 43.43 H new ATOM 0 HB2 ALA A 149 5.431 -9.918 15.101 1.00 43.43 H new ATOM 0 HB3 ALA A 149 4.749 -8.470 14.325 1.00 43.43 H new ATOM 2372 N PHE A 150 1.962 -8.470 13.317 1.00 53.40 N ATOM 2373 CA PHE A 150 0.787 -7.624 13.152 1.00 5.54 C ATOM 2374 C PHE A 150 -0.494 -8.460 13.123 1.00 41.42 C ATOM 2375 O PHE A 150 -1.415 -8.210 13.900 1.00 62.31 O ATOM 2376 CB PHE A 150 0.910 -6.741 11.905 1.00 12.52 C ATOM 2377 CG PHE A 150 -0.380 -5.983 11.664 1.00 12.25 C ATOM 2378 CD1 PHE A 150 -0.717 -4.888 12.484 1.00 63.13 C ATOM 2379 CD2 PHE A 150 -1.318 -6.477 10.737 1.00 4.55 C ATOM 2380 CE1 PHE A 150 -1.990 -4.302 12.387 1.00 14.33 C ATOM 2381 CE2 PHE A 150 -2.585 -5.883 10.634 1.00 73.23 C ATOM 2382 CZ PHE A 150 -2.925 -4.796 11.460 1.00 22.35 C ATOM 0 H PHE A 150 2.665 -8.355 12.587 1.00 53.40 H new ATOM 0 HA PHE A 150 0.728 -6.962 14.016 1.00 5.54 H new ATOM 0 HB2 PHE A 150 1.734 -6.038 12.029 1.00 12.52 H new ATOM 0 HB3 PHE A 150 1.145 -7.357 11.037 1.00 12.52 H new ATOM 0 HD1 PHE A 150 0.004 -4.499 13.188 1.00 63.13 H new ATOM 0 HD2 PHE A 150 -1.062 -7.314 10.105 1.00 4.55 H new ATOM 0 HE1 PHE A 150 -2.251 -3.471 13.025 1.00 14.33 H new ATOM 0 HE2 PHE A 150 -3.301 -6.261 9.919 1.00 73.23 H new ATOM 0 HZ PHE A 150 -3.902 -4.342 11.382 1.00 22.35 H new ATOM 2392 N LYS A 151 -0.548 -9.495 12.274 1.00 53.33 N ATOM 2393 CA LYS A 151 -1.725 -10.364 12.191 1.00 51.21 C ATOM 2394 C LYS A 151 -2.006 -11.157 13.471 1.00 34.41 C ATOM 2395 O LYS A 151 -3.035 -11.826 13.532 1.00 23.41 O ATOM 2396 CB LYS A 151 -1.665 -11.301 10.981 1.00 22.13 C ATOM 2397 CG LYS A 151 -0.496 -12.265 11.063 1.00 50.10 C ATOM 2398 CD LYS A 151 -0.669 -13.599 10.322 1.00 21.15 C ATOM 2399 CE LYS A 151 -1.027 -13.397 8.849 1.00 14.41 C ATOM 2400 NZ LYS A 151 -2.492 -13.374 8.629 1.00 70.00 N ATOM 0 H LYS A 151 0.208 -9.749 11.638 1.00 53.33 H new ATOM 0 HA LYS A 151 -2.564 -9.681 12.061 1.00 51.21 H new ATOM 0 HB2 LYS A 151 -2.595 -11.865 10.913 1.00 22.13 H new ATOM 0 HB3 LYS A 151 -1.584 -10.710 10.069 1.00 22.13 H new ATOM 0 HG2 LYS A 151 0.389 -11.766 10.669 1.00 50.10 H new ATOM 0 HG3 LYS A 151 -0.300 -12.479 12.114 1.00 50.10 H new ATOM 0 HD2 LYS A 151 0.253 -14.176 10.395 1.00 21.15 H new ATOM 0 HD3 LYS A 151 -1.450 -14.184 10.807 1.00 21.15 H new ATOM 0 HE2 LYS A 151 -0.593 -12.461 8.496 1.00 14.41 H new ATOM 0 HE3 LYS A 151 -0.584 -14.197 8.256 1.00 14.41 H new ATOM 0 HZ1 LYS A 151 -2.764 -14.173 8.022 1.00 70.00 H new ATOM 0 HZ2 LYS A 151 -2.982 -13.451 9.543 1.00 70.00 H new ATOM 0 HZ3 LYS A 151 -2.760 -12.481 8.167 1.00 70.00 H new ATOM 2414 N GLU A 152 -1.097 -11.195 14.440 1.00 22.33 N ATOM 2415 CA GLU A 152 -1.370 -11.821 15.729 1.00 43.23 C ATOM 2416 C GLU A 152 -2.257 -10.875 16.551 1.00 44.54 C ATOM 2417 O GLU A 152 -3.171 -11.327 17.238 1.00 52.40 O ATOM 2418 CB GLU A 152 -0.038 -12.232 16.386 1.00 43.32 C ATOM 2419 CG GLU A 152 -0.044 -13.736 16.719 1.00 30.42 C ATOM 2420 CD GLU A 152 -0.578 -14.181 18.087 1.00 25.31 C ATOM 2421 OE1 GLU A 152 -1.733 -13.891 18.476 1.00 61.03 O ATOM 2422 OE2 GLU A 152 0.132 -14.985 18.737 1.00 53.14 O ATOM 0 H GLU A 152 -0.161 -10.798 14.356 1.00 22.33 H new ATOM 0 HA GLU A 152 -1.935 -12.749 15.636 1.00 43.23 H new ATOM 0 HB2 GLU A 152 0.791 -12.005 15.715 1.00 43.32 H new ATOM 0 HB3 GLU A 152 0.120 -11.652 17.296 1.00 43.32 H new ATOM 0 HG2 GLU A 152 -0.631 -14.243 15.953 1.00 30.42 H new ATOM 0 HG3 GLU A 152 0.980 -14.100 16.628 1.00 30.42 H new ATOM 2429 N ILE A 153 -2.058 -9.563 16.398 1.00 34.35 N ATOM 2430 CA ILE A 153 -2.725 -8.522 17.169 1.00 45.50 C ATOM 2431 C ILE A 153 -4.025 -8.102 16.483 1.00 44.22 C ATOM 2432 O ILE A 153 -5.073 -8.078 17.132 1.00 62.31 O ATOM 2433 CB ILE A 153 -1.762 -7.334 17.380 1.00 53.14 C ATOM 2434 CG1 ILE A 153 -0.386 -7.835 17.884 1.00 64.42 C ATOM 2435 CG2 ILE A 153 -2.380 -6.308 18.345 1.00 21.14 C ATOM 2436 CD1 ILE A 153 0.586 -6.778 18.400 1.00 4.14 C ATOM 0 H ILE A 153 -1.405 -9.189 15.710 1.00 34.35 H new ATOM 0 HA ILE A 153 -2.995 -8.907 18.152 1.00 45.50 H new ATOM 0 HB ILE A 153 -1.601 -6.835 16.424 1.00 53.14 H new ATOM 0 HG12 ILE A 153 -0.559 -8.556 18.683 1.00 64.42 H new ATOM 0 HG13 ILE A 153 0.099 -8.373 17.069 1.00 64.42 H new ATOM 0 HG21 ILE A 153 -1.689 -5.477 18.483 1.00 21.14 H new ATOM 0 HG22 ILE A 153 -3.317 -5.936 17.930 1.00 21.14 H new ATOM 0 HG23 ILE A 153 -2.573 -6.783 19.307 1.00 21.14 H new ATOM 0 HD11 ILE A 153 1.510 -7.259 18.722 1.00 4.14 H new ATOM 0 HD12 ILE A 153 0.806 -6.066 17.604 1.00 4.14 H new ATOM 0 HD13 ILE A 153 0.138 -6.252 19.243 1.00 4.14 H new ATOM 2448 N HIS A 154 -3.975 -7.768 15.191 1.00 11.45 N ATOM 2449 CA HIS A 154 -5.126 -7.319 14.417 1.00 4.21 C ATOM 2450 C HIS A 154 -5.234 -8.152 13.132 1.00 44.30 C ATOM 2451 O HIS A 154 -4.873 -7.691 12.047 1.00 14.13 O ATOM 2452 CB HIS A 154 -5.060 -5.797 14.199 1.00 51.21 C ATOM 2453 CG HIS A 154 -5.914 -5.045 15.189 1.00 25.34 C ATOM 2454 ND1 HIS A 154 -7.291 -5.059 15.211 1.00 12.05 N ATOM 2455 CD2 HIS A 154 -5.483 -4.233 16.204 1.00 21.15 C ATOM 2456 CE1 HIS A 154 -7.689 -4.265 16.216 1.00 33.12 C ATOM 2457 NE2 HIS A 154 -6.627 -3.720 16.834 1.00 52.42 N ATOM 0 H HIS A 154 -3.113 -7.804 14.646 1.00 11.45 H new ATOM 0 HA HIS A 154 -6.054 -7.488 14.963 1.00 4.21 H new ATOM 0 HB2 HIS A 154 -4.026 -5.463 14.286 1.00 51.21 H new ATOM 0 HB3 HIS A 154 -5.387 -5.562 13.186 1.00 51.21 H new ATOM 0 HD2 HIS A 154 -4.457 -4.027 16.469 1.00 21.15 H new ATOM 0 HE1 HIS A 154 -8.719 -4.088 16.490 1.00 33.12 H new ATOM 0 HE2 HIS A 154 -6.649 -3.060 17.612 1.00 52.42 H new ATOM 2465 N PRO A 155 -5.713 -9.404 13.241 1.00 51.20 N ATOM 2466 CA PRO A 155 -6.021 -10.231 12.086 1.00 30.04 C ATOM 2467 C PRO A 155 -7.249 -9.743 11.318 1.00 24.55 C ATOM 2468 O PRO A 155 -7.631 -10.465 10.366 1.00 65.43 O ATOM 2469 CB PRO A 155 -6.188 -11.654 12.620 1.00 2.25 C ATOM 2470 CG PRO A 155 -6.604 -11.453 14.072 1.00 11.11 C ATOM 2471 CD PRO A 155 -5.938 -10.140 14.478 1.00 12.41 C ATOM 0 HA PRO A 155 -5.218 -10.182 11.351 1.00 30.04 H new ATOM 0 HB2 PRO A 155 -6.944 -12.205 12.060 1.00 2.25 H new ATOM 0 HB3 PRO A 155 -5.260 -12.221 12.545 1.00 2.25 H new ATOM 0 HG2 PRO A 155 -7.688 -11.396 14.171 1.00 11.11 H new ATOM 0 HG3 PRO A 155 -6.270 -12.279 14.699 1.00 11.11 H new ATOM 0 HD2 PRO A 155 -6.574 -9.574 15.158 1.00 12.41 H new ATOM 0 HD3 PRO A 155 -4.998 -10.324 14.999 1.00 12.41 H new