USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 589 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 118 MET CE :methyl 167:sc= 0 (180deg=0) USER MOD Set 1.2: A 138 THR OG1 : rot -130:sc= 0 USER MOD Set 1.3: A 165 HIS : no HE2:sc= -1.68 X(o=-1.7,f=-1.5) USER MOD Set 2.1: A 122 CYS SG : rot -170:sc= -3.05 USER MOD Set 2.2: A 123 ASN :FLIP amide:sc=-0.00661 F(o=-4.2,f=-3.1) USER MOD Single : A 96 THR OG1 : rot 60:sc= 0.745 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -116:sc= 0.432 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 MET CE :methyl 162:sc= -4.73 (180deg=-7.24!) USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 THR OG1 : rot 82:sc= 1.21 USER MOD Single : A 141 HIS :FLIP no HD1:sc= -0.489 F(o=-1,f=-0.49) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 146 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 147 HIS :FLIP no HD1:sc= -0.0569 F(o=-0.96,f=-0.057) USER MOD Single : A 149 CYS SG : rot 76:sc= -0.0859 USER MOD Single : A 150 TYR OH : rot 0:sc= 0 USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 SER OG : rot 180:sc= 0 USER MOD Single : A 156 SER OG : rot -40:sc= 0.918 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 THR OG1 : rot 51:sc= 1.03 USER MOD Single : A 171 ASN : amide:sc= -0.0223 X(o=-0.022,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 145 N THR A 96 11.554 1.663 -8.785 1.00 22.10 N ATOM 146 CA THR A 96 11.456 1.679 -7.331 1.00 0.43 C ATOM 147 C THR A 96 10.236 2.470 -6.872 1.00 3.45 C ATOM 148 O THR A 96 10.350 3.399 -6.070 1.00 23.52 O ATOM 149 CB THR A 96 12.718 2.286 -6.688 1.00 50.14 C ATOM 150 OG1 THR A 96 12.775 3.692 -6.953 1.00 32.21 O ATOM 151 CG2 THR A 96 13.973 1.613 -7.223 1.00 33.03 C ATOM 0 HA THR A 96 11.357 0.642 -7.010 1.00 0.43 H new ATOM 0 HB THR A 96 12.666 2.122 -5.612 1.00 50.14 H new ATOM 0 HG1 THR A 96 11.978 4.127 -6.585 1.00 32.21 H new ATOM 0 HG21 THR A 96 14.852 2.057 -6.755 1.00 33.03 H new ATOM 0 HG22 THR A 96 13.940 0.548 -6.995 1.00 33.03 H new ATOM 0 HG23 THR A 96 14.028 1.751 -8.303 1.00 33.03 H new ATOM 159 N THR A 97 9.067 2.098 -7.384 1.00 25.33 N ATOM 160 CA THR A 97 7.826 2.772 -7.026 1.00 54.43 C ATOM 161 C THR A 97 6.617 1.892 -7.320 1.00 31.41 C ATOM 162 O THR A 97 6.466 1.377 -8.428 1.00 15.03 O ATOM 163 CB THR A 97 7.672 4.104 -7.785 1.00 51.33 C ATOM 164 OG1 THR A 97 8.250 3.995 -9.091 1.00 30.41 O ATOM 165 CG2 THR A 97 8.339 5.241 -7.024 1.00 42.31 C ATOM 0 H THR A 97 8.954 1.333 -8.049 1.00 25.33 H new ATOM 0 HA THR A 97 7.874 2.974 -5.956 1.00 54.43 H new ATOM 0 HB THR A 97 6.608 4.323 -7.876 1.00 51.33 H new ATOM 0 HG1 THR A 97 8.146 4.845 -9.567 1.00 30.41 H new ATOM 0 HG21 THR A 97 8.217 6.171 -7.579 1.00 42.31 H new ATOM 0 HG22 THR A 97 7.877 5.342 -6.042 1.00 42.31 H new ATOM 0 HG23 THR A 97 9.401 5.026 -6.905 1.00 42.31 H new ATOM 173 N SER A 98 5.758 1.722 -6.320 1.00 11.12 N ATOM 174 CA SER A 98 4.563 0.901 -6.470 1.00 74.32 C ATOM 175 C SER A 98 3.314 1.771 -6.570 1.00 52.23 C ATOM 176 O SER A 98 3.291 2.904 -6.088 1.00 32.01 O ATOM 177 CB SER A 98 4.431 -0.066 -5.292 1.00 10.35 C ATOM 178 OG SER A 98 3.782 -1.263 -5.683 1.00 71.10 O ATOM 0 H SER A 98 5.868 2.142 -5.397 1.00 11.12 H new ATOM 0 HA SER A 98 4.660 0.328 -7.392 1.00 74.32 H new ATOM 0 HB2 SER A 98 5.420 -0.298 -4.896 1.00 10.35 H new ATOM 0 HB3 SER A 98 3.869 0.410 -4.488 1.00 10.35 H new ATOM 0 HG SER A 98 2.934 -1.348 -5.200 1.00 71.10 H new ATOM 184 N THR A 99 2.275 1.233 -7.202 1.00 71.13 N ATOM 185 CA THR A 99 1.022 1.959 -7.367 1.00 51.42 C ATOM 186 C THR A 99 -0.171 1.011 -7.337 1.00 53.11 C ATOM 187 O THR A 99 -0.043 -0.173 -7.650 1.00 12.22 O ATOM 188 CB THR A 99 1.001 2.751 -8.689 1.00 64.33 C ATOM 189 OG1 THR A 99 1.166 1.857 -9.797 1.00 2.34 O ATOM 190 CG2 THR A 99 2.103 3.799 -8.709 1.00 42.25 C ATOM 0 H THR A 99 2.277 0.297 -7.608 1.00 71.13 H new ATOM 0 HA THR A 99 0.949 2.657 -6.533 1.00 51.42 H new ATOM 0 HB THR A 99 0.039 3.257 -8.770 1.00 64.33 H new ATOM 0 HG1 THR A 99 1.150 2.367 -10.634 1.00 2.34 H new ATOM 0 HG21 THR A 99 2.069 4.345 -9.652 1.00 42.25 H new ATOM 0 HG22 THR A 99 1.959 4.494 -7.881 1.00 42.25 H new ATOM 0 HG23 THR A 99 3.072 3.310 -8.608 1.00 42.25 H new ATOM 198 N TRP A 100 -1.330 1.539 -6.960 1.00 53.14 N ATOM 199 CA TRP A 100 -2.548 0.738 -6.891 1.00 31.25 C ATOM 200 C TRP A 100 -3.781 1.600 -7.137 1.00 23.30 C ATOM 201 O TRP A 100 -3.913 2.688 -6.576 1.00 32.24 O ATOM 202 CB TRP A 100 -2.653 0.053 -5.528 1.00 34.33 C ATOM 203 CG TRP A 100 -1.472 -0.812 -5.203 1.00 52.42 C ATOM 204 CD1 TRP A 100 -1.240 -2.082 -5.648 1.00 13.11 C ATOM 205 CD2 TRP A 100 -0.365 -0.469 -4.364 1.00 4.14 C ATOM 206 NE1 TRP A 100 -0.054 -2.549 -5.135 1.00 61.51 N ATOM 207 CE2 TRP A 100 0.502 -1.578 -4.345 1.00 44.14 C ATOM 208 CE3 TRP A 100 -0.020 0.668 -3.628 1.00 44.01 C ATOM 209 CZ2 TRP A 100 1.690 -1.582 -3.619 1.00 1.04 C ATOM 210 CZ3 TRP A 100 1.159 0.662 -2.907 1.00 14.02 C ATOM 211 CH2 TRP A 100 2.003 -0.456 -2.907 1.00 44.44 C ATOM 0 H TRP A 100 -1.453 2.517 -6.698 1.00 53.14 H new ATOM 0 HA TRP A 100 -2.499 -0.023 -7.670 1.00 31.25 H new ATOM 0 HB2 TRP A 100 -2.760 0.814 -4.755 1.00 34.33 H new ATOM 0 HB3 TRP A 100 -3.557 -0.555 -5.504 1.00 34.33 H new ATOM 0 HD1 TRP A 100 -1.892 -2.637 -6.306 1.00 13.11 H new ATOM 0 HE1 TRP A 100 0.347 -3.470 -5.314 1.00 61.51 H new ATOM 0 HE3 TRP A 100 -0.663 1.536 -3.623 1.00 44.01 H new ATOM 0 HZ2 TRP A 100 2.342 -2.443 -3.618 1.00 1.04 H new ATOM 0 HZ3 TRP A 100 1.435 1.535 -2.333 1.00 14.02 H new ATOM 0 HH2 TRP A 100 2.918 -0.429 -2.334 1.00 44.44 H new ATOM 222 N VAL A 101 -4.683 1.108 -7.980 1.00 64.45 N ATOM 223 CA VAL A 101 -5.906 1.832 -8.300 1.00 15.34 C ATOM 224 C VAL A 101 -7.134 1.102 -7.766 1.00 21.13 C ATOM 225 O VAL A 101 -7.452 -0.004 -8.205 1.00 21.01 O ATOM 226 CB VAL A 101 -6.062 2.030 -9.820 1.00 22.55 C ATOM 227 CG1 VAL A 101 -7.227 2.959 -10.122 1.00 13.24 C ATOM 228 CG2 VAL A 101 -4.771 2.565 -10.421 1.00 15.51 C ATOM 0 H VAL A 101 -4.589 0.210 -8.454 1.00 64.45 H new ATOM 0 HA VAL A 101 -5.829 2.808 -7.820 1.00 15.34 H new ATOM 0 HB VAL A 101 -6.275 1.063 -10.275 1.00 22.55 H new ATOM 0 HG11 VAL A 101 -7.321 3.086 -11.200 1.00 13.24 H new ATOM 0 HG12 VAL A 101 -8.147 2.529 -9.726 1.00 13.24 H new ATOM 0 HG13 VAL A 101 -7.049 3.928 -9.656 1.00 13.24 H new ATOM 0 HG21 VAL A 101 -4.898 2.699 -11.495 1.00 15.51 H new ATOM 0 HG22 VAL A 101 -4.526 3.523 -9.962 1.00 15.51 H new ATOM 0 HG23 VAL A 101 -3.963 1.857 -10.237 1.00 15.51 H new ATOM 238 N LEU A 102 -7.820 1.727 -6.815 1.00 1.42 N ATOM 239 CA LEU A 102 -9.014 1.137 -6.220 1.00 62.10 C ATOM 240 C LEU A 102 -10.099 2.190 -6.018 1.00 43.43 C ATOM 241 O LEU A 102 -9.805 3.351 -5.732 1.00 71.21 O ATOM 242 CB LEU A 102 -8.669 0.480 -4.882 1.00 54.23 C ATOM 243 CG LEU A 102 -8.331 1.432 -3.734 1.00 43.40 C ATOM 244 CD1 LEU A 102 -9.024 0.993 -2.454 1.00 34.04 C ATOM 245 CD2 LEU A 102 -6.825 1.505 -3.529 1.00 43.43 C ATOM 0 H LEU A 102 -7.570 2.642 -6.440 1.00 1.42 H new ATOM 0 HA LEU A 102 -9.394 0.378 -6.904 1.00 62.10 H new ATOM 0 HB2 LEU A 102 -9.512 -0.140 -4.577 1.00 54.23 H new ATOM 0 HB3 LEU A 102 -7.821 -0.187 -5.036 1.00 54.23 H new ATOM 0 HG LEU A 102 -8.692 2.427 -3.994 1.00 43.40 H new ATOM 0 HD11 LEU A 102 -8.771 1.683 -1.649 1.00 34.04 H new ATOM 0 HD12 LEU A 102 -10.103 0.993 -2.606 1.00 34.04 H new ATOM 0 HD13 LEU A 102 -8.695 -0.012 -2.188 1.00 34.04 H new ATOM 0 HD21 LEU A 102 -6.602 2.187 -2.708 1.00 43.43 H new ATOM 0 HD22 LEU A 102 -6.442 0.513 -3.291 1.00 43.43 H new ATOM 0 HD23 LEU A 102 -6.351 1.868 -4.441 1.00 43.43 H new ATOM 257 N ARG A 103 -11.353 1.777 -6.167 1.00 41.13 N ATOM 258 CA ARG A 103 -12.482 2.684 -6.001 1.00 31.43 C ATOM 259 C ARG A 103 -12.713 2.999 -4.525 1.00 65.22 C ATOM 260 O ARG A 103 -13.402 2.259 -3.822 1.00 73.21 O ATOM 261 CB ARG A 103 -13.748 2.075 -6.607 1.00 64.22 C ATOM 262 CG ARG A 103 -14.916 3.043 -6.676 1.00 11.41 C ATOM 263 CD ARG A 103 -16.087 2.450 -7.443 1.00 72.34 C ATOM 264 NE ARG A 103 -15.763 2.225 -8.849 1.00 54.25 N ATOM 265 CZ ARG A 103 -16.507 1.488 -9.667 1.00 74.14 C ATOM 266 NH1 ARG A 103 -17.613 0.909 -9.221 1.00 21.10 N ATOM 267 NH2 ARG A 103 -16.146 1.330 -10.934 1.00 1.40 N ATOM 0 H ARG A 103 -11.613 0.819 -6.403 1.00 41.13 H new ATOM 0 HA ARG A 103 -12.249 3.613 -6.522 1.00 31.43 H new ATOM 0 HB2 ARG A 103 -13.524 1.717 -7.612 1.00 64.22 H new ATOM 0 HB3 ARG A 103 -14.041 1.206 -6.017 1.00 64.22 H new ATOM 0 HG2 ARG A 103 -15.235 3.302 -5.667 1.00 11.41 H new ATOM 0 HG3 ARG A 103 -14.596 3.967 -7.157 1.00 11.41 H new ATOM 0 HD2 ARG A 103 -16.381 1.506 -6.983 1.00 72.34 H new ATOM 0 HD3 ARG A 103 -16.944 3.120 -7.371 1.00 72.34 H new ATOM 0 HE ARG A 103 -14.919 2.658 -9.224 1.00 54.25 H new ATOM 0 HH11 ARG A 103 -17.895 1.029 -8.248 1.00 21.10 H new ATOM 0 HH12 ARG A 103 -18.182 0.344 -9.851 1.00 21.10 H new ATOM 0 HH21 ARG A 103 -15.296 1.775 -11.281 1.00 1.40 H new ATOM 0 HH22 ARG A 103 -16.718 0.764 -11.561 1.00 1.40 H new ATOM 281 N LEU A 104 -12.132 4.101 -4.062 1.00 71.24 N ATOM 282 CA LEU A 104 -12.274 4.514 -2.671 1.00 70.22 C ATOM 283 C LEU A 104 -12.750 5.959 -2.578 1.00 2.40 C ATOM 284 O LEU A 104 -12.510 6.762 -3.480 1.00 74.04 O ATOM 285 CB LEU A 104 -10.944 4.355 -1.933 1.00 24.24 C ATOM 286 CG LEU A 104 -11.036 3.962 -0.458 1.00 75.34 C ATOM 287 CD1 LEU A 104 -9.977 2.926 -0.113 1.00 63.13 C ATOM 288 CD2 LEU A 104 -10.894 5.189 0.430 1.00 31.24 C ATOM 0 H LEU A 104 -11.558 4.724 -4.630 1.00 71.24 H new ATOM 0 HA LEU A 104 -13.021 3.874 -2.202 1.00 70.22 H new ATOM 0 HB2 LEU A 104 -10.351 3.602 -2.452 1.00 24.24 H new ATOM 0 HB3 LEU A 104 -10.398 5.295 -2.004 1.00 24.24 H new ATOM 0 HG LEU A 104 -12.017 3.521 -0.280 1.00 75.34 H new ATOM 0 HD11 LEU A 104 -10.059 2.659 0.941 1.00 63.13 H new ATOM 0 HD12 LEU A 104 -10.125 2.036 -0.725 1.00 63.13 H new ATOM 0 HD13 LEU A 104 -8.987 3.339 -0.307 1.00 63.13 H new ATOM 0 HD21 LEU A 104 -10.962 4.891 1.476 1.00 31.24 H new ATOM 0 HD22 LEU A 104 -9.928 5.659 0.249 1.00 31.24 H new ATOM 0 HD23 LEU A 104 -11.691 5.897 0.202 1.00 31.24 H new ATOM 300 N ASP A 105 -13.424 6.285 -1.481 1.00 2.25 N ATOM 301 CA ASP A 105 -13.930 7.636 -1.267 1.00 54.32 C ATOM 302 C ASP A 105 -14.985 7.992 -2.311 1.00 30.31 C ATOM 303 O ASP A 105 -15.327 9.159 -2.489 1.00 15.02 O ATOM 304 CB ASP A 105 -12.785 8.648 -1.317 1.00 41.24 C ATOM 305 CG ASP A 105 -12.993 9.805 -0.360 1.00 2.31 C ATOM 306 OD1 ASP A 105 -13.673 10.779 -0.746 1.00 70.20 O ATOM 307 OD2 ASP A 105 -12.474 9.739 0.774 1.00 54.00 O ATOM 0 H ASP A 105 -13.633 5.632 -0.726 1.00 2.25 H new ATOM 0 HA ASP A 105 -14.392 7.672 -0.281 1.00 54.32 H new ATOM 0 HB2 ASP A 105 -11.849 8.145 -1.076 1.00 41.24 H new ATOM 0 HB3 ASP A 105 -12.688 9.033 -2.332 1.00 41.24 H new ATOM 312 N GLY A 106 -15.496 6.974 -2.999 1.00 53.41 N ATOM 313 CA GLY A 106 -16.505 7.201 -4.017 1.00 30.53 C ATOM 314 C GLY A 106 -15.902 7.527 -5.369 1.00 0.31 C ATOM 315 O GLY A 106 -16.624 7.785 -6.331 1.00 74.54 O ATOM 0 H GLY A 106 -15.229 5.998 -2.869 1.00 53.41 H new ATOM 0 HA2 GLY A 106 -17.132 6.314 -4.107 1.00 30.53 H new ATOM 0 HA3 GLY A 106 -17.154 8.020 -3.705 1.00 30.53 H new ATOM 319 N GLU A 107 -14.575 7.517 -5.441 1.00 32.14 N ATOM 320 CA GLU A 107 -13.876 7.818 -6.685 1.00 32.23 C ATOM 321 C GLU A 107 -12.677 6.893 -6.872 1.00 64.02 C ATOM 322 O GLU A 107 -12.329 6.120 -5.978 1.00 51.42 O ATOM 323 CB GLU A 107 -13.415 9.277 -6.697 1.00 73.43 C ATOM 324 CG GLU A 107 -14.551 10.274 -6.542 1.00 5.24 C ATOM 325 CD GLU A 107 -14.226 11.627 -7.146 1.00 3.35 C ATOM 326 OE1 GLU A 107 -13.541 12.426 -6.474 1.00 11.33 O ATOM 327 OE2 GLU A 107 -14.656 11.886 -8.289 1.00 4.32 O ATOM 0 H GLU A 107 -13.963 7.304 -4.654 1.00 32.14 H new ATOM 0 HA GLU A 107 -14.570 7.657 -7.510 1.00 32.23 H new ATOM 0 HB2 GLU A 107 -12.697 9.429 -5.892 1.00 73.43 H new ATOM 0 HB3 GLU A 107 -12.892 9.477 -7.632 1.00 73.43 H new ATOM 0 HG2 GLU A 107 -15.447 9.874 -7.016 1.00 5.24 H new ATOM 0 HG3 GLU A 107 -14.779 10.398 -5.483 1.00 5.24 H new ATOM 334 N ASP A 108 -12.047 6.978 -8.039 1.00 74.31 N ATOM 335 CA ASP A 108 -10.887 6.150 -8.344 1.00 53.25 C ATOM 336 C ASP A 108 -9.687 6.563 -7.498 1.00 0.01 C ATOM 337 O ASP A 108 -8.876 7.393 -7.913 1.00 72.12 O ATOM 338 CB ASP A 108 -10.538 6.252 -9.830 1.00 32.42 C ATOM 339 CG ASP A 108 -10.924 5.005 -10.602 1.00 44.31 C ATOM 340 OD1 ASP A 108 -10.356 3.930 -10.315 1.00 41.34 O ATOM 341 OD2 ASP A 108 -11.792 5.104 -11.494 1.00 34.22 O ATOM 0 H ASP A 108 -12.321 7.613 -8.789 1.00 74.31 H new ATOM 0 HA ASP A 108 -11.137 5.116 -8.107 1.00 53.25 H new ATOM 0 HB2 ASP A 108 -11.046 7.115 -10.261 1.00 32.42 H new ATOM 0 HB3 ASP A 108 -9.467 6.426 -9.938 1.00 32.42 H new ATOM 346 N LEU A 109 -9.580 5.980 -6.309 1.00 64.02 N ATOM 347 CA LEU A 109 -8.478 6.289 -5.403 1.00 34.34 C ATOM 348 C LEU A 109 -7.158 5.756 -5.950 1.00 23.24 C ATOM 349 O LEU A 109 -7.030 4.567 -6.242 1.00 54.24 O ATOM 350 CB LEU A 109 -8.749 5.693 -4.020 1.00 63.21 C ATOM 351 CG LEU A 109 -7.995 6.333 -2.855 1.00 3.34 C ATOM 352 CD1 LEU A 109 -8.866 7.365 -2.156 1.00 73.04 C ATOM 353 CD2 LEU A 109 -7.532 5.269 -1.870 1.00 23.15 C ATOM 0 H LEU A 109 -10.242 5.292 -5.950 1.00 64.02 H new ATOM 0 HA LEU A 109 -8.402 7.373 -5.317 1.00 34.34 H new ATOM 0 HB2 LEU A 109 -9.818 5.765 -3.818 1.00 63.21 H new ATOM 0 HB3 LEU A 109 -8.501 4.632 -4.048 1.00 63.21 H new ATOM 0 HG LEU A 109 -7.116 6.840 -3.253 1.00 3.34 H new ATOM 0 HD11 LEU A 109 -8.311 7.809 -1.330 1.00 73.04 H new ATOM 0 HD12 LEU A 109 -9.147 8.144 -2.865 1.00 73.04 H new ATOM 0 HD13 LEU A 109 -9.765 6.882 -1.772 1.00 73.04 H new ATOM 0 HD21 LEU A 109 -6.997 5.743 -1.047 1.00 23.15 H new ATOM 0 HD22 LEU A 109 -8.397 4.733 -1.480 1.00 23.15 H new ATOM 0 HD23 LEU A 109 -6.870 4.567 -2.377 1.00 23.15 H new ATOM 365 N ARG A 110 -6.178 6.643 -6.082 1.00 31.25 N ATOM 366 CA ARG A 110 -4.866 6.262 -6.592 1.00 11.11 C ATOM 367 C ARG A 110 -3.831 6.245 -5.471 1.00 72.15 C ATOM 368 O ARG A 110 -3.502 7.284 -4.899 1.00 2.14 O ATOM 369 CB ARG A 110 -4.424 7.227 -7.694 1.00 43.21 C ATOM 370 CG ARG A 110 -3.471 6.605 -8.701 1.00 63.23 C ATOM 371 CD ARG A 110 -3.628 7.233 -10.077 1.00 72.14 C ATOM 372 NE ARG A 110 -4.972 7.040 -10.617 1.00 1.40 N ATOM 373 CZ ARG A 110 -5.421 7.654 -11.705 1.00 52.14 C ATOM 374 NH1 ARG A 110 -4.639 8.495 -12.368 1.00 12.04 N ATOM 375 NH2 ARG A 110 -6.657 7.427 -12.134 1.00 62.00 N ATOM 0 H ARG A 110 -6.267 7.631 -5.843 1.00 31.25 H new ATOM 0 HA ARG A 110 -4.943 5.257 -7.007 1.00 11.11 H new ATOM 0 HB2 ARG A 110 -5.306 7.594 -8.219 1.00 43.21 H new ATOM 0 HB3 ARG A 110 -3.943 8.092 -7.237 1.00 43.21 H new ATOM 0 HG2 ARG A 110 -2.444 6.730 -8.358 1.00 63.23 H new ATOM 0 HG3 ARG A 110 -3.657 5.533 -8.766 1.00 63.23 H new ATOM 0 HD2 ARG A 110 -3.412 8.300 -10.015 1.00 72.14 H new ATOM 0 HD3 ARG A 110 -2.897 6.799 -10.759 1.00 72.14 H new ATOM 0 HE ARG A 110 -5.599 6.399 -10.132 1.00 1.40 H new ATOM 0 HH11 ARG A 110 -3.689 8.672 -12.042 1.00 12.04 H new ATOM 0 HH12 ARG A 110 -4.988 8.965 -13.204 1.00 12.04 H new ATOM 0 HH21 ARG A 110 -7.262 6.781 -11.627 1.00 62.00 H new ATOM 0 HH22 ARG A 110 -7.001 7.899 -12.970 1.00 62.00 H new ATOM 389 N VAL A 111 -3.321 5.057 -5.161 1.00 52.14 N ATOM 390 CA VAL A 111 -2.323 4.904 -4.110 1.00 35.51 C ATOM 391 C VAL A 111 -0.942 4.639 -4.698 1.00 1.12 C ATOM 392 O VAL A 111 -0.798 3.890 -5.663 1.00 74.45 O ATOM 393 CB VAL A 111 -2.689 3.754 -3.152 1.00 12.14 C ATOM 394 CG1 VAL A 111 -2.456 4.168 -1.707 1.00 61.03 C ATOM 395 CG2 VAL A 111 -4.133 3.323 -3.365 1.00 33.13 C ATOM 0 H VAL A 111 -3.583 4.186 -5.623 1.00 52.14 H new ATOM 0 HA VAL A 111 -2.304 5.841 -3.553 1.00 35.51 H new ATOM 0 HB VAL A 111 -2.043 2.903 -3.370 1.00 12.14 H new ATOM 0 HG11 VAL A 111 -2.720 3.343 -1.045 1.00 61.03 H new ATOM 0 HG12 VAL A 111 -1.406 4.424 -1.567 1.00 61.03 H new ATOM 0 HG13 VAL A 111 -3.075 5.034 -1.472 1.00 61.03 H new ATOM 0 HG21 VAL A 111 -4.375 2.510 -2.680 1.00 33.13 H new ATOM 0 HG22 VAL A 111 -4.796 4.167 -3.175 1.00 33.13 H new ATOM 0 HG23 VAL A 111 -4.263 2.983 -4.392 1.00 33.13 H new ATOM 405 N VAL A 112 0.075 5.261 -4.108 1.00 72.43 N ATOM 406 CA VAL A 112 1.447 5.092 -4.571 1.00 62.24 C ATOM 407 C VAL A 112 2.403 4.892 -3.401 1.00 15.30 C ATOM 408 O VAL A 112 2.325 5.599 -2.395 1.00 60.00 O ATOM 409 CB VAL A 112 1.913 6.304 -5.400 1.00 33.00 C ATOM 410 CG1 VAL A 112 3.363 6.136 -5.824 1.00 21.20 C ATOM 411 CG2 VAL A 112 1.013 6.499 -6.611 1.00 12.00 C ATOM 0 H VAL A 112 -0.026 5.886 -3.309 1.00 72.43 H new ATOM 0 HA VAL A 112 1.460 4.203 -5.202 1.00 62.24 H new ATOM 0 HB VAL A 112 1.844 7.196 -4.777 1.00 33.00 H new ATOM 0 HG11 VAL A 112 3.674 7.002 -6.408 1.00 21.20 H new ATOM 0 HG12 VAL A 112 3.993 6.050 -4.939 1.00 21.20 H new ATOM 0 HG13 VAL A 112 3.463 5.235 -6.429 1.00 21.20 H new ATOM 0 HG21 VAL A 112 1.357 7.359 -7.185 1.00 12.00 H new ATOM 0 HG22 VAL A 112 1.048 5.608 -7.237 1.00 12.00 H new ATOM 0 HG23 VAL A 112 -0.011 6.670 -6.279 1.00 12.00 H new ATOM 421 N LEU A 113 3.303 3.925 -3.538 1.00 3.23 N ATOM 422 CA LEU A 113 4.276 3.633 -2.491 1.00 23.54 C ATOM 423 C LEU A 113 5.699 3.864 -2.989 1.00 12.40 C ATOM 424 O LEU A 113 6.268 3.023 -3.684 1.00 42.05 O ATOM 425 CB LEU A 113 4.120 2.188 -2.012 1.00 51.00 C ATOM 426 CG LEU A 113 5.190 1.683 -1.044 1.00 62.14 C ATOM 427 CD1 LEU A 113 5.586 2.778 -0.067 1.00 43.11 C ATOM 428 CD2 LEU A 113 4.696 0.453 -0.298 1.00 30.24 C ATOM 0 H LEU A 113 3.379 3.330 -4.363 1.00 3.23 H new ATOM 0 HA LEU A 113 4.089 4.309 -1.657 1.00 23.54 H new ATOM 0 HB2 LEU A 113 3.147 2.089 -1.531 1.00 51.00 H new ATOM 0 HB3 LEU A 113 4.111 1.536 -2.885 1.00 51.00 H new ATOM 0 HG LEU A 113 6.072 1.404 -1.621 1.00 62.14 H new ATOM 0 HD11 LEU A 113 6.348 2.400 0.614 1.00 43.11 H new ATOM 0 HD12 LEU A 113 5.982 3.631 -0.618 1.00 43.11 H new ATOM 0 HD13 LEU A 113 4.712 3.089 0.504 1.00 43.11 H new ATOM 0 HD21 LEU A 113 5.471 0.107 0.387 1.00 30.24 H new ATOM 0 HD22 LEU A 113 3.799 0.706 0.267 1.00 30.24 H new ATOM 0 HD23 LEU A 113 4.464 -0.337 -1.012 1.00 30.24 H new ATOM 440 N GLU A 114 6.268 5.010 -2.627 1.00 10.13 N ATOM 441 CA GLU A 114 7.625 5.351 -3.037 1.00 23.31 C ATOM 442 C GLU A 114 8.652 4.564 -2.227 1.00 2.13 C ATOM 443 O GLU A 114 8.543 4.453 -1.005 1.00 62.24 O ATOM 444 CB GLU A 114 7.870 6.853 -2.870 1.00 22.42 C ATOM 445 CG GLU A 114 8.206 7.562 -4.171 1.00 13.43 C ATOM 446 CD GLU A 114 7.214 8.658 -4.510 1.00 71.15 C ATOM 447 OE1 GLU A 114 5.995 8.397 -4.443 1.00 31.31 O ATOM 448 OE2 GLU A 114 7.658 9.776 -4.845 1.00 15.24 O ATOM 0 H GLU A 114 5.811 5.717 -2.051 1.00 10.13 H new ATOM 0 HA GLU A 114 7.737 5.087 -4.089 1.00 23.31 H new ATOM 0 HB2 GLU A 114 6.982 7.311 -2.435 1.00 22.42 H new ATOM 0 HB3 GLU A 114 8.686 7.003 -2.163 1.00 22.42 H new ATOM 0 HG2 GLU A 114 9.205 7.991 -4.099 1.00 13.43 H new ATOM 0 HG3 GLU A 114 8.229 6.834 -4.982 1.00 13.43 H new ATOM 455 N LYS A 115 9.649 4.020 -2.916 1.00 24.13 N ATOM 456 CA LYS A 115 10.697 3.244 -2.263 1.00 61.44 C ATOM 457 C LYS A 115 11.652 4.154 -1.498 1.00 53.21 C ATOM 458 O LYS A 115 12.400 3.699 -0.633 1.00 60.31 O ATOM 459 CB LYS A 115 11.473 2.426 -3.297 1.00 60.45 C ATOM 460 CG LYS A 115 10.780 1.134 -3.696 1.00 13.00 C ATOM 461 CD LYS A 115 11.733 -0.048 -3.647 1.00 64.51 C ATOM 462 CE LYS A 115 11.623 -0.905 -4.899 1.00 40.40 C ATOM 463 NZ LYS A 115 11.955 -2.331 -4.627 1.00 3.55 N ATOM 0 H LYS A 115 9.754 4.102 -3.927 1.00 24.13 H new ATOM 0 HA LYS A 115 10.223 2.566 -1.553 1.00 61.44 H new ATOM 0 HB2 LYS A 115 11.628 3.035 -4.188 1.00 60.45 H new ATOM 0 HB3 LYS A 115 12.459 2.191 -2.896 1.00 60.45 H new ATOM 0 HG2 LYS A 115 9.937 0.951 -3.029 1.00 13.00 H new ATOM 0 HG3 LYS A 115 10.374 1.234 -4.703 1.00 13.00 H new ATOM 0 HD2 LYS A 115 12.756 0.312 -3.540 1.00 64.51 H new ATOM 0 HD3 LYS A 115 11.516 -0.656 -2.769 1.00 64.51 H new ATOM 0 HE2 LYS A 115 10.611 -0.838 -5.297 1.00 40.40 H new ATOM 0 HE3 LYS A 115 12.293 -0.516 -5.665 1.00 40.40 H new ATOM 0 HZ1 LYS A 115 11.868 -2.881 -5.505 1.00 3.55 H new ATOM 0 HZ2 LYS A 115 12.930 -2.399 -4.271 1.00 3.55 H new ATOM 0 HZ3 LYS A 115 11.299 -2.710 -3.915 1.00 3.55 H new ATOM 477 N ASP A 116 11.621 5.442 -1.823 1.00 43.30 N ATOM 478 CA ASP A 116 12.483 6.418 -1.164 1.00 32.42 C ATOM 479 C ASP A 116 12.366 6.309 0.353 1.00 21.53 C ATOM 480 O ASP A 116 13.367 6.155 1.055 1.00 53.30 O ATOM 481 CB ASP A 116 12.124 7.834 -1.616 1.00 3.14 C ATOM 482 CG ASP A 116 13.343 8.639 -2.021 1.00 13.22 C ATOM 483 OD1 ASP A 116 13.837 8.440 -3.149 1.00 64.14 O ATOM 484 OD2 ASP A 116 13.802 9.469 -1.208 1.00 3.13 O ATOM 0 H ASP A 116 11.009 5.835 -2.538 1.00 43.30 H new ATOM 0 HA ASP A 116 13.514 6.206 -1.447 1.00 32.42 H new ATOM 0 HB2 ASP A 116 11.432 7.779 -2.457 1.00 3.14 H new ATOM 0 HB3 ASP A 116 11.604 8.349 -0.808 1.00 3.14 H new ATOM 489 N THR A 117 11.137 6.391 0.855 1.00 44.04 N ATOM 490 CA THR A 117 10.890 6.304 2.288 1.00 10.30 C ATOM 491 C THR A 117 9.724 5.370 2.589 1.00 32.21 C ATOM 492 O THR A 117 9.161 5.396 3.683 1.00 33.25 O ATOM 493 CB THR A 117 10.591 7.690 2.891 1.00 24.31 C ATOM 494 OG1 THR A 117 10.786 8.707 1.903 1.00 65.13 O ATOM 495 CG2 THR A 117 11.487 7.962 4.090 1.00 41.52 C ATOM 0 H THR A 117 10.298 6.518 0.289 1.00 44.04 H new ATOM 0 HA THR A 117 11.798 5.906 2.742 1.00 10.30 H new ATOM 0 HB THR A 117 9.553 7.701 3.223 1.00 24.31 H new ATOM 0 HG1 THR A 117 10.592 9.584 2.294 1.00 65.13 H new ATOM 0 HG21 THR A 117 11.258 8.946 4.499 1.00 41.52 H new ATOM 0 HG22 THR A 117 11.315 7.203 4.853 1.00 41.52 H new ATOM 0 HG23 THR A 117 12.531 7.933 3.778 1.00 41.52 H new ATOM 503 N MET A 118 9.365 4.543 1.611 1.00 1.43 N ATOM 504 CA MET A 118 8.266 3.599 1.773 1.00 61.30 C ATOM 505 C MET A 118 6.992 4.316 2.206 1.00 10.44 C ATOM 506 O MET A 118 6.129 3.729 2.858 1.00 21.11 O ATOM 507 CB MET A 118 8.636 2.526 2.799 1.00 14.23 C ATOM 508 CG MET A 118 7.809 1.256 2.674 1.00 50.00 C ATOM 509 SD MET A 118 8.336 -0.031 3.821 1.00 2.23 S ATOM 510 CE MET A 118 8.814 -1.327 2.681 1.00 3.10 C ATOM 0 H MET A 118 9.820 4.508 0.699 1.00 1.43 H new ATOM 0 HA MET A 118 8.083 3.123 0.810 1.00 61.30 H new ATOM 0 HB2 MET A 118 9.691 2.276 2.687 1.00 14.23 H new ATOM 0 HB3 MET A 118 8.510 2.935 3.802 1.00 14.23 H new ATOM 0 HG2 MET A 118 6.760 1.491 2.854 1.00 50.00 H new ATOM 0 HG3 MET A 118 7.880 0.879 1.654 1.00 50.00 H new ATOM 0 HE1 MET A 118 9.373 -2.095 3.216 1.00 3.10 H new ATOM 0 HE2 MET A 118 7.922 -1.770 2.239 1.00 3.10 H new ATOM 0 HE3 MET A 118 9.439 -0.906 1.893 1.00 3.10 H new ATOM 520 N ASP A 119 6.882 5.589 1.841 1.00 73.43 N ATOM 521 CA ASP A 119 5.712 6.386 2.192 1.00 43.14 C ATOM 522 C ASP A 119 4.558 6.109 1.232 1.00 23.24 C ATOM 523 O ASP A 119 4.772 5.793 0.062 1.00 31.25 O ATOM 524 CB ASP A 119 6.060 7.876 2.173 1.00 10.21 C ATOM 525 CG ASP A 119 6.864 8.297 3.387 1.00 43.43 C ATOM 526 OD1 ASP A 119 6.608 7.759 4.485 1.00 65.10 O ATOM 527 OD2 ASP A 119 7.750 9.164 3.239 1.00 24.05 O ATOM 0 H ASP A 119 7.588 6.091 1.303 1.00 73.43 H new ATOM 0 HA ASP A 119 5.400 6.106 3.198 1.00 43.14 H new ATOM 0 HB2 ASP A 119 6.626 8.103 1.269 1.00 10.21 H new ATOM 0 HB3 ASP A 119 5.141 8.460 2.129 1.00 10.21 H new ATOM 532 N VAL A 120 3.335 6.228 1.738 1.00 52.33 N ATOM 533 CA VAL A 120 2.146 5.991 0.926 1.00 25.23 C ATOM 534 C VAL A 120 1.467 7.303 0.548 1.00 64.11 C ATOM 535 O VAL A 120 1.196 8.143 1.405 1.00 32.44 O ATOM 536 CB VAL A 120 1.133 5.096 1.664 1.00 21.33 C ATOM 537 CG1 VAL A 120 -0.029 4.737 0.750 1.00 11.34 C ATOM 538 CG2 VAL A 120 1.815 3.841 2.190 1.00 14.44 C ATOM 0 H VAL A 120 3.141 6.487 2.705 1.00 52.33 H new ATOM 0 HA VAL A 120 2.477 5.483 0.020 1.00 25.23 H new ATOM 0 HB VAL A 120 0.737 5.651 2.514 1.00 21.33 H new ATOM 0 HG11 VAL A 120 -0.734 4.104 1.289 1.00 11.34 H new ATOM 0 HG12 VAL A 120 -0.533 5.648 0.427 1.00 11.34 H new ATOM 0 HG13 VAL A 120 0.346 4.201 -0.122 1.00 11.34 H new ATOM 0 HG21 VAL A 120 1.085 3.220 2.709 1.00 14.44 H new ATOM 0 HG22 VAL A 120 2.240 3.282 1.357 1.00 14.44 H new ATOM 0 HG23 VAL A 120 2.609 4.121 2.882 1.00 14.44 H new ATOM 548 N TRP A 121 1.198 7.471 -0.741 1.00 14.32 N ATOM 549 CA TRP A 121 0.550 8.681 -1.233 1.00 52.44 C ATOM 550 C TRP A 121 -0.846 8.374 -1.766 1.00 4.23 C ATOM 551 O TRP A 121 -1.020 7.486 -2.601 1.00 61.21 O ATOM 552 CB TRP A 121 1.396 9.327 -2.332 1.00 24.31 C ATOM 553 CG TRP A 121 1.136 10.793 -2.499 1.00 13.31 C ATOM 554 CD1 TRP A 121 0.546 11.629 -1.593 1.00 64.13 C ATOM 555 CD2 TRP A 121 1.454 11.597 -3.641 1.00 70.41 C ATOM 556 NE1 TRP A 121 0.479 12.903 -2.104 1.00 71.23 N ATOM 557 CE2 TRP A 121 1.030 12.910 -3.358 1.00 61.54 C ATOM 558 CE3 TRP A 121 2.058 11.334 -4.874 1.00 30.43 C ATOM 559 CZ2 TRP A 121 1.190 13.954 -4.265 1.00 14.04 C ATOM 560 CZ3 TRP A 121 2.216 12.372 -5.772 1.00 33.31 C ATOM 561 CH2 TRP A 121 1.784 13.669 -5.464 1.00 23.43 C ATOM 0 H TRP A 121 1.418 6.786 -1.464 1.00 14.32 H new ATOM 0 HA TRP A 121 0.456 9.376 -0.399 1.00 52.44 H new ATOM 0 HB2 TRP A 121 2.451 9.176 -2.104 1.00 24.31 H new ATOM 0 HB3 TRP A 121 1.199 8.821 -3.277 1.00 24.31 H new ATOM 0 HD1 TRP A 121 0.186 11.332 -0.619 1.00 64.13 H new ATOM 0 HE1 TRP A 121 0.083 13.713 -1.627 1.00 71.23 H new ATOM 0 HE3 TRP A 121 2.395 10.338 -5.120 1.00 30.43 H new ATOM 0 HZ2 TRP A 121 0.857 14.954 -4.030 1.00 14.04 H new ATOM 0 HZ3 TRP A 121 2.681 12.180 -6.728 1.00 33.31 H new ATOM 0 HH2 TRP A 121 1.923 14.459 -6.187 1.00 23.43 H new ATOM 572 N CYS A 122 -1.836 9.113 -1.277 1.00 55.04 N ATOM 573 CA CYS A 122 -3.217 8.919 -1.705 1.00 35.34 C ATOM 574 C CYS A 122 -3.941 10.255 -1.831 1.00 3.50 C ATOM 575 O CYS A 122 -3.912 11.077 -0.916 1.00 54.33 O ATOM 576 CB CYS A 122 -3.956 8.018 -0.714 1.00 74.24 C ATOM 577 SG CYS A 122 -5.751 7.995 -0.935 1.00 31.42 S ATOM 0 H CYS A 122 -1.708 9.851 -0.585 1.00 55.04 H new ATOM 0 HA CYS A 122 -3.204 8.440 -2.684 1.00 35.34 H new ATOM 0 HB2 CYS A 122 -3.576 7.001 -0.810 1.00 74.24 H new ATOM 0 HB3 CYS A 122 -3.730 8.348 0.300 1.00 74.24 H new ATOM 0 HG CYS A 122 -6.304 7.380 0.068 1.00 31.42 H new ATOM 583 N ASN A 123 -4.587 10.466 -2.974 1.00 5.33 N ATOM 584 CA ASN A 123 -5.315 11.705 -3.222 1.00 73.32 C ATOM 585 C ASN A 123 -4.460 12.919 -2.873 1.00 4.42 C ATOM 586 O ASN A 123 -4.895 13.808 -2.142 1.00 41.33 O ATOM 587 CB ASN A 123 -6.612 11.729 -2.411 1.00 1.52 C ATOM 588 CG ASN A 123 -7.751 11.024 -3.119 1.00 71.03 C ATOM 589 OD1 ASN A 123 -7.463 9.858 -3.687 1.00 73.41 O flip ATOM 590 ND2 ASN A 123 -8.876 11.522 -3.157 1.00 13.34 N flip ATOM 0 H ASN A 123 -4.621 9.796 -3.742 1.00 5.33 H new ATOM 0 HA ASN A 123 -5.557 11.748 -4.284 1.00 73.32 H new ATOM 0 HB2 ASN A 123 -6.441 11.256 -1.444 1.00 1.52 H new ATOM 0 HB3 ASN A 123 -6.895 12.763 -2.214 1.00 1.52 H new ATOM 0 HD21 ASN A 123 -9.052 12.420 -2.707 1.00 13.34 H new ATOM 0 HD22 ASN A 123 -9.633 11.037 -3.639 1.00 13.34 H new ATOM 597 N GLY A 124 -3.239 12.949 -3.400 1.00 75.44 N ATOM 598 CA GLY A 124 -2.343 14.058 -3.134 1.00 24.25 C ATOM 599 C GLY A 124 -2.246 14.382 -1.656 1.00 40.24 C ATOM 600 O GLY A 124 -2.344 15.544 -1.263 1.00 13.51 O ATOM 0 H GLY A 124 -2.855 12.224 -4.007 1.00 75.44 H new ATOM 0 HA2 GLY A 124 -1.351 13.819 -3.517 1.00 24.25 H new ATOM 0 HA3 GLY A 124 -2.690 14.939 -3.674 1.00 24.25 H new ATOM 604 N GLN A 125 -2.055 13.354 -0.838 1.00 24.35 N ATOM 605 CA GLN A 125 -1.947 13.536 0.605 1.00 0.14 C ATOM 606 C GLN A 125 -1.078 12.448 1.229 1.00 41.55 C ATOM 607 O GLN A 125 -1.435 11.270 1.214 1.00 2.02 O ATOM 608 CB GLN A 125 -3.336 13.526 1.246 1.00 4.04 C ATOM 609 CG GLN A 125 -3.628 14.759 2.086 1.00 44.22 C ATOM 610 CD GLN A 125 -4.891 15.476 1.650 1.00 1.21 C ATOM 611 OE1 GLN A 125 -4.990 15.951 0.518 1.00 33.54 O ATOM 612 NE2 GLN A 125 -5.865 15.558 2.549 1.00 64.42 N ATOM 0 H GLN A 125 -1.972 12.386 -1.149 1.00 24.35 H new ATOM 0 HA GLN A 125 -1.475 14.501 0.790 1.00 0.14 H new ATOM 0 HB2 GLN A 125 -4.088 13.445 0.461 1.00 4.04 H new ATOM 0 HB3 GLN A 125 -3.431 12.639 1.872 1.00 4.04 H new ATOM 0 HG2 GLN A 125 -3.723 14.467 3.132 1.00 44.22 H new ATOM 0 HG3 GLN A 125 -2.784 15.446 2.022 1.00 44.22 H new ATOM 0 HE21 GLN A 125 -5.740 15.150 3.475 1.00 64.42 H new ATOM 0 HE22 GLN A 125 -6.738 16.029 2.313 1.00 64.42 H new ATOM 621 N LYS A 126 0.064 12.851 1.775 1.00 33.02 N ATOM 622 CA LYS A 126 0.985 11.911 2.404 1.00 50.41 C ATOM 623 C LYS A 126 0.281 11.107 3.493 1.00 62.23 C ATOM 624 O LYS A 126 0.089 11.591 4.609 1.00 71.44 O ATOM 625 CB LYS A 126 2.181 12.658 2.999 1.00 14.51 C ATOM 626 CG LYS A 126 3.467 11.851 2.995 1.00 75.33 C ATOM 627 CD LYS A 126 4.582 12.573 3.730 1.00 34.11 C ATOM 628 CE LYS A 126 5.451 13.375 2.774 1.00 44.34 C ATOM 629 NZ LYS A 126 6.878 13.389 3.201 1.00 51.11 N ATOM 0 H LYS A 126 0.374 13.822 1.795 1.00 33.02 H new ATOM 0 HA LYS A 126 1.340 11.221 1.639 1.00 50.41 H new ATOM 0 HB2 LYS A 126 2.339 13.579 2.438 1.00 14.51 H new ATOM 0 HB3 LYS A 126 1.946 12.945 4.024 1.00 14.51 H new ATOM 0 HG2 LYS A 126 3.291 10.882 3.462 1.00 75.33 H new ATOM 0 HG3 LYS A 126 3.773 11.658 1.967 1.00 75.33 H new ATOM 0 HD2 LYS A 126 4.154 13.238 4.480 1.00 34.11 H new ATOM 0 HD3 LYS A 126 5.198 11.848 4.262 1.00 34.11 H new ATOM 0 HE2 LYS A 126 5.376 12.951 1.772 1.00 44.34 H new ATOM 0 HE3 LYS A 126 5.079 14.398 2.716 1.00 44.34 H new ATOM 0 HZ1 LYS A 126 7.438 13.946 2.524 1.00 51.11 H new ATOM 0 HZ2 LYS A 126 6.953 13.816 4.146 1.00 51.11 H new ATOM 0 HZ3 LYS A 126 7.241 12.415 3.232 1.00 51.11 H new ATOM 643 N MET A 127 -0.099 9.878 3.161 1.00 20.24 N ATOM 644 CA MET A 127 -0.778 9.006 4.113 1.00 11.15 C ATOM 645 C MET A 127 0.091 8.761 5.343 1.00 53.41 C ATOM 646 O MET A 127 1.306 8.943 5.300 1.00 5.44 O ATOM 647 CB MET A 127 -1.133 7.672 3.452 1.00 12.22 C ATOM 648 CG MET A 127 -2.272 7.774 2.451 1.00 44.33 C ATOM 649 SD MET A 127 -2.865 6.162 1.907 1.00 73.41 S ATOM 650 CE MET A 127 -3.346 5.432 3.471 1.00 3.43 C ATOM 0 H MET A 127 0.051 9.463 2.241 1.00 20.24 H new ATOM 0 HA MET A 127 -1.695 9.502 4.431 1.00 11.15 H new ATOM 0 HB2 MET A 127 -0.250 7.280 2.947 1.00 12.22 H new ATOM 0 HB3 MET A 127 -1.403 6.953 4.226 1.00 12.22 H new ATOM 0 HG2 MET A 127 -3.097 8.327 2.900 1.00 44.33 H new ATOM 0 HG3 MET A 127 -1.939 8.346 1.585 1.00 44.33 H new ATOM 0 HE1 MET A 127 -4.013 4.589 3.289 1.00 3.43 H new ATOM 0 HE2 MET A 127 -2.458 5.085 3.999 1.00 3.43 H new ATOM 0 HE3 MET A 127 -3.860 6.177 4.078 1.00 3.43 H new ATOM 660 N GLU A 128 -0.543 8.350 6.438 1.00 62.13 N ATOM 661 CA GLU A 128 0.174 8.083 7.679 1.00 41.04 C ATOM 662 C GLU A 128 0.306 6.582 7.919 1.00 60.02 C ATOM 663 O GLU A 128 -0.663 5.909 8.271 1.00 53.03 O ATOM 664 CB GLU A 128 -0.546 8.738 8.860 1.00 10.34 C ATOM 665 CG GLU A 128 0.276 9.811 9.554 1.00 43.10 C ATOM 666 CD GLU A 128 0.091 9.805 11.059 1.00 0.35 C ATOM 667 OE1 GLU A 128 0.728 8.969 11.733 1.00 43.43 O ATOM 668 OE2 GLU A 128 -0.693 10.637 11.563 1.00 3.51 O ATOM 0 H GLU A 128 -1.550 8.195 6.490 1.00 62.13 H new ATOM 0 HA GLU A 128 1.174 8.508 7.590 1.00 41.04 H new ATOM 0 HB2 GLU A 128 -1.479 9.178 8.507 1.00 10.34 H new ATOM 0 HB3 GLU A 128 -0.811 7.969 9.585 1.00 10.34 H new ATOM 0 HG2 GLU A 128 1.330 9.663 9.321 1.00 43.10 H new ATOM 0 HG3 GLU A 128 -0.004 10.789 9.161 1.00 43.10 H new ATOM 675 N THR A 129 1.514 6.061 7.724 1.00 13.34 N ATOM 676 CA THR A 129 1.774 4.641 7.917 1.00 31.21 C ATOM 677 C THR A 129 2.411 4.378 9.277 1.00 13.11 C ATOM 678 O THR A 129 2.561 5.290 10.089 1.00 43.12 O ATOM 679 CB THR A 129 2.695 4.084 6.815 1.00 3.13 C ATOM 680 OG1 THR A 129 4.047 4.492 7.055 1.00 44.35 O ATOM 681 CG2 THR A 129 2.250 4.565 5.443 1.00 10.41 C ATOM 0 H THR A 129 2.328 6.603 7.432 1.00 13.34 H new ATOM 0 HA THR A 129 0.811 4.134 7.866 1.00 31.21 H new ATOM 0 HB THR A 129 2.635 2.996 6.837 1.00 3.13 H new ATOM 0 HG1 THR A 129 4.627 4.133 6.351 1.00 44.35 H new ATOM 0 HG21 THR A 129 2.916 4.159 4.681 1.00 10.41 H new ATOM 0 HG22 THR A 129 1.231 4.228 5.252 1.00 10.41 H new ATOM 0 HG23 THR A 129 2.284 5.654 5.411 1.00 10.41 H new ATOM 689 N ALA A 130 2.782 3.125 9.519 1.00 41.14 N ATOM 690 CA ALA A 130 3.405 2.742 10.780 1.00 12.52 C ATOM 691 C ALA A 130 4.849 2.300 10.568 1.00 13.43 C ATOM 692 O ALA A 130 5.752 2.736 11.280 1.00 32.02 O ATOM 693 CB ALA A 130 2.605 1.635 11.449 1.00 33.25 C ATOM 0 H ALA A 130 2.662 2.358 8.858 1.00 41.14 H new ATOM 0 HA ALA A 130 3.412 3.615 11.432 1.00 12.52 H new ATOM 0 HB1 ALA A 130 3.082 1.359 12.390 1.00 33.25 H new ATOM 0 HB2 ALA A 130 1.592 1.986 11.645 1.00 33.25 H new ATOM 0 HB3 ALA A 130 2.567 0.766 10.793 1.00 33.25 H new ATOM 699 N GLY A 131 5.058 1.433 9.583 1.00 70.13 N ATOM 700 CA GLY A 131 6.395 0.946 9.295 1.00 11.21 C ATOM 701 C GLY A 131 6.875 -0.068 10.315 1.00 11.23 C ATOM 702 O GLY A 131 7.972 0.061 10.857 1.00 31.51 O ATOM 0 H GLY A 131 4.326 1.059 8.979 1.00 70.13 H new ATOM 0 HA2 GLY A 131 6.408 0.493 8.304 1.00 11.21 H new ATOM 0 HA3 GLY A 131 7.087 1.787 9.270 1.00 11.21 H new ATOM 706 N GLU A 132 6.050 -1.075 10.580 1.00 71.41 N ATOM 707 CA GLU A 132 6.396 -2.112 11.545 1.00 61.21 C ATOM 708 C GLU A 132 7.319 -3.153 10.916 1.00 74.32 C ATOM 709 O GLU A 132 6.905 -3.923 10.049 1.00 62.42 O ATOM 710 CB GLU A 132 5.131 -2.790 12.075 1.00 12.41 C ATOM 711 CG GLU A 132 4.698 -2.287 13.442 1.00 23.11 C ATOM 712 CD GLU A 132 3.340 -2.818 13.856 1.00 13.42 C ATOM 713 OE1 GLU A 132 3.103 -4.034 13.695 1.00 4.34 O ATOM 714 OE2 GLU A 132 2.513 -2.017 14.342 1.00 44.04 O ATOM 0 H GLU A 132 5.137 -1.195 10.140 1.00 71.41 H new ATOM 0 HA GLU A 132 6.921 -1.640 12.375 1.00 61.21 H new ATOM 0 HB2 GLU A 132 4.319 -2.631 11.365 1.00 12.41 H new ATOM 0 HB3 GLU A 132 5.301 -3.865 12.130 1.00 12.41 H new ATOM 0 HG2 GLU A 132 5.440 -2.580 14.185 1.00 23.11 H new ATOM 0 HG3 GLU A 132 4.670 -1.197 13.432 1.00 23.11 H new ATOM 781 N GLY A 137 9.767 -8.783 6.382 1.00 64.13 N ATOM 782 CA GLY A 137 8.760 -7.971 5.725 1.00 53.22 C ATOM 783 C GLY A 137 8.420 -6.720 6.511 1.00 32.01 C ATOM 784 O GLY A 137 8.985 -6.474 7.577 1.00 31.01 O ATOM 0 HA2 GLY A 137 9.115 -7.688 4.734 1.00 53.22 H new ATOM 0 HA3 GLY A 137 7.856 -8.564 5.582 1.00 53.22 H new ATOM 788 N THR A 138 7.494 -5.925 5.983 1.00 34.42 N ATOM 789 CA THR A 138 7.082 -4.691 6.641 1.00 14.15 C ATOM 790 C THR A 138 5.565 -4.539 6.624 1.00 50.25 C ATOM 791 O THR A 138 4.930 -4.688 5.580 1.00 51.02 O ATOM 792 CB THR A 138 7.718 -3.458 5.973 1.00 60.44 C ATOM 793 OG1 THR A 138 8.678 -3.873 4.994 1.00 51.55 O ATOM 794 CG2 THR A 138 8.393 -2.570 7.006 1.00 13.14 C ATOM 0 H THR A 138 7.016 -6.114 5.102 1.00 34.42 H new ATOM 0 HA THR A 138 7.427 -4.753 7.673 1.00 14.15 H new ATOM 0 HB THR A 138 6.927 -2.887 5.488 1.00 60.44 H new ATOM 0 HG1 THR A 138 9.520 -3.392 5.137 1.00 51.55 H new ATOM 0 HG21 THR A 138 8.835 -1.706 6.510 1.00 13.14 H new ATOM 0 HG22 THR A 138 7.655 -2.233 7.734 1.00 13.14 H new ATOM 0 HG23 THR A 138 9.174 -3.134 7.516 1.00 13.14 H new ATOM 802 N GLU A 139 4.991 -4.241 7.784 1.00 31.03 N ATOM 803 CA GLU A 139 3.548 -4.069 7.900 1.00 72.40 C ATOM 804 C GLU A 139 3.181 -2.590 7.982 1.00 50.44 C ATOM 805 O GLU A 139 3.251 -1.978 9.048 1.00 13.33 O ATOM 806 CB GLU A 139 3.021 -4.804 9.135 1.00 70.52 C ATOM 807 CG GLU A 139 3.619 -6.190 9.318 1.00 4.33 C ATOM 808 CD GLU A 139 3.094 -6.892 10.556 1.00 42.10 C ATOM 809 OE1 GLU A 139 3.266 -6.347 11.666 1.00 24.31 O ATOM 810 OE2 GLU A 139 2.509 -7.986 10.413 1.00 64.11 O ATOM 0 H GLU A 139 5.503 -4.114 8.657 1.00 31.03 H new ATOM 0 HA GLU A 139 3.086 -4.493 7.008 1.00 72.40 H new ATOM 0 HB2 GLU A 139 3.232 -4.206 10.021 1.00 70.52 H new ATOM 0 HB3 GLU A 139 1.937 -4.892 9.061 1.00 70.52 H new ATOM 0 HG2 GLU A 139 3.398 -6.796 8.440 1.00 4.33 H new ATOM 0 HG3 GLU A 139 4.704 -6.108 9.384 1.00 4.33 H new ATOM 817 N THR A 140 2.790 -2.019 6.846 1.00 23.32 N ATOM 818 CA THR A 140 2.414 -0.613 6.786 1.00 22.44 C ATOM 819 C THR A 140 0.984 -0.405 7.273 1.00 5.15 C ATOM 820 O THR A 140 0.028 -0.806 6.610 1.00 52.02 O ATOM 821 CB THR A 140 2.544 -0.056 5.356 1.00 51.11 C ATOM 822 OG1 THR A 140 2.981 -1.090 4.466 1.00 12.25 O ATOM 823 CG2 THR A 140 3.527 1.105 5.314 1.00 75.14 C ATOM 0 H THR A 140 2.726 -2.510 5.955 1.00 23.32 H new ATOM 0 HA THR A 140 3.100 -0.075 7.440 1.00 22.44 H new ATOM 0 HB THR A 140 1.566 0.306 5.040 1.00 51.11 H new ATOM 0 HG1 THR A 140 2.214 -1.638 4.199 1.00 12.25 H new ATOM 0 HG21 THR A 140 3.602 1.482 4.294 1.00 75.14 H new ATOM 0 HG22 THR A 140 3.177 1.902 5.970 1.00 75.14 H new ATOM 0 HG23 THR A 140 4.507 0.764 5.648 1.00 75.14 H new ATOM 831 N HIS A 141 0.846 0.226 8.435 1.00 40.10 N ATOM 832 CA HIS A 141 -0.469 0.488 9.010 1.00 2.50 C ATOM 833 C HIS A 141 -0.879 1.941 8.786 1.00 21.23 C ATOM 834 O HIS A 141 -0.318 2.854 9.392 1.00 53.22 O ATOM 835 CB HIS A 141 -0.468 0.171 10.505 1.00 22.43 C ATOM 836 CG HIS A 141 0.048 -1.198 10.826 1.00 70.55 C ATOM 837 ND1 HIS A 141 1.286 -1.619 11.177 1.00 32.54 N flip ATOM 838 CD2 HIS A 141 -0.745 -2.326 10.802 1.00 31.12 C flip ATOM 839 CE1 HIS A 141 1.218 -2.978 11.359 1.00 65.43 C flip ATOM 840 NE2 HIS A 141 -0.019 -3.380 11.128 1.00 4.13 N flip ATOM 0 H HIS A 141 1.627 0.565 8.996 1.00 40.10 H new ATOM 0 HA HIS A 141 -1.192 -0.157 8.511 1.00 2.50 H new ATOM 0 HB2 HIS A 141 0.141 0.911 11.025 1.00 22.43 H new ATOM 0 HB3 HIS A 141 -1.484 0.267 10.889 1.00 22.43 H new ATOM 0 HD2 HIS A 141 -1.796 -2.345 10.555 1.00 31.12 H new ATOM 0 HE1 HIS A 141 2.042 -3.615 11.645 1.00 65.43 H new ATOM 0 HE2 HIS A 141 -0.356 -4.341 11.191 1.00 4.13 H new ATOM 848 N PHE A 142 -1.859 2.147 7.914 1.00 32.01 N ATOM 849 CA PHE A 142 -2.344 3.489 7.610 1.00 24.51 C ATOM 850 C PHE A 142 -3.865 3.506 7.500 1.00 41.24 C ATOM 851 O PHE A 142 -4.487 2.494 7.174 1.00 22.14 O ATOM 852 CB PHE A 142 -1.721 3.995 6.307 1.00 64.23 C ATOM 853 CG PHE A 142 -1.722 2.973 5.205 1.00 2.52 C ATOM 854 CD1 PHE A 142 -2.913 2.538 4.648 1.00 74.31 C ATOM 855 CD2 PHE A 142 -0.532 2.451 4.727 1.00 63.25 C ATOM 856 CE1 PHE A 142 -2.917 1.598 3.635 1.00 24.41 C ATOM 857 CE2 PHE A 142 -0.529 1.512 3.713 1.00 65.50 C ATOM 858 CZ PHE A 142 -1.724 1.085 3.166 1.00 24.14 C ATOM 0 H PHE A 142 -2.334 1.402 7.405 1.00 32.01 H new ATOM 0 HA PHE A 142 -2.050 4.149 8.426 1.00 24.51 H new ATOM 0 HB2 PHE A 142 -2.265 4.879 5.973 1.00 64.23 H new ATOM 0 HB3 PHE A 142 -0.695 4.307 6.501 1.00 64.23 H new ATOM 0 HD1 PHE A 142 -3.849 2.938 5.009 1.00 74.31 H new ATOM 0 HD2 PHE A 142 0.405 2.781 5.151 1.00 63.25 H new ATOM 0 HE1 PHE A 142 -3.853 1.265 3.211 1.00 24.41 H new ATOM 0 HE2 PHE A 142 0.406 1.113 3.349 1.00 65.50 H new ATOM 0 HZ PHE A 142 -1.725 0.352 2.373 1.00 24.14 H new ATOM 868 N SER A 143 -4.459 4.663 7.773 1.00 62.21 N ATOM 869 CA SER A 143 -5.908 4.812 7.710 1.00 71.03 C ATOM 870 C SER A 143 -6.306 5.776 6.596 1.00 13.14 C ATOM 871 O SER A 143 -5.466 6.488 6.045 1.00 60.24 O ATOM 872 CB SER A 143 -6.450 5.311 9.050 1.00 0.33 C ATOM 873 OG SER A 143 -5.931 6.592 9.365 1.00 73.12 O ATOM 0 H SER A 143 -3.959 5.511 8.040 1.00 62.21 H new ATOM 0 HA SER A 143 -6.340 3.835 7.494 1.00 71.03 H new ATOM 0 HB2 SER A 143 -7.538 5.355 9.012 1.00 0.33 H new ATOM 0 HB3 SER A 143 -6.187 4.605 9.838 1.00 0.33 H new ATOM 0 HG SER A 143 -6.294 6.890 10.225 1.00 73.12 H new ATOM 879 N VAL A 144 -7.596 5.795 6.271 1.00 65.20 N ATOM 880 CA VAL A 144 -8.107 6.671 5.224 1.00 13.21 C ATOM 881 C VAL A 144 -9.545 7.088 5.511 1.00 21.43 C ATOM 882 O VAL A 144 -10.486 6.347 5.228 1.00 24.21 O ATOM 883 CB VAL A 144 -8.047 5.992 3.843 1.00 3.15 C ATOM 884 CG1 VAL A 144 -8.607 6.913 2.769 1.00 23.15 C ATOM 885 CG2 VAL A 144 -6.620 5.582 3.514 1.00 60.33 C ATOM 0 H VAL A 144 -8.305 5.214 6.718 1.00 65.20 H new ATOM 0 HA VAL A 144 -7.470 7.555 5.213 1.00 13.21 H new ATOM 0 HB VAL A 144 -8.662 5.093 3.872 1.00 3.15 H new ATOM 0 HG11 VAL A 144 -8.556 6.416 1.800 1.00 23.15 H new ATOM 0 HG12 VAL A 144 -9.645 7.152 3.000 1.00 23.15 H new ATOM 0 HG13 VAL A 144 -8.022 7.832 2.736 1.00 23.15 H new ATOM 0 HG21 VAL A 144 -6.595 5.104 2.535 1.00 60.33 H new ATOM 0 HG22 VAL A 144 -5.981 6.465 3.503 1.00 60.33 H new ATOM 0 HG23 VAL A 144 -6.259 4.883 4.268 1.00 60.33 H new ATOM 895 N GLY A 145 -9.709 8.281 6.076 1.00 74.11 N ATOM 896 CA GLY A 145 -11.035 8.777 6.391 1.00 74.40 C ATOM 897 C GLY A 145 -11.774 7.878 7.363 1.00 32.34 C ATOM 898 O GLY A 145 -11.518 7.910 8.567 1.00 41.54 O ATOM 0 H GLY A 145 -8.946 8.912 6.321 1.00 74.11 H new ATOM 0 HA2 GLY A 145 -10.954 9.778 6.816 1.00 74.40 H new ATOM 0 HA3 GLY A 145 -11.614 8.867 5.472 1.00 74.40 H new ATOM 902 N ASN A 146 -12.694 7.074 6.842 1.00 75.03 N ATOM 903 CA ASN A 146 -13.474 6.164 7.672 1.00 34.30 C ATOM 904 C ASN A 146 -13.325 4.724 7.191 1.00 63.43 C ATOM 905 O ASN A 146 -14.231 3.905 7.353 1.00 41.34 O ATOM 906 CB ASN A 146 -14.951 6.565 7.660 1.00 40.55 C ATOM 907 CG ASN A 146 -15.522 6.713 9.057 1.00 72.54 C ATOM 908 OD1 ASN A 146 -16.101 5.774 9.604 1.00 23.12 O ATOM 909 ND2 ASN A 146 -15.363 7.894 9.640 1.00 5.51 N ATOM 0 H ASN A 146 -12.918 7.034 5.848 1.00 75.03 H new ATOM 0 HA ASN A 146 -13.094 6.230 8.692 1.00 34.30 H new ATOM 0 HB2 ASN A 146 -15.065 7.506 7.123 1.00 40.55 H new ATOM 0 HB3 ASN A 146 -15.524 5.815 7.114 1.00 40.55 H new ATOM 0 HD21 ASN A 146 -15.727 8.052 10.579 1.00 5.51 H new ATOM 0 HD22 ASN A 146 -14.876 8.644 9.149 1.00 5.51 H new ATOM 916 N HIS A 147 -12.174 4.420 6.599 1.00 2.42 N ATOM 917 CA HIS A 147 -11.903 3.079 6.095 1.00 71.24 C ATOM 918 C HIS A 147 -10.661 2.489 6.755 1.00 2.31 C ATOM 919 O HIS A 147 -10.082 3.093 7.659 1.00 20.54 O ATOM 920 CB HIS A 147 -11.722 3.109 4.576 1.00 23.40 C ATOM 921 CG HIS A 147 -12.966 3.485 3.832 1.00 3.13 C ATOM 922 ND1 HIS A 147 -13.183 4.439 2.897 1.00 1.35 N flip ATOM 923 CD2 HIS A 147 -14.176 2.850 4.018 1.00 54.51 C flip ATOM 924 CE1 HIS A 147 -14.507 4.364 2.538 1.00 21.33 C flip ATOM 925 NE2 HIS A 147 -15.083 3.397 3.228 1.00 62.31 N flip ATOM 0 H HIS A 147 -11.414 5.085 6.457 1.00 2.42 H new ATOM 0 HA HIS A 147 -12.757 2.447 6.340 1.00 71.24 H new ATOM 0 HB2 HIS A 147 -10.931 3.817 4.326 1.00 23.40 H new ATOM 0 HB3 HIS A 147 -11.389 2.127 4.239 1.00 23.40 H new ATOM 0 HD2 HIS A 147 -14.354 2.034 4.702 1.00 54.51 H new ATOM 0 HE1 HIS A 147 -14.997 4.994 1.810 1.00 21.33 H new ATOM 0 HE2 HIS A 147 -16.062 3.119 3.162 1.00 62.31 H new ATOM 933 N ASP A 148 -10.257 1.309 6.299 1.00 34.43 N ATOM 934 CA ASP A 148 -9.083 0.638 6.847 1.00 55.33 C ATOM 935 C ASP A 148 -8.337 -0.126 5.758 1.00 53.34 C ATOM 936 O ASP A 148 -8.878 -1.055 5.156 1.00 35.23 O ATOM 937 CB ASP A 148 -9.492 -0.317 7.969 1.00 25.12 C ATOM 938 CG ASP A 148 -8.589 -0.206 9.181 1.00 3.51 C ATOM 939 OD1 ASP A 148 -7.417 0.192 9.013 1.00 62.42 O ATOM 940 OD2 ASP A 148 -9.053 -0.517 10.298 1.00 14.52 O ATOM 0 H ASP A 148 -10.725 0.797 5.551 1.00 34.43 H new ATOM 0 HA ASP A 148 -8.417 1.399 7.254 1.00 55.33 H new ATOM 0 HB2 ASP A 148 -10.520 -0.107 8.265 1.00 25.12 H new ATOM 0 HB3 ASP A 148 -9.471 -1.341 7.596 1.00 25.12 H new ATOM 945 N CYS A 149 -7.095 0.272 5.508 1.00 30.24 N ATOM 946 CA CYS A 149 -6.275 -0.375 4.490 1.00 54.45 C ATOM 947 C CYS A 149 -4.821 -0.468 4.941 1.00 52.33 C ATOM 948 O CYS A 149 -4.371 0.307 5.784 1.00 10.34 O ATOM 949 CB CYS A 149 -6.365 0.394 3.170 1.00 24.24 C ATOM 950 SG CYS A 149 -6.462 2.188 3.366 1.00 51.42 S ATOM 0 H CYS A 149 -6.634 1.040 5.996 1.00 30.24 H new ATOM 0 HA CYS A 149 -6.654 -1.386 4.340 1.00 54.45 H new ATOM 0 HB2 CYS A 149 -5.494 0.152 2.561 1.00 24.24 H new ATOM 0 HB3 CYS A 149 -7.242 0.051 2.621 1.00 24.24 H new ATOM 0 HG CYS A 149 -5.286 2.656 3.663 1.00 51.42 H new ATOM 956 N TYR A 150 -4.091 -1.422 4.373 1.00 11.32 N ATOM 957 CA TYR A 150 -2.688 -1.620 4.720 1.00 13.43 C ATOM 958 C TYR A 150 -1.917 -2.216 3.547 1.00 30.13 C ATOM 959 O TYR A 150 -2.456 -3.007 2.773 1.00 43.50 O ATOM 960 CB TYR A 150 -2.567 -2.531 5.942 1.00 13.22 C ATOM 961 CG TYR A 150 -2.887 -3.980 5.651 1.00 53.24 C ATOM 962 CD1 TYR A 150 -4.200 -4.399 5.472 1.00 2.21 C ATOM 963 CD2 TYR A 150 -1.878 -4.929 5.553 1.00 51.13 C ATOM 964 CE1 TYR A 150 -4.498 -5.722 5.207 1.00 61.15 C ATOM 965 CE2 TYR A 150 -2.166 -6.253 5.286 1.00 23.34 C ATOM 966 CZ TYR A 150 -3.477 -6.645 5.115 1.00 70.10 C ATOM 967 OH TYR A 150 -3.769 -7.963 4.849 1.00 64.11 O ATOM 0 H TYR A 150 -4.447 -2.070 3.671 1.00 11.32 H new ATOM 0 HA TYR A 150 -2.257 -0.647 4.958 1.00 13.43 H new ATOM 0 HB2 TYR A 150 -1.553 -2.464 6.336 1.00 13.22 H new ATOM 0 HB3 TYR A 150 -3.237 -2.169 6.722 1.00 13.22 H new ATOM 0 HD1 TYR A 150 -5.001 -3.678 5.541 1.00 2.21 H new ATOM 0 HD2 TYR A 150 -0.850 -4.626 5.688 1.00 51.13 H new ATOM 0 HE1 TYR A 150 -5.524 -6.031 5.073 1.00 61.15 H new ATOM 0 HE2 TYR A 150 -1.369 -6.978 5.212 1.00 23.34 H new ATOM 0 HH TYR A 150 -4.738 -8.071 4.754 1.00 64.11 H new ATOM 977 N ILE A 151 -0.650 -1.831 3.424 1.00 54.24 N ATOM 978 CA ILE A 151 0.197 -2.329 2.347 1.00 13.30 C ATOM 979 C ILE A 151 1.061 -3.492 2.821 1.00 3.44 C ATOM 980 O ILE A 151 1.969 -3.314 3.635 1.00 73.41 O ATOM 981 CB ILE A 151 1.109 -1.220 1.791 1.00 52.13 C ATOM 982 CG1 ILE A 151 0.357 -0.387 0.750 1.00 43.31 C ATOM 983 CG2 ILE A 151 2.367 -1.823 1.186 1.00 45.42 C ATOM 984 CD1 ILE A 151 0.715 1.083 0.779 1.00 10.40 C ATOM 0 H ILE A 151 -0.189 -1.177 4.056 1.00 54.24 H new ATOM 0 HA ILE A 151 -0.468 -2.673 1.555 1.00 13.30 H new ATOM 0 HB ILE A 151 1.402 -0.565 2.611 1.00 52.13 H new ATOM 0 HG12 ILE A 151 0.568 -0.784 -0.243 1.00 43.31 H new ATOM 0 HG13 ILE A 151 -0.715 -0.495 0.916 1.00 43.31 H new ATOM 0 HG21 ILE A 151 3.002 -1.027 0.797 1.00 45.42 H new ATOM 0 HG22 ILE A 151 2.909 -2.378 1.952 1.00 45.42 H new ATOM 0 HG23 ILE A 151 2.093 -2.498 0.375 1.00 45.42 H new ATOM 0 HD11 ILE A 151 0.145 1.612 0.015 1.00 10.40 H new ATOM 0 HD12 ILE A 151 0.478 1.496 1.760 1.00 10.40 H new ATOM 0 HD13 ILE A 151 1.781 1.202 0.583 1.00 10.40 H new ATOM 996 N LYS A 152 0.777 -4.683 2.306 1.00 14.33 N ATOM 997 CA LYS A 152 1.529 -5.876 2.673 1.00 0.04 C ATOM 998 C LYS A 152 2.849 -5.942 1.912 1.00 74.43 C ATOM 999 O LYS A 152 2.879 -6.300 0.735 1.00 63.14 O ATOM 1000 CB LYS A 152 0.702 -7.132 2.392 1.00 33.31 C ATOM 1001 CG LYS A 152 0.637 -8.094 3.566 1.00 10.32 C ATOM 1002 CD LYS A 152 -0.630 -8.933 3.531 1.00 1.42 C ATOM 1003 CE LYS A 152 -0.613 -10.013 4.602 1.00 4.24 C ATOM 1004 NZ LYS A 152 -1.693 -11.017 4.394 1.00 2.33 N ATOM 0 H LYS A 152 0.030 -4.848 1.632 1.00 14.33 H new ATOM 0 HA LYS A 152 1.747 -5.824 3.740 1.00 0.04 H new ATOM 0 HB2 LYS A 152 -0.311 -6.836 2.119 1.00 33.31 H new ATOM 0 HB3 LYS A 152 1.125 -7.650 1.532 1.00 33.31 H new ATOM 0 HG2 LYS A 152 1.508 -8.749 3.550 1.00 10.32 H new ATOM 0 HG3 LYS A 152 0.677 -7.533 4.500 1.00 10.32 H new ATOM 0 HD2 LYS A 152 -1.498 -8.290 3.675 1.00 1.42 H new ATOM 0 HD3 LYS A 152 -0.735 -9.394 2.549 1.00 1.42 H new ATOM 0 HE2 LYS A 152 0.355 -10.514 4.597 1.00 4.24 H new ATOM 0 HE3 LYS A 152 -0.729 -9.553 5.583 1.00 4.24 H new ATOM 0 HZ1 LYS A 152 -1.648 -11.736 5.144 1.00 2.33 H new ATOM 0 HZ2 LYS A 152 -2.618 -10.543 4.424 1.00 2.33 H new ATOM 0 HZ3 LYS A 152 -1.568 -11.474 3.468 1.00 2.33 H new ATOM 1018 N ALA A 153 3.937 -5.597 2.592 1.00 65.33 N ATOM 1019 CA ALA A 153 5.260 -5.622 1.980 1.00 74.43 C ATOM 1020 C ALA A 153 5.977 -6.935 2.273 1.00 74.25 C ATOM 1021 O ALA A 153 5.902 -7.460 3.384 1.00 71.52 O ATOM 1022 CB ALA A 153 6.090 -4.445 2.470 1.00 1.22 C ATOM 0 H ALA A 153 3.929 -5.297 3.567 1.00 65.33 H new ATOM 0 HA ALA A 153 5.135 -5.541 0.900 1.00 74.43 H new ATOM 0 HB1 ALA A 153 7.075 -4.476 2.005 1.00 1.22 H new ATOM 0 HB2 ALA A 153 5.592 -3.513 2.203 1.00 1.22 H new ATOM 0 HB3 ALA A 153 6.198 -4.502 3.553 1.00 1.22 H new ATOM 1028 N VAL A 154 6.671 -7.463 1.269 1.00 11.25 N ATOM 1029 CA VAL A 154 7.401 -8.715 1.420 1.00 74.13 C ATOM 1030 C VAL A 154 8.791 -8.619 0.801 1.00 53.12 C ATOM 1031 O VAL A 154 8.935 -8.318 -0.384 1.00 12.03 O ATOM 1032 CB VAL A 154 6.643 -9.889 0.771 1.00 75.40 C ATOM 1033 CG1 VAL A 154 7.312 -11.212 1.113 1.00 51.21 C ATOM 1034 CG2 VAL A 154 5.186 -9.890 1.211 1.00 62.31 C ATOM 0 H VAL A 154 6.742 -7.042 0.343 1.00 11.25 H new ATOM 0 HA VAL A 154 7.494 -8.899 2.490 1.00 74.13 H new ATOM 0 HB VAL A 154 6.673 -9.764 -0.311 1.00 75.40 H new ATOM 0 HG11 VAL A 154 6.762 -12.029 0.646 1.00 51.21 H new ATOM 0 HG12 VAL A 154 8.338 -11.207 0.744 1.00 51.21 H new ATOM 0 HG13 VAL A 154 7.316 -11.349 2.194 1.00 51.21 H new ATOM 0 HG21 VAL A 154 4.665 -10.726 0.743 1.00 62.31 H new ATOM 0 HG22 VAL A 154 5.133 -9.991 2.295 1.00 62.31 H new ATOM 0 HG23 VAL A 154 4.714 -8.954 0.910 1.00 62.31 H new ATOM 1044 N SER A 155 9.813 -8.877 1.611 1.00 61.04 N ATOM 1045 CA SER A 155 11.192 -8.816 1.144 1.00 5.00 C ATOM 1046 C SER A 155 11.654 -10.178 0.634 1.00 50.43 C ATOM 1047 O SER A 155 11.188 -11.218 1.098 1.00 74.21 O ATOM 1048 CB SER A 155 12.114 -8.342 2.270 1.00 31.25 C ATOM 1049 OG SER A 155 12.704 -9.441 2.942 1.00 45.10 O ATOM 0 H SER A 155 9.711 -9.130 2.594 1.00 61.04 H new ATOM 0 HA SER A 155 11.239 -8.103 0.321 1.00 5.00 H new ATOM 0 HB2 SER A 155 12.894 -7.701 1.860 1.00 31.25 H new ATOM 0 HB3 SER A 155 11.547 -7.740 2.980 1.00 31.25 H new ATOM 0 HG SER A 155 13.290 -9.112 3.656 1.00 45.10 H new ATOM 1055 N SER A 156 12.573 -10.162 -0.326 1.00 23.23 N ATOM 1056 CA SER A 156 13.096 -11.395 -0.903 1.00 62.25 C ATOM 1057 C SER A 156 14.575 -11.247 -1.255 1.00 15.44 C ATOM 1058 O SER A 156 14.971 -10.301 -1.934 1.00 54.21 O ATOM 1059 CB SER A 156 12.300 -11.776 -2.154 1.00 1.44 C ATOM 1060 OG SER A 156 12.582 -10.893 -3.226 1.00 63.44 O ATOM 0 H SER A 156 12.971 -9.310 -0.720 1.00 23.23 H new ATOM 0 HA SER A 156 12.994 -12.186 -0.160 1.00 62.25 H new ATOM 0 HB2 SER A 156 12.543 -12.798 -2.446 1.00 1.44 H new ATOM 0 HB3 SER A 156 11.233 -11.754 -1.931 1.00 1.44 H new ATOM 0 HG SER A 156 12.654 -9.977 -2.885 1.00 63.44 H new ATOM 1066 N GLY A 157 15.385 -12.190 -0.785 1.00 60.05 N ATOM 1067 CA GLY A 157 16.809 -12.147 -1.058 1.00 64.52 C ATOM 1068 C GLY A 157 17.645 -12.457 0.168 1.00 53.42 C ATOM 1069 O GLY A 157 17.267 -13.290 0.992 1.00 32.00 O ATOM 0 H GLY A 157 15.080 -12.983 -0.220 1.00 60.05 H new ATOM 0 HA2 GLY A 157 17.046 -12.862 -1.846 1.00 64.52 H new ATOM 0 HA3 GLY A 157 17.074 -11.159 -1.434 1.00 64.52 H new ATOM 1073 N LYS A 158 18.785 -11.786 0.291 1.00 44.11 N ATOM 1074 CA LYS A 158 19.677 -11.994 1.425 1.00 42.42 C ATOM 1075 C LYS A 158 19.411 -10.967 2.521 1.00 2.33 C ATOM 1076 O LYS A 158 19.008 -11.320 3.629 1.00 4.24 O ATOM 1077 CB LYS A 158 21.138 -11.906 0.974 1.00 75.25 C ATOM 1078 CG LYS A 158 21.555 -13.031 0.042 1.00 34.13 C ATOM 1079 CD LYS A 158 23.062 -13.078 -0.136 1.00 42.14 C ATOM 1080 CE LYS A 158 23.460 -12.848 -1.586 1.00 54.12 C ATOM 1081 NZ LYS A 158 24.878 -13.224 -1.839 1.00 62.24 N ATOM 0 H LYS A 158 19.113 -11.093 -0.382 1.00 44.11 H new ATOM 0 HA LYS A 158 19.486 -12.989 1.828 1.00 42.42 H new ATOM 0 HB2 LYS A 158 21.298 -10.952 0.472 1.00 75.25 H new ATOM 0 HB3 LYS A 158 21.782 -11.916 1.853 1.00 75.25 H new ATOM 0 HG2 LYS A 158 21.205 -13.983 0.440 1.00 34.13 H new ATOM 0 HG3 LYS A 158 21.077 -12.897 -0.928 1.00 34.13 H new ATOM 0 HD2 LYS A 158 23.528 -12.321 0.495 1.00 42.14 H new ATOM 0 HD3 LYS A 158 23.439 -14.045 0.197 1.00 42.14 H new ATOM 0 HE2 LYS A 158 22.808 -13.430 -2.238 1.00 54.12 H new ATOM 0 HE3 LYS A 158 23.312 -11.799 -1.841 1.00 54.12 H new ATOM 0 HZ1 LYS A 158 25.110 -13.052 -2.838 1.00 62.24 H new ATOM 0 HZ2 LYS A 158 25.502 -12.651 -1.236 1.00 62.24 H new ATOM 0 HZ3 LYS A 158 25.014 -14.232 -1.620 1.00 62.24 H new ATOM 1095 N ARG A 159 19.638 -9.696 2.205 1.00 72.05 N ATOM 1096 CA ARG A 159 19.422 -8.619 3.162 1.00 23.15 C ATOM 1097 C ARG A 159 18.420 -7.603 2.622 1.00 32.34 C ATOM 1098 O ARG A 159 17.615 -7.050 3.371 1.00 2.22 O ATOM 1099 CB ARG A 159 20.745 -7.924 3.488 1.00 64.10 C ATOM 1100 CG ARG A 159 21.561 -7.561 2.258 1.00 71.24 C ATOM 1101 CD ARG A 159 22.884 -8.310 2.226 1.00 70.35 C ATOM 1102 NE ARG A 159 23.669 -7.984 1.038 1.00 74.43 N ATOM 1103 CZ ARG A 159 24.411 -6.888 0.926 1.00 62.12 C ATOM 1104 NH1 ARG A 159 24.469 -6.018 1.925 1.00 41.24 N ATOM 1105 NH2 ARG A 159 25.097 -6.661 -0.187 1.00 4.12 N ATOM 0 H ARG A 159 19.972 -9.387 1.292 1.00 72.05 H new ATOM 0 HA ARG A 159 19.014 -9.055 4.074 1.00 23.15 H new ATOM 0 HB2 ARG A 159 20.539 -7.018 4.057 1.00 64.10 H new ATOM 0 HB3 ARG A 159 21.339 -8.575 4.129 1.00 64.10 H new ATOM 0 HG2 ARG A 159 20.989 -7.792 1.359 1.00 71.24 H new ATOM 0 HG3 ARG A 159 21.749 -6.487 2.249 1.00 71.24 H new ATOM 0 HD2 ARG A 159 23.460 -8.067 3.119 1.00 70.35 H new ATOM 0 HD3 ARG A 159 22.694 -9.383 2.252 1.00 70.35 H new ATOM 0 HE ARG A 159 23.646 -8.633 0.252 1.00 74.43 H new ATOM 0 HH11 ARG A 159 23.943 -6.190 2.782 1.00 41.24 H new ATOM 0 HH12 ARG A 159 25.040 -5.177 1.837 1.00 41.24 H new ATOM 0 HH21 ARG A 159 25.055 -7.328 -0.957 1.00 4.12 H new ATOM 0 HH22 ARG A 159 25.667 -5.819 -0.272 1.00 4.12 H new ATOM 1119 N LYS A 160 18.476 -7.362 1.317 1.00 3.42 N ATOM 1120 CA LYS A 160 17.575 -6.413 0.674 1.00 10.04 C ATOM 1121 C LYS A 160 17.737 -6.450 -0.843 1.00 1.05 C ATOM 1122 O LYS A 160 17.937 -5.416 -1.479 1.00 24.32 O ATOM 1123 CB LYS A 160 17.838 -4.997 1.191 1.00 33.35 C ATOM 1124 CG LYS A 160 16.738 -4.009 0.845 1.00 32.01 C ATOM 1125 CD LYS A 160 17.309 -2.683 0.370 1.00 11.01 C ATOM 1126 CE LYS A 160 16.714 -1.513 1.137 1.00 35.23 C ATOM 1127 NZ LYS A 160 15.608 -0.860 0.384 1.00 34.21 N ATOM 0 H LYS A 160 19.137 -7.811 0.683 1.00 3.42 H new ATOM 0 HA LYS A 160 16.552 -6.699 0.920 1.00 10.04 H new ATOM 0 HB2 LYS A 160 17.957 -5.031 2.274 1.00 33.35 H new ATOM 0 HB3 LYS A 160 18.781 -4.638 0.778 1.00 33.35 H new ATOM 0 HG2 LYS A 160 16.100 -4.431 0.068 1.00 32.01 H new ATOM 0 HG3 LYS A 160 16.109 -3.843 1.719 1.00 32.01 H new ATOM 0 HD2 LYS A 160 18.392 -2.687 0.493 1.00 11.01 H new ATOM 0 HD3 LYS A 160 17.110 -2.560 -0.695 1.00 11.01 H new ATOM 0 HE2 LYS A 160 16.341 -1.862 2.100 1.00 35.23 H new ATOM 0 HE3 LYS A 160 17.494 -0.780 1.344 1.00 35.23 H new ATOM 0 HZ1 LYS A 160 15.229 -0.067 0.941 1.00 34.21 H new ATOM 0 HZ2 LYS A 160 15.969 -0.504 -0.524 1.00 34.21 H new ATOM 0 HZ3 LYS A 160 14.852 -1.552 0.208 1.00 34.21 H new ATOM 1141 N GLU A 161 17.647 -7.647 -1.414 1.00 24.40 N ATOM 1142 CA GLU A 161 17.783 -7.816 -2.856 1.00 61.11 C ATOM 1143 C GLU A 161 16.589 -7.214 -3.590 1.00 3.53 C ATOM 1144 O GLU A 161 16.738 -6.282 -4.380 1.00 65.14 O ATOM 1145 CB GLU A 161 17.916 -9.300 -3.207 1.00 25.21 C ATOM 1146 CG GLU A 161 18.672 -9.554 -4.500 1.00 5.25 C ATOM 1147 CD GLU A 161 17.936 -9.034 -5.719 1.00 10.53 C ATOM 1148 OE1 GLU A 161 16.718 -9.286 -5.826 1.00 53.24 O ATOM 1149 OE2 GLU A 161 18.578 -8.376 -6.565 1.00 33.13 O ATOM 0 H GLU A 161 17.481 -8.513 -0.901 1.00 24.40 H new ATOM 0 HA GLU A 161 18.684 -7.292 -3.174 1.00 61.11 H new ATOM 0 HB2 GLU A 161 18.425 -9.813 -2.391 1.00 25.21 H new ATOM 0 HB3 GLU A 161 16.920 -9.737 -3.286 1.00 25.21 H new ATOM 0 HG2 GLU A 161 19.652 -9.080 -4.442 1.00 5.25 H new ATOM 0 HG3 GLU A 161 18.842 -10.625 -4.612 1.00 5.25 H new ATOM 1156 N GLY A 162 15.404 -7.752 -3.321 1.00 53.35 N ATOM 1157 CA GLY A 162 14.201 -7.256 -3.964 1.00 62.04 C ATOM 1158 C GLY A 162 13.001 -7.267 -3.039 1.00 31.43 C ATOM 1159 O GLY A 162 12.805 -8.216 -2.279 1.00 34.15 O ATOM 0 H GLY A 162 15.255 -8.522 -2.669 1.00 53.35 H new ATOM 0 HA2 GLY A 162 14.374 -6.239 -4.317 1.00 62.04 H new ATOM 0 HA3 GLY A 162 13.985 -7.865 -4.842 1.00 62.04 H new ATOM 1163 N ILE A 163 12.198 -6.210 -3.099 1.00 44.33 N ATOM 1164 CA ILE A 163 11.013 -6.103 -2.259 1.00 10.42 C ATOM 1165 C ILE A 163 9.762 -5.876 -3.099 1.00 52.41 C ATOM 1166 O ILE A 163 9.811 -5.215 -4.138 1.00 62.21 O ATOM 1167 CB ILE A 163 11.148 -4.956 -1.238 1.00 53.12 C ATOM 1168 CG1 ILE A 163 12.424 -5.127 -0.412 1.00 42.45 C ATOM 1169 CG2 ILE A 163 9.927 -4.908 -0.333 1.00 13.32 C ATOM 1170 CD1 ILE A 163 12.686 -3.980 0.539 1.00 72.50 C ATOM 0 H ILE A 163 12.347 -5.416 -3.721 1.00 44.33 H new ATOM 0 HA ILE A 163 10.921 -7.047 -1.722 1.00 10.42 H new ATOM 0 HB ILE A 163 11.213 -4.012 -1.779 1.00 53.12 H new ATOM 0 HG12 ILE A 163 12.356 -6.053 0.159 1.00 42.45 H new ATOM 0 HG13 ILE A 163 13.273 -5.230 -1.087 1.00 42.45 H new ATOM 0 HG21 ILE A 163 10.036 -4.093 0.383 1.00 13.32 H new ATOM 0 HG22 ILE A 163 9.034 -4.744 -0.936 1.00 13.32 H new ATOM 0 HG23 ILE A 163 9.834 -5.852 0.204 1.00 13.32 H new ATOM 0 HD11 ILE A 163 13.606 -4.169 1.092 1.00 72.50 H new ATOM 0 HD12 ILE A 163 12.786 -3.054 -0.027 1.00 72.50 H new ATOM 0 HD13 ILE A 163 11.855 -3.890 1.238 1.00 72.50 H new ATOM 1182 N ILE A 164 8.640 -6.425 -2.643 1.00 43.44 N ATOM 1183 CA ILE A 164 7.376 -6.279 -3.352 1.00 51.14 C ATOM 1184 C ILE A 164 6.247 -5.911 -2.395 1.00 25.51 C ATOM 1185 O ILE A 164 5.982 -6.626 -1.428 1.00 61.01 O ATOM 1186 CB ILE A 164 6.998 -7.570 -4.101 1.00 72.30 C ATOM 1187 CG1 ILE A 164 8.105 -7.960 -5.083 1.00 11.21 C ATOM 1188 CG2 ILE A 164 5.675 -7.392 -4.830 1.00 54.14 C ATOM 1189 CD1 ILE A 164 8.009 -9.390 -5.566 1.00 44.11 C ATOM 0 H ILE A 164 8.582 -6.975 -1.786 1.00 43.44 H new ATOM 0 HA ILE A 164 7.512 -5.475 -4.076 1.00 51.14 H new ATOM 0 HB ILE A 164 6.884 -8.374 -3.373 1.00 72.30 H new ATOM 0 HG12 ILE A 164 8.068 -7.291 -5.943 1.00 11.21 H new ATOM 0 HG13 ILE A 164 9.073 -7.811 -4.604 1.00 11.21 H new ATOM 0 HG21 ILE A 164 5.422 -8.313 -5.355 1.00 54.14 H new ATOM 0 HG22 ILE A 164 4.891 -7.157 -4.110 1.00 54.14 H new ATOM 0 HG23 ILE A 164 5.762 -6.577 -5.549 1.00 54.14 H new ATOM 0 HD11 ILE A 164 8.825 -9.596 -6.258 1.00 44.11 H new ATOM 0 HD12 ILE A 164 8.076 -10.067 -4.714 1.00 44.11 H new ATOM 0 HD13 ILE A 164 7.056 -9.539 -6.074 1.00 44.11 H new ATOM 1201 N HIS A 165 5.586 -4.792 -2.671 1.00 34.45 N ATOM 1202 CA HIS A 165 4.483 -4.330 -1.834 1.00 71.33 C ATOM 1203 C HIS A 165 3.138 -4.703 -2.452 1.00 63.31 C ATOM 1204 O HIS A 165 2.965 -4.643 -3.670 1.00 25.20 O ATOM 1205 CB HIS A 165 4.564 -2.816 -1.636 1.00 61.34 C ATOM 1206 CG HIS A 165 5.962 -2.311 -1.450 1.00 71.52 C ATOM 1207 ND1 HIS A 165 6.757 -1.897 -2.498 1.00 0.35 N ATOM 1208 CD2 HIS A 165 6.705 -2.153 -0.330 1.00 60.43 C ATOM 1209 CE1 HIS A 165 7.930 -1.507 -2.030 1.00 51.42 C ATOM 1210 NE2 HIS A 165 7.924 -1.653 -0.717 1.00 54.21 N ATOM 0 H HIS A 165 5.794 -4.188 -3.466 1.00 34.45 H new ATOM 0 HA HIS A 165 4.566 -4.821 -0.864 1.00 71.33 H new ATOM 0 HB2 HIS A 165 4.119 -2.321 -2.499 1.00 61.34 H new ATOM 0 HB3 HIS A 165 3.968 -2.539 -0.767 1.00 61.34 H new ATOM 0 HD1 HIS A 165 6.483 -1.892 -3.480 1.00 0.35 H new ATOM 0 HD2 HIS A 165 6.397 -2.378 0.680 1.00 60.43 H new ATOM 0 HE1 HIS A 165 8.753 -1.133 -2.620 1.00 51.42 H new ATOM 1218 N THR A 166 2.189 -5.088 -1.605 1.00 45.34 N ATOM 1219 CA THR A 166 0.862 -5.472 -2.069 1.00 12.24 C ATOM 1220 C THR A 166 -0.225 -4.771 -1.262 1.00 53.10 C ATOM 1221 O THR A 166 -0.468 -5.108 -0.103 1.00 75.13 O ATOM 1222 CB THR A 166 0.653 -6.996 -1.975 1.00 13.44 C ATOM 1223 OG1 THR A 166 1.693 -7.584 -1.186 1.00 75.42 O ATOM 1224 CG2 THR A 166 0.639 -7.626 -3.358 1.00 53.12 C ATOM 0 H THR A 166 2.315 -5.142 -0.594 1.00 45.34 H new ATOM 0 HA THR A 166 0.791 -5.167 -3.113 1.00 12.24 H new ATOM 0 HB THR A 166 -0.311 -7.181 -1.500 1.00 13.44 H new ATOM 0 HG1 THR A 166 1.774 -7.099 -0.338 1.00 75.42 H new ATOM 0 HG21 THR A 166 0.490 -8.702 -3.266 1.00 53.12 H new ATOM 0 HG22 THR A 166 -0.172 -7.196 -3.945 1.00 53.12 H new ATOM 0 HG23 THR A 166 1.589 -7.432 -3.856 1.00 53.12 H new ATOM 1232 N LEU A 167 -0.878 -3.794 -1.883 1.00 51.31 N ATOM 1233 CA LEU A 167 -1.942 -3.045 -1.223 1.00 23.32 C ATOM 1234 C LEU A 167 -3.131 -3.947 -0.912 1.00 72.52 C ATOM 1235 O LEU A 167 -3.573 -4.724 -1.760 1.00 63.12 O ATOM 1236 CB LEU A 167 -2.391 -1.876 -2.102 1.00 4.01 C ATOM 1237 CG LEU A 167 -3.669 -1.160 -1.666 1.00 34.30 C ATOM 1238 CD1 LEU A 167 -3.594 -0.782 -0.195 1.00 44.10 C ATOM 1239 CD2 LEU A 167 -3.910 0.073 -2.525 1.00 2.25 C ATOM 0 H LEU A 167 -0.689 -3.502 -2.842 1.00 51.31 H new ATOM 0 HA LEU A 167 -1.549 -2.656 -0.284 1.00 23.32 H new ATOM 0 HB2 LEU A 167 -1.584 -1.145 -2.139 1.00 4.01 H new ATOM 0 HB3 LEU A 167 -2.534 -2.245 -3.118 1.00 4.01 H new ATOM 0 HG LEU A 167 -4.509 -1.842 -1.802 1.00 34.30 H new ATOM 0 HD11 LEU A 167 -4.513 -0.273 0.097 1.00 44.10 H new ATOM 0 HD12 LEU A 167 -3.471 -1.683 0.406 1.00 44.10 H new ATOM 0 HD13 LEU A 167 -2.744 -0.119 -0.033 1.00 44.10 H new ATOM 0 HD21 LEU A 167 -4.824 0.570 -2.200 1.00 2.25 H new ATOM 0 HD22 LEU A 167 -3.068 0.758 -2.422 1.00 2.25 H new ATOM 0 HD23 LEU A 167 -4.010 -0.225 -3.569 1.00 2.25 H new ATOM 1251 N ILE A 168 -3.647 -3.839 0.308 1.00 11.42 N ATOM 1252 CA ILE A 168 -4.787 -4.643 0.729 1.00 31.11 C ATOM 1253 C ILE A 168 -5.794 -3.803 1.508 1.00 53.12 C ATOM 1254 O ILE A 168 -5.523 -3.370 2.628 1.00 4.32 O ATOM 1255 CB ILE A 168 -4.346 -5.833 1.602 1.00 42.02 C ATOM 1256 CG1 ILE A 168 -3.285 -6.661 0.873 1.00 0.25 C ATOM 1257 CG2 ILE A 168 -5.544 -6.699 1.963 1.00 5.45 C ATOM 1258 CD1 ILE A 168 -3.005 -7.996 1.526 1.00 35.35 C ATOM 0 H ILE A 168 -3.293 -3.202 1.022 1.00 11.42 H new ATOM 0 HA ILE A 168 -5.257 -5.023 -0.178 1.00 31.11 H new ATOM 0 HB ILE A 168 -3.911 -5.447 2.524 1.00 42.02 H new ATOM 0 HG12 ILE A 168 -3.610 -6.829 -0.154 1.00 0.25 H new ATOM 0 HG13 ILE A 168 -2.359 -6.088 0.825 1.00 0.25 H new ATOM 0 HG21 ILE A 168 -5.216 -7.535 2.580 1.00 5.45 H new ATOM 0 HG22 ILE A 168 -6.270 -6.103 2.516 1.00 5.45 H new ATOM 0 HG23 ILE A 168 -6.006 -7.080 1.052 1.00 5.45 H new ATOM 0 HD11 ILE A 168 -2.244 -8.528 0.955 1.00 35.35 H new ATOM 0 HD12 ILE A 168 -2.650 -7.836 2.544 1.00 35.35 H new ATOM 0 HD13 ILE A 168 -3.920 -8.588 1.550 1.00 35.35 H new ATOM 1270 N VAL A 169 -6.959 -3.579 0.909 1.00 54.13 N ATOM 1271 CA VAL A 169 -8.009 -2.794 1.546 1.00 10.00 C ATOM 1272 C VAL A 169 -9.222 -3.658 1.869 1.00 34.44 C ATOM 1273 O VAL A 169 -9.782 -4.314 0.991 1.00 43.45 O ATOM 1274 CB VAL A 169 -8.452 -1.619 0.653 1.00 23.03 C ATOM 1275 CG1 VAL A 169 -9.444 -0.733 1.391 1.00 31.13 C ATOM 1276 CG2 VAL A 169 -7.245 -0.815 0.193 1.00 31.11 C ATOM 0 H VAL A 169 -7.200 -3.931 -0.018 1.00 54.13 H new ATOM 0 HA VAL A 169 -7.591 -2.399 2.472 1.00 10.00 H new ATOM 0 HB VAL A 169 -8.948 -2.022 -0.230 1.00 23.03 H new ATOM 0 HG11 VAL A 169 -9.746 0.092 0.745 1.00 31.13 H new ATOM 0 HG12 VAL A 169 -10.321 -1.319 1.665 1.00 31.13 H new ATOM 0 HG13 VAL A 169 -8.977 -0.336 2.292 1.00 31.13 H new ATOM 0 HG21 VAL A 169 -7.576 0.011 -0.437 1.00 31.11 H new ATOM 0 HG22 VAL A 169 -6.718 -0.420 1.062 1.00 31.11 H new ATOM 0 HG23 VAL A 169 -6.574 -1.459 -0.376 1.00 31.11 H new ATOM 1286 N ASP A 170 -9.624 -3.655 3.135 1.00 12.33 N ATOM 1287 CA ASP A 170 -10.772 -4.437 3.576 1.00 35.41 C ATOM 1288 C ASP A 170 -10.517 -5.930 3.390 1.00 13.33 C ATOM 1289 O ASP A 170 -11.389 -6.666 2.932 1.00 63.34 O ATOM 1290 CB ASP A 170 -12.026 -4.022 2.803 1.00 32.32 C ATOM 1291 CG ASP A 170 -13.262 -3.988 3.680 1.00 5.35 C ATOM 1292 OD1 ASP A 170 -13.252 -4.640 4.745 1.00 1.13 O ATOM 1293 OD2 ASP A 170 -14.240 -3.309 3.302 1.00 51.32 O ATOM 0 H ASP A 170 -9.171 -3.119 3.875 1.00 12.33 H new ATOM 0 HA ASP A 170 -10.927 -4.242 4.637 1.00 35.41 H new ATOM 0 HB2 ASP A 170 -11.869 -3.037 2.363 1.00 32.32 H new ATOM 0 HB3 ASP A 170 -12.188 -4.717 1.979 1.00 32.32 H new ATOM 1298 N ASN A 171 -9.315 -6.367 3.749 1.00 63.31 N ATOM 1299 CA ASN A 171 -8.942 -7.772 3.621 1.00 54.20 C ATOM 1300 C ASN A 171 -9.105 -8.248 2.180 1.00 23.33 C ATOM 1301 O ASN A 171 -9.584 -9.354 1.931 1.00 15.21 O ATOM 1302 CB ASN A 171 -9.796 -8.634 4.553 1.00 11.01 C ATOM 1303 CG ASN A 171 -9.283 -8.623 5.980 1.00 33.52 C ATOM 1304 OD1 ASN A 171 -8.088 -8.789 6.224 1.00 64.13 O ATOM 1305 ND2 ASN A 171 -10.188 -8.427 6.933 1.00 70.14 N ATOM 0 H ASN A 171 -8.582 -5.769 4.131 1.00 63.31 H new ATOM 0 HA ASN A 171 -7.894 -7.872 3.903 1.00 54.20 H new ATOM 0 HB2 ASN A 171 -10.825 -8.273 4.536 1.00 11.01 H new ATOM 0 HB3 ASN A 171 -9.812 -9.659 4.183 1.00 11.01 H new ATOM 0 HD21 ASN A 171 -9.902 -8.410 7.912 1.00 70.14 H new ATOM 0 HD22 ASN A 171 -11.169 -8.294 6.686 1.00 70.14 H new ATOM 1312 N ARG A 172 -8.702 -7.405 1.235 1.00 4.12 N ATOM 1313 CA ARG A 172 -8.803 -7.739 -0.181 1.00 4.45 C ATOM 1314 C ARG A 172 -7.545 -7.311 -0.931 1.00 63.43 C ATOM 1315 O ARG A 172 -7.137 -6.152 -0.869 1.00 52.12 O ATOM 1316 CB ARG A 172 -10.031 -7.068 -0.798 1.00 23.21 C ATOM 1317 CG ARG A 172 -11.341 -7.471 -0.141 1.00 65.32 C ATOM 1318 CD ARG A 172 -12.455 -7.618 -1.164 1.00 64.25 C ATOM 1319 NE ARG A 172 -13.709 -8.046 -0.551 1.00 75.20 N ATOM 1320 CZ ARG A 172 -14.801 -8.348 -1.245 1.00 14.04 C ATOM 1321 NH1 ARG A 172 -14.794 -8.269 -2.568 1.00 43.10 N ATOM 1322 NH2 ARG A 172 -15.905 -8.729 -0.614 1.00 30.35 N ATOM 0 H ARG A 172 -8.303 -6.486 1.424 1.00 4.12 H new ATOM 0 HA ARG A 172 -8.907 -8.821 -0.268 1.00 4.45 H new ATOM 0 HB2 ARG A 172 -9.917 -5.986 -0.728 1.00 23.21 H new ATOM 0 HB3 ARG A 172 -10.075 -7.316 -1.859 1.00 23.21 H new ATOM 0 HG2 ARG A 172 -11.208 -8.413 0.391 1.00 65.32 H new ATOM 0 HG3 ARG A 172 -11.623 -6.723 0.600 1.00 65.32 H new ATOM 0 HD2 ARG A 172 -12.607 -6.666 -1.673 1.00 64.25 H new ATOM 0 HD3 ARG A 172 -12.157 -8.342 -1.923 1.00 64.25 H new ATOM 0 HE ARG A 172 -13.749 -8.117 0.466 1.00 75.20 H new ATOM 0 HH11 ARG A 172 -13.948 -7.976 -3.057 1.00 43.10 H new ATOM 0 HH12 ARG A 172 -15.634 -8.502 -3.097 1.00 43.10 H new ATOM 0 HH21 ARG A 172 -15.915 -8.790 0.404 1.00 30.35 H new ATOM 0 HH22 ARG A 172 -16.743 -8.961 -1.147 1.00 30.35 H new ATOM 1336 N GLU A 173 -6.933 -8.257 -1.638 1.00 54.21 N ATOM 1337 CA GLU A 173 -5.721 -7.978 -2.399 1.00 33.01 C ATOM 1338 C GLU A 173 -5.991 -6.951 -3.495 1.00 34.44 C ATOM 1339 O GLU A 173 -7.070 -6.929 -4.087 1.00 11.54 O ATOM 1340 CB GLU A 173 -5.171 -9.266 -3.015 1.00 42.42 C ATOM 1341 CG GLU A 173 -3.730 -9.557 -2.633 1.00 5.34 C ATOM 1342 CD GLU A 173 -3.298 -10.959 -3.011 1.00 65.13 C ATOM 1343 OE1 GLU A 173 -2.882 -11.160 -4.172 1.00 5.22 O ATOM 1344 OE2 GLU A 173 -3.375 -11.857 -2.146 1.00 41.13 O ATOM 0 H GLU A 173 -7.257 -9.222 -1.699 1.00 54.21 H new ATOM 0 HA GLU A 173 -4.979 -7.566 -1.714 1.00 33.01 H new ATOM 0 HB2 GLU A 173 -5.796 -10.103 -2.704 1.00 42.42 H new ATOM 0 HB3 GLU A 173 -5.244 -9.199 -4.101 1.00 42.42 H new ATOM 0 HG2 GLU A 173 -3.076 -8.835 -3.122 1.00 5.34 H new ATOM 0 HG3 GLU A 173 -3.608 -9.421 -1.558 1.00 5.34 H new ATOM 1351 N ILE A 174 -5.003 -6.102 -3.759 1.00 73.22 N ATOM 1352 CA ILE A 174 -5.133 -5.074 -4.783 1.00 61.55 C ATOM 1353 C ILE A 174 -4.031 -5.198 -5.830 1.00 73.14 C ATOM 1354 O ILE A 174 -2.847 -5.311 -5.510 1.00 53.03 O ATOM 1355 CB ILE A 174 -5.088 -3.661 -4.173 1.00 35.35 C ATOM 1356 CG1 ILE A 174 -6.253 -3.466 -3.199 1.00 32.34 C ATOM 1357 CG2 ILE A 174 -5.127 -2.608 -5.269 1.00 2.15 C ATOM 1358 CD1 ILE A 174 -7.200 -2.359 -3.603 1.00 21.24 C ATOM 0 H ILE A 174 -4.104 -6.106 -3.277 1.00 73.22 H new ATOM 0 HA ILE A 174 -6.102 -5.225 -5.258 1.00 61.55 H new ATOM 0 HB ILE A 174 -4.154 -3.549 -3.622 1.00 35.35 H new ATOM 0 HG12 ILE A 174 -6.811 -4.399 -3.121 1.00 32.34 H new ATOM 0 HG13 ILE A 174 -5.855 -3.249 -2.208 1.00 32.34 H new ATOM 0 HG21 ILE A 174 -5.094 -1.615 -4.821 1.00 2.15 H new ATOM 0 HG22 ILE A 174 -4.269 -2.737 -5.928 1.00 2.15 H new ATOM 0 HG23 ILE A 174 -6.046 -2.716 -5.845 1.00 2.15 H new ATOM 0 HD11 ILE A 174 -8.000 -2.278 -2.867 1.00 21.24 H new ATOM 0 HD12 ILE A 174 -6.656 -1.416 -3.653 1.00 21.24 H new ATOM 0 HD13 ILE A 174 -7.627 -2.584 -4.580 1.00 21.24 H new ATOM 1370 N PRO A 175 -4.426 -5.175 -7.111 1.00 71.12 N ATOM 1371 CA PRO A 175 -3.487 -5.281 -8.232 1.00 3.53 C ATOM 1372 C PRO A 175 -2.615 -4.038 -8.376 1.00 71.10 C ATOM 1373 O PRO A 175 -3.095 -2.913 -8.245 1.00 30.43 O ATOM 1374 CB PRO A 175 -4.402 -5.436 -9.449 1.00 30.32 C ATOM 1375 CG PRO A 175 -5.685 -4.795 -9.042 1.00 62.32 C ATOM 1376 CD PRO A 175 -5.821 -5.042 -7.565 1.00 71.31 C ATOM 0 HA PRO A 175 -2.787 -6.106 -8.101 1.00 3.53 H new ATOM 0 HB2 PRO A 175 -3.978 -4.950 -10.328 1.00 30.32 H new ATOM 0 HB3 PRO A 175 -4.547 -6.486 -9.704 1.00 30.32 H new ATOM 0 HG2 PRO A 175 -5.674 -3.727 -9.260 1.00 62.32 H new ATOM 0 HG3 PRO A 175 -6.526 -5.223 -9.588 1.00 62.32 H new ATOM 0 HD2 PRO A 175 -6.329 -4.218 -7.065 1.00 71.31 H new ATOM 0 HD3 PRO A 175 -6.398 -5.944 -7.360 1.00 71.31 H new ATOM 1384 N GLU A 176 -1.331 -4.250 -8.648 1.00 72.43 N ATOM 1385 CA GLU A 176 -0.392 -3.147 -8.809 1.00 52.24 C ATOM 1386 C GLU A 176 -0.364 -2.664 -10.257 1.00 21.32 C ATOM 1387 O GLU A 176 -0.178 -3.455 -11.184 1.00 13.22 O ATOM 1388 CB GLU A 176 1.011 -3.574 -8.376 1.00 4.34 C ATOM 1389 CG GLU A 176 1.876 -2.421 -7.892 1.00 41.25 C ATOM 1390 CD GLU A 176 3.359 -2.693 -8.060 1.00 15.13 C ATOM 1391 OE1 GLU A 176 3.788 -3.829 -7.770 1.00 25.22 O ATOM 1392 OE2 GLU A 176 4.088 -1.771 -8.480 1.00 31.41 O ATOM 0 H GLU A 176 -0.918 -5.176 -8.761 1.00 72.43 H new ATOM 0 HA GLU A 176 -0.725 -2.325 -8.175 1.00 52.24 H new ATOM 0 HB2 GLU A 176 0.927 -4.313 -7.580 1.00 4.34 H new ATOM 0 HB3 GLU A 176 1.508 -4.063 -9.214 1.00 4.34 H new ATOM 0 HG2 GLU A 176 1.612 -1.518 -8.442 1.00 41.25 H new ATOM 0 HG3 GLU A 176 1.663 -2.228 -6.841 1.00 41.25 H new