USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=20 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 122 CYS SG : rot 170:sc= -2.11 USER MOD Set 1.2: A 123 ASN : amide:sc= -0.0669 X(o=-2.2,f=-2.2) USER MOD Set 2.1: A 98 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 118 MET CE :methyl 161:sc= 0 (180deg=0) USER MOD Set 2.3: A 138 THR OG1 : rot -170:sc= 0 USER MOD Set 2.4: A 165 HIS : no HE2:sc= -1.83 X(o=-1.8,f=-1.6) USER MOD Single : A 96 THR OG1 : rot -6:sc= 0.703 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 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) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 MET CE :methyl -105:sc= -4.53 (180deg=-8.51!) USER MOD Single : A 129 THR OG1 : rot -150:sc= -0.0186 USER MOD Single : A 140 THR OG1 : rot 62:sc= 0.63 USER MOD Single : A 141 HIS : no HE2:sc= -0.843 X(o=-0.84,f=-1.2) USER MOD Single : A 143 SER OG : rot 180:sc= 0.0408 USER MOD Single : A 146 ASN : amide:sc= 0.0203 X(o=0.02,f=0) USER MOD Single : A 147 HIS :FLIP no HD1:sc= -0.135 F(o=-1,f=-0.13) USER MOD Single : A 149 CYS SG : rot 180:sc= -3.55! USER MOD Single : A 150 TYR OH : rot 180:sc= -0.277 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 180:sc= 0 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 52:sc= 1.14 USER MOD Single : A 171 ASN : amide:sc= 0 X(o=0,f=0.043) USER MOD ----------------------------------------------------------------- ATOM 145 N THR A 96 11.036 0.350 -7.818 1.00 11.51 N ATOM 146 CA THR A 96 11.308 1.780 -7.743 1.00 13.11 C ATOM 147 C THR A 96 10.089 2.545 -7.238 1.00 54.21 C ATOM 148 O THR A 96 10.209 3.451 -6.411 1.00 73.23 O ATOM 149 CB THR A 96 11.724 2.346 -9.113 1.00 12.33 C ATOM 150 OG1 THR A 96 11.412 1.407 -10.147 1.00 71.32 O ATOM 151 CG2 THR A 96 13.212 2.660 -9.139 1.00 2.44 C ATOM 0 HA THR A 96 12.132 1.909 -7.041 1.00 13.11 H new ATOM 0 HB THR A 96 11.170 3.269 -9.283 1.00 12.33 H new ATOM 0 HG1 THR A 96 11.092 0.572 -9.745 1.00 71.32 H new ATOM 0 HG21 THR A 96 13.483 3.059 -10.117 1.00 2.44 H new ATOM 0 HG22 THR A 96 13.442 3.398 -8.370 1.00 2.44 H new ATOM 0 HG23 THR A 96 13.779 1.749 -8.949 1.00 2.44 H new ATOM 159 N THR A 97 8.915 2.177 -7.742 1.00 72.41 N ATOM 160 CA THR A 97 7.673 2.829 -7.343 1.00 4.12 C ATOM 161 C THR A 97 6.467 1.947 -7.642 1.00 64.55 C ATOM 162 O THR A 97 6.300 1.467 -8.764 1.00 22.54 O ATOM 163 CB THR A 97 7.496 4.182 -8.057 1.00 34.01 C ATOM 164 OG1 THR A 97 8.057 4.118 -9.373 1.00 11.50 O ATOM 165 CG2 THR A 97 8.159 5.301 -7.270 1.00 51.41 C ATOM 0 H THR A 97 8.798 1.431 -8.427 1.00 72.41 H new ATOM 0 HA THR A 97 7.736 2.999 -6.268 1.00 4.12 H new ATOM 0 HB THR A 97 6.429 4.394 -8.128 1.00 34.01 H new ATOM 0 HG1 THR A 97 7.939 4.981 -9.821 1.00 11.50 H new ATOM 0 HG21 THR A 97 8.020 6.246 -7.795 1.00 51.41 H new ATOM 0 HG22 THR A 97 7.708 5.366 -6.280 1.00 51.41 H new ATOM 0 HG23 THR A 97 9.225 5.094 -7.171 1.00 51.41 H new ATOM 173 N SER A 98 5.629 1.735 -6.632 1.00 63.11 N ATOM 174 CA SER A 98 4.440 0.907 -6.787 1.00 12.13 C ATOM 175 C SER A 98 3.181 1.766 -6.830 1.00 15.43 C ATOM 176 O SER A 98 3.156 2.881 -6.305 1.00 64.21 O ATOM 177 CB SER A 98 4.343 -0.103 -5.642 1.00 10.03 C ATOM 178 OG SER A 98 5.054 -1.290 -5.946 1.00 71.23 O ATOM 0 H SER A 98 5.752 2.126 -5.698 1.00 63.11 H new ATOM 0 HA SER A 98 4.524 0.369 -7.731 1.00 12.13 H new ATOM 0 HB2 SER A 98 4.741 0.339 -4.729 1.00 10.03 H new ATOM 0 HB3 SER A 98 3.297 -0.341 -5.451 1.00 10.03 H new ATOM 0 HG SER A 98 4.977 -1.918 -5.198 1.00 71.23 H new ATOM 184 N THR A 99 2.134 1.242 -7.458 1.00 52.45 N ATOM 185 CA THR A 99 0.871 1.960 -7.572 1.00 13.02 C ATOM 186 C THR A 99 -0.314 1.004 -7.503 1.00 15.31 C ATOM 187 O THR A 99 -0.188 -0.179 -7.822 1.00 53.52 O ATOM 188 CB THR A 99 0.795 2.759 -8.887 1.00 0.53 C ATOM 189 OG1 THR A 99 0.958 1.880 -10.006 1.00 22.15 O ATOM 190 CG2 THR A 99 1.864 3.841 -8.925 1.00 44.22 C ATOM 0 H THR A 99 2.136 0.321 -7.896 1.00 52.45 H new ATOM 0 HA THR A 99 0.825 2.652 -6.731 1.00 13.02 H new ATOM 0 HB THR A 99 -0.184 3.235 -8.941 1.00 0.53 H new ATOM 0 HG1 THR A 99 0.907 2.396 -10.838 1.00 22.15 H new ATOM 0 HG21 THR A 99 1.791 4.392 -9.863 1.00 44.22 H new ATOM 0 HG22 THR A 99 1.719 4.526 -8.089 1.00 44.22 H new ATOM 0 HG23 THR A 99 2.850 3.382 -8.850 1.00 44.22 H new ATOM 198 N TRP A 100 -1.464 1.523 -7.087 1.00 22.23 N ATOM 199 CA TRP A 100 -2.672 0.714 -6.976 1.00 74.25 C ATOM 200 C TRP A 100 -3.919 1.567 -7.178 1.00 21.13 C ATOM 201 O TRP A 100 -4.042 2.649 -6.603 1.00 51.34 O ATOM 202 CB TRP A 100 -2.726 0.023 -5.613 1.00 24.44 C ATOM 203 CG TRP A 100 -1.536 -0.846 -5.339 1.00 65.43 C ATOM 204 CD1 TRP A 100 -1.329 -2.119 -5.790 1.00 12.10 C ATOM 205 CD2 TRP A 100 -0.390 -0.506 -4.552 1.00 21.20 C ATOM 206 NE1 TRP A 100 -0.123 -2.591 -5.329 1.00 52.44 N ATOM 207 CE2 TRP A 100 0.473 -1.620 -4.569 1.00 33.43 C ATOM 208 CE3 TRP A 100 -0.006 0.630 -3.835 1.00 14.02 C ATOM 209 CZ2 TRP A 100 1.691 -1.628 -3.896 1.00 31.31 C ATOM 210 CZ3 TRP A 100 1.203 0.621 -3.167 1.00 41.41 C ATOM 211 CH2 TRP A 100 2.041 -0.501 -3.202 1.00 72.43 C ATOM 0 H TRP A 100 -1.585 2.500 -6.821 1.00 22.23 H new ATOM 0 HA TRP A 100 -2.643 -0.045 -7.758 1.00 74.25 H new ATOM 0 HB2 TRP A 100 -2.801 0.780 -4.833 1.00 24.44 H new ATOM 0 HB3 TRP A 100 -3.630 -0.583 -5.557 1.00 24.44 H new ATOM 0 HD1 TRP A 100 -2.012 -2.673 -6.417 1.00 12.10 H new ATOM 0 HE1 TRP A 100 0.265 -3.514 -5.522 1.00 52.44 H new ATOM 0 HE3 TRP A 100 -0.644 1.501 -3.804 1.00 14.02 H new ATOM 0 HZ2 TRP A 100 2.337 -2.493 -3.920 1.00 31.31 H new ATOM 0 HZ3 TRP A 100 1.507 1.494 -2.608 1.00 41.41 H new ATOM 0 HH2 TRP A 100 2.981 -0.476 -2.671 1.00 72.43 H new ATOM 222 N VAL A 101 -4.843 1.074 -7.996 1.00 51.11 N ATOM 223 CA VAL A 101 -6.082 1.793 -8.272 1.00 61.32 C ATOM 224 C VAL A 101 -7.285 1.051 -7.700 1.00 52.24 C ATOM 225 O VAL A 101 -7.611 -0.055 -8.135 1.00 24.22 O ATOM 226 CB VAL A 101 -6.288 1.995 -9.784 1.00 52.21 C ATOM 227 CG1 VAL A 101 -7.470 2.918 -10.043 1.00 22.03 C ATOM 228 CG2 VAL A 101 -5.023 2.543 -10.426 1.00 33.13 C ATOM 0 H VAL A 101 -4.758 0.180 -8.479 1.00 51.11 H new ATOM 0 HA VAL A 101 -5.998 2.768 -7.792 1.00 61.32 H new ATOM 0 HB VAL A 101 -6.507 1.027 -10.236 1.00 52.21 H new ATOM 0 HG11 VAL A 101 -7.601 3.049 -11.117 1.00 22.03 H new ATOM 0 HG12 VAL A 101 -8.373 2.480 -9.618 1.00 22.03 H new ATOM 0 HG13 VAL A 101 -7.284 3.887 -9.579 1.00 22.03 H new ATOM 0 HG21 VAL A 101 -5.187 2.679 -11.495 1.00 33.13 H new ATOM 0 HG22 VAL A 101 -4.771 3.501 -9.972 1.00 33.13 H new ATOM 0 HG23 VAL A 101 -4.203 1.841 -10.272 1.00 33.13 H new ATOM 238 N LEU A 102 -7.944 1.666 -6.724 1.00 42.41 N ATOM 239 CA LEU A 102 -9.113 1.065 -6.093 1.00 24.45 C ATOM 240 C LEU A 102 -10.190 2.113 -5.832 1.00 34.13 C ATOM 241 O LEU A 102 -9.886 3.269 -5.535 1.00 31.20 O ATOM 242 CB LEU A 102 -8.716 0.387 -4.780 1.00 73.11 C ATOM 243 CG LEU A 102 -8.334 1.321 -3.631 1.00 42.42 C ATOM 244 CD1 LEU A 102 -8.976 0.860 -2.332 1.00 42.41 C ATOM 245 CD2 LEU A 102 -6.821 1.394 -3.484 1.00 2.44 C ATOM 0 H LEU A 102 -7.688 2.581 -6.353 1.00 42.41 H new ATOM 0 HA LEU A 102 -9.518 0.316 -6.774 1.00 24.45 H new ATOM 0 HB2 LEU A 102 -9.546 -0.239 -4.452 1.00 73.11 H new ATOM 0 HB3 LEU A 102 -7.874 -0.277 -4.977 1.00 73.11 H new ATOM 0 HG LEU A 102 -8.705 2.320 -3.861 1.00 42.42 H new ATOM 0 HD11 LEU A 102 -8.693 1.537 -1.526 1.00 42.41 H new ATOM 0 HD12 LEU A 102 -10.060 0.860 -2.442 1.00 42.41 H new ATOM 0 HD13 LEU A 102 -8.636 -0.148 -2.096 1.00 42.41 H new ATOM 0 HD21 LEU A 102 -6.567 2.063 -2.662 1.00 2.44 H new ATOM 0 HD22 LEU A 102 -6.427 0.399 -3.277 1.00 2.44 H new ATOM 0 HD23 LEU A 102 -6.384 1.772 -4.408 1.00 2.44 H new ATOM 257 N ARG A 103 -11.448 1.700 -5.942 1.00 14.52 N ATOM 258 CA ARG A 103 -12.571 2.604 -5.717 1.00 24.23 C ATOM 259 C ARG A 103 -12.753 2.884 -4.228 1.00 21.00 C ATOM 260 O ARG A 103 -13.435 2.140 -3.524 1.00 32.45 O ATOM 261 CB ARG A 103 -13.856 2.008 -6.295 1.00 2.25 C ATOM 262 CG ARG A 103 -14.823 3.052 -6.830 1.00 32.43 C ATOM 263 CD ARG A 103 -16.244 2.514 -6.891 1.00 40.12 C ATOM 264 NE ARG A 103 -16.696 2.319 -8.267 1.00 10.42 N ATOM 265 CZ ARG A 103 -16.955 3.317 -9.103 1.00 55.34 C ATOM 266 NH1 ARG A 103 -16.808 4.574 -8.707 1.00 23.32 N ATOM 267 NH2 ARG A 103 -17.363 3.060 -10.340 1.00 11.04 N ATOM 0 H ARG A 103 -11.716 0.746 -6.185 1.00 14.52 H new ATOM 0 HA ARG A 103 -12.355 3.545 -6.223 1.00 24.23 H new ATOM 0 HB2 ARG A 103 -13.598 1.318 -7.099 1.00 2.25 H new ATOM 0 HB3 ARG A 103 -14.356 1.424 -5.522 1.00 2.25 H new ATOM 0 HG2 ARG A 103 -14.794 3.936 -6.193 1.00 32.43 H new ATOM 0 HG3 ARG A 103 -14.508 3.365 -7.825 1.00 32.43 H new ATOM 0 HD2 ARG A 103 -16.297 1.567 -6.354 1.00 40.12 H new ATOM 0 HD3 ARG A 103 -16.916 3.206 -6.383 1.00 40.12 H new ATOM 0 HE ARG A 103 -16.819 1.364 -8.603 1.00 10.42 H new ATOM 0 HH11 ARG A 103 -16.495 4.776 -7.758 1.00 23.32 H new ATOM 0 HH12 ARG A 103 -17.008 5.339 -9.352 1.00 23.32 H new ATOM 0 HH21 ARG A 103 -17.478 2.095 -10.649 1.00 11.04 H new ATOM 0 HH22 ARG A 103 -17.562 3.828 -10.981 1.00 11.04 H new ATOM 281 N LEU A 104 -12.137 3.962 -3.755 1.00 55.40 N ATOM 282 CA LEU A 104 -12.231 4.342 -2.350 1.00 11.12 C ATOM 283 C LEU A 104 -12.735 5.774 -2.204 1.00 51.52 C ATOM 284 O LEU A 104 -12.555 6.600 -3.100 1.00 31.53 O ATOM 285 CB LEU A 104 -10.868 4.198 -1.670 1.00 61.24 C ATOM 286 CG LEU A 104 -10.892 3.773 -0.201 1.00 41.50 C ATOM 287 CD1 LEU A 104 -9.786 2.769 0.082 1.00 24.21 C ATOM 288 CD2 LEU A 104 -10.758 4.987 0.707 1.00 64.52 C ATOM 0 H LEU A 104 -11.567 4.588 -4.324 1.00 55.40 H new ATOM 0 HA LEU A 104 -12.945 3.675 -1.867 1.00 11.12 H new ATOM 0 HB2 LEU A 104 -10.281 3.469 -2.229 1.00 61.24 H new ATOM 0 HB3 LEU A 104 -10.345 5.152 -1.743 1.00 61.24 H new ATOM 0 HG LEU A 104 -11.850 3.295 0.004 1.00 41.50 H new ATOM 0 HD11 LEU A 104 -9.819 2.478 1.132 1.00 24.21 H new ATOM 0 HD12 LEU A 104 -9.926 1.887 -0.543 1.00 24.21 H new ATOM 0 HD13 LEU A 104 -8.819 3.221 -0.139 1.00 24.21 H new ATOM 0 HD21 LEU A 104 -10.777 4.666 1.749 1.00 64.52 H new ATOM 0 HD22 LEU A 104 -9.815 5.494 0.500 1.00 64.52 H new ATOM 0 HD23 LEU A 104 -11.586 5.672 0.523 1.00 64.52 H new ATOM 300 N ASP A 105 -13.364 6.063 -1.071 1.00 71.20 N ATOM 301 CA ASP A 105 -13.891 7.397 -0.806 1.00 61.05 C ATOM 302 C ASP A 105 -15.003 7.746 -1.791 1.00 13.21 C ATOM 303 O ASP A 105 -15.383 8.909 -1.926 1.00 51.10 O ATOM 304 CB ASP A 105 -12.772 8.436 -0.891 1.00 20.24 C ATOM 305 CG ASP A 105 -13.019 9.626 0.016 1.00 43.33 C ATOM 306 OD1 ASP A 105 -12.606 9.571 1.193 1.00 73.40 O ATOM 307 OD2 ASP A 105 -13.622 10.614 -0.454 1.00 22.14 O ATOM 0 H ASP A 105 -13.522 5.391 -0.320 1.00 71.20 H new ATOM 0 HA ASP A 105 -14.307 7.404 0.202 1.00 61.05 H new ATOM 0 HB2 ASP A 105 -11.825 7.969 -0.623 1.00 20.24 H new ATOM 0 HB3 ASP A 105 -12.677 8.781 -1.921 1.00 20.24 H new ATOM 312 N GLY A 106 -15.520 6.732 -2.478 1.00 1.12 N ATOM 313 CA GLY A 106 -16.581 6.953 -3.441 1.00 74.24 C ATOM 314 C GLY A 106 -16.051 7.292 -4.821 1.00 60.40 C ATOM 315 O GLY A 106 -16.824 7.533 -5.748 1.00 32.23 O ATOM 0 H GLY A 106 -15.222 5.761 -2.384 1.00 1.12 H new ATOM 0 HA2 GLY A 106 -17.203 6.060 -3.503 1.00 74.24 H new ATOM 0 HA3 GLY A 106 -17.221 7.763 -3.092 1.00 74.24 H new ATOM 319 N GLU A 107 -14.729 7.311 -4.956 1.00 51.52 N ATOM 320 CA GLU A 107 -14.097 7.626 -6.232 1.00 41.43 C ATOM 321 C GLU A 107 -12.888 6.727 -6.477 1.00 1.44 C ATOM 322 O GLU A 107 -12.483 5.964 -5.601 1.00 65.32 O ATOM 323 CB GLU A 107 -13.670 9.095 -6.266 1.00 54.42 C ATOM 324 CG GLU A 107 -14.581 9.974 -7.106 1.00 11.42 C ATOM 325 CD GLU A 107 -14.277 11.451 -6.944 1.00 55.14 C ATOM 326 OE1 GLU A 107 -13.171 11.877 -7.334 1.00 45.14 O ATOM 327 OE2 GLU A 107 -15.150 12.182 -6.427 1.00 44.12 O ATOM 0 H GLU A 107 -14.075 7.112 -4.199 1.00 51.52 H new ATOM 0 HA GLU A 107 -14.826 7.449 -7.023 1.00 41.43 H new ATOM 0 HB2 GLU A 107 -13.645 9.481 -5.247 1.00 54.42 H new ATOM 0 HB3 GLU A 107 -12.655 9.161 -6.657 1.00 54.42 H new ATOM 0 HG2 GLU A 107 -14.479 9.699 -8.156 1.00 11.42 H new ATOM 0 HG3 GLU A 107 -15.618 9.787 -6.827 1.00 11.42 H new ATOM 334 N ASP A 108 -12.318 6.825 -7.673 1.00 12.42 N ATOM 335 CA ASP A 108 -11.156 6.023 -8.034 1.00 4.02 C ATOM 336 C ASP A 108 -9.922 6.474 -7.259 1.00 44.43 C ATOM 337 O ASP A 108 -9.157 7.319 -7.727 1.00 3.32 O ATOM 338 CB ASP A 108 -10.893 6.116 -9.538 1.00 23.31 C ATOM 339 CG ASP A 108 -11.513 4.966 -10.306 1.00 54.52 C ATOM 340 OD1 ASP A 108 -11.284 3.801 -9.920 1.00 11.13 O ATOM 341 OD2 ASP A 108 -12.229 5.233 -11.295 1.00 62.51 O ATOM 0 H ASP A 108 -12.642 7.452 -8.409 1.00 12.42 H new ATOM 0 HA ASP A 108 -11.366 4.986 -7.774 1.00 4.02 H new ATOM 0 HB2 ASP A 108 -11.291 7.058 -9.916 1.00 23.31 H new ATOM 0 HB3 ASP A 108 -9.818 6.130 -9.716 1.00 23.31 H new ATOM 346 N LEU A 109 -9.734 5.908 -6.073 1.00 63.12 N ATOM 347 CA LEU A 109 -8.592 6.253 -5.232 1.00 14.12 C ATOM 348 C LEU A 109 -7.295 5.715 -5.827 1.00 32.41 C ATOM 349 O LEU A 109 -7.188 4.527 -6.134 1.00 42.34 O ATOM 350 CB LEU A 109 -8.788 5.698 -3.820 1.00 32.32 C ATOM 351 CG LEU A 109 -7.973 6.371 -2.716 1.00 1.43 C ATOM 352 CD1 LEU A 109 -8.864 7.258 -1.859 1.00 23.44 C ATOM 353 CD2 LEU A 109 -7.273 5.327 -1.858 1.00 12.15 C ATOM 0 H LEU A 109 -10.357 5.208 -5.671 1.00 63.12 H new ATOM 0 HA LEU A 109 -8.523 7.340 -5.183 1.00 14.12 H new ATOM 0 HB2 LEU A 109 -9.844 5.777 -3.564 1.00 32.32 H new ATOM 0 HB3 LEU A 109 -8.541 4.636 -3.831 1.00 32.32 H new ATOM 0 HG LEU A 109 -7.213 6.998 -3.183 1.00 1.43 H new ATOM 0 HD11 LEU A 109 -8.266 7.729 -1.078 1.00 23.44 H new ATOM 0 HD12 LEU A 109 -9.318 8.028 -2.482 1.00 23.44 H new ATOM 0 HD13 LEU A 109 -9.647 6.653 -1.401 1.00 23.44 H new ATOM 0 HD21 LEU A 109 -6.697 5.824 -1.077 1.00 12.15 H new ATOM 0 HD22 LEU A 109 -8.016 4.674 -1.401 1.00 12.15 H new ATOM 0 HD23 LEU A 109 -6.603 4.734 -2.481 1.00 12.15 H new ATOM 365 N ARG A 110 -6.313 6.595 -5.984 1.00 43.15 N ATOM 366 CA ARG A 110 -5.022 6.208 -6.542 1.00 53.11 C ATOM 367 C ARG A 110 -3.946 6.192 -5.460 1.00 22.52 C ATOM 368 O ARG A 110 -3.611 7.228 -4.886 1.00 52.22 O ATOM 369 CB ARG A 110 -4.619 7.168 -7.663 1.00 22.32 C ATOM 370 CG ARG A 110 -3.580 6.593 -8.612 1.00 4.43 C ATOM 371 CD ARG A 110 -3.752 7.136 -10.022 1.00 71.53 C ATOM 372 NE ARG A 110 -4.767 6.399 -10.771 1.00 31.41 N ATOM 373 CZ ARG A 110 -4.859 6.415 -12.096 1.00 41.25 C ATOM 374 NH1 ARG A 110 -4.000 7.127 -12.814 1.00 32.11 N ATOM 375 NH2 ARG A 110 -5.810 5.719 -12.705 1.00 42.05 N ATOM 0 H ARG A 110 -6.386 7.581 -5.733 1.00 43.15 H new ATOM 0 HA ARG A 110 -5.117 5.202 -6.951 1.00 53.11 H new ATOM 0 HB2 ARG A 110 -5.507 7.442 -8.233 1.00 22.32 H new ATOM 0 HB3 ARG A 110 -4.228 8.085 -7.222 1.00 22.32 H new ATOM 0 HG2 ARG A 110 -2.581 6.833 -8.248 1.00 4.43 H new ATOM 0 HG3 ARG A 110 -3.661 5.506 -8.627 1.00 4.43 H new ATOM 0 HD2 ARG A 110 -4.030 8.189 -9.974 1.00 71.53 H new ATOM 0 HD3 ARG A 110 -2.800 7.081 -10.550 1.00 71.53 H new ATOM 0 HE ARG A 110 -5.442 5.842 -10.248 1.00 31.41 H new ATOM 0 HH11 ARG A 110 -3.268 7.663 -12.349 1.00 32.11 H new ATOM 0 HH12 ARG A 110 -4.072 7.138 -13.831 1.00 32.11 H new ATOM 0 HH21 ARG A 110 -6.472 5.171 -12.156 1.00 42.05 H new ATOM 0 HH22 ARG A 110 -5.879 5.732 -13.723 1.00 42.05 H new ATOM 389 N VAL A 111 -3.409 5.007 -5.186 1.00 31.23 N ATOM 390 CA VAL A 111 -2.371 4.854 -4.173 1.00 10.31 C ATOM 391 C VAL A 111 -1.010 4.610 -4.815 1.00 20.24 C ATOM 392 O VAL A 111 -0.890 3.846 -5.773 1.00 73.45 O ATOM 393 CB VAL A 111 -2.689 3.694 -3.213 1.00 72.52 C ATOM 394 CG1 VAL A 111 -2.410 4.099 -1.773 1.00 71.04 C ATOM 395 CG2 VAL A 111 -4.134 3.246 -3.379 1.00 0.55 C ATOM 0 H VAL A 111 -3.676 4.139 -5.651 1.00 31.23 H new ATOM 0 HA VAL A 111 -2.342 5.785 -3.607 1.00 10.31 H new ATOM 0 HB VAL A 111 -2.041 2.853 -3.460 1.00 72.52 H new ATOM 0 HG11 VAL A 111 -2.641 3.266 -1.109 1.00 71.04 H new ATOM 0 HG12 VAL A 111 -1.359 4.366 -1.667 1.00 71.04 H new ATOM 0 HG13 VAL A 111 -3.030 4.956 -1.509 1.00 71.04 H new ATOM 0 HG21 VAL A 111 -4.342 2.425 -2.693 1.00 0.55 H new ATOM 0 HG22 VAL A 111 -4.801 4.080 -3.160 1.00 0.55 H new ATOM 0 HG23 VAL A 111 -4.296 2.912 -4.404 1.00 0.55 H new ATOM 405 N VAL A 112 0.017 5.264 -4.280 1.00 20.42 N ATOM 406 CA VAL A 112 1.372 5.116 -4.798 1.00 52.44 C ATOM 407 C VAL A 112 2.380 4.957 -3.666 1.00 74.34 C ATOM 408 O VAL A 112 2.409 5.756 -2.729 1.00 70.12 O ATOM 409 CB VAL A 112 1.776 6.324 -5.665 1.00 51.13 C ATOM 410 CG1 VAL A 112 3.209 6.176 -6.153 1.00 54.31 C ATOM 411 CG2 VAL A 112 0.818 6.483 -6.836 1.00 10.40 C ATOM 0 H VAL A 112 -0.064 5.901 -3.488 1.00 20.42 H new ATOM 0 HA VAL A 112 1.379 4.217 -5.414 1.00 52.44 H new ATOM 0 HB VAL A 112 1.718 7.224 -5.053 1.00 51.13 H new ATOM 0 HG11 VAL A 112 3.476 7.038 -6.764 1.00 54.31 H new ATOM 0 HG12 VAL A 112 3.881 6.115 -5.297 1.00 54.31 H new ATOM 0 HG13 VAL A 112 3.298 5.268 -6.749 1.00 54.31 H new ATOM 0 HG21 VAL A 112 1.118 7.341 -7.438 1.00 10.40 H new ATOM 0 HG22 VAL A 112 0.842 5.583 -7.450 1.00 10.40 H new ATOM 0 HG23 VAL A 112 -0.193 6.639 -6.460 1.00 10.40 H new ATOM 421 N LEU A 113 3.205 3.920 -3.758 1.00 24.33 N ATOM 422 CA LEU A 113 4.217 3.656 -2.741 1.00 72.22 C ATOM 423 C LEU A 113 5.618 3.916 -3.285 1.00 70.54 C ATOM 424 O LEU A 113 6.160 3.108 -4.040 1.00 72.10 O ATOM 425 CB LEU A 113 4.108 2.211 -2.249 1.00 63.33 C ATOM 426 CG LEU A 113 5.229 1.729 -1.328 1.00 3.41 C ATOM 427 CD1 LEU A 113 5.659 2.841 -0.383 1.00 50.13 C ATOM 428 CD2 LEU A 113 4.787 0.503 -0.545 1.00 34.54 C ATOM 0 H LEU A 113 3.193 3.249 -4.526 1.00 24.33 H new ATOM 0 HA LEU A 113 4.042 4.333 -1.905 1.00 72.22 H new ATOM 0 HB2 LEU A 113 3.160 2.098 -1.724 1.00 63.33 H new ATOM 0 HB3 LEU A 113 4.071 1.554 -3.118 1.00 63.33 H new ATOM 0 HG LEU A 113 6.085 1.452 -1.944 1.00 3.41 H new ATOM 0 HD11 LEU A 113 6.458 2.479 0.265 1.00 50.13 H new ATOM 0 HD12 LEU A 113 6.018 3.692 -0.962 1.00 50.13 H new ATOM 0 HD13 LEU A 113 4.809 3.150 0.226 1.00 50.13 H new ATOM 0 HD21 LEU A 113 5.598 0.174 0.105 1.00 34.54 H new ATOM 0 HD22 LEU A 113 3.915 0.752 0.060 1.00 34.54 H new ATOM 0 HD23 LEU A 113 4.530 -0.298 -1.238 1.00 34.54 H new ATOM 440 N GLU A 114 6.199 5.047 -2.896 1.00 75.45 N ATOM 441 CA GLU A 114 7.537 5.410 -3.346 1.00 14.13 C ATOM 442 C GLU A 114 8.600 4.639 -2.568 1.00 4.34 C ATOM 443 O GLU A 114 8.529 4.523 -1.344 1.00 44.45 O ATOM 444 CB GLU A 114 7.762 6.915 -3.183 1.00 33.00 C ATOM 445 CG GLU A 114 8.225 7.603 -4.456 1.00 64.22 C ATOM 446 CD GLU A 114 7.603 8.973 -4.639 1.00 62.11 C ATOM 447 OE1 GLU A 114 7.986 9.902 -3.897 1.00 10.12 O ATOM 448 OE2 GLU A 114 6.734 9.117 -5.523 1.00 41.52 O ATOM 0 H GLU A 114 5.764 5.726 -2.271 1.00 75.45 H new ATOM 0 HA GLU A 114 7.622 5.149 -4.401 1.00 14.13 H new ATOM 0 HB2 GLU A 114 6.834 7.378 -2.847 1.00 33.00 H new ATOM 0 HB3 GLU A 114 8.503 7.080 -2.401 1.00 33.00 H new ATOM 0 HG2 GLU A 114 9.310 7.701 -4.437 1.00 64.22 H new ATOM 0 HG3 GLU A 114 7.976 6.978 -5.313 1.00 64.22 H new ATOM 455 N LYS A 115 9.586 4.113 -3.288 1.00 35.02 N ATOM 456 CA LYS A 115 10.665 3.353 -2.669 1.00 11.13 C ATOM 457 C LYS A 115 11.618 4.276 -1.916 1.00 53.53 C ATOM 458 O LYS A 115 12.399 3.828 -1.078 1.00 3.21 O ATOM 459 CB LYS A 115 11.434 2.563 -3.730 1.00 14.12 C ATOM 460 CG LYS A 115 10.720 1.301 -4.184 1.00 42.34 C ATOM 461 CD LYS A 115 11.291 0.064 -3.512 1.00 24.03 C ATOM 462 CE LYS A 115 12.697 -0.239 -4.007 1.00 44.12 C ATOM 463 NZ LYS A 115 13.134 -1.612 -3.630 1.00 34.41 N ATOM 0 H LYS A 115 9.660 4.200 -4.302 1.00 35.02 H new ATOM 0 HA LYS A 115 10.223 2.657 -1.956 1.00 11.13 H new ATOM 0 HB2 LYS A 115 11.606 3.204 -4.595 1.00 14.12 H new ATOM 0 HB3 LYS A 115 12.413 2.294 -3.333 1.00 14.12 H new ATOM 0 HG2 LYS A 115 9.657 1.382 -3.957 1.00 42.34 H new ATOM 0 HG3 LYS A 115 10.808 1.202 -5.266 1.00 42.34 H new ATOM 0 HD2 LYS A 115 11.308 0.210 -2.432 1.00 24.03 H new ATOM 0 HD3 LYS A 115 10.643 -0.790 -3.708 1.00 24.03 H new ATOM 0 HE2 LYS A 115 12.731 -0.132 -5.091 1.00 44.12 H new ATOM 0 HE3 LYS A 115 13.393 0.490 -3.592 1.00 44.12 H new ATOM 0 HZ1 LYS A 115 14.097 -1.780 -3.985 1.00 34.41 H new ATOM 0 HZ2 LYS A 115 13.126 -1.707 -2.594 1.00 34.41 H new ATOM 0 HZ3 LYS A 115 12.485 -2.310 -4.047 1.00 34.41 H new ATOM 477 N ASP A 116 11.547 5.567 -2.222 1.00 43.34 N ATOM 478 CA ASP A 116 12.403 6.555 -1.573 1.00 71.13 C ATOM 479 C ASP A 116 12.325 6.427 -0.055 1.00 41.24 C ATOM 480 O ASP A 116 13.344 6.269 0.619 1.00 61.34 O ATOM 481 CB ASP A 116 12.002 7.967 -2.000 1.00 41.51 C ATOM 482 CG ASP A 116 12.858 8.494 -3.136 1.00 31.21 C ATOM 483 OD1 ASP A 116 14.028 8.847 -2.882 1.00 43.14 O ATOM 484 OD2 ASP A 116 12.357 8.552 -4.278 1.00 12.13 O ATOM 0 H ASP A 116 10.906 5.954 -2.915 1.00 43.34 H new ATOM 0 HA ASP A 116 13.431 6.369 -1.883 1.00 71.13 H new ATOM 0 HB2 ASP A 116 10.956 7.967 -2.307 1.00 41.51 H new ATOM 0 HB3 ASP A 116 12.084 8.639 -1.146 1.00 41.51 H new ATOM 489 N THR A 117 11.110 6.498 0.478 1.00 35.11 N ATOM 490 CA THR A 117 10.899 6.393 1.917 1.00 74.13 C ATOM 491 C THR A 117 9.757 5.434 2.236 1.00 22.51 C ATOM 492 O THR A 117 9.221 5.440 3.343 1.00 23.22 O ATOM 493 CB THR A 117 10.590 7.766 2.541 1.00 53.21 C ATOM 494 OG1 THR A 117 10.872 8.807 1.599 1.00 71.04 O ATOM 495 CG2 THR A 117 11.410 7.983 3.804 1.00 41.42 C ATOM 0 H THR A 117 10.256 6.628 -0.065 1.00 35.11 H new ATOM 0 HA THR A 117 11.824 6.008 2.345 1.00 74.13 H new ATOM 0 HB THR A 117 9.533 7.791 2.804 1.00 53.21 H new ATOM 0 HG1 THR A 117 10.671 9.677 2.003 1.00 71.04 H new ATOM 0 HG21 THR A 117 11.175 8.960 4.227 1.00 41.42 H new ATOM 0 HG22 THR A 117 11.172 7.206 4.530 1.00 41.42 H new ATOM 0 HG23 THR A 117 12.472 7.939 3.561 1.00 41.42 H new ATOM 503 N MET A 118 9.390 4.611 1.258 1.00 21.35 N ATOM 504 CA MET A 118 8.313 3.644 1.439 1.00 45.54 C ATOM 505 C MET A 118 7.044 4.331 1.933 1.00 73.41 C ATOM 506 O MET A 118 6.262 3.745 2.682 1.00 43.23 O ATOM 507 CB MET A 118 8.736 2.555 2.425 1.00 22.51 C ATOM 508 CG MET A 118 7.913 1.282 2.314 1.00 33.11 C ATOM 509 SD MET A 118 8.399 0.032 3.519 1.00 0.14 S ATOM 510 CE MET A 118 8.906 -1.302 2.437 1.00 32.04 C ATOM 0 H MET A 118 9.822 4.595 0.334 1.00 21.35 H new ATOM 0 HA MET A 118 8.104 3.185 0.473 1.00 45.54 H new ATOM 0 HB2 MET A 118 9.786 2.315 2.260 1.00 22.51 H new ATOM 0 HB3 MET A 118 8.654 2.944 3.440 1.00 22.51 H new ATOM 0 HG2 MET A 118 6.859 1.523 2.451 1.00 33.11 H new ATOM 0 HG3 MET A 118 8.018 0.873 1.309 1.00 33.11 H new ATOM 0 HE1 MET A 118 9.535 -2.000 2.990 1.00 32.04 H new ATOM 0 HE2 MET A 118 8.024 -1.824 2.066 1.00 32.04 H new ATOM 0 HE3 MET A 118 9.468 -0.895 1.596 1.00 32.04 H new ATOM 520 N ASP A 119 6.846 5.575 1.511 1.00 24.41 N ATOM 521 CA ASP A 119 5.672 6.341 1.911 1.00 33.42 C ATOM 522 C ASP A 119 4.501 6.072 0.970 1.00 32.20 C ATOM 523 O ASP A 119 4.694 5.692 -0.184 1.00 51.45 O ATOM 524 CB ASP A 119 5.993 7.836 1.931 1.00 52.52 C ATOM 525 CG ASP A 119 6.239 8.357 3.332 1.00 5.24 C ATOM 526 OD1 ASP A 119 7.221 7.915 3.966 1.00 1.40 O ATOM 527 OD2 ASP A 119 5.451 9.207 3.795 1.00 13.24 O ATOM 0 H ASP A 119 7.484 6.075 0.892 1.00 24.41 H new ATOM 0 HA ASP A 119 5.388 6.025 2.915 1.00 33.42 H new ATOM 0 HB2 ASP A 119 6.874 8.024 1.317 1.00 52.52 H new ATOM 0 HB3 ASP A 119 5.168 8.388 1.481 1.00 52.52 H new ATOM 532 N VAL A 120 3.287 6.268 1.473 1.00 13.42 N ATOM 533 CA VAL A 120 2.085 6.048 0.678 1.00 23.10 C ATOM 534 C VAL A 120 1.463 7.370 0.243 1.00 63.24 C ATOM 535 O VAL A 120 1.253 8.267 1.059 1.00 40.14 O ATOM 536 CB VAL A 120 1.037 5.233 1.460 1.00 31.13 C ATOM 537 CG1 VAL A 120 -0.223 5.046 0.629 1.00 15.43 C ATOM 538 CG2 VAL A 120 1.612 3.889 1.881 1.00 60.14 C ATOM 0 H VAL A 120 3.110 6.579 2.428 1.00 13.42 H new ATOM 0 HA VAL A 120 2.388 5.485 -0.205 1.00 23.10 H new ATOM 0 HB VAL A 120 0.771 5.786 2.361 1.00 31.13 H new ATOM 0 HG11 VAL A 120 -0.952 4.468 1.198 1.00 15.43 H new ATOM 0 HG12 VAL A 120 -0.645 6.021 0.383 1.00 15.43 H new ATOM 0 HG13 VAL A 120 0.023 4.515 -0.291 1.00 15.43 H new ATOM 0 HG21 VAL A 120 0.858 3.327 2.432 1.00 60.14 H new ATOM 0 HG22 VAL A 120 1.908 3.327 0.996 1.00 60.14 H new ATOM 0 HG23 VAL A 120 2.482 4.049 2.517 1.00 60.14 H new ATOM 548 N TRP A 121 1.170 7.481 -1.048 1.00 52.32 N ATOM 549 CA TRP A 121 0.572 8.695 -1.592 1.00 55.45 C ATOM 550 C TRP A 121 -0.855 8.433 -2.066 1.00 22.25 C ATOM 551 O TRP A 121 -1.089 7.565 -2.906 1.00 75.03 O ATOM 552 CB TRP A 121 1.415 9.229 -2.751 1.00 64.11 C ATOM 553 CG TRP A 121 1.388 10.724 -2.866 1.00 23.41 C ATOM 554 CD1 TRP A 121 0.688 11.463 -3.776 1.00 43.01 C ATOM 555 CD2 TRP A 121 2.095 11.659 -2.044 1.00 31.01 C ATOM 556 NE1 TRP A 121 0.916 12.802 -3.569 1.00 70.10 N ATOM 557 CE2 TRP A 121 1.775 12.948 -2.512 1.00 42.24 C ATOM 558 CE3 TRP A 121 2.964 11.533 -0.958 1.00 31.12 C ATOM 559 CZ2 TRP A 121 2.295 14.101 -1.930 1.00 41.31 C ATOM 560 CZ3 TRP A 121 3.480 12.679 -0.382 1.00 61.41 C ATOM 561 CH2 TRP A 121 3.144 13.949 -0.868 1.00 64.02 C ATOM 0 H TRP A 121 1.336 6.747 -1.736 1.00 52.32 H new ATOM 0 HA TRP A 121 0.542 9.442 -0.799 1.00 55.45 H new ATOM 0 HB2 TRP A 121 2.446 8.900 -2.622 1.00 64.11 H new ATOM 0 HB3 TRP A 121 1.055 8.793 -3.683 1.00 64.11 H new ATOM 0 HD1 TRP A 121 0.049 11.055 -4.545 1.00 43.01 H new ATOM 0 HE1 TRP A 121 0.511 13.564 -4.114 1.00 70.10 H new ATOM 0 HE3 TRP A 121 3.228 10.558 -0.575 1.00 31.12 H new ATOM 0 HZ2 TRP A 121 2.037 15.081 -2.304 1.00 41.31 H new ATOM 0 HZ3 TRP A 121 4.154 12.594 0.457 1.00 61.41 H new ATOM 0 HH2 TRP A 121 3.563 14.825 -0.395 1.00 64.02 H new ATOM 572 N CYS A 122 -1.801 9.189 -1.520 1.00 53.32 N ATOM 573 CA CYS A 122 -3.206 9.037 -1.886 1.00 44.41 C ATOM 574 C CYS A 122 -3.814 10.382 -2.272 1.00 75.13 C ATOM 575 O CYS A 122 -3.655 11.373 -1.562 1.00 20.32 O ATOM 576 CB CYS A 122 -3.992 8.422 -0.729 1.00 65.22 C ATOM 577 SG CYS A 122 -5.782 8.396 -0.983 1.00 2.41 S ATOM 0 H CYS A 122 -1.622 9.912 -0.823 1.00 53.32 H new ATOM 0 HA CYS A 122 -3.263 8.372 -2.747 1.00 44.41 H new ATOM 0 HB2 CYS A 122 -3.644 7.402 -0.569 1.00 65.22 H new ATOM 0 HB3 CYS A 122 -3.773 8.980 0.182 1.00 65.22 H new ATOM 0 HG CYS A 122 -6.341 7.672 -0.059 1.00 2.41 H new ATOM 583 N ASN A 123 -4.510 10.407 -3.404 1.00 71.12 N ATOM 584 CA ASN A 123 -5.142 11.630 -3.886 1.00 42.13 C ATOM 585 C ASN A 123 -4.150 12.789 -3.890 1.00 3.12 C ATOM 586 O ASN A 123 -4.403 13.839 -3.302 1.00 32.51 O ATOM 587 CB ASN A 123 -6.351 11.981 -3.018 1.00 2.31 C ATOM 588 CG ASN A 123 -7.617 11.287 -3.481 1.00 43.43 C ATOM 589 OD1 ASN A 123 -8.014 11.405 -4.640 1.00 61.34 O ATOM 590 ND2 ASN A 123 -8.257 10.558 -2.575 1.00 0.04 N ATOM 0 H ASN A 123 -4.651 9.595 -4.005 1.00 71.12 H new ATOM 0 HA ASN A 123 -5.477 11.458 -4.909 1.00 42.13 H new ATOM 0 HB2 ASN A 123 -6.145 11.703 -1.984 1.00 2.31 H new ATOM 0 HB3 ASN A 123 -6.505 13.060 -3.034 1.00 2.31 H new ATOM 0 HD21 ASN A 123 -9.115 10.067 -2.828 1.00 0.04 H new ATOM 0 HD22 ASN A 123 -7.891 10.488 -1.625 1.00 0.04 H new ATOM 597 N GLY A 124 -3.017 12.590 -4.559 1.00 12.30 N ATOM 598 CA GLY A 124 -2.004 13.626 -4.627 1.00 10.40 C ATOM 599 C GLY A 124 -1.663 14.194 -3.263 1.00 55.53 C ATOM 600 O GLY A 124 -1.427 15.395 -3.126 1.00 64.54 O ATOM 0 H GLY A 124 -2.784 11.730 -5.055 1.00 12.30 H new ATOM 0 HA2 GLY A 124 -1.102 13.218 -5.083 1.00 10.40 H new ATOM 0 HA3 GLY A 124 -2.354 14.430 -5.275 1.00 10.40 H new ATOM 604 N GLN A 125 -1.640 13.331 -2.253 1.00 4.32 N ATOM 605 CA GLN A 125 -1.328 13.755 -0.894 1.00 5.45 C ATOM 606 C GLN A 125 -0.514 12.691 -0.165 1.00 10.23 C ATOM 607 O GLN A 125 -0.423 11.549 -0.613 1.00 33.41 O ATOM 608 CB GLN A 125 -2.615 14.049 -0.120 1.00 70.03 C ATOM 609 CG GLN A 125 -2.798 15.520 0.219 1.00 60.44 C ATOM 610 CD GLN A 125 -4.035 15.775 1.057 1.00 23.23 C ATOM 611 OE1 GLN A 125 -5.130 15.966 0.527 1.00 23.34 O ATOM 612 NE2 GLN A 125 -3.867 15.780 2.375 1.00 51.23 N ATOM 0 H GLN A 125 -1.834 12.334 -2.350 1.00 4.32 H new ATOM 0 HA GLN A 125 -0.732 14.666 -0.953 1.00 5.45 H new ATOM 0 HB2 GLN A 125 -3.468 13.711 -0.708 1.00 70.03 H new ATOM 0 HB3 GLN A 125 -2.615 13.469 0.803 1.00 70.03 H new ATOM 0 HG2 GLN A 125 -1.920 15.877 0.756 1.00 60.44 H new ATOM 0 HG3 GLN A 125 -2.864 16.096 -0.704 1.00 60.44 H new ATOM 0 HE21 GLN A 125 -2.942 15.617 2.772 1.00 51.23 H new ATOM 0 HE22 GLN A 125 -4.663 15.947 2.990 1.00 51.23 H new ATOM 621 N LYS A 126 0.076 13.073 0.962 1.00 10.54 N ATOM 622 CA LYS A 126 0.882 12.153 1.755 1.00 63.21 C ATOM 623 C LYS A 126 0.008 11.356 2.718 1.00 31.35 C ATOM 624 O LYS A 126 -1.097 11.775 3.059 1.00 10.43 O ATOM 625 CB LYS A 126 1.951 12.921 2.536 1.00 11.41 C ATOM 626 CG LYS A 126 3.151 12.073 2.920 1.00 70.51 C ATOM 627 CD LYS A 126 3.311 11.983 4.428 1.00 42.21 C ATOM 628 CE LYS A 126 3.907 13.260 5.002 1.00 14.31 C ATOM 629 NZ LYS A 126 3.409 13.534 6.379 1.00 14.12 N ATOM 0 H LYS A 126 0.011 14.015 1.347 1.00 10.54 H new ATOM 0 HA LYS A 126 1.370 11.457 1.073 1.00 63.21 H new ATOM 0 HB2 LYS A 126 2.291 13.765 1.936 1.00 11.41 H new ATOM 0 HB3 LYS A 126 1.503 13.332 3.441 1.00 11.41 H new ATOM 0 HG2 LYS A 126 3.038 11.072 2.505 1.00 70.51 H new ATOM 0 HG3 LYS A 126 4.054 12.499 2.482 1.00 70.51 H new ATOM 0 HD2 LYS A 126 2.341 11.794 4.887 1.00 42.21 H new ATOM 0 HD3 LYS A 126 3.952 11.137 4.677 1.00 42.21 H new ATOM 0 HE2 LYS A 126 4.994 13.178 5.018 1.00 14.31 H new ATOM 0 HE3 LYS A 126 3.660 14.100 4.353 1.00 14.31 H new ATOM 0 HZ1 LYS A 126 3.838 14.412 6.735 1.00 14.12 H new ATOM 0 HZ2 LYS A 126 2.374 13.637 6.360 1.00 14.12 H new ATOM 0 HZ3 LYS A 126 3.667 12.744 7.005 1.00 14.12 H new ATOM 643 N MET A 127 0.512 10.206 3.154 1.00 4.22 N ATOM 644 CA MET A 127 -0.223 9.353 4.080 1.00 63.41 C ATOM 645 C MET A 127 0.608 9.060 5.326 1.00 2.10 C ATOM 646 O MET A 127 1.811 9.317 5.354 1.00 50.51 O ATOM 647 CB MET A 127 -0.615 8.042 3.396 1.00 34.42 C ATOM 648 CG MET A 127 -1.600 8.224 2.252 1.00 4.33 C ATOM 649 SD MET A 127 -3.318 8.150 2.796 1.00 42.21 S ATOM 650 CE MET A 127 -3.398 6.480 3.439 1.00 40.31 C ATOM 0 H MET A 127 1.426 9.844 2.881 1.00 4.22 H new ATOM 0 HA MET A 127 -1.127 9.882 4.383 1.00 63.41 H new ATOM 0 HB2 MET A 127 0.284 7.557 3.017 1.00 34.42 H new ATOM 0 HB3 MET A 127 -1.051 7.371 4.137 1.00 34.42 H new ATOM 0 HG2 MET A 127 -1.417 9.184 1.769 1.00 4.33 H new ATOM 0 HG3 MET A 127 -1.427 7.452 1.502 1.00 4.33 H new ATOM 0 HE1 MET A 127 -3.939 5.845 2.737 1.00 40.31 H new ATOM 0 HE2 MET A 127 -2.388 6.093 3.573 1.00 40.31 H new ATOM 0 HE3 MET A 127 -3.916 6.484 4.398 1.00 40.31 H new ATOM 660 N GLU A 128 -0.042 8.523 6.352 1.00 32.05 N ATOM 661 CA GLU A 128 0.638 8.198 7.602 1.00 71.14 C ATOM 662 C GLU A 128 0.546 6.703 7.898 1.00 41.25 C ATOM 663 O GLU A 128 -0.512 6.197 8.275 1.00 63.30 O ATOM 664 CB GLU A 128 0.035 8.997 8.759 1.00 62.23 C ATOM 665 CG GLU A 128 0.996 10.005 9.366 1.00 24.11 C ATOM 666 CD GLU A 128 1.025 9.944 10.881 1.00 41.12 C ATOM 667 OE1 GLU A 128 -0.026 10.196 11.507 1.00 44.31 O ATOM 668 OE2 GLU A 128 2.100 9.642 11.441 1.00 30.23 O ATOM 0 H GLU A 128 -1.038 8.303 6.344 1.00 32.05 H new ATOM 0 HA GLU A 128 1.689 8.466 7.495 1.00 71.14 H new ATOM 0 HB2 GLU A 128 -0.852 9.521 8.404 1.00 62.23 H new ATOM 0 HB3 GLU A 128 -0.292 8.306 9.536 1.00 62.23 H new ATOM 0 HG2 GLU A 128 1.999 9.824 8.980 1.00 24.11 H new ATOM 0 HG3 GLU A 128 0.710 11.009 9.052 1.00 24.11 H new ATOM 675 N THR A 129 1.662 6.001 7.724 1.00 14.32 N ATOM 676 CA THR A 129 1.707 4.566 7.971 1.00 64.42 C ATOM 677 C THR A 129 2.228 4.266 9.372 1.00 72.12 C ATOM 678 O THR A 129 2.466 5.176 10.164 1.00 24.02 O ATOM 679 CB THR A 129 2.597 3.847 6.939 1.00 25.35 C ATOM 680 OG1 THR A 129 3.977 4.115 7.212 1.00 25.02 O ATOM 681 CG2 THR A 129 2.258 4.295 5.526 1.00 11.14 C ATOM 0 H THR A 129 2.546 6.404 7.413 1.00 14.32 H new ATOM 0 HA THR A 129 0.686 4.196 7.879 1.00 64.42 H new ATOM 0 HB THR A 129 2.413 2.776 7.017 1.00 25.35 H new ATOM 0 HG1 THR A 129 4.486 4.094 6.375 1.00 25.02 H new ATOM 0 HG21 THR A 129 2.899 3.774 4.815 1.00 11.14 H new ATOM 0 HG22 THR A 129 1.215 4.063 5.311 1.00 11.14 H new ATOM 0 HG23 THR A 129 2.417 5.370 5.437 1.00 11.14 H new ATOM 689 N ALA A 130 2.403 2.982 9.670 1.00 50.40 N ATOM 690 CA ALA A 130 2.898 2.562 10.975 1.00 4.45 C ATOM 691 C ALA A 130 4.358 2.128 10.895 1.00 60.42 C ATOM 692 O ALA A 130 5.107 2.254 11.863 1.00 63.54 O ATOM 693 CB ALA A 130 2.040 1.434 11.527 1.00 72.11 C ATOM 0 H ALA A 130 2.209 2.216 9.025 1.00 50.40 H new ATOM 0 HA ALA A 130 2.836 3.415 11.651 1.00 4.45 H new ATOM 0 HB1 ALA A 130 2.421 1.130 12.502 1.00 72.11 H new ATOM 0 HB2 ALA A 130 1.011 1.777 11.631 1.00 72.11 H new ATOM 0 HB3 ALA A 130 2.072 0.585 10.844 1.00 72.11 H new ATOM 699 N GLY A 131 4.755 1.616 9.734 1.00 54.25 N ATOM 700 CA GLY A 131 6.124 1.171 9.549 1.00 34.53 C ATOM 701 C GLY A 131 6.496 0.038 10.485 1.00 30.05 C ATOM 702 O GLY A 131 7.605 0.003 11.017 1.00 20.02 O ATOM 0 H GLY A 131 4.153 1.501 8.918 1.00 54.25 H new ATOM 0 HA2 GLY A 131 6.261 0.846 8.518 1.00 34.53 H new ATOM 0 HA3 GLY A 131 6.801 2.010 9.712 1.00 34.53 H new ATOM 706 N GLU A 132 5.566 -0.890 10.688 1.00 73.40 N ATOM 707 CA GLU A 132 5.802 -2.028 11.569 1.00 63.20 C ATOM 708 C GLU A 132 6.788 -3.008 10.940 1.00 53.41 C ATOM 709 O GLU A 132 6.726 -3.285 9.741 1.00 73.21 O ATOM 710 CB GLU A 132 4.485 -2.741 11.881 1.00 20.54 C ATOM 711 CG GLU A 132 4.559 -3.650 13.097 1.00 60.23 C ATOM 712 CD GLU A 132 3.230 -4.305 13.416 1.00 33.51 C ATOM 713 OE1 GLU A 132 2.181 -3.718 13.080 1.00 43.34 O ATOM 714 OE2 GLU A 132 3.238 -5.407 14.005 1.00 63.33 O ATOM 0 H GLU A 132 4.643 -0.876 10.255 1.00 73.40 H new ATOM 0 HA GLU A 132 6.232 -1.653 12.498 1.00 63.20 H new ATOM 0 HB2 GLU A 132 3.707 -1.995 12.042 1.00 20.54 H new ATOM 0 HB3 GLU A 132 4.187 -3.331 11.014 1.00 20.54 H new ATOM 0 HG2 GLU A 132 5.308 -4.422 12.924 1.00 60.23 H new ATOM 0 HG3 GLU A 132 4.891 -3.071 13.959 1.00 60.23 H new ATOM 781 N GLY A 137 9.924 -8.718 6.748 1.00 3.11 N ATOM 782 CA GLY A 137 9.069 -7.863 5.946 1.00 53.45 C ATOM 783 C GLY A 137 8.616 -6.626 6.696 1.00 5.53 C ATOM 784 O GLY A 137 9.000 -6.413 7.848 1.00 74.14 O ATOM 0 HA2 GLY A 137 9.604 -7.562 5.045 1.00 53.45 H new ATOM 0 HA3 GLY A 137 8.195 -8.429 5.624 1.00 53.45 H new ATOM 788 N THR A 138 7.800 -5.805 6.044 1.00 55.24 N ATOM 789 CA THR A 138 7.297 -4.581 6.656 1.00 44.23 C ATOM 790 C THR A 138 5.804 -4.411 6.399 1.00 21.21 C ATOM 791 O THR A 138 5.343 -4.532 5.265 1.00 13.43 O ATOM 792 CB THR A 138 8.041 -3.342 6.125 1.00 4.50 C ATOM 793 OG1 THR A 138 9.139 -3.745 5.298 1.00 71.44 O ATOM 794 CG2 THR A 138 8.553 -2.485 7.273 1.00 63.23 C ATOM 0 H THR A 138 7.473 -5.965 5.091 1.00 55.24 H new ATOM 0 HA THR A 138 7.471 -4.669 7.728 1.00 44.23 H new ATOM 0 HB THR A 138 7.340 -2.751 5.535 1.00 4.50 H new ATOM 0 HG1 THR A 138 9.698 -2.966 5.094 1.00 71.44 H new ATOM 0 HG21 THR A 138 9.075 -1.616 6.873 1.00 63.23 H new ATOM 0 HG22 THR A 138 7.713 -2.155 7.883 1.00 63.23 H new ATOM 0 HG23 THR A 138 9.239 -3.070 7.886 1.00 63.23 H new ATOM 802 N GLU A 139 5.055 -4.132 7.461 1.00 53.02 N ATOM 803 CA GLU A 139 3.613 -3.945 7.350 1.00 73.43 C ATOM 804 C GLU A 139 3.237 -2.478 7.531 1.00 60.22 C ATOM 805 O GLU A 139 3.226 -1.961 8.649 1.00 54.11 O ATOM 806 CB GLU A 139 2.883 -4.802 8.387 1.00 3.20 C ATOM 807 CG GLU A 139 3.438 -6.211 8.512 1.00 61.52 C ATOM 808 CD GLU A 139 2.694 -7.042 9.538 1.00 3.12 C ATOM 809 OE1 GLU A 139 2.402 -6.513 10.632 1.00 44.45 O ATOM 810 OE2 GLU A 139 2.405 -8.222 9.250 1.00 30.32 O ATOM 0 H GLU A 139 5.422 -4.031 8.407 1.00 53.02 H new ATOM 0 HA GLU A 139 3.309 -4.258 6.351 1.00 73.43 H new ATOM 0 HB2 GLU A 139 2.941 -4.310 9.358 1.00 3.20 H new ATOM 0 HB3 GLU A 139 1.827 -4.859 8.121 1.00 3.20 H new ATOM 0 HG2 GLU A 139 3.385 -6.706 7.542 1.00 61.52 H new ATOM 0 HG3 GLU A 139 4.492 -6.159 8.787 1.00 61.52 H new ATOM 817 N THR A 140 2.931 -1.809 6.423 1.00 33.24 N ATOM 818 CA THR A 140 2.557 -0.401 6.459 1.00 23.32 C ATOM 819 C THR A 140 1.080 -0.233 6.796 1.00 0.12 C ATOM 820 O THR A 140 0.208 -0.562 5.992 1.00 42.54 O ATOM 821 CB THR A 140 2.847 0.291 5.114 1.00 61.00 C ATOM 822 OG1 THR A 140 3.294 -0.672 4.154 1.00 51.12 O ATOM 823 CG2 THR A 140 3.901 1.376 5.280 1.00 63.55 C ATOM 0 H THR A 140 2.935 -2.220 5.490 1.00 33.24 H new ATOM 0 HA THR A 140 3.160 0.067 7.238 1.00 23.32 H new ATOM 0 HB THR A 140 1.925 0.753 4.762 1.00 61.00 H new ATOM 0 HG1 THR A 140 2.585 -1.331 3.997 1.00 51.12 H new ATOM 0 HG21 THR A 140 4.089 1.851 4.317 1.00 63.55 H new ATOM 0 HG22 THR A 140 3.545 2.123 5.990 1.00 63.55 H new ATOM 0 HG23 THR A 140 4.824 0.932 5.653 1.00 63.55 H new ATOM 831 N HIS A 141 0.805 0.283 7.990 1.00 22.52 N ATOM 832 CA HIS A 141 -0.568 0.495 8.433 1.00 1.35 C ATOM 833 C HIS A 141 -0.930 1.976 8.384 1.00 12.50 C ATOM 834 O HIS A 141 -0.499 2.762 9.229 1.00 63.32 O ATOM 835 CB HIS A 141 -0.757 -0.040 9.853 1.00 73.25 C ATOM 836 CG HIS A 141 -0.274 -1.446 10.032 1.00 43.21 C ATOM 837 ND1 HIS A 141 -1.044 -2.550 9.736 1.00 72.51 N ATOM 838 CD2 HIS A 141 0.912 -1.925 10.478 1.00 13.41 C ATOM 839 CE1 HIS A 141 -0.355 -3.648 9.994 1.00 42.21 C ATOM 840 NE2 HIS A 141 0.835 -3.295 10.445 1.00 61.21 N ATOM 0 H HIS A 141 1.515 0.562 8.668 1.00 22.52 H new ATOM 0 HA HIS A 141 -1.230 -0.047 7.758 1.00 1.35 H new ATOM 0 HB2 HIS A 141 -0.227 0.609 10.550 1.00 73.25 H new ATOM 0 HB3 HIS A 141 -1.814 0.008 10.113 1.00 73.25 H new ATOM 0 HD1 HIS A 141 -1.997 -2.524 9.374 1.00 72.51 H new ATOM 0 HD2 HIS A 141 1.760 -1.338 10.800 1.00 13.41 H new ATOM 0 HE1 HIS A 141 -0.705 -4.661 9.859 1.00 42.21 H new ATOM 848 N PHE A 142 -1.726 2.352 7.388 1.00 11.44 N ATOM 849 CA PHE A 142 -2.146 3.740 7.227 1.00 1.12 C ATOM 850 C PHE A 142 -3.667 3.849 7.201 1.00 74.11 C ATOM 851 O PHE A 142 -4.344 3.075 6.526 1.00 71.44 O ATOM 852 CB PHE A 142 -1.560 4.326 5.940 1.00 1.54 C ATOM 853 CG PHE A 142 -1.716 3.428 4.747 1.00 13.41 C ATOM 854 CD1 PHE A 142 -2.903 3.407 4.031 1.00 30.13 C ATOM 855 CD2 PHE A 142 -0.678 2.606 4.341 1.00 71.01 C ATOM 856 CE1 PHE A 142 -3.050 2.582 2.932 1.00 61.40 C ATOM 857 CE2 PHE A 142 -0.820 1.779 3.242 1.00 10.22 C ATOM 858 CZ PHE A 142 -2.008 1.766 2.537 1.00 4.42 C ATOM 0 H PHE A 142 -2.093 1.715 6.681 1.00 11.44 H new ATOM 0 HA PHE A 142 -1.773 4.307 8.080 1.00 1.12 H new ATOM 0 HB2 PHE A 142 -2.043 5.280 5.732 1.00 1.54 H new ATOM 0 HB3 PHE A 142 -0.501 4.532 6.094 1.00 1.54 H new ATOM 0 HD1 PHE A 142 -3.722 4.042 4.335 1.00 30.13 H new ATOM 0 HD2 PHE A 142 0.253 2.611 4.889 1.00 71.01 H new ATOM 0 HE1 PHE A 142 -3.980 2.575 2.382 1.00 61.40 H new ATOM 0 HE2 PHE A 142 -0.003 1.144 2.935 1.00 10.22 H new ATOM 0 HZ PHE A 142 -2.122 1.120 1.679 1.00 4.42 H new ATOM 868 N SER A 143 -4.199 4.816 7.942 1.00 21.43 N ATOM 869 CA SER A 143 -5.640 5.024 8.009 1.00 32.50 C ATOM 870 C SER A 143 -6.144 5.743 6.761 1.00 21.24 C ATOM 871 O SER A 143 -5.501 6.667 6.261 1.00 35.31 O ATOM 872 CB SER A 143 -6.004 5.830 9.258 1.00 42.31 C ATOM 873 OG SER A 143 -5.066 6.869 9.484 1.00 31.43 O ATOM 0 H SER A 143 -3.653 5.468 8.505 1.00 21.43 H new ATOM 0 HA SER A 143 -6.120 4.047 8.063 1.00 32.50 H new ATOM 0 HB2 SER A 143 -7.001 6.254 9.143 1.00 42.31 H new ATOM 0 HB3 SER A 143 -6.036 5.170 10.125 1.00 42.31 H new ATOM 0 HG SER A 143 -5.321 7.371 10.286 1.00 31.43 H new ATOM 879 N VAL A 144 -7.298 5.312 6.262 1.00 23.24 N ATOM 880 CA VAL A 144 -7.890 5.914 5.073 1.00 4.15 C ATOM 881 C VAL A 144 -9.374 6.192 5.280 1.00 10.42 C ATOM 882 O VAL A 144 -10.194 5.276 5.284 1.00 62.44 O ATOM 883 CB VAL A 144 -7.715 5.008 3.840 1.00 34.11 C ATOM 884 CG1 VAL A 144 -8.160 5.732 2.579 1.00 4.20 C ATOM 885 CG2 VAL A 144 -6.270 4.547 3.718 1.00 34.33 C ATOM 0 H VAL A 144 -7.842 4.548 6.663 1.00 23.24 H new ATOM 0 HA VAL A 144 -7.368 6.855 4.900 1.00 4.15 H new ATOM 0 HB VAL A 144 -8.344 4.127 3.966 1.00 34.11 H new ATOM 0 HG11 VAL A 144 -8.029 5.077 1.718 1.00 4.20 H new ATOM 0 HG12 VAL A 144 -9.211 6.007 2.669 1.00 4.20 H new ATOM 0 HG13 VAL A 144 -7.559 6.632 2.445 1.00 4.20 H new ATOM 0 HG21 VAL A 144 -6.165 3.908 2.841 1.00 34.33 H new ATOM 0 HG22 VAL A 144 -5.619 5.415 3.615 1.00 34.33 H new ATOM 0 HG23 VAL A 144 -5.990 3.988 4.611 1.00 34.33 H new ATOM 895 N GLY A 145 -9.713 7.467 5.452 1.00 43.15 N ATOM 896 CA GLY A 145 -11.099 7.845 5.655 1.00 51.10 C ATOM 897 C GLY A 145 -11.748 7.077 6.790 1.00 73.03 C ATOM 898 O GLY A 145 -11.343 7.202 7.944 1.00 31.14 O ATOM 0 H GLY A 145 -9.052 8.244 5.454 1.00 43.15 H new ATOM 0 HA2 GLY A 145 -11.154 8.913 5.865 1.00 51.10 H new ATOM 0 HA3 GLY A 145 -11.658 7.671 4.736 1.00 51.10 H new ATOM 902 N ASN A 146 -12.761 6.281 6.460 1.00 72.21 N ATOM 903 CA ASN A 146 -13.470 5.491 7.461 1.00 43.30 C ATOM 904 C ASN A 146 -13.172 4.004 7.291 1.00 11.33 C ATOM 905 O ASN A 146 -13.976 3.153 7.670 1.00 74.04 O ATOM 906 CB ASN A 146 -14.976 5.736 7.360 1.00 72.20 C ATOM 907 CG ASN A 146 -15.624 5.927 8.718 1.00 65.45 C ATOM 908 OD1 ASN A 146 -16.418 6.846 8.916 1.00 24.01 O ATOM 909 ND2 ASN A 146 -15.286 5.055 9.662 1.00 61.22 N ATOM 0 H ASN A 146 -13.109 6.166 5.508 1.00 72.21 H new ATOM 0 HA ASN A 146 -13.123 5.802 8.446 1.00 43.30 H new ATOM 0 HB2 ASN A 146 -15.157 6.619 6.747 1.00 72.20 H new ATOM 0 HB3 ASN A 146 -15.445 4.893 6.852 1.00 72.20 H new ATOM 0 HD21 ASN A 146 -15.689 5.132 10.596 1.00 61.22 H new ATOM 0 HD22 ASN A 146 -14.623 4.308 9.453 1.00 61.22 H new ATOM 916 N HIS A 147 -12.010 3.701 6.721 1.00 13.13 N ATOM 917 CA HIS A 147 -11.605 2.317 6.503 1.00 21.12 C ATOM 918 C HIS A 147 -10.253 2.037 7.155 1.00 13.14 C ATOM 919 O HIS A 147 -9.741 2.855 7.920 1.00 51.30 O ATOM 920 CB HIS A 147 -11.534 2.014 5.006 1.00 64.11 C ATOM 921 CG HIS A 147 -12.730 2.491 4.241 1.00 10.05 C ATOM 922 ND1 HIS A 147 -12.821 3.207 3.097 1.00 60.34 N flip ATOM 923 CD2 HIS A 147 -14.026 2.242 4.640 1.00 41.41 C flip ATOM 924 CE1 HIS A 147 -14.158 3.375 2.827 1.00 34.43 C flip ATOM 925 NE2 HIS A 147 -14.863 2.782 3.772 1.00 62.13 N flip ATOM 0 H HIS A 147 -11.333 4.394 6.402 1.00 13.13 H new ATOM 0 HA HIS A 147 -12.352 1.669 6.962 1.00 21.12 H new ATOM 0 HB2 HIS A 147 -10.639 2.478 4.592 1.00 64.11 H new ATOM 0 HB3 HIS A 147 -11.429 0.938 4.866 1.00 64.11 H new ATOM 0 HD2 HIS A 147 -14.312 1.692 5.524 1.00 41.41 H new ATOM 0 HE1 HIS A 147 -14.565 3.906 1.979 1.00 34.43 H new ATOM 0 HE2 HIS A 147 -15.881 2.747 3.824 1.00 62.13 H new ATOM 933 N ASP A 148 -9.683 0.877 6.849 1.00 42.21 N ATOM 934 CA ASP A 148 -8.392 0.489 7.404 1.00 10.53 C ATOM 935 C ASP A 148 -7.540 -0.220 6.356 1.00 32.12 C ATOM 936 O ASP A 148 -7.480 -1.451 6.320 1.00 14.33 O ATOM 937 CB ASP A 148 -8.587 -0.417 8.620 1.00 34.55 C ATOM 938 CG ASP A 148 -9.317 0.281 9.751 1.00 71.21 C ATOM 939 OD1 ASP A 148 -10.500 0.632 9.566 1.00 53.52 O ATOM 940 OD2 ASP A 148 -8.705 0.476 10.822 1.00 62.30 O ATOM 0 H ASP A 148 -10.095 0.189 6.219 1.00 42.21 H new ATOM 0 HA ASP A 148 -7.872 1.395 7.716 1.00 10.53 H new ATOM 0 HB2 ASP A 148 -9.147 -1.304 8.323 1.00 34.55 H new ATOM 0 HB3 ASP A 148 -7.615 -0.758 8.975 1.00 34.55 H new ATOM 945 N CYS A 149 -6.885 0.561 5.506 1.00 42.34 N ATOM 946 CA CYS A 149 -6.037 0.007 4.456 1.00 74.21 C ATOM 947 C CYS A 149 -4.597 -0.134 4.937 1.00 74.25 C ATOM 948 O CYS A 149 -4.176 0.543 5.874 1.00 2.44 O ATOM 949 CB CYS A 149 -6.088 0.893 3.210 1.00 14.01 C ATOM 950 SG CYS A 149 -7.754 1.418 2.745 1.00 53.22 S ATOM 0 H CYS A 149 -6.924 1.580 5.523 1.00 42.34 H new ATOM 0 HA CYS A 149 -6.414 -0.984 4.204 1.00 74.21 H new ATOM 0 HB2 CYS A 149 -5.474 1.778 3.381 1.00 14.01 H new ATOM 0 HB3 CYS A 149 -5.643 0.353 2.375 1.00 14.01 H new ATOM 0 HG CYS A 149 -7.693 2.164 1.682 1.00 53.22 H new ATOM 956 N TYR A 150 -3.847 -1.020 4.290 1.00 12.21 N ATOM 957 CA TYR A 150 -2.455 -1.253 4.655 1.00 71.05 C ATOM 958 C TYR A 150 -1.693 -1.906 3.505 1.00 2.11 C ATOM 959 O TYR A 150 -2.236 -2.740 2.780 1.00 22.13 O ATOM 960 CB TYR A 150 -2.373 -2.136 5.901 1.00 41.24 C ATOM 961 CG TYR A 150 -2.945 -3.521 5.701 1.00 63.42 C ATOM 962 CD1 TYR A 150 -4.314 -3.746 5.768 1.00 34.15 C ATOM 963 CD2 TYR A 150 -2.115 -4.605 5.443 1.00 21.14 C ATOM 964 CE1 TYR A 150 -4.840 -5.010 5.587 1.00 74.51 C ATOM 965 CE2 TYR A 150 -2.632 -5.872 5.259 1.00 60.52 C ATOM 966 CZ TYR A 150 -3.996 -6.071 5.332 1.00 4.32 C ATOM 967 OH TYR A 150 -4.516 -7.331 5.150 1.00 50.04 O ATOM 0 H TYR A 150 -4.180 -1.588 3.511 1.00 12.21 H new ATOM 0 HA TYR A 150 -1.996 -0.288 4.871 1.00 71.05 H new ATOM 0 HB2 TYR A 150 -1.330 -2.223 6.206 1.00 41.24 H new ATOM 0 HB3 TYR A 150 -2.904 -1.647 6.718 1.00 41.24 H new ATOM 0 HD1 TYR A 150 -4.979 -2.918 5.965 1.00 34.15 H new ATOM 0 HD2 TYR A 150 -1.047 -4.454 5.385 1.00 21.14 H new ATOM 0 HE1 TYR A 150 -5.907 -5.167 5.645 1.00 74.51 H new ATOM 0 HE2 TYR A 150 -1.972 -6.703 5.059 1.00 60.52 H new ATOM 0 HH TYR A 150 -3.788 -7.964 4.979 1.00 50.04 H new ATOM 977 N ILE A 151 -0.432 -1.520 3.345 1.00 43.53 N ATOM 978 CA ILE A 151 0.405 -2.067 2.285 1.00 24.13 C ATOM 979 C ILE A 151 1.287 -3.195 2.810 1.00 24.41 C ATOM 980 O ILE A 151 2.203 -2.967 3.601 1.00 11.12 O ATOM 981 CB ILE A 151 1.299 -0.982 1.657 1.00 25.41 C ATOM 982 CG1 ILE A 151 0.486 -0.112 0.697 1.00 72.21 C ATOM 983 CG2 ILE A 151 2.477 -1.620 0.934 1.00 1.23 C ATOM 984 CD1 ILE A 151 1.238 1.098 0.192 1.00 45.25 C ATOM 0 H ILE A 151 0.032 -0.831 3.936 1.00 43.53 H new ATOM 0 HA ILE A 151 -0.267 -2.459 1.522 1.00 24.13 H new ATOM 0 HB ILE A 151 1.687 -0.346 2.453 1.00 25.41 H new ATOM 0 HG12 ILE A 151 0.175 -0.718 -0.154 1.00 72.21 H new ATOM 0 HG13 ILE A 151 -0.422 0.219 1.201 1.00 72.21 H new ATOM 0 HG21 ILE A 151 3.100 -0.841 0.495 1.00 1.23 H new ATOM 0 HG22 ILE A 151 3.068 -2.201 1.643 1.00 1.23 H new ATOM 0 HG23 ILE A 151 2.108 -2.276 0.146 1.00 1.23 H new ATOM 0 HD11 ILE A 151 0.599 1.667 -0.483 1.00 45.25 H new ATOM 0 HD12 ILE A 151 1.525 1.726 1.035 1.00 45.25 H new ATOM 0 HD13 ILE A 151 2.132 0.774 -0.341 1.00 45.25 H new ATOM 996 N LYS A 152 1.006 -4.415 2.363 1.00 30.01 N ATOM 997 CA LYS A 152 1.775 -5.580 2.783 1.00 31.21 C ATOM 998 C LYS A 152 3.083 -5.680 2.005 1.00 2.21 C ATOM 999 O LYS A 152 3.098 -6.095 0.847 1.00 71.21 O ATOM 1000 CB LYS A 152 0.953 -6.857 2.586 1.00 44.53 C ATOM 1001 CG LYS A 152 1.757 -8.132 2.774 1.00 32.11 C ATOM 1002 CD LYS A 152 0.913 -9.367 2.507 1.00 4.15 C ATOM 1003 CE LYS A 152 0.005 -9.687 3.685 1.00 65.11 C ATOM 1004 NZ LYS A 152 -0.587 -11.049 3.574 1.00 12.13 N ATOM 0 H LYS A 152 0.251 -4.622 1.709 1.00 30.01 H new ATOM 0 HA LYS A 152 2.011 -5.466 3.841 1.00 31.21 H new ATOM 0 HB2 LYS A 152 0.120 -6.855 3.289 1.00 44.53 H new ATOM 0 HB3 LYS A 152 0.524 -6.852 1.584 1.00 44.53 H new ATOM 0 HG2 LYS A 152 2.615 -8.124 2.102 1.00 32.11 H new ATOM 0 HG3 LYS A 152 2.148 -8.170 3.791 1.00 32.11 H new ATOM 0 HD2 LYS A 152 0.309 -9.210 1.613 1.00 4.15 H new ATOM 0 HD3 LYS A 152 1.564 -10.218 2.307 1.00 4.15 H new ATOM 0 HE2 LYS A 152 0.573 -9.612 4.612 1.00 65.11 H new ATOM 0 HE3 LYS A 152 -0.794 -8.947 3.740 1.00 65.11 H new ATOM 0 HZ1 LYS A 152 -1.199 -11.229 4.395 1.00 12.13 H new ATOM 0 HZ2 LYS A 152 -1.150 -11.113 2.702 1.00 12.13 H new ATOM 0 HZ3 LYS A 152 0.174 -11.757 3.547 1.00 12.13 H new ATOM 1018 N ALA A 153 4.181 -5.296 2.651 1.00 55.13 N ATOM 1019 CA ALA A 153 5.493 -5.346 2.020 1.00 45.32 C ATOM 1020 C ALA A 153 6.220 -6.641 2.365 1.00 20.12 C ATOM 1021 O ALA A 153 6.129 -7.135 3.489 1.00 3.11 O ATOM 1022 CB ALA A 153 6.326 -4.143 2.439 1.00 13.15 C ATOM 0 H ALA A 153 4.186 -4.948 3.610 1.00 55.13 H new ATOM 0 HA ALA A 153 5.350 -5.317 0.940 1.00 45.32 H new ATOM 0 HB1 ALA A 153 7.304 -4.193 1.960 1.00 13.15 H new ATOM 0 HB2 ALA A 153 5.820 -3.227 2.136 1.00 13.15 H new ATOM 0 HB3 ALA A 153 6.452 -4.147 3.522 1.00 13.15 H new ATOM 1028 N VAL A 154 6.942 -7.187 1.392 1.00 75.44 N ATOM 1029 CA VAL A 154 7.685 -8.425 1.593 1.00 12.05 C ATOM 1030 C VAL A 154 9.058 -8.355 0.935 1.00 24.34 C ATOM 1031 O VAL A 154 9.172 -8.091 -0.262 1.00 75.21 O ATOM 1032 CB VAL A 154 6.919 -9.637 1.030 1.00 22.44 C ATOM 1033 CG1 VAL A 154 7.607 -10.935 1.428 1.00 53.04 C ATOM 1034 CG2 VAL A 154 5.475 -9.622 1.506 1.00 33.35 C ATOM 0 H VAL A 154 7.028 -6.791 0.456 1.00 75.44 H new ATOM 0 HA VAL A 154 7.807 -8.550 2.669 1.00 12.05 H new ATOM 0 HB VAL A 154 6.919 -9.572 -0.058 1.00 22.44 H new ATOM 0 HG11 VAL A 154 7.052 -11.780 1.022 1.00 53.04 H new ATOM 0 HG12 VAL A 154 8.623 -10.944 1.033 1.00 53.04 H new ATOM 0 HG13 VAL A 154 7.640 -11.011 2.515 1.00 53.04 H new ATOM 0 HG21 VAL A 154 4.949 -10.485 1.099 1.00 33.35 H new ATOM 0 HG22 VAL A 154 5.450 -9.663 2.595 1.00 33.35 H new ATOM 0 HG23 VAL A 154 4.989 -8.707 1.166 1.00 33.35 H new ATOM 1044 N SER A 155 10.100 -8.594 1.725 1.00 32.23 N ATOM 1045 CA SER A 155 11.467 -8.556 1.221 1.00 53.24 C ATOM 1046 C SER A 155 11.950 -9.955 0.849 1.00 34.23 C ATOM 1047 O SER A 155 11.777 -10.905 1.612 1.00 10.21 O ATOM 1048 CB SER A 155 12.402 -7.942 2.264 1.00 1.45 C ATOM 1049 OG SER A 155 13.007 -8.947 3.060 1.00 1.41 O ATOM 0 H SER A 155 10.023 -8.816 2.718 1.00 32.23 H new ATOM 0 HA SER A 155 11.479 -7.937 0.324 1.00 53.24 H new ATOM 0 HB2 SER A 155 13.173 -7.355 1.765 1.00 1.45 H new ATOM 0 HB3 SER A 155 11.842 -7.257 2.901 1.00 1.45 H new ATOM 0 HG SER A 155 13.601 -8.530 3.718 1.00 1.41 H new ATOM 1055 N SER A 156 12.554 -10.072 -0.328 1.00 24.13 N ATOM 1056 CA SER A 156 13.059 -11.355 -0.803 1.00 43.04 C ATOM 1057 C SER A 156 14.472 -11.211 -1.360 1.00 24.24 C ATOM 1058 O SER A 156 14.756 -10.300 -2.137 1.00 12.14 O ATOM 1059 CB SER A 156 12.132 -11.925 -1.879 1.00 32.14 C ATOM 1060 OG SER A 156 10.788 -11.536 -1.651 1.00 63.24 O ATOM 0 H SER A 156 12.706 -9.295 -0.971 1.00 24.13 H new ATOM 0 HA SER A 156 13.088 -12.041 0.044 1.00 43.04 H new ATOM 0 HB2 SER A 156 12.453 -11.578 -2.861 1.00 32.14 H new ATOM 0 HB3 SER A 156 12.203 -13.013 -1.886 1.00 32.14 H new ATOM 0 HG SER A 156 10.215 -11.911 -2.352 1.00 63.24 H new ATOM 1066 N GLY A 157 15.357 -12.118 -0.956 1.00 10.42 N ATOM 1067 CA GLY A 157 16.730 -12.075 -1.424 1.00 20.35 C ATOM 1068 C GLY A 157 17.707 -11.725 -0.319 1.00 3.33 C ATOM 1069 O GLY A 157 17.319 -11.578 0.841 1.00 5.30 O ATOM 0 H GLY A 157 15.147 -12.882 -0.313 1.00 10.42 H new ATOM 0 HA2 GLY A 157 16.997 -13.043 -1.848 1.00 20.35 H new ATOM 0 HA3 GLY A 157 16.815 -11.342 -2.226 1.00 20.35 H new ATOM 1073 N LYS A 158 18.980 -11.590 -0.678 1.00 30.33 N ATOM 1074 CA LYS A 158 20.016 -11.255 0.291 1.00 24.51 C ATOM 1075 C LYS A 158 20.017 -9.760 0.592 1.00 11.45 C ATOM 1076 O LYS A 158 20.016 -8.933 -0.319 1.00 3.21 O ATOM 1077 CB LYS A 158 21.390 -11.680 -0.234 1.00 74.43 C ATOM 1078 CG LYS A 158 22.523 -11.417 0.744 1.00 70.15 C ATOM 1079 CD LYS A 158 23.467 -10.345 0.226 1.00 1.21 C ATOM 1080 CE LYS A 158 24.632 -10.122 1.180 1.00 55.33 C ATOM 1081 NZ LYS A 158 25.834 -10.904 0.779 1.00 32.13 N ATOM 0 H LYS A 158 19.318 -11.708 -1.633 1.00 30.33 H new ATOM 0 HA LYS A 158 19.803 -11.794 1.214 1.00 24.51 H new ATOM 0 HB2 LYS A 158 21.366 -12.744 -0.472 1.00 74.43 H new ATOM 0 HB3 LYS A 158 21.594 -11.150 -1.164 1.00 74.43 H new ATOM 0 HG2 LYS A 158 22.111 -11.108 1.705 1.00 70.15 H new ATOM 0 HG3 LYS A 158 23.078 -12.339 0.917 1.00 70.15 H new ATOM 0 HD2 LYS A 158 23.847 -10.635 -0.753 1.00 1.21 H new ATOM 0 HD3 LYS A 158 22.921 -9.411 0.092 1.00 1.21 H new ATOM 0 HE2 LYS A 158 24.881 -9.061 1.207 1.00 55.33 H new ATOM 0 HE3 LYS A 158 24.334 -10.406 2.189 1.00 55.33 H new ATOM 0 HZ1 LYS A 158 26.605 -10.725 1.453 1.00 32.13 H new ATOM 0 HZ2 LYS A 158 25.604 -11.918 0.777 1.00 32.13 H new ATOM 0 HZ3 LYS A 158 26.134 -10.616 -0.174 1.00 32.13 H new ATOM 1095 N ARG A 159 20.019 -9.420 1.877 1.00 10.35 N ATOM 1096 CA ARG A 159 20.019 -8.025 2.299 1.00 4.51 C ATOM 1097 C ARG A 159 18.859 -7.264 1.662 1.00 4.33 C ATOM 1098 O ARG A 159 19.022 -6.135 1.198 1.00 22.45 O ATOM 1099 CB ARG A 159 21.345 -7.358 1.927 1.00 43.20 C ATOM 1100 CG ARG A 159 22.505 -7.770 2.819 1.00 52.51 C ATOM 1101 CD ARG A 159 22.684 -6.806 3.981 1.00 21.41 C ATOM 1102 NE ARG A 159 23.795 -7.193 4.846 1.00 1.23 N ATOM 1103 CZ ARG A 159 24.285 -6.415 5.805 1.00 33.15 C ATOM 1104 NH1 ARG A 159 23.764 -5.215 6.022 1.00 61.14 N ATOM 1105 NH2 ARG A 159 25.298 -6.838 6.551 1.00 32.21 N ATOM 0 H ARG A 159 20.021 -10.092 2.644 1.00 10.35 H new ATOM 0 HA ARG A 159 19.897 -7.999 3.382 1.00 4.51 H new ATOM 0 HB2 ARG A 159 21.588 -7.603 0.893 1.00 43.20 H new ATOM 0 HB3 ARG A 159 21.225 -6.276 1.978 1.00 43.20 H new ATOM 0 HG2 ARG A 159 22.331 -8.775 3.202 1.00 52.51 H new ATOM 0 HG3 ARG A 159 23.422 -7.807 2.231 1.00 52.51 H new ATOM 0 HD2 ARG A 159 22.858 -5.801 3.595 1.00 21.41 H new ATOM 0 HD3 ARG A 159 21.765 -6.768 4.566 1.00 21.41 H new ATOM 0 HE ARG A 159 24.218 -8.111 4.706 1.00 1.23 H new ATOM 0 HH11 ARG A 159 22.985 -4.887 5.452 1.00 61.14 H new ATOM 0 HH12 ARG A 159 24.143 -4.620 6.759 1.00 61.14 H new ATOM 0 HH21 ARG A 159 25.701 -7.761 6.388 1.00 32.21 H new ATOM 0 HH22 ARG A 159 25.674 -6.240 7.287 1.00 32.21 H new ATOM 1119 N LYS A 160 17.688 -7.891 1.643 1.00 12.40 N ATOM 1120 CA LYS A 160 16.500 -7.274 1.064 1.00 35.25 C ATOM 1121 C LYS A 160 16.754 -6.853 -0.380 1.00 51.20 C ATOM 1122 O LYS A 160 16.441 -5.730 -0.771 1.00 53.43 O ATOM 1123 CB LYS A 160 16.075 -6.060 1.893 1.00 34.21 C ATOM 1124 CG LYS A 160 15.815 -6.383 3.355 1.00 13.23 C ATOM 1125 CD LYS A 160 16.684 -5.541 4.275 1.00 64.04 C ATOM 1126 CE LYS A 160 16.020 -5.326 5.626 1.00 75.13 C ATOM 1127 NZ LYS A 160 16.927 -4.637 6.586 1.00 52.33 N ATOM 0 H LYS A 160 17.536 -8.826 2.022 1.00 12.40 H new ATOM 0 HA LYS A 160 15.697 -8.012 1.073 1.00 35.25 H new ATOM 0 HB2 LYS A 160 16.852 -5.298 1.830 1.00 34.21 H new ATOM 0 HB3 LYS A 160 15.172 -5.631 1.458 1.00 34.21 H new ATOM 0 HG2 LYS A 160 14.764 -6.209 3.586 1.00 13.23 H new ATOM 0 HG3 LYS A 160 16.010 -7.440 3.535 1.00 13.23 H new ATOM 0 HD2 LYS A 160 17.648 -6.031 4.416 1.00 64.04 H new ATOM 0 HD3 LYS A 160 16.882 -4.576 3.808 1.00 64.04 H new ATOM 0 HE2 LYS A 160 15.113 -4.735 5.495 1.00 75.13 H new ATOM 0 HE3 LYS A 160 15.717 -6.288 6.039 1.00 75.13 H new ATOM 0 HZ1 LYS A 160 16.438 -4.509 7.495 1.00 52.33 H new ATOM 0 HZ2 LYS A 160 17.781 -5.212 6.731 1.00 52.33 H new ATOM 0 HZ3 LYS A 160 17.196 -3.708 6.204 1.00 52.33 H new ATOM 1141 N GLU A 161 17.321 -7.763 -1.165 1.00 44.04 N ATOM 1142 CA GLU A 161 17.615 -7.485 -2.567 1.00 14.43 C ATOM 1143 C GLU A 161 16.377 -6.961 -3.289 1.00 13.11 C ATOM 1144 O GLU A 161 16.321 -5.797 -3.683 1.00 53.12 O ATOM 1145 CB GLU A 161 18.130 -8.746 -3.264 1.00 22.03 C ATOM 1146 CG GLU A 161 18.660 -8.493 -4.665 1.00 64.22 C ATOM 1147 CD GLU A 161 17.918 -9.289 -5.722 1.00 23.35 C ATOM 1148 OE1 GLU A 161 16.730 -8.992 -5.962 1.00 42.44 O ATOM 1149 OE2 GLU A 161 18.527 -10.209 -6.306 1.00 31.34 O ATOM 0 H GLU A 161 17.586 -8.698 -0.855 1.00 44.04 H new ATOM 0 HA GLU A 161 18.388 -6.718 -2.604 1.00 14.43 H new ATOM 0 HB2 GLU A 161 18.922 -9.188 -2.659 1.00 22.03 H new ATOM 0 HB3 GLU A 161 17.323 -9.477 -3.316 1.00 22.03 H new ATOM 0 HG2 GLU A 161 18.580 -7.430 -4.893 1.00 64.22 H new ATOM 0 HG3 GLU A 161 19.719 -8.748 -4.700 1.00 64.22 H new ATOM 1156 N GLY A 162 15.386 -7.831 -3.460 1.00 21.21 N ATOM 1157 CA GLY A 162 14.162 -7.439 -4.134 1.00 3.42 C ATOM 1158 C GLY A 162 12.975 -7.380 -3.194 1.00 12.11 C ATOM 1159 O GLY A 162 12.672 -8.354 -2.505 1.00 10.21 O ATOM 0 H GLY A 162 15.409 -8.800 -3.144 1.00 21.21 H new ATOM 0 HA2 GLY A 162 14.303 -6.463 -4.598 1.00 3.42 H new ATOM 0 HA3 GLY A 162 13.951 -8.145 -4.937 1.00 3.42 H new ATOM 1163 N ILE A 163 12.302 -6.235 -3.165 1.00 52.50 N ATOM 1164 CA ILE A 163 11.142 -6.053 -2.301 1.00 73.51 C ATOM 1165 C ILE A 163 9.872 -5.855 -3.122 1.00 11.11 C ATOM 1166 O ILE A 163 9.897 -5.228 -4.182 1.00 21.54 O ATOM 1167 CB ILE A 163 11.324 -4.849 -1.359 1.00 15.12 C ATOM 1168 CG1 ILE A 163 12.574 -5.033 -0.497 1.00 11.43 C ATOM 1169 CG2 ILE A 163 10.092 -4.670 -0.485 1.00 13.35 C ATOM 1170 CD1 ILE A 163 12.843 -3.871 0.434 1.00 14.41 C ATOM 0 H ILE A 163 12.540 -5.419 -3.730 1.00 52.50 H new ATOM 0 HA ILE A 163 11.048 -6.960 -1.703 1.00 73.51 H new ATOM 0 HB ILE A 163 11.451 -3.950 -1.962 1.00 15.12 H new ATOM 0 HG12 ILE A 163 12.468 -5.943 0.093 1.00 11.43 H new ATOM 0 HG13 ILE A 163 13.437 -5.174 -1.148 1.00 11.43 H new ATOM 0 HG21 ILE A 163 10.236 -3.815 0.176 1.00 13.35 H new ATOM 0 HG22 ILE A 163 9.220 -4.499 -1.116 1.00 13.35 H new ATOM 0 HG23 ILE A 163 9.936 -5.568 0.113 1.00 13.35 H new ATOM 0 HD11 ILE A 163 13.744 -4.070 1.014 1.00 14.41 H new ATOM 0 HD12 ILE A 163 12.981 -2.961 -0.150 1.00 14.41 H new ATOM 0 HD13 ILE A 163 11.997 -3.743 1.110 1.00 14.41 H new ATOM 1182 N ILE A 164 8.763 -6.391 -2.624 1.00 31.31 N ATOM 1183 CA ILE A 164 7.482 -6.271 -3.310 1.00 13.23 C ATOM 1184 C ILE A 164 6.383 -5.833 -2.348 1.00 55.41 C ATOM 1185 O ILE A 164 6.183 -6.443 -1.297 1.00 52.30 O ATOM 1186 CB ILE A 164 7.070 -7.599 -3.971 1.00 60.34 C ATOM 1187 CG1 ILE A 164 8.142 -8.053 -4.965 1.00 2.23 C ATOM 1188 CG2 ILE A 164 5.725 -7.450 -4.667 1.00 41.32 C ATOM 1189 CD1 ILE A 164 8.006 -9.501 -5.380 1.00 42.24 C ATOM 0 H ILE A 164 8.725 -6.913 -1.748 1.00 31.31 H new ATOM 0 HA ILE A 164 7.608 -5.514 -4.084 1.00 13.23 H new ATOM 0 HB ILE A 164 6.974 -8.359 -3.196 1.00 60.34 H new ATOM 0 HG12 ILE A 164 8.093 -7.423 -5.853 1.00 2.23 H new ATOM 0 HG13 ILE A 164 9.126 -7.902 -4.521 1.00 2.23 H new ATOM 0 HG21 ILE A 164 5.448 -8.397 -5.129 1.00 41.32 H new ATOM 0 HG22 ILE A 164 4.967 -7.167 -3.937 1.00 41.32 H new ATOM 0 HG23 ILE A 164 5.796 -6.679 -5.434 1.00 41.32 H new ATOM 0 HD11 ILE A 164 8.798 -9.753 -6.085 1.00 42.24 H new ATOM 0 HD12 ILE A 164 8.085 -10.140 -4.501 1.00 42.24 H new ATOM 0 HD13 ILE A 164 7.036 -9.654 -5.854 1.00 42.24 H new ATOM 1201 N HIS A 165 5.670 -4.772 -2.716 1.00 33.13 N ATOM 1202 CA HIS A 165 4.588 -4.254 -1.887 1.00 2.23 C ATOM 1203 C HIS A 165 3.229 -4.666 -2.446 1.00 21.24 C ATOM 1204 O HIS A 165 3.018 -4.665 -3.658 1.00 72.24 O ATOM 1205 CB HIS A 165 4.673 -2.730 -1.795 1.00 32.11 C ATOM 1206 CG HIS A 165 6.071 -2.216 -1.635 1.00 73.25 C ATOM 1207 ND1 HIS A 165 6.798 -1.676 -2.676 1.00 34.33 N ATOM 1208 CD2 HIS A 165 6.875 -2.161 -0.548 1.00 30.40 C ATOM 1209 CE1 HIS A 165 7.989 -1.313 -2.236 1.00 21.13 C ATOM 1210 NE2 HIS A 165 8.062 -1.596 -0.947 1.00 71.12 N ATOM 0 H HIS A 165 5.822 -4.255 -3.582 1.00 33.13 H new ATOM 0 HA HIS A 165 4.694 -4.678 -0.888 1.00 2.23 H new ATOM 0 HB2 HIS A 165 4.236 -2.295 -2.694 1.00 32.11 H new ATOM 0 HB3 HIS A 165 4.071 -2.391 -0.952 1.00 32.11 H new ATOM 0 HD1 HIS A 165 6.467 -1.573 -3.635 1.00 34.33 H new ATOM 0 HD2 HIS A 165 6.629 -2.499 0.448 1.00 30.40 H new ATOM 0 HE1 HIS A 165 8.771 -0.861 -2.829 1.00 21.13 H new ATOM 1218 N THR A 166 2.310 -5.020 -1.552 1.00 22.32 N ATOM 1219 CA THR A 166 0.974 -5.437 -1.955 1.00 51.04 C ATOM 1220 C THR A 166 -0.096 -4.711 -1.148 1.00 31.12 C ATOM 1221 O THR A 166 -0.304 -5.003 0.031 1.00 62.43 O ATOM 1222 CB THR A 166 0.784 -6.957 -1.788 1.00 0.05 C ATOM 1223 OG1 THR A 166 1.887 -7.511 -1.061 1.00 41.32 O ATOM 1224 CG2 THR A 166 0.668 -7.641 -3.142 1.00 31.10 C ATOM 0 H THR A 166 2.468 -5.026 -0.544 1.00 22.32 H new ATOM 0 HA THR A 166 0.868 -5.179 -3.009 1.00 51.04 H new ATOM 0 HB THR A 166 -0.139 -7.127 -1.234 1.00 0.05 H new ATOM 0 HG1 THR A 166 2.014 -7.011 -0.228 1.00 41.32 H new ATOM 0 HG21 THR A 166 0.535 -8.713 -2.998 1.00 31.10 H new ATOM 0 HG22 THR A 166 -0.189 -7.238 -3.681 1.00 31.10 H new ATOM 0 HG23 THR A 166 1.576 -7.463 -3.719 1.00 31.10 H new ATOM 1232 N LEU A 167 -0.772 -3.764 -1.789 1.00 34.34 N ATOM 1233 CA LEU A 167 -1.823 -2.996 -1.129 1.00 52.41 C ATOM 1234 C LEU A 167 -3.014 -3.884 -0.786 1.00 32.23 C ATOM 1235 O LEU A 167 -3.441 -4.706 -1.597 1.00 15.12 O ATOM 1236 CB LEU A 167 -2.274 -1.840 -2.023 1.00 55.00 C ATOM 1237 CG LEU A 167 -3.516 -1.078 -1.559 1.00 42.12 C ATOM 1238 CD1 LEU A 167 -3.321 -0.551 -0.145 1.00 71.14 C ATOM 1239 CD2 LEU A 167 -3.831 0.063 -2.517 1.00 25.22 C ATOM 0 H LEU A 167 -0.612 -3.509 -2.764 1.00 34.34 H new ATOM 0 HA LEU A 167 -1.416 -2.593 -0.201 1.00 52.41 H new ATOM 0 HB2 LEU A 167 -1.450 -1.132 -2.111 1.00 55.00 H new ATOM 0 HB3 LEU A 167 -2.465 -2.233 -3.022 1.00 55.00 H new ATOM 0 HG LEU A 167 -4.361 -1.766 -1.555 1.00 42.12 H new ATOM 0 HD11 LEU A 167 -4.215 -0.011 0.169 1.00 71.14 H new ATOM 0 HD12 LEU A 167 -3.144 -1.386 0.533 1.00 71.14 H new ATOM 0 HD13 LEU A 167 -2.464 0.122 -0.123 1.00 71.14 H new ATOM 0 HD21 LEU A 167 -4.718 0.594 -2.171 1.00 25.22 H new ATOM 0 HD22 LEU A 167 -2.987 0.751 -2.553 1.00 25.22 H new ATOM 0 HD23 LEU A 167 -4.014 -0.339 -3.514 1.00 25.22 H new ATOM 1251 N ILE A 168 -3.547 -3.712 0.420 1.00 52.24 N ATOM 1252 CA ILE A 168 -4.691 -4.496 0.868 1.00 4.52 C ATOM 1253 C ILE A 168 -5.701 -3.623 1.603 1.00 14.02 C ATOM 1254 O ILE A 168 -5.346 -2.874 2.513 1.00 20.55 O ATOM 1255 CB ILE A 168 -4.256 -5.649 1.793 1.00 2.51 C ATOM 1256 CG1 ILE A 168 -3.190 -6.507 1.108 1.00 10.41 C ATOM 1257 CG2 ILE A 168 -5.457 -6.496 2.182 1.00 72.54 C ATOM 1258 CD1 ILE A 168 -2.920 -7.815 1.817 1.00 1.35 C ATOM 0 H ILE A 168 -3.205 -3.037 1.104 1.00 52.24 H new ATOM 0 HA ILE A 168 -5.157 -4.913 -0.025 1.00 4.52 H new ATOM 0 HB ILE A 168 -3.826 -5.226 2.700 1.00 2.51 H new ATOM 0 HG12 ILE A 168 -3.505 -6.716 0.086 1.00 10.41 H new ATOM 0 HG13 ILE A 168 -2.262 -5.938 1.046 1.00 10.41 H new ATOM 0 HG21 ILE A 168 -5.134 -7.307 2.835 1.00 72.54 H new ATOM 0 HG22 ILE A 168 -6.185 -5.876 2.705 1.00 72.54 H new ATOM 0 HG23 ILE A 168 -5.914 -6.913 1.285 1.00 72.54 H new ATOM 0 HD11 ILE A 168 -2.154 -8.371 1.276 1.00 1.35 H new ATOM 0 HD12 ILE A 168 -2.574 -7.615 2.831 1.00 1.35 H new ATOM 0 HD13 ILE A 168 -3.836 -8.404 1.856 1.00 1.35 H new ATOM 1270 N VAL A 169 -6.965 -3.724 1.203 1.00 31.42 N ATOM 1271 CA VAL A 169 -8.029 -2.946 1.826 1.00 50.12 C ATOM 1272 C VAL A 169 -9.166 -3.846 2.296 1.00 65.44 C ATOM 1273 O VAL A 169 -9.810 -4.521 1.493 1.00 12.21 O ATOM 1274 CB VAL A 169 -8.593 -1.891 0.856 1.00 1.42 C ATOM 1275 CG1 VAL A 169 -9.694 -1.082 1.528 1.00 3.22 C ATOM 1276 CG2 VAL A 169 -7.482 -0.980 0.356 1.00 51.22 C ATOM 0 H VAL A 169 -7.277 -4.337 0.450 1.00 31.42 H new ATOM 0 HA VAL A 169 -7.590 -2.441 2.687 1.00 50.12 H new ATOM 0 HB VAL A 169 -9.025 -2.406 -0.002 1.00 1.42 H new ATOM 0 HG11 VAL A 169 -10.081 -0.342 0.828 1.00 3.22 H new ATOM 0 HG12 VAL A 169 -10.501 -1.749 1.833 1.00 3.22 H new ATOM 0 HG13 VAL A 169 -9.290 -0.576 2.405 1.00 3.22 H new ATOM 0 HG21 VAL A 169 -7.898 -0.241 -0.328 1.00 51.22 H new ATOM 0 HG22 VAL A 169 -7.020 -0.472 1.202 1.00 51.22 H new ATOM 0 HG23 VAL A 169 -6.731 -1.574 -0.165 1.00 51.22 H new ATOM 1286 N ASP A 170 -9.406 -3.853 3.602 1.00 2.44 N ATOM 1287 CA ASP A 170 -10.467 -4.670 4.181 1.00 3.55 C ATOM 1288 C ASP A 170 -10.187 -6.154 3.967 1.00 23.35 C ATOM 1289 O ASP A 170 -11.089 -6.925 3.644 1.00 21.22 O ATOM 1290 CB ASP A 170 -11.817 -4.299 3.567 1.00 34.24 C ATOM 1291 CG ASP A 170 -12.933 -4.276 4.593 1.00 40.20 C ATOM 1292 OD1 ASP A 170 -12.944 -5.157 5.478 1.00 32.12 O ATOM 1293 OD2 ASP A 170 -13.795 -3.376 4.512 1.00 11.02 O ATOM 0 H ASP A 170 -8.880 -3.302 4.281 1.00 2.44 H new ATOM 0 HA ASP A 170 -10.499 -4.476 5.253 1.00 3.55 H new ATOM 0 HB2 ASP A 170 -11.741 -3.319 3.095 1.00 34.24 H new ATOM 0 HB3 ASP A 170 -12.064 -5.013 2.782 1.00 34.24 H new ATOM 1298 N ASN A 171 -8.930 -6.547 4.149 1.00 53.35 N ATOM 1299 CA ASN A 171 -8.531 -7.938 3.975 1.00 54.34 C ATOM 1300 C ASN A 171 -8.756 -8.392 2.535 1.00 52.21 C ATOM 1301 O ASN A 171 -9.244 -9.496 2.291 1.00 41.11 O ATOM 1302 CB ASN A 171 -9.312 -8.838 4.933 1.00 74.34 C ATOM 1303 CG ASN A 171 -8.458 -9.952 5.506 1.00 32.21 C ATOM 1304 OD1 ASN A 171 -8.119 -10.910 4.811 1.00 2.34 O ATOM 1305 ND2 ASN A 171 -8.107 -9.831 6.781 1.00 11.02 N ATOM 0 H ASN A 171 -8.171 -5.921 4.417 1.00 53.35 H new ATOM 0 HA ASN A 171 -7.467 -8.016 4.200 1.00 54.34 H new ATOM 0 HB2 ASN A 171 -9.713 -8.235 5.748 1.00 74.34 H new ATOM 0 HB3 ASN A 171 -10.164 -9.270 4.408 1.00 74.34 H new ATOM 0 HD21 ASN A 171 -7.533 -10.550 7.222 1.00 11.02 H new ATOM 0 HD22 ASN A 171 -8.411 -9.019 7.319 1.00 11.02 H new ATOM 1312 N ARG A 172 -8.396 -7.534 1.587 1.00 32.11 N ATOM 1313 CA ARG A 172 -8.559 -7.845 0.172 1.00 32.52 C ATOM 1314 C ARG A 172 -7.340 -7.395 -0.628 1.00 41.23 C ATOM 1315 O ARG A 172 -6.954 -6.228 -0.584 1.00 32.33 O ATOM 1316 CB ARG A 172 -9.819 -7.176 -0.378 1.00 34.31 C ATOM 1317 CG ARG A 172 -11.103 -7.669 0.268 1.00 34.44 C ATOM 1318 CD ARG A 172 -12.261 -7.662 -0.716 1.00 15.31 C ATOM 1319 NE ARG A 172 -12.803 -9.000 -0.934 1.00 51.34 N ATOM 1320 CZ ARG A 172 -13.534 -9.652 -0.037 1.00 72.44 C ATOM 1321 NH1 ARG A 172 -13.809 -9.092 1.132 1.00 63.40 N ATOM 1322 NH2 ARG A 172 -13.991 -10.868 -0.310 1.00 55.03 N ATOM 0 H ARG A 172 -7.989 -6.617 1.773 1.00 32.11 H new ATOM 0 HA ARG A 172 -8.658 -8.926 0.073 1.00 32.52 H new ATOM 0 HB2 ARG A 172 -9.740 -6.098 -0.234 1.00 34.31 H new ATOM 0 HB3 ARG A 172 -9.873 -7.350 -1.453 1.00 34.31 H new ATOM 0 HG2 ARG A 172 -10.955 -8.679 0.650 1.00 34.44 H new ATOM 0 HG3 ARG A 172 -11.347 -7.038 1.123 1.00 34.44 H new ATOM 0 HD2 ARG A 172 -13.049 -7.008 -0.343 1.00 15.31 H new ATOM 0 HD3 ARG A 172 -11.926 -7.247 -1.667 1.00 15.31 H new ATOM 0 HE ARG A 172 -12.610 -9.459 -1.824 1.00 51.34 H new ATOM 0 HH11 ARG A 172 -13.459 -8.158 1.345 1.00 63.40 H new ATOM 0 HH12 ARG A 172 -14.371 -9.595 1.819 1.00 63.40 H new ATOM 0 HH21 ARG A 172 -13.781 -11.302 -1.209 1.00 55.03 H new ATOM 0 HH22 ARG A 172 -14.552 -11.368 0.379 1.00 55.03 H new ATOM 1336 N GLU A 173 -6.739 -8.330 -1.358 1.00 14.04 N ATOM 1337 CA GLU A 173 -5.563 -8.029 -2.166 1.00 54.31 C ATOM 1338 C GLU A 173 -5.895 -7.006 -3.249 1.00 53.05 C ATOM 1339 O GLU A 173 -7.004 -6.992 -3.785 1.00 52.13 O ATOM 1340 CB GLU A 173 -5.015 -9.306 -2.806 1.00 10.01 C ATOM 1341 CG GLU A 173 -3.498 -9.365 -2.844 1.00 45.41 C ATOM 1342 CD GLU A 173 -2.966 -10.781 -2.749 1.00 30.12 C ATOM 1343 OE1 GLU A 173 -3.382 -11.509 -1.824 1.00 33.13 O ATOM 1344 OE2 GLU A 173 -2.133 -11.161 -3.598 1.00 31.51 O ATOM 0 H GLU A 173 -7.047 -9.301 -1.406 1.00 14.04 H new ATOM 0 HA GLU A 173 -4.802 -7.605 -1.510 1.00 54.31 H new ATOM 0 HB2 GLU A 173 -5.390 -10.168 -2.255 1.00 10.01 H new ATOM 0 HB3 GLU A 173 -5.399 -9.386 -3.823 1.00 10.01 H new ATOM 0 HG2 GLU A 173 -3.144 -8.909 -3.769 1.00 45.41 H new ATOM 0 HG3 GLU A 173 -3.095 -8.774 -2.022 1.00 45.41 H new ATOM 1351 N ILE A 174 -4.928 -6.152 -3.565 1.00 42.14 N ATOM 1352 CA ILE A 174 -5.117 -5.127 -4.584 1.00 22.02 C ATOM 1353 C ILE A 174 -4.099 -5.277 -5.710 1.00 51.31 C ATOM 1354 O ILE A 174 -2.897 -5.409 -5.480 1.00 33.14 O ATOM 1355 CB ILE A 174 -5.000 -3.712 -3.987 1.00 73.01 C ATOM 1356 CG1 ILE A 174 -6.082 -3.492 -2.927 1.00 2.34 C ATOM 1357 CG2 ILE A 174 -5.106 -2.664 -5.085 1.00 22.54 C ATOM 1358 CD1 ILE A 174 -7.040 -2.372 -3.266 1.00 33.24 C ATOM 0 H ILE A 174 -4.005 -6.149 -3.130 1.00 42.14 H new ATOM 0 HA ILE A 174 -6.122 -5.262 -4.985 1.00 22.02 H new ATOM 0 HB ILE A 174 -4.025 -3.613 -3.510 1.00 73.01 H new ATOM 0 HG12 ILE A 174 -6.646 -4.416 -2.798 1.00 2.34 H new ATOM 0 HG13 ILE A 174 -5.605 -3.274 -1.972 1.00 2.34 H new ATOM 0 HG21 ILE A 174 -5.022 -1.669 -4.648 1.00 22.54 H new ATOM 0 HG22 ILE A 174 -4.304 -2.812 -5.808 1.00 22.54 H new ATOM 0 HG23 ILE A 174 -6.069 -2.759 -5.587 1.00 22.54 H new ATOM 0 HD11 ILE A 174 -7.779 -2.273 -2.471 1.00 33.24 H new ATOM 0 HD12 ILE A 174 -6.487 -1.438 -3.366 1.00 33.24 H new ATOM 0 HD13 ILE A 174 -7.545 -2.597 -4.205 1.00 33.24 H new ATOM 1370 N PRO A 175 -4.590 -5.254 -6.958 1.00 12.44 N ATOM 1371 CA PRO A 175 -3.740 -5.383 -8.146 1.00 24.13 C ATOM 1372 C PRO A 175 -2.860 -4.158 -8.365 1.00 22.14 C ATOM 1373 O PRO A 175 -3.325 -3.023 -8.271 1.00 35.54 O ATOM 1374 CB PRO A 175 -4.748 -5.529 -9.289 1.00 20.35 C ATOM 1375 CG PRO A 175 -5.984 -4.863 -8.791 1.00 3.20 C ATOM 1376 CD PRO A 175 -6.012 -5.099 -7.306 1.00 73.22 C ATOM 0 HA PRO A 175 -3.046 -6.219 -8.062 1.00 24.13 H new ATOM 0 HB2 PRO A 175 -4.384 -5.056 -10.201 1.00 20.35 H new ATOM 0 HB3 PRO A 175 -4.931 -6.577 -9.524 1.00 20.35 H new ATOM 0 HG2 PRO A 175 -5.971 -3.797 -9.016 1.00 3.20 H new ATOM 0 HG3 PRO A 175 -6.871 -5.279 -9.269 1.00 3.20 H new ATOM 0 HD2 PRO A 175 -6.467 -4.263 -6.775 1.00 73.22 H new ATOM 0 HD3 PRO A 175 -6.587 -5.989 -7.051 1.00 73.22 H new ATOM 1384 N GLU A 176 -1.584 -4.395 -8.656 1.00 61.42 N ATOM 1385 CA GLU A 176 -0.639 -3.309 -8.888 1.00 75.31 C ATOM 1386 C GLU A 176 -0.560 -2.965 -10.372 1.00 64.12 C ATOM 1387 O GLU A 176 -0.085 -3.763 -11.182 1.00 44.32 O ATOM 1388 CB GLU A 176 0.748 -3.691 -8.366 1.00 53.13 C ATOM 1389 CG GLU A 176 1.749 -2.548 -8.407 1.00 20.21 C ATOM 1390 CD GLU A 176 2.953 -2.858 -9.274 1.00 61.32 C ATOM 1391 OE1 GLU A 176 3.453 -4.000 -9.208 1.00 5.15 O ATOM 1392 OE2 GLU A 176 3.395 -1.959 -10.020 1.00 71.00 O ATOM 0 H GLU A 176 -1.182 -5.329 -8.737 1.00 61.42 H new ATOM 0 HA GLU A 176 -0.993 -2.431 -8.348 1.00 75.31 H new ATOM 0 HB2 GLU A 176 0.656 -4.046 -7.339 1.00 53.13 H new ATOM 0 HB3 GLU A 176 1.133 -4.522 -8.957 1.00 53.13 H new ATOM 0 HG2 GLU A 176 1.256 -1.652 -8.783 1.00 20.21 H new ATOM 0 HG3 GLU A 176 2.083 -2.326 -7.393 1.00 20.21 H new