USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=17 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 -129:sc= 0 (180deg=-0.0819) USER MOD Set 1.2: A 138 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 98 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 165 HIS : no HD1:sc= -0.878 X(o=-0.88,f=-0.4) USER MOD Set 3.1: A 96 THR OG1 : rot -27:sc= 0.111 USER MOD Set 3.2: A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc=-0.00228 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 122 CYS SG : rot 180:sc= -3.39! USER MOD Single : A 123 ASN : amide:sc= -0.18 K(o=-0.18,f=-1.5!) 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 -115:sc= -6.46! (180deg=-10.4!) USER MOD Single : A 129 THR OG1 : rot -160:sc= -0.0124 USER MOD Single : A 140 THR OG1 : rot 69:sc= 1.14 USER MOD Single : A 141 HIS : no HD1:sc= -0.613 X(o=-0.61,f=-0.36) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 146 ASN : amide:sc= -0.0687 X(o=-0.069,f=0) USER MOD Single : A 147 HIS : no HD1:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 149 CYS SG : rot 150:sc= -3.87! USER MOD Single : A 150 TYR OH : rot -15:sc= -0.231 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 -59:sc= 0.793 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 66:sc= 1.23 USER MOD Single : A 171 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 145 N THR A 96 11.014 0.234 -7.676 1.00 61.12 N ATOM 146 CA THR A 96 11.365 1.604 -7.323 1.00 54.21 C ATOM 147 C THR A 96 10.140 2.384 -6.860 1.00 73.45 C ATOM 148 O THR A 96 10.242 3.283 -6.026 1.00 11.00 O ATOM 149 CB THR A 96 12.010 2.342 -8.512 1.00 5.03 C ATOM 150 OG1 THR A 96 11.160 2.258 -9.661 1.00 72.32 O ATOM 151 CG2 THR A 96 13.373 1.752 -8.839 1.00 43.22 C ATOM 0 HA THR A 96 12.085 1.546 -6.506 1.00 54.21 H new ATOM 0 HB THR A 96 12.141 3.388 -8.234 1.00 5.03 H new ATOM 0 HG1 THR A 96 10.616 1.444 -9.607 1.00 72.32 H new ATOM 0 HG21 THR A 96 13.809 2.289 -9.681 1.00 43.22 H new ATOM 0 HG22 THR A 96 14.027 1.844 -7.972 1.00 43.22 H new ATOM 0 HG23 THR A 96 13.261 0.699 -9.098 1.00 43.22 H new ATOM 159 N THR A 97 8.979 2.033 -7.407 1.00 2.25 N ATOM 160 CA THR A 97 7.734 2.701 -7.050 1.00 30.43 C ATOM 161 C THR A 97 6.528 1.834 -7.394 1.00 71.01 C ATOM 162 O THR A 97 6.397 1.355 -8.521 1.00 10.54 O ATOM 163 CB THR A 97 7.598 4.058 -7.766 1.00 22.54 C ATOM 164 OG1 THR A 97 8.201 3.989 -9.063 1.00 23.05 O ATOM 165 CG2 THR A 97 8.253 5.165 -6.954 1.00 43.31 C ATOM 0 H THR A 97 8.876 1.290 -8.098 1.00 2.25 H new ATOM 0 HA THR A 97 7.763 2.869 -5.973 1.00 30.43 H new ATOM 0 HB THR A 97 6.537 4.285 -7.871 1.00 22.54 H new ATOM 0 HG1 THR A 97 8.109 4.855 -9.513 1.00 23.05 H new ATOM 0 HG21 THR A 97 8.145 6.114 -7.479 1.00 43.31 H new ATOM 0 HG22 THR A 97 7.773 5.233 -5.978 1.00 43.31 H new ATOM 0 HG23 THR A 97 9.312 4.942 -6.822 1.00 43.31 H new ATOM 173 N SER A 98 5.648 1.638 -6.418 1.00 20.23 N ATOM 174 CA SER A 98 4.453 0.826 -6.617 1.00 74.32 C ATOM 175 C SER A 98 3.211 1.705 -6.723 1.00 51.33 C ATOM 176 O SER A 98 3.167 2.808 -6.177 1.00 30.45 O ATOM 177 CB SER A 98 4.290 -0.170 -5.468 1.00 33.43 C ATOM 178 OG SER A 98 4.960 -1.387 -5.748 1.00 74.22 O ATOM 0 H SER A 98 5.740 2.030 -5.481 1.00 20.23 H new ATOM 0 HA SER A 98 4.569 0.276 -7.551 1.00 74.32 H new ATOM 0 HB2 SER A 98 4.685 0.263 -4.549 1.00 33.43 H new ATOM 0 HB3 SER A 98 3.231 -0.365 -5.299 1.00 33.43 H new ATOM 0 HG SER A 98 4.842 -2.006 -4.997 1.00 74.22 H new ATOM 184 N THR A 99 2.201 1.209 -7.431 1.00 31.31 N ATOM 185 CA THR A 99 0.958 1.948 -7.611 1.00 34.31 C ATOM 186 C THR A 99 -0.235 1.003 -7.707 1.00 32.21 C ATOM 187 O THR A 99 -0.168 -0.030 -8.373 1.00 1.00 O ATOM 188 CB THR A 99 1.005 2.827 -8.875 1.00 50.24 C ATOM 189 OG1 THR A 99 2.138 3.701 -8.823 1.00 23.42 O ATOM 190 CG2 THR A 99 -0.269 3.648 -9.011 1.00 63.13 C ATOM 0 H THR A 99 2.220 0.298 -7.889 1.00 31.31 H new ATOM 0 HA THR A 99 0.842 2.588 -6.736 1.00 34.31 H new ATOM 0 HB THR A 99 1.091 2.172 -9.742 1.00 50.24 H new ATOM 0 HG1 THR A 99 2.161 4.255 -9.631 1.00 23.42 H new ATOM 0 HG21 THR A 99 -0.213 4.261 -9.911 1.00 63.13 H new ATOM 0 HG22 THR A 99 -1.127 2.979 -9.080 1.00 63.13 H new ATOM 0 HG23 THR A 99 -0.381 4.293 -8.139 1.00 63.13 H new ATOM 198 N TRP A 100 -1.324 1.364 -7.039 1.00 32.45 N ATOM 199 CA TRP A 100 -2.532 0.547 -7.049 1.00 52.12 C ATOM 200 C TRP A 100 -3.758 1.393 -7.379 1.00 25.15 C ATOM 201 O TRP A 100 -3.757 2.608 -7.182 1.00 50.40 O ATOM 202 CB TRP A 100 -2.721 -0.140 -5.696 1.00 41.12 C ATOM 203 CG TRP A 100 -1.536 -0.957 -5.275 1.00 11.12 C ATOM 204 CD1 TRP A 100 -1.306 -2.273 -5.558 1.00 12.25 C ATOM 205 CD2 TRP A 100 -0.423 -0.511 -4.493 1.00 44.14 C ATOM 206 NE1 TRP A 100 -0.116 -2.672 -5.000 1.00 31.33 N ATOM 207 CE2 TRP A 100 0.446 -1.610 -4.342 1.00 64.53 C ATOM 208 CE3 TRP A 100 -0.073 0.709 -3.910 1.00 23.21 C ATOM 209 CZ2 TRP A 100 1.639 -1.523 -3.630 1.00 43.30 C ATOM 210 CZ3 TRP A 100 1.112 0.793 -3.203 1.00 14.22 C ATOM 211 CH2 TRP A 100 1.956 -0.317 -3.068 1.00 0.41 C ATOM 0 H TRP A 100 -1.396 2.217 -6.484 1.00 32.45 H new ATOM 0 HA TRP A 100 -2.419 -0.214 -7.821 1.00 52.12 H new ATOM 0 HB2 TRP A 100 -2.920 0.616 -4.937 1.00 41.12 H new ATOM 0 HB3 TRP A 100 -3.599 -0.784 -5.743 1.00 41.12 H new ATOM 0 HD1 TRP A 100 -1.963 -2.907 -6.135 1.00 12.25 H new ATOM 0 HE1 TRP A 100 0.285 -3.608 -5.065 1.00 31.33 H new ATOM 0 HE3 TRP A 100 -0.716 1.571 -4.010 1.00 23.21 H new ATOM 0 HZ2 TRP A 100 2.291 -2.377 -3.525 1.00 43.30 H new ATOM 0 HZ3 TRP A 100 1.392 1.731 -2.747 1.00 14.22 H new ATOM 0 HH2 TRP A 100 2.875 -0.219 -2.509 1.00 0.41 H new ATOM 222 N VAL A 101 -4.804 0.742 -7.880 1.00 44.31 N ATOM 223 CA VAL A 101 -6.036 1.434 -8.236 1.00 2.44 C ATOM 224 C VAL A 101 -7.249 0.756 -7.609 1.00 23.55 C ATOM 225 O VAL A 101 -7.573 -0.387 -7.937 1.00 42.52 O ATOM 226 CB VAL A 101 -6.227 1.494 -9.762 1.00 63.25 C ATOM 227 CG1 VAL A 101 -7.393 2.402 -10.121 1.00 1.03 C ATOM 228 CG2 VAL A 101 -4.948 1.961 -10.441 1.00 40.24 C ATOM 0 H VAL A 101 -4.822 -0.264 -8.048 1.00 44.31 H new ATOM 0 HA VAL A 101 -5.950 2.449 -7.849 1.00 2.44 H new ATOM 0 HB VAL A 101 -6.457 0.491 -10.121 1.00 63.25 H new ATOM 0 HG11 VAL A 101 -7.511 2.431 -11.204 1.00 1.03 H new ATOM 0 HG12 VAL A 101 -8.306 2.018 -9.666 1.00 1.03 H new ATOM 0 HG13 VAL A 101 -7.198 3.408 -9.750 1.00 1.03 H new ATOM 0 HG21 VAL A 101 -5.101 1.998 -11.520 1.00 40.24 H new ATOM 0 HG22 VAL A 101 -4.685 2.955 -10.078 1.00 40.24 H new ATOM 0 HG23 VAL A 101 -4.140 1.266 -10.213 1.00 40.24 H new ATOM 238 N LEU A 102 -7.916 1.464 -6.704 1.00 45.14 N ATOM 239 CA LEU A 102 -9.094 0.930 -6.031 1.00 23.24 C ATOM 240 C LEU A 102 -10.153 2.011 -5.849 1.00 33.15 C ATOM 241 O LEU A 102 -9.832 3.186 -5.667 1.00 45.45 O ATOM 242 CB LEU A 102 -8.707 0.344 -4.672 1.00 1.53 C ATOM 243 CG LEU A 102 -8.329 1.355 -3.589 1.00 33.14 C ATOM 244 CD1 LEU A 102 -8.968 0.978 -2.260 1.00 42.13 C ATOM 245 CD2 LEU A 102 -6.817 1.445 -3.448 1.00 25.00 C ATOM 0 H LEU A 102 -7.661 2.410 -6.420 1.00 45.14 H new ATOM 0 HA LEU A 102 -9.512 0.140 -6.654 1.00 23.24 H new ATOM 0 HB2 LEU A 102 -9.541 -0.255 -4.306 1.00 1.53 H new ATOM 0 HB3 LEU A 102 -7.866 -0.334 -4.817 1.00 1.53 H new ATOM 0 HG LEU A 102 -8.706 2.334 -3.886 1.00 33.14 H new ATOM 0 HD11 LEU A 102 -8.688 1.709 -1.501 1.00 42.13 H new ATOM 0 HD12 LEU A 102 -10.053 0.965 -2.368 1.00 42.13 H new ATOM 0 HD13 LEU A 102 -8.622 -0.010 -1.957 1.00 42.13 H new ATOM 0 HD21 LEU A 102 -6.566 2.169 -2.673 1.00 25.00 H new ATOM 0 HD22 LEU A 102 -6.418 0.468 -3.175 1.00 25.00 H new ATOM 0 HD23 LEU A 102 -6.381 1.762 -4.395 1.00 25.00 H new ATOM 257 N ARG A 103 -11.418 1.607 -5.895 1.00 74.41 N ATOM 258 CA ARG A 103 -12.526 2.542 -5.734 1.00 73.42 C ATOM 259 C ARG A 103 -12.673 2.964 -4.275 1.00 52.31 C ATOM 260 O ARG A 103 -13.352 2.301 -3.491 1.00 60.20 O ATOM 261 CB ARG A 103 -13.829 1.911 -6.227 1.00 34.40 C ATOM 262 CG ARG A 103 -14.822 2.918 -6.785 1.00 62.11 C ATOM 263 CD ARG A 103 -14.703 3.038 -8.296 1.00 45.40 C ATOM 264 NE ARG A 103 -15.982 3.358 -8.922 1.00 71.22 N ATOM 265 CZ ARG A 103 -16.954 2.471 -9.103 1.00 71.31 C ATOM 266 NH1 ARG A 103 -16.793 1.215 -8.706 1.00 4.42 N ATOM 267 NH2 ARG A 103 -18.091 2.838 -9.681 1.00 31.21 N ATOM 0 H ARG A 103 -11.702 0.638 -6.042 1.00 74.41 H new ATOM 0 HA ARG A 103 -12.311 3.428 -6.331 1.00 73.42 H new ATOM 0 HB2 ARG A 103 -13.598 1.176 -6.998 1.00 34.40 H new ATOM 0 HB3 ARG A 103 -14.296 1.372 -5.403 1.00 34.40 H new ATOM 0 HG2 ARG A 103 -15.836 2.616 -6.522 1.00 62.11 H new ATOM 0 HG3 ARG A 103 -14.651 3.892 -6.327 1.00 62.11 H new ATOM 0 HD2 ARG A 103 -13.976 3.812 -8.542 1.00 45.40 H new ATOM 0 HD3 ARG A 103 -14.323 2.102 -8.705 1.00 45.40 H new ATOM 0 HE ARG A 103 -16.138 4.315 -9.238 1.00 71.22 H new ATOM 0 HH11 ARG A 103 -15.921 0.929 -8.261 1.00 4.42 H new ATOM 0 HH12 ARG A 103 -17.541 0.536 -8.846 1.00 4.42 H new ATOM 0 HH21 ARG A 103 -18.219 3.802 -9.987 1.00 31.21 H new ATOM 0 HH22 ARG A 103 -18.836 2.156 -9.819 1.00 31.21 H new ATOM 281 N LEU A 104 -12.032 4.072 -3.918 1.00 43.12 N ATOM 282 CA LEU A 104 -12.090 4.583 -2.553 1.00 43.43 C ATOM 283 C LEU A 104 -12.637 6.007 -2.529 1.00 5.22 C ATOM 284 O LEU A 104 -12.497 6.753 -3.499 1.00 31.33 O ATOM 285 CB LEU A 104 -10.701 4.547 -1.914 1.00 65.34 C ATOM 286 CG LEU A 104 -10.656 4.212 -0.423 1.00 70.13 C ATOM 287 CD1 LEU A 104 -9.505 3.265 -0.123 1.00 13.30 C ATOM 288 CD2 LEU A 104 -10.534 5.483 0.405 1.00 34.54 C ATOM 0 H LEU A 104 -11.466 4.633 -4.555 1.00 43.12 H new ATOM 0 HA LEU A 104 -12.763 3.945 -1.980 1.00 43.43 H new ATOM 0 HB2 LEU A 104 -10.096 3.815 -2.449 1.00 65.34 H new ATOM 0 HB3 LEU A 104 -10.230 5.519 -2.062 1.00 65.34 H new ATOM 0 HG LEU A 104 -11.588 3.714 -0.153 1.00 70.13 H new ATOM 0 HD11 LEU A 104 -9.489 3.038 0.943 1.00 13.30 H new ATOM 0 HD12 LEU A 104 -9.636 2.342 -0.689 1.00 13.30 H new ATOM 0 HD13 LEU A 104 -8.564 3.735 -0.408 1.00 13.30 H new ATOM 0 HD21 LEU A 104 -10.503 5.226 1.464 1.00 34.54 H new ATOM 0 HD22 LEU A 104 -9.619 6.008 0.132 1.00 34.54 H new ATOM 0 HD23 LEU A 104 -11.393 6.126 0.213 1.00 34.54 H new ATOM 300 N ASP A 105 -13.256 6.378 -1.414 1.00 24.01 N ATOM 301 CA ASP A 105 -13.820 7.714 -1.262 1.00 34.25 C ATOM 302 C ASP A 105 -14.965 7.936 -2.245 1.00 40.33 C ATOM 303 O ASP A 105 -15.394 9.067 -2.469 1.00 45.31 O ATOM 304 CB ASP A 105 -12.739 8.775 -1.470 1.00 43.25 C ATOM 305 CG ASP A 105 -12.514 9.625 -0.235 1.00 61.51 C ATOM 306 OD1 ASP A 105 -13.393 10.451 0.086 1.00 51.22 O ATOM 307 OD2 ASP A 105 -11.458 9.461 0.413 1.00 50.04 O ATOM 0 H ASP A 105 -13.380 5.773 -0.602 1.00 24.01 H new ATOM 0 HA ASP A 105 -14.213 7.802 -0.249 1.00 34.25 H new ATOM 0 HB2 ASP A 105 -11.804 8.287 -1.747 1.00 43.25 H new ATOM 0 HB3 ASP A 105 -13.022 9.418 -2.303 1.00 43.25 H new ATOM 312 N GLY A 106 -15.456 6.848 -2.830 1.00 61.32 N ATOM 313 CA GLY A 106 -16.545 6.946 -3.784 1.00 34.43 C ATOM 314 C GLY A 106 -16.056 7.150 -5.204 1.00 21.50 C ATOM 315 O GLY A 106 -16.855 7.262 -6.132 1.00 54.14 O ATOM 0 H GLY A 106 -15.119 5.900 -2.660 1.00 61.32 H new ATOM 0 HA2 GLY A 106 -17.147 6.039 -3.737 1.00 34.43 H new ATOM 0 HA3 GLY A 106 -17.195 7.775 -3.504 1.00 34.43 H new ATOM 319 N GLU A 107 -14.738 7.200 -5.373 1.00 53.22 N ATOM 320 CA GLU A 107 -14.145 7.396 -6.690 1.00 2.01 C ATOM 321 C GLU A 107 -12.909 6.518 -6.866 1.00 73.32 C ATOM 322 O GLU A 107 -12.455 5.870 -5.922 1.00 40.11 O ATOM 323 CB GLU A 107 -13.772 8.866 -6.893 1.00 42.41 C ATOM 324 CG GLU A 107 -12.583 9.313 -6.060 1.00 13.53 C ATOM 325 CD GLU A 107 -12.450 10.822 -5.996 1.00 42.44 C ATOM 326 OE1 GLU A 107 -12.944 11.502 -6.920 1.00 61.23 O ATOM 327 OE2 GLU A 107 -11.852 11.324 -5.022 1.00 24.14 O ATOM 0 H GLU A 107 -14.062 7.108 -4.615 1.00 53.22 H new ATOM 0 HA GLU A 107 -14.884 7.109 -7.439 1.00 2.01 H new ATOM 0 HB2 GLU A 107 -13.550 9.033 -7.947 1.00 42.41 H new ATOM 0 HB3 GLU A 107 -14.632 9.488 -6.646 1.00 42.41 H new ATOM 0 HG2 GLU A 107 -12.683 8.918 -5.049 1.00 13.53 H new ATOM 0 HG3 GLU A 107 -11.671 8.889 -6.479 1.00 13.53 H new ATOM 334 N ASP A 108 -12.371 6.501 -8.080 1.00 43.14 N ATOM 335 CA ASP A 108 -11.188 5.703 -8.381 1.00 22.43 C ATOM 336 C ASP A 108 -9.961 6.260 -7.665 1.00 60.23 C ATOM 337 O ASP A 108 -9.242 7.101 -8.206 1.00 13.43 O ATOM 338 CB ASP A 108 -10.940 5.666 -9.890 1.00 14.41 C ATOM 339 CG ASP A 108 -12.205 5.382 -10.677 1.00 24.42 C ATOM 340 OD1 ASP A 108 -12.518 4.190 -10.885 1.00 1.51 O ATOM 341 OD2 ASP A 108 -12.881 6.349 -11.085 1.00 4.32 O ATOM 0 H ASP A 108 -12.735 7.031 -8.872 1.00 43.14 H new ATOM 0 HA ASP A 108 -11.365 4.688 -8.026 1.00 22.43 H new ATOM 0 HB2 ASP A 108 -10.523 6.621 -10.210 1.00 14.41 H new ATOM 0 HB3 ASP A 108 -10.196 4.901 -10.115 1.00 14.41 H new ATOM 346 N LEU A 109 -9.727 5.786 -6.447 1.00 63.24 N ATOM 347 CA LEU A 109 -8.587 6.236 -5.656 1.00 50.24 C ATOM 348 C LEU A 109 -7.296 5.579 -6.137 1.00 15.54 C ATOM 349 O LEU A 109 -7.214 4.356 -6.245 1.00 23.55 O ATOM 350 CB LEU A 109 -8.811 5.923 -4.176 1.00 74.34 C ATOM 351 CG LEU A 109 -8.106 6.843 -3.179 1.00 43.23 C ATOM 352 CD1 LEU A 109 -9.102 7.796 -2.537 1.00 44.41 C ATOM 353 CD2 LEU A 109 -7.385 6.027 -2.118 1.00 25.22 C ATOM 0 H LEU A 109 -10.312 5.090 -5.985 1.00 63.24 H new ATOM 0 HA LEU A 109 -8.493 7.315 -5.782 1.00 50.24 H new ATOM 0 HB2 LEU A 109 -9.882 5.958 -3.976 1.00 74.34 H new ATOM 0 HB3 LEU A 109 -8.485 4.900 -3.989 1.00 74.34 H new ATOM 0 HG LEU A 109 -7.366 7.433 -3.719 1.00 43.23 H new ATOM 0 HD11 LEU A 109 -8.583 8.443 -1.830 1.00 44.41 H new ATOM 0 HD12 LEU A 109 -9.572 8.405 -3.309 1.00 44.41 H new ATOM 0 HD13 LEU A 109 -9.866 7.224 -2.011 1.00 44.41 H new ATOM 0 HD21 LEU A 109 -6.889 6.699 -1.417 1.00 25.22 H new ATOM 0 HD22 LEU A 109 -8.106 5.410 -1.581 1.00 25.22 H new ATOM 0 HD23 LEU A 109 -6.643 5.386 -2.594 1.00 25.22 H new ATOM 365 N ARG A 110 -6.292 6.401 -6.422 1.00 3.05 N ATOM 366 CA ARG A 110 -5.004 5.900 -6.890 1.00 34.34 C ATOM 367 C ARG A 110 -3.950 5.998 -5.791 1.00 73.31 C ATOM 368 O ARG A 110 -3.600 7.092 -5.348 1.00 21.11 O ATOM 369 CB ARG A 110 -4.547 6.682 -8.122 1.00 22.41 C ATOM 370 CG ARG A 110 -3.823 5.827 -9.150 1.00 51.32 C ATOM 371 CD ARG A 110 -3.145 6.684 -10.209 1.00 31.02 C ATOM 372 NE ARG A 110 -2.158 7.590 -9.629 1.00 1.35 N ATOM 373 CZ ARG A 110 -1.377 8.385 -10.351 1.00 4.14 C ATOM 374 NH1 ARG A 110 -1.467 8.387 -11.674 1.00 21.24 N ATOM 375 NH2 ARG A 110 -0.501 9.182 -9.751 1.00 31.44 N ATOM 0 H ARG A 110 -6.345 7.416 -6.337 1.00 3.05 H new ATOM 0 HA ARG A 110 -5.126 4.851 -7.159 1.00 34.34 H new ATOM 0 HB2 ARG A 110 -5.415 7.144 -8.592 1.00 22.41 H new ATOM 0 HB3 ARG A 110 -3.888 7.491 -7.805 1.00 22.41 H new ATOM 0 HG2 ARG A 110 -3.078 5.207 -8.650 1.00 51.32 H new ATOM 0 HG3 ARG A 110 -4.532 5.151 -9.627 1.00 51.32 H new ATOM 0 HD2 ARG A 110 -2.659 6.039 -10.941 1.00 31.02 H new ATOM 0 HD3 ARG A 110 -3.898 7.263 -10.744 1.00 31.02 H new ATOM 0 HE ARG A 110 -2.063 7.614 -8.614 1.00 1.35 H new ATOM 0 HH11 ARG A 110 -2.138 7.776 -12.140 1.00 21.24 H new ATOM 0 HH12 ARG A 110 -0.865 8.999 -12.225 1.00 21.24 H new ATOM 0 HH21 ARG A 110 -0.427 9.184 -8.734 1.00 31.44 H new ATOM 0 HH22 ARG A 110 0.098 9.792 -10.307 1.00 31.44 H new ATOM 389 N VAL A 111 -3.448 4.848 -5.354 1.00 75.45 N ATOM 390 CA VAL A 111 -2.435 4.803 -4.307 1.00 45.11 C ATOM 391 C VAL A 111 -1.049 4.565 -4.895 1.00 64.33 C ATOM 392 O VAL A 111 -0.889 3.800 -5.846 1.00 53.24 O ATOM 393 CB VAL A 111 -2.739 3.701 -3.276 1.00 14.22 C ATOM 394 CG1 VAL A 111 -2.390 4.171 -1.872 1.00 63.34 C ATOM 395 CG2 VAL A 111 -4.200 3.284 -3.359 1.00 14.42 C ATOM 0 H VAL A 111 -3.727 3.934 -5.710 1.00 75.45 H new ATOM 0 HA VAL A 111 -2.454 5.771 -3.807 1.00 45.11 H new ATOM 0 HB VAL A 111 -2.122 2.832 -3.506 1.00 14.22 H new ATOM 0 HG11 VAL A 111 -2.612 3.378 -1.157 1.00 63.34 H new ATOM 0 HG12 VAL A 111 -1.329 4.417 -1.824 1.00 63.34 H new ATOM 0 HG13 VAL A 111 -2.979 5.055 -1.627 1.00 63.34 H new ATOM 0 HG21 VAL A 111 -4.398 2.504 -2.624 1.00 14.42 H new ATOM 0 HG22 VAL A 111 -4.836 4.145 -3.155 1.00 14.42 H new ATOM 0 HG23 VAL A 111 -4.414 2.903 -4.358 1.00 14.42 H new ATOM 405 N VAL A 112 -0.047 5.224 -4.322 1.00 3.54 N ATOM 406 CA VAL A 112 1.327 5.083 -4.787 1.00 40.42 C ATOM 407 C VAL A 112 2.292 4.934 -3.616 1.00 61.13 C ATOM 408 O VAL A 112 2.307 5.759 -2.701 1.00 64.12 O ATOM 409 CB VAL A 112 1.757 6.290 -5.642 1.00 43.42 C ATOM 410 CG1 VAL A 112 3.217 6.164 -6.049 1.00 62.44 C ATOM 411 CG2 VAL A 112 0.863 6.421 -6.866 1.00 1.11 C ATOM 0 H VAL A 112 -0.162 5.861 -3.534 1.00 3.54 H new ATOM 0 HA VAL A 112 1.362 4.182 -5.399 1.00 40.42 H new ATOM 0 HB VAL A 112 1.649 7.194 -5.043 1.00 43.42 H new ATOM 0 HG11 VAL A 112 3.502 7.026 -6.652 1.00 62.44 H new ATOM 0 HG12 VAL A 112 3.841 6.123 -5.156 1.00 62.44 H new ATOM 0 HG13 VAL A 112 3.355 5.252 -6.630 1.00 62.44 H new ATOM 0 HG21 VAL A 112 1.181 7.279 -7.459 1.00 1.11 H new ATOM 0 HG22 VAL A 112 0.937 5.516 -7.469 1.00 1.11 H new ATOM 0 HG23 VAL A 112 -0.170 6.562 -6.549 1.00 1.11 H new ATOM 421 N LEU A 113 3.097 3.878 -3.651 1.00 74.10 N ATOM 422 CA LEU A 113 4.066 3.620 -2.592 1.00 24.31 C ATOM 423 C LEU A 113 5.491 3.830 -3.096 1.00 33.45 C ATOM 424 O LEU A 113 5.983 3.069 -3.927 1.00 64.34 O ATOM 425 CB LEU A 113 3.906 2.194 -2.062 1.00 31.12 C ATOM 426 CG LEU A 113 4.981 1.715 -1.085 1.00 53.51 C ATOM 427 CD1 LEU A 113 5.402 2.847 -0.160 1.00 45.15 C ATOM 428 CD2 LEU A 113 4.478 0.526 -0.281 1.00 72.21 C ATOM 0 H LEU A 113 3.098 3.187 -4.401 1.00 74.10 H new ATOM 0 HA LEU A 113 3.878 4.325 -1.782 1.00 24.31 H new ATOM 0 HB2 LEU A 113 2.936 2.118 -1.570 1.00 31.12 H new ATOM 0 HB3 LEU A 113 3.887 1.512 -2.912 1.00 31.12 H new ATOM 0 HG LEU A 113 5.852 1.398 -1.658 1.00 53.51 H new ATOM 0 HD11 LEU A 113 6.167 2.489 0.529 1.00 45.15 H new ATOM 0 HD12 LEU A 113 5.803 3.670 -0.751 1.00 45.15 H new ATOM 0 HD13 LEU A 113 4.538 3.194 0.407 1.00 45.15 H new ATOM 0 HD21 LEU A 113 5.256 0.198 0.409 1.00 72.21 H new ATOM 0 HD22 LEU A 113 3.592 0.817 0.283 1.00 72.21 H new ATOM 0 HD23 LEU A 113 4.226 -0.290 -0.958 1.00 72.21 H new ATOM 440 N GLU A 114 6.147 4.866 -2.584 1.00 24.34 N ATOM 441 CA GLU A 114 7.517 5.174 -2.981 1.00 34.23 C ATOM 442 C GLU A 114 8.517 4.388 -2.139 1.00 0.11 C ATOM 443 O GLU A 114 8.386 4.299 -0.917 1.00 53.31 O ATOM 444 CB GLU A 114 7.785 6.674 -2.843 1.00 41.25 C ATOM 445 CG GLU A 114 8.501 7.276 -4.041 1.00 30.14 C ATOM 446 CD GLU A 114 7.698 8.376 -4.708 1.00 71.42 C ATOM 447 OE1 GLU A 114 6.502 8.149 -4.990 1.00 31.13 O ATOM 448 OE2 GLU A 114 8.264 9.462 -4.949 1.00 34.04 O ATOM 0 H GLU A 114 5.753 5.506 -1.894 1.00 24.34 H new ATOM 0 HA GLU A 114 7.640 4.884 -4.024 1.00 34.23 H new ATOM 0 HB2 GLU A 114 6.837 7.192 -2.698 1.00 41.25 H new ATOM 0 HB3 GLU A 114 8.383 6.847 -1.948 1.00 41.25 H new ATOM 0 HG2 GLU A 114 9.463 7.676 -3.721 1.00 30.14 H new ATOM 0 HG3 GLU A 114 8.708 6.491 -4.768 1.00 30.14 H new ATOM 455 N LYS A 115 9.519 3.818 -2.800 1.00 31.24 N ATOM 456 CA LYS A 115 10.543 3.039 -2.115 1.00 63.04 C ATOM 457 C LYS A 115 11.488 3.949 -1.335 1.00 73.13 C ATOM 458 O LYS A 115 12.224 3.491 -0.461 1.00 32.11 O ATOM 459 CB LYS A 115 11.339 2.206 -3.123 1.00 35.01 C ATOM 460 CG LYS A 115 12.355 3.014 -3.912 1.00 65.52 C ATOM 461 CD LYS A 115 13.778 2.654 -3.520 1.00 72.13 C ATOM 462 CE LYS A 115 14.757 3.749 -3.913 1.00 25.00 C ATOM 463 NZ LYS A 115 16.027 3.662 -3.139 1.00 12.12 N ATOM 0 H LYS A 115 9.643 3.881 -3.810 1.00 31.24 H new ATOM 0 HA LYS A 115 10.046 2.371 -1.412 1.00 63.04 H new ATOM 0 HB2 LYS A 115 11.856 1.406 -2.593 1.00 35.01 H new ATOM 0 HB3 LYS A 115 10.646 1.732 -3.818 1.00 35.01 H new ATOM 0 HG2 LYS A 115 12.214 2.836 -4.978 1.00 65.52 H new ATOM 0 HG3 LYS A 115 12.187 4.077 -3.741 1.00 65.52 H new ATOM 0 HD2 LYS A 115 13.829 2.487 -2.444 1.00 72.13 H new ATOM 0 HD3 LYS A 115 14.064 1.719 -4.001 1.00 72.13 H new ATOM 0 HE2 LYS A 115 14.975 3.676 -4.978 1.00 25.00 H new ATOM 0 HE3 LYS A 115 14.297 4.723 -3.748 1.00 25.00 H new ATOM 0 HZ1 LYS A 115 16.668 4.425 -3.436 1.00 12.12 H new ATOM 0 HZ2 LYS A 115 15.822 3.757 -2.124 1.00 12.12 H new ATOM 0 HZ3 LYS A 115 16.479 2.742 -3.316 1.00 12.12 H new ATOM 477 N ASP A 116 11.459 5.238 -1.655 1.00 73.21 N ATOM 478 CA ASP A 116 12.310 6.212 -0.982 1.00 30.21 C ATOM 479 C ASP A 116 12.167 6.104 0.533 1.00 62.44 C ATOM 480 O ASP A 116 13.152 5.915 1.248 1.00 14.14 O ATOM 481 CB ASP A 116 11.960 7.628 -1.439 1.00 14.52 C ATOM 482 CG ASP A 116 13.162 8.553 -1.434 1.00 32.45 C ATOM 483 OD1 ASP A 116 14.156 8.228 -0.751 1.00 44.12 O ATOM 484 OD2 ASP A 116 13.109 9.599 -2.112 1.00 75.41 O ATOM 0 H ASP A 116 10.855 5.633 -2.376 1.00 73.21 H new ATOM 0 HA ASP A 116 13.345 5.998 -1.248 1.00 30.21 H new ATOM 0 HB2 ASP A 116 11.540 7.589 -2.444 1.00 14.52 H new ATOM 0 HB3 ASP A 116 11.188 8.037 -0.787 1.00 14.52 H new ATOM 489 N THR A 117 10.935 6.224 1.017 1.00 53.23 N ATOM 490 CA THR A 117 10.663 6.142 2.446 1.00 51.15 C ATOM 491 C THR A 117 9.434 5.283 2.723 1.00 24.14 C ATOM 492 O THR A 117 8.860 5.338 3.811 1.00 42.51 O ATOM 493 CB THR A 117 10.447 7.540 3.058 1.00 60.13 C ATOM 494 OG1 THR A 117 9.680 8.353 2.163 1.00 65.11 O ATOM 495 CG2 THR A 117 11.779 8.213 3.350 1.00 3.50 C ATOM 0 H THR A 117 10.109 6.379 0.439 1.00 53.23 H new ATOM 0 HA THR A 117 11.536 5.682 2.908 1.00 51.15 H new ATOM 0 HB THR A 117 9.904 7.423 3.996 1.00 60.13 H new ATOM 0 HG1 THR A 117 9.546 9.239 2.560 1.00 65.11 H new ATOM 0 HG21 THR A 117 11.602 9.198 3.781 1.00 3.50 H new ATOM 0 HG22 THR A 117 12.347 7.605 4.054 1.00 3.50 H new ATOM 0 HG23 THR A 117 12.344 8.319 2.424 1.00 3.50 H new ATOM 503 N MET A 118 9.038 4.489 1.734 1.00 33.24 N ATOM 504 CA MET A 118 7.877 3.617 1.875 1.00 41.55 C ATOM 505 C MET A 118 6.626 4.424 2.206 1.00 11.21 C ATOM 506 O MET A 118 5.714 3.929 2.867 1.00 2.43 O ATOM 507 CB MET A 118 8.127 2.572 2.963 1.00 33.32 C ATOM 508 CG MET A 118 9.391 1.757 2.745 1.00 70.40 C ATOM 509 SD MET A 118 9.525 0.363 3.882 1.00 53.30 S ATOM 510 CE MET A 118 8.368 -0.788 3.144 1.00 30.12 C ATOM 0 H MET A 118 9.503 4.431 0.828 1.00 33.24 H new ATOM 0 HA MET A 118 7.718 3.110 0.923 1.00 41.55 H new ATOM 0 HB2 MET A 118 8.190 3.073 3.929 1.00 33.32 H new ATOM 0 HB3 MET A 118 7.273 1.897 3.010 1.00 33.32 H new ATOM 0 HG2 MET A 118 9.408 1.387 1.720 1.00 70.40 H new ATOM 0 HG3 MET A 118 10.260 2.403 2.865 1.00 70.40 H new ATOM 0 HE1 MET A 118 7.674 -1.144 3.905 1.00 30.12 H new ATOM 0 HE2 MET A 118 7.812 -0.287 2.352 1.00 30.12 H new ATOM 0 HE3 MET A 118 8.913 -1.634 2.725 1.00 30.12 H new ATOM 520 N ASP A 119 6.591 5.669 1.742 1.00 61.22 N ATOM 521 CA ASP A 119 5.451 6.545 1.988 1.00 25.53 C ATOM 522 C ASP A 119 4.296 6.212 1.049 1.00 64.21 C ATOM 523 O ASP A 119 4.509 5.819 -0.099 1.00 2.14 O ATOM 524 CB ASP A 119 5.859 8.009 1.815 1.00 22.33 C ATOM 525 CG ASP A 119 5.279 8.902 2.894 1.00 32.20 C ATOM 526 OD1 ASP A 119 4.042 8.901 3.064 1.00 74.12 O ATOM 527 OD2 ASP A 119 6.062 9.602 3.569 1.00 21.32 O ATOM 0 H ASP A 119 7.339 6.094 1.194 1.00 61.22 H new ATOM 0 HA ASP A 119 5.118 6.387 3.014 1.00 25.53 H new ATOM 0 HB2 ASP A 119 6.946 8.085 1.830 1.00 22.33 H new ATOM 0 HB3 ASP A 119 5.529 8.362 0.838 1.00 22.33 H new ATOM 532 N VAL A 120 3.073 6.368 1.544 1.00 15.32 N ATOM 533 CA VAL A 120 1.884 6.085 0.749 1.00 43.34 C ATOM 534 C VAL A 120 1.209 7.373 0.291 1.00 32.43 C ATOM 535 O VAL A 120 0.848 8.220 1.108 1.00 12.41 O ATOM 536 CB VAL A 120 0.869 5.238 1.540 1.00 61.15 C ATOM 537 CG1 VAL A 120 -0.400 5.030 0.728 1.00 12.20 C ATOM 538 CG2 VAL A 120 1.483 3.904 1.936 1.00 30.22 C ATOM 0 H VAL A 120 2.879 6.689 2.493 1.00 15.32 H new ATOM 0 HA VAL A 120 2.213 5.522 -0.124 1.00 43.34 H new ATOM 0 HB VAL A 120 0.605 5.775 2.451 1.00 61.15 H new ATOM 0 HG11 VAL A 120 -1.105 4.430 1.303 1.00 12.20 H new ATOM 0 HG12 VAL A 120 -0.848 5.997 0.500 1.00 12.20 H new ATOM 0 HG13 VAL A 120 -0.157 4.514 -0.201 1.00 12.20 H new ATOM 0 HG21 VAL A 120 0.752 3.318 2.494 1.00 30.22 H new ATOM 0 HG22 VAL A 120 1.777 3.358 1.039 1.00 30.22 H new ATOM 0 HG23 VAL A 120 2.360 4.078 2.559 1.00 30.22 H new ATOM 548 N TRP A 121 1.040 7.512 -1.018 1.00 51.34 N ATOM 549 CA TRP A 121 0.406 8.697 -1.585 1.00 3.12 C ATOM 550 C TRP A 121 -1.013 8.387 -2.048 1.00 73.34 C ATOM 551 O TRP A 121 -1.246 7.398 -2.745 1.00 4.20 O ATOM 552 CB TRP A 121 1.233 9.232 -2.756 1.00 12.44 C ATOM 553 CG TRP A 121 1.109 10.715 -2.941 1.00 72.44 C ATOM 554 CD1 TRP A 121 0.397 11.582 -2.163 1.00 33.31 C ATOM 555 CD2 TRP A 121 1.714 11.502 -3.973 1.00 2.33 C ATOM 556 NE1 TRP A 121 0.522 12.861 -2.648 1.00 61.12 N ATOM 557 CE2 TRP A 121 1.326 12.839 -3.758 1.00 43.20 C ATOM 558 CE3 TRP A 121 2.547 11.208 -5.056 1.00 51.43 C ATOM 559 CZ2 TRP A 121 1.742 13.877 -4.587 1.00 62.14 C ATOM 560 CZ3 TRP A 121 2.959 12.240 -5.878 1.00 41.31 C ATOM 561 CH2 TRP A 121 2.557 13.561 -5.640 1.00 21.14 C ATOM 0 H TRP A 121 1.333 6.819 -1.707 1.00 51.34 H new ATOM 0 HA TRP A 121 0.355 9.459 -0.807 1.00 3.12 H new ATOM 0 HB2 TRP A 121 2.281 8.979 -2.597 1.00 12.44 H new ATOM 0 HB3 TRP A 121 0.920 8.731 -3.672 1.00 12.44 H new ATOM 0 HD1 TRP A 121 -0.180 11.303 -1.294 1.00 33.31 H new ATOM 0 HE1 TRP A 121 0.087 13.692 -2.247 1.00 61.12 H new ATOM 0 HE3 TRP A 121 2.863 10.193 -5.247 1.00 51.43 H new ATOM 0 HZ2 TRP A 121 1.433 14.896 -4.406 1.00 62.14 H new ATOM 0 HZ3 TRP A 121 3.602 12.024 -6.718 1.00 41.31 H new ATOM 0 HH2 TRP A 121 2.897 14.345 -6.300 1.00 21.14 H new ATOM 572 N CYS A 122 -1.957 9.236 -1.658 1.00 75.21 N ATOM 573 CA CYS A 122 -3.354 9.051 -2.034 1.00 74.35 C ATOM 574 C CYS A 122 -3.924 10.324 -2.652 1.00 70.33 C ATOM 575 O CYS A 122 -4.237 11.282 -1.948 1.00 25.40 O ATOM 576 CB CYS A 122 -4.183 8.648 -0.813 1.00 61.24 C ATOM 577 SG CYS A 122 -4.440 6.865 -0.652 1.00 22.31 S ATOM 0 H CYS A 122 -1.781 10.059 -1.082 1.00 75.21 H new ATOM 0 HA CYS A 122 -3.402 8.255 -2.777 1.00 74.35 H new ATOM 0 HB2 CYS A 122 -3.689 9.016 0.086 1.00 61.24 H new ATOM 0 HB3 CYS A 122 -5.154 9.141 -0.867 1.00 61.24 H new ATOM 0 HG CYS A 122 -5.149 6.623 0.410 1.00 22.31 H new ATOM 583 N ASN A 123 -4.054 10.326 -3.975 1.00 32.20 N ATOM 584 CA ASN A 123 -4.584 11.482 -4.689 1.00 61.33 C ATOM 585 C ASN A 123 -3.949 12.772 -4.182 1.00 51.33 C ATOM 586 O ASN A 123 -4.601 13.580 -3.522 1.00 44.03 O ATOM 587 CB ASN A 123 -6.104 11.552 -4.532 1.00 71.34 C ATOM 588 CG ASN A 123 -6.835 10.822 -5.644 1.00 12.55 C ATOM 589 OD1 ASN A 123 -6.365 10.770 -6.779 1.00 54.53 O ATOM 590 ND2 ASN A 123 -7.991 10.257 -5.318 1.00 52.05 N ATOM 0 H ASN A 123 -3.800 9.540 -4.574 1.00 32.20 H new ATOM 0 HA ASN A 123 -4.340 11.369 -5.745 1.00 61.33 H new ATOM 0 HB2 ASN A 123 -6.387 11.122 -3.571 1.00 71.34 H new ATOM 0 HB3 ASN A 123 -6.417 12.596 -4.519 1.00 71.34 H new ATOM 0 HD21 ASN A 123 -8.529 9.753 -6.023 1.00 52.05 H new ATOM 0 HD22 ASN A 123 -8.341 10.327 -4.363 1.00 52.05 H new ATOM 597 N GLY A 124 -2.670 12.960 -4.496 1.00 70.22 N ATOM 598 CA GLY A 124 -1.968 14.155 -4.065 1.00 60.32 C ATOM 599 C GLY A 124 -2.169 14.444 -2.591 1.00 40.01 C ATOM 600 O GLY A 124 -2.334 15.598 -2.197 1.00 21.44 O ATOM 0 H GLY A 124 -2.108 12.306 -5.041 1.00 70.22 H new ATOM 0 HA2 GLY A 124 -0.903 14.040 -4.268 1.00 60.32 H new ATOM 0 HA3 GLY A 124 -2.314 15.007 -4.650 1.00 60.32 H new ATOM 604 N GLN A 125 -2.155 13.394 -1.776 1.00 0.24 N ATOM 605 CA GLN A 125 -2.339 13.543 -0.337 1.00 13.42 C ATOM 606 C GLN A 125 -1.478 12.544 0.428 1.00 41.10 C ATOM 607 O GLN A 125 -1.765 11.347 0.448 1.00 53.01 O ATOM 608 CB GLN A 125 -3.812 13.353 0.033 1.00 71.24 C ATOM 609 CG GLN A 125 -4.365 14.458 0.917 1.00 61.21 C ATOM 610 CD GLN A 125 -5.553 15.165 0.295 1.00 63.01 C ATOM 611 OE1 GLN A 125 -5.465 16.333 -0.084 1.00 54.24 O ATOM 612 NE2 GLN A 125 -6.672 14.459 0.185 1.00 62.11 N ATOM 0 H GLN A 125 -2.018 12.432 -2.087 1.00 0.24 H new ATOM 0 HA GLN A 125 -2.029 14.550 -0.059 1.00 13.42 H new ATOM 0 HB2 GLN A 125 -4.404 13.300 -0.881 1.00 71.24 H new ATOM 0 HB3 GLN A 125 -3.929 12.397 0.544 1.00 71.24 H new ATOM 0 HG2 GLN A 125 -4.661 14.036 1.877 1.00 61.21 H new ATOM 0 HG3 GLN A 125 -3.578 15.185 1.117 1.00 61.21 H new ATOM 0 HE21 GLN A 125 -6.700 13.493 0.513 1.00 62.11 H new ATOM 0 HE22 GLN A 125 -7.504 14.882 -0.227 1.00 62.11 H new ATOM 621 N LYS A 126 -0.420 13.043 1.058 1.00 14.42 N ATOM 622 CA LYS A 126 0.484 12.196 1.826 1.00 60.42 C ATOM 623 C LYS A 126 -0.284 11.368 2.852 1.00 15.32 C ATOM 624 O LYS A 126 -1.351 11.773 3.314 1.00 22.43 O ATOM 625 CB LYS A 126 1.540 13.050 2.532 1.00 61.31 C ATOM 626 CG LYS A 126 2.905 13.000 1.868 1.00 1.42 C ATOM 627 CD LYS A 126 3.708 14.259 2.150 1.00 62.34 C ATOM 628 CE LYS A 126 5.062 14.223 1.459 1.00 62.14 C ATOM 629 NZ LYS A 126 5.278 15.419 0.598 1.00 62.23 N ATOM 0 H LYS A 126 -0.168 14.031 1.052 1.00 14.42 H new ATOM 0 HA LYS A 126 0.979 11.515 1.133 1.00 60.42 H new ATOM 0 HB2 LYS A 126 1.198 14.084 2.563 1.00 61.31 H new ATOM 0 HB3 LYS A 126 1.635 12.715 3.565 1.00 61.31 H new ATOM 0 HG2 LYS A 126 3.454 12.129 2.227 1.00 1.42 H new ATOM 0 HG3 LYS A 126 2.783 12.878 0.792 1.00 1.42 H new ATOM 0 HD2 LYS A 126 3.149 15.132 1.812 1.00 62.34 H new ATOM 0 HD3 LYS A 126 3.850 14.368 3.225 1.00 62.34 H new ATOM 0 HE2 LYS A 126 5.851 14.168 2.209 1.00 62.14 H new ATOM 0 HE3 LYS A 126 5.136 13.321 0.852 1.00 62.14 H new ATOM 0 HZ1 LYS A 126 6.212 15.356 0.145 1.00 62.23 H new ATOM 0 HZ2 LYS A 126 4.540 15.458 -0.134 1.00 62.23 H new ATOM 0 HZ3 LYS A 126 5.233 16.279 1.181 1.00 62.23 H new ATOM 643 N MET A 127 0.264 10.211 3.203 1.00 63.43 N ATOM 644 CA MET A 127 -0.370 9.329 4.176 1.00 21.41 C ATOM 645 C MET A 127 0.578 9.025 5.333 1.00 55.42 C ATOM 646 O MET A 127 1.781 9.264 5.240 1.00 71.55 O ATOM 647 CB MET A 127 -0.808 8.026 3.506 1.00 73.11 C ATOM 648 CG MET A 127 -1.768 8.232 2.345 1.00 13.44 C ATOM 649 SD MET A 127 -3.497 8.157 2.853 1.00 14.21 S ATOM 650 CE MET A 127 -3.602 6.472 3.448 1.00 31.52 C ATOM 0 H MET A 127 1.146 9.861 2.829 1.00 63.43 H new ATOM 0 HA MET A 127 -1.248 9.839 4.572 1.00 21.41 H new ATOM 0 HB2 MET A 127 0.075 7.497 3.147 1.00 73.11 H new ATOM 0 HB3 MET A 127 -1.283 7.386 4.250 1.00 73.11 H new ATOM 0 HG2 MET A 127 -1.571 9.199 1.882 1.00 13.44 H new ATOM 0 HG3 MET A 127 -1.583 7.472 1.586 1.00 13.44 H new ATOM 0 HE1 MET A 127 -4.281 5.903 2.812 1.00 31.52 H new ATOM 0 HE2 MET A 127 -2.613 6.015 3.423 1.00 31.52 H new ATOM 0 HE3 MET A 127 -3.977 6.470 4.472 1.00 31.52 H new ATOM 660 N GLU A 128 0.025 8.499 6.421 1.00 24.52 N ATOM 661 CA GLU A 128 0.822 8.164 7.596 1.00 62.13 C ATOM 662 C GLU A 128 0.743 6.671 7.901 1.00 34.34 C ATOM 663 O GLU A 128 -0.299 6.166 8.321 1.00 74.23 O ATOM 664 CB GLU A 128 0.349 8.970 8.807 1.00 32.21 C ATOM 665 CG GLU A 128 1.141 10.246 9.038 1.00 71.24 C ATOM 666 CD GLU A 128 0.846 10.881 10.383 1.00 23.40 C ATOM 667 OE1 GLU A 128 1.096 10.225 11.416 1.00 70.11 O ATOM 668 OE2 GLU A 128 0.367 12.033 10.402 1.00 34.33 O ATOM 0 H GLU A 128 -0.970 8.296 6.514 1.00 24.52 H new ATOM 0 HA GLU A 128 1.860 8.418 7.383 1.00 62.13 H new ATOM 0 HB2 GLU A 128 -0.703 9.224 8.675 1.00 32.21 H new ATOM 0 HB3 GLU A 128 0.416 8.345 9.697 1.00 32.21 H new ATOM 0 HG2 GLU A 128 2.206 10.025 8.971 1.00 71.24 H new ATOM 0 HG3 GLU A 128 0.913 10.959 8.246 1.00 71.24 H new ATOM 675 N THR A 129 1.850 5.969 7.686 1.00 44.13 N ATOM 676 CA THR A 129 1.906 4.534 7.936 1.00 61.33 C ATOM 677 C THR A 129 2.476 4.238 9.319 1.00 73.33 C ATOM 678 O THR A 129 2.916 5.143 10.026 1.00 2.40 O ATOM 679 CB THR A 129 2.760 3.812 6.876 1.00 3.35 C ATOM 680 OG1 THR A 129 4.149 4.084 7.099 1.00 63.32 O ATOM 681 CG2 THR A 129 2.371 4.254 5.474 1.00 71.14 C ATOM 0 H THR A 129 2.721 6.371 7.339 1.00 44.13 H new ATOM 0 HA THR A 129 0.882 4.164 7.881 1.00 61.33 H new ATOM 0 HB THR A 129 2.580 2.741 6.965 1.00 3.35 H new ATOM 0 HG1 THR A 129 4.653 3.905 6.278 1.00 63.32 H new ATOM 0 HG21 THR A 129 2.988 3.731 4.743 1.00 71.14 H new ATOM 0 HG22 THR A 129 1.321 4.020 5.297 1.00 71.14 H new ATOM 0 HG23 THR A 129 2.525 5.329 5.375 1.00 71.14 H new ATOM 689 N ALA A 130 2.464 2.965 9.698 1.00 72.22 N ATOM 690 CA ALA A 130 2.981 2.549 10.996 1.00 13.22 C ATOM 691 C ALA A 130 2.969 1.030 11.131 1.00 22.13 C ATOM 692 O ALA A 130 2.743 0.313 10.158 1.00 61.40 O ATOM 693 CB ALA A 130 2.172 3.188 12.116 1.00 62.23 C ATOM 0 H ALA A 130 2.102 2.203 9.125 1.00 72.22 H new ATOM 0 HA ALA A 130 4.015 2.885 11.072 1.00 13.22 H new ATOM 0 HB1 ALA A 130 2.569 2.869 13.080 1.00 62.23 H new ATOM 0 HB2 ALA A 130 2.237 4.273 12.038 1.00 62.23 H new ATOM 0 HB3 ALA A 130 1.130 2.880 12.033 1.00 62.23 H new ATOM 699 N GLY A 131 3.215 0.547 12.345 1.00 23.25 N ATOM 700 CA GLY A 131 3.229 -0.884 12.585 1.00 14.22 C ATOM 701 C GLY A 131 4.577 -1.378 13.072 1.00 63.13 C ATOM 702 O GLY A 131 4.993 -1.067 14.187 1.00 1.21 O ATOM 0 H GLY A 131 3.405 1.121 13.166 1.00 23.25 H new ATOM 0 HA2 GLY A 131 2.466 -1.133 13.323 1.00 14.22 H new ATOM 0 HA3 GLY A 131 2.965 -1.406 11.665 1.00 14.22 H new ATOM 706 N GLU A 132 5.260 -2.151 12.233 1.00 71.11 N ATOM 707 CA GLU A 132 6.568 -2.691 12.585 1.00 4.45 C ATOM 708 C GLU A 132 7.157 -3.491 11.427 1.00 12.35 C ATOM 709 O GLU A 132 6.508 -3.684 10.399 1.00 64.15 O ATOM 710 CB GLU A 132 6.461 -3.575 13.829 1.00 13.43 C ATOM 711 CG GLU A 132 7.365 -3.135 14.969 1.00 62.12 C ATOM 712 CD GLU A 132 7.030 -3.822 16.278 1.00 31.40 C ATOM 713 OE1 GLU A 132 7.167 -5.062 16.349 1.00 75.13 O ATOM 714 OE2 GLU A 132 6.631 -3.122 17.232 1.00 71.04 O ATOM 0 H GLU A 132 4.929 -2.417 11.305 1.00 71.11 H new ATOM 0 HA GLU A 132 7.232 -1.854 12.799 1.00 4.45 H new ATOM 0 HB2 GLU A 132 5.428 -3.576 14.176 1.00 13.43 H new ATOM 0 HB3 GLU A 132 6.707 -4.601 13.557 1.00 13.43 H new ATOM 0 HG2 GLU A 132 8.402 -3.346 14.707 1.00 62.12 H new ATOM 0 HG3 GLU A 132 7.282 -2.056 15.098 1.00 62.12 H new ATOM 781 N GLY A 137 10.251 -8.137 5.313 1.00 61.12 N ATOM 782 CA GLY A 137 9.179 -7.257 4.884 1.00 33.32 C ATOM 783 C GLY A 137 8.693 -6.351 5.997 1.00 22.03 C ATOM 784 O GLY A 137 9.054 -6.534 7.160 1.00 72.01 O ATOM 0 HA2 GLY A 137 9.525 -6.648 4.049 1.00 33.32 H new ATOM 0 HA3 GLY A 137 8.346 -7.856 4.517 1.00 33.32 H new ATOM 788 N THR A 138 7.873 -5.366 5.641 1.00 31.30 N ATOM 789 CA THR A 138 7.339 -4.425 6.618 1.00 24.42 C ATOM 790 C THR A 138 5.846 -4.203 6.408 1.00 72.33 C ATOM 791 O THR A 138 5.400 -3.943 5.291 1.00 2.45 O ATOM 792 CB THR A 138 8.065 -3.069 6.545 1.00 51.12 C ATOM 793 OG1 THR A 138 9.176 -3.155 5.647 1.00 3.51 O ATOM 794 CG2 THR A 138 8.550 -2.641 7.921 1.00 2.02 C ATOM 0 H THR A 138 7.565 -5.200 4.683 1.00 31.30 H new ATOM 0 HA THR A 138 7.502 -4.863 7.603 1.00 24.42 H new ATOM 0 HB THR A 138 7.360 -2.324 6.178 1.00 51.12 H new ATOM 0 HG1 THR A 138 9.631 -2.288 5.605 1.00 3.51 H new ATOM 0 HG21 THR A 138 9.060 -1.681 7.845 1.00 2.02 H new ATOM 0 HG22 THR A 138 7.698 -2.547 8.594 1.00 2.02 H new ATOM 0 HG23 THR A 138 9.241 -3.388 8.312 1.00 2.02 H new ATOM 802 N GLU A 139 5.079 -4.307 7.488 1.00 10.35 N ATOM 803 CA GLU A 139 3.635 -4.115 7.421 1.00 75.30 C ATOM 804 C GLU A 139 3.272 -2.643 7.587 1.00 4.33 C ATOM 805 O GLU A 139 3.172 -2.138 8.707 1.00 70.32 O ATOM 806 CB GLU A 139 2.937 -4.949 8.497 1.00 24.40 C ATOM 807 CG GLU A 139 3.490 -6.358 8.631 1.00 64.23 C ATOM 808 CD GLU A 139 2.810 -7.151 9.730 1.00 52.05 C ATOM 809 OE1 GLU A 139 2.873 -6.717 10.899 1.00 70.43 O ATOM 810 OE2 GLU A 139 2.214 -8.204 9.420 1.00 2.24 O ATOM 0 H GLU A 139 5.433 -4.523 8.420 1.00 10.35 H new ATOM 0 HA GLU A 139 3.296 -4.445 6.439 1.00 75.30 H new ATOM 0 HB2 GLU A 139 3.029 -4.439 9.456 1.00 24.40 H new ATOM 0 HB3 GLU A 139 1.873 -5.006 8.267 1.00 24.40 H new ATOM 0 HG2 GLU A 139 3.371 -6.882 7.683 1.00 64.23 H new ATOM 0 HG3 GLU A 139 4.560 -6.306 8.834 1.00 64.23 H new ATOM 817 N THR A 140 3.076 -1.957 6.466 1.00 64.22 N ATOM 818 CA THR A 140 2.726 -0.542 6.486 1.00 22.03 C ATOM 819 C THR A 140 1.242 -0.347 6.774 1.00 51.35 C ATOM 820 O THR A 140 0.392 -0.660 5.940 1.00 62.21 O ATOM 821 CB THR A 140 3.074 0.142 5.150 1.00 74.21 C ATOM 822 OG1 THR A 140 3.620 -0.817 4.237 1.00 54.31 O ATOM 823 CG2 THR A 140 4.070 1.272 5.363 1.00 71.33 C ATOM 0 H THR A 140 3.154 -2.359 5.532 1.00 64.22 H new ATOM 0 HA THR A 140 3.311 -0.083 7.283 1.00 22.03 H new ATOM 0 HB THR A 140 2.159 0.561 4.732 1.00 74.21 H new ATOM 0 HG1 THR A 140 2.921 -1.450 3.970 1.00 54.31 H new ATOM 0 HG21 THR A 140 4.300 1.739 4.406 1.00 71.33 H new ATOM 0 HG22 THR A 140 3.640 2.014 6.035 1.00 71.33 H new ATOM 0 HG23 THR A 140 4.985 0.873 5.801 1.00 71.33 H new ATOM 831 N HIS A 141 0.937 0.174 7.958 1.00 74.11 N ATOM 832 CA HIS A 141 -0.447 0.413 8.354 1.00 63.41 C ATOM 833 C HIS A 141 -0.759 1.906 8.364 1.00 62.20 C ATOM 834 O HIS A 141 -0.240 2.654 9.192 1.00 23.44 O ATOM 835 CB HIS A 141 -0.713 -0.185 9.736 1.00 2.31 C ATOM 836 CG HIS A 141 -0.499 -1.666 9.800 1.00 40.12 C ATOM 837 ND1 HIS A 141 -1.495 -2.582 9.533 1.00 24.24 N ATOM 838 CD2 HIS A 141 0.605 -2.389 10.099 1.00 11.11 C ATOM 839 CE1 HIS A 141 -1.012 -3.805 9.669 1.00 53.04 C ATOM 840 NE2 HIS A 141 0.260 -3.716 10.011 1.00 11.32 N ATOM 0 H HIS A 141 1.628 0.439 8.660 1.00 74.11 H new ATOM 0 HA HIS A 141 -1.097 -0.071 7.625 1.00 63.41 H new ATOM 0 HB2 HIS A 141 -0.062 0.299 10.464 1.00 2.31 H new ATOM 0 HB3 HIS A 141 -1.739 0.038 10.028 1.00 2.31 H new ATOM 0 HD2 HIS A 141 1.577 -1.996 10.359 1.00 11.11 H new ATOM 0 HE1 HIS A 141 -1.564 -4.722 9.525 1.00 53.04 H new ATOM 0 HE2 HIS A 141 0.885 -4.504 10.182 1.00 11.32 H new ATOM 848 N PHE A 142 -1.610 2.333 7.437 1.00 31.21 N ATOM 849 CA PHE A 142 -1.990 3.738 7.338 1.00 70.13 C ATOM 850 C PHE A 142 -3.507 3.895 7.385 1.00 40.43 C ATOM 851 O PHE A 142 -4.238 3.170 6.709 1.00 0.42 O ATOM 852 CB PHE A 142 -1.442 4.346 6.045 1.00 54.25 C ATOM 853 CG PHE A 142 -1.655 3.478 4.838 1.00 44.32 C ATOM 854 CD1 PHE A 142 -2.871 3.478 4.173 1.00 44.43 C ATOM 855 CD2 PHE A 142 -0.639 2.661 4.367 1.00 2.24 C ATOM 856 CE1 PHE A 142 -3.069 2.682 3.061 1.00 73.41 C ATOM 857 CE2 PHE A 142 -0.831 1.863 3.257 1.00 54.23 C ATOM 858 CZ PHE A 142 -2.048 1.872 2.603 1.00 34.20 C ATOM 0 H PHE A 142 -2.049 1.727 6.744 1.00 31.21 H new ATOM 0 HA PHE A 142 -1.561 4.266 8.190 1.00 70.13 H new ATOM 0 HB2 PHE A 142 -1.918 5.312 5.877 1.00 54.25 H new ATOM 0 HB3 PHE A 142 -0.375 4.533 6.164 1.00 54.25 H new ATOM 0 HD1 PHE A 142 -3.673 4.108 4.528 1.00 44.43 H new ATOM 0 HD2 PHE A 142 0.314 2.649 4.875 1.00 2.24 H new ATOM 0 HE1 PHE A 142 -4.021 2.693 2.551 1.00 73.41 H new ATOM 0 HE2 PHE A 142 -0.030 1.232 2.900 1.00 54.23 H new ATOM 0 HZ PHE A 142 -2.201 1.247 1.736 1.00 34.20 H new ATOM 868 N SER A 143 -3.973 4.846 8.187 1.00 30.24 N ATOM 869 CA SER A 143 -5.402 5.097 8.327 1.00 71.11 C ATOM 870 C SER A 143 -5.932 5.900 7.143 1.00 4.41 C ATOM 871 O SER A 143 -5.281 6.832 6.670 1.00 55.21 O ATOM 872 CB SER A 143 -5.686 5.843 9.632 1.00 3.11 C ATOM 873 OG SER A 143 -5.258 7.191 9.551 1.00 3.33 O ATOM 0 H SER A 143 -3.381 5.456 8.750 1.00 30.24 H new ATOM 0 HA SER A 143 -5.913 4.135 8.349 1.00 71.11 H new ATOM 0 HB2 SER A 143 -6.754 5.809 9.849 1.00 3.11 H new ATOM 0 HB3 SER A 143 -5.177 5.345 10.457 1.00 3.11 H new ATOM 0 HG SER A 143 -5.452 7.647 10.396 1.00 3.33 H new ATOM 879 N VAL A 144 -7.117 5.531 6.668 1.00 54.13 N ATOM 880 CA VAL A 144 -7.735 6.217 5.540 1.00 15.33 C ATOM 881 C VAL A 144 -9.184 6.583 5.846 1.00 62.32 C ATOM 882 O VAL A 144 -10.084 5.754 5.720 1.00 72.03 O ATOM 883 CB VAL A 144 -7.695 5.352 4.266 1.00 65.13 C ATOM 884 CG1 VAL A 144 -8.157 6.155 3.059 1.00 2.45 C ATOM 885 CG2 VAL A 144 -6.295 4.799 4.044 1.00 62.25 C ATOM 0 H VAL A 144 -7.668 4.761 7.047 1.00 54.13 H new ATOM 0 HA VAL A 144 -7.160 7.128 5.371 1.00 15.33 H new ATOM 0 HB VAL A 144 -8.378 4.512 4.396 1.00 65.13 H new ATOM 0 HG11 VAL A 144 -8.122 5.527 2.169 1.00 2.45 H new ATOM 0 HG12 VAL A 144 -9.179 6.499 3.220 1.00 2.45 H new ATOM 0 HG13 VAL A 144 -7.502 7.015 2.922 1.00 2.45 H new ATOM 0 HG21 VAL A 144 -6.283 4.190 3.140 1.00 62.25 H new ATOM 0 HG22 VAL A 144 -5.591 5.624 3.935 1.00 62.25 H new ATOM 0 HG23 VAL A 144 -6.006 4.186 4.898 1.00 62.25 H new ATOM 895 N GLY A 145 -9.400 7.831 6.249 1.00 54.14 N ATOM 896 CA GLY A 145 -10.742 8.285 6.566 1.00 51.22 C ATOM 897 C GLY A 145 -11.448 7.369 7.546 1.00 1.51 C ATOM 898 O GLY A 145 -10.943 7.110 8.637 1.00 51.13 O ATOM 0 H GLY A 145 -8.671 8.535 6.362 1.00 54.14 H new ATOM 0 HA2 GLY A 145 -10.693 9.290 6.984 1.00 51.22 H new ATOM 0 HA3 GLY A 145 -11.327 8.350 5.648 1.00 51.22 H new ATOM 902 N ASN A 146 -12.620 6.879 7.155 1.00 2.34 N ATOM 903 CA ASN A 146 -13.398 5.988 8.009 1.00 23.12 C ATOM 904 C ASN A 146 -13.133 4.528 7.655 1.00 71.23 C ATOM 905 O ASN A 146 -13.972 3.658 7.895 1.00 0.12 O ATOM 906 CB ASN A 146 -14.891 6.295 7.875 1.00 53.21 C ATOM 907 CG ASN A 146 -15.246 7.676 8.392 1.00 71.32 C ATOM 908 OD1 ASN A 146 -15.809 8.496 7.667 1.00 62.25 O ATOM 909 ND2 ASN A 146 -14.918 7.939 9.652 1.00 71.34 N ATOM 0 H ASN A 146 -13.052 7.083 6.254 1.00 2.34 H new ATOM 0 HA ASN A 146 -13.091 6.154 9.042 1.00 23.12 H new ATOM 0 HB2 ASN A 146 -15.183 6.216 6.828 1.00 53.21 H new ATOM 0 HB3 ASN A 146 -15.464 5.547 8.423 1.00 53.21 H new ATOM 0 HD21 ASN A 146 -15.132 8.851 10.055 1.00 71.34 H new ATOM 0 HD22 ASN A 146 -14.452 7.229 10.217 1.00 71.34 H new ATOM 916 N HIS A 147 -11.962 4.266 7.083 1.00 13.25 N ATOM 917 CA HIS A 147 -11.587 2.911 6.697 1.00 22.00 C ATOM 918 C HIS A 147 -10.296 2.486 7.392 1.00 11.22 C ATOM 919 O HIS A 147 -9.814 3.168 8.297 1.00 73.23 O ATOM 920 CB HIS A 147 -11.416 2.819 5.180 1.00 62.23 C ATOM 921 CG HIS A 147 -12.604 3.313 4.413 1.00 41.02 C ATOM 922 ND1 HIS A 147 -13.896 2.922 4.693 1.00 11.22 N ATOM 923 CD2 HIS A 147 -12.689 4.173 3.371 1.00 74.52 C ATOM 924 CE1 HIS A 147 -14.725 3.520 3.855 1.00 34.32 C ATOM 925 NE2 HIS A 147 -14.017 4.284 3.043 1.00 34.43 N ATOM 0 H HIS A 147 -11.257 4.974 6.877 1.00 13.25 H new ATOM 0 HA HIS A 147 -12.386 2.237 7.007 1.00 22.00 H new ATOM 0 HB2 HIS A 147 -10.539 3.395 4.886 1.00 62.23 H new ATOM 0 HB3 HIS A 147 -11.223 1.782 4.906 1.00 62.23 H new ATOM 0 HD2 HIS A 147 -11.865 4.678 2.888 1.00 74.52 H new ATOM 0 HE1 HIS A 147 -15.799 3.404 3.837 1.00 34.32 H new ATOM 0 HE2 HIS A 147 -14.396 4.863 2.293 1.00 34.43 H new ATOM 933 N ASP A 148 -9.744 1.355 6.965 1.00 13.41 N ATOM 934 CA ASP A 148 -8.510 0.840 7.546 1.00 52.33 C ATOM 935 C ASP A 148 -7.711 0.053 6.513 1.00 63.41 C ATOM 936 O ASP A 148 -7.769 -1.177 6.474 1.00 71.30 O ATOM 937 CB ASP A 148 -8.821 -0.047 8.752 1.00 12.22 C ATOM 938 CG ASP A 148 -9.689 0.655 9.778 1.00 33.12 C ATOM 939 OD1 ASP A 148 -10.918 0.728 9.566 1.00 51.20 O ATOM 940 OD2 ASP A 148 -9.141 1.131 10.794 1.00 62.33 O ATOM 0 H ASP A 148 -10.132 0.778 6.219 1.00 13.41 H new ATOM 0 HA ASP A 148 -7.910 1.689 7.874 1.00 52.33 H new ATOM 0 HB2 ASP A 148 -9.324 -0.953 8.413 1.00 12.22 H new ATOM 0 HB3 ASP A 148 -7.888 -0.358 9.221 1.00 12.22 H new ATOM 945 N CYS A 149 -6.967 0.768 5.677 1.00 43.42 N ATOM 946 CA CYS A 149 -6.157 0.136 4.641 1.00 25.04 C ATOM 947 C CYS A 149 -4.716 -0.039 5.110 1.00 60.21 C ATOM 948 O CYS A 149 -4.302 0.546 6.110 1.00 31.05 O ATOM 949 CB CYS A 149 -6.191 0.968 3.359 1.00 11.02 C ATOM 950 SG CYS A 149 -7.837 1.567 2.912 1.00 1.32 S ATOM 0 H CYS A 149 -6.908 1.786 5.696 1.00 43.42 H new ATOM 0 HA CYS A 149 -6.576 -0.849 4.437 1.00 25.04 H new ATOM 0 HB2 CYS A 149 -5.524 1.822 3.475 1.00 11.02 H new ATOM 0 HB3 CYS A 149 -5.799 0.367 2.538 1.00 11.02 H new ATOM 0 HG CYS A 149 -7.730 2.696 2.277 1.00 1.32 H new ATOM 956 N TYR A 150 -3.957 -0.851 4.381 1.00 54.31 N ATOM 957 CA TYR A 150 -2.564 -1.106 4.723 1.00 23.33 C ATOM 958 C TYR A 150 -1.840 -1.806 3.577 1.00 22.13 C ATOM 959 O TYR A 150 -2.422 -2.631 2.872 1.00 24.21 O ATOM 960 CB TYR A 150 -2.476 -1.958 5.992 1.00 52.34 C ATOM 961 CG TYR A 150 -2.861 -3.404 5.776 1.00 24.44 C ATOM 962 CD1 TYR A 150 -4.193 -3.778 5.650 1.00 23.32 C ATOM 963 CD2 TYR A 150 -1.893 -4.398 5.700 1.00 5.35 C ATOM 964 CE1 TYR A 150 -4.549 -5.099 5.455 1.00 12.22 C ATOM 965 CE2 TYR A 150 -2.239 -5.720 5.504 1.00 65.12 C ATOM 966 CZ TYR A 150 -3.568 -6.066 5.381 1.00 74.21 C ATOM 967 OH TYR A 150 -3.918 -7.383 5.186 1.00 2.20 O ATOM 0 H TYR A 150 -4.284 -1.343 3.550 1.00 54.31 H new ATOM 0 HA TYR A 150 -2.080 -0.146 4.902 1.00 23.33 H new ATOM 0 HB2 TYR A 150 -1.458 -1.915 6.379 1.00 52.34 H new ATOM 0 HB3 TYR A 150 -3.125 -1.528 6.755 1.00 52.34 H new ATOM 0 HD1 TYR A 150 -4.964 -3.023 5.705 1.00 23.32 H new ATOM 0 HD2 TYR A 150 -0.851 -4.131 5.796 1.00 5.35 H new ATOM 0 HE1 TYR A 150 -5.589 -5.373 5.361 1.00 12.22 H new ATOM 0 HE2 TYR A 150 -1.473 -6.479 5.447 1.00 65.12 H new ATOM 0 HH TYR A 150 -4.876 -7.496 5.360 1.00 2.20 H new ATOM 977 N ILE A 151 -0.567 -1.470 3.397 1.00 32.11 N ATOM 978 CA ILE A 151 0.237 -2.066 2.338 1.00 42.33 C ATOM 979 C ILE A 151 1.119 -3.186 2.881 1.00 72.01 C ATOM 980 O ILE A 151 2.062 -2.939 3.633 1.00 4.12 O ATOM 981 CB ILE A 151 1.128 -1.015 1.648 1.00 64.31 C ATOM 982 CG1 ILE A 151 0.292 -0.146 0.707 1.00 10.31 C ATOM 983 CG2 ILE A 151 2.257 -1.695 0.888 1.00 72.42 C ATOM 984 CD1 ILE A 151 1.055 1.027 0.132 1.00 64.04 C ATOM 0 H ILE A 151 -0.071 -0.788 3.971 1.00 32.11 H new ATOM 0 HA ILE A 151 -0.459 -2.477 1.607 1.00 42.33 H new ATOM 0 HB ILE A 151 1.566 -0.373 2.412 1.00 64.31 H new ATOM 0 HG12 ILE A 151 -0.080 -0.763 -0.111 1.00 10.31 H new ATOM 0 HG13 ILE A 151 -0.579 0.226 1.247 1.00 10.31 H new ATOM 0 HG21 ILE A 151 2.878 -0.940 0.406 1.00 72.42 H new ATOM 0 HG22 ILE A 151 2.865 -2.275 1.582 1.00 72.42 H new ATOM 0 HG23 ILE A 151 1.838 -2.358 0.131 1.00 72.42 H new ATOM 0 HD11 ILE A 151 0.401 1.599 -0.526 1.00 64.04 H new ATOM 0 HD12 ILE A 151 1.404 1.667 0.943 1.00 64.04 H new ATOM 0 HD13 ILE A 151 1.911 0.661 -0.436 1.00 64.04 H new ATOM 996 N LYS A 152 0.807 -4.417 2.493 1.00 60.50 N ATOM 997 CA LYS A 152 1.572 -5.577 2.938 1.00 34.32 C ATOM 998 C LYS A 152 2.848 -5.734 2.116 1.00 33.33 C ATOM 999 O LYS A 152 2.810 -6.199 0.978 1.00 74.14 O ATOM 1000 CB LYS A 152 0.723 -6.846 2.830 1.00 14.52 C ATOM 1001 CG LYS A 152 0.721 -7.686 4.095 1.00 4.05 C ATOM 1002 CD LYS A 152 -0.391 -8.721 4.077 1.00 51.43 C ATOM 1003 CE LYS A 152 -0.091 -9.879 5.015 1.00 52.13 C ATOM 1004 NZ LYS A 152 -0.474 -9.569 6.420 1.00 41.34 N ATOM 0 H LYS A 152 0.029 -4.638 1.871 1.00 60.50 H new ATOM 0 HA LYS A 152 1.849 -5.421 3.981 1.00 34.32 H new ATOM 0 HB2 LYS A 152 -0.302 -6.567 2.587 1.00 14.52 H new ATOM 0 HB3 LYS A 152 1.093 -7.451 2.003 1.00 14.52 H new ATOM 0 HG2 LYS A 152 1.683 -8.187 4.201 1.00 4.05 H new ATOM 0 HG3 LYS A 152 0.601 -7.038 4.963 1.00 4.05 H new ATOM 0 HD2 LYS A 152 -1.331 -8.251 4.367 1.00 51.43 H new ATOM 0 HD3 LYS A 152 -0.522 -9.098 3.063 1.00 51.43 H new ATOM 0 HE2 LYS A 152 -0.628 -10.766 4.680 1.00 52.13 H new ATOM 0 HE3 LYS A 152 0.972 -10.115 4.972 1.00 52.13 H new ATOM 0 HZ1 LYS A 152 -0.253 -10.384 7.028 1.00 41.34 H new ATOM 0 HZ2 LYS A 152 0.057 -8.738 6.749 1.00 41.34 H new ATOM 0 HZ3 LYS A 152 -1.494 -9.369 6.466 1.00 41.34 H new ATOM 1018 N ALA A 153 3.975 -5.346 2.703 1.00 3.30 N ATOM 1019 CA ALA A 153 5.262 -5.448 2.026 1.00 1.33 C ATOM 1020 C ALA A 153 5.979 -6.740 2.403 1.00 44.23 C ATOM 1021 O ALA A 153 5.910 -7.189 3.546 1.00 23.43 O ATOM 1022 CB ALA A 153 6.130 -4.243 2.358 1.00 22.25 C ATOM 0 H ALA A 153 4.023 -4.958 3.645 1.00 3.30 H new ATOM 0 HA ALA A 153 5.080 -5.465 0.951 1.00 1.33 H new ATOM 0 HB1 ALA A 153 7.088 -4.332 1.846 1.00 22.25 H new ATOM 0 HB2 ALA A 153 5.628 -3.332 2.032 1.00 22.25 H new ATOM 0 HB3 ALA A 153 6.297 -4.200 3.434 1.00 22.25 H new ATOM 1028 N VAL A 154 6.669 -7.333 1.433 1.00 15.05 N ATOM 1029 CA VAL A 154 7.399 -8.574 1.663 1.00 2.43 C ATOM 1030 C VAL A 154 8.778 -8.527 1.015 1.00 45.14 C ATOM 1031 O VAL A 154 8.899 -8.359 -0.198 1.00 4.40 O ATOM 1032 CB VAL A 154 6.628 -9.790 1.117 1.00 13.44 C ATOM 1033 CG1 VAL A 154 7.299 -11.085 1.545 1.00 2.24 C ATOM 1034 CG2 VAL A 154 5.179 -9.752 1.580 1.00 44.12 C ATOM 0 H VAL A 154 6.737 -6.974 0.481 1.00 15.05 H new ATOM 0 HA VAL A 154 7.510 -8.680 2.742 1.00 2.43 H new ATOM 0 HB VAL A 154 6.640 -9.747 0.028 1.00 13.44 H new ATOM 0 HG11 VAL A 154 6.739 -11.933 1.149 1.00 2.24 H new ATOM 0 HG12 VAL A 154 8.318 -11.111 1.160 1.00 2.24 H new ATOM 0 HG13 VAL A 154 7.321 -11.141 2.633 1.00 2.24 H new ATOM 0 HG21 VAL A 154 4.648 -10.618 1.185 1.00 44.12 H new ATOM 0 HG22 VAL A 154 5.144 -9.770 2.669 1.00 44.12 H new ATOM 0 HG23 VAL A 154 4.705 -8.840 1.217 1.00 44.12 H new ATOM 1044 N SER A 155 9.816 -8.679 1.832 1.00 13.45 N ATOM 1045 CA SER A 155 11.188 -8.651 1.339 1.00 71.32 C ATOM 1046 C SER A 155 11.659 -10.054 0.968 1.00 42.43 C ATOM 1047 O SER A 155 11.479 -11.003 1.730 1.00 74.04 O ATOM 1048 CB SER A 155 12.119 -8.050 2.393 1.00 11.00 C ATOM 1049 OG SER A 155 12.753 -9.065 3.152 1.00 2.32 O ATOM 0 H SER A 155 9.733 -8.823 2.838 1.00 13.45 H new ATOM 0 HA SER A 155 11.215 -8.028 0.445 1.00 71.32 H new ATOM 0 HB2 SER A 155 12.873 -7.431 1.906 1.00 11.00 H new ATOM 0 HB3 SER A 155 11.550 -7.398 3.056 1.00 11.00 H new ATOM 0 HG SER A 155 13.344 -8.655 3.818 1.00 2.32 H new ATOM 1055 N SER A 156 12.266 -10.175 -0.209 1.00 41.13 N ATOM 1056 CA SER A 156 12.762 -11.461 -0.685 1.00 21.30 C ATOM 1057 C SER A 156 14.247 -11.380 -1.024 1.00 14.13 C ATOM 1058 O SER A 156 14.708 -10.401 -1.609 1.00 4.04 O ATOM 1059 CB SER A 156 11.970 -11.914 -1.914 1.00 31.14 C ATOM 1060 OG SER A 156 12.491 -11.335 -3.098 1.00 24.15 O ATOM 0 H SER A 156 12.426 -9.398 -0.850 1.00 41.13 H new ATOM 0 HA SER A 156 12.629 -12.191 0.113 1.00 21.30 H new ATOM 0 HB2 SER A 156 12.003 -13.001 -1.992 1.00 31.14 H new ATOM 0 HB3 SER A 156 10.923 -11.635 -1.799 1.00 31.14 H new ATOM 0 HG SER A 156 12.450 -10.358 -3.030 1.00 24.15 H new ATOM 1066 N GLY A 157 14.990 -12.417 -0.651 1.00 63.15 N ATOM 1067 CA GLY A 157 16.416 -12.444 -0.924 1.00 33.11 C ATOM 1068 C GLY A 157 17.230 -12.854 0.287 1.00 63.51 C ATOM 1069 O GLY A 157 17.279 -14.032 0.641 1.00 2.25 O ATOM 0 H GLY A 157 14.631 -13.239 -0.165 1.00 63.15 H new ATOM 0 HA2 GLY A 157 16.613 -13.137 -1.742 1.00 33.11 H new ATOM 0 HA3 GLY A 157 16.738 -11.457 -1.257 1.00 33.11 H new ATOM 1073 N LYS A 158 17.872 -11.881 0.924 1.00 43.11 N ATOM 1074 CA LYS A 158 18.689 -12.145 2.103 1.00 53.21 C ATOM 1075 C LYS A 158 18.557 -11.017 3.120 1.00 5.22 C ATOM 1076 O LYS A 158 18.381 -11.262 4.313 1.00 0.42 O ATOM 1077 CB LYS A 158 20.156 -12.318 1.703 1.00 33.12 C ATOM 1078 CG LYS A 158 21.077 -12.605 2.877 1.00 71.25 C ATOM 1079 CD LYS A 158 22.534 -12.386 2.509 1.00 52.41 C ATOM 1080 CE LYS A 158 23.293 -13.701 2.426 1.00 70.00 C ATOM 1081 NZ LYS A 158 24.750 -13.489 2.206 1.00 23.22 N ATOM 0 H LYS A 158 17.842 -10.901 0.643 1.00 43.11 H new ATOM 0 HA LYS A 158 18.333 -13.067 2.563 1.00 53.21 H new ATOM 0 HB2 LYS A 158 20.234 -13.133 0.983 1.00 33.12 H new ATOM 0 HB3 LYS A 158 20.495 -11.413 1.198 1.00 33.12 H new ATOM 0 HG2 LYS A 158 20.812 -11.960 3.715 1.00 71.25 H new ATOM 0 HG3 LYS A 158 20.935 -13.634 3.209 1.00 71.25 H new ATOM 0 HD2 LYS A 158 22.594 -11.869 1.551 1.00 52.41 H new ATOM 0 HD3 LYS A 158 23.004 -11.740 3.250 1.00 52.41 H new ATOM 0 HE2 LYS A 158 23.143 -14.265 3.347 1.00 70.00 H new ATOM 0 HE3 LYS A 158 22.887 -14.304 1.613 1.00 70.00 H new ATOM 0 HZ1 LYS A 158 25.231 -14.410 2.155 1.00 23.22 H new ATOM 0 HZ2 LYS A 158 24.895 -12.973 1.315 1.00 23.22 H new ATOM 0 HZ3 LYS A 158 25.143 -12.936 2.994 1.00 23.22 H new ATOM 1095 N ARG A 159 18.645 -9.780 2.640 1.00 30.41 N ATOM 1096 CA ARG A 159 18.535 -8.614 3.508 1.00 11.31 C ATOM 1097 C ARG A 159 17.666 -7.538 2.865 1.00 0.34 C ATOM 1098 O ARG A 159 16.794 -6.959 3.514 1.00 12.13 O ATOM 1099 CB ARG A 159 19.923 -8.048 3.815 1.00 4.12 C ATOM 1100 CG ARG A 159 19.931 -7.035 4.947 1.00 12.24 C ATOM 1101 CD ARG A 159 20.951 -5.934 4.703 1.00 5.33 C ATOM 1102 NE ARG A 159 20.649 -4.727 5.468 1.00 41.22 N ATOM 1103 CZ ARG A 159 21.489 -3.705 5.589 1.00 15.54 C ATOM 1104 NH1 ARG A 159 22.675 -3.744 5.000 1.00 2.43 N ATOM 1105 NH2 ARG A 159 21.141 -2.640 6.302 1.00 71.51 N ATOM 0 H ARG A 159 18.792 -9.560 1.655 1.00 30.41 H new ATOM 0 HA ARG A 159 18.064 -8.928 4.439 1.00 11.31 H new ATOM 0 HB2 ARG A 159 20.593 -8.869 4.069 1.00 4.12 H new ATOM 0 HB3 ARG A 159 20.322 -7.578 2.916 1.00 4.12 H new ATOM 0 HG2 ARG A 159 18.939 -6.596 5.051 1.00 12.24 H new ATOM 0 HG3 ARG A 159 20.157 -7.540 5.886 1.00 12.24 H new ATOM 0 HD2 ARG A 159 21.944 -6.294 4.972 1.00 5.33 H new ATOM 0 HD3 ARG A 159 20.976 -5.693 3.640 1.00 5.33 H new ATOM 0 HE ARG A 159 19.744 -4.665 5.935 1.00 41.22 H new ATOM 0 HH11 ARG A 159 22.945 -4.560 4.452 1.00 2.43 H new ATOM 0 HH12 ARG A 159 23.318 -2.958 5.095 1.00 2.43 H new ATOM 0 HH21 ARG A 159 20.229 -2.607 6.757 1.00 71.51 H new ATOM 0 HH22 ARG A 159 21.786 -1.855 6.395 1.00 71.51 H new ATOM 1119 N LYS A 160 17.911 -7.272 1.587 1.00 75.23 N ATOM 1120 CA LYS A 160 17.151 -6.266 0.854 1.00 31.53 C ATOM 1121 C LYS A 160 17.418 -6.365 -0.643 1.00 40.23 C ATOM 1122 O LYS A 160 17.819 -5.389 -1.277 1.00 61.05 O ATOM 1123 CB LYS A 160 17.506 -4.865 1.355 1.00 5.34 C ATOM 1124 CG LYS A 160 16.462 -3.815 1.017 1.00 5.32 C ATOM 1125 CD LYS A 160 17.064 -2.420 0.982 1.00 4.35 C ATOM 1126 CE LYS A 160 16.033 -1.376 0.582 1.00 31.24 C ATOM 1127 NZ LYS A 160 16.552 -0.457 -0.467 1.00 55.23 N ATOM 0 H LYS A 160 18.631 -7.740 1.036 1.00 75.23 H new ATOM 0 HA LYS A 160 16.091 -6.450 1.028 1.00 31.53 H new ATOM 0 HB2 LYS A 160 17.639 -4.898 2.436 1.00 5.34 H new ATOM 0 HB3 LYS A 160 18.462 -4.566 0.925 1.00 5.34 H new ATOM 0 HG2 LYS A 160 16.015 -4.044 0.050 1.00 5.32 H new ATOM 0 HG3 LYS A 160 15.660 -3.848 1.754 1.00 5.32 H new ATOM 0 HD2 LYS A 160 17.471 -2.174 1.963 1.00 4.35 H new ATOM 0 HD3 LYS A 160 17.896 -2.399 0.278 1.00 4.35 H new ATOM 0 HE2 LYS A 160 15.135 -1.874 0.216 1.00 31.24 H new ATOM 0 HE3 LYS A 160 15.742 -0.798 1.459 1.00 31.24 H new ATOM 0 HZ1 LYS A 160 15.819 0.239 -0.712 1.00 55.23 H new ATOM 0 HZ2 LYS A 160 17.394 0.038 -0.110 1.00 55.23 H new ATOM 0 HZ3 LYS A 160 16.806 -1.005 -1.314 1.00 55.23 H new ATOM 1141 N GLU A 161 17.193 -7.549 -1.203 1.00 61.55 N ATOM 1142 CA GLU A 161 17.410 -7.775 -2.628 1.00 12.32 C ATOM 1143 C GLU A 161 16.209 -7.302 -3.442 1.00 4.41 C ATOM 1144 O GLU A 161 16.315 -6.371 -4.240 1.00 13.13 O ATOM 1145 CB GLU A 161 17.672 -9.258 -2.899 1.00 2.10 C ATOM 1146 CG GLU A 161 18.894 -9.801 -2.178 1.00 32.20 C ATOM 1147 CD GLU A 161 19.781 -10.636 -3.081 1.00 4.31 C ATOM 1148 OE1 GLU A 161 19.508 -11.845 -3.228 1.00 54.33 O ATOM 1149 OE2 GLU A 161 20.750 -10.079 -3.640 1.00 63.51 O ATOM 0 H GLU A 161 16.861 -8.367 -0.692 1.00 61.55 H new ATOM 0 HA GLU A 161 18.284 -7.199 -2.932 1.00 12.32 H new ATOM 0 HB2 GLU A 161 16.797 -9.834 -2.598 1.00 2.10 H new ATOM 0 HB3 GLU A 161 17.798 -9.406 -3.972 1.00 2.10 H new ATOM 0 HG2 GLU A 161 19.472 -8.970 -1.775 1.00 32.20 H new ATOM 0 HG3 GLU A 161 18.572 -10.406 -1.331 1.00 32.20 H new ATOM 1156 N GLY A 162 15.069 -7.952 -3.235 1.00 13.43 N ATOM 1157 CA GLY A 162 13.864 -7.584 -3.958 1.00 25.50 C ATOM 1158 C GLY A 162 12.646 -7.517 -3.057 1.00 70.12 C ATOM 1159 O GLY A 162 12.208 -8.534 -2.518 1.00 31.05 O ATOM 0 H GLY A 162 14.957 -8.726 -2.581 1.00 13.43 H new ATOM 0 HA2 GLY A 162 14.012 -6.616 -4.436 1.00 25.50 H new ATOM 0 HA3 GLY A 162 13.685 -8.308 -4.753 1.00 25.50 H new ATOM 1163 N ILE A 163 12.100 -6.317 -2.894 1.00 72.24 N ATOM 1164 CA ILE A 163 10.925 -6.122 -2.052 1.00 45.15 C ATOM 1165 C ILE A 163 9.677 -5.888 -2.896 1.00 73.13 C ATOM 1166 O ILE A 163 9.720 -5.183 -3.905 1.00 23.41 O ATOM 1167 CB ILE A 163 11.113 -4.932 -1.093 1.00 34.24 C ATOM 1168 CG1 ILE A 163 12.337 -5.153 -0.204 1.00 24.42 C ATOM 1169 CG2 ILE A 163 9.865 -4.734 -0.245 1.00 32.03 C ATOM 1170 CD1 ILE A 163 12.664 -3.970 0.680 1.00 24.04 C ATOM 0 H ILE A 163 12.451 -5.466 -3.333 1.00 72.24 H new ATOM 0 HA ILE A 163 10.800 -7.034 -1.468 1.00 45.15 H new ATOM 0 HB ILE A 163 11.275 -4.030 -1.684 1.00 34.24 H new ATOM 0 HG12 ILE A 163 12.167 -6.028 0.423 1.00 24.42 H new ATOM 0 HG13 ILE A 163 13.198 -5.374 -0.834 1.00 24.42 H new ATOM 0 HG21 ILE A 163 10.013 -3.889 0.428 1.00 32.03 H new ATOM 0 HG22 ILE A 163 9.012 -4.536 -0.894 1.00 32.03 H new ATOM 0 HG23 ILE A 163 9.675 -5.635 0.339 1.00 32.03 H new ATOM 0 HD11 ILE A 163 13.543 -4.198 1.283 1.00 24.04 H new ATOM 0 HD12 ILE A 163 12.866 -3.097 0.059 1.00 24.04 H new ATOM 0 HD13 ILE A 163 11.819 -3.761 1.336 1.00 24.04 H new ATOM 1182 N ILE A 164 8.566 -6.483 -2.477 1.00 33.51 N ATOM 1183 CA ILE A 164 7.304 -6.338 -3.192 1.00 70.14 C ATOM 1184 C ILE A 164 6.196 -5.861 -2.260 1.00 73.53 C ATOM 1185 O ILE A 164 5.901 -6.501 -1.249 1.00 45.13 O ATOM 1186 CB ILE A 164 6.874 -7.663 -3.849 1.00 53.41 C ATOM 1187 CG1 ILE A 164 7.968 -8.169 -4.791 1.00 70.31 C ATOM 1188 CG2 ILE A 164 5.563 -7.480 -4.600 1.00 61.25 C ATOM 1189 CD1 ILE A 164 7.724 -9.572 -5.301 1.00 62.25 C ATOM 0 H ILE A 164 8.514 -7.071 -1.645 1.00 33.51 H new ATOM 0 HA ILE A 164 7.466 -5.592 -3.970 1.00 70.14 H new ATOM 0 HB ILE A 164 6.722 -8.407 -3.067 1.00 53.41 H new ATOM 0 HG12 ILE A 164 8.047 -7.491 -5.641 1.00 70.31 H new ATOM 0 HG13 ILE A 164 8.926 -8.141 -4.271 1.00 70.31 H new ATOM 0 HG21 ILE A 164 5.272 -8.425 -5.059 1.00 61.25 H new ATOM 0 HG22 ILE A 164 4.787 -7.160 -3.905 1.00 61.25 H new ATOM 0 HG23 ILE A 164 5.690 -6.724 -5.375 1.00 61.25 H new ATOM 0 HD11 ILE A 164 8.539 -9.865 -5.963 1.00 62.25 H new ATOM 0 HD12 ILE A 164 7.675 -10.262 -4.459 1.00 62.25 H new ATOM 0 HD13 ILE A 164 6.783 -9.601 -5.850 1.00 62.25 H new ATOM 1201 N HIS A 165 5.581 -4.735 -2.607 1.00 21.31 N ATOM 1202 CA HIS A 165 4.501 -4.174 -1.803 1.00 4.43 C ATOM 1203 C HIS A 165 3.141 -4.585 -2.357 1.00 14.32 C ATOM 1204 O HIS A 165 2.925 -4.579 -3.570 1.00 35.34 O ATOM 1205 CB HIS A 165 4.609 -2.649 -1.760 1.00 54.10 C ATOM 1206 CG HIS A 165 6.005 -2.153 -1.543 1.00 54.25 C ATOM 1207 ND1 HIS A 165 6.798 -1.667 -2.561 1.00 44.14 N ATOM 1208 CD2 HIS A 165 6.749 -2.067 -0.415 1.00 50.24 C ATOM 1209 CE1 HIS A 165 7.970 -1.306 -2.070 1.00 2.50 C ATOM 1210 NE2 HIS A 165 7.966 -1.537 -0.771 1.00 21.34 N ATOM 0 H HIS A 165 5.812 -4.193 -3.440 1.00 21.31 H new ATOM 0 HA HIS A 165 4.593 -4.566 -0.790 1.00 4.43 H new ATOM 0 HB2 HIS A 165 4.228 -2.240 -2.696 1.00 54.10 H new ATOM 0 HB3 HIS A 165 3.970 -2.270 -0.963 1.00 54.10 H new ATOM 0 HD2 HIS A 165 6.443 -2.360 0.579 1.00 50.24 H new ATOM 0 HE1 HIS A 165 8.792 -0.892 -2.636 1.00 2.50 H new ATOM 0 HE2 HIS A 165 8.741 -1.352 -0.134 1.00 21.34 H new ATOM 1218 N THR A 166 2.225 -4.941 -1.461 1.00 1.20 N ATOM 1219 CA THR A 166 0.887 -5.357 -1.860 1.00 50.32 C ATOM 1220 C THR A 166 -0.180 -4.604 -1.074 1.00 11.15 C ATOM 1221 O THR A 166 -0.423 -4.894 0.099 1.00 45.01 O ATOM 1222 CB THR A 166 0.685 -6.870 -1.659 1.00 71.42 C ATOM 1223 OG1 THR A 166 1.865 -7.451 -1.092 1.00 54.10 O ATOM 1224 CG2 THR A 166 0.361 -7.554 -2.979 1.00 44.42 C ATOM 0 H THR A 166 2.386 -4.949 -0.454 1.00 1.20 H new ATOM 0 HA THR A 166 0.787 -5.123 -2.920 1.00 50.32 H new ATOM 0 HB THR A 166 -0.154 -7.014 -0.978 1.00 71.42 H new ATOM 0 HG1 THR A 166 2.000 -7.100 -0.187 1.00 54.10 H new ATOM 0 HG21 THR A 166 0.223 -8.622 -2.811 1.00 44.42 H new ATOM 0 HG22 THR A 166 -0.554 -7.130 -3.393 1.00 44.42 H new ATOM 0 HG23 THR A 166 1.182 -7.400 -3.680 1.00 44.42 H new ATOM 1232 N LEU A 167 -0.816 -3.636 -1.724 1.00 43.13 N ATOM 1233 CA LEU A 167 -1.859 -2.841 -1.086 1.00 31.11 C ATOM 1234 C LEU A 167 -3.053 -3.712 -0.707 1.00 61.40 C ATOM 1235 O LEU A 167 -3.461 -4.588 -1.471 1.00 61.00 O ATOM 1236 CB LEU A 167 -2.311 -1.714 -2.015 1.00 44.23 C ATOM 1237 CG LEU A 167 -3.608 -1.004 -1.629 1.00 2.54 C ATOM 1238 CD1 LEU A 167 -3.531 -0.490 -0.199 1.00 64.33 C ATOM 1239 CD2 LEU A 167 -3.899 0.138 -2.592 1.00 64.02 C ATOM 0 H LEU A 167 -0.627 -3.382 -2.694 1.00 43.13 H new ATOM 0 HA LEU A 167 -1.444 -2.408 -0.176 1.00 31.11 H new ATOM 0 HB2 LEU A 167 -1.515 -0.971 -2.065 1.00 44.23 H new ATOM 0 HB3 LEU A 167 -2.429 -2.123 -3.018 1.00 44.23 H new ATOM 0 HG LEU A 167 -4.425 -1.723 -1.692 1.00 2.54 H new ATOM 0 HD11 LEU A 167 -4.464 0.013 0.058 1.00 64.33 H new ATOM 0 HD12 LEU A 167 -3.371 -1.327 0.480 1.00 64.33 H new ATOM 0 HD13 LEU A 167 -2.703 0.213 -0.109 1.00 64.33 H new ATOM 0 HD21 LEU A 167 -4.826 0.632 -2.301 1.00 64.02 H new ATOM 0 HD22 LEU A 167 -3.080 0.857 -2.562 1.00 64.02 H new ATOM 0 HD23 LEU A 167 -3.999 -0.256 -3.603 1.00 64.02 H new ATOM 1251 N ILE A 168 -3.609 -3.464 0.474 1.00 41.20 N ATOM 1252 CA ILE A 168 -4.758 -4.224 0.951 1.00 1.52 C ATOM 1253 C ILE A 168 -5.787 -3.309 1.608 1.00 41.34 C ATOM 1254 O ILE A 168 -5.488 -2.621 2.584 1.00 53.35 O ATOM 1255 CB ILE A 168 -4.336 -5.309 1.958 1.00 31.32 C ATOM 1256 CG1 ILE A 168 -3.254 -6.206 1.352 1.00 0.23 C ATOM 1257 CG2 ILE A 168 -5.541 -6.136 2.381 1.00 62.41 C ATOM 1258 CD1 ILE A 168 -2.994 -7.465 2.150 1.00 14.44 C ATOM 0 H ILE A 168 -3.283 -2.743 1.118 1.00 41.20 H new ATOM 0 HA ILE A 168 -5.204 -4.703 0.079 1.00 1.52 H new ATOM 0 HB ILE A 168 -3.925 -4.823 2.842 1.00 31.32 H new ATOM 0 HG12 ILE A 168 -3.548 -6.482 0.339 1.00 0.23 H new ATOM 0 HG13 ILE A 168 -2.327 -5.639 1.272 1.00 0.23 H new ATOM 0 HG21 ILE A 168 -5.227 -6.899 3.093 1.00 62.41 H new ATOM 0 HG22 ILE A 168 -6.282 -5.487 2.848 1.00 62.41 H new ATOM 0 HG23 ILE A 168 -5.979 -6.615 1.505 1.00 62.41 H new ATOM 0 HD11 ILE A 168 -2.216 -8.051 1.661 1.00 14.44 H new ATOM 0 HD12 ILE A 168 -2.669 -7.198 3.156 1.00 14.44 H new ATOM 0 HD13 ILE A 168 -3.909 -8.054 2.209 1.00 14.44 H new ATOM 1270 N VAL A 169 -7.001 -3.310 1.066 1.00 12.53 N ATOM 1271 CA VAL A 169 -8.076 -2.482 1.601 1.00 62.21 C ATOM 1272 C VAL A 169 -9.268 -3.335 2.022 1.00 62.01 C ATOM 1273 O VAL A 169 -9.734 -4.186 1.265 1.00 64.34 O ATOM 1274 CB VAL A 169 -8.545 -1.438 0.571 1.00 50.41 C ATOM 1275 CG1 VAL A 169 -9.701 -0.620 1.128 1.00 60.42 C ATOM 1276 CG2 VAL A 169 -7.391 -0.535 0.164 1.00 42.23 C ATOM 0 H VAL A 169 -7.264 -3.874 0.258 1.00 12.53 H new ATOM 0 HA VAL A 169 -7.675 -1.966 2.474 1.00 62.21 H new ATOM 0 HB VAL A 169 -8.897 -1.963 -0.317 1.00 50.41 H new ATOM 0 HG11 VAL A 169 -10.019 0.113 0.386 1.00 60.42 H new ATOM 0 HG12 VAL A 169 -10.534 -1.282 1.365 1.00 60.42 H new ATOM 0 HG13 VAL A 169 -9.379 -0.104 2.033 1.00 60.42 H new ATOM 0 HG21 VAL A 169 -7.741 0.197 -0.564 1.00 42.23 H new ATOM 0 HG22 VAL A 169 -7.007 -0.017 1.043 1.00 42.23 H new ATOM 0 HG23 VAL A 169 -6.597 -1.136 -0.279 1.00 42.23 H new ATOM 1286 N ASP A 170 -9.756 -3.100 3.235 1.00 53.21 N ATOM 1287 CA ASP A 170 -10.896 -3.845 3.758 1.00 23.31 C ATOM 1288 C ASP A 170 -10.598 -5.341 3.790 1.00 5.15 C ATOM 1289 O ASP A 170 -11.474 -6.165 3.533 1.00 12.53 O ATOM 1290 CB ASP A 170 -12.139 -3.580 2.909 1.00 0.45 C ATOM 1291 CG ASP A 170 -12.828 -2.282 3.282 1.00 1.41 C ATOM 1292 OD1 ASP A 170 -12.358 -1.609 4.224 1.00 24.20 O ATOM 1293 OD2 ASP A 170 -13.837 -1.937 2.631 1.00 23.55 O ATOM 0 H ASP A 170 -9.380 -2.400 3.875 1.00 53.21 H new ATOM 0 HA ASP A 170 -11.083 -3.507 4.777 1.00 23.31 H new ATOM 0 HB2 ASP A 170 -11.857 -3.549 1.857 1.00 0.45 H new ATOM 0 HB3 ASP A 170 -12.839 -4.407 3.027 1.00 0.45 H new ATOM 1298 N ASN A 171 -9.353 -5.684 4.108 1.00 32.25 N ATOM 1299 CA ASN A 171 -8.938 -7.081 4.173 1.00 10.22 C ATOM 1300 C ASN A 171 -9.049 -7.745 2.805 1.00 43.42 C ATOM 1301 O ASN A 171 -9.514 -8.879 2.689 1.00 42.31 O ATOM 1302 CB ASN A 171 -9.791 -7.841 5.192 1.00 72.35 C ATOM 1303 CG ASN A 171 -8.986 -8.857 5.978 1.00 45.43 C ATOM 1304 OD1 ASN A 171 -8.073 -8.499 6.722 1.00 31.40 O ATOM 1305 ND2 ASN A 171 -9.319 -10.132 5.814 1.00 54.21 N ATOM 0 H ASN A 171 -8.615 -5.014 4.324 1.00 32.25 H new ATOM 0 HA ASN A 171 -7.895 -7.110 4.488 1.00 10.22 H new ATOM 0 HB2 ASN A 171 -10.247 -7.131 5.882 1.00 72.35 H new ATOM 0 HB3 ASN A 171 -10.605 -8.349 4.674 1.00 72.35 H new ATOM 0 HD21 ASN A 171 -8.811 -10.860 6.315 1.00 54.21 H new ATOM 0 HD22 ASN A 171 -10.083 -10.383 5.187 1.00 54.21 H new ATOM 1312 N ARG A 172 -8.615 -7.032 1.770 1.00 12.31 N ATOM 1313 CA ARG A 172 -8.665 -7.551 0.409 1.00 52.44 C ATOM 1314 C ARG A 172 -7.417 -7.150 -0.372 1.00 72.02 C ATOM 1315 O ARG A 172 -7.049 -5.976 -0.412 1.00 21.44 O ATOM 1316 CB ARG A 172 -9.916 -7.040 -0.309 1.00 53.41 C ATOM 1317 CG ARG A 172 -10.960 -8.116 -0.556 1.00 30.34 C ATOM 1318 CD ARG A 172 -11.310 -8.226 -2.032 1.00 31.43 C ATOM 1319 NE ARG A 172 -12.398 -9.172 -2.268 1.00 21.54 N ATOM 1320 CZ ARG A 172 -12.237 -10.490 -2.270 1.00 71.02 C ATOM 1321 NH1 ARG A 172 -11.041 -11.017 -2.050 1.00 44.04 N ATOM 1322 NH2 ARG A 172 -13.276 -11.285 -2.492 1.00 73.45 N ATOM 0 H ARG A 172 -8.225 -6.093 1.849 1.00 12.31 H new ATOM 0 HA ARG A 172 -8.705 -8.639 0.463 1.00 52.44 H new ATOM 0 HB2 ARG A 172 -10.363 -6.241 0.283 1.00 53.41 H new ATOM 0 HB3 ARG A 172 -9.623 -6.604 -1.264 1.00 53.41 H new ATOM 0 HG2 ARG A 172 -10.587 -9.075 -0.197 1.00 30.34 H new ATOM 0 HG3 ARG A 172 -11.860 -7.890 0.016 1.00 30.34 H new ATOM 0 HD2 ARG A 172 -11.595 -7.244 -2.411 1.00 31.43 H new ATOM 0 HD3 ARG A 172 -10.429 -8.540 -2.591 1.00 31.43 H new ATOM 0 HE ARG A 172 -13.332 -8.800 -2.441 1.00 21.54 H new ATOM 0 HH11 ARG A 172 -10.240 -10.410 -1.878 1.00 44.04 H new ATOM 0 HH12 ARG A 172 -10.922 -12.030 -2.052 1.00 44.04 H new ATOM 0 HH21 ARG A 172 -14.198 -10.884 -2.661 1.00 73.45 H new ATOM 0 HH22 ARG A 172 -13.152 -12.297 -2.494 1.00 73.45 H new ATOM 1336 N GLU A 173 -6.772 -8.133 -0.992 1.00 23.51 N ATOM 1337 CA GLU A 173 -5.565 -7.882 -1.770 1.00 31.34 C ATOM 1338 C GLU A 173 -5.861 -6.961 -2.950 1.00 45.25 C ATOM 1339 O GLU A 173 -6.947 -7.005 -3.529 1.00 22.41 O ATOM 1340 CB GLU A 173 -4.972 -9.200 -2.273 1.00 74.23 C ATOM 1341 CG GLU A 173 -3.513 -9.094 -2.683 1.00 73.03 C ATOM 1342 CD GLU A 173 -2.752 -10.389 -2.475 1.00 32.40 C ATOM 1343 OE1 GLU A 173 -2.713 -10.876 -1.326 1.00 52.31 O ATOM 1344 OE2 GLU A 173 -2.197 -10.915 -3.462 1.00 21.42 O ATOM 0 H GLU A 173 -7.065 -9.110 -0.971 1.00 23.51 H new ATOM 0 HA GLU A 173 -4.840 -7.391 -1.121 1.00 31.34 H new ATOM 0 HB2 GLU A 173 -5.067 -9.953 -1.491 1.00 74.23 H new ATOM 0 HB3 GLU A 173 -5.555 -9.550 -3.125 1.00 74.23 H new ATOM 0 HG2 GLU A 173 -3.455 -8.808 -3.733 1.00 73.03 H new ATOM 0 HG3 GLU A 173 -3.035 -8.300 -2.109 1.00 73.03 H new ATOM 1351 N ILE A 174 -4.886 -6.129 -3.302 1.00 52.31 N ATOM 1352 CA ILE A 174 -5.042 -5.198 -4.413 1.00 64.03 C ATOM 1353 C ILE A 174 -3.940 -5.391 -5.450 1.00 41.41 C ATOM 1354 O ILE A 174 -2.754 -5.454 -5.126 1.00 51.12 O ATOM 1355 CB ILE A 174 -5.026 -3.737 -3.930 1.00 10.32 C ATOM 1356 CG1 ILE A 174 -6.182 -3.485 -2.960 1.00 14.41 C ATOM 1357 CG2 ILE A 174 -5.105 -2.786 -5.114 1.00 53.33 C ATOM 1358 CD1 ILE A 174 -7.164 -2.442 -3.448 1.00 32.41 C ATOM 0 H ILE A 174 -3.981 -6.081 -2.834 1.00 52.31 H new ATOM 0 HA ILE A 174 -6.009 -5.410 -4.869 1.00 64.03 H new ATOM 0 HB ILE A 174 -4.089 -3.554 -3.405 1.00 10.32 H new ATOM 0 HG12 ILE A 174 -6.714 -4.421 -2.790 1.00 14.41 H new ATOM 0 HG13 ILE A 174 -5.777 -3.169 -1.999 1.00 14.41 H new ATOM 0 HG21 ILE A 174 -5.093 -1.757 -4.755 1.00 53.33 H new ATOM 0 HG22 ILE A 174 -4.251 -2.952 -5.771 1.00 53.33 H new ATOM 0 HG23 ILE A 174 -6.028 -2.967 -5.665 1.00 53.33 H new ATOM 0 HD11 ILE A 174 -7.956 -2.315 -2.710 1.00 32.41 H new ATOM 0 HD12 ILE A 174 -6.646 -1.494 -3.591 1.00 32.41 H new ATOM 0 HD13 ILE A 174 -7.598 -2.765 -4.394 1.00 32.41 H new ATOM 1370 N PRO A 175 -4.339 -5.486 -6.727 1.00 32.25 N ATOM 1371 CA PRO A 175 -3.401 -5.671 -7.838 1.00 31.11 C ATOM 1372 C PRO A 175 -2.552 -4.429 -8.093 1.00 34.43 C ATOM 1373 O PRO A 175 -3.065 -3.310 -8.111 1.00 20.11 O ATOM 1374 CB PRO A 175 -4.316 -5.948 -9.033 1.00 33.23 C ATOM 1375 CG PRO A 175 -5.610 -5.299 -8.678 1.00 24.34 C ATOM 1376 CD PRO A 175 -5.737 -5.421 -7.184 1.00 54.40 C ATOM 0 HA PRO A 175 -2.685 -6.468 -7.638 1.00 31.11 H new ATOM 0 HB2 PRO A 175 -3.904 -5.532 -9.952 1.00 33.23 H new ATOM 0 HB3 PRO A 175 -4.442 -7.018 -9.196 1.00 33.23 H new ATOM 0 HG2 PRO A 175 -5.620 -4.254 -8.987 1.00 24.34 H new ATOM 0 HG3 PRO A 175 -6.443 -5.788 -9.182 1.00 24.34 H new ATOM 0 HD2 PRO A 175 -6.261 -4.567 -6.754 1.00 54.40 H new ATOM 0 HD3 PRO A 175 -6.295 -6.313 -6.900 1.00 54.40 H new ATOM 1384 N GLU A 176 -1.254 -4.635 -8.289 1.00 70.24 N ATOM 1385 CA GLU A 176 -0.336 -3.531 -8.543 1.00 33.13 C ATOM 1386 C GLU A 176 -0.205 -3.265 -10.040 1.00 31.23 C ATOM 1387 O GLU A 176 -0.356 -4.173 -10.859 1.00 31.01 O ATOM 1388 CB GLU A 176 1.040 -3.835 -7.945 1.00 12.24 C ATOM 1389 CG GLU A 176 1.754 -2.607 -7.406 1.00 13.33 C ATOM 1390 CD GLU A 176 3.081 -2.354 -8.095 1.00 31.44 C ATOM 1391 OE1 GLU A 176 4.040 -3.108 -7.828 1.00 74.50 O ATOM 1392 OE2 GLU A 176 3.160 -1.403 -8.900 1.00 24.21 O ATOM 0 H GLU A 176 -0.814 -5.555 -8.277 1.00 70.24 H new ATOM 0 HA GLU A 176 -0.742 -2.638 -8.068 1.00 33.13 H new ATOM 0 HB2 GLU A 176 0.925 -4.561 -7.140 1.00 12.24 H new ATOM 0 HB3 GLU A 176 1.663 -4.302 -8.708 1.00 12.24 H new ATOM 0 HG2 GLU A 176 1.112 -1.735 -7.530 1.00 13.33 H new ATOM 0 HG3 GLU A 176 1.922 -2.729 -6.336 1.00 13.33 H new