USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=18 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 170:sc= -0.0232 (180deg=-0.222) USER MOD Set 1.2: A 138 THR OG1 : rot -157:sc= 0 USER MOD Single : A 96 THR OG1 : rot 18:sc= 0.374 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= -0.0793 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 122 CYS SG : rot 180:sc= -5.33! USER MOD Single : A 123 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.61) 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 155:sc= -6.08! (180deg=-9.05!) USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 THR OG1 : rot 81:sc= 1.3 USER MOD Single : A 141 HIS : no HE2:sc= -0.847 X(o=-0.85,f=-1.2) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 146 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 147 HIS : no HD1:sc= -0.249 X(o=-0.25,f=-0.11) USER MOD Single : A 149 CYS SG : rot 69:sc= -0.242 USER MOD Single : A 150 TYR OH : rot 180:sc= -0.0311 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 165 HIS : no HD1:sc= -0.884 X(o=-0.88,f=-0.4) USER MOD Single : A 166 THR OG1 : rot 46:sc= 0.442 USER MOD Single : A 171 ASN : amide:sc= 0.173 X(o=0.17,f=0) USER MOD ----------------------------------------------------------------- ATOM 145 N THR A 96 11.288 0.885 -7.251 1.00 21.44 N ATOM 146 CA THR A 96 11.269 2.260 -7.731 1.00 51.21 C ATOM 147 C THR A 96 10.032 2.999 -7.232 1.00 41.30 C ATOM 148 O THR A 96 10.130 3.910 -6.409 1.00 5.03 O ATOM 149 CB THR A 96 11.302 2.319 -9.270 1.00 55.03 C ATOM 150 OG1 THR A 96 12.174 1.304 -9.780 1.00 41.22 O ATOM 151 CG2 THR A 96 11.769 3.684 -9.750 1.00 42.13 C ATOM 0 HA THR A 96 12.163 2.744 -7.337 1.00 51.21 H new ATOM 0 HB THR A 96 10.291 2.149 -9.640 1.00 55.03 H new ATOM 0 HG1 THR A 96 12.329 0.628 -9.088 1.00 41.22 H new ATOM 0 HG21 THR A 96 11.784 3.701 -10.840 1.00 42.13 H new ATOM 0 HG22 THR A 96 11.087 4.451 -9.384 1.00 42.13 H new ATOM 0 HG23 THR A 96 12.772 3.880 -9.370 1.00 42.13 H new ATOM 159 N THR A 97 8.868 2.602 -7.735 1.00 21.10 N ATOM 160 CA THR A 97 7.612 3.227 -7.340 1.00 51.14 C ATOM 161 C THR A 97 6.426 2.317 -7.642 1.00 20.00 C ATOM 162 O THR A 97 6.274 1.831 -8.762 1.00 53.54 O ATOM 163 CB THR A 97 7.406 4.575 -8.058 1.00 33.15 C ATOM 164 OG1 THR A 97 7.975 4.524 -9.371 1.00 35.43 O ATOM 165 CG2 THR A 97 8.039 5.710 -7.268 1.00 41.53 C ATOM 0 H THR A 97 8.769 1.850 -8.417 1.00 21.10 H new ATOM 0 HA THR A 97 7.669 3.400 -6.265 1.00 51.14 H new ATOM 0 HB THR A 97 6.335 4.760 -8.135 1.00 33.15 H new ATOM 0 HG1 THR A 97 7.838 5.384 -9.821 1.00 35.43 H new ATOM 0 HG21 THR A 97 7.881 6.652 -7.794 1.00 41.53 H new ATOM 0 HG22 THR A 97 7.582 5.765 -6.280 1.00 41.53 H new ATOM 0 HG23 THR A 97 9.109 5.528 -7.163 1.00 41.53 H new ATOM 173 N SER A 98 5.588 2.092 -6.636 1.00 30.25 N ATOM 174 CA SER A 98 4.417 1.237 -6.792 1.00 45.21 C ATOM 175 C SER A 98 3.140 2.071 -6.850 1.00 30.22 C ATOM 176 O SER A 98 3.072 3.164 -6.287 1.00 2.13 O ATOM 177 CB SER A 98 4.334 0.234 -5.641 1.00 13.15 C ATOM 178 OG SER A 98 5.087 -0.932 -5.924 1.00 30.24 O ATOM 0 H SER A 98 5.698 2.490 -5.703 1.00 30.25 H new ATOM 0 HA SER A 98 4.517 0.692 -7.731 1.00 45.21 H new ATOM 0 HB2 SER A 98 4.703 0.696 -4.725 1.00 13.15 H new ATOM 0 HB3 SER A 98 3.293 -0.036 -5.464 1.00 13.15 H new ATOM 0 HG SER A 98 5.018 -1.556 -5.172 1.00 30.24 H new ATOM 184 N THR A 99 2.129 1.546 -7.535 1.00 12.43 N ATOM 185 CA THR A 99 0.855 2.240 -7.668 1.00 52.12 C ATOM 186 C THR A 99 -0.306 1.254 -7.713 1.00 34.30 C ATOM 187 O THR A 99 -0.201 0.182 -8.310 1.00 11.33 O ATOM 188 CB THR A 99 0.820 3.114 -8.937 1.00 22.40 C ATOM 189 OG1 THR A 99 1.857 4.100 -8.881 1.00 30.33 O ATOM 190 CG2 THR A 99 -0.531 3.797 -9.087 1.00 4.21 C ATOM 0 H THR A 99 2.168 0.642 -8.006 1.00 12.43 H new ATOM 0 HA THR A 99 0.752 2.880 -6.792 1.00 52.12 H new ATOM 0 HB THR A 99 0.980 2.469 -9.801 1.00 22.40 H new ATOM 0 HG1 THR A 99 1.829 4.650 -9.691 1.00 30.33 H new ATOM 0 HG21 THR A 99 -0.532 4.408 -9.990 1.00 4.21 H new ATOM 0 HG22 THR A 99 -1.314 3.042 -9.159 1.00 4.21 H new ATOM 0 HG23 THR A 99 -0.717 4.431 -8.220 1.00 4.21 H new ATOM 198 N TRP A 100 -1.414 1.622 -7.077 1.00 64.04 N ATOM 199 CA TRP A 100 -2.595 0.769 -7.045 1.00 75.25 C ATOM 200 C TRP A 100 -3.851 1.563 -7.387 1.00 13.42 C ATOM 201 O TRP A 100 -3.874 2.788 -7.266 1.00 4.03 O ATOM 202 CB TRP A 100 -2.746 0.121 -5.668 1.00 15.12 C ATOM 203 CG TRP A 100 -1.559 -0.701 -5.265 1.00 11.11 C ATOM 204 CD1 TRP A 100 -1.362 -2.030 -5.509 1.00 52.44 C ATOM 205 CD2 TRP A 100 -0.408 -0.248 -4.545 1.00 2.03 C ATOM 206 NE1 TRP A 100 -0.157 -2.430 -4.984 1.00 51.32 N ATOM 207 CE2 TRP A 100 0.448 -1.355 -4.389 1.00 30.24 C ATOM 208 CE3 TRP A 100 -0.015 0.987 -4.019 1.00 62.34 C ATOM 209 CZ2 TRP A 100 1.670 -1.264 -3.727 1.00 41.14 C ATOM 210 CZ3 TRP A 100 1.198 1.075 -3.363 1.00 71.15 C ATOM 211 CH2 TRP A 100 2.029 -0.044 -3.223 1.00 43.22 C ATOM 0 H TRP A 100 -1.518 2.505 -6.577 1.00 64.04 H new ATOM 0 HA TRP A 100 -2.467 -0.012 -7.794 1.00 75.25 H new ATOM 0 HB2 TRP A 100 -2.909 0.900 -4.924 1.00 15.12 H new ATOM 0 HB3 TRP A 100 -3.634 -0.511 -5.667 1.00 15.12 H new ATOM 0 HD1 TRP A 100 -2.052 -2.672 -6.037 1.00 52.44 H new ATOM 0 HE1 TRP A 100 0.225 -3.375 -5.030 1.00 51.32 H new ATOM 0 HE3 TRP A 100 -0.648 1.856 -4.124 1.00 62.34 H new ATOM 0 HZ2 TRP A 100 2.311 -2.126 -3.616 1.00 41.14 H new ATOM 0 HZ3 TRP A 100 1.511 2.023 -2.951 1.00 71.15 H new ATOM 0 HH2 TRP A 100 2.972 0.059 -2.707 1.00 43.22 H new ATOM 222 N VAL A 101 -4.895 0.860 -7.815 1.00 42.40 N ATOM 223 CA VAL A 101 -6.154 1.501 -8.172 1.00 42.20 C ATOM 224 C VAL A 101 -7.339 0.769 -7.552 1.00 41.42 C ATOM 225 O VAL A 101 -7.616 -0.383 -7.889 1.00 63.51 O ATOM 226 CB VAL A 101 -6.341 1.557 -9.700 1.00 61.43 C ATOM 227 CG1 VAL A 101 -7.549 2.410 -10.060 1.00 30.35 C ATOM 228 CG2 VAL A 101 -5.084 2.089 -10.372 1.00 63.41 C ATOM 0 H VAL A 101 -4.893 -0.154 -7.923 1.00 42.40 H new ATOM 0 HA VAL A 101 -6.114 2.518 -7.781 1.00 42.20 H new ATOM 0 HB VAL A 101 -6.519 0.545 -10.063 1.00 61.43 H new ATOM 0 HG11 VAL A 101 -7.665 2.438 -11.143 1.00 30.35 H new ATOM 0 HG12 VAL A 101 -8.444 1.981 -9.610 1.00 30.35 H new ATOM 0 HG13 VAL A 101 -7.404 3.423 -9.685 1.00 30.35 H new ATOM 0 HG21 VAL A 101 -5.234 2.122 -11.451 1.00 63.41 H new ATOM 0 HG22 VAL A 101 -4.872 3.093 -10.005 1.00 63.41 H new ATOM 0 HG23 VAL A 101 -4.244 1.434 -10.142 1.00 63.41 H new ATOM 238 N LEU A 102 -8.037 1.444 -6.646 1.00 5.43 N ATOM 239 CA LEU A 102 -9.194 0.859 -5.978 1.00 64.14 C ATOM 240 C LEU A 102 -10.295 1.897 -5.787 1.00 23.31 C ATOM 241 O LEU A 102 -10.019 3.081 -5.596 1.00 3.32 O ATOM 242 CB LEU A 102 -8.784 0.276 -4.624 1.00 33.31 C ATOM 243 CG LEU A 102 -8.438 1.291 -3.534 1.00 60.33 C ATOM 244 CD1 LEU A 102 -9.064 0.884 -2.209 1.00 1.34 C ATOM 245 CD2 LEU A 102 -6.929 1.428 -3.393 1.00 61.22 C ATOM 0 H LEU A 102 -7.822 2.398 -6.357 1.00 5.43 H new ATOM 0 HA LEU A 102 -9.582 0.059 -6.609 1.00 64.14 H new ATOM 0 HB2 LEU A 102 -9.596 -0.354 -4.261 1.00 33.31 H new ATOM 0 HB3 LEU A 102 -7.921 -0.372 -4.776 1.00 33.31 H new ATOM 0 HG LEU A 102 -8.845 2.260 -3.823 1.00 60.33 H new ATOM 0 HD11 LEU A 102 -8.807 1.618 -1.445 1.00 1.34 H new ATOM 0 HD12 LEU A 102 -10.148 0.837 -2.318 1.00 1.34 H new ATOM 0 HD13 LEU A 102 -8.686 -0.095 -1.914 1.00 1.34 H new ATOM 0 HD21 LEU A 102 -6.701 2.154 -2.613 1.00 61.22 H new ATOM 0 HD22 LEU A 102 -6.499 0.462 -3.127 1.00 61.22 H new ATOM 0 HD23 LEU A 102 -6.504 1.766 -4.338 1.00 61.22 H new ATOM 257 N ARG A 103 -11.543 1.443 -5.836 1.00 32.14 N ATOM 258 CA ARG A 103 -12.686 2.332 -5.667 1.00 32.24 C ATOM 259 C ARG A 103 -12.822 2.772 -4.211 1.00 4.54 C ATOM 260 O ARG A 103 -13.466 2.100 -3.405 1.00 63.11 O ATOM 261 CB ARG A 103 -13.971 1.638 -6.122 1.00 12.55 C ATOM 262 CG ARG A 103 -13.864 1.002 -7.498 1.00 72.02 C ATOM 263 CD ARG A 103 -15.235 0.676 -8.070 1.00 13.21 C ATOM 264 NE ARG A 103 -15.853 1.839 -8.703 1.00 75.43 N ATOM 265 CZ ARG A 103 -17.029 1.800 -9.321 1.00 31.54 C ATOM 266 NH1 ARG A 103 -17.710 0.664 -9.386 1.00 22.33 N ATOM 267 NH2 ARG A 103 -17.526 2.900 -9.872 1.00 74.45 N ATOM 0 H ARG A 103 -11.788 0.465 -5.991 1.00 32.14 H new ATOM 0 HA ARG A 103 -12.521 3.216 -6.283 1.00 32.24 H new ATOM 0 HB2 ARG A 103 -14.236 0.870 -5.395 1.00 12.55 H new ATOM 0 HB3 ARG A 103 -14.784 2.364 -6.129 1.00 12.55 H new ATOM 0 HG2 ARG A 103 -13.339 1.678 -8.173 1.00 72.02 H new ATOM 0 HG3 ARG A 103 -13.270 0.091 -7.433 1.00 72.02 H new ATOM 0 HD2 ARG A 103 -15.142 -0.128 -8.800 1.00 13.21 H new ATOM 0 HD3 ARG A 103 -15.883 0.309 -7.274 1.00 13.21 H new ATOM 0 HE ARG A 103 -15.355 2.729 -8.669 1.00 75.43 H new ATOM 0 HH11 ARG A 103 -17.332 -0.183 -8.961 1.00 22.33 H new ATOM 0 HH12 ARG A 103 -18.612 0.637 -9.861 1.00 22.33 H new ATOM 0 HH21 ARG A 103 -17.005 3.776 -9.821 1.00 74.45 H new ATOM 0 HH22 ARG A 103 -18.429 2.870 -10.346 1.00 74.45 H new ATOM 281 N LEU A 104 -12.210 3.905 -3.882 1.00 60.24 N ATOM 282 CA LEU A 104 -12.261 4.435 -2.524 1.00 33.32 C ATOM 283 C LEU A 104 -12.863 5.837 -2.509 1.00 64.33 C ATOM 284 O LEU A 104 -12.754 6.580 -3.486 1.00 35.35 O ATOM 285 CB LEU A 104 -10.860 4.462 -1.913 1.00 5.04 C ATOM 286 CG LEU A 104 -10.771 4.131 -0.422 1.00 72.12 C ATOM 287 CD1 LEU A 104 -9.577 3.231 -0.146 1.00 63.34 C ATOM 288 CD2 LEU A 104 -10.682 5.406 0.403 1.00 12.23 C ATOM 0 H LEU A 104 -11.673 4.474 -4.537 1.00 60.24 H new ATOM 0 HA LEU A 104 -12.897 3.780 -1.928 1.00 33.32 H new ATOM 0 HB2 LEU A 104 -10.234 3.757 -2.459 1.00 5.04 H new ATOM 0 HB3 LEU A 104 -10.436 5.454 -2.071 1.00 5.04 H new ATOM 0 HG LEU A 104 -11.677 3.598 -0.133 1.00 72.12 H new ATOM 0 HD11 LEU A 104 -9.530 3.006 0.919 1.00 63.34 H new ATOM 0 HD12 LEU A 104 -9.683 2.303 -0.708 1.00 63.34 H new ATOM 0 HD13 LEU A 104 -8.661 3.738 -0.451 1.00 63.34 H new ATOM 0 HD21 LEU A 104 -10.619 5.151 1.461 1.00 12.23 H new ATOM 0 HD22 LEU A 104 -9.794 5.967 0.112 1.00 12.23 H new ATOM 0 HD23 LEU A 104 -11.569 6.015 0.228 1.00 12.23 H new ATOM 300 N ASP A 105 -13.494 6.193 -1.396 1.00 22.32 N ATOM 301 CA ASP A 105 -14.110 7.506 -1.252 1.00 41.32 C ATOM 302 C ASP A 105 -15.264 7.676 -2.235 1.00 43.41 C ATOM 303 O ASP A 105 -15.738 8.788 -2.466 1.00 62.23 O ATOM 304 CB ASP A 105 -13.070 8.607 -1.473 1.00 34.52 C ATOM 305 CG ASP A 105 -12.870 9.468 -0.241 1.00 22.02 C ATOM 306 OD1 ASP A 105 -12.894 8.917 0.880 1.00 43.13 O ATOM 307 OD2 ASP A 105 -12.688 10.694 -0.398 1.00 53.12 O ATOM 0 H ASP A 105 -13.592 5.590 -0.579 1.00 22.32 H new ATOM 0 HA ASP A 105 -14.504 7.586 -0.239 1.00 41.32 H new ATOM 0 HB2 ASP A 105 -12.119 8.154 -1.755 1.00 34.52 H new ATOM 0 HB3 ASP A 105 -13.383 9.236 -2.306 1.00 34.52 H new ATOM 312 N GLY A 106 -15.711 6.565 -2.814 1.00 21.34 N ATOM 313 CA GLY A 106 -16.805 6.613 -3.766 1.00 12.12 C ATOM 314 C GLY A 106 -16.327 6.827 -5.188 1.00 23.20 C ATOM 315 O GLY A 106 -17.132 6.905 -6.115 1.00 62.53 O ATOM 0 H GLY A 106 -15.335 5.633 -2.640 1.00 21.34 H new ATOM 0 HA2 GLY A 106 -17.370 5.683 -3.712 1.00 12.12 H new ATOM 0 HA3 GLY A 106 -17.487 7.417 -3.490 1.00 12.12 H new ATOM 319 N GLU A 107 -15.012 6.923 -5.360 1.00 53.15 N ATOM 320 CA GLU A 107 -14.428 7.131 -6.680 1.00 74.12 C ATOM 321 C GLU A 107 -13.163 6.297 -6.854 1.00 40.00 C ATOM 322 O GLU A 107 -12.683 5.673 -5.908 1.00 21.13 O ATOM 323 CB GLU A 107 -14.109 8.613 -6.893 1.00 72.24 C ATOM 324 CG GLU A 107 -14.733 9.196 -8.150 1.00 74.42 C ATOM 325 CD GLU A 107 -14.019 10.444 -8.631 1.00 70.32 C ATOM 326 OE1 GLU A 107 -13.516 11.206 -7.779 1.00 60.45 O ATOM 327 OE2 GLU A 107 -13.963 10.658 -9.860 1.00 23.30 O ATOM 0 H GLU A 107 -14.332 6.860 -4.603 1.00 53.15 H new ATOM 0 HA GLU A 107 -15.157 6.812 -7.425 1.00 74.12 H new ATOM 0 HB2 GLU A 107 -14.457 9.179 -6.029 1.00 72.24 H new ATOM 0 HB3 GLU A 107 -13.028 8.740 -6.942 1.00 72.24 H new ATOM 0 HG2 GLU A 107 -14.717 8.446 -8.940 1.00 74.42 H new ATOM 0 HG3 GLU A 107 -15.779 9.433 -7.956 1.00 74.42 H new ATOM 334 N ASP A 108 -12.628 6.291 -8.070 1.00 3.25 N ATOM 335 CA ASP A 108 -11.417 5.534 -8.369 1.00 10.01 C ATOM 336 C ASP A 108 -10.209 6.139 -7.660 1.00 2.24 C ATOM 337 O ASP A 108 -9.528 7.009 -8.204 1.00 24.03 O ATOM 338 CB ASP A 108 -11.173 5.497 -9.878 1.00 3.22 C ATOM 339 CG ASP A 108 -11.834 4.306 -10.543 1.00 1.35 C ATOM 340 OD1 ASP A 108 -11.390 3.167 -10.295 1.00 23.42 O ATOM 341 OD2 ASP A 108 -12.796 4.514 -11.312 1.00 63.34 O ATOM 0 H ASP A 108 -13.013 6.801 -8.865 1.00 3.25 H new ATOM 0 HA ASP A 108 -11.556 4.515 -8.006 1.00 10.01 H new ATOM 0 HB2 ASP A 108 -11.551 6.416 -10.327 1.00 3.22 H new ATOM 0 HB3 ASP A 108 -10.100 5.467 -10.069 1.00 3.22 H new ATOM 346 N LEU A 109 -9.950 5.674 -6.442 1.00 52.45 N ATOM 347 CA LEU A 109 -8.825 6.169 -5.658 1.00 63.22 C ATOM 348 C LEU A 109 -7.511 5.571 -6.153 1.00 1.14 C ATOM 349 O LEU A 109 -7.415 4.366 -6.386 1.00 40.21 O ATOM 350 CB LEU A 109 -9.024 5.838 -4.178 1.00 15.02 C ATOM 351 CG LEU A 109 -8.114 6.577 -3.196 1.00 12.10 C ATOM 352 CD1 LEU A 109 -8.925 7.535 -2.337 1.00 24.05 C ATOM 353 CD2 LEU A 109 -7.354 5.588 -2.325 1.00 71.25 C ATOM 0 H LEU A 109 -10.504 4.955 -5.977 1.00 52.45 H new ATOM 0 HA LEU A 109 -8.778 7.251 -5.778 1.00 63.22 H new ATOM 0 HB2 LEU A 109 -10.060 6.053 -3.914 1.00 15.02 H new ATOM 0 HB3 LEU A 109 -8.876 4.767 -4.043 1.00 15.02 H new ATOM 0 HG LEU A 109 -7.389 7.157 -3.767 1.00 12.10 H new ATOM 0 HD11 LEU A 109 -8.262 8.053 -1.644 1.00 24.05 H new ATOM 0 HD12 LEU A 109 -9.423 8.264 -2.976 1.00 24.05 H new ATOM 0 HD13 LEU A 109 -9.673 6.976 -1.775 1.00 24.05 H new ATOM 0 HD21 LEU A 109 -6.712 6.132 -1.632 1.00 71.25 H new ATOM 0 HD22 LEU A 109 -8.062 4.980 -1.762 1.00 71.25 H new ATOM 0 HD23 LEU A 109 -6.743 4.942 -2.956 1.00 71.25 H new ATOM 365 N ARG A 110 -6.501 6.421 -6.307 1.00 53.33 N ATOM 366 CA ARG A 110 -5.193 5.977 -6.772 1.00 41.21 C ATOM 367 C ARG A 110 -4.157 6.077 -5.657 1.00 3.21 C ATOM 368 O ARG A 110 -3.895 7.160 -5.134 1.00 41.31 O ATOM 369 CB ARG A 110 -4.745 6.809 -7.975 1.00 13.32 C ATOM 370 CG ARG A 110 -3.355 6.457 -8.476 1.00 53.44 C ATOM 371 CD ARG A 110 -3.158 6.886 -9.922 1.00 54.12 C ATOM 372 NE ARG A 110 -4.114 6.241 -10.819 1.00 11.33 N ATOM 373 CZ ARG A 110 -4.039 6.307 -12.143 1.00 60.23 C ATOM 374 NH1 ARG A 110 -3.058 6.985 -12.722 1.00 32.21 N ATOM 375 NH2 ARG A 110 -4.947 5.694 -12.892 1.00 64.45 N ATOM 0 H ARG A 110 -6.564 7.421 -6.116 1.00 53.33 H new ATOM 0 HA ARG A 110 -5.278 4.933 -7.073 1.00 41.21 H new ATOM 0 HB2 ARG A 110 -5.460 6.672 -8.787 1.00 13.32 H new ATOM 0 HB3 ARG A 110 -4.768 7.865 -7.704 1.00 13.32 H new ATOM 0 HG2 ARG A 110 -2.607 6.940 -7.847 1.00 53.44 H new ATOM 0 HG3 ARG A 110 -3.198 5.382 -8.390 1.00 53.44 H new ATOM 0 HD2 ARG A 110 -3.264 7.968 -9.997 1.00 54.12 H new ATOM 0 HD3 ARG A 110 -2.143 6.642 -10.237 1.00 54.12 H new ATOM 0 HE ARG A 110 -4.881 5.711 -10.405 1.00 11.33 H new ATOM 0 HH11 ARG A 110 -2.358 7.458 -12.150 1.00 32.21 H new ATOM 0 HH12 ARG A 110 -3.003 7.034 -13.739 1.00 32.21 H new ATOM 0 HH21 ARG A 110 -5.704 5.171 -12.451 1.00 64.45 H new ATOM 0 HH22 ARG A 110 -4.888 5.746 -13.909 1.00 64.45 H new ATOM 389 N VAL A 111 -3.570 4.939 -5.297 1.00 4.03 N ATOM 390 CA VAL A 111 -2.562 4.898 -4.245 1.00 13.54 C ATOM 391 C VAL A 111 -1.165 4.721 -4.828 1.00 45.23 C ATOM 392 O VAL A 111 -0.983 4.034 -5.834 1.00 11.21 O ATOM 393 CB VAL A 111 -2.838 3.759 -3.247 1.00 73.50 C ATOM 394 CG1 VAL A 111 -2.609 4.230 -1.819 1.00 43.44 C ATOM 395 CG2 VAL A 111 -4.254 3.230 -3.421 1.00 31.01 C ATOM 0 H VAL A 111 -3.776 4.034 -5.719 1.00 4.03 H new ATOM 0 HA VAL A 111 -2.615 5.852 -3.720 1.00 13.54 H new ATOM 0 HB VAL A 111 -2.142 2.946 -3.451 1.00 73.50 H new ATOM 0 HG11 VAL A 111 -2.809 3.410 -1.129 1.00 43.44 H new ATOM 0 HG12 VAL A 111 -1.575 4.556 -1.705 1.00 43.44 H new ATOM 0 HG13 VAL A 111 -3.278 5.062 -1.598 1.00 43.44 H new ATOM 0 HG21 VAL A 111 -4.432 2.425 -2.708 1.00 31.01 H new ATOM 0 HG22 VAL A 111 -4.967 4.035 -3.245 1.00 31.01 H new ATOM 0 HG23 VAL A 111 -4.378 2.850 -4.435 1.00 31.01 H new ATOM 405 N VAL A 112 -0.179 5.344 -4.191 1.00 1.13 N ATOM 406 CA VAL A 112 1.204 5.254 -4.645 1.00 33.21 C ATOM 407 C VAL A 112 2.149 4.987 -3.479 1.00 11.12 C ATOM 408 O VAL A 112 1.942 5.485 -2.371 1.00 61.42 O ATOM 409 CB VAL A 112 1.643 6.543 -5.365 1.00 31.44 C ATOM 410 CG1 VAL A 112 3.102 6.448 -5.786 1.00 32.24 C ATOM 411 CG2 VAL A 112 0.749 6.813 -6.566 1.00 2.01 C ATOM 0 H VAL A 112 -0.312 5.917 -3.358 1.00 1.13 H new ATOM 0 HA VAL A 112 1.254 4.421 -5.346 1.00 33.21 H new ATOM 0 HB VAL A 112 1.543 7.378 -4.672 1.00 31.44 H new ATOM 0 HG11 VAL A 112 3.395 7.367 -6.293 1.00 32.24 H new ATOM 0 HG12 VAL A 112 3.727 6.305 -4.904 1.00 32.24 H new ATOM 0 HG13 VAL A 112 3.231 5.603 -6.463 1.00 32.24 H new ATOM 0 HG21 VAL A 112 1.073 7.727 -7.063 1.00 2.01 H new ATOM 0 HG22 VAL A 112 0.815 5.978 -7.264 1.00 2.01 H new ATOM 0 HG23 VAL A 112 -0.283 6.927 -6.233 1.00 2.01 H new ATOM 421 N LEU A 113 3.188 4.200 -3.735 1.00 75.21 N ATOM 422 CA LEU A 113 4.168 3.867 -2.707 1.00 53.23 C ATOM 423 C LEU A 113 5.588 4.071 -3.222 1.00 44.34 C ATOM 424 O LEU A 113 6.118 3.236 -3.956 1.00 23.24 O ATOM 425 CB LEU A 113 3.982 2.421 -2.247 1.00 74.24 C ATOM 426 CG LEU A 113 5.076 1.860 -1.338 1.00 21.55 C ATOM 427 CD1 LEU A 113 5.537 2.915 -0.345 1.00 4.00 C ATOM 428 CD2 LEU A 113 4.579 0.620 -0.609 1.00 33.32 C ATOM 0 H LEU A 113 3.374 3.780 -4.646 1.00 75.21 H new ATOM 0 HA LEU A 113 4.010 4.534 -1.860 1.00 53.23 H new ATOM 0 HB2 LEU A 113 3.029 2.347 -1.723 1.00 74.24 H new ATOM 0 HB3 LEU A 113 3.910 1.786 -3.130 1.00 74.24 H new ATOM 0 HG LEU A 113 5.927 1.577 -1.957 1.00 21.55 H new ATOM 0 HD11 LEU A 113 6.316 2.498 0.294 1.00 4.00 H new ATOM 0 HD12 LEU A 113 5.933 3.775 -0.885 1.00 4.00 H new ATOM 0 HD13 LEU A 113 4.693 3.229 0.270 1.00 4.00 H new ATOM 0 HD21 LEU A 113 5.370 0.234 0.033 1.00 33.32 H new ATOM 0 HD22 LEU A 113 3.712 0.878 -0.001 1.00 33.32 H new ATOM 0 HD23 LEU A 113 4.298 -0.142 -1.336 1.00 33.32 H new ATOM 440 N GLU A 114 6.201 5.184 -2.832 1.00 14.22 N ATOM 441 CA GLU A 114 7.561 5.496 -3.254 1.00 42.44 C ATOM 442 C GLU A 114 8.572 4.616 -2.525 1.00 13.41 C ATOM 443 O GLU A 114 8.516 4.468 -1.304 1.00 21.51 O ATOM 444 CB GLU A 114 7.874 6.971 -2.997 1.00 12.22 C ATOM 445 CG GLU A 114 8.232 7.746 -4.254 1.00 72.45 C ATOM 446 CD GLU A 114 7.535 9.090 -4.330 1.00 33.11 C ATOM 447 OE1 GLU A 114 6.332 9.154 -4.002 1.00 21.42 O ATOM 448 OE2 GLU A 114 8.192 10.079 -4.718 1.00 30.44 O ATOM 0 H GLU A 114 5.777 5.885 -2.224 1.00 14.22 H new ATOM 0 HA GLU A 114 7.636 5.298 -4.323 1.00 42.44 H new ATOM 0 HB2 GLU A 114 7.011 7.440 -2.525 1.00 12.22 H new ATOM 0 HB3 GLU A 114 8.701 7.040 -2.290 1.00 12.22 H new ATOM 0 HG2 GLU A 114 9.311 7.898 -4.287 1.00 72.45 H new ATOM 0 HG3 GLU A 114 7.966 7.153 -5.129 1.00 72.45 H new ATOM 455 N LYS A 115 9.496 4.033 -3.282 1.00 2.44 N ATOM 456 CA LYS A 115 10.520 3.169 -2.710 1.00 24.53 C ATOM 457 C LYS A 115 11.565 3.987 -1.957 1.00 11.34 C ATOM 458 O LYS A 115 12.331 3.449 -1.157 1.00 51.05 O ATOM 459 CB LYS A 115 11.197 2.348 -3.810 1.00 50.11 C ATOM 460 CG LYS A 115 11.322 0.871 -3.477 1.00 54.33 C ATOM 461 CD LYS A 115 12.702 0.535 -2.939 1.00 4.15 C ATOM 462 CE LYS A 115 13.755 0.585 -4.035 1.00 70.52 C ATOM 463 NZ LYS A 115 14.403 -0.741 -4.241 1.00 42.12 N ATOM 0 H LYS A 115 9.556 4.144 -4.294 1.00 2.44 H new ATOM 0 HA LYS A 115 10.036 2.493 -2.005 1.00 24.53 H new ATOM 0 HB2 LYS A 115 10.630 2.457 -4.734 1.00 50.11 H new ATOM 0 HB3 LYS A 115 12.191 2.755 -3.996 1.00 50.11 H new ATOM 0 HG2 LYS A 115 10.567 0.598 -2.740 1.00 54.33 H new ATOM 0 HG3 LYS A 115 11.124 0.278 -4.370 1.00 54.33 H new ATOM 0 HD2 LYS A 115 12.966 1.236 -2.147 1.00 4.15 H new ATOM 0 HD3 LYS A 115 12.687 -0.459 -2.492 1.00 4.15 H new ATOM 0 HE2 LYS A 115 13.294 0.913 -4.967 1.00 70.52 H new ATOM 0 HE3 LYS A 115 14.513 1.324 -3.777 1.00 70.52 H new ATOM 0 HZ1 LYS A 115 15.115 -0.666 -4.996 1.00 42.12 H new ATOM 0 HZ2 LYS A 115 14.864 -1.043 -3.359 1.00 42.12 H new ATOM 0 HZ3 LYS A 115 13.683 -1.441 -4.512 1.00 42.12 H new ATOM 477 N ASP A 116 11.590 5.290 -2.217 1.00 73.32 N ATOM 478 CA ASP A 116 12.539 6.183 -1.562 1.00 74.30 C ATOM 479 C ASP A 116 12.475 6.025 -0.046 1.00 4.44 C ATOM 480 O ASP A 116 13.484 5.748 0.604 1.00 42.34 O ATOM 481 CB ASP A 116 12.255 7.635 -1.948 1.00 52.13 C ATOM 482 CG ASP A 116 13.520 8.463 -2.057 1.00 21.31 C ATOM 483 OD1 ASP A 116 14.170 8.418 -3.122 1.00 55.23 O ATOM 484 OD2 ASP A 116 13.862 9.155 -1.074 1.00 45.44 O ATOM 0 H ASP A 116 10.964 5.751 -2.877 1.00 73.32 H new ATOM 0 HA ASP A 116 13.542 5.916 -1.896 1.00 74.30 H new ATOM 0 HB2 ASP A 116 11.726 7.658 -2.901 1.00 52.13 H new ATOM 0 HB3 ASP A 116 11.594 8.083 -1.206 1.00 52.13 H new ATOM 489 N THR A 117 11.283 6.204 0.513 1.00 1.22 N ATOM 490 CA THR A 117 11.088 6.085 1.953 1.00 51.40 C ATOM 491 C THR A 117 9.860 5.240 2.273 1.00 1.15 C ATOM 492 O THR A 117 9.348 5.273 3.392 1.00 72.22 O ATOM 493 CB THR A 117 10.933 7.467 2.615 1.00 23.32 C ATOM 494 OG1 THR A 117 10.819 8.482 1.612 1.00 74.12 O ATOM 495 CG2 THR A 117 12.121 7.771 3.517 1.00 74.20 C ATOM 0 H THR A 117 10.437 6.432 -0.010 1.00 1.22 H new ATOM 0 HA THR A 117 11.976 5.597 2.353 1.00 51.40 H new ATOM 0 HB THR A 117 10.028 7.454 3.222 1.00 23.32 H new ATOM 0 HG1 THR A 117 10.719 9.357 2.042 1.00 74.12 H new ATOM 0 HG21 THR A 117 11.990 8.752 3.974 1.00 74.20 H new ATOM 0 HG22 THR A 117 12.188 7.013 4.298 1.00 74.20 H new ATOM 0 HG23 THR A 117 13.037 7.766 2.926 1.00 74.20 H new ATOM 503 N MET A 118 9.394 4.484 1.285 1.00 62.35 N ATOM 504 CA MET A 118 8.226 3.628 1.463 1.00 24.11 C ATOM 505 C MET A 118 7.013 4.446 1.893 1.00 44.43 C ATOM 506 O MET A 118 6.138 3.950 2.603 1.00 41.34 O ATOM 507 CB MET A 118 8.517 2.542 2.501 1.00 45.01 C ATOM 508 CG MET A 118 9.305 1.366 1.946 1.00 35.13 C ATOM 509 SD MET A 118 9.974 0.305 3.242 1.00 45.54 S ATOM 510 CE MET A 118 8.471 -0.210 4.068 1.00 4.31 C ATOM 0 H MET A 118 9.807 4.446 0.353 1.00 62.35 H new ATOM 0 HA MET A 118 8.003 3.156 0.506 1.00 24.11 H new ATOM 0 HB2 MET A 118 9.072 2.982 3.329 1.00 45.01 H new ATOM 0 HB3 MET A 118 7.574 2.177 2.907 1.00 45.01 H new ATOM 0 HG2 MET A 118 8.660 0.776 1.296 1.00 35.13 H new ATOM 0 HG3 MET A 118 10.123 1.740 1.330 1.00 35.13 H new ATOM 0 HE1 MET A 118 8.700 -1.005 4.777 1.00 4.31 H new ATOM 0 HE2 MET A 118 8.040 0.638 4.600 1.00 4.31 H new ATOM 0 HE3 MET A 118 7.757 -0.576 3.330 1.00 4.31 H new ATOM 520 N ASP A 119 6.968 5.701 1.459 1.00 31.22 N ATOM 521 CA ASP A 119 5.861 6.588 1.798 1.00 2.41 C ATOM 522 C ASP A 119 4.636 6.280 0.944 1.00 43.23 C ATOM 523 O ASP A 119 4.757 5.951 -0.237 1.00 34.43 O ATOM 524 CB ASP A 119 6.275 8.049 1.612 1.00 72.15 C ATOM 525 CG ASP A 119 6.547 8.392 0.160 1.00 45.32 C ATOM 526 OD1 ASP A 119 5.579 8.691 -0.571 1.00 45.22 O ATOM 527 OD2 ASP A 119 7.728 8.362 -0.245 1.00 31.23 O ATOM 0 H ASP A 119 7.685 6.127 0.872 1.00 31.22 H new ATOM 0 HA ASP A 119 5.602 6.422 2.844 1.00 2.41 H new ATOM 0 HB2 ASP A 119 5.488 8.699 1.995 1.00 72.15 H new ATOM 0 HB3 ASP A 119 7.169 8.249 2.203 1.00 72.15 H new ATOM 532 N VAL A 120 3.457 6.386 1.548 1.00 11.52 N ATOM 533 CA VAL A 120 2.209 6.120 0.843 1.00 62.42 C ATOM 534 C VAL A 120 1.481 7.415 0.503 1.00 60.51 C ATOM 535 O VAL A 120 1.254 8.257 1.373 1.00 74.51 O ATOM 536 CB VAL A 120 1.275 5.221 1.674 1.00 2.25 C ATOM 537 CG1 VAL A 120 0.091 4.760 0.838 1.00 50.10 C ATOM 538 CG2 VAL A 120 2.040 4.030 2.232 1.00 32.30 C ATOM 0 H VAL A 120 3.340 6.655 2.525 1.00 11.52 H new ATOM 0 HA VAL A 120 2.472 5.603 -0.080 1.00 62.42 H new ATOM 0 HB VAL A 120 0.891 5.803 2.512 1.00 2.25 H new ATOM 0 HG11 VAL A 120 -0.557 4.126 1.443 1.00 50.10 H new ATOM 0 HG12 VAL A 120 -0.471 5.628 0.493 1.00 50.10 H new ATOM 0 HG13 VAL A 120 0.451 4.195 -0.022 1.00 50.10 H new ATOM 0 HG21 VAL A 120 1.365 3.405 2.817 1.00 32.30 H new ATOM 0 HG22 VAL A 120 2.454 3.446 1.410 1.00 32.30 H new ATOM 0 HG23 VAL A 120 2.850 4.384 2.870 1.00 32.30 H new ATOM 548 N TRP A 121 1.117 7.568 -0.764 1.00 63.13 N ATOM 549 CA TRP A 121 0.413 8.762 -1.219 1.00 13.30 C ATOM 550 C TRP A 121 -0.947 8.401 -1.805 1.00 14.23 C ATOM 551 O TRP A 121 -1.032 7.736 -2.838 1.00 24.01 O ATOM 552 CB TRP A 121 1.250 9.507 -2.259 1.00 10.41 C ATOM 553 CG TRP A 121 0.885 10.956 -2.388 1.00 73.11 C ATOM 554 CD1 TRP A 121 0.357 11.757 -1.417 1.00 1.32 C ATOM 555 CD2 TRP A 121 1.019 11.772 -3.557 1.00 0.21 C ATOM 556 NE1 TRP A 121 0.156 13.023 -1.911 1.00 1.21 N ATOM 557 CE2 TRP A 121 0.555 13.059 -3.221 1.00 51.12 C ATOM 558 CE3 TRP A 121 1.490 11.542 -4.853 1.00 15.24 C ATOM 559 CZ2 TRP A 121 0.545 14.109 -4.136 1.00 63.43 C ATOM 560 CZ3 TRP A 121 1.479 12.586 -5.759 1.00 72.44 C ATOM 561 CH2 TRP A 121 1.011 13.856 -5.398 1.00 62.42 C ATOM 0 H TRP A 121 1.297 6.880 -1.496 1.00 63.13 H new ATOM 0 HA TRP A 121 0.255 9.412 -0.358 1.00 13.30 H new ATOM 0 HB2 TRP A 121 2.304 9.427 -1.992 1.00 10.41 H new ATOM 0 HB3 TRP A 121 1.129 9.022 -3.227 1.00 10.41 H new ATOM 0 HD1 TRP A 121 0.131 11.442 -0.409 1.00 1.32 H new ATOM 0 HE1 TRP A 121 -0.228 13.809 -1.387 1.00 1.21 H new ATOM 0 HE3 TRP A 121 1.855 10.567 -5.141 1.00 15.24 H new ATOM 0 HZ2 TRP A 121 0.182 15.088 -3.860 1.00 63.43 H new ATOM 0 HZ3 TRP A 121 1.838 12.419 -6.764 1.00 72.44 H new ATOM 0 HH2 TRP A 121 1.018 14.651 -6.129 1.00 62.42 H new ATOM 572 N CYS A 122 -2.009 8.845 -1.142 1.00 14.13 N ATOM 573 CA CYS A 122 -3.367 8.569 -1.598 1.00 40.53 C ATOM 574 C CYS A 122 -3.956 9.779 -2.317 1.00 61.51 C ATOM 575 O CYS A 122 -4.366 10.750 -1.683 1.00 73.35 O ATOM 576 CB CYS A 122 -4.255 8.180 -0.416 1.00 10.42 C ATOM 577 SG CYS A 122 -6.028 8.297 -0.755 1.00 21.05 S ATOM 0 H CYS A 122 -1.956 9.398 -0.286 1.00 14.13 H new ATOM 0 HA CYS A 122 -3.326 7.737 -2.301 1.00 40.53 H new ATOM 0 HB2 CYS A 122 -4.019 7.158 -0.119 1.00 10.42 H new ATOM 0 HB3 CYS A 122 -4.015 8.822 0.432 1.00 10.42 H new ATOM 0 HG CYS A 122 -6.696 7.946 0.303 1.00 21.05 H new ATOM 583 N ASN A 123 -3.992 9.711 -3.644 1.00 13.52 N ATOM 584 CA ASN A 123 -4.529 10.803 -4.449 1.00 12.21 C ATOM 585 C ASN A 123 -3.633 12.034 -4.364 1.00 20.30 C ATOM 586 O ASN A 123 -2.882 12.334 -5.291 1.00 60.31 O ATOM 587 CB ASN A 123 -5.945 11.156 -3.988 1.00 44.41 C ATOM 588 CG ASN A 123 -6.996 10.796 -5.021 1.00 3.21 C ATOM 589 OD1 ASN A 123 -6.770 10.926 -6.224 1.00 31.42 O ATOM 590 ND2 ASN A 123 -8.153 10.341 -4.553 1.00 0.22 N ATOM 0 H ASN A 123 -3.657 8.913 -4.184 1.00 13.52 H new ATOM 0 HA ASN A 123 -4.564 10.472 -5.487 1.00 12.21 H new ATOM 0 HB2 ASN A 123 -6.162 10.634 -3.056 1.00 44.41 H new ATOM 0 HB3 ASN A 123 -5.999 12.224 -3.775 1.00 44.41 H new ATOM 0 HD21 ASN A 123 -8.899 10.083 -5.199 1.00 0.22 H new ATOM 0 HD22 ASN A 123 -8.296 10.250 -3.547 1.00 0.22 H new ATOM 597 N GLY A 124 -3.716 12.744 -3.242 1.00 53.13 N ATOM 598 CA GLY A 124 -2.907 13.935 -3.056 1.00 60.43 C ATOM 599 C GLY A 124 -2.750 14.306 -1.595 1.00 54.33 C ATOM 600 O GLY A 124 -2.899 15.471 -1.226 1.00 30.54 O ATOM 0 H GLY A 124 -4.329 12.516 -2.459 1.00 53.13 H new ATOM 0 HA2 GLY A 124 -1.922 13.774 -3.495 1.00 60.43 H new ATOM 0 HA3 GLY A 124 -3.363 14.767 -3.592 1.00 60.43 H new ATOM 604 N GLN A 125 -2.453 13.314 -0.762 1.00 3.03 N ATOM 605 CA GLN A 125 -2.279 13.544 0.668 1.00 61.34 C ATOM 606 C GLN A 125 -1.341 12.506 1.275 1.00 70.12 C ATOM 607 O GLN A 125 -1.659 11.317 1.322 1.00 44.40 O ATOM 608 CB GLN A 125 -3.632 13.505 1.380 1.00 64.34 C ATOM 609 CG GLN A 125 -3.976 14.797 2.102 1.00 35.44 C ATOM 610 CD GLN A 125 -5.148 14.641 3.051 1.00 74.22 C ATOM 611 OE1 GLN A 125 -5.014 14.836 4.258 1.00 34.34 O ATOM 612 NE2 GLN A 125 -6.307 14.287 2.507 1.00 64.01 N ATOM 0 H GLN A 125 -2.328 12.344 -1.052 1.00 3.03 H new ATOM 0 HA GLN A 125 -1.835 14.530 0.801 1.00 61.34 H new ATOM 0 HB2 GLN A 125 -4.412 13.288 0.650 1.00 64.34 H new ATOM 0 HB3 GLN A 125 -3.632 12.686 2.099 1.00 64.34 H new ATOM 0 HG2 GLN A 125 -3.105 15.140 2.660 1.00 35.44 H new ATOM 0 HG3 GLN A 125 -4.208 15.568 1.368 1.00 35.44 H new ATOM 0 HE21 GLN A 125 -6.373 14.136 1.500 1.00 64.01 H new ATOM 0 HE22 GLN A 125 -7.131 14.167 3.096 1.00 64.01 H new ATOM 621 N LYS A 126 -0.182 12.963 1.740 1.00 72.00 N ATOM 622 CA LYS A 126 0.803 12.075 2.346 1.00 61.13 C ATOM 623 C LYS A 126 0.175 11.249 3.465 1.00 1.25 C ATOM 624 O LYS A 126 -0.029 11.744 4.574 1.00 62.21 O ATOM 625 CB LYS A 126 1.980 12.885 2.893 1.00 23.22 C ATOM 626 CG LYS A 126 3.329 12.430 2.364 1.00 30.23 C ATOM 627 CD LYS A 126 4.053 13.553 1.642 1.00 13.51 C ATOM 628 CE LYS A 126 3.405 13.864 0.302 1.00 71.31 C ATOM 629 NZ LYS A 126 4.407 14.292 -0.713 1.00 61.25 N ATOM 0 H LYS A 126 0.098 13.943 1.708 1.00 72.00 H new ATOM 0 HA LYS A 126 1.165 11.394 1.576 1.00 61.13 H new ATOM 0 HB2 LYS A 126 1.836 13.936 2.641 1.00 23.22 H new ATOM 0 HB3 LYS A 126 1.984 12.816 3.981 1.00 23.22 H new ATOM 0 HG2 LYS A 126 3.943 12.073 3.191 1.00 30.23 H new ATOM 0 HG3 LYS A 126 3.189 11.590 1.684 1.00 30.23 H new ATOM 0 HD2 LYS A 126 4.051 14.448 2.265 1.00 13.51 H new ATOM 0 HD3 LYS A 126 5.095 13.275 1.487 1.00 13.51 H new ATOM 0 HE2 LYS A 126 2.876 12.982 -0.059 1.00 71.31 H new ATOM 0 HE3 LYS A 126 2.661 14.650 0.432 1.00 71.31 H new ATOM 0 HZ1 LYS A 126 3.925 14.495 -1.612 1.00 61.25 H new ATOM 0 HZ2 LYS A 126 4.894 15.149 -0.380 1.00 61.25 H new ATOM 0 HZ3 LYS A 126 5.102 13.532 -0.856 1.00 61.25 H new ATOM 643 N MET A 127 -0.126 9.990 3.167 1.00 31.53 N ATOM 644 CA MET A 127 -0.727 9.096 4.150 1.00 14.24 C ATOM 645 C MET A 127 0.192 8.915 5.355 1.00 10.34 C ATOM 646 O MET A 127 1.402 9.118 5.259 1.00 14.41 O ATOM 647 CB MET A 127 -1.030 7.736 3.517 1.00 11.23 C ATOM 648 CG MET A 127 -2.227 7.756 2.580 1.00 13.14 C ATOM 649 SD MET A 127 -2.745 6.104 2.081 1.00 61.42 S ATOM 650 CE MET A 127 -3.096 5.362 3.674 1.00 42.43 C ATOM 0 H MET A 127 0.036 9.566 2.254 1.00 31.53 H new ATOM 0 HA MET A 127 -1.659 9.546 4.491 1.00 14.24 H new ATOM 0 HB2 MET A 127 -0.153 7.397 2.966 1.00 11.23 H new ATOM 0 HB3 MET A 127 -1.210 7.008 4.308 1.00 11.23 H new ATOM 0 HG2 MET A 127 -3.059 8.261 3.071 1.00 13.14 H new ATOM 0 HG3 MET A 127 -1.979 8.338 1.693 1.00 13.14 H new ATOM 0 HE1 MET A 127 -3.816 4.553 3.548 1.00 42.43 H new ATOM 0 HE2 MET A 127 -2.175 4.965 4.101 1.00 42.43 H new ATOM 0 HE3 MET A 127 -3.511 6.116 4.343 1.00 42.43 H new ATOM 660 N GLU A 128 -0.391 8.533 6.487 1.00 54.32 N ATOM 661 CA GLU A 128 0.376 8.327 7.709 1.00 72.41 C ATOM 662 C GLU A 128 0.592 6.839 7.971 1.00 20.34 C ATOM 663 O GLU A 128 -0.332 6.125 8.363 1.00 72.34 O ATOM 664 CB GLU A 128 -0.338 8.967 8.901 1.00 42.55 C ATOM 665 CG GLU A 128 0.507 9.994 9.637 1.00 43.31 C ATOM 666 CD GLU A 128 0.288 9.962 11.137 1.00 45.52 C ATOM 667 OE1 GLU A 128 0.579 8.917 11.756 1.00 53.12 O ATOM 668 OE2 GLU A 128 -0.173 10.982 11.691 1.00 31.54 O ATOM 0 H GLU A 128 -1.392 8.360 6.583 1.00 54.32 H new ATOM 0 HA GLU A 128 1.349 8.801 7.581 1.00 72.41 H new ATOM 0 HB2 GLU A 128 -1.253 9.445 8.552 1.00 42.55 H new ATOM 0 HB3 GLU A 128 -0.634 8.184 9.600 1.00 42.55 H new ATOM 0 HG2 GLU A 128 1.560 9.813 9.423 1.00 43.31 H new ATOM 0 HG3 GLU A 128 0.272 10.990 9.260 1.00 43.31 H new ATOM 675 N THR A 129 1.819 6.377 7.753 1.00 30.33 N ATOM 676 CA THR A 129 2.157 4.975 7.963 1.00 2.13 C ATOM 677 C THR A 129 2.829 4.769 9.315 1.00 24.44 C ATOM 678 O THR A 129 2.964 5.706 10.102 1.00 45.20 O ATOM 679 CB THR A 129 3.087 4.449 6.854 1.00 22.42 C ATOM 680 OG1 THR A 129 4.417 4.939 7.057 1.00 34.42 O ATOM 681 CG2 THR A 129 2.587 4.874 5.482 1.00 43.31 C ATOM 0 H THR A 129 2.596 6.954 7.431 1.00 30.33 H new ATOM 0 HA THR A 129 1.221 4.417 7.937 1.00 2.13 H new ATOM 0 HB THR A 129 3.091 3.360 6.899 1.00 22.42 H new ATOM 0 HG1 THR A 129 5.003 4.599 6.349 1.00 34.42 H new ATOM 0 HG21 THR A 129 3.260 4.491 4.715 1.00 43.31 H new ATOM 0 HG22 THR A 129 1.586 4.474 5.320 1.00 43.31 H new ATOM 0 HG23 THR A 129 2.556 5.962 5.427 1.00 43.31 H new ATOM 689 N ALA A 130 3.251 3.536 9.581 1.00 50.23 N ATOM 690 CA ALA A 130 3.912 3.208 10.837 1.00 31.21 C ATOM 691 C ALA A 130 5.374 2.840 10.608 1.00 33.11 C ATOM 692 O ALA A 130 6.275 3.629 10.892 1.00 55.03 O ATOM 693 CB ALA A 130 3.182 2.070 11.536 1.00 45.11 C ATOM 0 H ALA A 130 3.146 2.748 8.942 1.00 50.23 H new ATOM 0 HA ALA A 130 3.883 4.091 11.476 1.00 31.21 H new ATOM 0 HB1 ALA A 130 3.687 1.835 12.473 1.00 45.11 H new ATOM 0 HB2 ALA A 130 2.154 2.369 11.742 1.00 45.11 H new ATOM 0 HB3 ALA A 130 3.181 1.189 10.894 1.00 45.11 H new ATOM 699 N GLY A 131 5.603 1.636 10.092 1.00 31.32 N ATOM 700 CA GLY A 131 6.958 1.185 9.835 1.00 64.13 C ATOM 701 C GLY A 131 7.437 0.173 10.858 1.00 41.34 C ATOM 702 O GLY A 131 8.071 0.536 11.848 1.00 73.04 O ATOM 0 H GLY A 131 4.874 0.965 9.848 1.00 31.32 H new ATOM 0 HA2 GLY A 131 7.008 0.742 8.840 1.00 64.13 H new ATOM 0 HA3 GLY A 131 7.630 2.044 9.836 1.00 64.13 H new ATOM 706 N GLU A 132 7.131 -1.098 10.618 1.00 54.33 N ATOM 707 CA GLU A 132 7.533 -2.164 11.528 1.00 21.04 C ATOM 708 C GLU A 132 7.794 -3.460 10.767 1.00 73.34 C ATOM 709 O GLU A 132 6.992 -3.873 9.929 1.00 23.03 O ATOM 710 CB GLU A 132 6.455 -2.392 12.590 1.00 14.40 C ATOM 711 CG GLU A 132 7.011 -2.614 13.986 1.00 43.24 C ATOM 712 CD GLU A 132 5.926 -2.860 15.016 1.00 51.41 C ATOM 713 OE1 GLU A 132 5.503 -4.025 15.166 1.00 24.22 O ATOM 714 OE2 GLU A 132 5.499 -1.885 15.670 1.00 41.00 O ATOM 0 H GLU A 132 6.607 -1.414 9.802 1.00 54.33 H new ATOM 0 HA GLU A 132 8.457 -1.858 12.018 1.00 21.04 H new ATOM 0 HB2 GLU A 132 5.787 -1.531 12.607 1.00 14.40 H new ATOM 0 HB3 GLU A 132 5.854 -3.256 12.306 1.00 14.40 H new ATOM 0 HG2 GLU A 132 7.691 -3.466 13.970 1.00 43.24 H new ATOM 0 HG3 GLU A 132 7.597 -1.744 14.282 1.00 43.24 H new ATOM 781 N GLY A 137 8.073 -8.905 5.598 1.00 54.01 N ATOM 782 CA GLY A 137 8.761 -7.655 5.335 1.00 41.13 C ATOM 783 C GLY A 137 8.441 -6.589 6.362 1.00 2.12 C ATOM 784 O GLY A 137 8.967 -6.611 7.476 1.00 13.21 O ATOM 0 HA2 GLY A 137 9.837 -7.832 5.323 1.00 41.13 H new ATOM 0 HA3 GLY A 137 8.486 -7.294 4.344 1.00 41.13 H new ATOM 788 N THR A 138 7.578 -5.649 5.990 1.00 63.21 N ATOM 789 CA THR A 138 7.191 -4.567 6.886 1.00 63.53 C ATOM 790 C THR A 138 5.687 -4.322 6.835 1.00 71.20 C ATOM 791 O THR A 138 5.105 -4.201 5.757 1.00 4.01 O ATOM 792 CB THR A 138 7.925 -3.259 6.537 1.00 22.12 C ATOM 793 OG1 THR A 138 8.918 -3.506 5.537 1.00 44.44 O ATOM 794 CG2 THR A 138 8.580 -2.660 7.773 1.00 4.25 C ATOM 0 H THR A 138 7.133 -5.616 5.073 1.00 63.21 H new ATOM 0 HA THR A 138 7.472 -4.875 7.893 1.00 63.53 H new ATOM 0 HB THR A 138 7.193 -2.549 6.153 1.00 22.12 H new ATOM 0 HG1 THR A 138 9.603 -2.807 5.577 1.00 44.44 H new ATOM 0 HG21 THR A 138 9.092 -1.737 7.502 1.00 4.25 H new ATOM 0 HG22 THR A 138 7.817 -2.445 8.521 1.00 4.25 H new ATOM 0 HG23 THR A 138 9.300 -3.368 8.182 1.00 4.25 H new ATOM 802 N GLU A 139 5.064 -4.250 8.007 1.00 55.33 N ATOM 803 CA GLU A 139 3.627 -4.020 8.094 1.00 40.42 C ATOM 804 C GLU A 139 3.319 -2.527 8.179 1.00 40.13 C ATOM 805 O GLU A 139 3.386 -1.926 9.252 1.00 64.21 O ATOM 806 CB GLU A 139 3.045 -4.740 9.312 1.00 73.22 C ATOM 807 CG GLU A 139 2.112 -5.885 8.952 1.00 30.23 C ATOM 808 CD GLU A 139 0.943 -6.006 9.910 1.00 73.53 C ATOM 809 OE1 GLU A 139 1.183 -6.074 11.133 1.00 15.33 O ATOM 810 OE2 GLU A 139 -0.212 -6.035 9.435 1.00 13.01 O ATOM 0 H GLU A 139 5.531 -4.348 8.908 1.00 55.33 H new ATOM 0 HA GLU A 139 3.167 -4.419 7.190 1.00 40.42 H new ATOM 0 HB2 GLU A 139 3.863 -5.126 9.921 1.00 73.22 H new ATOM 0 HB3 GLU A 139 2.503 -4.020 9.925 1.00 73.22 H new ATOM 0 HG2 GLU A 139 1.734 -5.737 7.940 1.00 30.23 H new ATOM 0 HG3 GLU A 139 2.673 -6.819 8.949 1.00 30.23 H new ATOM 817 N THR A 140 2.982 -1.933 7.038 1.00 64.11 N ATOM 818 CA THR A 140 2.666 -0.510 6.981 1.00 65.53 C ATOM 819 C THR A 140 1.263 -0.238 7.508 1.00 53.34 C ATOM 820 O THR A 140 0.270 -0.605 6.877 1.00 74.14 O ATOM 821 CB THR A 140 2.778 0.032 5.544 1.00 73.32 C ATOM 822 OG1 THR A 140 3.303 -0.979 4.677 1.00 61.54 O ATOM 823 CG2 THR A 140 3.674 1.261 5.497 1.00 15.22 C ATOM 0 H THR A 140 2.921 -2.415 6.141 1.00 64.11 H new ATOM 0 HA THR A 140 3.393 0.002 7.612 1.00 65.53 H new ATOM 0 HB THR A 140 1.780 0.315 5.209 1.00 73.32 H new ATOM 0 HG1 THR A 140 2.584 -1.591 4.415 1.00 61.54 H new ATOM 0 HG21 THR A 140 3.738 1.626 4.472 1.00 15.22 H new ATOM 0 HG22 THR A 140 3.256 2.040 6.134 1.00 15.22 H new ATOM 0 HG23 THR A 140 4.671 0.998 5.851 1.00 15.22 H new ATOM 831 N HIS A 141 1.185 0.408 8.666 1.00 23.34 N ATOM 832 CA HIS A 141 -0.099 0.731 9.278 1.00 50.31 C ATOM 833 C HIS A 141 -0.491 2.177 8.988 1.00 44.44 C ATOM 834 O HIS A 141 0.140 3.113 9.480 1.00 63.02 O ATOM 835 CB HIS A 141 -0.042 0.500 10.788 1.00 43.02 C ATOM 836 CG HIS A 141 0.266 -0.917 11.166 1.00 52.53 C ATOM 837 ND1 HIS A 141 -0.709 -1.870 11.370 1.00 34.14 N ATOM 838 CD2 HIS A 141 1.449 -1.541 11.373 1.00 32.14 C ATOM 839 CE1 HIS A 141 -0.140 -3.018 11.690 1.00 0.34 C ATOM 840 NE2 HIS A 141 1.170 -2.845 11.698 1.00 62.44 N ATOM 0 H HIS A 141 1.996 0.719 9.200 1.00 23.34 H new ATOM 0 HA HIS A 141 -0.854 0.074 8.846 1.00 50.31 H new ATOM 0 HB2 HIS A 141 0.715 1.155 11.219 1.00 43.02 H new ATOM 0 HB3 HIS A 141 -0.998 0.785 11.227 1.00 43.02 H new ATOM 0 HD1 HIS A 141 -1.713 -1.713 11.287 1.00 34.14 H new ATOM 0 HD2 HIS A 141 2.430 -1.096 11.297 1.00 32.14 H new ATOM 0 HE1 HIS A 141 -0.657 -3.941 11.908 1.00 0.34 H new ATOM 848 N PHE A 142 -1.534 2.352 8.184 1.00 54.21 N ATOM 849 CA PHE A 142 -2.008 3.684 7.826 1.00 13.14 C ATOM 850 C PHE A 142 -3.528 3.703 7.691 1.00 63.24 C ATOM 851 O PHE A 142 -4.158 2.662 7.504 1.00 33.41 O ATOM 852 CB PHE A 142 -1.364 4.144 6.517 1.00 4.23 C ATOM 853 CG PHE A 142 -1.328 3.078 5.459 1.00 4.22 C ATOM 854 CD1 PHE A 142 -2.503 2.543 4.957 1.00 20.44 C ATOM 855 CD2 PHE A 142 -0.120 2.613 4.966 1.00 33.40 C ATOM 856 CE1 PHE A 142 -2.473 1.561 3.985 1.00 32.41 C ATOM 857 CE2 PHE A 142 -0.084 1.631 3.993 1.00 53.20 C ATOM 858 CZ PHE A 142 -1.262 1.106 3.501 1.00 15.22 C ATOM 0 H PHE A 142 -2.067 1.589 7.768 1.00 54.21 H new ATOM 0 HA PHE A 142 -1.722 4.369 8.624 1.00 13.14 H new ATOM 0 HB2 PHE A 142 -1.912 5.005 6.135 1.00 4.23 H new ATOM 0 HB3 PHE A 142 -0.346 4.478 6.720 1.00 4.23 H new ATOM 0 HD1 PHE A 142 -3.453 2.897 5.329 1.00 20.44 H new ATOM 0 HD2 PHE A 142 0.805 3.022 5.346 1.00 33.40 H new ATOM 0 HE1 PHE A 142 -3.396 1.150 3.604 1.00 32.41 H new ATOM 0 HE2 PHE A 142 0.865 1.275 3.619 1.00 53.20 H new ATOM 0 HZ PHE A 142 -1.237 0.341 2.739 1.00 15.22 H new ATOM 868 N SER A 143 -4.111 4.893 7.787 1.00 22.30 N ATOM 869 CA SER A 143 -5.557 5.048 7.680 1.00 30.34 C ATOM 870 C SER A 143 -5.919 6.014 6.556 1.00 45.13 C ATOM 871 O SER A 143 -5.063 6.734 6.041 1.00 24.43 O ATOM 872 CB SER A 143 -6.136 5.548 9.005 1.00 54.51 C ATOM 873 OG SER A 143 -5.174 6.288 9.736 1.00 24.42 O ATOM 0 H SER A 143 -3.604 5.765 7.939 1.00 22.30 H new ATOM 0 HA SER A 143 -5.986 4.073 7.449 1.00 30.34 H new ATOM 0 HB2 SER A 143 -7.009 6.172 8.812 1.00 54.51 H new ATOM 0 HB3 SER A 143 -6.476 4.700 9.600 1.00 54.51 H new ATOM 0 HG SER A 143 -5.570 6.597 10.577 1.00 24.42 H new ATOM 879 N VAL A 144 -7.193 6.024 6.180 1.00 32.40 N ATOM 880 CA VAL A 144 -7.670 6.901 5.117 1.00 13.22 C ATOM 881 C VAL A 144 -9.090 7.380 5.397 1.00 60.15 C ATOM 882 O VAL A 144 -10.060 6.673 5.124 1.00 33.04 O ATOM 883 CB VAL A 144 -7.638 6.195 3.749 1.00 73.55 C ATOM 884 CG1 VAL A 144 -7.973 7.173 2.634 1.00 15.23 C ATOM 885 CG2 VAL A 144 -6.280 5.551 3.514 1.00 11.21 C ATOM 0 H VAL A 144 -7.914 5.435 6.596 1.00 32.40 H new ATOM 0 HA VAL A 144 -6.998 7.759 5.089 1.00 13.22 H new ATOM 0 HB VAL A 144 -8.393 5.409 3.748 1.00 73.55 H new ATOM 0 HG11 VAL A 144 -7.945 6.655 1.675 1.00 15.23 H new ATOM 0 HG12 VAL A 144 -8.970 7.582 2.797 1.00 15.23 H new ATOM 0 HG13 VAL A 144 -7.244 7.984 2.630 1.00 15.23 H new ATOM 0 HG21 VAL A 144 -6.275 5.057 2.543 1.00 11.21 H new ATOM 0 HG22 VAL A 144 -5.505 6.317 3.535 1.00 11.21 H new ATOM 0 HG23 VAL A 144 -6.085 4.817 4.296 1.00 11.21 H new ATOM 895 N GLY A 145 -9.205 8.587 5.943 1.00 54.34 N ATOM 896 CA GLY A 145 -10.511 9.141 6.250 1.00 61.02 C ATOM 897 C GLY A 145 -11.215 8.385 7.359 1.00 1.14 C ATOM 898 O GLY A 145 -11.083 8.727 8.533 1.00 5.20 O ATOM 0 H GLY A 145 -8.417 9.191 6.178 1.00 54.34 H new ATOM 0 HA2 GLY A 145 -10.400 10.186 6.540 1.00 61.02 H new ATOM 0 HA3 GLY A 145 -11.130 9.123 5.353 1.00 61.02 H new ATOM 902 N ASN A 146 -11.969 7.355 6.986 1.00 45.13 N ATOM 903 CA ASN A 146 -12.698 6.551 7.959 1.00 33.33 C ATOM 904 C ASN A 146 -12.628 5.069 7.601 1.00 53.24 C ATOM 905 O ASN A 146 -13.510 4.289 7.965 1.00 4.40 O ATOM 906 CB ASN A 146 -14.159 7.001 8.031 1.00 24.44 C ATOM 907 CG ASN A 146 -14.658 7.115 9.459 1.00 61.34 C ATOM 908 OD1 ASN A 146 -15.086 6.128 10.059 1.00 22.33 O ATOM 909 ND2 ASN A 146 -14.607 8.322 10.010 1.00 21.00 N ATOM 0 H ASN A 146 -12.090 7.058 6.018 1.00 45.13 H new ATOM 0 HA ASN A 146 -12.232 6.694 8.934 1.00 33.33 H new ATOM 0 HB2 ASN A 146 -14.264 7.965 7.534 1.00 24.44 H new ATOM 0 HB3 ASN A 146 -14.782 6.292 7.486 1.00 24.44 H new ATOM 0 HD21 ASN A 146 -14.930 8.460 10.968 1.00 21.00 H new ATOM 0 HD22 ASN A 146 -14.245 9.112 9.476 1.00 21.00 H new ATOM 916 N HIS A 147 -11.575 4.687 6.886 1.00 23.11 N ATOM 917 CA HIS A 147 -11.389 3.299 6.480 1.00 44.43 C ATOM 918 C HIS A 147 -10.140 2.706 7.125 1.00 42.42 C ATOM 919 O HIS A 147 -9.481 3.356 7.936 1.00 1.13 O ATOM 920 CB HIS A 147 -11.287 3.200 4.957 1.00 12.32 C ATOM 921 CG HIS A 147 -12.573 3.499 4.250 1.00 12.05 C ATOM 922 ND1 HIS A 147 -13.768 2.892 4.574 1.00 1.21 N ATOM 923 CD2 HIS A 147 -12.847 4.348 3.232 1.00 73.00 C ATOM 924 CE1 HIS A 147 -14.722 3.353 3.784 1.00 45.21 C ATOM 925 NE2 HIS A 147 -14.189 4.238 2.961 1.00 21.21 N ATOM 0 H HIS A 147 -10.837 5.319 6.576 1.00 23.11 H new ATOM 0 HA HIS A 147 -12.255 2.729 6.817 1.00 44.43 H new ATOM 0 HB2 HIS A 147 -10.520 3.891 4.607 1.00 12.32 H new ATOM 0 HB3 HIS A 147 -10.959 2.196 4.688 1.00 12.32 H new ATOM 0 HD2 HIS A 147 -12.142 4.992 2.727 1.00 73.00 H new ATOM 0 HE1 HIS A 147 -15.760 3.057 3.807 1.00 45.21 H new ATOM 0 HE2 HIS A 147 -14.692 4.756 2.241 1.00 21.21 H new ATOM 933 N ASP A 148 -9.820 1.470 6.759 1.00 52.15 N ATOM 934 CA ASP A 148 -8.650 0.790 7.301 1.00 24.24 C ATOM 935 C ASP A 148 -7.947 -0.026 6.222 1.00 64.24 C ATOM 936 O ASP A 148 -8.515 -0.972 5.676 1.00 41.34 O ATOM 937 CB ASP A 148 -9.054 -0.119 8.463 1.00 2.41 C ATOM 938 CG ASP A 148 -8.198 0.100 9.695 1.00 71.24 C ATOM 939 OD1 ASP A 148 -6.977 0.310 9.538 1.00 13.42 O ATOM 940 OD2 ASP A 148 -8.748 0.059 10.815 1.00 1.13 O ATOM 0 H ASP A 148 -10.355 0.918 6.089 1.00 52.15 H new ATOM 0 HA ASP A 148 -7.958 1.548 7.667 1.00 24.24 H new ATOM 0 HB2 ASP A 148 -10.099 0.060 8.714 1.00 2.41 H new ATOM 0 HB3 ASP A 148 -8.975 -1.160 8.150 1.00 2.41 H new ATOM 945 N CYS A 149 -6.708 0.347 5.918 1.00 42.15 N ATOM 946 CA CYS A 149 -5.927 -0.349 4.902 1.00 70.25 C ATOM 947 C CYS A 149 -4.460 -0.440 5.309 1.00 12.43 C ATOM 948 O CYS A 149 -3.986 0.344 6.132 1.00 22.22 O ATOM 949 CB CYS A 149 -6.052 0.364 3.555 1.00 50.51 C ATOM 950 SG CYS A 149 -5.983 2.168 3.666 1.00 42.21 S ATOM 0 H CYS A 149 -6.223 1.128 6.361 1.00 42.15 H new ATOM 0 HA CYS A 149 -6.321 -1.361 4.807 1.00 70.25 H new ATOM 0 HB2 CYS A 149 -5.253 0.020 2.898 1.00 50.51 H new ATOM 0 HB3 CYS A 149 -6.994 0.075 3.089 1.00 50.51 H new ATOM 0 HG CYS A 149 -4.783 2.536 4.004 1.00 42.21 H new ATOM 956 N TYR A 150 -3.749 -1.400 4.730 1.00 2.52 N ATOM 957 CA TYR A 150 -2.336 -1.595 5.036 1.00 11.53 C ATOM 958 C TYR A 150 -1.596 -2.186 3.840 1.00 33.03 C ATOM 959 O TYR A 150 -2.150 -2.989 3.090 1.00 72.43 O ATOM 960 CB TYR A 150 -2.178 -2.510 6.252 1.00 53.14 C ATOM 961 CG TYR A 150 -2.474 -3.963 5.958 1.00 45.25 C ATOM 962 CD1 TYR A 150 -3.782 -4.412 5.817 1.00 65.12 C ATOM 963 CD2 TYR A 150 -1.445 -4.887 5.820 1.00 62.24 C ATOM 964 CE1 TYR A 150 -4.055 -5.739 5.550 1.00 72.31 C ATOM 965 CE2 TYR A 150 -1.710 -6.216 5.551 1.00 61.33 C ATOM 966 CZ TYR A 150 -3.017 -6.637 5.417 1.00 65.20 C ATOM 967 OH TYR A 150 -3.286 -7.960 5.149 1.00 52.34 O ATOM 0 H TYR A 150 -4.127 -2.056 4.046 1.00 2.52 H new ATOM 0 HA TYR A 150 -1.901 -0.622 5.263 1.00 11.53 H new ATOM 0 HB2 TYR A 150 -1.159 -2.425 6.631 1.00 53.14 H new ATOM 0 HB3 TYR A 150 -2.843 -2.166 7.044 1.00 53.14 H new ATOM 0 HD1 TYR A 150 -4.598 -3.712 5.918 1.00 65.12 H new ATOM 0 HD2 TYR A 150 -0.421 -4.561 5.925 1.00 62.24 H new ATOM 0 HE1 TYR A 150 -5.077 -6.072 5.446 1.00 72.31 H new ATOM 0 HE2 TYR A 150 -0.899 -6.921 5.446 1.00 61.33 H new ATOM 0 HH TYR A 150 -2.445 -8.458 5.085 1.00 52.34 H new ATOM 977 N ILE A 151 -0.342 -1.782 3.671 1.00 21.33 N ATOM 978 CA ILE A 151 0.475 -2.273 2.569 1.00 63.24 C ATOM 979 C ILE A 151 1.382 -3.414 3.021 1.00 1.51 C ATOM 980 O ILE A 151 2.305 -3.212 3.810 1.00 22.30 O ATOM 981 CB ILE A 151 1.343 -1.151 1.967 1.00 73.20 C ATOM 982 CG1 ILE A 151 0.540 -0.353 0.938 1.00 71.31 C ATOM 983 CG2 ILE A 151 2.598 -1.733 1.334 1.00 53.41 C ATOM 984 CD1 ILE A 151 0.817 1.133 0.976 1.00 3.21 C ATOM 0 H ILE A 151 0.130 -1.116 4.283 1.00 21.33 H new ATOM 0 HA ILE A 151 -0.213 -2.639 1.806 1.00 63.24 H new ATOM 0 HB ILE A 151 1.645 -0.476 2.767 1.00 73.20 H new ATOM 0 HG12 ILE A 151 0.765 -0.731 -0.059 1.00 71.31 H new ATOM 0 HG13 ILE A 151 -0.523 -0.521 1.110 1.00 71.31 H new ATOM 0 HG21 ILE A 151 3.200 -0.928 0.913 1.00 53.41 H new ATOM 0 HG22 ILE A 151 3.177 -2.261 2.092 1.00 53.41 H new ATOM 0 HG23 ILE A 151 2.318 -2.428 0.542 1.00 53.41 H new ATOM 0 HD11 ILE A 151 0.213 1.635 0.220 1.00 3.21 H new ATOM 0 HD12 ILE A 151 0.565 1.525 1.961 1.00 3.21 H new ATOM 0 HD13 ILE A 151 1.873 1.312 0.774 1.00 3.21 H new ATOM 996 N LYS A 152 1.113 -4.612 2.514 1.00 12.34 N ATOM 997 CA LYS A 152 1.905 -5.785 2.862 1.00 35.43 C ATOM 998 C LYS A 152 3.207 -5.818 2.069 1.00 5.31 C ATOM 999 O LYS A 152 3.218 -6.168 0.889 1.00 12.24 O ATOM 1000 CB LYS A 152 1.104 -7.063 2.600 1.00 74.40 C ATOM 1001 CG LYS A 152 1.096 -8.027 3.774 1.00 14.42 C ATOM 1002 CD LYS A 152 1.684 -9.375 3.393 1.00 32.03 C ATOM 1003 CE LYS A 152 1.674 -10.340 4.569 1.00 41.14 C ATOM 1004 NZ LYS A 152 0.530 -11.291 4.496 1.00 33.12 N ATOM 0 H LYS A 152 0.352 -4.796 1.860 1.00 12.34 H new ATOM 0 HA LYS A 152 2.148 -5.726 3.923 1.00 35.43 H new ATOM 0 HB2 LYS A 152 0.077 -6.794 2.355 1.00 74.40 H new ATOM 0 HB3 LYS A 152 1.518 -7.569 1.728 1.00 74.40 H new ATOM 0 HG2 LYS A 152 1.666 -7.601 4.600 1.00 14.42 H new ATOM 0 HG3 LYS A 152 0.074 -8.162 4.128 1.00 14.42 H new ATOM 0 HD2 LYS A 152 1.115 -9.801 2.567 1.00 32.03 H new ATOM 0 HD3 LYS A 152 2.706 -9.240 3.040 1.00 32.03 H new ATOM 0 HE2 LYS A 152 2.610 -10.898 4.589 1.00 41.14 H new ATOM 0 HE3 LYS A 152 1.619 -9.777 5.501 1.00 41.14 H new ATOM 0 HZ1 LYS A 152 0.558 -11.932 5.315 1.00 33.12 H new ATOM 0 HZ2 LYS A 152 -0.364 -10.760 4.503 1.00 33.12 H new ATOM 0 HZ3 LYS A 152 0.596 -11.847 3.619 1.00 33.12 H new ATOM 1018 N ALA A 153 4.304 -5.452 2.725 1.00 31.02 N ATOM 1019 CA ALA A 153 5.612 -5.443 2.082 1.00 12.22 C ATOM 1020 C ALA A 153 6.403 -6.700 2.429 1.00 53.13 C ATOM 1021 O ALA A 153 6.323 -7.207 3.547 1.00 33.35 O ATOM 1022 CB ALA A 153 6.389 -4.199 2.485 1.00 42.31 C ATOM 0 H ALA A 153 4.312 -5.158 3.702 1.00 31.02 H new ATOM 0 HA ALA A 153 5.459 -5.429 1.003 1.00 12.22 H new ATOM 0 HB1 ALA A 153 7.364 -4.205 1.998 1.00 42.31 H new ATOM 0 HB2 ALA A 153 5.836 -3.310 2.180 1.00 42.31 H new ATOM 0 HB3 ALA A 153 6.524 -4.189 3.567 1.00 42.31 H new ATOM 1028 N VAL A 154 7.168 -7.198 1.463 1.00 52.44 N ATOM 1029 CA VAL A 154 7.974 -8.395 1.666 1.00 51.04 C ATOM 1030 C VAL A 154 9.318 -8.280 0.956 1.00 20.11 C ATOM 1031 O VAL A 154 9.376 -8.043 -0.251 1.00 24.15 O ATOM 1032 CB VAL A 154 7.246 -9.655 1.161 1.00 31.34 C ATOM 1033 CG1 VAL A 154 8.003 -10.909 1.569 1.00 31.32 C ATOM 1034 CG2 VAL A 154 5.818 -9.690 1.685 1.00 71.14 C ATOM 0 H VAL A 154 7.246 -6.790 0.531 1.00 52.44 H new ATOM 0 HA VAL A 154 8.140 -8.486 2.740 1.00 51.04 H new ATOM 0 HB VAL A 154 7.209 -9.621 0.072 1.00 31.34 H new ATOM 0 HG11 VAL A 154 7.473 -11.789 1.203 1.00 31.32 H new ATOM 0 HG12 VAL A 154 9.005 -10.885 1.141 1.00 31.32 H new ATOM 0 HG13 VAL A 154 8.074 -10.954 2.656 1.00 31.32 H new ATOM 0 HG21 VAL A 154 5.318 -10.587 1.319 1.00 71.14 H new ATOM 0 HG22 VAL A 154 5.831 -9.701 2.775 1.00 71.14 H new ATOM 0 HG23 VAL A 154 5.281 -8.807 1.337 1.00 71.14 H new ATOM 1044 N SER A 155 10.398 -8.448 1.713 1.00 73.31 N ATOM 1045 CA SER A 155 11.743 -8.360 1.156 1.00 31.43 C ATOM 1046 C SER A 155 12.262 -9.742 0.771 1.00 25.00 C ATOM 1047 O SER A 155 12.040 -10.722 1.481 1.00 3.31 O ATOM 1048 CB SER A 155 12.692 -7.708 2.164 1.00 31.43 C ATOM 1049 OG SER A 155 13.392 -8.688 2.913 1.00 72.11 O ATOM 0 H SER A 155 10.368 -8.646 2.713 1.00 73.31 H new ATOM 0 HA SER A 155 11.700 -7.744 0.258 1.00 31.43 H new ATOM 0 HB2 SER A 155 13.403 -7.070 1.639 1.00 31.43 H new ATOM 0 HB3 SER A 155 12.126 -7.066 2.839 1.00 31.43 H new ATOM 0 HG SER A 155 13.993 -8.246 3.549 1.00 72.11 H new ATOM 1055 N SER A 156 12.956 -9.811 -0.361 1.00 4.01 N ATOM 1056 CA SER A 156 13.506 -11.072 -0.845 1.00 32.22 C ATOM 1057 C SER A 156 14.950 -10.895 -1.304 1.00 34.11 C ATOM 1058 O SER A 156 15.281 -9.931 -1.992 1.00 40.22 O ATOM 1059 CB SER A 156 12.656 -11.614 -1.996 1.00 62.02 C ATOM 1060 OG SER A 156 13.348 -12.623 -2.710 1.00 24.42 O ATOM 0 H SER A 156 13.151 -9.009 -0.960 1.00 4.01 H new ATOM 0 HA SER A 156 13.490 -11.787 -0.022 1.00 32.22 H new ATOM 0 HB2 SER A 156 11.722 -12.017 -1.604 1.00 62.02 H new ATOM 0 HB3 SER A 156 12.393 -10.801 -2.672 1.00 62.02 H new ATOM 0 HG SER A 156 12.783 -12.954 -3.439 1.00 24.42 H new ATOM 1066 N GLY A 157 15.807 -11.835 -0.916 1.00 40.44 N ATOM 1067 CA GLY A 157 17.206 -11.765 -1.296 1.00 74.45 C ATOM 1068 C GLY A 157 18.136 -12.080 -0.141 1.00 4.42 C ATOM 1069 O GLY A 157 17.822 -12.909 0.712 1.00 60.42 O ATOM 0 H GLY A 157 15.558 -12.643 -0.346 1.00 40.44 H new ATOM 0 HA2 GLY A 157 17.394 -12.464 -2.111 1.00 74.45 H new ATOM 0 HA3 GLY A 157 17.427 -10.767 -1.675 1.00 74.45 H new ATOM 1073 N LYS A 158 19.287 -11.415 -0.114 1.00 22.44 N ATOM 1074 CA LYS A 158 20.268 -11.628 0.945 1.00 31.21 C ATOM 1075 C LYS A 158 20.003 -10.700 2.125 1.00 3.55 C ATOM 1076 O LYS A 158 20.191 -11.080 3.281 1.00 43.10 O ATOM 1077 CB LYS A 158 21.683 -11.400 0.409 1.00 2.12 C ATOM 1078 CG LYS A 158 22.638 -12.541 0.712 1.00 45.43 C ATOM 1079 CD LYS A 158 23.487 -12.893 -0.499 1.00 40.13 C ATOM 1080 CE LYS A 158 24.771 -13.601 -0.093 1.00 41.34 C ATOM 1081 NZ LYS A 158 24.898 -14.936 -0.741 1.00 15.21 N ATOM 0 H LYS A 158 19.563 -10.725 -0.812 1.00 22.44 H new ATOM 0 HA LYS A 158 20.178 -12.658 1.289 1.00 31.21 H new ATOM 0 HB2 LYS A 158 21.635 -11.254 -0.670 1.00 2.12 H new ATOM 0 HB3 LYS A 158 22.081 -10.480 0.837 1.00 2.12 H new ATOM 0 HG2 LYS A 158 23.286 -12.264 1.544 1.00 45.43 H new ATOM 0 HG3 LYS A 158 22.071 -13.417 1.028 1.00 45.43 H new ATOM 0 HD2 LYS A 158 22.915 -13.532 -1.172 1.00 40.13 H new ATOM 0 HD3 LYS A 158 23.730 -11.985 -1.051 1.00 40.13 H new ATOM 0 HE2 LYS A 158 25.627 -12.983 -0.364 1.00 41.34 H new ATOM 0 HE3 LYS A 158 24.793 -13.720 0.990 1.00 41.34 H new ATOM 0 HZ1 LYS A 158 25.786 -15.386 -0.439 1.00 15.21 H new ATOM 0 HZ2 LYS A 158 24.094 -15.535 -0.463 1.00 15.21 H new ATOM 0 HZ3 LYS A 158 24.903 -14.821 -1.775 1.00 15.21 H new ATOM 1095 N ARG A 159 19.567 -9.480 1.828 1.00 45.24 N ATOM 1096 CA ARG A 159 19.278 -8.497 2.865 1.00 55.41 C ATOM 1097 C ARG A 159 18.212 -7.509 2.395 1.00 23.23 C ATOM 1098 O ARG A 159 17.254 -7.226 3.114 1.00 51.41 O ATOM 1099 CB ARG A 159 20.551 -7.744 3.253 1.00 0.35 C ATOM 1100 CG ARG A 159 21.016 -8.027 4.673 1.00 32.00 C ATOM 1101 CD ARG A 159 21.539 -6.769 5.348 1.00 11.34 C ATOM 1102 NE ARG A 159 22.603 -6.134 4.575 1.00 13.11 N ATOM 1103 CZ ARG A 159 23.837 -6.618 4.487 1.00 51.04 C ATOM 1104 NH1 ARG A 159 24.160 -7.737 5.121 1.00 1.12 N ATOM 1105 NH2 ARG A 159 24.750 -5.983 3.763 1.00 33.11 N ATOM 0 H ARG A 159 19.406 -9.149 0.877 1.00 45.24 H new ATOM 0 HA ARG A 159 18.898 -9.027 3.738 1.00 55.41 H new ATOM 0 HB2 ARG A 159 21.347 -8.011 2.559 1.00 0.35 H new ATOM 0 HB3 ARG A 159 20.378 -6.673 3.143 1.00 0.35 H new ATOM 0 HG2 ARG A 159 20.189 -8.436 5.253 1.00 32.00 H new ATOM 0 HG3 ARG A 159 21.799 -8.785 4.657 1.00 32.00 H new ATOM 0 HD2 ARG A 159 20.719 -6.063 5.484 1.00 11.34 H new ATOM 0 HD3 ARG A 159 21.912 -7.019 6.341 1.00 11.34 H new ATOM 0 HE ARG A 159 22.387 -5.272 4.075 1.00 13.11 H new ATOM 0 HH11 ARG A 159 23.460 -8.228 5.678 1.00 1.12 H new ATOM 0 HH12 ARG A 159 25.108 -8.107 5.052 1.00 1.12 H new ATOM 0 HH21 ARG A 159 24.505 -5.122 3.273 1.00 33.11 H new ATOM 0 HH22 ARG A 159 25.697 -6.355 3.696 1.00 33.11 H new ATOM 1119 N LYS A 160 18.388 -6.989 1.186 1.00 70.40 N ATOM 1120 CA LYS A 160 17.443 -6.034 0.619 1.00 11.13 C ATOM 1121 C LYS A 160 17.571 -5.977 -0.899 1.00 43.52 C ATOM 1122 O LYS A 160 17.460 -4.910 -1.501 1.00 4.44 O ATOM 1123 CB LYS A 160 17.674 -4.643 1.213 1.00 5.32 C ATOM 1124 CG LYS A 160 19.099 -4.141 1.051 1.00 13.02 C ATOM 1125 CD LYS A 160 19.298 -2.798 1.734 1.00 61.44 C ATOM 1126 CE LYS A 160 20.438 -2.016 1.100 1.00 0.04 C ATOM 1127 NZ LYS A 160 19.966 -1.151 -0.016 1.00 52.12 N ATOM 0 H LYS A 160 19.177 -7.213 0.579 1.00 70.40 H new ATOM 0 HA LYS A 160 16.435 -6.367 0.869 1.00 11.13 H new ATOM 0 HB2 LYS A 160 16.993 -3.937 0.738 1.00 5.32 H new ATOM 0 HB3 LYS A 160 17.423 -4.664 2.274 1.00 5.32 H new ATOM 0 HG2 LYS A 160 19.792 -4.870 1.471 1.00 13.02 H new ATOM 0 HG3 LYS A 160 19.335 -4.050 -0.009 1.00 13.02 H new ATOM 0 HD2 LYS A 160 18.378 -2.217 1.672 1.00 61.44 H new ATOM 0 HD3 LYS A 160 19.506 -2.954 2.793 1.00 61.44 H new ATOM 0 HE2 LYS A 160 20.920 -1.399 1.858 1.00 0.04 H new ATOM 0 HE3 LYS A 160 21.191 -2.710 0.727 1.00 0.04 H new ATOM 0 HZ1 LYS A 160 20.773 -0.635 -0.421 1.00 52.12 H new ATOM 0 HZ2 LYS A 160 19.528 -1.742 -0.752 1.00 52.12 H new ATOM 0 HZ3 LYS A 160 19.266 -0.471 0.344 1.00 52.12 H new ATOM 1141 N GLU A 161 17.805 -7.133 -1.513 1.00 2.14 N ATOM 1142 CA GLU A 161 17.948 -7.213 -2.962 1.00 50.20 C ATOM 1143 C GLU A 161 16.690 -6.706 -3.662 1.00 21.45 C ATOM 1144 O GLU A 161 16.695 -5.641 -4.276 1.00 43.31 O ATOM 1145 CB GLU A 161 18.238 -8.654 -3.389 1.00 74.13 C ATOM 1146 CG GLU A 161 18.457 -8.812 -4.885 1.00 31.12 C ATOM 1147 CD GLU A 161 18.149 -10.214 -5.374 1.00 23.12 C ATOM 1148 OE1 GLU A 161 16.976 -10.632 -5.281 1.00 30.05 O ATOM 1149 OE2 GLU A 161 19.082 -10.894 -5.851 1.00 2.34 O ATOM 0 H GLU A 161 17.899 -8.026 -1.030 1.00 2.14 H new ATOM 0 HA GLU A 161 18.785 -6.580 -3.255 1.00 50.20 H new ATOM 0 HB2 GLU A 161 19.123 -9.010 -2.861 1.00 74.13 H new ATOM 0 HB3 GLU A 161 17.407 -9.289 -3.083 1.00 74.13 H new ATOM 0 HG2 GLU A 161 17.828 -8.099 -5.418 1.00 31.12 H new ATOM 0 HG3 GLU A 161 19.491 -8.566 -5.125 1.00 31.12 H new ATOM 1156 N GLY A 162 15.613 -7.479 -3.563 1.00 74.43 N ATOM 1157 CA GLY A 162 14.363 -7.094 -4.191 1.00 51.31 C ATOM 1158 C GLY A 162 13.188 -7.164 -3.235 1.00 71.34 C ATOM 1159 O GLY A 162 12.971 -8.185 -2.583 1.00 23.10 O ATOM 0 H GLY A 162 15.584 -8.365 -3.059 1.00 74.43 H new ATOM 0 HA2 GLY A 162 14.452 -6.079 -4.579 1.00 51.31 H new ATOM 0 HA3 GLY A 162 14.173 -7.745 -5.044 1.00 51.31 H new ATOM 1163 N ILE A 163 12.429 -6.076 -3.152 1.00 63.42 N ATOM 1164 CA ILE A 163 11.271 -6.020 -2.269 1.00 21.13 C ATOM 1165 C ILE A 163 9.992 -5.750 -3.056 1.00 20.32 C ATOM 1166 O ILE A 163 10.011 -5.053 -4.070 1.00 63.43 O ATOM 1167 CB ILE A 163 11.436 -4.931 -1.192 1.00 64.34 C ATOM 1168 CG1 ILE A 163 12.764 -5.114 -0.452 1.00 53.35 C ATOM 1169 CG2 ILE A 163 10.270 -4.970 -0.216 1.00 43.44 C ATOM 1170 CD1 ILE A 163 13.018 -4.058 0.601 1.00 51.35 C ATOM 0 H ILE A 163 12.595 -5.222 -3.685 1.00 63.42 H new ATOM 0 HA ILE A 163 11.198 -6.993 -1.783 1.00 21.13 H new ATOM 0 HB ILE A 163 11.443 -3.956 -1.679 1.00 64.34 H new ATOM 0 HG12 ILE A 163 12.776 -6.097 0.020 1.00 53.35 H new ATOM 0 HG13 ILE A 163 13.579 -5.098 -1.175 1.00 53.35 H new ATOM 0 HG21 ILE A 163 10.401 -4.195 0.539 1.00 43.44 H new ATOM 0 HG22 ILE A 163 9.338 -4.798 -0.755 1.00 43.44 H new ATOM 0 HG23 ILE A 163 10.234 -5.946 0.269 1.00 43.44 H new ATOM 0 HD11 ILE A 163 13.976 -4.250 1.085 1.00 51.35 H new ATOM 0 HD12 ILE A 163 13.039 -3.074 0.132 1.00 51.35 H new ATOM 0 HD13 ILE A 163 12.223 -4.088 1.346 1.00 51.35 H new ATOM 1182 N ILE A 164 8.883 -6.305 -2.579 1.00 64.23 N ATOM 1183 CA ILE A 164 7.595 -6.123 -3.237 1.00 1.21 C ATOM 1184 C ILE A 164 6.516 -5.732 -2.232 1.00 45.25 C ATOM 1185 O ILE A 164 6.357 -6.374 -1.194 1.00 63.41 O ATOM 1186 CB ILE A 164 7.154 -7.399 -3.976 1.00 13.02 C ATOM 1187 CG1 ILE A 164 8.211 -7.812 -5.002 1.00 42.22 C ATOM 1188 CG2 ILE A 164 5.808 -7.181 -4.653 1.00 21.34 C ATOM 1189 CD1 ILE A 164 8.765 -9.201 -4.774 1.00 4.34 C ATOM 0 H ILE A 164 8.850 -6.884 -1.740 1.00 64.23 H new ATOM 0 HA ILE A 164 7.722 -5.320 -3.963 1.00 1.21 H new ATOM 0 HB ILE A 164 7.047 -8.204 -3.248 1.00 13.02 H new ATOM 0 HG12 ILE A 164 7.776 -7.763 -6.000 1.00 42.22 H new ATOM 0 HG13 ILE A 164 9.031 -7.094 -4.976 1.00 42.22 H new ATOM 0 HG21 ILE A 164 5.510 -8.092 -5.171 1.00 21.34 H new ATOM 0 HG22 ILE A 164 5.059 -6.929 -3.902 1.00 21.34 H new ATOM 0 HG23 ILE A 164 5.890 -6.365 -5.371 1.00 21.34 H new ATOM 0 HD11 ILE A 164 9.509 -9.426 -5.539 1.00 4.34 H new ATOM 0 HD12 ILE A 164 9.230 -9.250 -3.790 1.00 4.34 H new ATOM 0 HD13 ILE A 164 7.956 -9.929 -4.829 1.00 4.34 H new ATOM 1201 N HIS A 165 5.775 -4.675 -2.549 1.00 74.25 N ATOM 1202 CA HIS A 165 4.708 -4.200 -1.676 1.00 33.00 C ATOM 1203 C HIS A 165 3.338 -4.493 -2.281 1.00 22.21 C ATOM 1204 O HIS A 165 3.112 -4.268 -3.471 1.00 31.42 O ATOM 1205 CB HIS A 165 4.856 -2.698 -1.424 1.00 62.40 C ATOM 1206 CG HIS A 165 6.272 -2.267 -1.195 1.00 40.52 C ATOM 1207 ND1 HIS A 165 7.163 -2.035 -2.222 1.00 3.13 N ATOM 1208 CD2 HIS A 165 6.949 -2.024 -0.049 1.00 65.30 C ATOM 1209 CE1 HIS A 165 8.327 -1.669 -1.716 1.00 5.33 C ATOM 1210 NE2 HIS A 165 8.224 -1.654 -0.399 1.00 31.22 N ATOM 0 H HIS A 165 5.894 -4.131 -3.404 1.00 74.25 H new ATOM 0 HA HIS A 165 4.787 -4.730 -0.727 1.00 33.00 H new ATOM 0 HB2 HIS A 165 4.452 -2.153 -2.277 1.00 62.40 H new ATOM 0 HB3 HIS A 165 4.256 -2.422 -0.557 1.00 62.40 H new ATOM 0 HD2 HIS A 165 6.559 -2.106 0.955 1.00 65.30 H new ATOM 0 HE1 HIS A 165 9.213 -1.424 -2.283 1.00 5.33 H new ATOM 0 HE2 HIS A 165 8.970 -1.408 0.252 1.00 31.22 H new ATOM 1218 N THR A 166 2.427 -4.998 -1.454 1.00 43.44 N ATOM 1219 CA THR A 166 1.082 -5.324 -1.908 1.00 52.24 C ATOM 1220 C THR A 166 0.029 -4.627 -1.054 1.00 12.33 C ATOM 1221 O THR A 166 -0.162 -4.966 0.114 1.00 23.00 O ATOM 1222 CB THR A 166 0.829 -6.843 -1.874 1.00 4.02 C ATOM 1223 OG1 THR A 166 1.939 -7.510 -1.262 1.00 2.12 O ATOM 1224 CG2 THR A 166 0.616 -7.388 -3.278 1.00 34.14 C ATOM 0 H THR A 166 2.597 -5.190 -0.467 1.00 43.44 H new ATOM 0 HA THR A 166 1.003 -4.973 -2.937 1.00 52.24 H new ATOM 0 HB THR A 166 -0.073 -7.026 -1.290 1.00 4.02 H new ATOM 0 HG1 THR A 166 2.195 -7.035 -0.444 1.00 2.12 H new ATOM 0 HG21 THR A 166 0.439 -8.462 -3.228 1.00 34.14 H new ATOM 0 HG22 THR A 166 -0.246 -6.899 -3.731 1.00 34.14 H new ATOM 0 HG23 THR A 166 1.502 -7.194 -3.882 1.00 34.14 H new ATOM 1232 N LEU A 167 -0.653 -3.650 -1.644 1.00 22.21 N ATOM 1233 CA LEU A 167 -1.688 -2.905 -0.936 1.00 44.40 C ATOM 1234 C LEU A 167 -2.879 -3.799 -0.614 1.00 32.52 C ATOM 1235 O LEU A 167 -3.339 -4.568 -1.460 1.00 4.44 O ATOM 1236 CB LEU A 167 -2.145 -1.709 -1.775 1.00 33.42 C ATOM 1237 CG LEU A 167 -3.471 -1.068 -1.361 1.00 70.04 C ATOM 1238 CD1 LEU A 167 -3.444 -0.687 0.110 1.00 25.34 C ATOM 1239 CD2 LEU A 167 -3.765 0.150 -2.224 1.00 1.11 C ATOM 0 H LEU A 167 -0.508 -3.356 -2.610 1.00 22.21 H new ATOM 0 HA LEU A 167 -1.265 -2.544 0.002 1.00 44.40 H new ATOM 0 HB2 LEU A 167 -1.368 -0.946 -1.737 1.00 33.42 H new ATOM 0 HB3 LEU A 167 -2.227 -2.029 -2.814 1.00 33.42 H new ATOM 0 HG LEU A 167 -4.268 -1.797 -1.511 1.00 70.04 H new ATOM 0 HD11 LEU A 167 -4.396 -0.233 0.386 1.00 25.34 H new ATOM 0 HD12 LEU A 167 -3.279 -1.579 0.714 1.00 25.34 H new ATOM 0 HD13 LEU A 167 -2.637 0.025 0.287 1.00 25.34 H new ATOM 0 HD21 LEU A 167 -4.712 0.594 -1.916 1.00 1.11 H new ATOM 0 HD22 LEU A 167 -2.966 0.881 -2.105 1.00 1.11 H new ATOM 0 HD23 LEU A 167 -3.829 -0.152 -3.270 1.00 1.11 H new ATOM 1251 N ILE A 168 -3.376 -3.694 0.614 1.00 73.10 N ATOM 1252 CA ILE A 168 -4.517 -4.491 1.047 1.00 34.30 C ATOM 1253 C ILE A 168 -5.509 -3.648 1.842 1.00 44.43 C ATOM 1254 O ILE A 168 -5.258 -3.295 2.993 1.00 25.42 O ATOM 1255 CB ILE A 168 -4.073 -5.687 1.910 1.00 62.35 C ATOM 1256 CG1 ILE A 168 -3.031 -6.523 1.163 1.00 4.11 C ATOM 1257 CG2 ILE A 168 -5.272 -6.542 2.288 1.00 74.11 C ATOM 1258 CD1 ILE A 168 -2.754 -7.862 1.810 1.00 5.44 C ATOM 0 H ILE A 168 -3.006 -3.065 1.327 1.00 73.10 H new ATOM 0 HA ILE A 168 -5.001 -4.863 0.144 1.00 34.30 H new ATOM 0 HB ILE A 168 -3.620 -5.307 2.825 1.00 62.35 H new ATOM 0 HG12 ILE A 168 -3.373 -6.686 0.141 1.00 4.11 H new ATOM 0 HG13 ILE A 168 -2.100 -5.959 1.102 1.00 4.11 H new ATOM 0 HG21 ILE A 168 -4.941 -7.383 2.898 1.00 74.11 H new ATOM 0 HG22 ILE A 168 -5.984 -5.941 2.854 1.00 74.11 H new ATOM 0 HG23 ILE A 168 -5.752 -6.916 1.384 1.00 74.11 H new ATOM 0 HD11 ILE A 168 -2.006 -8.400 1.227 1.00 5.44 H new ATOM 0 HD12 ILE A 168 -2.382 -7.707 2.823 1.00 5.44 H new ATOM 0 HD13 ILE A 168 -3.674 -8.445 1.847 1.00 5.44 H new ATOM 1270 N VAL A 169 -6.637 -3.327 1.217 1.00 74.31 N ATOM 1271 CA VAL A 169 -7.669 -2.527 1.866 1.00 54.10 C ATOM 1272 C VAL A 169 -8.899 -3.370 2.185 1.00 52.21 C ATOM 1273 O VAL A 169 -9.429 -4.066 1.319 1.00 72.20 O ATOM 1274 CB VAL A 169 -8.092 -1.336 0.985 1.00 32.15 C ATOM 1275 CG1 VAL A 169 -9.115 -0.473 1.710 1.00 65.03 C ATOM 1276 CG2 VAL A 169 -6.877 -0.514 0.584 1.00 42.11 C ATOM 0 H VAL A 169 -6.860 -3.609 0.262 1.00 74.31 H new ATOM 0 HA VAL A 169 -7.240 -2.150 2.794 1.00 54.10 H new ATOM 0 HB VAL A 169 -8.556 -1.723 0.078 1.00 32.15 H new ATOM 0 HG11 VAL A 169 -9.402 0.363 1.073 1.00 65.03 H new ATOM 0 HG12 VAL A 169 -9.996 -1.071 1.943 1.00 65.03 H new ATOM 0 HG13 VAL A 169 -8.680 -0.092 2.634 1.00 65.03 H new ATOM 0 HG21 VAL A 169 -7.193 0.323 -0.038 1.00 42.11 H new ATOM 0 HG22 VAL A 169 -6.383 -0.135 1.479 1.00 42.11 H new ATOM 0 HG23 VAL A 169 -6.183 -1.140 0.024 1.00 42.11 H new ATOM 1286 N ASP A 170 -9.348 -3.303 3.433 1.00 4.34 N ATOM 1287 CA ASP A 170 -10.517 -4.058 3.868 1.00 64.44 C ATOM 1288 C ASP A 170 -10.263 -5.559 3.763 1.00 60.44 C ATOM 1289 O ASP A 170 -11.134 -6.318 3.341 1.00 15.30 O ATOM 1290 CB ASP A 170 -11.739 -3.675 3.030 1.00 23.34 C ATOM 1291 CG ASP A 170 -12.998 -3.555 3.866 1.00 64.22 C ATOM 1292 OD1 ASP A 170 -13.073 -2.625 4.695 1.00 63.52 O ATOM 1293 OD2 ASP A 170 -13.908 -4.392 3.690 1.00 74.12 O ATOM 0 H ASP A 170 -8.920 -2.733 4.162 1.00 4.34 H new ATOM 0 HA ASP A 170 -10.711 -3.812 4.912 1.00 64.44 H new ATOM 0 HB2 ASP A 170 -11.549 -2.727 2.527 1.00 23.34 H new ATOM 0 HB3 ASP A 170 -11.892 -4.423 2.253 1.00 23.34 H new ATOM 1298 N ASN A 171 -9.064 -5.980 4.149 1.00 24.35 N ATOM 1299 CA ASN A 171 -8.695 -7.390 4.098 1.00 44.30 C ATOM 1300 C ASN A 171 -8.859 -7.944 2.686 1.00 54.15 C ATOM 1301 O ASN A 171 -9.362 -9.051 2.498 1.00 72.32 O ATOM 1302 CB ASN A 171 -9.547 -8.198 5.078 1.00 71.45 C ATOM 1303 CG ASN A 171 -8.757 -9.300 5.759 1.00 53.22 C ATOM 1304 OD1 ASN A 171 -8.687 -9.360 6.987 1.00 3.50 O ATOM 1305 ND2 ASN A 171 -8.159 -10.177 4.963 1.00 70.31 N ATOM 0 H ASN A 171 -8.330 -5.365 4.501 1.00 24.35 H new ATOM 0 HA ASN A 171 -7.647 -7.476 4.383 1.00 44.30 H new ATOM 0 HB2 ASN A 171 -9.959 -7.529 5.834 1.00 71.45 H new ATOM 0 HB3 ASN A 171 -10.391 -8.636 4.546 1.00 71.45 H new ATOM 0 HD21 ASN A 171 -7.614 -10.940 5.364 1.00 70.31 H new ATOM 0 HD22 ASN A 171 -8.245 -10.088 3.951 1.00 70.31 H new ATOM 1312 N ARG A 172 -8.432 -7.165 1.697 1.00 13.11 N ATOM 1313 CA ARG A 172 -8.534 -7.577 0.302 1.00 1.41 C ATOM 1314 C ARG A 172 -7.288 -7.166 -0.478 1.00 64.02 C ATOM 1315 O ARG A 172 -6.898 -5.999 -0.471 1.00 61.52 O ATOM 1316 CB ARG A 172 -9.778 -6.965 -0.344 1.00 24.35 C ATOM 1317 CG ARG A 172 -10.986 -7.888 -0.334 1.00 71.21 C ATOM 1318 CD ARG A 172 -12.131 -7.315 -1.154 1.00 41.43 C ATOM 1319 NE ARG A 172 -12.226 -7.938 -2.472 1.00 3.24 N ATOM 1320 CZ ARG A 172 -13.022 -7.495 -3.438 1.00 44.41 C ATOM 1321 NH1 ARG A 172 -13.788 -6.431 -3.236 1.00 3.01 N ATOM 1322 NH2 ARG A 172 -13.051 -8.114 -4.611 1.00 75.31 N ATOM 0 H ARG A 172 -8.012 -6.246 1.836 1.00 13.11 H new ATOM 0 HA ARG A 172 -8.617 -8.663 0.275 1.00 1.41 H new ATOM 0 HB2 ARG A 172 -10.032 -6.043 0.178 1.00 24.35 H new ATOM 0 HB3 ARG A 172 -9.546 -6.695 -1.374 1.00 24.35 H new ATOM 0 HG2 ARG A 172 -10.704 -8.863 -0.732 1.00 71.21 H new ATOM 0 HG3 ARG A 172 -11.316 -8.046 0.693 1.00 71.21 H new ATOM 0 HD2 ARG A 172 -13.069 -7.458 -0.617 1.00 41.43 H new ATOM 0 HD3 ARG A 172 -11.991 -6.240 -1.270 1.00 41.43 H new ATOM 0 HE ARG A 172 -11.649 -8.758 -2.660 1.00 3.24 H new ATOM 0 HH11 ARG A 172 -13.767 -5.951 -2.336 1.00 3.01 H new ATOM 0 HH12 ARG A 172 -14.398 -6.093 -3.980 1.00 3.01 H new ATOM 0 HH21 ARG A 172 -12.462 -8.931 -4.771 1.00 75.31 H new ATOM 0 HH22 ARG A 172 -13.663 -7.773 -5.353 1.00 75.31 H new ATOM 1336 N GLU A 173 -6.669 -8.133 -1.148 1.00 34.43 N ATOM 1337 CA GLU A 173 -5.468 -7.871 -1.931 1.00 43.25 C ATOM 1338 C GLU A 173 -5.761 -6.895 -3.066 1.00 45.21 C ATOM 1339 O GLU A 173 -6.848 -6.906 -3.645 1.00 63.22 O ATOM 1340 CB GLU A 173 -4.907 -9.177 -2.499 1.00 15.52 C ATOM 1341 CG GLU A 173 -3.429 -9.104 -2.846 1.00 35.43 C ATOM 1342 CD GLU A 173 -3.107 -9.777 -4.166 1.00 74.10 C ATOM 1343 OE1 GLU A 173 -2.863 -11.001 -4.166 1.00 74.41 O ATOM 1344 OE2 GLU A 173 -3.098 -9.077 -5.200 1.00 74.15 O ATOM 0 H GLU A 173 -6.980 -9.104 -1.164 1.00 34.43 H new ATOM 0 HA GLU A 173 -4.726 -7.422 -1.271 1.00 43.25 H new ATOM 0 HB2 GLU A 173 -5.062 -9.975 -1.773 1.00 15.52 H new ATOM 0 HB3 GLU A 173 -5.469 -9.445 -3.394 1.00 15.52 H new ATOM 0 HG2 GLU A 173 -3.121 -8.059 -2.890 1.00 35.43 H new ATOM 0 HG3 GLU A 173 -2.849 -9.574 -2.052 1.00 35.43 H new ATOM 1351 N ILE A 174 -4.784 -6.050 -3.379 1.00 64.25 N ATOM 1352 CA ILE A 174 -4.937 -5.068 -4.445 1.00 5.41 C ATOM 1353 C ILE A 174 -3.839 -5.218 -5.492 1.00 65.34 C ATOM 1354 O ILE A 174 -2.651 -5.301 -5.176 1.00 52.40 O ATOM 1355 CB ILE A 174 -4.910 -3.630 -3.894 1.00 35.42 C ATOM 1356 CG1 ILE A 174 -6.069 -3.414 -2.919 1.00 12.34 C ATOM 1357 CG2 ILE A 174 -4.975 -2.624 -5.033 1.00 23.12 C ATOM 1358 CD1 ILE A 174 -7.038 -2.339 -3.360 1.00 12.24 C ATOM 0 H ILE A 174 -3.879 -6.026 -2.910 1.00 64.25 H new ATOM 0 HA ILE A 174 -5.906 -5.254 -4.908 1.00 5.41 H new ATOM 0 HB ILE A 174 -3.974 -3.480 -3.357 1.00 35.42 H new ATOM 0 HG12 ILE A 174 -6.611 -4.352 -2.798 1.00 12.34 H new ATOM 0 HG13 ILE A 174 -5.666 -3.150 -1.941 1.00 12.34 H new ATOM 0 HG21 ILE A 174 -4.955 -1.613 -4.627 1.00 23.12 H new ATOM 0 HG22 ILE A 174 -4.120 -2.767 -5.694 1.00 23.12 H new ATOM 0 HG23 ILE A 174 -5.897 -2.771 -5.596 1.00 23.12 H new ATOM 0 HD11 ILE A 174 -7.833 -2.241 -2.621 1.00 12.24 H new ATOM 0 HD12 ILE A 174 -6.510 -1.390 -3.454 1.00 12.24 H new ATOM 0 HD13 ILE A 174 -7.469 -2.611 -4.323 1.00 12.24 H new ATOM 1370 N PRO A 175 -4.241 -5.253 -6.772 1.00 31.24 N ATOM 1371 CA PRO A 175 -3.307 -5.391 -7.893 1.00 4.44 C ATOM 1372 C PRO A 175 -2.453 -4.143 -8.093 1.00 15.14 C ATOM 1373 O PRO A 175 -2.968 -3.026 -8.113 1.00 13.02 O ATOM 1374 CB PRO A 175 -4.227 -5.609 -9.096 1.00 41.43 C ATOM 1375 CG PRO A 175 -5.516 -4.970 -8.708 1.00 73.50 C ATOM 1376 CD PRO A 175 -5.640 -5.159 -7.222 1.00 31.22 C ATOM 0 HA PRO A 175 -2.594 -6.200 -7.733 1.00 4.44 H new ATOM 0 HB2 PRO A 175 -3.815 -5.154 -9.997 1.00 41.43 H new ATOM 0 HB3 PRO A 175 -4.359 -6.670 -9.306 1.00 41.43 H new ATOM 0 HG2 PRO A 175 -5.521 -3.912 -8.969 1.00 73.50 H new ATOM 0 HG3 PRO A 175 -6.353 -5.431 -9.231 1.00 73.50 H new ATOM 0 HD2 PRO A 175 -6.158 -4.323 -6.752 1.00 31.22 H new ATOM 0 HD3 PRO A 175 -6.202 -6.060 -6.977 1.00 31.22 H new ATOM 1384 N GLU A 176 -1.147 -4.342 -8.242 1.00 73.10 N ATOM 1385 CA GLU A 176 -0.224 -3.231 -8.440 1.00 72.23 C ATOM 1386 C GLU A 176 -0.009 -2.962 -9.926 1.00 44.23 C ATOM 1387 O GLU A 176 -0.330 -3.797 -10.773 1.00 52.22 O ATOM 1388 CB GLU A 176 1.117 -3.528 -7.765 1.00 14.24 C ATOM 1389 CG GLU A 176 1.855 -2.281 -7.306 1.00 32.35 C ATOM 1390 CD GLU A 176 3.214 -2.132 -7.961 1.00 63.15 C ATOM 1391 OE1 GLU A 176 4.105 -2.957 -7.670 1.00 65.11 O ATOM 1392 OE2 GLU A 176 3.386 -1.193 -8.766 1.00 3.42 O ATOM 0 H GLU A 176 -0.705 -5.261 -8.229 1.00 73.10 H new ATOM 0 HA GLU A 176 -0.662 -2.342 -7.987 1.00 72.23 H new ATOM 0 HB2 GLU A 176 0.946 -4.176 -6.906 1.00 14.24 H new ATOM 0 HB3 GLU A 176 1.750 -4.080 -8.460 1.00 14.24 H new ATOM 0 HG2 GLU A 176 1.250 -1.402 -7.530 1.00 32.35 H new ATOM 0 HG3 GLU A 176 1.979 -2.315 -6.224 1.00 32.35 H new