USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 644 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 18 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 28 ASN : amide:sc= -2.72 K(o=-2.7,f=-5.2!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -170:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -89:sc= 0.161 USER MOD Single : A 24 SER OG : rot 180:sc= -0.342 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -3.8 K(o=-3.8,f=-6.1!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 58:sc= 0.00367 USER MOD Single : A 83 TYR OH : rot 180:sc= 0.731 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -1.61 K(o=-1.6,f=-0.051) USER MOD Single : A 95 LYS NZ :NH3+ 161:sc= -0.0511 (180deg=-0.345) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.0887 K(o=-0.089,f=-1.8!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.00417 USER MOD Single : A 105 THR OG1 : rot 150:sc= 1.64 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 115 N ARG A 11 -0.403 -11.523 7.639 1.00 0.00 N ATOM 116 CA ARG A 11 -0.882 -10.419 8.462 1.00 0.00 C ATOM 117 C ARG A 11 -0.204 -9.111 8.065 1.00 0.00 C ATOM 118 O ARG A 11 0.802 -9.111 7.354 1.00 0.00 O ATOM 119 CB ARG A 11 -0.627 -10.709 9.942 1.00 0.00 C ATOM 120 CG ARG A 11 -1.304 -11.975 10.441 1.00 0.00 C ATOM 121 CD ARG A 11 -1.716 -11.849 11.899 1.00 0.00 C ATOM 122 NE ARG A 11 -2.257 -13.100 12.425 1.00 0.00 N ATOM 123 CZ ARG A 11 -2.364 -13.367 13.722 1.00 0.00 C ATOM 124 NH1 ARG A 11 -1.969 -12.475 14.620 1.00 0.00 N ATOM 125 NH2 ARG A 11 -2.868 -14.527 14.122 1.00 0.00 N ATOM 0 HA ARG A 11 -1.955 -10.317 8.299 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.447 -10.793 10.107 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.976 -9.863 10.534 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.182 -12.184 9.830 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.627 -12.821 10.325 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.854 -11.548 12.495 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.463 -11.061 11.998 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.570 -13.807 11.760 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.582 -11.582 14.316 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.052 -12.682 15.615 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.174 -15.215 13.434 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.950 -14.731 15.118 1.00 0.00 H new ATOM 139 N LEU A 12 -0.762 -7.997 8.527 1.00 0.00 N ATOM 140 CA LEU A 12 -0.212 -6.682 8.220 1.00 0.00 C ATOM 141 C LEU A 12 0.603 -6.145 9.392 1.00 0.00 C ATOM 142 O LEU A 12 0.515 -6.657 10.508 1.00 0.00 O ATOM 143 CB LEU A 12 -1.338 -5.704 7.876 1.00 0.00 C ATOM 144 CG LEU A 12 -1.828 -5.727 6.428 1.00 0.00 C ATOM 145 CD1 LEU A 12 -3.245 -5.181 6.336 1.00 0.00 C ATOM 146 CD2 LEU A 12 -0.888 -4.931 5.534 1.00 0.00 C ATOM 0 H LEU A 12 -1.595 -7.979 9.115 1.00 0.00 H new ATOM 0 HA LEU A 12 0.448 -6.784 7.359 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.186 -5.913 8.529 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.999 -4.694 8.108 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.836 -6.761 6.083 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.577 -5.205 5.298 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.911 -5.793 6.945 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.263 -4.153 6.699 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.252 -4.958 4.507 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.848 -3.897 5.877 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.110 -5.367 5.576 1.00 0.00 H new ATOM 158 N SER A 13 1.394 -5.109 9.131 1.00 0.00 N ATOM 159 CA SER A 13 2.227 -4.504 10.164 1.00 0.00 C ATOM 160 C SER A 13 1.635 -3.177 10.629 1.00 0.00 C ATOM 161 O SER A 13 0.610 -2.729 10.116 1.00 0.00 O ATOM 162 CB SER A 13 3.648 -4.286 9.641 1.00 0.00 C ATOM 163 OG SER A 13 4.597 -4.377 10.689 1.00 0.00 O ATOM 0 H SER A 13 1.476 -4.671 8.213 1.00 0.00 H new ATOM 0 HA SER A 13 2.262 -5.185 11.014 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.875 -5.028 8.875 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.718 -3.307 9.167 1.00 0.00 H new ATOM 0 HG SER A 13 5.497 -4.236 10.328 1.00 0.00 H new ATOM 169 N GLN A 14 2.290 -2.554 11.603 1.00 0.00 N ATOM 170 CA GLN A 14 1.829 -1.278 12.139 1.00 0.00 C ATOM 171 C GLN A 14 1.742 -0.225 11.039 1.00 0.00 C ATOM 172 O GLN A 14 2.761 0.228 10.517 1.00 0.00 O ATOM 173 CB GLN A 14 2.767 -0.797 13.248 1.00 0.00 C ATOM 174 CG GLN A 14 4.228 -0.750 12.831 1.00 0.00 C ATOM 175 CD GLN A 14 5.163 -0.545 14.006 1.00 0.00 C ATOM 176 OE1 GLN A 14 4.751 -0.079 15.069 1.00 0.00 O ATOM 177 NE2 GLN A 14 6.432 -0.892 13.821 1.00 0.00 N ATOM 0 H GLN A 14 3.141 -2.911 12.037 1.00 0.00 H new ATOM 0 HA GLN A 14 0.832 -1.427 12.555 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.457 0.198 13.569 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.665 -1.456 14.110 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.487 -1.679 12.323 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.371 0.057 12.112 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.731 -1.274 12.924 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.108 -0.776 14.576 1.00 0.00 H new ATOM 186 N LEU A 15 0.519 0.159 10.690 1.00 0.00 N ATOM 187 CA LEU A 15 0.299 1.159 9.650 1.00 0.00 C ATOM 188 C LEU A 15 0.321 2.567 10.236 1.00 0.00 C ATOM 189 O LEU A 15 -0.639 3.000 10.874 1.00 0.00 O ATOM 190 CB LEU A 15 -1.037 0.907 8.948 1.00 0.00 C ATOM 191 CG LEU A 15 -1.575 2.057 8.097 1.00 0.00 C ATOM 192 CD1 LEU A 15 -1.007 1.989 6.688 1.00 0.00 C ATOM 193 CD2 LEU A 15 -3.096 2.030 8.063 1.00 0.00 C ATOM 0 H LEU A 15 -0.335 -0.206 11.111 1.00 0.00 H new ATOM 0 HA LEU A 15 1.106 1.075 8.922 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.930 0.029 8.311 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.782 0.662 9.705 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.259 2.997 8.549 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.401 2.815 6.097 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.080 2.059 6.730 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.292 1.044 6.226 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.461 2.856 7.453 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.434 1.086 7.635 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.484 2.129 9.077 1.00 0.00 H new ATOM 205 N SER A 16 1.422 3.278 10.013 1.00 0.00 N ATOM 206 CA SER A 16 1.570 4.637 10.520 1.00 0.00 C ATOM 207 C SER A 16 1.483 5.652 9.385 1.00 0.00 C ATOM 208 O SER A 16 1.591 5.299 8.210 1.00 0.00 O ATOM 209 CB SER A 16 2.904 4.788 11.254 1.00 0.00 C ATOM 210 OG SER A 16 2.787 4.395 12.610 1.00 0.00 O ATOM 0 H SER A 16 2.224 2.935 9.485 1.00 0.00 H new ATOM 0 HA SER A 16 0.756 4.829 11.219 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.665 4.183 10.761 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.237 5.824 11.200 1.00 0.00 H new ATOM 0 HG SER A 16 3.653 4.499 13.057 1.00 0.00 H new ATOM 216 N VAL A 17 1.288 6.917 9.744 1.00 0.00 N ATOM 217 CA VAL A 17 1.187 7.986 8.757 1.00 0.00 C ATOM 218 C VAL A 17 2.371 8.941 8.859 1.00 0.00 C ATOM 219 O VAL A 17 2.694 9.436 9.940 1.00 0.00 O ATOM 220 CB VAL A 17 -0.118 8.785 8.926 1.00 0.00 C ATOM 221 CG1 VAL A 17 -0.103 10.025 8.046 1.00 0.00 C ATOM 222 CG2 VAL A 17 -1.322 7.911 8.608 1.00 0.00 C ATOM 0 H VAL A 17 1.197 7.227 10.712 1.00 0.00 H new ATOM 0 HA VAL A 17 1.189 7.512 7.776 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.195 9.107 9.965 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.034 10.577 8.179 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.738 10.659 8.325 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.003 9.729 7.002 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.236 8.492 8.733 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.254 7.558 7.579 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.340 7.056 9.284 1.00 0.00 H new ATOM 232 N THR A 18 3.017 9.198 7.726 1.00 0.00 N ATOM 233 CA THR A 18 4.166 10.093 7.687 1.00 0.00 C ATOM 234 C THR A 18 3.936 11.241 6.710 1.00 0.00 C ATOM 235 O THR A 18 3.109 11.141 5.804 1.00 0.00 O ATOM 236 CB THR A 18 5.450 9.342 7.285 1.00 0.00 C ATOM 237 OG1 THR A 18 5.463 9.116 5.871 1.00 0.00 O ATOM 238 CG2 THR A 18 5.551 8.013 8.018 1.00 0.00 C ATOM 0 H THR A 18 2.763 8.798 6.823 1.00 0.00 H new ATOM 0 HA THR A 18 4.288 10.494 8.693 1.00 0.00 H new ATOM 0 HB THR A 18 6.306 9.957 7.561 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.283 8.640 5.623 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.465 7.501 7.718 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.571 8.191 9.093 1.00 0.00 H new ATOM 0 HG23 THR A 18 4.690 7.394 7.769 1.00 0.00 H new ATOM 246 N ASP A 19 4.672 12.330 6.901 1.00 0.00 N ATOM 247 CA ASP A 19 4.549 13.497 6.035 1.00 0.00 C ATOM 248 C ASP A 19 3.145 14.088 6.116 1.00 0.00 C ATOM 249 O ASP A 19 2.600 14.559 5.118 1.00 0.00 O ATOM 250 CB ASP A 19 4.875 13.123 4.589 1.00 0.00 C ATOM 251 CG ASP A 19 6.349 13.277 4.269 1.00 0.00 C ATOM 252 OD1 ASP A 19 7.183 12.772 5.051 1.00 0.00 O ATOM 253 OD2 ASP A 19 6.670 13.903 3.237 1.00 0.00 O ATOM 0 H ASP A 19 5.360 12.429 7.648 1.00 0.00 H new ATOM 0 HA ASP A 19 5.261 14.248 6.377 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.572 12.092 4.407 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.292 13.750 3.914 1.00 0.00 H new ATOM 258 N VAL A 20 2.564 14.059 7.312 1.00 0.00 N ATOM 259 CA VAL A 20 1.223 14.591 7.523 1.00 0.00 C ATOM 260 C VAL A 20 1.086 15.987 6.925 1.00 0.00 C ATOM 261 O VAL A 20 1.559 16.970 7.497 1.00 0.00 O ATOM 262 CB VAL A 20 0.873 14.650 9.022 1.00 0.00 C ATOM 263 CG1 VAL A 20 -0.615 14.900 9.213 1.00 0.00 C ATOM 264 CG2 VAL A 20 1.301 13.368 9.719 1.00 0.00 C ATOM 0 H VAL A 20 3.001 13.673 8.149 1.00 0.00 H new ATOM 0 HA VAL A 20 0.531 13.914 7.022 1.00 0.00 H new ATOM 0 HB VAL A 20 1.417 15.480 9.473 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.844 14.939 10.278 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.887 15.848 8.749 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.182 14.093 8.749 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.046 13.427 10.777 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.786 12.520 9.268 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.378 13.238 9.612 1.00 0.00 H new ATOM 274 N THR A 21 0.433 16.068 5.770 1.00 0.00 N ATOM 275 CA THR A 21 0.233 17.343 5.093 1.00 0.00 C ATOM 276 C THR A 21 -1.018 18.047 5.605 1.00 0.00 C ATOM 277 O THR A 21 -1.900 17.420 6.192 1.00 0.00 O ATOM 278 CB THR A 21 0.116 17.157 3.568 1.00 0.00 C ATOM 279 OG1 THR A 21 0.970 16.092 3.137 1.00 0.00 O ATOM 280 CG2 THR A 21 0.485 18.439 2.837 1.00 0.00 C ATOM 0 H THR A 21 0.034 15.265 5.284 1.00 0.00 H new ATOM 0 HA THR A 21 1.107 17.957 5.311 1.00 0.00 H new ATOM 0 HB THR A 21 -0.919 16.909 3.333 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.012 16.082 2.158 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.395 18.284 1.762 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.187 19.240 3.145 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.512 18.713 3.079 1.00 0.00 H new ATOM 288 N THR A 22 -1.090 19.355 5.379 1.00 0.00 N ATOM 289 CA THR A 22 -2.233 20.145 5.818 1.00 0.00 C ATOM 290 C THR A 22 -3.546 19.477 5.427 1.00 0.00 C ATOM 291 O THR A 22 -4.455 19.346 6.246 1.00 0.00 O ATOM 292 CB THR A 22 -2.196 21.566 5.225 1.00 0.00 C ATOM 293 OG1 THR A 22 -1.934 21.503 3.818 1.00 0.00 O ATOM 294 CG2 THR A 22 -1.128 22.410 5.906 1.00 0.00 C ATOM 0 H THR A 22 -0.369 19.890 4.894 1.00 0.00 H new ATOM 0 HA THR A 22 -2.172 20.212 6.904 1.00 0.00 H new ATOM 0 HB THR A 22 -3.167 22.031 5.394 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.914 22.410 3.448 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.121 23.409 5.470 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.345 22.481 6.972 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.152 21.946 5.764 1.00 0.00 H new ATOM 302 N SER A 23 -3.638 19.056 4.169 1.00 0.00 N ATOM 303 CA SER A 23 -4.842 18.404 3.668 1.00 0.00 C ATOM 304 C SER A 23 -4.503 17.071 3.008 1.00 0.00 C ATOM 305 O SER A 23 -5.266 16.560 2.187 1.00 0.00 O ATOM 306 CB SER A 23 -5.562 19.313 2.669 1.00 0.00 C ATOM 307 OG SER A 23 -6.060 20.477 3.305 1.00 0.00 O ATOM 0 H SER A 23 -2.893 19.155 3.479 1.00 0.00 H new ATOM 0 HA SER A 23 -5.501 18.213 4.515 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.876 19.596 1.871 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.384 18.769 2.205 1.00 0.00 H new ATOM 0 HG SER A 23 -6.967 20.307 3.636 1.00 0.00 H new ATOM 313 N SER A 24 -3.353 16.513 3.372 1.00 0.00 N ATOM 314 CA SER A 24 -2.910 15.241 2.813 1.00 0.00 C ATOM 315 C SER A 24 -1.958 14.530 3.770 1.00 0.00 C ATOM 316 O SER A 24 -1.646 15.039 4.847 1.00 0.00 O ATOM 317 CB SER A 24 -2.223 15.465 1.465 1.00 0.00 C ATOM 318 OG SER A 24 -2.884 16.469 0.715 1.00 0.00 O ATOM 0 H SER A 24 -2.711 16.922 4.051 1.00 0.00 H new ATOM 0 HA SER A 24 -3.787 14.611 2.666 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.184 15.752 1.626 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.212 14.533 0.900 1.00 0.00 H new ATOM 0 HG SER A 24 -2.424 16.594 -0.141 1.00 0.00 H new ATOM 324 N LEU A 25 -1.501 13.348 3.370 1.00 0.00 N ATOM 325 CA LEU A 25 -0.584 12.565 4.191 1.00 0.00 C ATOM 326 C LEU A 25 -0.111 11.322 3.443 1.00 0.00 C ATOM 327 O LEU A 25 -0.502 11.087 2.300 1.00 0.00 O ATOM 328 CB LEU A 25 -1.261 12.159 5.501 1.00 0.00 C ATOM 329 CG LEU A 25 -2.778 11.970 5.442 1.00 0.00 C ATOM 330 CD1 LEU A 25 -3.128 10.701 4.681 1.00 0.00 C ATOM 331 CD2 LEU A 25 -3.365 11.931 6.846 1.00 0.00 C ATOM 0 H LEU A 25 -1.750 12.911 2.483 1.00 0.00 H new ATOM 0 HA LEU A 25 0.284 13.185 4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.812 11.227 5.845 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.038 12.917 6.252 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.211 12.818 4.912 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.211 10.583 4.649 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.740 10.768 3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.684 9.841 5.183 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.445 11.796 6.785 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.926 11.102 7.401 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.145 12.867 7.359 1.00 0.00 H new ATOM 343 N ARG A 26 0.730 10.528 4.098 1.00 0.00 N ATOM 344 CA ARG A 26 1.255 9.309 3.496 1.00 0.00 C ATOM 345 C ARG A 26 1.205 8.149 4.486 1.00 0.00 C ATOM 346 O ARG A 26 1.422 8.331 5.685 1.00 0.00 O ATOM 347 CB ARG A 26 2.693 9.527 3.023 1.00 0.00 C ATOM 348 CG ARG A 26 3.277 8.336 2.280 1.00 0.00 C ATOM 349 CD ARG A 26 4.791 8.284 2.414 1.00 0.00 C ATOM 350 NE ARG A 26 5.360 7.122 1.736 1.00 0.00 N ATOM 351 CZ ARG A 26 5.460 7.017 0.416 1.00 0.00 C ATOM 352 NH1 ARG A 26 5.031 7.999 -0.365 1.00 0.00 N ATOM 353 NH2 ARG A 26 5.990 5.927 -0.126 1.00 0.00 N ATOM 0 H ARG A 26 1.062 10.707 5.046 1.00 0.00 H new ATOM 0 HA ARG A 26 0.631 9.060 2.638 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.724 10.401 2.372 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.321 9.749 3.886 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.844 7.415 2.670 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.006 8.395 1.226 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.223 9.194 1.998 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.061 8.256 3.470 1.00 0.00 H new ATOM 0 HE ARG A 26 5.699 6.349 2.308 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.623 8.838 0.048 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.109 7.916 -1.379 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.321 5.169 0.472 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.066 5.847 -1.140 1.00 0.00 H new ATOM 367 N LEU A 27 0.917 6.956 3.978 1.00 0.00 N ATOM 368 CA LEU A 27 0.838 5.765 4.817 1.00 0.00 C ATOM 369 C LEU A 27 1.990 4.811 4.519 1.00 0.00 C ATOM 370 O LEU A 27 2.609 4.882 3.458 1.00 0.00 O ATOM 371 CB LEU A 27 -0.499 5.053 4.600 1.00 0.00 C ATOM 372 CG LEU A 27 -1.697 5.631 5.352 1.00 0.00 C ATOM 373 CD1 LEU A 27 -3.000 5.154 4.729 1.00 0.00 C ATOM 374 CD2 LEU A 27 -1.638 5.250 6.824 1.00 0.00 C ATOM 0 H LEU A 27 0.734 6.787 2.989 1.00 0.00 H new ATOM 0 HA LEU A 27 0.911 6.078 5.858 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.725 5.064 3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.383 4.009 4.890 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.658 6.718 5.276 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.842 5.576 5.278 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.046 5.478 3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.047 4.066 4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.499 5.670 7.343 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.651 4.164 6.920 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.721 5.642 7.265 1.00 0.00 H new ATOM 386 N ASN A 28 2.271 3.918 5.462 1.00 0.00 N ATOM 387 CA ASN A 28 3.348 2.948 5.300 1.00 0.00 C ATOM 388 C ASN A 28 3.088 1.701 6.140 1.00 0.00 C ATOM 389 O ASN A 28 2.972 1.779 7.363 1.00 0.00 O ATOM 390 CB ASN A 28 4.688 3.572 5.693 1.00 0.00 C ATOM 391 CG ASN A 28 4.970 4.857 4.939 1.00 0.00 C ATOM 392 OD1 ASN A 28 5.651 4.852 3.913 1.00 0.00 O ATOM 393 ND2 ASN A 28 4.447 5.968 5.446 1.00 0.00 N ATOM 0 H ASN A 28 1.768 3.846 6.346 1.00 0.00 H new ATOM 0 HA ASN A 28 3.385 2.656 4.251 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.691 3.774 6.764 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.489 2.858 5.501 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.604 6.863 4.983 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.889 5.926 6.299 1.00 0.00 H new ATOM 400 N TRP A 29 3.001 0.555 5.476 1.00 0.00 N ATOM 401 CA TRP A 29 2.756 -0.709 6.162 1.00 0.00 C ATOM 402 C TRP A 29 3.652 -1.811 5.609 1.00 0.00 C ATOM 403 O TRP A 29 3.922 -1.859 4.410 1.00 0.00 O ATOM 404 CB TRP A 29 1.287 -1.111 6.025 1.00 0.00 C ATOM 405 CG TRP A 29 0.843 -1.262 4.601 1.00 0.00 C ATOM 406 CD1 TRP A 29 0.779 -2.420 3.880 1.00 0.00 C ATOM 407 CD2 TRP A 29 0.403 -0.217 3.726 1.00 0.00 C ATOM 408 NE1 TRP A 29 0.326 -2.158 2.609 1.00 0.00 N ATOM 409 CE2 TRP A 29 0.088 -0.815 2.490 1.00 0.00 C ATOM 410 CE3 TRP A 29 0.244 1.164 3.866 1.00 0.00 C ATOM 411 CZ2 TRP A 29 -0.376 -0.077 1.404 1.00 0.00 C ATOM 412 CZ3 TRP A 29 -0.216 1.895 2.787 1.00 0.00 C ATOM 413 CH2 TRP A 29 -0.523 1.273 1.569 1.00 0.00 C ATOM 0 H TRP A 29 3.096 0.474 4.464 1.00 0.00 H new ATOM 0 HA TRP A 29 2.990 -0.572 7.218 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.125 -2.052 6.550 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.665 -0.361 6.514 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.045 -3.398 4.253 1.00 0.00 H new ATOM 0 HE1 TRP A 29 0.189 -2.852 1.874 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.476 1.652 4.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.612 -0.554 0.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.341 2.963 2.884 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.883 1.871 0.745 1.00 0.00 H new ATOM 424 N GLU A 30 4.109 -2.695 6.491 1.00 0.00 N ATOM 425 CA GLU A 30 4.976 -3.797 6.088 1.00 0.00 C ATOM 426 C GLU A 30 4.176 -5.086 5.924 1.00 0.00 C ATOM 427 O GLU A 30 3.372 -5.444 6.785 1.00 0.00 O ATOM 428 CB GLU A 30 6.089 -4.001 7.117 1.00 0.00 C ATOM 429 CG GLU A 30 7.020 -5.155 6.785 1.00 0.00 C ATOM 430 CD GLU A 30 8.359 -5.046 7.489 1.00 0.00 C ATOM 431 OE1 GLU A 30 9.199 -4.237 7.044 1.00 0.00 O ATOM 432 OE2 GLU A 30 8.566 -5.770 8.485 1.00 0.00 O ATOM 0 H GLU A 30 3.894 -2.670 7.488 1.00 0.00 H new ATOM 0 HA GLU A 30 5.422 -3.543 5.127 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.673 -3.084 7.194 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.641 -4.177 8.095 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.542 -6.094 7.064 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.182 -5.188 5.708 1.00 0.00 H new ATOM 439 N ALA A 31 4.403 -5.778 4.813 1.00 0.00 N ATOM 440 CA ALA A 31 3.705 -7.028 4.536 1.00 0.00 C ATOM 441 C ALA A 31 4.626 -8.029 3.846 1.00 0.00 C ATOM 442 O ALA A 31 5.473 -7.669 3.029 1.00 0.00 O ATOM 443 CB ALA A 31 2.473 -6.767 3.683 1.00 0.00 C ATOM 0 H ALA A 31 5.064 -5.495 4.090 1.00 0.00 H new ATOM 0 HA ALA A 31 3.390 -7.458 5.487 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.962 -7.709 3.484 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.799 -6.094 4.213 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.774 -6.311 2.740 1.00 0.00 H new ATOM 449 N PRO A 32 4.458 -9.317 4.182 1.00 0.00 N ATOM 450 CA PRO A 32 5.265 -10.397 3.606 1.00 0.00 C ATOM 451 C PRO A 32 4.947 -10.637 2.134 1.00 0.00 C ATOM 452 O PRO A 32 3.981 -10.104 1.588 1.00 0.00 O ATOM 453 CB PRO A 32 4.875 -11.617 4.443 1.00 0.00 C ATOM 454 CG PRO A 32 3.507 -11.308 4.948 1.00 0.00 C ATOM 455 CD PRO A 32 3.467 -9.819 5.148 1.00 0.00 C ATOM 0 HA PRO A 32 6.330 -10.168 3.633 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.879 -12.527 3.843 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.574 -11.774 5.264 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.747 -11.627 4.235 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.308 -11.833 5.882 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.474 -9.414 4.952 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.727 -9.544 6.170 1.00 0.00 H new ATOM 463 N PRO A 33 5.776 -11.459 1.475 1.00 0.00 N ATOM 464 CA PRO A 33 5.602 -11.789 0.057 1.00 0.00 C ATOM 465 C PRO A 33 4.380 -12.667 -0.188 1.00 0.00 C ATOM 466 O PRO A 33 3.982 -13.449 0.675 1.00 0.00 O ATOM 467 CB PRO A 33 6.885 -12.549 -0.290 1.00 0.00 C ATOM 468 CG PRO A 33 7.349 -13.121 1.005 1.00 0.00 C ATOM 469 CD PRO A 33 6.948 -12.130 2.062 1.00 0.00 C ATOM 0 HA PRO A 33 5.439 -10.900 -0.552 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.695 -13.333 -1.023 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.634 -11.885 -0.720 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.892 -14.093 1.188 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.429 -13.272 1.001 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.700 -12.623 3.002 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.750 -11.424 2.275 1.00 0.00 H new ATOM 477 N GLY A 34 3.788 -12.533 -1.371 1.00 0.00 N ATOM 478 CA GLY A 34 2.617 -13.321 -1.708 1.00 0.00 C ATOM 479 C GLY A 34 1.576 -13.314 -0.606 1.00 0.00 C ATOM 480 O GLY A 34 0.861 -14.296 -0.412 1.00 0.00 O ATOM 0 H GLY A 34 4.099 -11.893 -2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.173 -12.933 -2.625 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.920 -14.348 -1.911 1.00 0.00 H new ATOM 484 N ALA A 35 1.493 -12.203 0.119 1.00 0.00 N ATOM 485 CA ALA A 35 0.532 -12.072 1.208 1.00 0.00 C ATOM 486 C ALA A 35 -0.854 -11.724 0.677 1.00 0.00 C ATOM 487 O ALA A 35 -1.825 -12.437 0.933 1.00 0.00 O ATOM 488 CB ALA A 35 1.000 -11.018 2.200 1.00 0.00 C ATOM 0 H ALA A 35 2.079 -11.381 -0.028 1.00 0.00 H new ATOM 0 HA ALA A 35 0.466 -13.032 1.720 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.273 -10.930 3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.966 -11.309 2.611 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.096 -10.058 1.693 1.00 0.00 H new ATOM 494 N PHE A 36 -0.941 -10.623 -0.062 1.00 0.00 N ATOM 495 CA PHE A 36 -2.209 -10.179 -0.628 1.00 0.00 C ATOM 496 C PHE A 36 -2.023 -9.682 -2.058 1.00 0.00 C ATOM 497 O PHE A 36 -1.010 -9.063 -2.385 1.00 0.00 O ATOM 498 CB PHE A 36 -2.816 -9.070 0.235 1.00 0.00 C ATOM 499 CG PHE A 36 -2.631 -9.288 1.709 1.00 0.00 C ATOM 500 CD1 PHE A 36 -3.545 -10.039 2.432 1.00 0.00 C ATOM 501 CD2 PHE A 36 -1.543 -8.744 2.372 1.00 0.00 C ATOM 502 CE1 PHE A 36 -3.377 -10.240 3.789 1.00 0.00 C ATOM 503 CE2 PHE A 36 -1.370 -8.942 3.729 1.00 0.00 C ATOM 504 CZ PHE A 36 -2.288 -9.692 4.438 1.00 0.00 C ATOM 0 H PHE A 36 -0.147 -10.021 -0.283 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.889 -11.031 -0.645 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.365 -8.117 -0.043 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.881 -8.994 0.018 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.397 -10.472 1.929 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.821 -8.158 1.822 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.097 -10.825 4.342 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.518 -8.511 4.234 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.154 -9.850 5.498 1.00 0.00 H new ATOM 514 N ASP A 37 -3.007 -9.958 -2.907 1.00 0.00 N ATOM 515 CA ASP A 37 -2.953 -9.539 -4.303 1.00 0.00 C ATOM 516 C ASP A 37 -2.849 -8.021 -4.411 1.00 0.00 C ATOM 517 O ASP A 37 -2.047 -7.498 -5.184 1.00 0.00 O ATOM 518 CB ASP A 37 -4.191 -10.033 -5.053 1.00 0.00 C ATOM 519 CG ASP A 37 -4.130 -9.723 -6.536 1.00 0.00 C ATOM 520 OD1 ASP A 37 -3.685 -8.613 -6.892 1.00 0.00 O ATOM 521 OD2 ASP A 37 -4.530 -10.592 -7.341 1.00 0.00 O ATOM 0 H ASP A 37 -3.852 -10.470 -2.653 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.064 -9.979 -4.755 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.292 -11.109 -4.913 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.081 -9.571 -4.624 1.00 0.00 H new ATOM 526 N SER A 38 -3.665 -7.320 -3.631 1.00 0.00 N ATOM 527 CA SER A 38 -3.668 -5.862 -3.642 1.00 0.00 C ATOM 528 C SER A 38 -4.019 -5.308 -2.265 1.00 0.00 C ATOM 529 O SER A 38 -4.198 -6.061 -1.307 1.00 0.00 O ATOM 530 CB SER A 38 -4.662 -5.341 -4.682 1.00 0.00 C ATOM 531 OG SER A 38 -5.865 -6.088 -4.657 1.00 0.00 O ATOM 0 H SER A 38 -4.333 -7.738 -2.983 1.00 0.00 H new ATOM 0 HA SER A 38 -2.666 -5.524 -3.905 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.879 -4.290 -4.488 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.216 -5.397 -5.675 1.00 0.00 H new ATOM 0 HG SER A 38 -6.484 -5.734 -5.329 1.00 0.00 H new ATOM 537 N PHE A 39 -4.115 -3.986 -2.172 1.00 0.00 N ATOM 538 CA PHE A 39 -4.444 -3.330 -0.912 1.00 0.00 C ATOM 539 C PHE A 39 -5.475 -2.226 -1.127 1.00 0.00 C ATOM 540 O PHE A 39 -5.217 -1.246 -1.828 1.00 0.00 O ATOM 541 CB PHE A 39 -3.182 -2.746 -0.273 1.00 0.00 C ATOM 542 CG PHE A 39 -2.401 -3.746 0.532 1.00 0.00 C ATOM 543 CD1 PHE A 39 -2.979 -4.387 1.615 1.00 0.00 C ATOM 544 CD2 PHE A 39 -1.088 -4.044 0.205 1.00 0.00 C ATOM 545 CE1 PHE A 39 -2.263 -5.307 2.358 1.00 0.00 C ATOM 546 CE2 PHE A 39 -0.367 -4.964 0.943 1.00 0.00 C ATOM 547 CZ PHE A 39 -0.955 -5.595 2.021 1.00 0.00 C ATOM 0 H PHE A 39 -3.970 -3.348 -2.954 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.871 -4.077 -0.242 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.541 -2.342 -1.057 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.463 -1.912 0.371 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.002 -4.165 1.882 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.622 -3.552 -0.636 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.726 -5.800 3.200 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.655 -5.189 0.677 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.393 -6.313 2.600 1.00 0.00 H new ATOM 557 N LEU A 40 -6.645 -2.392 -0.519 1.00 0.00 N ATOM 558 CA LEU A 40 -7.718 -1.411 -0.643 1.00 0.00 C ATOM 559 C LEU A 40 -7.827 -0.562 0.619 1.00 0.00 C ATOM 560 O LEU A 40 -8.287 -1.033 1.660 1.00 0.00 O ATOM 561 CB LEU A 40 -9.049 -2.113 -0.916 1.00 0.00 C ATOM 562 CG LEU A 40 -10.181 -1.227 -1.437 1.00 0.00 C ATOM 563 CD1 LEU A 40 -9.789 -0.583 -2.758 1.00 0.00 C ATOM 564 CD2 LEU A 40 -11.461 -2.035 -1.594 1.00 0.00 C ATOM 0 H LEU A 40 -6.875 -3.196 0.065 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.482 -0.755 -1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.875 -2.909 -1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.382 -2.588 0.007 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.362 -0.435 -0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.607 0.044 -3.114 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.898 0.029 -2.614 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.581 -1.360 -3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.256 -1.389 -1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.294 -2.848 -2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.751 -2.448 -0.628 1.00 0.00 H new ATOM 576 N LEU A 41 -7.403 0.694 0.520 1.00 0.00 N ATOM 577 CA LEU A 41 -7.456 1.611 1.653 1.00 0.00 C ATOM 578 C LEU A 41 -8.743 2.428 1.633 1.00 0.00 C ATOM 579 O LEU A 41 -9.023 3.140 0.668 1.00 0.00 O ATOM 580 CB LEU A 41 -6.244 2.545 1.634 1.00 0.00 C ATOM 581 CG LEU A 41 -6.243 3.663 2.677 1.00 0.00 C ATOM 582 CD1 LEU A 41 -5.643 3.172 3.985 1.00 0.00 C ATOM 583 CD2 LEU A 41 -5.481 4.874 2.160 1.00 0.00 C ATOM 0 H LEU A 41 -7.019 1.100 -0.333 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.438 1.020 2.569 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.345 1.944 1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.175 2.998 0.645 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.275 3.961 2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.651 3.981 4.715 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.231 2.336 4.364 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.617 2.846 3.815 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.491 5.660 2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.451 4.591 1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.955 5.240 1.249 1.00 0.00 H new ATOM 595 N ARG A 42 -9.522 2.323 2.704 1.00 0.00 N ATOM 596 CA ARG A 42 -10.779 3.053 2.810 1.00 0.00 C ATOM 597 C ARG A 42 -10.688 4.141 3.877 1.00 0.00 C ATOM 598 O ARG A 42 -10.506 3.851 5.060 1.00 0.00 O ATOM 599 CB ARG A 42 -11.924 2.094 3.141 1.00 0.00 C ATOM 600 CG ARG A 42 -12.609 1.517 1.913 1.00 0.00 C ATOM 601 CD ARG A 42 -13.375 0.247 2.247 1.00 0.00 C ATOM 602 NE ARG A 42 -14.388 0.473 3.275 1.00 0.00 N ATOM 603 CZ ARG A 42 -15.311 -0.423 3.607 1.00 0.00 C ATOM 604 NH1 ARG A 42 -15.347 -1.599 2.996 1.00 0.00 N ATOM 605 NH2 ARG A 42 -16.198 -0.143 4.553 1.00 0.00 N ATOM 0 H ARG A 42 -9.305 1.739 3.511 1.00 0.00 H new ATOM 0 HA ARG A 42 -10.977 3.527 1.848 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.537 1.276 3.749 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.663 2.619 3.746 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.293 2.256 1.495 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.864 1.303 1.147 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.853 -0.136 1.345 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.677 -0.518 2.588 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.387 1.368 3.765 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.665 -1.817 2.269 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -16.056 -2.285 3.252 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.171 0.760 5.026 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.907 -0.831 4.808 1.00 0.00 H new ATOM 619 N PHE A 43 -10.815 5.393 3.450 1.00 0.00 N ATOM 620 CA PHE A 43 -10.746 6.524 4.368 1.00 0.00 C ATOM 621 C PHE A 43 -12.098 7.223 4.472 1.00 0.00 C ATOM 622 O PHE A 43 -12.593 7.791 3.499 1.00 0.00 O ATOM 623 CB PHE A 43 -9.679 7.518 3.906 1.00 0.00 C ATOM 624 CG PHE A 43 -9.654 7.722 2.418 1.00 0.00 C ATOM 625 CD1 PHE A 43 -9.210 6.716 1.575 1.00 0.00 C ATOM 626 CD2 PHE A 43 -10.075 8.919 1.862 1.00 0.00 C ATOM 627 CE1 PHE A 43 -9.186 6.900 0.205 1.00 0.00 C ATOM 628 CE2 PHE A 43 -10.053 9.109 0.493 1.00 0.00 C ATOM 629 CZ PHE A 43 -9.607 8.098 -0.336 1.00 0.00 C ATOM 0 H PHE A 43 -10.966 5.650 2.475 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.477 6.144 5.354 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.852 8.477 4.393 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.700 7.166 4.233 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.879 5.777 1.993 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.424 9.713 2.506 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.838 6.107 -0.441 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -10.384 10.047 0.072 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.588 8.245 -1.406 1.00 0.00 H new ATOM 639 N GLY A 44 -12.692 7.177 5.661 1.00 0.00 N ATOM 640 CA GLY A 44 -13.981 7.808 5.872 1.00 0.00 C ATOM 641 C GLY A 44 -13.961 8.798 7.020 1.00 0.00 C ATOM 642 O GLY A 44 -13.118 8.709 7.912 1.00 0.00 O ATOM 0 H GLY A 44 -12.303 6.714 6.482 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.285 8.321 4.959 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.729 7.041 6.071 1.00 0.00 H new ATOM 646 N VAL A 45 -14.892 9.747 6.997 1.00 0.00 N ATOM 647 CA VAL A 45 -14.978 10.759 8.043 1.00 0.00 C ATOM 648 C VAL A 45 -15.657 10.204 9.290 1.00 0.00 C ATOM 649 O VAL A 45 -16.846 9.883 9.289 1.00 0.00 O ATOM 650 CB VAL A 45 -15.751 12.001 7.560 1.00 0.00 C ATOM 651 CG1 VAL A 45 -15.758 13.077 8.636 1.00 0.00 C ATOM 652 CG2 VAL A 45 -15.151 12.532 6.267 1.00 0.00 C ATOM 0 H VAL A 45 -15.597 9.836 6.265 1.00 0.00 H new ATOM 0 HA VAL A 45 -13.956 11.049 8.288 1.00 0.00 H new ATOM 0 HB VAL A 45 -16.783 11.712 7.363 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -16.308 13.947 8.277 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -16.238 12.690 9.535 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -14.733 13.367 8.868 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -15.709 13.409 5.940 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -14.110 12.806 6.435 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -15.204 11.761 5.498 1.00 0.00 H new ATOM 662 N PRO A 46 -14.886 10.088 10.381 1.00 0.00 N ATOM 663 CA PRO A 46 -15.392 9.572 11.657 1.00 0.00 C ATOM 664 C PRO A 46 -16.364 10.536 12.327 1.00 0.00 C ATOM 665 O PRO A 46 -15.963 11.581 12.839 1.00 0.00 O ATOM 666 CB PRO A 46 -14.126 9.415 12.503 1.00 0.00 C ATOM 667 CG PRO A 46 -13.161 10.392 11.926 1.00 0.00 C ATOM 668 CD PRO A 46 -13.460 10.451 10.454 1.00 0.00 C ATOM 0 HA PRO A 46 -15.953 8.646 11.529 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.323 9.627 13.554 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.738 8.398 12.450 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -13.276 11.373 12.387 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -12.133 10.076 12.103 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -13.277 11.445 10.046 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.839 9.756 9.889 1.00 0.00 H new ATOM 923 N GLU A 62 -11.373 5.397 -2.028 1.00 0.00 N ATOM 924 CA GLU A 62 -10.466 4.320 -1.651 1.00 0.00 C ATOM 925 C GLU A 62 -9.282 4.244 -2.611 1.00 0.00 C ATOM 926 O GLU A 62 -9.394 4.605 -3.783 1.00 0.00 O ATOM 927 CB GLU A 62 -11.209 2.982 -1.633 1.00 0.00 C ATOM 928 CG GLU A 62 -12.132 2.782 -2.823 1.00 0.00 C ATOM 929 CD GLU A 62 -12.630 1.354 -2.942 1.00 0.00 C ATOM 930 OE1 GLU A 62 -13.061 0.788 -1.916 1.00 0.00 O ATOM 931 OE2 GLU A 62 -12.588 0.803 -4.062 1.00 0.00 O ATOM 0 HA GLU A 62 -10.087 4.531 -0.651 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.480 2.172 -1.609 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.793 2.913 -0.715 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.985 3.454 -2.733 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.605 3.056 -3.737 1.00 0.00 H new ATOM 938 N LEU A 63 -8.148 3.773 -2.104 1.00 0.00 N ATOM 939 CA LEU A 63 -6.941 3.650 -2.915 1.00 0.00 C ATOM 940 C LEU A 63 -6.682 2.194 -3.288 1.00 0.00 C ATOM 941 O LEU A 63 -7.131 1.278 -2.599 1.00 0.00 O ATOM 942 CB LEU A 63 -5.737 4.218 -2.162 1.00 0.00 C ATOM 943 CG LEU A 63 -4.585 4.730 -3.028 1.00 0.00 C ATOM 944 CD1 LEU A 63 -5.033 5.916 -3.867 1.00 0.00 C ATOM 945 CD2 LEU A 63 -3.393 5.107 -2.160 1.00 0.00 C ATOM 0 H LEU A 63 -8.039 3.470 -1.136 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.089 4.220 -3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.082 5.037 -1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.351 3.444 -1.499 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.280 3.930 -3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.200 6.266 -4.476 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.855 5.613 -4.516 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.366 6.720 -3.211 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.582 5.469 -2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.685 5.890 -1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.056 4.232 -1.604 1.00 0.00 H new ATOM 957 N MET A 64 -5.953 1.989 -4.380 1.00 0.00 N ATOM 958 CA MET A 64 -5.630 0.643 -4.841 1.00 0.00 C ATOM 959 C MET A 64 -4.128 0.485 -5.050 1.00 0.00 C ATOM 960 O MET A 64 -3.537 1.145 -5.905 1.00 0.00 O ATOM 961 CB MET A 64 -6.373 0.336 -6.143 1.00 0.00 C ATOM 962 CG MET A 64 -6.599 -1.148 -6.378 1.00 0.00 C ATOM 963 SD MET A 64 -7.675 -1.892 -5.138 1.00 0.00 S ATOM 964 CE MET A 64 -8.804 -2.814 -6.178 1.00 0.00 C ATOM 0 H MET A 64 -5.575 2.737 -4.962 1.00 0.00 H new ATOM 0 HA MET A 64 -5.948 -0.063 -4.074 1.00 0.00 H new ATOM 0 HB2 MET A 64 -7.337 0.844 -6.130 1.00 0.00 H new ATOM 0 HB3 MET A 64 -5.808 0.746 -6.980 1.00 0.00 H new ATOM 0 HG2 MET A 64 -7.036 -1.293 -7.366 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.638 -1.663 -6.375 1.00 0.00 H new ATOM 0 HE1 MET A 64 -9.533 -3.331 -5.554 1.00 0.00 H new ATOM 0 HE2 MET A 64 -9.322 -2.129 -6.850 1.00 0.00 H new ATOM 0 HE3 MET A 64 -8.245 -3.544 -6.764 1.00 0.00 H new ATOM 974 N VAL A 65 -3.514 -0.392 -4.262 1.00 0.00 N ATOM 975 CA VAL A 65 -2.080 -0.637 -4.361 1.00 0.00 C ATOM 976 C VAL A 65 -1.768 -2.125 -4.249 1.00 0.00 C ATOM 977 O VAL A 65 -2.328 -2.842 -3.419 1.00 0.00 O ATOM 978 CB VAL A 65 -1.305 0.123 -3.269 1.00 0.00 C ATOM 979 CG1 VAL A 65 0.080 0.509 -3.768 1.00 0.00 C ATOM 980 CG2 VAL A 65 -2.081 1.353 -2.822 1.00 0.00 C ATOM 0 H VAL A 65 -3.988 -0.945 -3.548 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.763 -0.275 -5.339 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.185 -0.535 -2.408 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.613 1.045 -2.983 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.635 -0.391 -4.034 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.015 1.149 -4.645 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.518 1.878 -2.050 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.234 2.016 -3.674 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.048 1.048 -2.422 1.00 0.00 H new ATOM 990 N PRO A 66 -0.851 -2.603 -5.103 1.00 0.00 N ATOM 991 CA PRO A 66 -0.442 -4.011 -5.119 1.00 0.00 C ATOM 992 C PRO A 66 0.367 -4.393 -3.884 1.00 0.00 C ATOM 993 O PRO A 66 1.052 -3.558 -3.296 1.00 0.00 O ATOM 994 CB PRO A 66 0.423 -4.114 -6.378 1.00 0.00 C ATOM 995 CG PRO A 66 0.939 -2.734 -6.597 1.00 0.00 C ATOM 996 CD PRO A 66 -0.143 -1.806 -6.119 1.00 0.00 C ATOM 0 HA PRO A 66 -1.299 -4.685 -5.117 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.238 -4.824 -6.241 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.160 -4.459 -7.232 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.865 -2.571 -6.045 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.162 -2.563 -7.650 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.271 -0.891 -5.695 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.806 -1.510 -6.932 1.00 0.00 H new ATOM 1004 N GLY A 67 0.282 -5.662 -3.497 1.00 0.00 N ATOM 1005 CA GLY A 67 1.011 -6.133 -2.334 1.00 0.00 C ATOM 1006 C GLY A 67 2.450 -5.657 -2.320 1.00 0.00 C ATOM 1007 O GLY A 67 2.954 -5.209 -1.289 1.00 0.00 O ATOM 0 H GLY A 67 -0.279 -6.372 -3.968 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.509 -5.788 -1.430 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.992 -7.223 -2.314 1.00 0.00 H new ATOM 1011 N THR A 68 3.115 -5.755 -3.467 1.00 0.00 N ATOM 1012 CA THR A 68 4.506 -5.333 -3.582 1.00 0.00 C ATOM 1013 C THR A 68 4.685 -3.895 -3.110 1.00 0.00 C ATOM 1014 O THR A 68 5.748 -3.523 -2.612 1.00 0.00 O ATOM 1015 CB THR A 68 5.010 -5.452 -5.032 1.00 0.00 C ATOM 1016 OG1 THR A 68 6.408 -5.148 -5.091 1.00 0.00 O ATOM 1017 CG2 THR A 68 4.243 -4.514 -5.951 1.00 0.00 C ATOM 0 H THR A 68 2.713 -6.123 -4.329 1.00 0.00 H new ATOM 0 HA THR A 68 5.092 -5.997 -2.946 1.00 0.00 H new ATOM 0 HB THR A 68 4.847 -6.476 -5.367 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.721 -5.227 -6.016 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.617 -4.616 -6.970 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.183 -4.767 -5.927 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.378 -3.486 -5.616 1.00 0.00 H new ATOM 1025 N ARG A 69 3.639 -3.090 -3.268 1.00 0.00 N ATOM 1026 CA ARG A 69 3.683 -1.692 -2.858 1.00 0.00 C ATOM 1027 C ARG A 69 2.798 -1.456 -1.637 1.00 0.00 C ATOM 1028 O ARG A 69 1.602 -1.746 -1.658 1.00 0.00 O ATOM 1029 CB ARG A 69 3.235 -0.787 -4.008 1.00 0.00 C ATOM 1030 CG ARG A 69 4.382 -0.282 -4.867 1.00 0.00 C ATOM 1031 CD ARG A 69 3.884 0.619 -5.987 1.00 0.00 C ATOM 1032 NE ARG A 69 4.980 1.310 -6.661 1.00 0.00 N ATOM 1033 CZ ARG A 69 4.902 1.774 -7.904 1.00 0.00 C ATOM 1034 NH1 ARG A 69 3.786 1.622 -8.603 1.00 0.00 N ATOM 1035 NH2 ARG A 69 5.942 2.392 -8.448 1.00 0.00 N ATOM 0 H ARG A 69 2.751 -3.382 -3.677 1.00 0.00 H new ATOM 0 HA ARG A 69 4.712 -1.449 -2.593 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.534 -1.334 -4.638 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.696 0.067 -3.598 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.090 0.266 -4.245 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.920 -1.129 -5.292 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.330 0.023 -6.713 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.188 1.353 -5.580 1.00 0.00 H new ATOM 0 HE ARG A 69 5.853 1.444 -6.150 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.984 1.148 -8.187 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.729 1.979 -9.557 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.802 2.511 -7.912 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.882 2.748 -9.402 1.00 0.00 H new ATOM 1049 N HIS A 70 3.396 -0.928 -0.574 1.00 0.00 N ATOM 1050 CA HIS A 70 2.663 -0.652 0.657 1.00 0.00 C ATOM 1051 C HIS A 70 2.674 0.840 0.974 1.00 0.00 C ATOM 1052 O HIS A 70 3.280 1.271 1.955 1.00 0.00 O ATOM 1053 CB HIS A 70 3.267 -1.438 1.822 1.00 0.00 C ATOM 1054 CG HIS A 70 3.648 -2.841 1.464 1.00 0.00 C ATOM 1055 ND1 HIS A 70 4.847 -3.165 0.864 1.00 0.00 N ATOM 1056 CD2 HIS A 70 2.983 -4.008 1.626 1.00 0.00 C ATOM 1057 CE1 HIS A 70 4.902 -4.471 0.671 1.00 0.00 C ATOM 1058 NE2 HIS A 70 3.783 -5.006 1.125 1.00 0.00 N ATOM 0 H HIS A 70 4.385 -0.683 -0.540 1.00 0.00 H new ATOM 0 HA HIS A 70 1.629 -0.966 0.513 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.150 -0.912 2.185 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.550 -1.463 2.643 1.00 0.00 H new ATOM 0 HD1 HIS A 70 5.577 -2.500 0.609 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.005 -4.132 2.067 1.00 0.00 H new ATOM 0 HE1 HIS A 70 5.722 -5.009 0.219 1.00 0.00 H new ATOM 1067 N SER A 71 2.002 1.623 0.137 1.00 0.00 N ATOM 1068 CA SER A 71 1.938 3.068 0.326 1.00 0.00 C ATOM 1069 C SER A 71 0.553 3.601 -0.028 1.00 0.00 C ATOM 1070 O SER A 71 -0.114 3.083 -0.923 1.00 0.00 O ATOM 1071 CB SER A 71 2.999 3.762 -0.531 1.00 0.00 C ATOM 1072 OG SER A 71 2.734 3.586 -1.912 1.00 0.00 O ATOM 0 H SER A 71 1.494 1.282 -0.679 1.00 0.00 H new ATOM 0 HA SER A 71 2.133 3.282 1.377 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.023 4.826 -0.295 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.984 3.360 -0.292 1.00 0.00 H new ATOM 0 HG SER A 71 3.425 4.040 -2.438 1.00 0.00 H new ATOM 1078 N ALA A 72 0.128 4.641 0.683 1.00 0.00 N ATOM 1079 CA ALA A 72 -1.176 5.247 0.444 1.00 0.00 C ATOM 1080 C ALA A 72 -1.158 6.736 0.773 1.00 0.00 C ATOM 1081 O ALA A 72 -0.820 7.131 1.889 1.00 0.00 O ATOM 1082 CB ALA A 72 -2.245 4.537 1.261 1.00 0.00 C ATOM 0 H ALA A 72 0.668 5.081 1.429 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.411 5.139 -0.615 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.214 5.000 1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.283 3.486 0.975 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.005 4.616 2.321 1.00 0.00 H new ATOM 1088 N VAL A 73 -1.522 7.558 -0.206 1.00 0.00 N ATOM 1089 CA VAL A 73 -1.548 9.004 -0.020 1.00 0.00 C ATOM 1090 C VAL A 73 -2.916 9.579 -0.371 1.00 0.00 C ATOM 1091 O VAL A 73 -3.367 9.484 -1.513 1.00 0.00 O ATOM 1092 CB VAL A 73 -0.475 9.700 -0.878 1.00 0.00 C ATOM 1093 CG1 VAL A 73 -0.548 11.209 -0.705 1.00 0.00 C ATOM 1094 CG2 VAL A 73 0.910 9.181 -0.523 1.00 0.00 C ATOM 0 H VAL A 73 -1.803 7.247 -1.136 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.338 9.191 1.033 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.667 9.469 -1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.218 11.683 -1.319 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.531 11.563 -1.014 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.383 11.464 0.342 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.656 9.684 -1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.114 9.380 0.529 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.954 8.107 -0.704 1.00 0.00 H new ATOM 1104 N LEU A 74 -3.572 10.176 0.618 1.00 0.00 N ATOM 1105 CA LEU A 74 -4.889 10.768 0.414 1.00 0.00 C ATOM 1106 C LEU A 74 -4.785 12.278 0.227 1.00 0.00 C ATOM 1107 O LEU A 74 -3.964 12.937 0.865 1.00 0.00 O ATOM 1108 CB LEU A 74 -5.801 10.452 1.601 1.00 0.00 C ATOM 1109 CG LEU A 74 -5.939 8.973 1.966 1.00 0.00 C ATOM 1110 CD1 LEU A 74 -6.279 8.149 0.735 1.00 0.00 C ATOM 1111 CD2 LEU A 74 -4.661 8.463 2.616 1.00 0.00 C ATOM 0 H LEU A 74 -3.213 10.263 1.569 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.317 10.337 -0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.427 10.988 2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.794 10.847 1.386 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.754 8.870 2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.373 7.100 1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.221 8.498 0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.487 8.258 -0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.777 7.409 2.869 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.828 8.580 1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.461 9.034 3.523 1.00 0.00 H new ATOM 1123 N ARG A 75 -5.624 12.820 -0.650 1.00 0.00 N ATOM 1124 CA ARG A 75 -5.626 14.253 -0.920 1.00 0.00 C ATOM 1125 C ARG A 75 -7.012 14.848 -0.686 1.00 0.00 C ATOM 1126 O ARG A 75 -7.984 14.121 -0.479 1.00 0.00 O ATOM 1127 CB ARG A 75 -5.179 14.523 -2.358 1.00 0.00 C ATOM 1128 CG ARG A 75 -3.737 14.130 -2.631 1.00 0.00 C ATOM 1129 CD ARG A 75 -3.354 14.388 -4.080 1.00 0.00 C ATOM 1130 NE ARG A 75 -2.849 15.743 -4.280 1.00 0.00 N ATOM 1131 CZ ARG A 75 -2.553 16.249 -5.472 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -2.711 15.515 -6.565 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -2.098 17.491 -5.572 1.00 0.00 N ATOM 0 H ARG A 75 -6.311 12.289 -1.185 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.925 14.728 -0.234 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.831 13.978 -3.041 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.305 15.584 -2.576 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.075 14.692 -1.973 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.596 13.074 -2.399 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.595 13.669 -4.388 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.223 14.227 -4.719 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.716 16.334 -3.459 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.061 14.560 -6.492 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.483 15.906 -7.479 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.975 18.058 -4.733 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.871 17.879 -6.488 1.00 0.00 H new ATOM 1147 N ASP A 76 -7.095 16.173 -0.722 1.00 0.00 N ATOM 1148 CA ASP A 76 -8.361 16.866 -0.515 1.00 0.00 C ATOM 1149 C ASP A 76 -8.913 16.584 0.879 1.00 0.00 C ATOM 1150 O ASP A 76 -10.126 16.493 1.072 1.00 0.00 O ATOM 1151 CB ASP A 76 -9.378 16.442 -1.575 1.00 0.00 C ATOM 1152 CG ASP A 76 -10.561 17.387 -1.653 1.00 0.00 C ATOM 1153 OD1 ASP A 76 -10.404 18.567 -1.275 1.00 0.00 O ATOM 1154 OD2 ASP A 76 -11.644 16.946 -2.093 1.00 0.00 O ATOM 0 H ASP A 76 -6.300 16.789 -0.893 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.180 17.937 -0.605 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -8.888 16.397 -2.547 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.734 15.436 -1.351 1.00 0.00 H new ATOM 1159 N LEU A 77 -8.015 16.445 1.849 1.00 0.00 N ATOM 1160 CA LEU A 77 -8.412 16.172 3.226 1.00 0.00 C ATOM 1161 C LEU A 77 -8.672 17.469 3.985 1.00 0.00 C ATOM 1162 O LEU A 77 -8.250 18.544 3.559 1.00 0.00 O ATOM 1163 CB LEU A 77 -7.330 15.359 3.937 1.00 0.00 C ATOM 1164 CG LEU A 77 -6.922 14.048 3.263 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -6.086 13.199 4.208 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -8.152 13.282 2.800 1.00 0.00 C ATOM 0 H LEU A 77 -7.007 16.517 1.707 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.336 15.594 3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.442 15.984 4.038 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.677 15.133 4.945 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.315 14.284 2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.805 12.270 3.711 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.186 13.746 4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.666 12.971 5.102 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.843 12.352 2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.785 13.057 3.658 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.711 13.888 2.087 1.00 0.00 H new ATOM 1178 N ARG A 78 -9.367 17.360 5.112 1.00 0.00 N ATOM 1179 CA ARG A 78 -9.682 18.524 5.932 1.00 0.00 C ATOM 1180 C ARG A 78 -8.467 18.960 6.746 1.00 0.00 C ATOM 1181 O ARG A 78 -7.566 18.164 7.010 1.00 0.00 O ATOM 1182 CB ARG A 78 -10.852 18.214 6.867 1.00 0.00 C ATOM 1183 CG ARG A 78 -11.693 19.431 7.214 1.00 0.00 C ATOM 1184 CD ARG A 78 -12.711 19.733 6.126 1.00 0.00 C ATOM 1185 NE ARG A 78 -13.411 20.993 6.365 1.00 0.00 N ATOM 1186 CZ ARG A 78 -14.233 21.556 5.486 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -14.456 20.974 4.316 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -14.832 22.703 5.777 1.00 0.00 N ATOM 0 H ARG A 78 -9.723 16.477 5.479 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.964 19.340 5.267 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.490 17.463 6.401 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.465 17.776 7.787 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.209 19.261 8.159 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.044 20.295 7.356 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.207 19.776 5.160 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.436 18.920 6.072 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.260 21.467 7.256 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.996 20.092 4.089 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.087 21.408 3.643 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.662 23.154 6.676 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.463 23.135 5.102 1.00 0.00 H new ATOM 1202 N SER A 79 -8.451 20.229 7.140 1.00 0.00 N ATOM 1203 CA SER A 79 -7.345 20.773 7.920 1.00 0.00 C ATOM 1204 C SER A 79 -7.579 20.562 9.413 1.00 0.00 C ATOM 1205 O SER A 79 -8.671 20.807 9.923 1.00 0.00 O ATOM 1206 CB SER A 79 -7.170 22.264 7.625 1.00 0.00 C ATOM 1207 OG SER A 79 -8.193 23.029 8.238 1.00 0.00 O ATOM 0 H SER A 79 -9.191 20.900 6.932 1.00 0.00 H new ATOM 0 HA SER A 79 -6.436 20.245 7.634 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.197 22.597 7.985 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.184 22.429 6.548 1.00 0.00 H new ATOM 0 HG SER A 79 -8.057 23.978 8.036 1.00 0.00 H new ATOM 1213 N GLY A 80 -6.542 20.106 10.109 1.00 0.00 N ATOM 1214 CA GLY A 80 -6.653 19.869 11.537 1.00 0.00 C ATOM 1215 C GLY A 80 -7.810 18.954 11.884 1.00 0.00 C ATOM 1216 O GLY A 80 -8.579 19.234 12.805 1.00 0.00 O ATOM 0 H GLY A 80 -5.627 19.896 9.710 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.725 19.430 11.903 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.780 20.821 12.052 1.00 0.00 H new ATOM 1220 N THR A 81 -7.937 17.856 11.145 1.00 0.00 N ATOM 1221 CA THR A 81 -9.011 16.898 11.378 1.00 0.00 C ATOM 1222 C THR A 81 -8.468 15.476 11.471 1.00 0.00 C ATOM 1223 O THR A 81 -7.386 15.180 10.964 1.00 0.00 O ATOM 1224 CB THR A 81 -10.070 16.959 10.261 1.00 0.00 C ATOM 1225 OG1 THR A 81 -10.751 18.218 10.301 1.00 0.00 O ATOM 1226 CG2 THR A 81 -11.076 15.828 10.408 1.00 0.00 C ATOM 0 H THR A 81 -7.309 17.608 10.380 1.00 0.00 H new ATOM 0 HA THR A 81 -9.477 17.169 12.325 1.00 0.00 H new ATOM 0 HB THR A 81 -9.563 16.851 9.302 1.00 0.00 H new ATOM 0 HG1 THR A 81 -10.101 18.945 10.204 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.814 15.891 9.608 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.558 14.871 10.349 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.578 15.910 11.372 1.00 0.00 H new ATOM 1234 N LEU A 82 -9.226 14.601 12.122 1.00 0.00 N ATOM 1235 CA LEU A 82 -8.821 13.208 12.280 1.00 0.00 C ATOM 1236 C LEU A 82 -9.563 12.310 11.296 1.00 0.00 C ATOM 1237 O LEU A 82 -10.793 12.288 11.266 1.00 0.00 O ATOM 1238 CB LEU A 82 -9.084 12.740 13.713 1.00 0.00 C ATOM 1239 CG LEU A 82 -8.403 11.436 14.129 1.00 0.00 C ATOM 1240 CD1 LEU A 82 -8.812 10.301 13.203 1.00 0.00 C ATOM 1241 CD2 LEU A 82 -6.890 11.603 14.135 1.00 0.00 C ATOM 0 H LEU A 82 -10.124 14.831 12.549 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.753 13.140 12.071 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.764 13.527 14.395 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.160 12.622 13.844 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.725 11.187 15.140 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.317 9.381 13.515 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.893 10.166 13.249 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.520 10.542 12.181 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.422 10.665 14.433 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.550 11.877 13.136 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.613 12.387 14.840 1.00 0.00 H new ATOM 1253 N TYR A 83 -8.806 11.569 10.494 1.00 0.00 N ATOM 1254 CA TYR A 83 -9.392 10.668 9.508 1.00 0.00 C ATOM 1255 C TYR A 83 -9.198 9.212 9.917 1.00 0.00 C ATOM 1256 O TYR A 83 -8.136 8.829 10.409 1.00 0.00 O ATOM 1257 CB TYR A 83 -8.768 10.910 8.132 1.00 0.00 C ATOM 1258 CG TYR A 83 -9.388 12.068 7.382 1.00 0.00 C ATOM 1259 CD1 TYR A 83 -9.077 13.381 7.711 1.00 0.00 C ATOM 1260 CD2 TYR A 83 -10.283 11.847 6.342 1.00 0.00 C ATOM 1261 CE1 TYR A 83 -9.641 14.441 7.029 1.00 0.00 C ATOM 1262 CE2 TYR A 83 -10.851 12.902 5.653 1.00 0.00 C ATOM 1263 CZ TYR A 83 -10.527 14.197 6.000 1.00 0.00 C ATOM 1264 OH TYR A 83 -11.090 15.250 5.317 1.00 0.00 O ATOM 0 H TYR A 83 -7.786 11.574 10.507 1.00 0.00 H new ATOM 0 HA TYR A 83 -10.461 10.872 9.457 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -7.701 11.096 8.254 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -8.867 10.005 7.533 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -8.382 13.576 8.514 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -10.539 10.834 6.068 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.390 15.456 7.300 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -11.545 12.713 4.847 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.690 14.906 4.623 1.00 0.00 H new ATOM 1274 N SER A 84 -10.232 8.403 9.710 1.00 0.00 N ATOM 1275 CA SER A 84 -10.179 6.988 10.060 1.00 0.00 C ATOM 1276 C SER A 84 -9.804 6.142 8.847 1.00 0.00 C ATOM 1277 O SER A 84 -10.618 5.932 7.947 1.00 0.00 O ATOM 1278 CB SER A 84 -11.526 6.528 10.620 1.00 0.00 C ATOM 1279 OG SER A 84 -11.506 5.145 10.926 1.00 0.00 O ATOM 0 H SER A 84 -11.117 8.703 9.301 1.00 0.00 H new ATOM 0 HA SER A 84 -9.413 6.857 10.824 1.00 0.00 H new ATOM 0 HB2 SER A 84 -11.764 7.099 11.518 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.314 6.732 9.894 1.00 0.00 H new ATOM 0 HG SER A 84 -12.378 4.876 11.284 1.00 0.00 H new ATOM 1285 N LEU A 85 -8.566 5.659 8.830 1.00 0.00 N ATOM 1286 CA LEU A 85 -8.082 4.836 7.728 1.00 0.00 C ATOM 1287 C LEU A 85 -8.226 3.352 8.052 1.00 0.00 C ATOM 1288 O LEU A 85 -8.151 2.949 9.213 1.00 0.00 O ATOM 1289 CB LEU A 85 -6.618 5.163 7.426 1.00 0.00 C ATOM 1290 CG LEU A 85 -6.191 6.611 7.669 1.00 0.00 C ATOM 1291 CD1 LEU A 85 -4.674 6.720 7.709 1.00 0.00 C ATOM 1292 CD2 LEU A 85 -6.764 7.524 6.595 1.00 0.00 C ATOM 0 H LEU A 85 -7.880 5.823 9.567 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.687 5.058 6.849 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.988 4.513 8.033 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.419 4.916 6.383 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.584 6.928 8.635 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.388 7.757 7.883 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.286 6.097 8.514 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.260 6.384 6.758 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.450 8.550 6.784 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.401 7.208 5.617 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.852 7.469 6.613 1.00 0.00 H new ATOM 1304 N THR A 86 -8.432 2.543 7.018 1.00 0.00 N ATOM 1305 CA THR A 86 -8.586 1.104 7.192 1.00 0.00 C ATOM 1306 C THR A 86 -8.138 0.348 5.947 1.00 0.00 C ATOM 1307 O THR A 86 -8.821 0.359 4.922 1.00 0.00 O ATOM 1308 CB THR A 86 -10.046 0.729 7.508 1.00 0.00 C ATOM 1309 OG1 THR A 86 -10.545 1.552 8.569 1.00 0.00 O ATOM 1310 CG2 THR A 86 -10.156 -0.736 7.901 1.00 0.00 C ATOM 0 H THR A 86 -8.496 2.860 6.051 1.00 0.00 H new ATOM 0 HA THR A 86 -7.955 0.819 8.034 1.00 0.00 H new ATOM 0 HB THR A 86 -10.642 0.893 6.610 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.474 1.308 8.763 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.196 -0.977 8.119 1.00 0.00 H new ATOM 0 HG22 THR A 86 -9.804 -1.360 7.080 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.547 -0.922 8.786 1.00 0.00 H new ATOM 1318 N LEU A 87 -6.986 -0.308 6.041 1.00 0.00 N ATOM 1319 CA LEU A 87 -6.446 -1.071 4.921 1.00 0.00 C ATOM 1320 C LEU A 87 -7.029 -2.480 4.891 1.00 0.00 C ATOM 1321 O LEU A 87 -7.380 -3.040 5.930 1.00 0.00 O ATOM 1322 CB LEU A 87 -4.921 -1.139 5.013 1.00 0.00 C ATOM 1323 CG LEU A 87 -4.181 -1.411 3.703 1.00 0.00 C ATOM 1324 CD1 LEU A 87 -4.145 -0.159 2.840 1.00 0.00 C ATOM 1325 CD2 LEU A 87 -2.770 -1.910 3.981 1.00 0.00 C ATOM 0 H LEU A 87 -6.408 -0.327 6.881 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.725 -0.563 3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.559 -0.196 5.422 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.654 -1.919 5.726 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.719 -2.187 3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.614 -0.372 1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.164 0.155 2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.631 0.638 3.377 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.258 -2.098 3.037 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.222 -1.156 4.547 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.818 -2.833 4.558 1.00 0.00 H new ATOM 1337 N TYR A 88 -7.127 -3.048 3.694 1.00 0.00 N ATOM 1338 CA TYR A 88 -7.667 -4.393 3.529 1.00 0.00 C ATOM 1339 C TYR A 88 -6.759 -5.239 2.641 1.00 0.00 C ATOM 1340 O TYR A 88 -6.649 -5.001 1.439 1.00 0.00 O ATOM 1341 CB TYR A 88 -9.072 -4.330 2.928 1.00 0.00 C ATOM 1342 CG TYR A 88 -10.118 -3.807 3.886 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -10.586 -4.593 4.932 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -10.637 -2.525 3.746 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -11.542 -4.119 5.809 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -11.592 -2.043 4.620 1.00 0.00 C ATOM 1347 CZ TYR A 88 -12.041 -2.843 5.649 1.00 0.00 C ATOM 1348 OH TYR A 88 -12.993 -2.367 6.522 1.00 0.00 O ATOM 0 H TYR A 88 -6.840 -2.599 2.824 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.720 -4.860 4.513 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.051 -3.694 2.043 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.361 -5.327 2.597 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -10.196 -5.592 5.061 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -10.288 -1.896 2.941 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -11.897 -4.744 6.615 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -11.985 -1.044 4.498 1.00 0.00 H new ATOM 0 HH TYR A 88 -13.238 -1.452 6.272 1.00 0.00 H new ATOM 1358 N GLY A 89 -6.109 -6.230 3.244 1.00 0.00 N ATOM 1359 CA GLY A 89 -5.220 -7.098 2.495 1.00 0.00 C ATOM 1360 C GLY A 89 -5.971 -8.093 1.632 1.00 0.00 C ATOM 1361 O GLY A 89 -6.299 -9.192 2.081 1.00 0.00 O ATOM 0 H GLY A 89 -6.183 -6.447 4.238 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.572 -6.491 1.863 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.575 -7.638 3.188 1.00 0.00 H new ATOM 1365 N LEU A 90 -6.245 -7.708 0.391 1.00 0.00 N ATOM 1366 CA LEU A 90 -6.964 -8.573 -0.537 1.00 0.00 C ATOM 1367 C LEU A 90 -6.087 -9.738 -0.986 1.00 0.00 C ATOM 1368 O LEU A 90 -5.107 -9.548 -1.706 1.00 0.00 O ATOM 1369 CB LEU A 90 -7.432 -7.773 -1.754 1.00 0.00 C ATOM 1370 CG LEU A 90 -8.709 -6.953 -1.568 1.00 0.00 C ATOM 1371 CD1 LEU A 90 -9.912 -7.868 -1.403 1.00 0.00 C ATOM 1372 CD2 LEU A 90 -8.576 -6.023 -0.370 1.00 0.00 C ATOM 0 H LEU A 90 -5.980 -6.802 0.004 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.834 -8.976 -0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.630 -7.097 -2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.586 -8.466 -2.581 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.860 -6.345 -2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.811 -7.266 -1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -10.019 -8.492 -2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.769 -8.503 -0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.494 -5.447 -0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.400 -6.612 0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.739 -5.343 -0.528 1.00 0.00 H new ATOM 1384 N ARG A 91 -6.448 -10.943 -0.559 1.00 0.00 N ATOM 1385 CA ARG A 91 -5.695 -12.139 -0.918 1.00 0.00 C ATOM 1386 C ARG A 91 -6.283 -12.799 -2.161 1.00 0.00 C ATOM 1387 O ARG A 91 -5.882 -13.897 -2.542 1.00 0.00 O ATOM 1388 CB ARG A 91 -5.689 -13.132 0.246 1.00 0.00 C ATOM 1389 CG ARG A 91 -4.527 -14.110 0.205 1.00 0.00 C ATOM 1390 CD ARG A 91 -4.861 -15.403 0.934 1.00 0.00 C ATOM 1391 NE ARG A 91 -6.026 -16.070 0.359 1.00 0.00 N ATOM 1392 CZ ARG A 91 -6.481 -17.245 0.778 1.00 0.00 C ATOM 1393 NH1 ARG A 91 -5.872 -17.880 1.770 1.00 0.00 N ATOM 1394 NH2 ARG A 91 -7.548 -17.788 0.205 1.00 0.00 N ATOM 0 H ARG A 91 -7.258 -11.117 0.036 1.00 0.00 H new ATOM 0 HA ARG A 91 -4.670 -11.840 -1.137 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -5.654 -12.579 1.184 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.624 -13.692 0.240 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.272 -14.331 -0.832 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.648 -13.652 0.659 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.003 -16.074 0.894 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.049 -15.188 1.986 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.517 -15.608 -0.406 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.052 -17.466 2.213 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -6.224 -18.782 2.090 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -8.020 -17.303 -0.558 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.896 -18.691 0.528 1.00 0.00 H new ATOM 1408 N GLY A 92 -7.238 -12.120 -2.790 1.00 0.00 N ATOM 1409 CA GLY A 92 -7.867 -12.656 -3.983 1.00 0.00 C ATOM 1410 C GLY A 92 -9.266 -12.113 -4.195 1.00 0.00 C ATOM 1411 O GLY A 92 -9.465 -10.919 -4.420 1.00 0.00 O ATOM 0 H GLY A 92 -7.587 -11.208 -2.494 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -7.253 -12.418 -4.852 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.910 -13.743 -3.910 1.00 0.00 H new ATOM 1415 N PRO A 93 -10.267 -13.004 -4.125 1.00 0.00 N ATOM 1416 CA PRO A 93 -11.673 -12.630 -4.309 1.00 0.00 C ATOM 1417 C PRO A 93 -12.206 -11.792 -3.153 1.00 0.00 C ATOM 1418 O PRO A 93 -12.942 -10.827 -3.360 1.00 0.00 O ATOM 1419 CB PRO A 93 -12.393 -13.980 -4.369 1.00 0.00 C ATOM 1420 CG PRO A 93 -11.511 -14.914 -3.616 1.00 0.00 C ATOM 1421 CD PRO A 93 -10.104 -14.443 -3.860 1.00 0.00 C ATOM 0 HA PRO A 93 -11.819 -12.014 -5.196 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -13.383 -13.921 -3.918 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.531 -14.310 -5.399 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -11.748 -14.902 -2.552 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -11.644 -15.940 -3.960 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.465 -14.622 -2.996 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.649 -14.958 -4.706 1.00 0.00 H new ATOM 1429 N HIS A 94 -11.831 -12.167 -1.934 1.00 0.00 N ATOM 1430 CA HIS A 94 -12.272 -11.449 -0.743 1.00 0.00 C ATOM 1431 C HIS A 94 -11.078 -11.014 0.102 1.00 0.00 C ATOM 1432 O HIS A 94 -9.990 -11.582 -0.003 1.00 0.00 O ATOM 1433 CB HIS A 94 -13.209 -12.324 0.089 1.00 0.00 C ATOM 1434 CG HIS A 94 -14.574 -12.478 -0.509 1.00 0.00 C ATOM 1435 ND1 HIS A 94 -15.730 -12.475 0.243 1.00 0.00 N ATOM 1436 CD2 HIS A 94 -14.964 -12.638 -1.796 1.00 0.00 C ATOM 1437 CE1 HIS A 94 -16.771 -12.629 -0.555 1.00 0.00 C ATOM 1438 NE2 HIS A 94 -16.334 -12.729 -1.797 1.00 0.00 N ATOM 0 H HIS A 94 -11.223 -12.964 -1.745 1.00 0.00 H new ATOM 0 HA HIS A 94 -12.811 -10.558 -1.065 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -12.761 -13.310 0.209 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -13.305 -11.894 1.086 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -14.318 -12.685 -2.660 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -17.805 -12.667 -0.244 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -16.919 -12.854 -2.623 1.00 0.00 H new ATOM 1447 N LYS A 95 -11.289 -10.004 0.939 1.00 0.00 N ATOM 1448 CA LYS A 95 -10.231 -9.492 1.803 1.00 0.00 C ATOM 1449 C LYS A 95 -9.833 -10.530 2.847 1.00 0.00 C ATOM 1450 O LYS A 95 -10.677 -11.265 3.359 1.00 0.00 O ATOM 1451 CB LYS A 95 -10.687 -8.206 2.494 1.00 0.00 C ATOM 1452 CG LYS A 95 -11.313 -7.196 1.548 1.00 0.00 C ATOM 1453 CD LYS A 95 -12.292 -6.286 2.272 1.00 0.00 C ATOM 1454 CE LYS A 95 -13.196 -5.551 1.295 1.00 0.00 C ATOM 1455 NZ LYS A 95 -14.142 -6.476 0.611 1.00 0.00 N ATOM 0 H LYS A 95 -12.183 -9.523 1.038 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.362 -9.274 1.183 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.408 -8.458 3.272 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.831 -7.746 2.989 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.530 -6.595 1.086 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.829 -7.720 0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -12.900 -6.876 2.958 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.742 -5.563 2.874 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -13.759 -4.784 1.827 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -12.586 -5.039 0.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -14.934 -5.931 0.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.646 -6.976 -0.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -14.508 -7.168 1.296 1.00 0.00 H new ATOM 1469 N ALA A 96 -8.542 -10.583 3.160 1.00 0.00 N ATOM 1470 CA ALA A 96 -8.033 -11.528 4.146 1.00 0.00 C ATOM 1471 C ALA A 96 -7.776 -10.841 5.483 1.00 0.00 C ATOM 1472 O ALA A 96 -8.325 -11.238 6.511 1.00 0.00 O ATOM 1473 CB ALA A 96 -6.761 -12.189 3.636 1.00 0.00 C ATOM 0 H ALA A 96 -7.830 -9.982 2.745 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.791 -12.296 4.302 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.392 -12.892 4.383 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.974 -12.722 2.709 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.004 -11.427 3.450 1.00 0.00 H new ATOM 1479 N ASP A 97 -6.938 -9.811 5.461 1.00 0.00 N ATOM 1480 CA ASP A 97 -6.608 -9.068 6.673 1.00 0.00 C ATOM 1481 C ASP A 97 -7.029 -7.608 6.546 1.00 0.00 C ATOM 1482 O ASP A 97 -7.342 -7.134 5.453 1.00 0.00 O ATOM 1483 CB ASP A 97 -5.108 -9.157 6.958 1.00 0.00 C ATOM 1484 CG ASP A 97 -4.789 -8.992 8.431 1.00 0.00 C ATOM 1485 OD1 ASP A 97 -5.171 -9.878 9.224 1.00 0.00 O ATOM 1486 OD2 ASP A 97 -4.156 -7.977 8.790 1.00 0.00 O ATOM 0 H ASP A 97 -6.475 -9.471 4.618 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.155 -9.514 7.504 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -4.732 -10.120 6.613 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -4.586 -8.388 6.388 1.00 0.00 H new ATOM 1491 N SER A 98 -7.036 -6.899 7.671 1.00 0.00 N ATOM 1492 CA SER A 98 -7.423 -5.493 7.686 1.00 0.00 C ATOM 1493 C SER A 98 -6.853 -4.786 8.912 1.00 0.00 C ATOM 1494 O SER A 98 -6.984 -5.269 10.037 1.00 0.00 O ATOM 1495 CB SER A 98 -8.947 -5.362 7.671 1.00 0.00 C ATOM 1496 OG SER A 98 -9.512 -5.835 8.882 1.00 0.00 O ATOM 0 H SER A 98 -6.778 -7.275 8.583 1.00 0.00 H new ATOM 0 HA SER A 98 -7.016 -5.020 6.793 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.224 -4.319 7.520 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.355 -5.925 6.831 1.00 0.00 H new ATOM 0 HG SER A 98 -10.487 -5.739 8.848 1.00 0.00 H new ATOM 1502 N ILE A 99 -6.219 -3.641 8.684 1.00 0.00 N ATOM 1503 CA ILE A 99 -5.629 -2.867 9.769 1.00 0.00 C ATOM 1504 C ILE A 99 -6.295 -1.501 9.895 1.00 0.00 C ATOM 1505 O ILE A 99 -6.866 -0.987 8.933 1.00 0.00 O ATOM 1506 CB ILE A 99 -4.116 -2.670 9.562 1.00 0.00 C ATOM 1507 CG1 ILE A 99 -3.459 -2.191 10.859 1.00 0.00 C ATOM 1508 CG2 ILE A 99 -3.859 -1.680 8.436 1.00 0.00 C ATOM 1509 CD1 ILE A 99 -2.014 -2.615 10.997 1.00 0.00 C ATOM 0 H ILE A 99 -6.101 -3.229 7.758 1.00 0.00 H new ATOM 0 HA ILE A 99 -5.791 -3.434 10.686 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.675 -3.628 9.285 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.516 -1.103 10.905 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.025 -2.576 11.707 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -2.785 -1.552 8.302 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.297 -2.058 7.512 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.311 -0.720 8.686 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.613 -2.241 11.939 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.951 -3.703 10.983 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.434 -2.207 10.169 1.00 0.00 H new ATOM 1521 N GLN A 100 -6.217 -0.918 11.087 1.00 0.00 N ATOM 1522 CA GLN A 100 -6.812 0.390 11.338 1.00 0.00 C ATOM 1523 C GLN A 100 -5.737 1.425 11.655 1.00 0.00 C ATOM 1524 O GLN A 100 -5.078 1.353 12.690 1.00 0.00 O ATOM 1525 CB GLN A 100 -7.811 0.305 12.493 1.00 0.00 C ATOM 1526 CG GLN A 100 -9.209 -0.106 12.059 1.00 0.00 C ATOM 1527 CD GLN A 100 -10.050 -0.619 13.211 1.00 0.00 C ATOM 1528 OE1 GLN A 100 -9.543 -0.860 14.307 1.00 0.00 O ATOM 1529 NE2 GLN A 100 -11.345 -0.788 12.969 1.00 0.00 N ATOM 0 H GLN A 100 -5.748 -1.330 11.894 1.00 0.00 H new ATOM 0 HA GLN A 100 -7.336 0.703 10.435 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.443 -0.410 13.229 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.864 1.274 12.989 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.709 0.748 11.601 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.135 -0.880 11.295 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -11.723 -0.576 12.046 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -11.961 -1.130 13.706 1.00 0.00 H new ATOM 1538 N GLY A 101 -5.566 2.388 10.754 1.00 0.00 N ATOM 1539 CA GLY A 101 -4.570 3.424 10.955 1.00 0.00 C ATOM 1540 C GLY A 101 -5.188 4.799 11.114 1.00 0.00 C ATOM 1541 O GLY A 101 -5.865 5.293 10.211 1.00 0.00 O ATOM 0 H GLY A 101 -6.100 2.469 9.889 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.980 3.190 11.841 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.884 3.433 10.108 1.00 0.00 H new ATOM 1545 N THR A 102 -4.956 5.421 12.266 1.00 0.00 N ATOM 1546 CA THR A 102 -5.497 6.746 12.541 1.00 0.00 C ATOM 1547 C THR A 102 -4.421 7.817 12.411 1.00 0.00 C ATOM 1548 O THR A 102 -3.255 7.581 12.726 1.00 0.00 O ATOM 1549 CB THR A 102 -6.110 6.820 13.952 1.00 0.00 C ATOM 1550 OG1 THR A 102 -5.236 6.198 14.900 1.00 0.00 O ATOM 1551 CG2 THR A 102 -7.471 6.140 13.988 1.00 0.00 C ATOM 0 H THR A 102 -4.397 5.028 13.023 1.00 0.00 H new ATOM 0 HA THR A 102 -6.278 6.928 11.803 1.00 0.00 H new ATOM 0 HB THR A 102 -6.239 7.871 14.212 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.633 6.251 15.795 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.884 6.205 14.995 1.00 0.00 H new ATOM 0 HG22 THR A 102 -8.144 6.635 13.287 1.00 0.00 H new ATOM 0 HG23 THR A 102 -7.362 5.092 13.708 1.00 0.00 H new ATOM 1559 N ALA A 103 -4.819 8.996 11.944 1.00 0.00 N ATOM 1560 CA ALA A 103 -3.888 10.105 11.774 1.00 0.00 C ATOM 1561 C ALA A 103 -4.625 11.439 11.732 1.00 0.00 C ATOM 1562 O ALA A 103 -5.763 11.516 11.269 1.00 0.00 O ATOM 1563 CB ALA A 103 -3.065 9.914 10.509 1.00 0.00 C ATOM 0 H ALA A 103 -5.780 9.208 11.677 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.216 10.118 12.632 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.374 10.749 10.395 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.501 8.984 10.579 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.729 9.872 9.646 1.00 0.00 H new ATOM 1569 N ARG A 104 -3.970 12.487 12.219 1.00 0.00 N ATOM 1570 CA ARG A 104 -4.564 13.819 12.239 1.00 0.00 C ATOM 1571 C ARG A 104 -3.789 14.774 11.336 1.00 0.00 C ATOM 1572 O ARG A 104 -2.593 14.997 11.531 1.00 0.00 O ATOM 1573 CB ARG A 104 -4.598 14.364 13.668 1.00 0.00 C ATOM 1574 CG ARG A 104 -5.646 15.444 13.883 1.00 0.00 C ATOM 1575 CD ARG A 104 -6.132 15.470 15.323 1.00 0.00 C ATOM 1576 NE ARG A 104 -7.170 16.476 15.533 1.00 0.00 N ATOM 1577 CZ ARG A 104 -7.852 16.602 16.666 1.00 0.00 C ATOM 1578 NH1 ARG A 104 -7.608 15.790 17.685 1.00 0.00 N ATOM 1579 NH2 ARG A 104 -8.782 17.542 16.780 1.00 0.00 N ATOM 0 H ARG A 104 -3.027 12.440 12.605 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.584 13.740 11.864 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.789 13.541 14.357 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -3.617 14.767 13.918 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -5.227 16.416 13.622 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -6.491 15.271 13.216 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -6.520 14.488 15.592 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -5.291 15.673 15.986 1.00 0.00 H new ATOM 0 HE ARG A 104 -7.383 17.116 14.768 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -6.895 15.066 17.601 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -8.133 15.889 18.554 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -8.973 18.168 15.998 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -9.306 17.639 17.650 1.00 0.00 H new ATOM 1593 N THR A 105 -4.477 15.335 10.347 1.00 0.00 N ATOM 1594 CA THR A 105 -3.853 16.264 9.413 1.00 0.00 C ATOM 1595 C THR A 105 -3.386 17.529 10.126 1.00 0.00 C ATOM 1596 O THR A 105 -3.630 17.707 11.320 1.00 0.00 O ATOM 1597 CB THR A 105 -4.820 16.655 8.280 1.00 0.00 C ATOM 1598 OG1 THR A 105 -6.100 16.997 8.823 1.00 0.00 O ATOM 1599 CG2 THR A 105 -4.975 15.516 7.284 1.00 0.00 C ATOM 0 H THR A 105 -5.467 15.162 10.172 1.00 0.00 H new ATOM 0 HA THR A 105 -2.991 15.752 8.985 1.00 0.00 H new ATOM 0 HB THR A 105 -4.404 17.518 7.760 1.00 0.00 H new ATOM 0 HG1 THR A 105 -6.533 17.660 8.246 1.00 0.00 H new ATOM 0 HG21 THR A 105 -5.663 15.815 6.493 1.00 0.00 H new ATOM 0 HG22 THR A 105 -4.004 15.278 6.850 1.00 0.00 H new ATOM 0 HG23 THR A 105 -5.370 14.637 7.794 1.00 0.00 H new ATOM 1607 N LEU A 106 -2.714 18.404 9.386 1.00 0.00 N ATOM 1608 CA LEU A 106 -2.213 19.654 9.948 1.00 0.00 C ATOM 1609 C LEU A 106 -3.131 20.818 9.590 1.00 0.00 C ATOM 1610 O LEU A 106 -3.741 20.835 8.522 1.00 0.00 O ATOM 1611 CB LEU A 106 -0.797 19.932 9.440 1.00 0.00 C ATOM 1612 CG LEU A 106 0.287 18.960 9.909 1.00 0.00 C ATOM 1613 CD1 LEU A 106 1.561 19.150 9.100 1.00 0.00 C ATOM 1614 CD2 LEU A 106 0.564 19.146 11.394 1.00 0.00 C ATOM 0 H LEU A 106 -2.504 18.272 8.397 1.00 0.00 H new ATOM 0 HA LEU A 106 -2.191 19.553 11.033 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.816 19.926 8.350 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.513 20.938 9.748 1.00 0.00 H new ATOM 0 HG LEU A 106 -0.071 17.943 9.751 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.321 18.450 9.448 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.353 18.966 8.046 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.923 20.170 9.226 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.338 18.446 11.710 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.901 20.166 11.576 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.348 18.959 11.961 1.00 0.00 H new ATOM 1626 N SER A 107 -3.222 21.791 10.491 1.00 0.00 N ATOM 1627 CA SER A 107 -4.067 22.959 10.272 1.00 0.00 C ATOM 1628 C SER A 107 -3.395 23.945 9.321 1.00 0.00 C ATOM 1629 O SER A 107 -4.064 24.672 8.588 1.00 0.00 O ATOM 1630 CB SER A 107 -4.377 23.648 11.603 1.00 0.00 C ATOM 1631 OG SER A 107 -5.288 24.718 11.423 1.00 0.00 O ATOM 0 H SER A 107 -2.721 21.794 11.379 1.00 0.00 H new ATOM 0 HA SER A 107 -5.000 22.622 9.819 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.795 22.924 12.302 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.454 24.023 12.046 1.00 0.00 H new ATOM 0 HG SER A 107 -5.471 25.141 12.288 1.00 0.00 H new