USER MOD reduce.3.24.130724 H: found=0, std=0, add=1062, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1066 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 14 SER OG : rot 180:sc= 0.423 USER MOD Set 1.2: A 151 GLN : amide:sc= 0.142 K(o=0.56,f=-2.9!) USER MOD Set 2.1: A 95 LYS NZ :NH3+ 151:sc= 0.536 (180deg=0) USER MOD Set 2.2: A 147 TYR OH : rot -1:sc= 0.955 USER MOD Set 3.1: A 127 HIS : no HD1:sc= -0.209 X(o=-0.25,f=0) USER MOD Set 3.2: A 129 HIS : no HD1:sc= -0.0425 X(o=-0.25,f=0) USER MOD Set 4.1: A 18 THR OG1 : rot 32:sc= 1.64 USER MOD Set 4.2: A 24 TYR OH : rot 91:sc= 0.263 USER MOD Set 4.3: A 36 SER OG : rot -102:sc= 0.76 USER MOD Single : A 10 THR OG1 : rot 21:sc= 0.235 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 36:sc= -0.249 USER MOD Single : A 15 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.271) USER MOD Single : A 16 GLN : amide:sc= -0.115 X(o=-0.11,f=-0.39) USER MOD Single : A 20 MET CE :methyl 150:sc= -1.2 (180deg=-3.34!) USER MOD Single : A 26 ASN : amide:sc= -0.0634 K(o=-0.063,f=-7.6!) USER MOD Single : A 27 SER OG : rot -29:sc= 0.196 USER MOD Single : A 28 LYS NZ :NH3+ 165:sc= -0.0353 (180deg=-0.254) USER MOD Single : A 34 ASN : amide:sc= -0.78 K(o=-0.78,f=-5.7!) USER MOD Single : A 37 ASN : amide:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -22:sc= 0.0186 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN :FLIP amide:sc= -0.653 F(o=-1.4,f=-0.65) USER MOD Single : A 48 LYS NZ :NH3+ -173:sc=-0.00515 (180deg=-0.0967) USER MOD Single : A 52 LYS NZ :NH3+ -156:sc= -0.0735 (180deg=-0.487) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 122:sc= -2.68! (180deg=-3.47!) USER MOD Single : A 62 THR OG1 : rot 123:sc= 0.314 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.214 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.952 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 86:sc= 1.2 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= -0.714 USER MOD Single : A 104 GLN : amide:sc= -0.0787 X(o=-0.079,f=0) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 THR OG1 : rot 136:sc= 0.299 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 ASN :FLIP amide:sc= -0.0938 F(o=-2.1,f=-0.094) USER MOD Single : A 119 TYR OH : rot -161:sc= 0.166 USER MOD Single : A 120 GLN : amide:sc= -0.775 X(o=-0.77,f=-0.57) USER MOD Single : A 122 TYR OH : rot 100:sc= 1.12 USER MOD Single : A 124 GLN :FLIP amide:sc= -0.267 F(o=-2!,f=-0.27) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 HIS : no HE2:sc= -0.42 X(o=-0.42,f=-0.34) USER MOD Single : A 140 GLN : amide:sc= -0.0415 X(o=-0.041,f=-0.25) USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 139 N THR A 10 -9.421 3.886 -11.411 1.00 45.32 N ATOM 140 CA THR A 10 -8.843 2.986 -12.418 1.00 53.02 C ATOM 141 C THR A 10 -7.415 2.582 -11.991 1.00 43.10 C ATOM 142 O THR A 10 -6.762 3.304 -11.220 1.00 61.42 O ATOM 143 CB THR A 10 -8.852 3.676 -13.825 1.00 33.44 C ATOM 144 OG1 THR A 10 -10.150 4.259 -14.066 1.00 23.31 O ATOM 145 CG2 THR A 10 -8.511 2.707 -14.978 1.00 44.03 C ATOM 0 HA THR A 10 -9.445 2.080 -12.491 1.00 53.02 H new ATOM 0 HB THR A 10 -8.076 4.441 -13.807 1.00 33.44 H new ATOM 0 HG1 THR A 10 -10.611 4.395 -13.212 1.00 23.31 H new ATOM 0 HG21 THR A 10 -8.534 3.246 -15.925 1.00 44.03 H new ATOM 0 HG22 THR A 10 -7.516 2.291 -14.821 1.00 44.03 H new ATOM 0 HG23 THR A 10 -9.242 1.899 -15.003 1.00 44.03 H new ATOM 153 N THR A 11 -6.944 1.441 -12.523 1.00 70.43 N ATOM 154 CA THR A 11 -5.705 0.763 -12.100 1.00 4.14 C ATOM 155 C THR A 11 -4.429 1.643 -12.153 1.00 10.14 C ATOM 156 O THR A 11 -3.488 1.360 -11.411 1.00 3.33 O ATOM 157 CB THR A 11 -5.505 -0.532 -12.955 1.00 45.25 C ATOM 158 OG1 THR A 11 -5.572 -0.212 -14.355 1.00 5.15 O ATOM 159 CG2 THR A 11 -6.558 -1.613 -12.625 1.00 41.32 C ATOM 0 H THR A 11 -7.426 0.952 -13.278 1.00 70.43 H new ATOM 0 HA THR A 11 -5.839 0.520 -11.046 1.00 4.14 H new ATOM 0 HB THR A 11 -4.522 -0.934 -12.710 1.00 45.25 H new ATOM 0 HG1 THR A 11 -5.444 -1.027 -14.883 1.00 5.15 H new ATOM 0 HG21 THR A 11 -6.381 -2.494 -13.242 1.00 41.32 H new ATOM 0 HG22 THR A 11 -6.482 -1.886 -11.572 1.00 41.32 H new ATOM 0 HG23 THR A 11 -7.556 -1.223 -12.827 1.00 41.32 H new ATOM 167 N TYR A 12 -4.421 2.720 -12.984 1.00 52.45 N ATOM 168 CA TYR A 12 -3.243 3.616 -13.149 1.00 53.12 C ATOM 169 C TYR A 12 -2.737 4.160 -11.793 1.00 43.43 C ATOM 170 O TYR A 12 -1.535 4.214 -11.551 1.00 53.14 O ATOM 171 CB TYR A 12 -3.557 4.792 -14.126 1.00 64.11 C ATOM 172 CG TYR A 12 -4.599 5.824 -13.634 1.00 33.22 C ATOM 173 CD1 TYR A 12 -4.231 6.905 -12.820 1.00 64.52 C ATOM 174 CD2 TYR A 12 -5.942 5.713 -13.969 1.00 2.54 C ATOM 175 CE1 TYR A 12 -5.160 7.816 -12.367 1.00 21.33 C ATOM 176 CE2 TYR A 12 -6.876 6.632 -13.517 1.00 54.21 C ATOM 177 CZ TYR A 12 -6.482 7.675 -12.716 1.00 15.13 C ATOM 178 OH TYR A 12 -7.413 8.585 -12.266 1.00 73.23 O ATOM 0 H TYR A 12 -5.223 2.990 -13.554 1.00 52.45 H new ATOM 0 HA TYR A 12 -2.446 3.012 -13.583 1.00 53.12 H new ATOM 0 HB2 TYR A 12 -2.627 5.318 -14.340 1.00 64.11 H new ATOM 0 HB3 TYR A 12 -3.909 4.371 -15.068 1.00 64.11 H new ATOM 0 HD1 TYR A 12 -3.195 7.026 -12.542 1.00 64.52 H new ATOM 0 HD2 TYR A 12 -6.265 4.894 -14.594 1.00 2.54 H new ATOM 0 HE1 TYR A 12 -4.850 8.639 -11.739 1.00 21.33 H new ATOM 0 HE2 TYR A 12 -7.914 6.527 -13.795 1.00 54.21 H new ATOM 0 HH TYR A 12 -7.009 9.477 -12.234 1.00 73.23 H new ATOM 188 N ALA A 13 -3.694 4.509 -10.908 1.00 22.04 N ATOM 189 CA ALA A 13 -3.418 5.093 -9.583 1.00 30.25 C ATOM 190 C ALA A 13 -2.685 4.094 -8.676 1.00 22.41 C ATOM 191 O ALA A 13 -1.849 4.472 -7.844 1.00 13.43 O ATOM 192 CB ALA A 13 -4.740 5.538 -8.940 1.00 31.54 C ATOM 0 H ALA A 13 -4.689 4.391 -11.097 1.00 22.04 H new ATOM 0 HA ALA A 13 -2.766 5.958 -9.709 1.00 30.25 H new ATOM 0 HB1 ALA A 13 -4.540 5.971 -7.960 1.00 31.54 H new ATOM 0 HB2 ALA A 13 -5.220 6.283 -9.574 1.00 31.54 H new ATOM 0 HB3 ALA A 13 -5.399 4.677 -8.829 1.00 31.54 H new ATOM 198 N SER A 14 -3.009 2.810 -8.883 1.00 12.35 N ATOM 199 CA SER A 14 -2.444 1.701 -8.124 1.00 3.00 C ATOM 200 C SER A 14 -1.027 1.358 -8.617 1.00 31.21 C ATOM 201 O SER A 14 -0.142 1.059 -7.807 1.00 73.34 O ATOM 202 CB SER A 14 -3.379 0.479 -8.243 1.00 62.43 C ATOM 203 OG SER A 14 -4.715 0.819 -7.893 1.00 33.44 O ATOM 0 H SER A 14 -3.680 2.516 -9.593 1.00 12.35 H new ATOM 0 HA SER A 14 -2.361 1.991 -7.076 1.00 3.00 H new ATOM 0 HB2 SER A 14 -3.354 0.096 -9.263 1.00 62.43 H new ATOM 0 HB3 SER A 14 -3.022 -0.320 -7.593 1.00 62.43 H new ATOM 0 HG SER A 14 -5.287 0.028 -7.978 1.00 33.44 H new ATOM 209 N LYS A 15 -0.825 1.432 -9.954 1.00 75.32 N ATOM 210 CA LYS A 15 0.468 1.105 -10.592 1.00 20.54 C ATOM 211 C LYS A 15 1.505 2.185 -10.253 1.00 44.00 C ATOM 212 O LYS A 15 2.672 1.893 -9.975 1.00 22.01 O ATOM 213 CB LYS A 15 0.326 0.996 -12.140 1.00 32.14 C ATOM 214 CG LYS A 15 -0.851 0.139 -12.641 1.00 4.44 C ATOM 215 CD LYS A 15 -0.871 -1.298 -12.072 1.00 64.52 C ATOM 216 CE LYS A 15 -2.065 -2.111 -12.605 1.00 64.34 C ATOM 217 NZ LYS A 15 -2.040 -3.524 -12.142 1.00 55.33 N ATOM 0 H LYS A 15 -1.548 1.718 -10.614 1.00 75.32 H new ATOM 0 HA LYS A 15 0.796 0.139 -10.207 1.00 20.54 H new ATOM 0 HB2 LYS A 15 0.220 2.001 -12.549 1.00 32.14 H new ATOM 0 HB3 LYS A 15 1.251 0.583 -12.544 1.00 32.14 H new ATOM 0 HG2 LYS A 15 -1.785 0.635 -12.379 1.00 4.44 H new ATOM 0 HG3 LYS A 15 -0.812 0.087 -13.729 1.00 4.44 H new ATOM 0 HD2 LYS A 15 0.058 -1.805 -12.333 1.00 64.52 H new ATOM 0 HD3 LYS A 15 -0.917 -1.257 -10.984 1.00 64.52 H new ATOM 0 HE2 LYS A 15 -2.994 -1.642 -12.281 1.00 64.34 H new ATOM 0 HE3 LYS A 15 -2.059 -2.088 -13.695 1.00 64.34 H new ATOM 0 HZ1 LYS A 15 -2.960 -3.969 -12.336 1.00 55.33 H new ATOM 0 HZ2 LYS A 15 -1.292 -4.041 -12.646 1.00 55.33 H new ATOM 0 HZ3 LYS A 15 -1.851 -3.551 -11.120 1.00 55.33 H new ATOM 231 N GLN A 16 1.027 3.440 -10.271 1.00 23.13 N ATOM 232 CA GLN A 16 1.855 4.624 -10.033 1.00 12.42 C ATOM 233 C GLN A 16 2.233 4.773 -8.556 1.00 54.30 C ATOM 234 O GLN A 16 3.253 5.378 -8.250 1.00 11.12 O ATOM 235 CB GLN A 16 1.154 5.892 -10.579 1.00 44.51 C ATOM 236 CG GLN A 16 1.092 5.938 -12.124 1.00 64.43 C ATOM 237 CD GLN A 16 2.475 5.993 -12.799 1.00 54.12 C ATOM 238 OE1 GLN A 16 3.432 6.558 -12.263 1.00 54.23 O ATOM 239 NE2 GLN A 16 2.592 5.410 -13.983 1.00 22.25 N ATOM 0 H GLN A 16 0.047 3.658 -10.453 1.00 23.13 H new ATOM 0 HA GLN A 16 2.790 4.494 -10.577 1.00 12.42 H new ATOM 0 HB2 GLN A 16 0.141 5.939 -10.180 1.00 44.51 H new ATOM 0 HB3 GLN A 16 1.681 6.775 -10.217 1.00 44.51 H new ATOM 0 HG2 GLN A 16 0.557 5.059 -12.483 1.00 64.43 H new ATOM 0 HG3 GLN A 16 0.514 6.810 -12.430 1.00 64.43 H new ATOM 0 HE21 GLN A 16 1.787 4.949 -14.406 1.00 22.25 H new ATOM 0 HE22 GLN A 16 3.488 5.422 -14.471 1.00 22.25 H new ATOM 248 N ALA A 17 1.427 4.201 -7.645 1.00 23.11 N ATOM 249 CA ALA A 17 1.788 4.137 -6.218 1.00 23.35 C ATOM 250 C ALA A 17 3.023 3.236 -6.033 1.00 74.34 C ATOM 251 O ALA A 17 4.020 3.630 -5.418 1.00 65.04 O ATOM 252 CB ALA A 17 0.603 3.640 -5.389 1.00 3.30 C ATOM 0 H ALA A 17 0.526 3.779 -7.869 1.00 23.11 H new ATOM 0 HA ALA A 17 2.039 5.137 -5.865 1.00 23.35 H new ATOM 0 HB1 ALA A 17 0.887 3.599 -4.337 1.00 3.30 H new ATOM 0 HB2 ALA A 17 -0.238 4.322 -5.511 1.00 3.30 H new ATOM 0 HB3 ALA A 17 0.315 2.644 -5.727 1.00 3.30 H new ATOM 258 N THR A 18 2.953 2.036 -6.633 1.00 25.15 N ATOM 259 CA THR A 18 4.053 1.061 -6.631 1.00 64.33 C ATOM 260 C THR A 18 5.233 1.499 -7.532 1.00 33.44 C ATOM 261 O THR A 18 6.332 0.950 -7.419 1.00 13.20 O ATOM 262 CB THR A 18 3.533 -0.364 -7.012 1.00 62.12 C ATOM 263 OG1 THR A 18 2.519 -0.255 -8.023 1.00 5.22 O ATOM 264 CG2 THR A 18 2.957 -1.107 -5.795 1.00 70.11 C ATOM 0 H THR A 18 2.126 1.715 -7.136 1.00 25.15 H new ATOM 0 HA THR A 18 4.444 1.018 -5.615 1.00 64.33 H new ATOM 0 HB THR A 18 4.382 -0.936 -7.387 1.00 62.12 H new ATOM 0 HG1 THR A 18 2.711 0.515 -8.598 1.00 5.22 H new ATOM 0 HG21 THR A 18 2.607 -2.092 -6.103 1.00 70.11 H new ATOM 0 HG22 THR A 18 3.732 -1.218 -5.036 1.00 70.11 H new ATOM 0 HG23 THR A 18 2.124 -0.538 -5.382 1.00 70.11 H new ATOM 272 N ASP A 19 4.985 2.484 -8.424 1.00 14.40 N ATOM 273 CA ASP A 19 6.033 3.095 -9.268 1.00 52.13 C ATOM 274 C ASP A 19 7.100 3.794 -8.400 1.00 30.12 C ATOM 275 O ASP A 19 8.293 3.700 -8.690 1.00 75.34 O ATOM 276 CB ASP A 19 5.410 4.099 -10.271 1.00 1.21 C ATOM 277 CG ASP A 19 6.419 4.669 -11.284 1.00 34.00 C ATOM 278 OD1 ASP A 19 6.635 4.037 -12.336 1.00 11.30 O ATOM 279 OD2 ASP A 19 7.006 5.741 -11.036 1.00 2.22 O ATOM 0 H ASP A 19 4.056 2.876 -8.578 1.00 14.40 H new ATOM 0 HA ASP A 19 6.519 2.299 -9.832 1.00 52.13 H new ATOM 0 HB2 ASP A 19 4.604 3.604 -10.813 1.00 1.21 H new ATOM 0 HB3 ASP A 19 4.962 4.923 -9.716 1.00 1.21 H new ATOM 284 N MET A 20 6.652 4.484 -7.327 1.00 40.34 N ATOM 285 CA MET A 20 7.559 5.137 -6.347 1.00 14.02 C ATOM 286 C MET A 20 8.036 4.161 -5.241 1.00 54.23 C ATOM 287 O MET A 20 8.766 4.574 -4.335 1.00 15.22 O ATOM 288 CB MET A 20 6.903 6.405 -5.706 1.00 14.35 C ATOM 289 CG MET A 20 6.950 7.669 -6.585 1.00 14.14 C ATOM 290 SD MET A 20 5.768 7.650 -7.947 1.00 12.11 S ATOM 291 CE MET A 20 4.239 7.987 -7.086 1.00 74.50 C ATOM 0 H MET A 20 5.662 4.605 -7.114 1.00 40.34 H new ATOM 0 HA MET A 20 8.437 5.452 -6.911 1.00 14.02 H new ATOM 0 HB2 MET A 20 5.862 6.180 -5.472 1.00 14.35 H new ATOM 0 HB3 MET A 20 7.403 6.617 -4.761 1.00 14.35 H new ATOM 0 HG2 MET A 20 6.758 8.542 -5.961 1.00 14.14 H new ATOM 0 HG3 MET A 20 7.956 7.782 -6.990 1.00 14.14 H new ATOM 0 HE1 MET A 20 3.556 8.517 -7.751 1.00 74.50 H new ATOM 0 HE2 MET A 20 3.784 7.048 -6.772 1.00 74.50 H new ATOM 0 HE3 MET A 20 4.443 8.602 -6.210 1.00 74.50 H new ATOM 301 N GLY A 21 7.624 2.880 -5.327 1.00 74.15 N ATOM 302 CA GLY A 21 8.079 1.837 -4.393 1.00 21.22 C ATOM 303 C GLY A 21 7.138 1.661 -3.205 1.00 3.44 C ATOM 304 O GLY A 21 7.542 1.823 -2.046 1.00 13.21 O ATOM 0 H GLY A 21 6.974 2.545 -6.038 1.00 74.15 H new ATOM 0 HA2 GLY A 21 8.166 0.890 -4.926 1.00 21.22 H new ATOM 0 HA3 GLY A 21 9.075 2.090 -4.029 1.00 21.22 H new ATOM 308 N ALA A 22 5.866 1.361 -3.513 1.00 72.42 N ATOM 309 CA ALA A 22 4.839 1.007 -2.512 1.00 52.12 C ATOM 310 C ALA A 22 4.658 -0.513 -2.465 1.00 21.53 C ATOM 311 O ALA A 22 5.188 -1.232 -3.315 1.00 61.34 O ATOM 312 CB ALA A 22 3.503 1.698 -2.822 1.00 15.45 C ATOM 0 H ALA A 22 5.516 1.356 -4.471 1.00 72.42 H new ATOM 0 HA ALA A 22 5.176 1.355 -1.536 1.00 52.12 H new ATOM 0 HB1 ALA A 22 2.766 1.419 -2.069 1.00 15.45 H new ATOM 0 HB2 ALA A 22 3.641 2.779 -2.811 1.00 15.45 H new ATOM 0 HB3 ALA A 22 3.152 1.387 -3.806 1.00 15.45 H new ATOM 318 N ILE A 23 3.892 -0.999 -1.478 1.00 71.01 N ATOM 319 CA ILE A 23 3.675 -2.445 -1.272 1.00 34.44 C ATOM 320 C ILE A 23 2.178 -2.798 -1.372 1.00 2.24 C ATOM 321 O ILE A 23 1.318 -2.027 -0.931 1.00 14.44 O ATOM 322 CB ILE A 23 4.250 -2.910 0.131 1.00 12.31 C ATOM 323 CG1 ILE A 23 3.562 -2.146 1.313 1.00 61.35 C ATOM 324 CG2 ILE A 23 5.791 -2.735 0.194 1.00 71.22 C ATOM 325 CD1 ILE A 23 4.031 -2.542 2.712 1.00 12.53 C ATOM 0 H ILE A 23 3.407 -0.409 -0.802 1.00 71.01 H new ATOM 0 HA ILE A 23 4.210 -2.975 -2.060 1.00 34.44 H new ATOM 0 HB ILE A 23 4.023 -3.971 0.237 1.00 12.31 H new ATOM 0 HG12 ILE A 23 3.732 -1.078 1.180 1.00 61.35 H new ATOM 0 HG13 ILE A 23 2.486 -2.308 1.250 1.00 61.35 H new ATOM 0 HG21 ILE A 23 6.155 -3.062 1.168 1.00 71.22 H new ATOM 0 HG22 ILE A 23 6.258 -3.334 -0.588 1.00 71.22 H new ATOM 0 HG23 ILE A 23 6.044 -1.685 0.046 1.00 71.22 H new ATOM 0 HD11 ILE A 23 3.493 -1.955 3.456 1.00 12.53 H new ATOM 0 HD12 ILE A 23 3.835 -3.602 2.875 1.00 12.53 H new ATOM 0 HD13 ILE A 23 5.100 -2.353 2.804 1.00 12.53 H new ATOM 337 N TYR A 24 1.874 -3.963 -1.969 1.00 11.35 N ATOM 338 CA TYR A 24 0.540 -4.582 -1.899 1.00 23.42 C ATOM 339 C TYR A 24 0.591 -5.658 -0.814 1.00 64.01 C ATOM 340 O TYR A 24 1.372 -6.615 -0.922 1.00 32.55 O ATOM 341 CB TYR A 24 0.132 -5.254 -3.239 1.00 41.14 C ATOM 342 CG TYR A 24 -0.133 -4.309 -4.420 1.00 2.33 C ATOM 343 CD1 TYR A 24 -1.282 -3.519 -4.461 1.00 4.22 C ATOM 344 CD2 TYR A 24 0.730 -4.254 -5.518 1.00 53.30 C ATOM 345 CE1 TYR A 24 -1.556 -2.707 -5.548 1.00 71.50 C ATOM 346 CE2 TYR A 24 0.465 -3.438 -6.597 1.00 63.15 C ATOM 347 CZ TYR A 24 -0.678 -2.669 -6.612 1.00 55.13 C ATOM 348 OH TYR A 24 -0.951 -1.875 -7.707 1.00 74.54 O ATOM 0 H TYR A 24 2.547 -4.502 -2.514 1.00 11.35 H new ATOM 0 HA TYR A 24 -0.194 -3.806 -1.682 1.00 23.42 H new ATOM 0 HB2 TYR A 24 0.920 -5.949 -3.527 1.00 41.14 H new ATOM 0 HB3 TYR A 24 -0.767 -5.846 -3.066 1.00 41.14 H new ATOM 0 HD1 TYR A 24 -1.971 -3.541 -3.629 1.00 4.22 H new ATOM 0 HD2 TYR A 24 1.622 -4.863 -5.521 1.00 53.30 H new ATOM 0 HE1 TYR A 24 -2.453 -2.106 -5.563 1.00 71.50 H new ATOM 0 HE2 TYR A 24 1.152 -3.402 -7.429 1.00 63.15 H new ATOM 0 HH TYR A 24 -0.558 -0.987 -7.573 1.00 74.54 H new ATOM 358 N VAL A 25 -0.233 -5.502 0.225 1.00 73.01 N ATOM 359 CA VAL A 25 -0.349 -6.480 1.315 1.00 21.45 C ATOM 360 C VAL A 25 -1.729 -7.147 1.266 1.00 15.22 C ATOM 361 O VAL A 25 -2.581 -6.733 0.494 1.00 24.43 O ATOM 362 CB VAL A 25 -0.089 -5.823 2.733 1.00 44.33 C ATOM 363 CG1 VAL A 25 1.312 -5.162 2.799 1.00 24.32 C ATOM 364 CG2 VAL A 25 -1.204 -4.834 3.151 1.00 21.23 C ATOM 0 H VAL A 25 -0.842 -4.691 0.336 1.00 73.01 H new ATOM 0 HA VAL A 25 0.422 -7.237 1.173 1.00 21.45 H new ATOM 0 HB VAL A 25 -0.113 -6.635 3.460 1.00 44.33 H new ATOM 0 HG11 VAL A 25 1.460 -4.720 3.784 1.00 24.32 H new ATOM 0 HG12 VAL A 25 2.079 -5.916 2.620 1.00 24.32 H new ATOM 0 HG13 VAL A 25 1.384 -4.384 2.038 1.00 24.32 H new ATOM 0 HG21 VAL A 25 -0.971 -4.416 4.130 1.00 21.23 H new ATOM 0 HG22 VAL A 25 -1.270 -4.029 2.419 1.00 21.23 H new ATOM 0 HG23 VAL A 25 -2.158 -5.360 3.198 1.00 21.23 H new ATOM 374 N ASN A 26 -1.920 -8.208 2.053 1.00 55.12 N ATOM 375 CA ASN A 26 -3.226 -8.890 2.187 1.00 21.43 C ATOM 376 C ASN A 26 -3.978 -8.352 3.420 1.00 4.43 C ATOM 377 O ASN A 26 -3.528 -7.385 4.059 1.00 2.43 O ATOM 378 CB ASN A 26 -3.029 -10.430 2.288 1.00 14.40 C ATOM 379 CG ASN A 26 -2.246 -10.889 3.524 1.00 1.31 C ATOM 380 OD1 ASN A 26 -1.354 -10.200 4.023 1.00 35.00 O ATOM 381 ND2 ASN A 26 -2.594 -12.046 4.044 1.00 73.15 N ATOM 0 H ASN A 26 -1.180 -8.624 2.618 1.00 55.12 H new ATOM 0 HA ASN A 26 -3.824 -8.684 1.299 1.00 21.43 H new ATOM 0 HB2 ASN A 26 -4.008 -10.910 2.294 1.00 14.40 H new ATOM 0 HB3 ASN A 26 -2.510 -10.777 1.395 1.00 14.40 H new ATOM 0 HD21 ASN A 26 -2.122 -12.392 4.880 1.00 73.15 H new ATOM 0 HD22 ASN A 26 -3.336 -12.597 3.612 1.00 73.15 H new ATOM 388 N SER A 27 -5.109 -9.007 3.749 1.00 53.25 N ATOM 389 CA SER A 27 -5.948 -8.658 4.911 1.00 52.41 C ATOM 390 C SER A 27 -5.215 -8.908 6.249 1.00 3.11 C ATOM 391 O SER A 27 -5.666 -8.438 7.299 1.00 30.42 O ATOM 392 CB SER A 27 -7.281 -9.438 4.861 1.00 44.45 C ATOM 393 OG SER A 27 -8.170 -9.028 5.884 1.00 14.53 O ATOM 0 H SER A 27 -5.467 -9.797 3.213 1.00 53.25 H new ATOM 0 HA SER A 27 -6.161 -7.590 4.857 1.00 52.41 H new ATOM 0 HB2 SER A 27 -7.752 -9.290 3.889 1.00 44.45 H new ATOM 0 HB3 SER A 27 -7.081 -10.505 4.959 1.00 44.45 H new ATOM 0 HG SER A 27 -7.656 -8.713 6.657 1.00 14.53 H new ATOM 399 N LYS A 28 -4.098 -9.661 6.212 1.00 44.32 N ATOM 400 CA LYS A 28 -3.229 -9.837 7.391 1.00 55.51 C ATOM 401 C LYS A 28 -2.218 -8.683 7.479 1.00 1.55 C ATOM 402 O LYS A 28 -1.945 -8.164 8.558 1.00 22.14 O ATOM 403 CB LYS A 28 -2.503 -11.210 7.349 1.00 25.34 C ATOM 404 CG LYS A 28 -3.459 -12.429 7.367 1.00 14.22 C ATOM 405 CD LYS A 28 -4.427 -12.394 8.575 1.00 64.11 C ATOM 406 CE LYS A 28 -5.241 -13.678 8.737 1.00 43.25 C ATOM 407 NZ LYS A 28 -4.368 -14.863 8.949 1.00 33.00 N ATOM 0 H LYS A 28 -3.777 -10.156 5.380 1.00 44.32 H new ATOM 0 HA LYS A 28 -3.852 -9.821 8.285 1.00 55.51 H new ATOM 0 HB2 LYS A 28 -1.888 -11.257 6.450 1.00 25.34 H new ATOM 0 HB3 LYS A 28 -1.827 -11.278 8.202 1.00 25.34 H new ATOM 0 HG2 LYS A 28 -4.035 -12.451 6.442 1.00 14.22 H new ATOM 0 HG3 LYS A 28 -2.873 -13.348 7.399 1.00 14.22 H new ATOM 0 HD2 LYS A 28 -3.854 -12.218 9.485 1.00 64.11 H new ATOM 0 HD3 LYS A 28 -5.109 -11.552 8.460 1.00 64.11 H new ATOM 0 HE2 LYS A 28 -5.922 -13.572 9.582 1.00 43.25 H new ATOM 0 HE3 LYS A 28 -5.855 -13.833 7.850 1.00 43.25 H new ATOM 0 HZ1 LYS A 28 -4.940 -15.656 9.303 1.00 33.00 H new ATOM 0 HZ2 LYS A 28 -3.923 -15.132 8.048 1.00 33.00 H new ATOM 0 HZ3 LYS A 28 -3.630 -14.631 9.644 1.00 33.00 H new ATOM 421 N GLY A 29 -1.700 -8.260 6.320 1.00 64.31 N ATOM 422 CA GLY A 29 -0.685 -7.212 6.249 1.00 44.15 C ATOM 423 C GLY A 29 0.688 -7.810 6.011 1.00 23.41 C ATOM 424 O GLY A 29 1.566 -7.752 6.875 1.00 54.25 O ATOM 0 H GLY A 29 -1.973 -8.635 5.411 1.00 64.31 H new ATOM 0 HA2 GLY A 29 -0.929 -6.517 5.445 1.00 44.15 H new ATOM 0 HA3 GLY A 29 -0.682 -6.639 7.176 1.00 44.15 H new ATOM 428 N ASP A 30 0.838 -8.438 4.836 1.00 55.32 N ATOM 429 CA ASP A 30 2.121 -8.981 4.351 1.00 53.33 C ATOM 430 C ASP A 30 2.154 -8.893 2.821 1.00 65.25 C ATOM 431 O ASP A 30 1.122 -9.105 2.172 1.00 1.20 O ATOM 432 CB ASP A 30 2.313 -10.450 4.804 1.00 21.51 C ATOM 433 CG ASP A 30 3.636 -11.064 4.309 1.00 73.14 C ATOM 434 OD1 ASP A 30 4.709 -10.514 4.636 1.00 40.44 O ATOM 435 OD2 ASP A 30 3.611 -12.092 3.601 1.00 75.31 O ATOM 0 H ASP A 30 0.065 -8.586 4.187 1.00 55.32 H new ATOM 0 HA ASP A 30 2.935 -8.393 4.775 1.00 53.33 H new ATOM 0 HB2 ASP A 30 2.282 -10.496 5.893 1.00 21.51 H new ATOM 0 HB3 ASP A 30 1.480 -11.050 4.436 1.00 21.51 H new ATOM 440 N ARG A 31 3.348 -8.614 2.263 1.00 34.51 N ATOM 441 CA ARG A 31 3.533 -8.318 0.831 1.00 64.24 C ATOM 442 C ARG A 31 3.188 -9.537 -0.038 1.00 30.31 C ATOM 443 O ARG A 31 3.960 -10.500 -0.111 1.00 33.02 O ATOM 444 CB ARG A 31 4.987 -7.833 0.525 1.00 34.31 C ATOM 445 CG ARG A 31 5.331 -6.409 1.024 1.00 3.23 C ATOM 446 CD ARG A 31 5.450 -6.292 2.555 1.00 14.41 C ATOM 447 NE ARG A 31 6.522 -7.151 3.100 1.00 24.55 N ATOM 448 CZ ARG A 31 7.844 -6.946 2.930 1.00 11.21 C ATOM 449 NH1 ARG A 31 8.294 -5.923 2.211 1.00 13.22 N ATOM 450 NH2 ARG A 31 8.722 -7.787 3.457 1.00 34.11 N ATOM 0 H ARG A 31 4.216 -8.588 2.798 1.00 34.51 H new ATOM 0 HA ARG A 31 2.847 -7.509 0.582 1.00 64.24 H new ATOM 0 HB2 ARG A 31 5.688 -8.536 0.974 1.00 34.31 H new ATOM 0 HB3 ARG A 31 5.145 -7.870 -0.553 1.00 34.31 H new ATOM 0 HG2 ARG A 31 6.272 -6.094 0.572 1.00 3.23 H new ATOM 0 HG3 ARG A 31 4.563 -5.718 0.676 1.00 3.23 H new ATOM 0 HD2 ARG A 31 5.647 -5.254 2.824 1.00 14.41 H new ATOM 0 HD3 ARG A 31 4.500 -6.565 3.013 1.00 14.41 H new ATOM 0 HE ARG A 31 6.240 -7.963 3.648 1.00 24.55 H new ATOM 0 HH11 ARG A 31 7.636 -5.276 1.776 1.00 13.22 H new ATOM 0 HH12 ARG A 31 9.298 -5.784 2.094 1.00 13.22 H new ATOM 0 HH21 ARG A 31 8.399 -8.592 3.993 1.00 34.11 H new ATOM 0 HH22 ARG A 31 9.721 -7.629 3.327 1.00 34.11 H new ATOM 464 N ILE A 32 2.006 -9.497 -0.669 1.00 62.23 N ATOM 465 CA ILE A 32 1.571 -10.530 -1.627 1.00 3.53 C ATOM 466 C ILE A 32 2.239 -10.328 -2.997 1.00 61.50 C ATOM 467 O ILE A 32 2.352 -11.278 -3.781 1.00 72.34 O ATOM 468 CB ILE A 32 0.010 -10.559 -1.788 1.00 51.10 C ATOM 469 CG1 ILE A 32 -0.542 -9.193 -2.327 1.00 75.33 C ATOM 470 CG2 ILE A 32 -0.653 -10.951 -0.447 1.00 12.43 C ATOM 471 CD1 ILE A 32 -2.032 -9.184 -2.628 1.00 54.53 C ATOM 0 H ILE A 32 1.324 -8.751 -0.532 1.00 62.23 H new ATOM 0 HA ILE A 32 1.884 -11.492 -1.220 1.00 3.53 H new ATOM 0 HB ILE A 32 -0.244 -11.314 -2.532 1.00 51.10 H new ATOM 0 HG12 ILE A 32 -0.329 -8.416 -1.593 1.00 75.33 H new ATOM 0 HG13 ILE A 32 -0.000 -8.931 -3.236 1.00 75.33 H new ATOM 0 HG21 ILE A 32 -1.736 -10.969 -0.568 1.00 12.43 H new ATOM 0 HG22 ILE A 32 -0.306 -11.939 -0.144 1.00 12.43 H new ATOM 0 HG23 ILE A 32 -0.385 -10.222 0.318 1.00 12.43 H new ATOM 0 HD11 ILE A 32 -2.323 -8.200 -2.995 1.00 54.53 H new ATOM 0 HD12 ILE A 32 -2.255 -9.935 -3.386 1.00 54.53 H new ATOM 0 HD13 ILE A 32 -2.588 -9.411 -1.719 1.00 54.53 H new ATOM 483 N VAL A 33 2.672 -9.081 -3.258 1.00 54.21 N ATOM 484 CA VAL A 33 3.460 -8.721 -4.445 1.00 3.03 C ATOM 485 C VAL A 33 4.146 -7.354 -4.210 1.00 21.03 C ATOM 486 O VAL A 33 3.593 -6.481 -3.520 1.00 33.03 O ATOM 487 CB VAL A 33 2.587 -8.722 -5.769 1.00 22.33 C ATOM 488 CG1 VAL A 33 1.390 -7.761 -5.664 1.00 52.11 C ATOM 489 CG2 VAL A 33 3.438 -8.434 -7.028 1.00 43.03 C ATOM 0 H VAL A 33 2.481 -8.290 -2.643 1.00 54.21 H new ATOM 0 HA VAL A 33 4.227 -9.481 -4.594 1.00 3.03 H new ATOM 0 HB VAL A 33 2.186 -9.730 -5.880 1.00 22.33 H new ATOM 0 HG11 VAL A 33 0.817 -7.791 -6.591 1.00 52.11 H new ATOM 0 HG12 VAL A 33 0.752 -8.064 -4.833 1.00 52.11 H new ATOM 0 HG13 VAL A 33 1.751 -6.747 -5.493 1.00 52.11 H new ATOM 0 HG21 VAL A 33 2.798 -8.445 -7.910 1.00 43.03 H new ATOM 0 HG22 VAL A 33 3.909 -7.455 -6.933 1.00 43.03 H new ATOM 0 HG23 VAL A 33 4.208 -9.199 -7.129 1.00 43.03 H new ATOM 499 N ASN A 34 5.371 -7.208 -4.757 1.00 51.54 N ATOM 500 CA ASN A 34 6.203 -5.990 -4.611 1.00 30.00 C ATOM 501 C ASN A 34 5.713 -4.856 -5.573 1.00 43.42 C ATOM 502 O ASN A 34 4.690 -4.217 -5.282 1.00 52.10 O ATOM 503 CB ASN A 34 7.724 -6.350 -4.767 1.00 45.51 C ATOM 504 CG ASN A 34 8.100 -7.083 -6.076 1.00 45.20 C ATOM 505 OD1 ASN A 34 7.340 -7.896 -6.612 1.00 72.02 O ATOM 506 ND2 ASN A 34 9.252 -6.750 -6.636 1.00 74.12 N ATOM 0 H ASN A 34 5.816 -7.936 -5.317 1.00 51.54 H new ATOM 0 HA ASN A 34 6.087 -5.586 -3.606 1.00 30.00 H new ATOM 0 HB2 ASN A 34 8.306 -5.430 -4.705 1.00 45.51 H new ATOM 0 HB3 ASN A 34 8.021 -6.973 -3.923 1.00 45.51 H new ATOM 0 HD21 ASN A 34 9.526 -7.167 -7.526 1.00 74.12 H new ATOM 0 HD22 ASN A 34 9.866 -6.077 -6.178 1.00 74.12 H new ATOM 513 N GLU A 35 6.415 -4.617 -6.703 1.00 34.43 N ATOM 514 CA GLU A 35 5.965 -3.703 -7.773 1.00 30.24 C ATOM 515 C GLU A 35 4.816 -4.329 -8.573 1.00 11.32 C ATOM 516 O GLU A 35 4.646 -5.560 -8.605 1.00 15.53 O ATOM 517 CB GLU A 35 7.147 -3.363 -8.739 1.00 22.53 C ATOM 518 CG GLU A 35 8.141 -2.294 -8.233 1.00 64.33 C ATOM 519 CD GLU A 35 8.747 -2.577 -6.853 1.00 65.24 C ATOM 520 OE1 GLU A 35 9.316 -3.671 -6.656 1.00 22.55 O ATOM 521 OE2 GLU A 35 8.689 -1.686 -5.978 1.00 42.52 O ATOM 0 H GLU A 35 7.315 -5.056 -6.898 1.00 34.43 H new ATOM 0 HA GLU A 35 5.612 -2.785 -7.302 1.00 30.24 H new ATOM 0 HB2 GLU A 35 7.701 -4.280 -8.942 1.00 22.53 H new ATOM 0 HB3 GLU A 35 6.730 -3.025 -9.688 1.00 22.53 H new ATOM 0 HG2 GLU A 35 8.951 -2.200 -8.957 1.00 64.33 H new ATOM 0 HG3 GLU A 35 7.631 -1.331 -8.199 1.00 64.33 H new ATOM 528 N SER A 36 4.058 -3.460 -9.242 1.00 64.21 N ATOM 529 CA SER A 36 2.986 -3.846 -10.161 1.00 54.25 C ATOM 530 C SER A 36 3.597 -4.133 -11.548 1.00 41.45 C ATOM 531 O SER A 36 3.386 -3.381 -12.514 1.00 24.10 O ATOM 532 CB SER A 36 1.930 -2.719 -10.215 1.00 15.54 C ATOM 533 OG SER A 36 2.528 -1.466 -10.527 1.00 14.31 O ATOM 0 H SER A 36 4.174 -2.450 -9.159 1.00 64.21 H new ATOM 0 HA SER A 36 2.486 -4.752 -9.817 1.00 54.25 H new ATOM 0 HB2 SER A 36 1.175 -2.961 -10.963 1.00 15.54 H new ATOM 0 HB3 SER A 36 1.418 -2.651 -9.255 1.00 15.54 H new ATOM 0 HG SER A 36 2.617 -0.933 -9.709 1.00 14.31 H new ATOM 539 N ASN A 37 4.402 -5.211 -11.610 1.00 21.43 N ATOM 540 CA ASN A 37 5.076 -5.660 -12.849 1.00 2.25 C ATOM 541 C ASN A 37 4.045 -6.039 -13.918 1.00 14.12 C ATOM 542 O ASN A 37 4.201 -5.712 -15.101 1.00 53.11 O ATOM 543 CB ASN A 37 6.025 -6.850 -12.538 1.00 20.33 C ATOM 544 CG ASN A 37 7.247 -6.431 -11.710 1.00 72.41 C ATOM 545 OD1 ASN A 37 8.301 -6.106 -12.257 1.00 21.31 O ATOM 546 ND2 ASN A 37 7.120 -6.423 -10.391 1.00 51.13 N ATOM 0 H ASN A 37 4.605 -5.798 -10.801 1.00 21.43 H new ATOM 0 HA ASN A 37 5.675 -4.838 -13.242 1.00 2.25 H new ATOM 0 HB2 ASN A 37 5.472 -7.619 -11.999 1.00 20.33 H new ATOM 0 HB3 ASN A 37 6.361 -7.296 -13.474 1.00 20.33 H new ATOM 0 HD21 ASN A 37 7.906 -6.143 -9.805 1.00 51.13 H new ATOM 0 HD22 ASN A 37 6.236 -6.697 -9.962 1.00 51.13 H new ATOM 553 N VAL A 38 2.972 -6.695 -13.467 1.00 62.22 N ATOM 554 CA VAL A 38 1.785 -6.975 -14.283 1.00 71.30 C ATOM 555 C VAL A 38 0.568 -7.153 -13.350 1.00 24.54 C ATOM 556 O VAL A 38 0.721 -7.582 -12.199 1.00 74.41 O ATOM 557 CB VAL A 38 1.982 -8.232 -15.221 1.00 3.44 C ATOM 558 CG1 VAL A 38 2.243 -9.521 -14.413 1.00 50.11 C ATOM 559 CG2 VAL A 38 0.799 -8.393 -16.207 1.00 14.41 C ATOM 0 H VAL A 38 2.901 -7.051 -12.514 1.00 62.22 H new ATOM 0 HA VAL A 38 1.614 -6.129 -14.949 1.00 71.30 H new ATOM 0 HB VAL A 38 2.876 -8.053 -15.818 1.00 3.44 H new ATOM 0 HG11 VAL A 38 2.372 -10.359 -15.097 1.00 50.11 H new ATOM 0 HG12 VAL A 38 3.146 -9.399 -13.814 1.00 50.11 H new ATOM 0 HG13 VAL A 38 1.396 -9.716 -13.756 1.00 50.11 H new ATOM 0 HG21 VAL A 38 0.967 -9.267 -16.837 1.00 14.41 H new ATOM 0 HG22 VAL A 38 -0.127 -8.522 -15.646 1.00 14.41 H new ATOM 0 HG23 VAL A 38 0.723 -7.504 -16.833 1.00 14.41 H new ATOM 569 N TYR A 39 -0.635 -6.789 -13.838 1.00 70.31 N ATOM 570 CA TYR A 39 -1.905 -6.980 -13.093 1.00 21.24 C ATOM 571 C TYR A 39 -2.142 -8.463 -12.768 1.00 40.33 C ATOM 572 O TYR A 39 -2.802 -8.789 -11.778 1.00 74.22 O ATOM 573 CB TYR A 39 -3.107 -6.410 -13.898 1.00 52.31 C ATOM 574 CG TYR A 39 -3.320 -7.032 -15.295 1.00 65.35 C ATOM 575 CD1 TYR A 39 -4.120 -8.173 -15.487 1.00 5.03 C ATOM 576 CD2 TYR A 39 -2.715 -6.476 -16.426 1.00 75.41 C ATOM 577 CE1 TYR A 39 -4.297 -8.719 -16.742 1.00 41.43 C ATOM 578 CE2 TYR A 39 -2.895 -7.026 -17.679 1.00 20.33 C ATOM 579 CZ TYR A 39 -3.683 -8.142 -17.829 1.00 34.31 C ATOM 580 OH TYR A 39 -3.861 -8.682 -19.084 1.00 23.35 O ATOM 0 H TYR A 39 -0.758 -6.357 -14.754 1.00 70.31 H new ATOM 0 HA TYR A 39 -1.821 -6.434 -12.154 1.00 21.24 H new ATOM 0 HB2 TYR A 39 -4.015 -6.553 -13.313 1.00 52.31 H new ATOM 0 HB3 TYR A 39 -2.968 -5.335 -14.014 1.00 52.31 H new ATOM 0 HD1 TYR A 39 -4.604 -8.630 -14.637 1.00 5.03 H new ATOM 0 HD2 TYR A 39 -2.095 -5.599 -16.317 1.00 75.41 H new ATOM 0 HE1 TYR A 39 -4.915 -9.595 -16.870 1.00 41.43 H new ATOM 0 HE2 TYR A 39 -2.418 -6.581 -18.539 1.00 20.33 H new ATOM 0 HH TYR A 39 -3.360 -8.155 -19.741 1.00 23.35 H new ATOM 590 N THR A 40 -1.593 -9.337 -13.633 1.00 70.41 N ATOM 591 CA THR A 40 -1.752 -10.783 -13.538 1.00 22.33 C ATOM 592 C THR A 40 -1.139 -11.331 -12.228 1.00 42.42 C ATOM 593 O THR A 40 -1.822 -12.024 -11.493 1.00 73.45 O ATOM 594 CB THR A 40 -1.113 -11.488 -14.784 1.00 35.11 C ATOM 595 OG1 THR A 40 -1.512 -10.809 -15.990 1.00 40.12 O ATOM 596 CG2 THR A 40 -1.530 -12.960 -14.883 1.00 63.22 C ATOM 0 H THR A 40 -1.020 -9.045 -14.425 1.00 70.41 H new ATOM 0 HA THR A 40 -2.820 -11.003 -13.523 1.00 22.33 H new ATOM 0 HB THR A 40 -0.031 -11.444 -14.663 1.00 35.11 H new ATOM 0 HG1 THR A 40 -2.337 -10.306 -15.825 1.00 40.12 H new ATOM 0 HG21 THR A 40 -1.066 -13.412 -15.760 1.00 63.22 H new ATOM 0 HG22 THR A 40 -1.207 -13.491 -13.987 1.00 63.22 H new ATOM 0 HG23 THR A 40 -2.614 -13.026 -14.972 1.00 63.22 H new ATOM 604 N THR A 41 0.130 -10.953 -11.916 1.00 55.11 N ATOM 605 CA THR A 41 0.842 -11.451 -10.706 1.00 44.12 C ATOM 606 C THR A 41 0.154 -10.972 -9.411 1.00 3.44 C ATOM 607 O THR A 41 0.174 -11.672 -8.396 1.00 3.45 O ATOM 608 CB THR A 41 2.362 -11.041 -10.677 1.00 3.42 C ATOM 609 OG1 THR A 41 3.034 -11.681 -9.575 1.00 40.53 O ATOM 610 CG2 THR A 41 2.578 -9.518 -10.572 1.00 24.41 C ATOM 0 H THR A 41 0.680 -10.307 -12.483 1.00 55.11 H new ATOM 0 HA THR A 41 0.792 -12.538 -10.761 1.00 44.12 H new ATOM 0 HB THR A 41 2.781 -11.371 -11.628 1.00 3.42 H new ATOM 0 HG1 THR A 41 3.978 -11.418 -9.570 1.00 40.53 H new ATOM 0 HG21 THR A 41 3.646 -9.302 -10.557 1.00 24.41 H new ATOM 0 HG22 THR A 41 2.121 -9.026 -11.430 1.00 24.41 H new ATOM 0 HG23 THR A 41 2.120 -9.148 -9.655 1.00 24.41 H new ATOM 618 N PHE A 42 -0.449 -9.769 -9.475 1.00 23.52 N ATOM 619 CA PHE A 42 -1.206 -9.182 -8.359 1.00 55.44 C ATOM 620 C PHE A 42 -2.501 -9.975 -8.110 1.00 72.23 C ATOM 621 O PHE A 42 -2.786 -10.370 -6.973 1.00 73.13 O ATOM 622 CB PHE A 42 -1.513 -7.688 -8.661 1.00 55.35 C ATOM 623 CG PHE A 42 -2.467 -7.002 -7.670 1.00 55.24 C ATOM 624 CD1 PHE A 42 -2.188 -6.974 -6.302 1.00 22.30 C ATOM 625 CD2 PHE A 42 -3.642 -6.384 -8.110 1.00 42.40 C ATOM 626 CE1 PHE A 42 -3.050 -6.358 -5.414 1.00 14.23 C ATOM 627 CE2 PHE A 42 -4.501 -5.768 -7.219 1.00 60.35 C ATOM 628 CZ PHE A 42 -4.205 -5.756 -5.872 1.00 24.23 C ATOM 0 H PHE A 42 -0.423 -9.178 -10.306 1.00 23.52 H new ATOM 0 HA PHE A 42 -0.605 -9.235 -7.451 1.00 55.44 H new ATOM 0 HB2 PHE A 42 -0.573 -7.137 -8.676 1.00 55.35 H new ATOM 0 HB3 PHE A 42 -1.941 -7.617 -9.661 1.00 55.35 H new ATOM 0 HD1 PHE A 42 -1.286 -7.440 -5.933 1.00 22.30 H new ATOM 0 HD2 PHE A 42 -3.882 -6.388 -9.163 1.00 42.40 H new ATOM 0 HE1 PHE A 42 -2.819 -6.348 -4.359 1.00 14.23 H new ATOM 0 HE2 PHE A 42 -5.404 -5.296 -7.578 1.00 60.35 H new ATOM 0 HZ PHE A 42 -4.877 -5.276 -5.176 1.00 24.23 H new ATOM 638 N ARG A 43 -3.261 -10.217 -9.195 1.00 32.22 N ATOM 639 CA ARG A 43 -4.548 -10.925 -9.142 1.00 23.44 C ATOM 640 C ARG A 43 -4.349 -12.375 -8.666 1.00 31.35 C ATOM 641 O ARG A 43 -5.073 -12.851 -7.782 1.00 42.13 O ATOM 642 CB ARG A 43 -5.223 -10.903 -10.538 1.00 64.21 C ATOM 643 CG ARG A 43 -6.631 -11.535 -10.572 1.00 41.42 C ATOM 644 CD ARG A 43 -7.246 -11.523 -11.979 1.00 24.34 C ATOM 645 NE ARG A 43 -8.646 -11.991 -11.987 1.00 23.32 N ATOM 646 CZ ARG A 43 -9.692 -11.278 -12.440 1.00 65.21 C ATOM 647 NH1 ARG A 43 -9.519 -10.047 -12.935 1.00 54.22 N ATOM 648 NH2 ARG A 43 -10.907 -11.800 -12.396 1.00 34.42 N ATOM 0 H ARG A 43 -2.996 -9.924 -10.135 1.00 32.22 H new ATOM 0 HA ARG A 43 -5.196 -10.417 -8.428 1.00 23.44 H new ATOM 0 HB2 ARG A 43 -5.293 -9.870 -10.879 1.00 64.21 H new ATOM 0 HB3 ARG A 43 -4.584 -11.430 -11.246 1.00 64.21 H new ATOM 0 HG2 ARG A 43 -6.574 -12.562 -10.213 1.00 41.42 H new ATOM 0 HG3 ARG A 43 -7.285 -10.994 -9.888 1.00 41.42 H new ATOM 0 HD2 ARG A 43 -7.202 -10.512 -12.383 1.00 24.34 H new ATOM 0 HD3 ARG A 43 -6.651 -12.155 -12.638 1.00 24.34 H new ATOM 0 HE ARG A 43 -8.834 -12.925 -11.622 1.00 23.32 H new ATOM 0 HH11 ARG A 43 -8.585 -9.639 -12.972 1.00 54.22 H new ATOM 0 HH12 ARG A 43 -10.321 -9.517 -13.275 1.00 54.22 H new ATOM 0 HH21 ARG A 43 -11.046 -12.738 -12.020 1.00 34.42 H new ATOM 0 HH22 ARG A 43 -11.705 -11.264 -12.738 1.00 34.42 H new ATOM 662 N ASN A 44 -3.323 -13.043 -9.241 1.00 55.34 N ATOM 663 CA ASN A 44 -2.962 -14.436 -8.906 1.00 71.24 C ATOM 664 C ASN A 44 -2.596 -14.548 -7.425 1.00 22.23 C ATOM 665 O ASN A 44 -3.027 -15.477 -6.766 1.00 0.11 O ATOM 666 CB ASN A 44 -1.774 -14.969 -9.767 1.00 63.34 C ATOM 667 CG ASN A 44 -2.034 -14.993 -11.277 1.00 21.23 C ATOM 668 OD1 ASN A 44 -0.964 -15.015 -12.063 1.00 63.24 O flip ATOM 669 ND2 ASN A 44 -3.179 -15.018 -11.737 1.00 42.13 N flip ATOM 0 H ASN A 44 -2.721 -12.628 -9.952 1.00 55.34 H new ATOM 0 HA ASN A 44 -3.837 -15.047 -9.126 1.00 71.24 H new ATOM 0 HB2 ASN A 44 -0.897 -14.351 -9.573 1.00 63.34 H new ATOM 0 HB3 ASN A 44 -1.530 -15.979 -9.438 1.00 63.34 H new ATOM 0 HD21 ASN A 44 -3.982 -15.000 -11.108 1.00 42.13 H new ATOM 0 HD22 ASN A 44 -3.322 -15.057 -12.746 1.00 42.13 H new ATOM 676 N ALA A 45 -1.824 -13.559 -6.926 1.00 61.54 N ATOM 677 CA ALA A 45 -1.366 -13.506 -5.522 1.00 53.05 C ATOM 678 C ALA A 45 -2.548 -13.438 -4.530 1.00 24.42 C ATOM 679 O ALA A 45 -2.485 -14.034 -3.454 1.00 63.21 O ATOM 680 CB ALA A 45 -0.433 -12.308 -5.315 1.00 71.41 C ATOM 0 H ALA A 45 -1.500 -12.772 -7.488 1.00 61.54 H new ATOM 0 HA ALA A 45 -0.821 -14.428 -5.320 1.00 53.05 H new ATOM 0 HB1 ALA A 45 -0.102 -12.280 -4.277 1.00 71.41 H new ATOM 0 HB2 ALA A 45 0.433 -12.404 -5.969 1.00 71.41 H new ATOM 0 HB3 ALA A 45 -0.966 -11.387 -5.551 1.00 71.41 H new ATOM 686 N ILE A 46 -3.618 -12.711 -4.919 1.00 74.42 N ATOM 687 CA ILE A 46 -4.871 -12.606 -4.132 1.00 42.23 C ATOM 688 C ILE A 46 -5.606 -13.969 -4.100 1.00 71.32 C ATOM 689 O ILE A 46 -6.057 -14.429 -3.042 1.00 55.21 O ATOM 690 CB ILE A 46 -5.823 -11.501 -4.735 1.00 5.31 C ATOM 691 CG1 ILE A 46 -5.135 -10.103 -4.710 1.00 63.24 C ATOM 692 CG2 ILE A 46 -7.185 -11.460 -3.998 1.00 4.24 C ATOM 693 CD1 ILE A 46 -5.960 -8.987 -5.332 1.00 11.14 C ATOM 0 H ILE A 46 -3.639 -12.179 -5.789 1.00 74.42 H new ATOM 0 HA ILE A 46 -4.605 -12.320 -3.114 1.00 42.23 H new ATOM 0 HB ILE A 46 -6.020 -11.767 -5.774 1.00 5.31 H new ATOM 0 HG12 ILE A 46 -4.911 -9.840 -3.676 1.00 63.24 H new ATOM 0 HG13 ILE A 46 -4.182 -10.171 -5.235 1.00 63.24 H new ATOM 0 HG21 ILE A 46 -7.815 -10.688 -4.440 1.00 4.24 H new ATOM 0 HG22 ILE A 46 -7.678 -12.428 -4.091 1.00 4.24 H new ATOM 0 HG23 ILE A 46 -7.022 -11.236 -2.944 1.00 4.24 H new ATOM 0 HD11 ILE A 46 -5.407 -8.049 -5.273 1.00 11.14 H new ATOM 0 HD12 ILE A 46 -6.163 -9.223 -6.377 1.00 11.14 H new ATOM 0 HD13 ILE A 46 -6.902 -8.887 -4.793 1.00 11.14 H new ATOM 705 N LEU A 47 -5.693 -14.609 -5.284 1.00 63.22 N ATOM 706 CA LEU A 47 -6.365 -15.915 -5.456 1.00 33.21 C ATOM 707 C LEU A 47 -5.558 -17.047 -4.779 1.00 0.31 C ATOM 708 O LEU A 47 -6.118 -18.048 -4.339 1.00 41.23 O ATOM 709 CB LEU A 47 -6.565 -16.217 -6.967 1.00 52.44 C ATOM 710 CG LEU A 47 -7.352 -15.139 -7.782 1.00 72.32 C ATOM 711 CD1 LEU A 47 -7.415 -15.508 -9.278 1.00 52.23 C ATOM 712 CD2 LEU A 47 -8.761 -14.897 -7.191 1.00 32.53 C ATOM 0 H LEU A 47 -5.300 -14.236 -6.148 1.00 63.22 H new ATOM 0 HA LEU A 47 -7.341 -15.865 -4.974 1.00 33.21 H new ATOM 0 HB2 LEU A 47 -5.584 -16.346 -7.425 1.00 52.44 H new ATOM 0 HB3 LEU A 47 -7.088 -17.169 -7.061 1.00 52.44 H new ATOM 0 HG LEU A 47 -6.806 -14.199 -7.701 1.00 72.32 H new ATOM 0 HD11 LEU A 47 -7.968 -14.740 -9.819 1.00 52.23 H new ATOM 0 HD12 LEU A 47 -6.404 -15.577 -9.679 1.00 52.23 H new ATOM 0 HD13 LEU A 47 -7.918 -16.468 -9.395 1.00 52.23 H new ATOM 0 HD21 LEU A 47 -9.279 -14.142 -7.783 1.00 32.53 H new ATOM 0 HD22 LEU A 47 -9.329 -15.827 -7.212 1.00 32.53 H new ATOM 0 HD23 LEU A 47 -8.669 -14.551 -6.161 1.00 32.53 H new ATOM 724 N LYS A 48 -4.243 -16.830 -4.703 1.00 23.31 N ATOM 725 CA LYS A 48 -3.247 -17.754 -4.127 1.00 75.14 C ATOM 726 C LYS A 48 -3.280 -17.688 -2.595 1.00 30.54 C ATOM 727 O LYS A 48 -3.097 -18.694 -1.904 1.00 61.02 O ATOM 728 CB LYS A 48 -1.860 -17.311 -4.659 1.00 62.13 C ATOM 729 CG LYS A 48 -0.634 -18.060 -4.136 1.00 3.52 C ATOM 730 CD LYS A 48 0.668 -17.339 -4.559 1.00 42.23 C ATOM 731 CE LYS A 48 1.923 -18.061 -4.094 1.00 43.20 C ATOM 732 NZ LYS A 48 1.969 -18.211 -2.615 1.00 20.13 N ATOM 0 H LYS A 48 -3.819 -15.971 -5.054 1.00 23.31 H new ATOM 0 HA LYS A 48 -3.461 -18.784 -4.413 1.00 75.14 H new ATOM 0 HB2 LYS A 48 -1.872 -17.401 -5.745 1.00 62.13 H new ATOM 0 HB3 LYS A 48 -1.733 -16.253 -4.428 1.00 62.13 H new ATOM 0 HG2 LYS A 48 -0.680 -18.130 -3.049 1.00 3.52 H new ATOM 0 HG3 LYS A 48 -0.633 -19.080 -4.521 1.00 3.52 H new ATOM 0 HD2 LYS A 48 0.690 -17.246 -5.645 1.00 42.23 H new ATOM 0 HD3 LYS A 48 0.665 -16.327 -4.153 1.00 42.23 H new ATOM 0 HE2 LYS A 48 1.967 -19.046 -4.559 1.00 43.20 H new ATOM 0 HE3 LYS A 48 2.802 -17.511 -4.429 1.00 43.20 H new ATOM 0 HZ1 LYS A 48 2.892 -18.600 -2.334 1.00 20.13 H new ATOM 0 HZ2 LYS A 48 1.834 -17.282 -2.167 1.00 20.13 H new ATOM 0 HZ3 LYS A 48 1.213 -18.856 -2.308 1.00 20.13 H new ATOM 785 N LYS A 52 -9.059 -12.872 0.227 1.00 41.03 N ATOM 786 CA LYS A 52 -9.359 -12.419 -1.150 1.00 74.42 C ATOM 787 C LYS A 52 -9.415 -10.889 -1.262 1.00 14.52 C ATOM 788 O LYS A 52 -9.947 -10.362 -2.249 1.00 23.12 O ATOM 789 CB LYS A 52 -10.702 -13.055 -1.643 1.00 3.43 C ATOM 790 CG LYS A 52 -10.611 -14.578 -1.861 1.00 30.41 C ATOM 791 CD LYS A 52 -9.650 -14.950 -3.028 1.00 71.14 C ATOM 792 CE LYS A 52 -9.095 -16.372 -2.897 1.00 60.03 C ATOM 793 NZ LYS A 52 -8.232 -16.495 -1.696 1.00 4.43 N ATOM 0 HA LYS A 52 -8.543 -12.755 -1.790 1.00 74.42 H new ATOM 0 HB2 LYS A 52 -11.485 -12.845 -0.914 1.00 3.43 H new ATOM 0 HB3 LYS A 52 -11.001 -12.578 -2.577 1.00 3.43 H new ATOM 0 HG2 LYS A 52 -10.266 -15.054 -0.943 1.00 30.41 H new ATOM 0 HG3 LYS A 52 -11.605 -14.973 -2.071 1.00 30.41 H new ATOM 0 HD2 LYS A 52 -10.180 -14.856 -3.976 1.00 71.14 H new ATOM 0 HD3 LYS A 52 -8.823 -14.241 -3.054 1.00 71.14 H new ATOM 0 HE2 LYS A 52 -9.918 -17.083 -2.833 1.00 60.03 H new ATOM 0 HE3 LYS A 52 -8.522 -16.627 -3.789 1.00 60.03 H new ATOM 0 HZ1 LYS A 52 -7.564 -17.281 -1.828 1.00 4.43 H new ATOM 0 HZ2 LYS A 52 -7.703 -15.611 -1.557 1.00 4.43 H new ATOM 0 HZ3 LYS A 52 -8.824 -16.679 -0.861 1.00 4.43 H new ATOM 807 N VAL A 53 -8.829 -10.171 -0.291 1.00 2.41 N ATOM 808 CA VAL A 53 -8.765 -8.697 -0.334 1.00 72.34 C ATOM 809 C VAL A 53 -7.339 -8.221 -0.006 1.00 14.43 C ATOM 810 O VAL A 53 -6.724 -8.646 0.982 1.00 71.51 O ATOM 811 CB VAL A 53 -9.837 -8.019 0.607 1.00 13.00 C ATOM 812 CG1 VAL A 53 -9.707 -8.476 2.073 1.00 52.14 C ATOM 813 CG2 VAL A 53 -9.809 -6.473 0.477 1.00 63.54 C ATOM 0 H VAL A 53 -8.393 -10.584 0.533 1.00 2.41 H new ATOM 0 HA VAL A 53 -9.013 -8.382 -1.348 1.00 72.34 H new ATOM 0 HB VAL A 53 -10.816 -8.358 0.267 1.00 13.00 H new ATOM 0 HG11 VAL A 53 -10.467 -7.981 2.677 1.00 52.14 H new ATOM 0 HG12 VAL A 53 -9.844 -9.556 2.131 1.00 52.14 H new ATOM 0 HG13 VAL A 53 -8.718 -8.215 2.449 1.00 52.14 H new ATOM 0 HG21 VAL A 53 -10.559 -6.039 1.138 1.00 63.54 H new ATOM 0 HG22 VAL A 53 -8.822 -6.102 0.755 1.00 63.54 H new ATOM 0 HG23 VAL A 53 -10.026 -6.191 -0.553 1.00 63.54 H new ATOM 823 N ALA A 54 -6.835 -7.335 -0.863 1.00 44.23 N ATOM 824 CA ALA A 54 -5.508 -6.741 -0.745 1.00 74.44 C ATOM 825 C ALA A 54 -5.633 -5.289 -0.261 1.00 64.30 C ATOM 826 O ALA A 54 -6.735 -4.733 -0.201 1.00 21.24 O ATOM 827 CB ALA A 54 -4.796 -6.803 -2.101 1.00 34.30 C ATOM 0 H ALA A 54 -7.352 -7.003 -1.678 1.00 44.23 H new ATOM 0 HA ALA A 54 -4.918 -7.298 -0.017 1.00 74.44 H new ATOM 0 HB1 ALA A 54 -3.805 -6.359 -2.012 1.00 34.30 H new ATOM 0 HB2 ALA A 54 -4.701 -7.842 -2.415 1.00 34.30 H new ATOM 0 HB3 ALA A 54 -5.375 -6.252 -2.842 1.00 34.30 H new ATOM 833 N TYR A 55 -4.491 -4.695 0.103 1.00 11.23 N ATOM 834 CA TYR A 55 -4.399 -3.327 0.627 1.00 34.51 C ATOM 835 C TYR A 55 -3.078 -2.701 0.157 1.00 2.52 C ATOM 836 O TYR A 55 -1.998 -3.125 0.571 1.00 32.52 O ATOM 837 CB TYR A 55 -4.479 -3.320 2.181 1.00 5.24 C ATOM 838 CG TYR A 55 -5.843 -3.738 2.760 1.00 45.21 C ATOM 839 CD1 TYR A 55 -6.881 -2.808 2.887 1.00 42.21 C ATOM 840 CD2 TYR A 55 -6.096 -5.051 3.179 1.00 32.04 C ATOM 841 CE1 TYR A 55 -8.106 -3.170 3.406 1.00 64.40 C ATOM 842 CE2 TYR A 55 -7.324 -5.411 3.697 1.00 22.12 C ATOM 843 CZ TYR A 55 -8.323 -4.468 3.808 1.00 35.22 C ATOM 844 OH TYR A 55 -9.547 -4.829 4.326 1.00 73.14 O ATOM 0 H TYR A 55 -3.586 -5.161 0.040 1.00 11.23 H new ATOM 0 HA TYR A 55 -5.238 -2.742 0.250 1.00 34.51 H new ATOM 0 HB2 TYR A 55 -3.713 -3.989 2.573 1.00 5.24 H new ATOM 0 HB3 TYR A 55 -4.240 -2.318 2.538 1.00 5.24 H new ATOM 0 HD1 TYR A 55 -6.719 -1.787 2.573 1.00 42.21 H new ATOM 0 HD2 TYR A 55 -5.317 -5.794 3.095 1.00 32.04 H new ATOM 0 HE1 TYR A 55 -8.893 -2.436 3.497 1.00 64.40 H new ATOM 0 HE2 TYR A 55 -7.501 -6.428 4.014 1.00 22.12 H new ATOM 0 HH TYR A 55 -9.535 -5.781 4.560 1.00 73.14 H new ATOM 854 N LEU A 56 -3.177 -1.712 -0.726 1.00 2.32 N ATOM 855 CA LEU A 56 -2.020 -0.987 -1.258 1.00 54.32 C ATOM 856 C LEU A 56 -1.586 0.095 -0.254 1.00 33.50 C ATOM 857 O LEU A 56 -2.239 1.130 -0.120 1.00 23.31 O ATOM 858 CB LEU A 56 -2.382 -0.379 -2.635 1.00 54.34 C ATOM 859 CG LEU A 56 -1.303 0.525 -3.318 1.00 21.42 C ATOM 860 CD1 LEU A 56 0.065 -0.178 -3.468 1.00 10.30 C ATOM 861 CD2 LEU A 56 -1.831 1.034 -4.667 1.00 41.33 C ATOM 0 H LEU A 56 -4.069 -1.386 -1.098 1.00 2.32 H new ATOM 0 HA LEU A 56 -1.181 -1.668 -1.401 1.00 54.32 H new ATOM 0 HB2 LEU A 56 -2.618 -1.197 -3.315 1.00 54.34 H new ATOM 0 HB3 LEU A 56 -3.292 0.210 -2.517 1.00 54.34 H new ATOM 0 HG LEU A 56 -1.123 1.377 -2.663 1.00 21.42 H new ATOM 0 HD11 LEU A 56 0.771 0.499 -3.948 1.00 10.30 H new ATOM 0 HD12 LEU A 56 0.441 -0.456 -2.483 1.00 10.30 H new ATOM 0 HD13 LEU A 56 -0.051 -1.074 -4.078 1.00 10.30 H new ATOM 0 HD21 LEU A 56 -1.076 1.663 -5.139 1.00 41.33 H new ATOM 0 HD22 LEU A 56 -2.053 0.186 -5.314 1.00 41.33 H new ATOM 0 HD23 LEU A 56 -2.739 1.615 -4.506 1.00 41.33 H new ATOM 873 N VAL A 57 -0.497 -0.193 0.464 1.00 42.41 N ATOM 874 CA VAL A 57 0.056 0.693 1.498 1.00 42.42 C ATOM 875 C VAL A 57 1.225 1.514 0.911 1.00 72.14 C ATOM 876 O VAL A 57 2.148 0.944 0.309 1.00 1.32 O ATOM 877 CB VAL A 57 0.553 -0.142 2.744 1.00 45.14 C ATOM 878 CG1 VAL A 57 1.089 0.770 3.871 1.00 23.31 C ATOM 879 CG2 VAL A 57 -0.567 -1.083 3.259 1.00 24.42 C ATOM 0 H VAL A 57 0.033 -1.056 0.344 1.00 42.41 H new ATOM 0 HA VAL A 57 -0.730 1.371 1.832 1.00 42.42 H new ATOM 0 HB VAL A 57 1.387 -0.761 2.414 1.00 45.14 H new ATOM 0 HG11 VAL A 57 1.420 0.157 4.709 1.00 23.31 H new ATOM 0 HG12 VAL A 57 1.928 1.356 3.496 1.00 23.31 H new ATOM 0 HG13 VAL A 57 0.297 1.441 4.204 1.00 23.31 H new ATOM 0 HG21 VAL A 57 -0.202 -1.648 4.117 1.00 24.42 H new ATOM 0 HG22 VAL A 57 -1.432 -0.490 3.556 1.00 24.42 H new ATOM 0 HG23 VAL A 57 -0.855 -1.773 2.466 1.00 24.42 H new ATOM 889 N MET A 58 1.165 2.849 1.077 1.00 4.34 N ATOM 890 CA MET A 58 2.248 3.768 0.674 1.00 42.34 C ATOM 891 C MET A 58 2.411 4.881 1.731 1.00 44.14 C ATOM 892 O MET A 58 1.664 4.945 2.708 1.00 70.23 O ATOM 893 CB MET A 58 1.980 4.384 -0.742 1.00 41.11 C ATOM 894 CG MET A 58 0.902 5.485 -0.813 1.00 2.42 C ATOM 895 SD MET A 58 -0.760 4.908 -0.424 1.00 10.41 S ATOM 896 CE MET A 58 -1.074 3.815 -1.798 1.00 5.11 C ATOM 0 H MET A 58 0.364 3.322 1.495 1.00 4.34 H new ATOM 0 HA MET A 58 3.175 3.198 0.611 1.00 42.34 H new ATOM 0 HB2 MET A 58 2.916 4.796 -1.119 1.00 41.11 H new ATOM 0 HB3 MET A 58 1.692 3.578 -1.417 1.00 41.11 H new ATOM 0 HG2 MET A 58 1.169 6.285 -0.123 1.00 2.42 H new ATOM 0 HG3 MET A 58 0.901 5.915 -1.815 1.00 2.42 H new ATOM 0 HE1 MET A 58 -1.295 2.815 -1.424 1.00 5.11 H new ATOM 0 HE2 MET A 58 -1.925 4.185 -2.370 1.00 5.11 H new ATOM 0 HE3 MET A 58 -0.194 3.776 -2.441 1.00 5.11 H new ATOM 906 N ASP A 59 3.420 5.727 1.521 1.00 2.44 N ATOM 907 CA ASP A 59 3.638 6.977 2.282 1.00 23.23 C ATOM 908 C ASP A 59 2.870 8.127 1.606 1.00 44.22 C ATOM 909 O ASP A 59 2.462 8.010 0.441 1.00 33.10 O ATOM 910 CB ASP A 59 5.157 7.299 2.329 1.00 64.52 C ATOM 911 CG ASP A 59 5.777 7.374 0.924 1.00 61.03 C ATOM 912 OD1 ASP A 59 6.020 6.307 0.320 1.00 34.33 O ATOM 913 OD2 ASP A 59 5.955 8.479 0.387 1.00 3.52 O ATOM 0 H ASP A 59 4.128 5.567 0.804 1.00 2.44 H new ATOM 0 HA ASP A 59 3.272 6.856 3.302 1.00 23.23 H new ATOM 0 HB2 ASP A 59 5.310 8.248 2.843 1.00 64.52 H new ATOM 0 HB3 ASP A 59 5.671 6.534 2.911 1.00 64.52 H new ATOM 918 N GLU A 60 2.719 9.246 2.334 1.00 72.23 N ATOM 919 CA GLU A 60 1.931 10.401 1.868 1.00 41.41 C ATOM 920 C GLU A 60 2.592 11.126 0.672 1.00 62.25 C ATOM 921 O GLU A 60 1.872 11.679 -0.158 1.00 13.42 O ATOM 922 CB GLU A 60 1.632 11.394 3.028 1.00 55.21 C ATOM 923 CG GLU A 60 0.670 12.542 2.630 1.00 31.40 C ATOM 924 CD GLU A 60 0.253 13.457 3.786 1.00 42.31 C ATOM 925 OE1 GLU A 60 1.059 14.321 4.195 1.00 33.05 O ATOM 926 OE2 GLU A 60 -0.894 13.334 4.272 1.00 12.42 O ATOM 0 H GLU A 60 3.136 9.376 3.256 1.00 72.23 H new ATOM 0 HA GLU A 60 0.981 10.002 1.512 1.00 41.41 H new ATOM 0 HB2 GLU A 60 1.201 10.844 3.864 1.00 55.21 H new ATOM 0 HB3 GLU A 60 2.571 11.823 3.379 1.00 55.21 H new ATOM 0 HG2 GLU A 60 1.147 13.147 1.859 1.00 31.40 H new ATOM 0 HG3 GLU A 60 -0.226 12.109 2.186 1.00 31.40 H new ATOM 933 N ARG A 61 3.945 11.082 0.560 1.00 1.31 N ATOM 934 CA ARG A 61 4.673 11.732 -0.569 1.00 74.13 C ATOM 935 C ARG A 61 4.205 11.097 -1.899 1.00 41.51 C ATOM 936 O ARG A 61 3.885 11.791 -2.873 1.00 64.34 O ATOM 937 CB ARG A 61 6.218 11.544 -0.454 1.00 73.41 C ATOM 938 CG ARG A 61 6.846 11.797 0.933 1.00 51.23 C ATOM 939 CD ARG A 61 6.719 13.248 1.433 1.00 63.51 C ATOM 940 NE ARG A 61 7.623 13.481 2.572 1.00 62.04 N ATOM 941 CZ ARG A 61 7.268 13.732 3.838 1.00 55.44 C ATOM 942 NH1 ARG A 61 5.986 13.793 4.209 1.00 52.23 N ATOM 943 NH2 ARG A 61 8.214 13.879 4.745 1.00 71.31 N ATOM 0 H ARG A 61 4.552 10.609 1.229 1.00 1.31 H new ATOM 0 HA ARG A 61 4.453 12.799 -0.536 1.00 74.13 H new ATOM 0 HB2 ARG A 61 6.460 10.525 -0.756 1.00 73.41 H new ATOM 0 HB3 ARG A 61 6.696 12.211 -1.171 1.00 73.41 H new ATOM 0 HG2 ARG A 61 6.375 11.133 1.658 1.00 51.23 H new ATOM 0 HG3 ARG A 61 7.902 11.530 0.895 1.00 51.23 H new ATOM 0 HD2 ARG A 61 6.957 13.940 0.625 1.00 63.51 H new ATOM 0 HD3 ARG A 61 5.690 13.448 1.731 1.00 63.51 H new ATOM 0 HE ARG A 61 8.623 13.448 2.376 1.00 62.04 H new ATOM 0 HH11 ARG A 61 5.248 13.646 3.520 1.00 52.23 H new ATOM 0 HH12 ARG A 61 5.745 13.986 5.181 1.00 52.23 H new ATOM 0 HH21 ARG A 61 9.195 13.801 4.476 1.00 71.31 H new ATOM 0 HH22 ARG A 61 7.965 14.071 5.715 1.00 71.31 H new ATOM 957 N THR A 62 4.157 9.752 -1.878 1.00 43.12 N ATOM 958 CA THR A 62 3.687 8.919 -2.991 1.00 25.15 C ATOM 959 C THR A 62 2.176 9.138 -3.259 1.00 33.01 C ATOM 960 O THR A 62 1.741 9.147 -4.420 1.00 65.03 O ATOM 961 CB THR A 62 3.988 7.414 -2.672 1.00 61.24 C ATOM 962 OG1 THR A 62 5.409 7.237 -2.543 1.00 64.30 O ATOM 963 CG2 THR A 62 3.459 6.438 -3.739 1.00 35.34 C ATOM 0 H THR A 62 4.451 9.206 -1.068 1.00 43.12 H new ATOM 0 HA THR A 62 4.218 9.208 -3.898 1.00 25.15 H new ATOM 0 HB THR A 62 3.467 7.180 -1.744 1.00 61.24 H new ATOM 0 HG1 THR A 62 5.614 6.866 -1.659 1.00 64.30 H new ATOM 0 HG21 THR A 62 3.704 5.416 -3.451 1.00 35.34 H new ATOM 0 HG22 THR A 62 2.377 6.542 -3.823 1.00 35.34 H new ATOM 0 HG23 THR A 62 3.921 6.664 -4.700 1.00 35.34 H new ATOM 971 N TRP A 63 1.396 9.346 -2.172 1.00 23.10 N ATOM 972 CA TRP A 63 -0.051 9.632 -2.265 1.00 31.42 C ATOM 973 C TRP A 63 -0.323 10.975 -2.967 1.00 12.32 C ATOM 974 O TRP A 63 -1.305 11.078 -3.687 1.00 72.22 O ATOM 975 CB TRP A 63 -0.733 9.617 -0.868 1.00 75.01 C ATOM 976 CG TRP A 63 -2.156 10.167 -0.865 1.00 51.50 C ATOM 977 CD1 TRP A 63 -2.549 11.418 -0.468 1.00 20.13 C ATOM 978 CD2 TRP A 63 -3.348 9.510 -1.335 1.00 44.04 C ATOM 979 NE1 TRP A 63 -3.903 11.562 -0.622 1.00 43.22 N ATOM 980 CE2 TRP A 63 -4.418 10.410 -1.151 1.00 75.31 C ATOM 981 CE3 TRP A 63 -3.623 8.247 -1.867 1.00 23.41 C ATOM 982 CZ2 TRP A 63 -5.730 10.092 -1.489 1.00 73.12 C ATOM 983 CZ3 TRP A 63 -4.926 7.936 -2.209 1.00 20.54 C ATOM 984 CH2 TRP A 63 -5.967 8.854 -2.016 1.00 65.54 C ATOM 0 H TRP A 63 1.750 9.320 -1.216 1.00 23.10 H new ATOM 0 HA TRP A 63 -0.485 8.834 -2.868 1.00 31.42 H new ATOM 0 HB2 TRP A 63 -0.750 8.593 -0.494 1.00 75.01 H new ATOM 0 HB3 TRP A 63 -0.128 10.200 -0.174 1.00 75.01 H new ATOM 0 HD1 TRP A 63 -1.886 12.182 -0.088 1.00 20.13 H new ATOM 0 HE1 TRP A 63 -4.441 12.395 -0.381 1.00 43.22 H new ATOM 0 HE3 TRP A 63 -2.831 7.526 -2.008 1.00 23.41 H new ATOM 0 HZ2 TRP A 63 -6.533 10.799 -1.340 1.00 73.12 H new ATOM 0 HZ3 TRP A 63 -5.146 6.967 -2.633 1.00 20.54 H new ATOM 0 HH2 TRP A 63 -6.975 8.578 -2.289 1.00 65.54 H new ATOM 995 N LYS A 64 0.542 11.994 -2.755 1.00 14.43 N ATOM 996 CA LYS A 64 0.391 13.322 -3.400 1.00 32.43 C ATOM 997 C LYS A 64 0.305 13.202 -4.935 1.00 3.55 C ATOM 998 O LYS A 64 -0.328 14.031 -5.593 1.00 40.43 O ATOM 999 CB LYS A 64 1.561 14.259 -3.017 1.00 50.40 C ATOM 1000 CG LYS A 64 1.687 14.557 -1.513 1.00 53.11 C ATOM 1001 CD LYS A 64 0.377 15.103 -0.890 1.00 23.15 C ATOM 1002 CE LYS A 64 0.592 15.661 0.525 1.00 43.01 C ATOM 1003 NZ LYS A 64 -0.653 16.244 1.100 1.00 51.51 N ATOM 0 H LYS A 64 1.354 11.923 -2.141 1.00 14.43 H new ATOM 0 HA LYS A 64 -0.543 13.749 -3.035 1.00 32.43 H new ATOM 0 HB2 LYS A 64 2.493 13.813 -3.363 1.00 50.40 H new ATOM 0 HB3 LYS A 64 1.442 15.202 -3.551 1.00 50.40 H new ATOM 0 HG2 LYS A 64 1.978 13.645 -0.991 1.00 53.11 H new ATOM 0 HG3 LYS A 64 2.486 15.282 -1.358 1.00 53.11 H new ATOM 0 HD2 LYS A 64 -0.027 15.887 -1.530 1.00 23.15 H new ATOM 0 HD3 LYS A 64 -0.366 14.306 -0.855 1.00 23.15 H new ATOM 0 HE2 LYS A 64 0.952 14.864 1.176 1.00 43.01 H new ATOM 0 HE3 LYS A 64 1.369 16.425 0.497 1.00 43.01 H new ATOM 0 HZ1 LYS A 64 -0.458 16.607 2.055 1.00 51.51 H new ATOM 0 HZ2 LYS A 64 -0.984 17.022 0.495 1.00 51.51 H new ATOM 0 HZ3 LYS A 64 -1.388 15.510 1.152 1.00 51.51 H new ATOM 1017 N LYS A 65 0.941 12.144 -5.474 1.00 1.21 N ATOM 1018 CA LYS A 65 0.890 11.814 -6.902 1.00 41.51 C ATOM 1019 C LYS A 65 -0.409 11.068 -7.250 1.00 71.21 C ATOM 1020 O LYS A 65 -1.059 11.408 -8.222 1.00 13.13 O ATOM 1021 CB LYS A 65 2.120 10.962 -7.304 1.00 34.24 C ATOM 1022 CG LYS A 65 3.479 11.618 -6.985 1.00 71.42 C ATOM 1023 CD LYS A 65 3.697 12.973 -7.690 1.00 31.45 C ATOM 1024 CE LYS A 65 3.618 12.867 -9.216 1.00 42.42 C ATOM 1025 NZ LYS A 65 4.019 14.139 -9.873 1.00 52.45 N ATOM 0 H LYS A 65 1.505 11.495 -4.925 1.00 1.21 H new ATOM 0 HA LYS A 65 0.908 12.748 -7.464 1.00 41.51 H new ATOM 0 HB2 LYS A 65 2.065 10.001 -6.792 1.00 34.24 H new ATOM 0 HB3 LYS A 65 2.071 10.757 -8.373 1.00 34.24 H new ATOM 0 HG2 LYS A 65 3.558 11.763 -5.908 1.00 71.42 H new ATOM 0 HG3 LYS A 65 4.278 10.936 -7.274 1.00 71.42 H new ATOM 0 HD2 LYS A 65 2.948 13.684 -7.340 1.00 31.45 H new ATOM 0 HD3 LYS A 65 4.671 13.372 -7.408 1.00 31.45 H new ATOM 0 HE2 LYS A 65 4.265 12.060 -9.559 1.00 42.42 H new ATOM 0 HE3 LYS A 65 2.601 12.609 -9.511 1.00 42.42 H new ATOM 0 HZ1 LYS A 65 3.954 14.032 -10.905 1.00 52.45 H new ATOM 0 HZ2 LYS A 65 3.386 14.904 -9.564 1.00 52.45 H new ATOM 0 HZ3 LYS A 65 4.998 14.372 -9.610 1.00 52.45 H new ATOM 1039 N VAL A 66 -0.776 10.064 -6.422 1.00 62.10 N ATOM 1040 CA VAL A 66 -1.979 9.224 -6.640 1.00 22.43 C ATOM 1041 C VAL A 66 -3.258 10.089 -6.644 1.00 44.33 C ATOM 1042 O VAL A 66 -4.014 10.083 -7.616 1.00 44.35 O ATOM 1043 CB VAL A 66 -2.090 8.085 -5.551 1.00 31.01 C ATOM 1044 CG1 VAL A 66 -3.354 7.213 -5.756 1.00 41.41 C ATOM 1045 CG2 VAL A 66 -0.807 7.219 -5.540 1.00 45.14 C ATOM 0 H VAL A 66 -0.249 9.812 -5.586 1.00 62.10 H new ATOM 0 HA VAL A 66 -1.876 8.749 -7.616 1.00 22.43 H new ATOM 0 HB VAL A 66 -2.189 8.565 -4.577 1.00 31.01 H new ATOM 0 HG11 VAL A 66 -3.393 6.442 -4.987 1.00 41.41 H new ATOM 0 HG12 VAL A 66 -4.243 7.839 -5.687 1.00 41.41 H new ATOM 0 HG13 VAL A 66 -3.317 6.743 -6.739 1.00 41.41 H new ATOM 0 HG21 VAL A 66 -0.901 6.439 -4.784 1.00 45.14 H new ATOM 0 HG22 VAL A 66 -0.669 6.760 -6.519 1.00 45.14 H new ATOM 0 HG23 VAL A 66 0.054 7.847 -5.309 1.00 45.14 H new ATOM 1055 N TYR A 67 -3.438 10.853 -5.552 1.00 74.23 N ATOM 1056 CA TYR A 67 -4.525 11.842 -5.370 1.00 34.24 C ATOM 1057 C TYR A 67 -4.623 12.816 -6.565 1.00 14.13 C ATOM 1058 O TYR A 67 -5.729 13.111 -7.059 1.00 24.02 O ATOM 1059 CB TYR A 67 -4.263 12.642 -4.063 1.00 55.15 C ATOM 1060 CG TYR A 67 -5.318 13.713 -3.739 1.00 53.41 C ATOM 1061 CD1 TYR A 67 -6.545 13.358 -3.182 1.00 54.45 C ATOM 1062 CD2 TYR A 67 -5.093 15.076 -3.997 1.00 24.21 C ATOM 1063 CE1 TYR A 67 -7.509 14.309 -2.901 1.00 72.12 C ATOM 1064 CE2 TYR A 67 -6.059 16.028 -3.712 1.00 75.14 C ATOM 1065 CZ TYR A 67 -7.263 15.638 -3.163 1.00 51.13 C ATOM 1066 OH TYR A 67 -8.231 16.583 -2.887 1.00 21.32 O ATOM 0 H TYR A 67 -2.815 10.801 -4.746 1.00 74.23 H new ATOM 0 HA TYR A 67 -5.471 11.304 -5.307 1.00 34.24 H new ATOM 0 HB2 TYR A 67 -4.209 11.941 -3.230 1.00 55.15 H new ATOM 0 HB3 TYR A 67 -3.288 13.124 -4.138 1.00 55.15 H new ATOM 0 HD1 TYR A 67 -6.747 12.319 -2.965 1.00 54.45 H new ATOM 0 HD2 TYR A 67 -4.151 15.387 -4.425 1.00 24.21 H new ATOM 0 HE1 TYR A 67 -8.455 14.009 -2.476 1.00 72.12 H new ATOM 0 HE2 TYR A 67 -5.870 17.071 -3.919 1.00 75.14 H new ATOM 0 HH TYR A 67 -7.898 17.472 -3.129 1.00 21.32 H new ATOM 1076 N ASP A 68 -3.439 13.306 -7.001 1.00 15.34 N ATOM 1077 CA ASP A 68 -3.311 14.237 -8.135 1.00 1.51 C ATOM 1078 C ASP A 68 -3.848 13.591 -9.423 1.00 41.13 C ATOM 1079 O ASP A 68 -4.701 14.166 -10.096 1.00 4.41 O ATOM 1080 CB ASP A 68 -1.831 14.669 -8.341 1.00 40.35 C ATOM 1081 CG ASP A 68 -1.641 15.620 -9.540 1.00 44.13 C ATOM 1082 OD1 ASP A 68 -1.856 16.844 -9.382 1.00 62.04 O ATOM 1083 OD2 ASP A 68 -1.269 15.148 -10.648 1.00 10.40 O ATOM 0 H ASP A 68 -2.546 13.063 -6.572 1.00 15.34 H new ATOM 0 HA ASP A 68 -3.901 15.124 -7.906 1.00 1.51 H new ATOM 0 HB2 ASP A 68 -1.472 15.159 -7.436 1.00 40.35 H new ATOM 0 HB3 ASP A 68 -1.216 13.781 -8.488 1.00 40.35 H new ATOM 1088 N LEU A 69 -3.372 12.353 -9.696 1.00 4.23 N ATOM 1089 CA LEU A 69 -3.683 11.595 -10.924 1.00 65.12 C ATOM 1090 C LEU A 69 -5.174 11.230 -11.013 1.00 43.10 C ATOM 1091 O LEU A 69 -5.726 11.127 -12.125 1.00 72.14 O ATOM 1092 CB LEU A 69 -2.810 10.314 -10.995 1.00 12.34 C ATOM 1093 CG LEU A 69 -1.283 10.548 -11.199 1.00 75.35 C ATOM 1094 CD1 LEU A 69 -0.500 9.222 -11.098 1.00 1.14 C ATOM 1095 CD2 LEU A 69 -1.009 11.272 -12.535 1.00 43.23 C ATOM 0 H LEU A 69 -2.754 11.849 -9.060 1.00 4.23 H new ATOM 0 HA LEU A 69 -3.454 12.237 -11.775 1.00 65.12 H new ATOM 0 HB2 LEU A 69 -2.952 9.748 -10.075 1.00 12.34 H new ATOM 0 HB3 LEU A 69 -3.176 9.692 -11.812 1.00 12.34 H new ATOM 0 HG LEU A 69 -0.929 11.196 -10.397 1.00 75.35 H new ATOM 0 HD11 LEU A 69 0.563 9.415 -11.244 1.00 1.14 H new ATOM 0 HD12 LEU A 69 -0.657 8.781 -10.114 1.00 1.14 H new ATOM 0 HD13 LEU A 69 -0.852 8.532 -11.865 1.00 1.14 H new ATOM 0 HD21 LEU A 69 0.064 11.423 -12.653 1.00 43.23 H new ATOM 0 HD22 LEU A 69 -1.383 10.666 -13.360 1.00 43.23 H new ATOM 0 HD23 LEU A 69 -1.514 12.238 -12.536 1.00 43.23 H new ATOM 1107 N LEU A 70 -5.806 11.025 -9.837 1.00 55.25 N ATOM 1108 CA LEU A 70 -7.253 10.764 -9.731 1.00 42.45 C ATOM 1109 C LEU A 70 -8.044 11.932 -10.344 1.00 40.01 C ATOM 1110 O LEU A 70 -8.791 11.752 -11.316 1.00 22.54 O ATOM 1111 CB LEU A 70 -7.659 10.532 -8.242 1.00 51.00 C ATOM 1112 CG LEU A 70 -7.096 9.239 -7.582 1.00 11.11 C ATOM 1113 CD1 LEU A 70 -7.515 9.130 -6.097 1.00 31.11 C ATOM 1114 CD2 LEU A 70 -7.509 7.991 -8.391 1.00 74.21 C ATOM 0 H LEU A 70 -5.326 11.036 -8.937 1.00 55.25 H new ATOM 0 HA LEU A 70 -7.491 9.858 -10.287 1.00 42.45 H new ATOM 0 HB2 LEU A 70 -7.329 11.390 -7.657 1.00 51.00 H new ATOM 0 HB3 LEU A 70 -8.747 10.505 -8.181 1.00 51.00 H new ATOM 0 HG LEU A 70 -6.008 9.298 -7.597 1.00 11.11 H new ATOM 0 HD11 LEU A 70 -7.104 8.216 -5.669 1.00 31.11 H new ATOM 0 HD12 LEU A 70 -7.134 9.991 -5.547 1.00 31.11 H new ATOM 0 HD13 LEU A 70 -8.602 9.107 -6.027 1.00 31.11 H new ATOM 0 HD21 LEU A 70 -7.106 7.098 -7.913 1.00 74.21 H new ATOM 0 HD22 LEU A 70 -8.596 7.924 -8.427 1.00 74.21 H new ATOM 0 HD23 LEU A 70 -7.117 8.069 -9.405 1.00 74.21 H new ATOM 1126 N ILE A 71 -7.785 13.140 -9.812 1.00 71.31 N ATOM 1127 CA ILE A 71 -8.431 14.389 -10.263 1.00 20.20 C ATOM 1128 C ILE A 71 -7.991 14.747 -11.699 1.00 32.10 C ATOM 1129 O ILE A 71 -8.768 15.292 -12.486 1.00 24.04 O ATOM 1130 CB ILE A 71 -8.093 15.578 -9.284 1.00 3.11 C ATOM 1131 CG1 ILE A 71 -8.448 15.185 -7.815 1.00 62.43 C ATOM 1132 CG2 ILE A 71 -8.818 16.885 -9.706 1.00 11.01 C ATOM 1133 CD1 ILE A 71 -8.116 16.233 -6.777 1.00 73.15 C ATOM 0 H ILE A 71 -7.118 13.279 -9.053 1.00 71.31 H new ATOM 0 HA ILE A 71 -9.509 14.228 -10.259 1.00 20.20 H new ATOM 0 HB ILE A 71 -7.022 15.772 -9.341 1.00 3.11 H new ATOM 0 HG12 ILE A 71 -9.514 14.966 -7.761 1.00 62.43 H new ATOM 0 HG13 ILE A 71 -7.920 14.265 -7.563 1.00 62.43 H new ATOM 0 HG21 ILE A 71 -8.563 17.684 -9.010 1.00 11.01 H new ATOM 0 HG22 ILE A 71 -8.505 17.166 -10.711 1.00 11.01 H new ATOM 0 HG23 ILE A 71 -9.896 16.723 -9.693 1.00 11.01 H new ATOM 0 HD11 ILE A 71 -8.399 15.869 -5.789 1.00 73.15 H new ATOM 0 HD12 ILE A 71 -7.046 16.437 -6.796 1.00 73.15 H new ATOM 0 HD13 ILE A 71 -8.664 17.149 -6.997 1.00 73.15 H new ATOM 1145 N LEU A 72 -6.738 14.391 -12.025 1.00 4.31 N ATOM 1146 CA LEU A 72 -6.105 14.694 -13.318 1.00 74.22 C ATOM 1147 C LEU A 72 -6.878 14.006 -14.465 1.00 55.43 C ATOM 1148 O LEU A 72 -7.143 14.633 -15.496 1.00 5.12 O ATOM 1149 CB LEU A 72 -4.596 14.278 -13.251 1.00 72.41 C ATOM 1150 CG LEU A 72 -3.642 14.669 -14.436 1.00 73.33 C ATOM 1151 CD1 LEU A 72 -3.750 13.703 -15.635 1.00 52.25 C ATOM 1152 CD2 LEU A 72 -3.853 16.147 -14.866 1.00 54.44 C ATOM 0 H LEU A 72 -6.128 13.878 -11.389 1.00 4.31 H new ATOM 0 HA LEU A 72 -6.143 15.763 -13.527 1.00 74.22 H new ATOM 0 HB2 LEU A 72 -4.178 14.704 -12.339 1.00 72.41 H new ATOM 0 HB3 LEU A 72 -4.559 13.194 -13.143 1.00 72.41 H new ATOM 0 HG LEU A 72 -2.623 14.573 -14.061 1.00 73.33 H new ATOM 0 HD11 LEU A 72 -3.068 14.023 -16.423 1.00 52.25 H new ATOM 0 HD12 LEU A 72 -3.487 12.695 -15.315 1.00 52.25 H new ATOM 0 HD13 LEU A 72 -4.772 13.708 -16.015 1.00 52.25 H new ATOM 0 HD21 LEU A 72 -3.178 16.387 -15.688 1.00 54.44 H new ATOM 0 HD22 LEU A 72 -4.884 16.288 -15.190 1.00 54.44 H new ATOM 0 HD23 LEU A 72 -3.645 16.805 -14.022 1.00 54.44 H new ATOM 1164 N HIS A 73 -7.251 12.724 -14.272 1.00 32.31 N ATOM 1165 CA HIS A 73 -8.023 11.982 -15.285 1.00 62.11 C ATOM 1166 C HIS A 73 -9.531 12.276 -15.153 1.00 41.23 C ATOM 1167 O HIS A 73 -10.062 13.007 -15.980 1.00 12.21 O ATOM 1168 CB HIS A 73 -7.731 10.456 -15.192 1.00 3.44 C ATOM 1169 CG HIS A 73 -6.407 10.054 -15.779 1.00 12.31 C ATOM 1170 ND1 HIS A 73 -6.285 9.543 -17.052 1.00 74.54 N ATOM 1171 CD2 HIS A 73 -5.148 10.103 -15.277 1.00 2.00 C ATOM 1172 CE1 HIS A 73 -5.021 9.298 -17.308 1.00 11.20 C ATOM 1173 NE2 HIS A 73 -4.311 9.630 -16.251 1.00 22.51 N ATOM 0 H HIS A 73 -7.032 12.187 -13.433 1.00 32.31 H new ATOM 0 HA HIS A 73 -7.707 12.321 -16.272 1.00 62.11 H new ATOM 0 HB2 HIS A 73 -7.761 10.153 -14.145 1.00 3.44 H new ATOM 0 HB3 HIS A 73 -8.525 9.912 -15.704 1.00 3.44 H new ATOM 0 HD2 HIS A 73 -4.861 10.449 -14.295 1.00 2.00 H new ATOM 0 HE1 HIS A 73 -4.630 8.893 -18.230 1.00 11.20 H new ATOM 0 HE2 HIS A 73 -3.298 9.548 -16.170 1.00 22.51 H new ATOM 1182 N ASP A 74 -10.159 11.819 -14.047 1.00 33.42 N ATOM 1183 CA ASP A 74 -11.627 11.949 -13.782 1.00 35.02 C ATOM 1184 C ASP A 74 -11.949 11.290 -12.427 1.00 11.13 C ATOM 1185 O ASP A 74 -12.308 10.103 -12.385 1.00 64.43 O ATOM 1186 CB ASP A 74 -12.548 11.297 -14.893 1.00 10.24 C ATOM 1187 CG ASP A 74 -12.863 12.189 -16.108 1.00 63.43 C ATOM 1188 OD1 ASP A 74 -13.545 13.216 -15.934 1.00 65.41 O ATOM 1189 OD2 ASP A 74 -12.435 11.870 -17.241 1.00 54.43 O ATOM 0 H ASP A 74 -9.661 11.341 -13.296 1.00 33.42 H new ATOM 0 HA ASP A 74 -11.846 13.017 -13.783 1.00 35.02 H new ATOM 0 HB2 ASP A 74 -12.066 10.386 -15.249 1.00 10.24 H new ATOM 0 HB3 ASP A 74 -13.489 11.000 -14.430 1.00 10.24 H new ATOM 1194 N PHE A 75 -11.774 12.048 -11.326 1.00 11.22 N ATOM 1195 CA PHE A 75 -12.128 11.598 -9.965 1.00 54.33 C ATOM 1196 C PHE A 75 -11.981 12.796 -9.007 1.00 31.24 C ATOM 1197 O PHE A 75 -10.898 13.063 -8.484 1.00 64.41 O ATOM 1198 CB PHE A 75 -11.245 10.390 -9.522 1.00 12.14 C ATOM 1199 CG PHE A 75 -11.853 9.503 -8.447 1.00 72.25 C ATOM 1200 CD1 PHE A 75 -13.119 8.951 -8.620 1.00 12.21 C ATOM 1201 CD2 PHE A 75 -11.161 9.200 -7.279 1.00 61.11 C ATOM 1202 CE1 PHE A 75 -13.667 8.132 -7.659 1.00 3.35 C ATOM 1203 CE2 PHE A 75 -11.711 8.373 -6.323 1.00 43.31 C ATOM 1204 CZ PHE A 75 -12.964 7.842 -6.512 1.00 74.14 C ATOM 0 H PHE A 75 -11.383 12.990 -11.355 1.00 11.22 H new ATOM 0 HA PHE A 75 -13.159 11.245 -9.946 1.00 54.33 H new ATOM 0 HB2 PHE A 75 -11.030 9.777 -10.397 1.00 12.14 H new ATOM 0 HB3 PHE A 75 -10.291 10.772 -9.159 1.00 12.14 H new ATOM 0 HD1 PHE A 75 -13.678 9.168 -9.518 1.00 12.21 H new ATOM 0 HD2 PHE A 75 -10.178 9.619 -7.119 1.00 61.11 H new ATOM 0 HE1 PHE A 75 -14.653 7.715 -7.806 1.00 3.35 H new ATOM 0 HE2 PHE A 75 -11.157 8.142 -5.425 1.00 43.31 H new ATOM 0 HZ PHE A 75 -13.397 7.198 -5.761 1.00 74.14 H new ATOM 1214 N THR A 76 -13.094 13.525 -8.821 1.00 60.51 N ATOM 1215 CA THR A 76 -13.125 14.842 -8.155 1.00 75.13 C ATOM 1216 C THR A 76 -12.805 14.702 -6.631 1.00 72.44 C ATOM 1217 O THR A 76 -13.065 13.633 -6.058 1.00 55.32 O ATOM 1218 CB THR A 76 -14.531 15.534 -8.417 1.00 73.52 C ATOM 1219 OG1 THR A 76 -14.415 16.962 -8.380 1.00 62.33 O ATOM 1220 CG2 THR A 76 -15.629 15.094 -7.424 1.00 2.41 C ATOM 0 H THR A 76 -14.013 13.213 -9.133 1.00 60.51 H new ATOM 0 HA THR A 76 -12.351 15.483 -8.576 1.00 75.13 H new ATOM 0 HB THR A 76 -14.835 15.205 -9.411 1.00 73.52 H new ATOM 0 HG1 THR A 76 -15.292 17.366 -8.546 1.00 62.33 H new ATOM 0 HG21 THR A 76 -16.561 15.606 -7.662 1.00 2.41 H new ATOM 0 HG22 THR A 76 -15.777 14.017 -7.499 1.00 2.41 H new ATOM 0 HG23 THR A 76 -15.325 15.349 -6.409 1.00 2.41 H new ATOM 1228 N PRO A 77 -12.216 15.758 -5.954 1.00 42.12 N ATOM 1229 CA PRO A 77 -11.845 15.699 -4.508 1.00 51.54 C ATOM 1230 C PRO A 77 -13.005 15.292 -3.584 1.00 4.30 C ATOM 1231 O PRO A 77 -12.777 14.562 -2.613 1.00 72.44 O ATOM 1232 CB PRO A 77 -11.335 17.134 -4.183 1.00 43.44 C ATOM 1233 CG PRO A 77 -11.781 17.986 -5.331 1.00 33.43 C ATOM 1234 CD PRO A 77 -11.803 17.064 -6.534 1.00 41.32 C ATOM 0 HA PRO A 77 -11.096 14.927 -4.332 1.00 51.54 H new ATOM 0 HB2 PRO A 77 -11.750 17.495 -3.242 1.00 43.44 H new ATOM 0 HB3 PRO A 77 -10.250 17.151 -4.080 1.00 43.44 H new ATOM 0 HG2 PRO A 77 -12.767 18.411 -5.144 1.00 33.43 H new ATOM 0 HG3 PRO A 77 -11.098 18.821 -5.489 1.00 33.43 H new ATOM 0 HD2 PRO A 77 -12.506 17.408 -7.292 1.00 41.32 H new ATOM 0 HD3 PRO A 77 -10.825 17.001 -7.011 1.00 41.32 H new ATOM 1242 N GLU A 78 -14.240 15.761 -3.909 1.00 44.02 N ATOM 1243 CA GLU A 78 -15.462 15.416 -3.148 1.00 12.13 C ATOM 1244 C GLU A 78 -15.732 13.897 -3.163 1.00 10.51 C ATOM 1245 O GLU A 78 -16.215 13.353 -2.173 1.00 75.33 O ATOM 1246 CB GLU A 78 -16.704 16.211 -3.651 1.00 20.13 C ATOM 1247 CG GLU A 78 -16.681 17.718 -3.304 1.00 34.33 C ATOM 1248 CD GLU A 78 -17.940 18.464 -3.776 1.00 22.12 C ATOM 1249 OE1 GLU A 78 -18.011 18.835 -4.967 1.00 74.54 O ATOM 1250 OE2 GLU A 78 -18.879 18.666 -2.967 1.00 23.40 O ATOM 0 H GLU A 78 -14.411 16.383 -4.699 1.00 44.02 H new ATOM 0 HA GLU A 78 -15.283 15.711 -2.114 1.00 12.13 H new ATOM 0 HB2 GLU A 78 -16.777 16.101 -4.733 1.00 20.13 H new ATOM 0 HB3 GLU A 78 -17.603 15.766 -3.224 1.00 20.13 H new ATOM 0 HG2 GLU A 78 -16.580 17.835 -2.225 1.00 34.33 H new ATOM 0 HG3 GLU A 78 -15.802 18.176 -3.758 1.00 34.33 H new ATOM 1257 N GLU A 79 -15.382 13.216 -4.272 1.00 51.14 N ATOM 1258 CA GLU A 79 -15.486 11.745 -4.370 1.00 65.50 C ATOM 1259 C GLU A 79 -14.450 11.059 -3.468 1.00 25.01 C ATOM 1260 O GLU A 79 -14.809 10.229 -2.627 1.00 75.55 O ATOM 1261 CB GLU A 79 -15.315 11.266 -5.843 1.00 42.31 C ATOM 1262 CG GLU A 79 -16.506 11.594 -6.758 1.00 64.20 C ATOM 1263 CD GLU A 79 -17.799 10.930 -6.268 1.00 35.15 C ATOM 1264 OE1 GLU A 79 -18.009 9.747 -6.571 1.00 64.33 O ATOM 1265 OE2 GLU A 79 -18.589 11.575 -5.550 1.00 41.24 O ATOM 0 H GLU A 79 -15.023 13.663 -5.116 1.00 51.14 H new ATOM 0 HA GLU A 79 -16.483 11.464 -4.030 1.00 65.50 H new ATOM 0 HB2 GLU A 79 -14.416 11.722 -6.259 1.00 42.31 H new ATOM 0 HB3 GLU A 79 -15.156 10.188 -5.846 1.00 42.31 H new ATOM 0 HG2 GLU A 79 -16.645 12.674 -6.800 1.00 64.20 H new ATOM 0 HG3 GLU A 79 -16.288 11.261 -7.773 1.00 64.20 H new ATOM 1272 N ILE A 80 -13.177 11.453 -3.647 1.00 44.35 N ATOM 1273 CA ILE A 80 -12.022 10.884 -2.924 1.00 13.44 C ATOM 1274 C ILE A 80 -12.235 10.915 -1.390 1.00 14.40 C ATOM 1275 O ILE A 80 -12.099 9.889 -0.710 1.00 31.30 O ATOM 1276 CB ILE A 80 -10.698 11.652 -3.314 1.00 23.04 C ATOM 1277 CG1 ILE A 80 -10.539 11.701 -4.871 1.00 33.43 C ATOM 1278 CG2 ILE A 80 -9.459 11.001 -2.642 1.00 32.40 C ATOM 1279 CD1 ILE A 80 -9.367 12.516 -5.377 1.00 45.43 C ATOM 0 H ILE A 80 -12.916 12.186 -4.307 1.00 44.35 H new ATOM 0 HA ILE A 80 -11.927 9.840 -3.221 1.00 13.44 H new ATOM 0 HB ILE A 80 -10.770 12.675 -2.946 1.00 23.04 H new ATOM 0 HG12 ILE A 80 -10.438 10.681 -5.242 1.00 33.43 H new ATOM 0 HG13 ILE A 80 -11.455 12.107 -5.301 1.00 33.43 H new ATOM 0 HG21 ILE A 80 -8.561 11.549 -2.927 1.00 32.40 H new ATOM 0 HG22 ILE A 80 -9.575 11.032 -1.559 1.00 32.40 H new ATOM 0 HG23 ILE A 80 -9.371 9.965 -2.968 1.00 32.40 H new ATOM 0 HD11 ILE A 80 -9.346 12.486 -6.466 1.00 45.43 H new ATOM 0 HD12 ILE A 80 -9.471 13.549 -5.045 1.00 45.43 H new ATOM 0 HD13 ILE A 80 -8.439 12.101 -4.985 1.00 45.43 H new ATOM 1291 N LYS A 81 -12.673 12.085 -0.883 1.00 44.40 N ATOM 1292 CA LYS A 81 -12.829 12.331 0.562 1.00 5.20 C ATOM 1293 C LYS A 81 -14.052 11.589 1.160 1.00 42.35 C ATOM 1294 O LYS A 81 -14.109 11.370 2.376 1.00 54.40 O ATOM 1295 CB LYS A 81 -12.872 13.854 0.848 1.00 53.34 C ATOM 1296 CG LYS A 81 -14.100 14.601 0.291 1.00 40.13 C ATOM 1297 CD LYS A 81 -13.901 16.138 0.240 1.00 65.43 C ATOM 1298 CE LYS A 81 -13.593 16.766 1.612 1.00 4.45 C ATOM 1299 NZ LYS A 81 -14.698 16.569 2.587 1.00 43.03 N ATOM 0 H LYS A 81 -12.928 12.884 -1.464 1.00 44.40 H new ATOM 0 HA LYS A 81 -11.956 11.917 1.066 1.00 5.20 H new ATOM 0 HB2 LYS A 81 -12.836 14.004 1.927 1.00 53.34 H new ATOM 0 HB3 LYS A 81 -11.973 14.309 0.433 1.00 53.34 H new ATOM 0 HG2 LYS A 81 -14.317 14.235 -0.712 1.00 40.13 H new ATOM 0 HG3 LYS A 81 -14.969 14.373 0.909 1.00 40.13 H new ATOM 0 HD2 LYS A 81 -13.086 16.368 -0.446 1.00 65.43 H new ATOM 0 HD3 LYS A 81 -14.801 16.599 -0.167 1.00 65.43 H new ATOM 0 HE2 LYS A 81 -12.678 16.329 2.011 1.00 4.45 H new ATOM 0 HE3 LYS A 81 -13.409 17.833 1.487 1.00 4.45 H new ATOM 0 HZ1 LYS A 81 -14.443 17.009 3.494 1.00 43.03 H new ATOM 0 HZ2 LYS A 81 -15.567 17.009 2.221 1.00 43.03 H new ATOM 0 HZ3 LYS A 81 -14.858 15.551 2.729 1.00 43.03 H new ATOM 1313 N SER A 82 -15.014 11.181 0.298 1.00 4.51 N ATOM 1314 CA SER A 82 -16.194 10.380 0.723 1.00 11.51 C ATOM 1315 C SER A 82 -15.791 8.959 1.170 1.00 34.23 C ATOM 1316 O SER A 82 -16.443 8.368 2.032 1.00 40.34 O ATOM 1317 CB SER A 82 -17.224 10.287 -0.423 1.00 0.14 C ATOM 1318 OG SER A 82 -17.695 11.569 -0.794 1.00 54.11 O ATOM 0 H SER A 82 -14.998 11.393 -0.700 1.00 4.51 H new ATOM 0 HA SER A 82 -16.641 10.891 1.576 1.00 11.51 H new ATOM 0 HB2 SER A 82 -16.769 9.800 -1.286 1.00 0.14 H new ATOM 0 HB3 SER A 82 -18.063 9.665 -0.112 1.00 0.14 H new ATOM 0 HG SER A 82 -17.086 11.963 -1.453 1.00 54.11 H new ATOM 1324 N PHE A 83 -14.709 8.423 0.580 1.00 33.25 N ATOM 1325 CA PHE A 83 -14.209 7.067 0.909 1.00 1.45 C ATOM 1326 C PHE A 83 -13.430 7.047 2.233 1.00 15.35 C ATOM 1327 O PHE A 83 -13.130 5.971 2.743 1.00 34.30 O ATOM 1328 CB PHE A 83 -13.341 6.507 -0.238 1.00 30.12 C ATOM 1329 CG PHE A 83 -14.121 6.282 -1.534 1.00 12.32 C ATOM 1330 CD1 PHE A 83 -14.878 5.125 -1.719 1.00 51.32 C ATOM 1331 CD2 PHE A 83 -14.114 7.229 -2.552 1.00 40.41 C ATOM 1332 CE1 PHE A 83 -15.597 4.922 -2.883 1.00 35.51 C ATOM 1333 CE2 PHE A 83 -14.837 7.029 -3.711 1.00 72.11 C ATOM 1334 CZ PHE A 83 -15.574 5.876 -3.879 1.00 72.01 C ATOM 0 H PHE A 83 -14.159 8.906 -0.130 1.00 33.25 H new ATOM 0 HA PHE A 83 -15.081 6.425 1.032 1.00 1.45 H new ATOM 0 HB2 PHE A 83 -12.519 7.196 -0.432 1.00 30.12 H new ATOM 0 HB3 PHE A 83 -12.897 5.563 0.079 1.00 30.12 H new ATOM 0 HD1 PHE A 83 -14.903 4.376 -0.941 1.00 51.32 H new ATOM 0 HD2 PHE A 83 -13.535 8.133 -2.435 1.00 40.41 H new ATOM 0 HE1 PHE A 83 -16.175 4.019 -3.012 1.00 35.51 H new ATOM 0 HE2 PHE A 83 -14.825 7.778 -4.489 1.00 72.11 H new ATOM 0 HZ PHE A 83 -16.133 5.720 -4.790 1.00 72.01 H new ATOM 1344 N PHE A 84 -13.088 8.232 2.762 1.00 74.42 N ATOM 1345 CA PHE A 84 -12.529 8.371 4.126 1.00 22.53 C ATOM 1346 C PHE A 84 -13.662 8.323 5.178 1.00 71.34 C ATOM 1347 O PHE A 84 -13.415 8.042 6.357 1.00 24.22 O ATOM 1348 CB PHE A 84 -11.720 9.690 4.265 1.00 2.25 C ATOM 1349 CG PHE A 84 -10.446 9.757 3.414 1.00 44.32 C ATOM 1350 CD1 PHE A 84 -10.503 10.106 2.068 1.00 34.45 C ATOM 1351 CD2 PHE A 84 -9.193 9.487 3.964 1.00 75.25 C ATOM 1352 CE1 PHE A 84 -9.357 10.186 1.296 1.00 33.24 C ATOM 1353 CE2 PHE A 84 -8.045 9.562 3.188 1.00 72.13 C ATOM 1354 CZ PHE A 84 -8.128 9.913 1.856 1.00 64.10 C ATOM 0 H PHE A 84 -13.188 9.117 2.265 1.00 74.42 H new ATOM 0 HA PHE A 84 -11.850 7.537 4.301 1.00 22.53 H new ATOM 0 HB2 PHE A 84 -12.365 10.526 3.994 1.00 2.25 H new ATOM 0 HB3 PHE A 84 -11.448 9.824 5.312 1.00 2.25 H new ATOM 0 HD1 PHE A 84 -11.461 10.319 1.617 1.00 34.45 H new ATOM 0 HD2 PHE A 84 -9.115 9.216 5.007 1.00 75.25 H new ATOM 0 HE1 PHE A 84 -9.426 10.463 0.254 1.00 33.24 H new ATOM 0 HE2 PHE A 84 -7.083 9.345 3.628 1.00 72.13 H new ATOM 0 HZ PHE A 84 -7.233 9.974 1.255 1.00 64.10 H new ATOM 1364 N GLU A 85 -14.896 8.624 4.733 1.00 34.13 N ATOM 1365 CA GLU A 85 -16.107 8.573 5.571 1.00 65.24 C ATOM 1366 C GLU A 85 -16.702 7.152 5.549 1.00 24.04 C ATOM 1367 O GLU A 85 -17.508 6.807 4.676 1.00 63.20 O ATOM 1368 CB GLU A 85 -17.143 9.618 5.079 1.00 13.31 C ATOM 1369 CG GLU A 85 -16.641 11.075 5.101 1.00 61.13 C ATOM 1370 CD GLU A 85 -16.253 11.554 6.510 1.00 11.23 C ATOM 1371 OE1 GLU A 85 -17.158 11.856 7.319 1.00 52.42 O ATOM 1372 OE2 GLU A 85 -15.042 11.632 6.818 1.00 65.31 O ATOM 0 H GLU A 85 -15.081 8.912 3.772 1.00 34.13 H new ATOM 0 HA GLU A 85 -15.842 8.818 6.600 1.00 65.24 H new ATOM 0 HB2 GLU A 85 -17.440 9.365 4.061 1.00 13.31 H new ATOM 0 HB3 GLU A 85 -18.036 9.545 5.699 1.00 13.31 H new ATOM 0 HG2 GLU A 85 -15.778 11.166 4.441 1.00 61.13 H new ATOM 0 HG3 GLU A 85 -17.418 11.727 4.702 1.00 61.13 H new ATOM 1444 N ARG A 90 -16.190 -0.122 4.877 1.00 51.21 N ATOM 1445 CA ARG A 90 -14.909 0.325 5.464 1.00 13.30 C ATOM 1446 C ARG A 90 -14.363 1.514 4.646 1.00 74.32 C ATOM 1447 O ARG A 90 -14.897 1.800 3.558 1.00 70.23 O ATOM 1448 CB ARG A 90 -13.885 -0.854 5.474 1.00 23.52 C ATOM 1449 CG ARG A 90 -14.177 -1.947 6.518 1.00 51.20 C ATOM 1450 CD ARG A 90 -13.076 -3.004 6.584 1.00 75.51 C ATOM 1451 NE ARG A 90 -12.864 -3.655 5.288 1.00 2.43 N ATOM 1452 CZ ARG A 90 -12.647 -4.954 5.100 1.00 31.40 C ATOM 1453 NH1 ARG A 90 -12.631 -5.803 6.135 1.00 33.34 N ATOM 1454 NH2 ARG A 90 -12.436 -5.392 3.869 1.00 61.22 N ATOM 0 HA ARG A 90 -15.069 0.646 6.493 1.00 13.30 H new ATOM 0 HB2 ARG A 90 -13.867 -1.311 4.484 1.00 23.52 H new ATOM 0 HB3 ARG A 90 -12.889 -0.451 5.658 1.00 23.52 H new ATOM 0 HG2 ARG A 90 -14.293 -1.486 7.499 1.00 51.20 H new ATOM 0 HG3 ARG A 90 -15.125 -2.429 6.279 1.00 51.20 H new ATOM 0 HD2 ARG A 90 -12.146 -2.540 6.913 1.00 75.51 H new ATOM 0 HD3 ARG A 90 -13.338 -3.755 7.329 1.00 75.51 H new ATOM 0 HE ARG A 90 -12.885 -3.061 4.459 1.00 2.43 H new ATOM 0 HH11 ARG A 90 -12.786 -5.456 7.082 1.00 33.34 H new ATOM 0 HH12 ARG A 90 -12.463 -6.797 5.977 1.00 33.34 H new ATOM 0 HH21 ARG A 90 -12.442 -4.737 3.087 1.00 61.22 H new ATOM 0 HH22 ARG A 90 -12.268 -6.384 3.703 1.00 61.22 H new ATOM 1468 N PRO A 91 -13.311 2.253 5.152 1.00 40.33 N ATOM 1469 CA PRO A 91 -12.692 3.317 4.361 1.00 52.03 C ATOM 1470 C PRO A 91 -11.810 2.717 3.245 1.00 3.14 C ATOM 1471 O PRO A 91 -10.841 2.001 3.516 1.00 42.02 O ATOM 1472 CB PRO A 91 -11.899 4.150 5.400 1.00 50.33 C ATOM 1473 CG PRO A 91 -11.615 3.218 6.550 1.00 74.40 C ATOM 1474 CD PRO A 91 -12.660 2.111 6.496 1.00 55.42 C ATOM 0 HA PRO A 91 -13.408 3.945 3.831 1.00 52.03 H new ATOM 0 HB2 PRO A 91 -10.973 4.532 4.969 1.00 50.33 H new ATOM 0 HB3 PRO A 91 -12.477 5.013 5.731 1.00 50.33 H new ATOM 0 HG2 PRO A 91 -10.610 2.804 6.471 1.00 74.40 H new ATOM 0 HG3 PRO A 91 -11.666 3.751 7.500 1.00 74.40 H new ATOM 0 HD2 PRO A 91 -12.200 1.129 6.610 1.00 55.42 H new ATOM 0 HD3 PRO A 91 -13.388 2.217 7.300 1.00 55.42 H new ATOM 1482 N VAL A 92 -12.219 2.958 1.986 1.00 51.23 N ATOM 1483 CA VAL A 92 -11.475 2.495 0.796 1.00 13.35 C ATOM 1484 C VAL A 92 -10.146 3.263 0.677 1.00 54.11 C ATOM 1485 O VAL A 92 -9.128 2.724 0.241 1.00 20.42 O ATOM 1486 CB VAL A 92 -12.339 2.648 -0.514 1.00 64.11 C ATOM 1487 CG1 VAL A 92 -11.566 2.184 -1.775 1.00 44.04 C ATOM 1488 CG2 VAL A 92 -13.690 1.896 -0.369 1.00 55.21 C ATOM 0 H VAL A 92 -13.069 3.476 1.764 1.00 51.23 H new ATOM 0 HA VAL A 92 -11.255 1.434 0.916 1.00 13.35 H new ATOM 0 HB VAL A 92 -12.552 3.709 -0.647 1.00 64.11 H new ATOM 0 HG11 VAL A 92 -12.198 2.306 -2.655 1.00 44.04 H new ATOM 0 HG12 VAL A 92 -10.664 2.784 -1.890 1.00 44.04 H new ATOM 0 HG13 VAL A 92 -11.292 1.134 -1.668 1.00 44.04 H new ATOM 0 HG21 VAL A 92 -14.272 2.014 -1.283 1.00 55.21 H new ATOM 0 HG22 VAL A 92 -13.500 0.837 -0.193 1.00 55.21 H new ATOM 0 HG23 VAL A 92 -14.248 2.309 0.472 1.00 55.21 H new ATOM 1498 N PHE A 93 -10.174 4.539 1.080 1.00 54.12 N ATOM 1499 CA PHE A 93 -8.970 5.366 1.220 1.00 35.22 C ATOM 1500 C PHE A 93 -8.774 5.664 2.712 1.00 22.32 C ATOM 1501 O PHE A 93 -9.598 6.354 3.321 1.00 31.23 O ATOM 1502 CB PHE A 93 -9.103 6.683 0.412 1.00 25.41 C ATOM 1503 CG PHE A 93 -9.384 6.520 -1.088 1.00 41.23 C ATOM 1504 CD1 PHE A 93 -8.842 5.466 -1.825 1.00 71.32 C ATOM 1505 CD2 PHE A 93 -10.184 7.440 -1.760 1.00 21.53 C ATOM 1506 CE1 PHE A 93 -9.093 5.340 -3.175 1.00 42.20 C ATOM 1507 CE2 PHE A 93 -10.434 7.310 -3.112 1.00 34.12 C ATOM 1508 CZ PHE A 93 -9.890 6.260 -3.818 1.00 14.12 C ATOM 0 H PHE A 93 -11.036 5.029 1.319 1.00 54.12 H new ATOM 0 HA PHE A 93 -8.105 4.833 0.824 1.00 35.22 H new ATOM 0 HB2 PHE A 93 -9.905 7.277 0.850 1.00 25.41 H new ATOM 0 HB3 PHE A 93 -8.182 7.254 0.530 1.00 25.41 H new ATOM 0 HD1 PHE A 93 -8.216 4.738 -1.330 1.00 71.32 H new ATOM 0 HD2 PHE A 93 -10.615 8.267 -1.216 1.00 21.53 H new ATOM 0 HE1 PHE A 93 -8.664 4.518 -3.729 1.00 42.20 H new ATOM 0 HE2 PHE A 93 -11.057 8.033 -3.617 1.00 34.12 H new ATOM 0 HZ PHE A 93 -10.088 6.159 -4.875 1.00 14.12 H new ATOM 1518 N VAL A 94 -7.711 5.100 3.302 1.00 25.33 N ATOM 1519 CA VAL A 94 -7.378 5.277 4.730 1.00 24.43 C ATOM 1520 C VAL A 94 -6.088 6.114 4.837 1.00 24.43 C ATOM 1521 O VAL A 94 -5.292 6.135 3.896 1.00 22.33 O ATOM 1522 CB VAL A 94 -7.169 3.890 5.463 1.00 62.50 C ATOM 1523 CG1 VAL A 94 -7.155 4.066 6.989 1.00 12.11 C ATOM 1524 CG2 VAL A 94 -8.234 2.852 5.057 1.00 12.14 C ATOM 0 H VAL A 94 -7.051 4.504 2.802 1.00 25.33 H new ATOM 0 HA VAL A 94 -8.211 5.785 5.217 1.00 24.43 H new ATOM 0 HB VAL A 94 -6.198 3.511 5.145 1.00 62.50 H new ATOM 0 HG11 VAL A 94 -7.010 3.097 7.466 1.00 12.11 H new ATOM 0 HG12 VAL A 94 -6.341 4.734 7.271 1.00 12.11 H new ATOM 0 HG13 VAL A 94 -8.104 4.492 7.315 1.00 12.11 H new ATOM 0 HG21 VAL A 94 -8.050 1.916 5.585 1.00 12.14 H new ATOM 0 HG22 VAL A 94 -9.224 3.226 5.316 1.00 12.14 H new ATOM 0 HG23 VAL A 94 -8.182 2.678 3.982 1.00 12.14 H new ATOM 1534 N LYS A 95 -5.896 6.799 5.984 1.00 30.04 N ATOM 1535 CA LYS A 95 -4.701 7.619 6.252 1.00 24.43 C ATOM 1536 C LYS A 95 -4.416 7.722 7.757 1.00 0.02 C ATOM 1537 O LYS A 95 -5.158 7.181 8.587 1.00 32.23 O ATOM 1538 CB LYS A 95 -4.856 9.028 5.647 1.00 11.11 C ATOM 1539 CG LYS A 95 -5.985 9.893 6.250 1.00 64.12 C ATOM 1540 CD LYS A 95 -6.014 11.316 5.642 1.00 30.21 C ATOM 1541 CE LYS A 95 -4.774 12.148 6.003 1.00 24.21 C ATOM 1542 NZ LYS A 95 -4.739 13.439 5.264 1.00 73.25 N ATOM 0 H LYS A 95 -6.569 6.797 6.751 1.00 30.04 H new ATOM 0 HA LYS A 95 -3.854 7.123 5.778 1.00 24.43 H new ATOM 0 HB2 LYS A 95 -3.912 9.560 5.765 1.00 11.11 H new ATOM 0 HB3 LYS A 95 -5.033 8.927 4.576 1.00 11.11 H new ATOM 0 HG2 LYS A 95 -6.945 9.406 6.079 1.00 64.12 H new ATOM 0 HG3 LYS A 95 -5.851 9.963 7.329 1.00 64.12 H new ATOM 0 HD2 LYS A 95 -6.091 11.240 4.557 1.00 30.21 H new ATOM 0 HD3 LYS A 95 -6.907 11.835 5.989 1.00 30.21 H new ATOM 0 HE2 LYS A 95 -4.767 12.343 7.075 1.00 24.21 H new ATOM 0 HE3 LYS A 95 -3.874 11.576 5.777 1.00 24.21 H new ATOM 0 HZ1 LYS A 95 -4.235 14.150 5.831 1.00 73.25 H new ATOM 0 HZ2 LYS A 95 -4.246 13.307 4.358 1.00 73.25 H new ATOM 0 HZ3 LYS A 95 -5.711 13.763 5.086 1.00 73.25 H new ATOM 1556 N GLY A 96 -3.311 8.408 8.078 1.00 54.20 N ATOM 1557 CA GLY A 96 -2.855 8.614 9.451 1.00 52.41 C ATOM 1558 C GLY A 96 -1.507 7.961 9.652 1.00 51.32 C ATOM 1559 O GLY A 96 -0.758 7.805 8.694 1.00 73.04 O ATOM 0 H GLY A 96 -2.704 8.839 7.380 1.00 54.20 H new ATOM 0 HA2 GLY A 96 -2.787 9.681 9.664 1.00 52.41 H new ATOM 0 HA3 GLY A 96 -3.579 8.195 10.150 1.00 52.41 H new ATOM 1563 N SER A 97 -1.184 7.576 10.893 1.00 4.44 N ATOM 1564 CA SER A 97 0.038 6.802 11.192 1.00 20.44 C ATOM 1565 C SER A 97 -0.129 5.352 10.679 1.00 15.32 C ATOM 1566 O SER A 97 -1.247 4.955 10.332 1.00 60.04 O ATOM 1567 CB SER A 97 0.312 6.850 12.711 1.00 63.13 C ATOM 1568 OG SER A 97 1.565 6.279 13.039 1.00 1.10 O ATOM 0 H SER A 97 -1.752 7.787 11.713 1.00 4.44 H new ATOM 0 HA SER A 97 0.898 7.236 10.682 1.00 20.44 H new ATOM 0 HB2 SER A 97 0.284 7.885 13.053 1.00 63.13 H new ATOM 0 HB3 SER A 97 -0.479 6.318 13.240 1.00 63.13 H new ATOM 0 HG SER A 97 1.704 6.329 14.008 1.00 1.10 H new ATOM 1574 N LEU A 98 0.977 4.575 10.634 1.00 64.24 N ATOM 1575 CA LEU A 98 0.979 3.176 10.136 1.00 33.21 C ATOM 1576 C LEU A 98 -0.069 2.316 10.878 1.00 35.11 C ATOM 1577 O LEU A 98 -0.964 1.724 10.255 1.00 72.53 O ATOM 1578 CB LEU A 98 2.400 2.555 10.303 1.00 35.43 C ATOM 1579 CG LEU A 98 2.551 1.035 9.949 1.00 11.44 C ATOM 1580 CD1 LEU A 98 2.188 0.748 8.477 1.00 34.22 C ATOM 1581 CD2 LEU A 98 3.971 0.530 10.292 1.00 5.32 C ATOM 0 H LEU A 98 1.894 4.898 10.941 1.00 64.24 H new ATOM 0 HA LEU A 98 0.714 3.190 9.079 1.00 33.21 H new ATOM 0 HB2 LEU A 98 3.093 3.120 9.680 1.00 35.43 H new ATOM 0 HB3 LEU A 98 2.713 2.696 11.337 1.00 35.43 H new ATOM 0 HG LEU A 98 1.840 0.482 10.562 1.00 11.44 H new ATOM 0 HD11 LEU A 98 2.306 -0.316 8.274 1.00 34.22 H new ATOM 0 HD12 LEU A 98 1.154 1.040 8.294 1.00 34.22 H new ATOM 0 HD13 LEU A 98 2.847 1.318 7.822 1.00 34.22 H new ATOM 0 HD21 LEU A 98 4.053 -0.527 10.038 1.00 5.32 H new ATOM 0 HD22 LEU A 98 4.707 1.098 9.722 1.00 5.32 H new ATOM 0 HD23 LEU A 98 4.157 0.662 11.358 1.00 5.32 H new ATOM 1593 N GLU A 99 0.045 2.307 12.220 1.00 72.34 N ATOM 1594 CA GLU A 99 -0.831 1.523 13.115 1.00 60.34 C ATOM 1595 C GLU A 99 -2.268 2.074 13.122 1.00 44.43 C ATOM 1596 O GLU A 99 -3.222 1.309 13.137 1.00 63.03 O ATOM 1597 CB GLU A 99 -0.230 1.508 14.546 1.00 31.05 C ATOM 1598 CG GLU A 99 1.202 0.945 14.585 1.00 22.33 C ATOM 1599 CD GLU A 99 1.859 0.994 15.970 1.00 23.32 C ATOM 1600 OE1 GLU A 99 2.498 2.011 16.300 1.00 63.14 O ATOM 1601 OE2 GLU A 99 1.752 0.014 16.732 1.00 64.13 O ATOM 0 H GLU A 99 0.752 2.847 12.718 1.00 72.34 H new ATOM 0 HA GLU A 99 -0.885 0.500 12.742 1.00 60.34 H new ATOM 0 HB2 GLU A 99 -0.228 2.522 14.945 1.00 31.05 H new ATOM 0 HB3 GLU A 99 -0.868 0.911 15.197 1.00 31.05 H new ATOM 0 HG2 GLU A 99 1.183 -0.089 14.240 1.00 22.33 H new ATOM 0 HG3 GLU A 99 1.820 1.504 13.882 1.00 22.33 H new ATOM 1608 N SER A 100 -2.384 3.417 13.036 1.00 44.15 N ATOM 1609 CA SER A 100 -3.675 4.137 13.021 1.00 51.53 C ATOM 1610 C SER A 100 -4.527 3.721 11.807 1.00 44.05 C ATOM 1611 O SER A 100 -5.701 3.343 11.943 1.00 31.41 O ATOM 1612 CB SER A 100 -3.405 5.662 12.987 1.00 11.11 C ATOM 1613 OG SER A 100 -2.592 6.062 14.077 1.00 41.21 O ATOM 0 H SER A 100 -1.576 4.037 12.974 1.00 44.15 H new ATOM 0 HA SER A 100 -4.232 3.881 13.922 1.00 51.53 H new ATOM 0 HB2 SER A 100 -2.917 5.927 12.049 1.00 11.11 H new ATOM 0 HB3 SER A 100 -4.351 6.202 13.018 1.00 11.11 H new ATOM 0 HG SER A 100 -2.435 7.028 14.031 1.00 41.21 H new ATOM 1619 N ALA A 101 -3.887 3.758 10.628 1.00 13.14 N ATOM 1620 CA ALA A 101 -4.506 3.407 9.343 1.00 22.32 C ATOM 1621 C ALA A 101 -4.861 1.913 9.291 1.00 33.10 C ATOM 1622 O ALA A 101 -5.812 1.509 8.609 1.00 24.51 O ATOM 1623 CB ALA A 101 -3.565 3.792 8.189 1.00 71.41 C ATOM 0 H ALA A 101 -2.910 4.037 10.541 1.00 13.14 H new ATOM 0 HA ALA A 101 -5.435 3.967 9.238 1.00 22.32 H new ATOM 0 HB1 ALA A 101 -4.029 3.529 7.238 1.00 71.41 H new ATOM 0 HB2 ALA A 101 -3.376 4.865 8.216 1.00 71.41 H new ATOM 0 HB3 ALA A 101 -2.622 3.255 8.293 1.00 71.41 H new ATOM 1629 N ALA A 102 -4.095 1.109 10.044 1.00 24.32 N ATOM 1630 CA ALA A 102 -4.300 -0.337 10.151 1.00 12.44 C ATOM 1631 C ALA A 102 -5.579 -0.662 10.945 1.00 63.42 C ATOM 1632 O ALA A 102 -6.306 -1.597 10.606 1.00 60.01 O ATOM 1633 CB ALA A 102 -3.080 -0.974 10.813 1.00 24.12 C ATOM 0 H ALA A 102 -3.310 1.451 10.599 1.00 24.32 H new ATOM 0 HA ALA A 102 -4.424 -0.748 9.149 1.00 12.44 H new ATOM 0 HB1 ALA A 102 -3.230 -2.051 10.894 1.00 24.12 H new ATOM 0 HB2 ALA A 102 -2.194 -0.776 10.210 1.00 24.12 H new ATOM 0 HB3 ALA A 102 -2.944 -0.551 11.808 1.00 24.12 H new ATOM 1639 N GLU A 103 -5.830 0.132 12.006 1.00 24.45 N ATOM 1640 CA GLU A 103 -7.032 -0.005 12.864 1.00 22.33 C ATOM 1641 C GLU A 103 -8.304 0.386 12.099 1.00 22.25 C ATOM 1642 O GLU A 103 -9.318 -0.310 12.167 1.00 71.33 O ATOM 1643 CB GLU A 103 -6.885 0.884 14.126 1.00 25.45 C ATOM 1644 CG GLU A 103 -5.622 0.593 14.952 1.00 61.54 C ATOM 1645 CD GLU A 103 -5.415 1.581 16.103 1.00 53.20 C ATOM 1646 OE1 GLU A 103 -5.274 2.789 15.827 1.00 22.24 O ATOM 1647 OE2 GLU A 103 -5.411 1.170 17.282 1.00 1.31 O ATOM 0 H GLU A 103 -5.207 0.887 12.295 1.00 24.45 H new ATOM 0 HA GLU A 103 -7.119 -1.050 13.163 1.00 22.33 H new ATOM 0 HB2 GLU A 103 -6.874 1.931 13.821 1.00 25.45 H new ATOM 0 HB3 GLU A 103 -7.761 0.745 14.760 1.00 25.45 H new ATOM 0 HG2 GLU A 103 -5.684 -0.418 15.356 1.00 61.54 H new ATOM 0 HG3 GLU A 103 -4.752 0.621 14.296 1.00 61.54 H new ATOM 1654 N GLN A 104 -8.211 1.507 11.365 1.00 42.04 N ATOM 1655 CA GLN A 104 -9.326 2.061 10.566 1.00 75.45 C ATOM 1656 C GLN A 104 -9.727 1.116 9.417 1.00 33.20 C ATOM 1657 O GLN A 104 -10.915 0.945 9.140 1.00 43.04 O ATOM 1658 CB GLN A 104 -8.929 3.459 10.033 1.00 62.24 C ATOM 1659 CG GLN A 104 -8.702 4.511 11.135 1.00 73.54 C ATOM 1660 CD GLN A 104 -8.163 5.832 10.586 1.00 23.33 C ATOM 1661 OE1 GLN A 104 -8.924 6.718 10.193 1.00 75.02 O ATOM 1662 NE2 GLN A 104 -6.843 5.968 10.547 1.00 11.34 N ATOM 0 H GLN A 104 -7.356 2.061 11.306 1.00 42.04 H new ATOM 0 HA GLN A 104 -10.201 2.160 11.208 1.00 75.45 H new ATOM 0 HB2 GLN A 104 -8.018 3.365 9.442 1.00 62.24 H new ATOM 0 HB3 GLN A 104 -9.710 3.815 9.361 1.00 62.24 H new ATOM 0 HG2 GLN A 104 -9.642 4.695 11.656 1.00 73.54 H new ATOM 0 HG3 GLN A 104 -8.002 4.115 11.871 1.00 73.54 H new ATOM 0 HE21 GLN A 104 -6.243 5.214 10.881 1.00 11.34 H new ATOM 0 HE22 GLN A 104 -6.429 6.826 10.183 1.00 11.34 H new ATOM 1671 N ALA A 105 -8.728 0.491 8.770 1.00 54.55 N ATOM 1672 CA ALA A 105 -8.964 -0.521 7.717 1.00 12.14 C ATOM 1673 C ALA A 105 -9.304 -1.896 8.336 1.00 2.55 C ATOM 1674 O ALA A 105 -9.879 -2.760 7.664 1.00 32.14 O ATOM 1675 CB ALA A 105 -7.738 -0.614 6.798 1.00 71.10 C ATOM 0 H ALA A 105 -7.741 0.669 8.957 1.00 54.55 H new ATOM 0 HA ALA A 105 -9.822 -0.212 7.120 1.00 12.14 H new ATOM 0 HB1 ALA A 105 -7.919 -1.361 6.025 1.00 71.10 H new ATOM 0 HB2 ALA A 105 -7.559 0.355 6.332 1.00 71.10 H new ATOM 0 HB3 ALA A 105 -6.865 -0.902 7.384 1.00 71.10 H new ATOM 1681 N GLY A 106 -8.930 -2.080 9.625 1.00 53.52 N ATOM 1682 CA GLY A 106 -9.227 -3.306 10.374 1.00 61.52 C ATOM 1683 C GLY A 106 -8.333 -4.479 9.998 1.00 50.04 C ATOM 1684 O GLY A 106 -8.733 -5.641 10.133 1.00 32.33 O ATOM 0 H GLY A 106 -8.417 -1.382 10.164 1.00 53.52 H new ATOM 0 HA2 GLY A 106 -9.121 -3.106 11.440 1.00 61.52 H new ATOM 0 HA3 GLY A 106 -10.267 -3.583 10.204 1.00 61.52 H new ATOM 1688 N ILE A 107 -7.124 -4.160 9.518 1.00 41.11 N ATOM 1689 CA ILE A 107 -6.088 -5.151 9.155 1.00 30.41 C ATOM 1690 C ILE A 107 -5.345 -5.595 10.438 1.00 32.33 C ATOM 1691 O ILE A 107 -5.387 -4.877 11.451 1.00 30.22 O ATOM 1692 CB ILE A 107 -5.052 -4.523 8.131 1.00 64.34 C ATOM 1693 CG1 ILE A 107 -5.772 -3.727 7.006 1.00 22.32 C ATOM 1694 CG2 ILE A 107 -4.143 -5.604 7.503 1.00 24.03 C ATOM 1695 CD1 ILE A 107 -4.834 -2.939 6.104 1.00 41.02 C ATOM 0 H ILE A 107 -6.829 -3.195 9.367 1.00 41.11 H new ATOM 0 HA ILE A 107 -6.565 -6.010 8.682 1.00 30.41 H new ATOM 0 HB ILE A 107 -4.429 -3.835 8.702 1.00 64.34 H new ATOM 0 HG12 ILE A 107 -6.347 -4.422 6.395 1.00 22.32 H new ATOM 0 HG13 ILE A 107 -6.484 -3.039 7.461 1.00 22.32 H new ATOM 0 HG21 ILE A 107 -3.447 -5.135 6.807 1.00 24.03 H new ATOM 0 HG22 ILE A 107 -3.584 -6.111 8.289 1.00 24.03 H new ATOM 0 HG23 ILE A 107 -4.756 -6.330 6.969 1.00 24.03 H new ATOM 0 HD11 ILE A 107 -5.415 -2.413 5.346 1.00 41.02 H new ATOM 0 HD12 ILE A 107 -4.277 -2.217 6.701 1.00 41.02 H new ATOM 0 HD13 ILE A 107 -4.138 -3.622 5.618 1.00 41.02 H new ATOM 1707 N VAL A 108 -4.674 -6.767 10.402 1.00 55.00 N ATOM 1708 CA VAL A 108 -3.864 -7.243 11.535 1.00 32.41 C ATOM 1709 C VAL A 108 -2.641 -6.313 11.715 1.00 2.32 C ATOM 1710 O VAL A 108 -1.639 -6.416 10.977 1.00 13.42 O ATOM 1711 CB VAL A 108 -3.407 -8.736 11.352 1.00 33.31 C ATOM 1712 CG1 VAL A 108 -2.642 -9.254 12.589 1.00 35.12 C ATOM 1713 CG2 VAL A 108 -4.603 -9.649 11.001 1.00 71.02 C ATOM 0 H VAL A 108 -4.680 -7.397 9.600 1.00 55.00 H new ATOM 0 HA VAL A 108 -4.483 -7.214 12.432 1.00 32.41 H new ATOM 0 HB VAL A 108 -2.714 -8.764 10.511 1.00 33.31 H new ATOM 0 HG11 VAL A 108 -2.343 -10.289 12.425 1.00 35.12 H new ATOM 0 HG12 VAL A 108 -1.755 -8.641 12.751 1.00 35.12 H new ATOM 0 HG13 VAL A 108 -3.287 -9.198 13.466 1.00 35.12 H new ATOM 0 HG21 VAL A 108 -4.255 -10.675 10.881 1.00 71.02 H new ATOM 0 HG22 VAL A 108 -5.340 -9.608 11.803 1.00 71.02 H new ATOM 0 HG23 VAL A 108 -5.059 -9.310 10.071 1.00 71.02 H new ATOM 1723 N VAL A 109 -2.781 -5.380 12.682 1.00 23.05 N ATOM 1724 CA VAL A 109 -1.776 -4.343 12.987 1.00 60.51 C ATOM 1725 C VAL A 109 -0.408 -4.981 13.282 1.00 60.12 C ATOM 1726 O VAL A 109 0.613 -4.534 12.766 1.00 13.21 O ATOM 1727 CB VAL A 109 -2.225 -3.431 14.206 1.00 64.55 C ATOM 1728 CG1 VAL A 109 -1.173 -2.335 14.532 1.00 21.31 C ATOM 1729 CG2 VAL A 109 -3.612 -2.792 13.951 1.00 54.03 C ATOM 0 H VAL A 109 -3.606 -5.327 13.279 1.00 23.05 H new ATOM 0 HA VAL A 109 -1.689 -3.708 12.106 1.00 60.51 H new ATOM 0 HB VAL A 109 -2.302 -4.084 15.075 1.00 64.55 H new ATOM 0 HG11 VAL A 109 -1.522 -1.735 15.372 1.00 21.31 H new ATOM 0 HG12 VAL A 109 -0.225 -2.806 14.791 1.00 21.31 H new ATOM 0 HG13 VAL A 109 -1.033 -1.694 13.661 1.00 21.31 H new ATOM 0 HG21 VAL A 109 -3.890 -2.174 14.804 1.00 54.03 H new ATOM 0 HG22 VAL A 109 -3.569 -2.174 13.054 1.00 54.03 H new ATOM 0 HG23 VAL A 109 -4.355 -3.578 13.815 1.00 54.03 H new ATOM 1739 N ASP A 110 -0.435 -6.074 14.062 1.00 71.22 N ATOM 1740 CA ASP A 110 0.776 -6.773 14.516 1.00 71.42 C ATOM 1741 C ASP A 110 1.603 -7.307 13.332 1.00 12.50 C ATOM 1742 O ASP A 110 2.825 -7.160 13.324 1.00 54.11 O ATOM 1743 CB ASP A 110 0.412 -7.922 15.495 1.00 65.13 C ATOM 1744 CG ASP A 110 1.651 -8.519 16.192 1.00 60.23 C ATOM 1745 OD1 ASP A 110 2.053 -8.000 17.258 1.00 73.24 O ATOM 1746 OD2 ASP A 110 2.231 -9.498 15.676 1.00 3.13 O ATOM 0 H ASP A 110 -1.300 -6.498 14.396 1.00 71.22 H new ATOM 0 HA ASP A 110 1.394 -6.048 15.046 1.00 71.42 H new ATOM 0 HB2 ASP A 110 -0.280 -7.547 16.249 1.00 65.13 H new ATOM 0 HB3 ASP A 110 -0.108 -8.709 14.949 1.00 65.13 H new ATOM 1751 N GLU A 111 0.920 -7.895 12.326 1.00 2.03 N ATOM 1752 CA GLU A 111 1.594 -8.442 11.131 1.00 34.45 C ATOM 1753 C GLU A 111 2.245 -7.324 10.305 1.00 31.51 C ATOM 1754 O GLU A 111 3.429 -7.426 9.957 1.00 14.03 O ATOM 1755 CB GLU A 111 0.625 -9.260 10.232 1.00 72.31 C ATOM 1756 CG GLU A 111 0.132 -10.590 10.836 1.00 73.15 C ATOM 1757 CD GLU A 111 1.255 -11.575 11.198 1.00 61.12 C ATOM 1758 OE1 GLU A 111 2.020 -11.980 10.297 1.00 11.05 O ATOM 1759 OE2 GLU A 111 1.380 -11.951 12.388 1.00 11.43 O ATOM 0 H GLU A 111 -0.094 -8.002 12.319 1.00 2.03 H new ATOM 0 HA GLU A 111 2.368 -9.118 11.494 1.00 34.45 H new ATOM 0 HB2 GLU A 111 -0.242 -8.640 10.003 1.00 72.31 H new ATOM 0 HB3 GLU A 111 1.124 -9.472 9.287 1.00 72.31 H new ATOM 0 HG2 GLU A 111 -0.450 -10.375 11.732 1.00 73.15 H new ATOM 0 HG3 GLU A 111 -0.542 -11.070 10.126 1.00 73.15 H new ATOM 1766 N LEU A 112 1.475 -6.252 10.000 1.00 61.43 N ATOM 1767 CA LEU A 112 1.955 -5.203 9.074 1.00 52.03 C ATOM 1768 C LEU A 112 3.046 -4.304 9.677 1.00 64.04 C ATOM 1769 O LEU A 112 3.917 -3.840 8.942 1.00 21.21 O ATOM 1770 CB LEU A 112 0.778 -4.385 8.476 1.00 10.35 C ATOM 1771 CG LEU A 112 -0.206 -3.674 9.470 1.00 73.14 C ATOM 1772 CD1 LEU A 112 0.349 -2.340 10.036 1.00 64.02 C ATOM 1773 CD2 LEU A 112 -1.581 -3.467 8.814 1.00 64.54 C ATOM 0 H LEU A 112 0.539 -6.094 10.373 1.00 61.43 H new ATOM 0 HA LEU A 112 2.440 -5.727 8.250 1.00 52.03 H new ATOM 0 HB2 LEU A 112 1.200 -3.622 7.822 1.00 10.35 H new ATOM 0 HB3 LEU A 112 0.191 -5.055 7.848 1.00 10.35 H new ATOM 0 HG LEU A 112 -0.317 -4.340 10.326 1.00 73.14 H new ATOM 0 HD11 LEU A 112 -0.381 -1.901 10.716 1.00 64.02 H new ATOM 0 HD12 LEU A 112 1.277 -2.531 10.575 1.00 64.02 H new ATOM 0 HD13 LEU A 112 0.542 -1.649 9.215 1.00 64.02 H new ATOM 0 HD21 LEU A 112 -2.250 -2.973 9.519 1.00 64.54 H new ATOM 0 HD22 LEU A 112 -1.470 -2.848 7.924 1.00 64.54 H new ATOM 0 HD23 LEU A 112 -2.000 -4.434 8.534 1.00 64.54 H new ATOM 1785 N VAL A 113 3.004 -4.065 11.012 1.00 73.12 N ATOM 1786 CA VAL A 113 4.057 -3.291 11.711 1.00 44.23 C ATOM 1787 C VAL A 113 5.409 -3.977 11.504 1.00 45.21 C ATOM 1788 O VAL A 113 6.393 -3.325 11.136 1.00 61.54 O ATOM 1789 CB VAL A 113 3.761 -3.108 13.256 1.00 13.22 C ATOM 1790 CG1 VAL A 113 4.981 -2.520 14.016 1.00 12.32 C ATOM 1791 CG2 VAL A 113 2.519 -2.215 13.466 1.00 13.33 C ATOM 0 H VAL A 113 2.256 -4.396 11.622 1.00 73.12 H new ATOM 0 HA VAL A 113 4.073 -2.290 11.280 1.00 44.23 H new ATOM 0 HB VAL A 113 3.563 -4.098 13.668 1.00 13.22 H new ATOM 0 HG11 VAL A 113 4.734 -2.411 15.072 1.00 12.32 H new ATOM 0 HG12 VAL A 113 5.834 -3.191 13.910 1.00 12.32 H new ATOM 0 HG13 VAL A 113 5.233 -1.545 13.600 1.00 12.32 H new ATOM 0 HG21 VAL A 113 2.330 -2.100 14.533 1.00 13.33 H new ATOM 0 HG22 VAL A 113 2.695 -1.236 13.021 1.00 13.33 H new ATOM 0 HG23 VAL A 113 1.654 -2.678 12.992 1.00 13.33 H new ATOM 1801 N GLN A 114 5.405 -5.317 11.680 1.00 13.22 N ATOM 1802 CA GLN A 114 6.589 -6.154 11.461 1.00 73.53 C ATOM 1803 C GLN A 114 7.024 -6.057 9.990 1.00 31.42 C ATOM 1804 O GLN A 114 8.133 -5.649 9.715 1.00 32.42 O ATOM 1805 CB GLN A 114 6.313 -7.633 11.846 1.00 73.15 C ATOM 1806 CG GLN A 114 5.878 -7.853 13.307 1.00 64.15 C ATOM 1807 CD GLN A 114 6.978 -7.582 14.330 1.00 34.01 C ATOM 1808 OE1 GLN A 114 7.728 -8.487 14.703 1.00 2.31 O ATOM 1809 NE2 GLN A 114 7.078 -6.350 14.808 1.00 15.03 N ATOM 0 H GLN A 114 4.581 -5.840 11.977 1.00 13.22 H new ATOM 0 HA GLN A 114 7.392 -5.790 12.101 1.00 73.53 H new ATOM 0 HB2 GLN A 114 5.537 -8.026 11.188 1.00 73.15 H new ATOM 0 HB3 GLN A 114 7.215 -8.216 11.659 1.00 73.15 H new ATOM 0 HG2 GLN A 114 5.028 -7.206 13.523 1.00 64.15 H new ATOM 0 HG3 GLN A 114 5.534 -8.881 13.422 1.00 64.15 H new ATOM 0 HE21 GLN A 114 6.443 -5.623 14.480 1.00 15.03 H new ATOM 0 HE22 GLN A 114 7.790 -6.129 15.504 1.00 15.03 H new ATOM 1818 N THR A 115 6.091 -6.338 9.055 1.00 21.21 N ATOM 1819 CA THR A 115 6.416 -6.485 7.618 1.00 0.32 C ATOM 1820 C THR A 115 6.962 -5.163 6.999 1.00 54.33 C ATOM 1821 O THR A 115 7.750 -5.205 6.057 1.00 63.14 O ATOM 1822 CB THR A 115 5.183 -7.042 6.789 1.00 62.25 C ATOM 1823 OG1 THR A 115 5.649 -7.820 5.671 1.00 10.22 O ATOM 1824 CG2 THR A 115 4.246 -5.929 6.265 1.00 25.25 C ATOM 0 H THR A 115 5.102 -6.468 9.270 1.00 21.21 H new ATOM 0 HA THR A 115 7.216 -7.223 7.555 1.00 0.32 H new ATOM 0 HB THR A 115 4.607 -7.659 7.479 1.00 62.25 H new ATOM 0 HG1 THR A 115 5.119 -8.642 5.601 1.00 10.22 H new ATOM 0 HG21 THR A 115 3.424 -6.378 5.707 1.00 25.25 H new ATOM 0 HG22 THR A 115 3.847 -5.363 7.107 1.00 25.25 H new ATOM 0 HG23 THR A 115 4.806 -5.260 5.611 1.00 25.25 H new ATOM 1832 N VAL A 116 6.546 -4.001 7.565 1.00 13.43 N ATOM 1833 CA VAL A 116 6.988 -2.661 7.106 1.00 11.12 C ATOM 1834 C VAL A 116 8.357 -2.285 7.710 1.00 4.52 C ATOM 1835 O VAL A 116 9.231 -1.783 7.001 1.00 13.32 O ATOM 1836 CB VAL A 116 5.908 -1.545 7.430 1.00 11.02 C ATOM 1837 CG1 VAL A 116 6.433 -0.111 7.138 1.00 74.14 C ATOM 1838 CG2 VAL A 116 4.591 -1.810 6.656 1.00 71.12 C ATOM 0 H VAL A 116 5.896 -3.968 8.351 1.00 13.43 H new ATOM 0 HA VAL A 116 7.097 -2.714 6.023 1.00 11.12 H new ATOM 0 HB VAL A 116 5.705 -1.603 8.499 1.00 11.02 H new ATOM 0 HG11 VAL A 116 5.657 0.616 7.376 1.00 74.14 H new ATOM 0 HG12 VAL A 116 7.314 0.085 7.749 1.00 74.14 H new ATOM 0 HG13 VAL A 116 6.697 -0.028 6.084 1.00 74.14 H new ATOM 0 HG21 VAL A 116 3.866 -1.032 6.894 1.00 71.12 H new ATOM 0 HG22 VAL A 116 4.791 -1.804 5.585 1.00 71.12 H new ATOM 0 HG23 VAL A 116 4.189 -2.781 6.944 1.00 71.12 H new ATOM 1848 N LYS A 117 8.557 -2.546 9.019 1.00 35.02 N ATOM 1849 CA LYS A 117 9.832 -2.208 9.697 1.00 33.54 C ATOM 1850 C LYS A 117 10.950 -3.194 9.283 1.00 23.14 C ATOM 1851 O LYS A 117 12.134 -2.834 9.279 1.00 55.22 O ATOM 1852 CB LYS A 117 9.666 -2.177 11.241 1.00 53.10 C ATOM 1853 CG LYS A 117 9.467 -3.557 11.916 1.00 2.23 C ATOM 1854 CD LYS A 117 9.234 -3.465 13.444 1.00 75.12 C ATOM 1855 CE LYS A 117 10.391 -2.768 14.182 1.00 11.23 C ATOM 1856 NZ LYS A 117 10.201 -2.799 15.659 1.00 31.30 N ATOM 0 H LYS A 117 7.863 -2.984 9.624 1.00 35.02 H new ATOM 0 HA LYS A 117 10.121 -1.207 9.378 1.00 33.54 H new ATOM 0 HB2 LYS A 117 10.547 -1.703 11.675 1.00 53.10 H new ATOM 0 HB3 LYS A 117 8.812 -1.546 11.485 1.00 53.10 H new ATOM 0 HG2 LYS A 117 8.616 -4.059 11.456 1.00 2.23 H new ATOM 0 HG3 LYS A 117 10.344 -4.176 11.726 1.00 2.23 H new ATOM 0 HD2 LYS A 117 8.308 -2.922 13.634 1.00 75.12 H new ATOM 0 HD3 LYS A 117 9.103 -4.469 13.848 1.00 75.12 H new ATOM 0 HE2 LYS A 117 11.332 -3.255 13.926 1.00 11.23 H new ATOM 0 HE3 LYS A 117 10.466 -1.734 13.846 1.00 11.23 H new ATOM 0 HZ1 LYS A 117 11.000 -2.320 16.122 1.00 31.30 H new ATOM 0 HZ2 LYS A 117 9.316 -2.312 15.905 1.00 31.30 H new ATOM 0 HZ3 LYS A 117 10.155 -3.786 15.982 1.00 31.30 H new ATOM 1870 N ASN A 118 10.548 -4.437 8.921 1.00 22.42 N ATOM 1871 CA ASN A 118 11.463 -5.466 8.380 1.00 31.21 C ATOM 1872 C ASN A 118 11.846 -5.080 6.955 1.00 11.43 C ATOM 1873 O ASN A 118 13.022 -5.173 6.582 1.00 72.25 O ATOM 1874 CB ASN A 118 10.834 -6.898 8.382 1.00 11.24 C ATOM 1875 CG ASN A 118 10.687 -7.541 9.774 1.00 31.33 C ATOM 1876 OD1 ASN A 118 10.352 -6.761 10.790 1.00 53.02 O flip ATOM 1877 ND2 ASN A 118 10.835 -8.756 9.926 1.00 43.15 N flip ATOM 0 H ASN A 118 9.581 -4.752 8.997 1.00 22.42 H new ATOM 0 HA ASN A 118 12.340 -5.504 9.026 1.00 31.21 H new ATOM 0 HB2 ASN A 118 9.850 -6.847 7.916 1.00 11.24 H new ATOM 0 HB3 ASN A 118 11.448 -7.549 7.760 1.00 11.24 H new ATOM 0 HD21 ASN A 118 11.093 -9.342 9.132 1.00 43.15 H new ATOM 0 HD22 ASN A 118 10.699 -9.175 10.846 1.00 43.15 H new ATOM 1884 N TYR A 119 10.815 -4.624 6.188 1.00 73.43 N ATOM 1885 CA TYR A 119 10.971 -4.091 4.820 1.00 53.13 C ATOM 1886 C TYR A 119 12.087 -3.048 4.798 1.00 52.23 C ATOM 1887 O TYR A 119 13.122 -3.280 4.180 1.00 0.13 O ATOM 1888 CB TYR A 119 9.629 -3.498 4.303 1.00 50.24 C ATOM 1889 CG TYR A 119 9.658 -2.804 2.925 1.00 53.41 C ATOM 1890 CD1 TYR A 119 10.154 -3.445 1.782 1.00 3.03 C ATOM 1891 CD2 TYR A 119 9.140 -1.518 2.768 1.00 75.15 C ATOM 1892 CE1 TYR A 119 10.138 -2.821 0.547 1.00 63.45 C ATOM 1893 CE2 TYR A 119 9.131 -0.898 1.543 1.00 34.13 C ATOM 1894 CZ TYR A 119 9.624 -1.550 0.435 1.00 55.41 C ATOM 1895 OH TYR A 119 9.588 -0.921 -0.792 1.00 25.33 O ATOM 0 H TYR A 119 9.848 -4.620 6.513 1.00 73.43 H new ATOM 0 HA TYR A 119 11.246 -4.905 4.149 1.00 53.13 H new ATOM 0 HB2 TYR A 119 8.896 -4.303 4.262 1.00 50.24 H new ATOM 0 HB3 TYR A 119 9.271 -2.778 5.038 1.00 50.24 H new ATOM 0 HD1 TYR A 119 10.556 -4.444 1.866 1.00 3.03 H new ATOM 0 HD2 TYR A 119 8.738 -1.000 3.627 1.00 75.15 H new ATOM 0 HE1 TYR A 119 10.527 -3.329 -0.323 1.00 63.45 H new ATOM 0 HE2 TYR A 119 8.737 0.103 1.448 1.00 34.13 H new ATOM 0 HH TYR A 119 9.487 0.045 -0.662 1.00 25.33 H new ATOM 1905 N GLN A 120 11.901 -1.975 5.593 1.00 4.33 N ATOM 1906 CA GLN A 120 12.871 -0.874 5.728 1.00 22.41 C ATOM 1907 C GLN A 120 14.247 -1.365 6.216 1.00 73.12 C ATOM 1908 O GLN A 120 15.282 -0.843 5.780 1.00 10.23 O ATOM 1909 CB GLN A 120 12.324 0.196 6.703 1.00 34.40 C ATOM 1910 CG GLN A 120 11.026 0.878 6.232 1.00 23.05 C ATOM 1911 CD GLN A 120 10.537 1.959 7.192 1.00 22.22 C ATOM 1912 OE1 GLN A 120 10.710 1.859 8.406 1.00 44.23 O ATOM 1913 NE2 GLN A 120 9.954 3.012 6.653 1.00 54.11 N ATOM 0 H GLN A 120 11.065 -1.849 6.164 1.00 4.33 H new ATOM 0 HA GLN A 120 13.008 -0.440 4.737 1.00 22.41 H new ATOM 0 HB2 GLN A 120 12.145 -0.270 7.672 1.00 34.40 H new ATOM 0 HB3 GLN A 120 13.088 0.959 6.853 1.00 34.40 H new ATOM 0 HG2 GLN A 120 11.191 1.320 5.249 1.00 23.05 H new ATOM 0 HG3 GLN A 120 10.248 0.124 6.116 1.00 23.05 H new ATOM 0 HE21 GLN A 120 9.826 3.063 5.642 1.00 54.11 H new ATOM 0 HE22 GLN A 120 9.631 3.776 7.247 1.00 54.11 H new ATOM 1922 N GLY A 121 14.232 -2.396 7.084 1.00 64.33 N ATOM 1923 CA GLY A 121 15.452 -2.992 7.624 1.00 65.44 C ATOM 1924 C GLY A 121 16.396 -3.521 6.547 1.00 5.23 C ATOM 1925 O GLY A 121 17.595 -3.232 6.565 1.00 23.45 O ATOM 0 H GLY A 121 13.374 -2.831 7.424 1.00 64.33 H new ATOM 0 HA2 GLY A 121 15.977 -2.248 8.223 1.00 65.44 H new ATOM 0 HA3 GLY A 121 15.183 -3.809 8.294 1.00 65.44 H new ATOM 1929 N TYR A 122 15.846 -4.292 5.591 1.00 42.40 N ATOM 1930 CA TYR A 122 16.642 -4.849 4.479 1.00 64.34 C ATOM 1931 C TYR A 122 16.751 -3.884 3.273 1.00 50.54 C ATOM 1932 O TYR A 122 17.626 -4.072 2.419 1.00 52.12 O ATOM 1933 CB TYR A 122 16.138 -6.255 4.072 1.00 11.43 C ATOM 1934 CG TYR A 122 14.715 -6.360 3.504 1.00 1.51 C ATOM 1935 CD1 TYR A 122 14.400 -5.906 2.215 1.00 40.42 C ATOM 1936 CD2 TYR A 122 13.691 -6.943 4.243 1.00 73.02 C ATOM 1937 CE1 TYR A 122 13.132 -6.027 1.705 1.00 15.43 C ATOM 1938 CE2 TYR A 122 12.422 -7.069 3.725 1.00 32.52 C ATOM 1939 CZ TYR A 122 12.152 -6.607 2.461 1.00 33.32 C ATOM 1940 OH TYR A 122 10.892 -6.733 1.950 1.00 32.11 O ATOM 0 H TYR A 122 14.858 -4.543 5.565 1.00 42.40 H new ATOM 0 HA TYR A 122 17.660 -4.967 4.849 1.00 64.34 H new ATOM 0 HB2 TYR A 122 16.827 -6.658 3.330 1.00 11.43 H new ATOM 0 HB3 TYR A 122 16.199 -6.901 4.948 1.00 11.43 H new ATOM 0 HD1 TYR A 122 15.172 -5.452 1.611 1.00 40.42 H new ATOM 0 HD2 TYR A 122 13.895 -7.303 5.241 1.00 73.02 H new ATOM 0 HE1 TYR A 122 12.909 -5.666 0.712 1.00 15.43 H new ATOM 0 HE2 TYR A 122 11.641 -7.530 4.311 1.00 32.52 H new ATOM 0 HH TYR A 122 10.762 -7.647 1.623 1.00 32.11 H new ATOM 1950 N VAL A 123 15.842 -2.878 3.197 1.00 65.41 N ATOM 1951 CA VAL A 123 15.890 -1.810 2.157 1.00 44.24 C ATOM 1952 C VAL A 123 17.218 -1.043 2.247 1.00 74.30 C ATOM 1953 O VAL A 123 17.946 -0.911 1.254 1.00 44.42 O ATOM 1954 CB VAL A 123 14.674 -0.786 2.266 1.00 32.13 C ATOM 1955 CG1 VAL A 123 14.939 0.520 1.472 1.00 44.51 C ATOM 1956 CG2 VAL A 123 13.357 -1.432 1.781 1.00 11.54 C ATOM 0 H VAL A 123 15.061 -2.782 3.847 1.00 65.41 H new ATOM 0 HA VAL A 123 15.809 -2.309 1.191 1.00 44.24 H new ATOM 0 HB VAL A 123 14.578 -0.528 3.321 1.00 32.13 H new ATOM 0 HG11 VAL A 123 14.084 1.188 1.575 1.00 44.51 H new ATOM 0 HG12 VAL A 123 15.831 1.009 1.864 1.00 44.51 H new ATOM 0 HG13 VAL A 123 15.089 0.282 0.419 1.00 44.51 H new ATOM 0 HG21 VAL A 123 12.545 -0.710 1.867 1.00 11.54 H new ATOM 0 HG22 VAL A 123 13.463 -1.737 0.740 1.00 11.54 H new ATOM 0 HG23 VAL A 123 13.133 -2.305 2.394 1.00 11.54 H new ATOM 1966 N GLN A 124 17.515 -0.559 3.465 1.00 30.02 N ATOM 1967 CA GLN A 124 18.749 0.196 3.752 1.00 42.04 C ATOM 1968 C GLN A 124 19.997 -0.715 3.625 1.00 33.43 C ATOM 1969 O GLN A 124 21.098 -0.233 3.343 1.00 50.13 O ATOM 1970 CB GLN A 124 18.663 0.838 5.164 1.00 45.00 C ATOM 1971 CG GLN A 124 18.492 -0.170 6.321 1.00 12.11 C ATOM 1972 CD GLN A 124 18.236 0.484 7.681 1.00 63.23 C ATOM 1973 OE1 GLN A 124 17.532 -0.203 8.567 1.00 15.05 O flip ATOM 1974 NE2 GLN A 124 18.686 1.598 7.943 1.00 55.41 N flip ATOM 0 H GLN A 124 16.909 -0.679 4.277 1.00 30.02 H new ATOM 0 HA GLN A 124 18.850 0.994 3.017 1.00 42.04 H new ATOM 0 HB2 GLN A 124 19.567 1.421 5.339 1.00 45.00 H new ATOM 0 HB3 GLN A 124 17.825 1.535 5.181 1.00 45.00 H new ATOM 0 HG2 GLN A 124 17.663 -0.838 6.088 1.00 12.11 H new ATOM 0 HG3 GLN A 124 19.388 -0.786 6.388 1.00 12.11 H new ATOM 0 HE21 GLN A 124 19.226 2.108 7.243 1.00 55.41 H new ATOM 0 HE22 GLN A 124 18.520 2.012 8.860 1.00 55.41 H new ATOM 1983 N ASP A 125 19.781 -2.033 3.823 1.00 44.03 N ATOM 1984 CA ASP A 125 20.821 -3.080 3.688 1.00 42.22 C ATOM 1985 C ASP A 125 21.091 -3.407 2.200 1.00 14.34 C ATOM 1986 O ASP A 125 22.188 -3.857 1.846 1.00 32.31 O ATOM 1987 CB ASP A 125 20.346 -4.350 4.454 1.00 60.41 C ATOM 1988 CG ASP A 125 21.274 -5.573 4.325 1.00 11.34 C ATOM 1989 OD1 ASP A 125 22.335 -5.609 4.987 1.00 41.11 O ATOM 1990 OD2 ASP A 125 20.939 -6.515 3.582 1.00 53.51 O ATOM 0 H ASP A 125 18.868 -2.406 4.084 1.00 44.03 H new ATOM 0 HA ASP A 125 21.757 -2.720 4.114 1.00 42.22 H new ATOM 0 HB2 ASP A 125 20.242 -4.101 5.510 1.00 60.41 H new ATOM 0 HB3 ASP A 125 19.355 -4.625 4.092 1.00 60.41 H new ATOM 1995 N GLY A 126 20.085 -3.158 1.331 1.00 23.10 N ATOM 1996 CA GLY A 126 20.203 -3.397 -0.112 1.00 44.51 C ATOM 1997 C GLY A 126 19.663 -4.758 -0.557 1.00 73.52 C ATOM 1998 O GLY A 126 19.215 -4.900 -1.700 1.00 72.03 O ATOM 0 H GLY A 126 19.178 -2.788 1.615 1.00 23.10 H new ATOM 0 HA2 GLY A 126 19.668 -2.612 -0.646 1.00 44.51 H new ATOM 0 HA3 GLY A 126 21.252 -3.321 -0.399 1.00 44.51 H new ATOM 2002 N HIS A 127 19.706 -5.763 0.336 1.00 4.33 N ATOM 2003 CA HIS A 127 19.266 -7.139 0.029 1.00 44.10 C ATOM 2004 C HIS A 127 17.756 -7.263 0.245 1.00 11.52 C ATOM 2005 O HIS A 127 17.287 -7.013 1.341 1.00 21.51 O ATOM 2006 CB HIS A 127 20.031 -8.143 0.935 1.00 32.41 C ATOM 2007 CG HIS A 127 19.694 -9.598 0.722 1.00 52.03 C ATOM 2008 ND1 HIS A 127 20.353 -10.380 -0.189 1.00 24.34 N ATOM 2009 CD2 HIS A 127 18.789 -10.417 1.319 1.00 45.41 C ATOM 2010 CE1 HIS A 127 19.875 -11.603 -0.150 1.00 34.12 C ATOM 2011 NE2 HIS A 127 18.928 -11.653 0.756 1.00 1.52 N ATOM 0 H HIS A 127 20.046 -5.646 1.290 1.00 4.33 H new ATOM 0 HA HIS A 127 19.486 -7.368 -1.014 1.00 44.10 H new ATOM 0 HB2 HIS A 127 21.101 -8.009 0.774 1.00 32.41 H new ATOM 0 HB3 HIS A 127 19.831 -7.891 1.976 1.00 32.41 H new ATOM 0 HD2 HIS A 127 18.090 -10.141 2.095 1.00 45.41 H new ATOM 0 HE1 HIS A 127 20.206 -12.429 -0.762 1.00 34.12 H new ATOM 0 HE2 HIS A 127 18.384 -12.481 1.000 1.00 1.52 H new ATOM 2020 N ASP A 128 17.006 -7.674 -0.795 1.00 23.41 N ATOM 2021 CA ASP A 128 15.532 -7.834 -0.707 1.00 1.42 C ATOM 2022 C ASP A 128 15.153 -9.101 0.077 1.00 21.14 C ATOM 2023 O ASP A 128 16.003 -9.932 0.387 1.00 0.13 O ATOM 2024 CB ASP A 128 14.896 -7.899 -2.114 1.00 70.00 C ATOM 2025 CG ASP A 128 15.072 -9.266 -2.794 1.00 5.31 C ATOM 2026 OD1 ASP A 128 16.145 -9.517 -3.381 1.00 71.24 O ATOM 2027 OD2 ASP A 128 14.139 -10.113 -2.711 1.00 32.54 O ATOM 0 H ASP A 128 17.393 -7.903 -1.711 1.00 23.41 H new ATOM 0 HA ASP A 128 15.147 -6.962 -0.178 1.00 1.42 H new ATOM 0 HB2 ASP A 128 13.832 -7.673 -2.036 1.00 70.00 H new ATOM 0 HB3 ASP A 128 15.340 -7.127 -2.743 1.00 70.00 H new ATOM 2032 N HIS A 129 13.848 -9.273 0.292 1.00 43.45 N ATOM 2033 CA HIS A 129 13.260 -10.460 0.958 1.00 34.01 C ATOM 2034 C HIS A 129 11.826 -10.645 0.446 1.00 35.55 C ATOM 2035 O HIS A 129 11.003 -11.307 1.086 1.00 44.44 O ATOM 2036 CB HIS A 129 13.278 -10.340 2.520 1.00 50.44 C ATOM 2037 CG HIS A 129 14.606 -10.680 3.159 1.00 12.31 C ATOM 2038 ND1 HIS A 129 14.932 -11.953 3.559 1.00 41.21 N ATOM 2039 CD2 HIS A 129 15.683 -9.918 3.459 1.00 75.43 C ATOM 2040 CE1 HIS A 129 16.143 -11.959 4.057 1.00 41.33 C ATOM 2041 NE2 HIS A 129 16.625 -10.741 4.010 1.00 41.13 N ATOM 0 H HIS A 129 13.150 -8.586 0.008 1.00 43.45 H new ATOM 0 HA HIS A 129 13.867 -11.331 0.712 1.00 34.01 H new ATOM 0 HB2 HIS A 129 13.006 -9.321 2.797 1.00 50.44 H new ATOM 0 HB3 HIS A 129 12.512 -10.997 2.931 1.00 50.44 H new ATOM 0 HD2 HIS A 129 15.780 -8.855 3.294 1.00 75.43 H new ATOM 0 HE1 HIS A 129 16.660 -12.825 4.443 1.00 41.33 H new ATOM 0 HE2 HIS A 129 17.550 -10.455 4.331 1.00 41.13 H new ATOM 2113 N ASP A 134 14.539 -5.182 -6.575 1.00 12.20 N ATOM 2114 CA ASP A 134 15.800 -4.465 -6.812 1.00 22.12 C ATOM 2115 C ASP A 134 16.038 -3.438 -5.678 1.00 74.20 C ATOM 2116 O ASP A 134 15.076 -2.818 -5.223 1.00 45.31 O ATOM 2117 CB ASP A 134 15.767 -3.741 -8.180 1.00 71.41 C ATOM 2118 CG ASP A 134 15.422 -4.661 -9.357 1.00 50.14 C ATOM 2119 OD1 ASP A 134 14.222 -4.845 -9.645 1.00 0.21 O ATOM 2120 OD2 ASP A 134 16.342 -5.217 -9.988 1.00 74.40 O ATOM 0 HA ASP A 134 16.616 -5.188 -6.823 1.00 22.12 H new ATOM 0 HB2 ASP A 134 15.037 -2.933 -8.136 1.00 71.41 H new ATOM 0 HB3 ASP A 134 16.739 -3.282 -8.362 1.00 71.41 H new ATOM 2125 N PRO A 135 17.313 -3.250 -5.194 1.00 22.50 N ATOM 2126 CA PRO A 135 17.669 -2.179 -4.220 1.00 55.34 C ATOM 2127 C PRO A 135 17.315 -0.747 -4.705 1.00 23.42 C ATOM 2128 O PRO A 135 17.339 0.189 -3.908 1.00 21.31 O ATOM 2129 CB PRO A 135 19.202 -2.367 -3.993 1.00 74.44 C ATOM 2130 CG PRO A 135 19.669 -3.253 -5.114 1.00 23.31 C ATOM 2131 CD PRO A 135 18.482 -4.117 -5.483 1.00 55.24 C ATOM 0 HA PRO A 135 17.091 -2.272 -3.300 1.00 55.34 H new ATOM 0 HB2 PRO A 135 19.721 -1.409 -4.008 1.00 74.44 H new ATOM 0 HB3 PRO A 135 19.402 -2.823 -3.023 1.00 74.44 H new ATOM 0 HG2 PRO A 135 20.001 -2.661 -5.967 1.00 23.31 H new ATOM 0 HG3 PRO A 135 20.515 -3.865 -4.801 1.00 23.31 H new ATOM 0 HD2 PRO A 135 18.512 -4.412 -6.532 1.00 55.24 H new ATOM 0 HD3 PRO A 135 18.456 -5.034 -4.894 1.00 55.24 H new ATOM 2139 N LYS A 136 16.987 -0.587 -6.010 1.00 4.21 N ATOM 2140 CA LYS A 136 16.488 0.696 -6.559 1.00 71.34 C ATOM 2141 C LYS A 136 14.985 0.891 -6.229 1.00 43.14 C ATOM 2142 O LYS A 136 14.530 2.015 -6.012 1.00 51.42 O ATOM 2143 CB LYS A 136 16.728 0.777 -8.100 1.00 51.14 C ATOM 2144 CG LYS A 136 15.891 -0.201 -8.946 1.00 15.22 C ATOM 2145 CD LYS A 136 16.165 -0.120 -10.469 1.00 62.05 C ATOM 2146 CE LYS A 136 17.491 -0.762 -10.892 1.00 2.41 C ATOM 2147 NZ LYS A 136 17.727 -0.642 -12.362 1.00 53.44 N ATOM 0 H LYS A 136 17.060 -1.332 -6.702 1.00 4.21 H new ATOM 0 HA LYS A 136 17.049 1.502 -6.086 1.00 71.34 H new ATOM 0 HB2 LYS A 136 16.515 1.793 -8.432 1.00 51.14 H new ATOM 0 HB3 LYS A 136 17.784 0.592 -8.297 1.00 51.14 H new ATOM 0 HG2 LYS A 136 16.088 -1.218 -8.606 1.00 15.22 H new ATOM 0 HG3 LYS A 136 14.834 -0.005 -8.768 1.00 15.22 H new ATOM 0 HD2 LYS A 136 15.349 -0.608 -11.002 1.00 62.05 H new ATOM 0 HD3 LYS A 136 16.165 0.926 -10.774 1.00 62.05 H new ATOM 0 HE2 LYS A 136 18.311 -0.288 -10.353 1.00 2.41 H new ATOM 0 HE3 LYS A 136 17.490 -1.815 -10.610 1.00 2.41 H new ATOM 0 HZ1 LYS A 136 18.634 -1.089 -12.606 1.00 53.44 H new ATOM 0 HZ2 LYS A 136 16.958 -1.116 -12.877 1.00 53.44 H new ATOM 0 HZ3 LYS A 136 17.754 0.363 -12.628 1.00 53.44 H new ATOM 2161 N TYR A 137 14.229 -0.228 -6.192 1.00 13.14 N ATOM 2162 CA TYR A 137 12.769 -0.236 -5.910 1.00 44.10 C ATOM 2163 C TYR A 137 12.472 -0.449 -4.423 1.00 11.41 C ATOM 2164 O TYR A 137 11.333 -0.247 -3.976 1.00 4.21 O ATOM 2165 CB TYR A 137 12.070 -1.324 -6.754 1.00 33.21 C ATOM 2166 CG TYR A 137 12.100 -1.030 -8.257 1.00 5.34 C ATOM 2167 CD1 TYR A 137 11.508 0.129 -8.767 1.00 13.01 C ATOM 2168 CD2 TYR A 137 12.744 -1.878 -9.156 1.00 42.43 C ATOM 2169 CE1 TYR A 137 11.556 0.420 -10.115 1.00 1.24 C ATOM 2170 CE2 TYR A 137 12.798 -1.587 -10.506 1.00 51.20 C ATOM 2171 CZ TYR A 137 12.203 -0.439 -10.980 1.00 51.41 C ATOM 2172 OH TYR A 137 12.256 -0.142 -12.327 1.00 10.35 O ATOM 0 H TYR A 137 14.613 -1.158 -6.357 1.00 13.14 H new ATOM 0 HA TYR A 137 12.377 0.743 -6.184 1.00 44.10 H new ATOM 0 HB2 TYR A 137 12.551 -2.284 -6.568 1.00 33.21 H new ATOM 0 HB3 TYR A 137 11.034 -1.418 -6.429 1.00 33.21 H new ATOM 0 HD1 TYR A 137 11.005 0.808 -8.095 1.00 13.01 H new ATOM 0 HD2 TYR A 137 13.210 -2.781 -8.790 1.00 42.43 H new ATOM 0 HE1 TYR A 137 11.089 1.318 -10.492 1.00 1.24 H new ATOM 0 HE2 TYR A 137 13.304 -2.256 -11.186 1.00 51.20 H new ATOM 0 HH TYR A 137 12.748 -0.846 -12.798 1.00 10.35 H new ATOM 2182 N LEU A 138 13.498 -0.892 -3.677 1.00 41.33 N ATOM 2183 CA LEU A 138 13.457 -0.937 -2.216 1.00 62.04 C ATOM 2184 C LEU A 138 13.371 0.506 -1.686 1.00 43.10 C ATOM 2185 O LEU A 138 14.367 1.231 -1.660 1.00 23.13 O ATOM 2186 CB LEU A 138 14.707 -1.685 -1.651 1.00 30.31 C ATOM 2187 CG LEU A 138 14.738 -3.239 -1.835 1.00 61.43 C ATOM 2188 CD1 LEU A 138 16.033 -3.850 -1.254 1.00 12.21 C ATOM 2189 CD2 LEU A 138 13.495 -3.894 -1.207 1.00 70.34 C ATOM 0 H LEU A 138 14.375 -1.227 -4.075 1.00 41.33 H new ATOM 0 HA LEU A 138 12.580 -1.492 -1.883 1.00 62.04 H new ATOM 0 HB2 LEU A 138 15.596 -1.268 -2.125 1.00 30.31 H new ATOM 0 HB3 LEU A 138 14.782 -1.467 -0.586 1.00 30.31 H new ATOM 0 HG LEU A 138 14.725 -3.443 -2.906 1.00 61.43 H new ATOM 0 HD11 LEU A 138 16.022 -4.930 -1.398 1.00 12.21 H new ATOM 0 HD12 LEU A 138 16.897 -3.424 -1.764 1.00 12.21 H new ATOM 0 HD13 LEU A 138 16.095 -3.627 -0.189 1.00 12.21 H new ATOM 0 HD21 LEU A 138 13.542 -4.974 -1.349 1.00 70.34 H new ATOM 0 HD22 LEU A 138 13.465 -3.669 -0.141 1.00 70.34 H new ATOM 0 HD23 LEU A 138 12.597 -3.504 -1.686 1.00 70.34 H new ATOM 2201 N HIS A 139 12.157 0.924 -1.314 1.00 51.33 N ATOM 2202 CA HIS A 139 11.863 2.312 -0.906 1.00 61.44 C ATOM 2203 C HIS A 139 11.229 2.330 0.492 1.00 25.12 C ATOM 2204 O HIS A 139 10.131 1.803 0.670 1.00 43.22 O ATOM 2205 CB HIS A 139 10.913 2.960 -1.952 1.00 63.55 C ATOM 2206 CG HIS A 139 10.358 4.311 -1.560 1.00 63.53 C ATOM 2207 ND1 HIS A 139 9.020 4.525 -1.311 1.00 1.44 N ATOM 2208 CD2 HIS A 139 10.961 5.513 -1.377 1.00 74.33 C ATOM 2209 CE1 HIS A 139 8.831 5.787 -0.995 1.00 24.40 C ATOM 2210 NE2 HIS A 139 9.989 6.405 -1.024 1.00 24.04 N ATOM 0 H HIS A 139 11.343 0.310 -1.285 1.00 51.33 H new ATOM 0 HA HIS A 139 12.789 2.886 -0.863 1.00 61.44 H new ATOM 0 HB2 HIS A 139 11.451 3.064 -2.894 1.00 63.55 H new ATOM 0 HB3 HIS A 139 10.080 2.281 -2.134 1.00 63.55 H new ATOM 0 HD1 HIS A 139 8.290 3.815 -1.364 1.00 1.44 H new ATOM 0 HD2 HIS A 139 12.014 5.725 -1.490 1.00 74.33 H new ATOM 0 HE1 HIS A 139 7.881 6.240 -0.752 1.00 24.40 H new ATOM 2219 N GLN A 140 11.928 2.940 1.473 1.00 43.33 N ATOM 2220 CA GLN A 140 11.376 3.131 2.828 1.00 65.00 C ATOM 2221 C GLN A 140 10.284 4.208 2.781 1.00 53.43 C ATOM 2222 O GLN A 140 10.477 5.265 2.166 1.00 15.22 O ATOM 2223 CB GLN A 140 12.461 3.568 3.862 1.00 4.41 C ATOM 2224 CG GLN A 140 13.700 2.657 3.945 1.00 34.32 C ATOM 2225 CD GLN A 140 14.690 3.039 5.053 1.00 53.14 C ATOM 2226 OE1 GLN A 140 14.810 4.203 5.436 1.00 31.00 O ATOM 2227 NE2 GLN A 140 15.426 2.066 5.567 1.00 73.40 N ATOM 0 H GLN A 140 12.872 3.307 1.351 1.00 43.33 H new ATOM 0 HA GLN A 140 10.973 2.171 3.151 1.00 65.00 H new ATOM 0 HB2 GLN A 140 12.789 4.577 3.614 1.00 4.41 H new ATOM 0 HB3 GLN A 140 12.000 3.616 4.848 1.00 4.41 H new ATOM 0 HG2 GLN A 140 13.372 1.630 4.105 1.00 34.32 H new ATOM 0 HG3 GLN A 140 14.219 2.680 2.987 1.00 34.32 H new ATOM 0 HE21 GLN A 140 15.310 1.109 5.235 1.00 73.40 H new ATOM 0 HE22 GLN A 140 16.109 2.274 6.295 1.00 73.40 H new ATOM 2236 N PHE A 141 9.145 3.921 3.410 1.00 11.11 N ATOM 2237 CA PHE A 141 8.084 4.912 3.609 1.00 61.52 C ATOM 2238 C PHE A 141 8.471 5.801 4.796 1.00 1.34 C ATOM 2239 O PHE A 141 8.868 5.284 5.844 1.00 40.24 O ATOM 2240 CB PHE A 141 6.730 4.225 3.901 1.00 65.02 C ATOM 2241 CG PHE A 141 6.383 3.070 2.975 1.00 23.14 C ATOM 2242 CD1 PHE A 141 6.050 3.295 1.649 1.00 14.04 C ATOM 2243 CD2 PHE A 141 6.369 1.759 3.450 1.00 61.24 C ATOM 2244 CE1 PHE A 141 5.723 2.247 0.820 1.00 25.23 C ATOM 2245 CE2 PHE A 141 6.044 0.714 2.626 1.00 54.34 C ATOM 2246 CZ PHE A 141 5.714 0.956 1.307 1.00 61.21 C ATOM 0 H PHE A 141 8.931 3.001 3.795 1.00 11.11 H new ATOM 0 HA PHE A 141 7.973 5.505 2.701 1.00 61.52 H new ATOM 0 HB2 PHE A 141 6.740 3.858 4.927 1.00 65.02 H new ATOM 0 HB3 PHE A 141 5.939 4.972 3.837 1.00 65.02 H new ATOM 0 HD1 PHE A 141 6.047 4.303 1.262 1.00 14.04 H new ATOM 0 HD2 PHE A 141 6.618 1.565 4.483 1.00 61.24 H new ATOM 0 HE1 PHE A 141 5.473 2.435 -0.214 1.00 25.23 H new ATOM 0 HE2 PHE A 141 6.046 -0.297 3.007 1.00 54.34 H new ATOM 0 HZ PHE A 141 5.449 0.135 0.657 1.00 61.21 H new ATOM 2256 N GLU A 142 8.361 7.122 4.635 1.00 75.21 N ATOM 2257 CA GLU A 142 8.593 8.053 5.747 1.00 71.24 C ATOM 2258 C GLU A 142 7.468 7.870 6.782 1.00 72.35 C ATOM 2259 O GLU A 142 6.279 8.001 6.450 1.00 55.20 O ATOM 2260 CB GLU A 142 8.686 9.509 5.232 1.00 42.35 C ATOM 2261 CG GLU A 142 9.916 9.746 4.331 1.00 43.25 C ATOM 2262 CD GLU A 142 10.080 11.204 3.881 1.00 22.13 C ATOM 2263 OE1 GLU A 142 10.519 12.047 4.698 1.00 2.43 O ATOM 2264 OE2 GLU A 142 9.774 11.524 2.712 1.00 20.14 O ATOM 0 H GLU A 142 8.115 7.571 3.753 1.00 75.21 H new ATOM 0 HA GLU A 142 9.547 7.836 6.228 1.00 71.24 H new ATOM 0 HB2 GLU A 142 7.781 9.751 4.675 1.00 42.35 H new ATOM 0 HB3 GLU A 142 8.728 10.189 6.083 1.00 42.35 H new ATOM 0 HG2 GLU A 142 10.813 9.438 4.868 1.00 43.25 H new ATOM 0 HG3 GLU A 142 9.837 9.110 3.449 1.00 43.25 H new ATOM 2271 N GLY A 143 7.876 7.522 8.023 1.00 52.44 N ATOM 2272 CA GLY A 143 6.973 7.066 9.086 1.00 71.31 C ATOM 2273 C GLY A 143 6.266 8.209 9.793 1.00 32.30 C ATOM 2274 O GLY A 143 6.427 8.408 11.002 1.00 40.30 O ATOM 0 H GLY A 143 8.854 7.553 8.311 1.00 52.44 H new ATOM 0 HA2 GLY A 143 6.229 6.394 8.660 1.00 71.31 H new ATOM 0 HA3 GLY A 143 7.542 6.490 9.816 1.00 71.31 H new ATOM 2278 N GLU A 144 5.474 8.965 9.023 1.00 62.35 N ATOM 2279 CA GLU A 144 4.695 10.115 9.508 1.00 72.42 C ATOM 2280 C GLU A 144 3.223 9.856 9.190 1.00 71.01 C ATOM 2281 O GLU A 144 2.381 9.726 10.094 1.00 53.03 O ATOM 2282 CB GLU A 144 5.186 11.428 8.829 1.00 32.40 C ATOM 2283 CG GLU A 144 6.712 11.641 8.910 1.00 63.32 C ATOM 2284 CD GLU A 144 7.181 12.953 8.274 1.00 14.42 C ATOM 2285 OE1 GLU A 144 6.790 13.238 7.129 1.00 71.15 O ATOM 2286 OE2 GLU A 144 7.937 13.710 8.917 1.00 50.44 O ATOM 0 H GLU A 144 5.353 8.792 8.025 1.00 62.35 H new ATOM 0 HA GLU A 144 4.826 10.234 10.583 1.00 72.42 H new ATOM 0 HB2 GLU A 144 4.886 11.418 7.781 1.00 32.40 H new ATOM 0 HB3 GLU A 144 4.685 12.276 9.296 1.00 32.40 H new ATOM 0 HG2 GLU A 144 7.018 11.624 9.956 1.00 63.32 H new ATOM 0 HG3 GLU A 144 7.214 10.808 8.417 1.00 63.32 H new ATOM 2293 N THR A 145 2.928 9.748 7.881 1.00 72.23 N ATOM 2294 CA THR A 145 1.574 9.518 7.372 1.00 4.41 C ATOM 2295 C THR A 145 1.584 8.423 6.285 1.00 3.34 C ATOM 2296 O THR A 145 2.108 8.627 5.185 1.00 12.34 O ATOM 2297 CB THR A 145 0.941 10.829 6.804 1.00 62.12 C ATOM 2298 OG1 THR A 145 1.035 11.876 7.781 1.00 55.41 O ATOM 2299 CG2 THR A 145 -0.537 10.625 6.422 1.00 24.30 C ATOM 0 H THR A 145 3.632 9.819 7.146 1.00 72.23 H new ATOM 0 HA THR A 145 0.962 9.185 8.210 1.00 4.41 H new ATOM 0 HB THR A 145 1.493 11.102 5.905 1.00 62.12 H new ATOM 0 HG1 THR A 145 0.639 12.697 7.420 1.00 55.41 H new ATOM 0 HG21 THR A 145 -0.944 11.558 6.031 1.00 24.30 H new ATOM 0 HG22 THR A 145 -0.612 9.849 5.660 1.00 24.30 H new ATOM 0 HG23 THR A 145 -1.103 10.324 7.304 1.00 24.30 H new ATOM 2307 N PHE A 146 1.040 7.253 6.645 1.00 24.42 N ATOM 2308 CA PHE A 146 0.757 6.147 5.715 1.00 55.54 C ATOM 2309 C PHE A 146 -0.684 6.257 5.176 1.00 34.44 C ATOM 2310 O PHE A 146 -1.577 6.777 5.857 1.00 34.33 O ATOM 2311 CB PHE A 146 0.935 4.775 6.426 1.00 5.53 C ATOM 2312 CG PHE A 146 2.382 4.317 6.592 1.00 23.53 C ATOM 2313 CD1 PHE A 146 3.239 4.923 7.510 1.00 3.21 C ATOM 2314 CD2 PHE A 146 2.873 3.257 5.835 1.00 33.32 C ATOM 2315 CE1 PHE A 146 4.541 4.482 7.657 1.00 72.23 C ATOM 2316 CE2 PHE A 146 4.164 2.818 5.984 1.00 22.40 C ATOM 2317 CZ PHE A 146 5.000 3.424 6.894 1.00 23.12 C ATOM 0 H PHE A 146 0.779 7.043 7.608 1.00 24.42 H new ATOM 0 HA PHE A 146 1.461 6.214 4.886 1.00 55.54 H new ATOM 0 HB2 PHE A 146 0.472 4.831 7.411 1.00 5.53 H new ATOM 0 HB3 PHE A 146 0.392 4.017 5.861 1.00 5.53 H new ATOM 0 HD1 PHE A 146 2.882 5.745 8.112 1.00 3.21 H new ATOM 0 HD2 PHE A 146 2.227 2.772 5.118 1.00 33.32 H new ATOM 0 HE1 PHE A 146 5.198 4.963 8.366 1.00 72.23 H new ATOM 0 HE2 PHE A 146 4.525 1.995 5.386 1.00 22.40 H new ATOM 0 HZ PHE A 146 6.015 3.073 7.012 1.00 23.12 H new ATOM 2327 N TYR A 147 -0.884 5.767 3.945 1.00 42.51 N ATOM 2328 CA TYR A 147 -2.206 5.601 3.319 1.00 33.52 C ATOM 2329 C TYR A 147 -2.396 4.127 2.952 1.00 2.43 C ATOM 2330 O TYR A 147 -1.461 3.473 2.486 1.00 11.44 O ATOM 2331 CB TYR A 147 -2.352 6.497 2.055 1.00 2.03 C ATOM 2332 CG TYR A 147 -2.621 7.979 2.353 1.00 71.42 C ATOM 2333 CD1 TYR A 147 -1.635 8.803 2.885 1.00 70.51 C ATOM 2334 CD2 TYR A 147 -3.873 8.552 2.091 1.00 52.50 C ATOM 2335 CE1 TYR A 147 -1.879 10.133 3.146 1.00 51.42 C ATOM 2336 CE2 TYR A 147 -4.117 9.886 2.351 1.00 30.21 C ATOM 2337 CZ TYR A 147 -3.114 10.674 2.879 1.00 14.20 C ATOM 2338 OH TYR A 147 -3.344 12.013 3.134 1.00 1.34 O ATOM 0 H TYR A 147 -0.117 5.468 3.343 1.00 42.51 H new ATOM 0 HA TYR A 147 -2.974 5.911 4.027 1.00 33.52 H new ATOM 0 HB2 TYR A 147 -1.441 6.418 1.462 1.00 2.03 H new ATOM 0 HB3 TYR A 147 -3.166 6.109 1.442 1.00 2.03 H new ATOM 0 HD1 TYR A 147 -0.659 8.392 3.098 1.00 70.51 H new ATOM 0 HD2 TYR A 147 -4.661 7.939 1.678 1.00 52.50 H new ATOM 0 HE1 TYR A 147 -1.098 10.752 3.562 1.00 51.42 H new ATOM 0 HE2 TYR A 147 -5.088 10.311 2.142 1.00 30.21 H new ATOM 0 HH TYR A 147 -2.538 12.416 3.520 1.00 1.34 H new ATOM 2348 N ILE A 148 -3.611 3.618 3.185 1.00 54.24 N ATOM 2349 CA ILE A 148 -3.979 2.226 2.889 1.00 60.13 C ATOM 2350 C ILE A 148 -5.214 2.221 1.975 1.00 51.41 C ATOM 2351 O ILE A 148 -6.299 2.647 2.379 1.00 74.34 O ATOM 2352 CB ILE A 148 -4.255 1.402 4.210 1.00 74.03 C ATOM 2353 CG1 ILE A 148 -2.965 1.330 5.094 1.00 34.24 C ATOM 2354 CG2 ILE A 148 -4.793 -0.010 3.889 1.00 34.31 C ATOM 2355 CD1 ILE A 148 -3.084 0.489 6.357 1.00 24.45 C ATOM 0 H ILE A 148 -4.373 4.163 3.587 1.00 54.24 H new ATOM 0 HA ILE A 148 -3.144 1.741 2.382 1.00 60.13 H new ATOM 0 HB ILE A 148 -5.026 1.923 4.778 1.00 74.03 H new ATOM 0 HG12 ILE A 148 -2.152 0.931 4.488 1.00 34.24 H new ATOM 0 HG13 ILE A 148 -2.683 2.344 5.378 1.00 34.24 H new ATOM 0 HG21 ILE A 148 -4.973 -0.551 4.818 1.00 34.31 H new ATOM 0 HG22 ILE A 148 -5.726 0.074 3.332 1.00 34.31 H new ATOM 0 HG23 ILE A 148 -4.060 -0.551 3.290 1.00 34.31 H new ATOM 0 HD11 ILE A 148 -2.137 0.506 6.896 1.00 24.45 H new ATOM 0 HD12 ILE A 148 -3.870 0.896 6.993 1.00 24.45 H new ATOM 0 HD13 ILE A 148 -3.330 -0.538 6.088 1.00 24.45 H new ATOM 2367 N ILE A 149 -5.020 1.762 0.736 1.00 13.12 N ATOM 2368 CA ILE A 149 -6.077 1.686 -0.273 1.00 4.21 C ATOM 2369 C ILE A 149 -6.623 0.259 -0.299 1.00 13.34 C ATOM 2370 O ILE A 149 -5.883 -0.672 -0.637 1.00 74.24 O ATOM 2371 CB ILE A 149 -5.545 2.075 -1.710 1.00 1.53 C ATOM 2372 CG1 ILE A 149 -4.742 3.414 -1.667 1.00 45.35 C ATOM 2373 CG2 ILE A 149 -6.703 2.144 -2.741 1.00 33.32 C ATOM 2374 CD1 ILE A 149 -5.473 4.596 -1.058 1.00 43.34 C ATOM 0 H ILE A 149 -4.115 1.430 0.403 1.00 13.12 H new ATOM 0 HA ILE A 149 -6.861 2.396 -0.009 1.00 4.21 H new ATOM 0 HB ILE A 149 -4.864 1.289 -2.036 1.00 1.53 H new ATOM 0 HG12 ILE A 149 -3.823 3.248 -1.104 1.00 45.35 H new ATOM 0 HG13 ILE A 149 -4.450 3.675 -2.684 1.00 45.35 H new ATOM 0 HG21 ILE A 149 -6.304 2.414 -3.719 1.00 33.32 H new ATOM 0 HG22 ILE A 149 -7.192 1.172 -2.804 1.00 33.32 H new ATOM 0 HG23 ILE A 149 -7.427 2.895 -2.425 1.00 33.32 H new ATOM 0 HD11 ILE A 149 -4.826 5.473 -1.078 1.00 43.34 H new ATOM 0 HD12 ILE A 149 -6.377 4.799 -1.631 1.00 43.34 H new ATOM 0 HD13 ILE A 149 -5.741 4.366 -0.027 1.00 43.34 H new ATOM 2386 N GLU A 150 -7.892 0.098 0.091 1.00 4.34 N ATOM 2387 CA GLU A 150 -8.595 -1.187 0.032 1.00 14.34 C ATOM 2388 C GLU A 150 -8.729 -1.639 -1.436 1.00 73.41 C ATOM 2389 O GLU A 150 -9.500 -1.065 -2.215 1.00 64.34 O ATOM 2390 CB GLU A 150 -9.989 -1.065 0.714 1.00 13.52 C ATOM 2391 CG GLU A 150 -10.844 -2.359 0.703 1.00 15.01 C ATOM 2392 CD GLU A 150 -12.206 -2.211 1.407 1.00 13.50 C ATOM 2393 OE1 GLU A 150 -13.089 -1.494 0.882 1.00 0.35 O ATOM 2394 OE2 GLU A 150 -12.425 -2.858 2.456 1.00 14.40 O ATOM 0 H GLU A 150 -8.463 0.860 0.458 1.00 4.34 H new ATOM 0 HA GLU A 150 -8.022 -1.941 0.572 1.00 14.34 H new ATOM 0 HB2 GLU A 150 -9.844 -0.753 1.748 1.00 13.52 H new ATOM 0 HB3 GLU A 150 -10.550 -0.273 0.218 1.00 13.52 H new ATOM 0 HG2 GLU A 150 -11.011 -2.664 -0.330 1.00 15.01 H new ATOM 0 HG3 GLU A 150 -10.282 -3.159 1.185 1.00 15.01 H new ATOM 2401 N GLN A 151 -7.928 -2.645 -1.800 1.00 42.35 N ATOM 2402 CA GLN A 151 -7.939 -3.252 -3.135 1.00 24.00 C ATOM 2403 C GLN A 151 -8.748 -4.548 -3.059 1.00 52.45 C ATOM 2404 O GLN A 151 -8.250 -5.579 -2.609 1.00 31.42 O ATOM 2405 CB GLN A 151 -6.482 -3.534 -3.609 1.00 63.23 C ATOM 2406 CG GLN A 151 -5.562 -2.289 -3.678 1.00 71.32 C ATOM 2407 CD GLN A 151 -5.910 -1.282 -4.787 1.00 22.25 C ATOM 2408 OE1 GLN A 151 -7.060 -1.107 -5.178 1.00 31.43 O ATOM 2409 NE2 GLN A 151 -4.906 -0.601 -5.301 1.00 25.32 N ATOM 0 H GLN A 151 -7.246 -3.066 -1.169 1.00 42.35 H new ATOM 0 HA GLN A 151 -8.395 -2.575 -3.857 1.00 24.00 H new ATOM 0 HB2 GLN A 151 -6.032 -4.263 -2.935 1.00 63.23 H new ATOM 0 HB3 GLN A 151 -6.520 -3.994 -4.596 1.00 63.23 H new ATOM 0 HG2 GLN A 151 -5.599 -1.775 -2.717 1.00 71.32 H new ATOM 0 HG3 GLN A 151 -4.534 -2.623 -3.821 1.00 71.32 H new ATOM 0 HE21 GLN A 151 -3.957 -0.760 -4.964 1.00 25.32 H new ATOM 0 HE22 GLN A 151 -5.078 0.085 -6.036 1.00 25.32 H new ATOM 2418 N ARG A 152 -10.001 -4.483 -3.490 1.00 43.03 N ATOM 2419 CA ARG A 152 -10.913 -5.633 -3.504 1.00 44.21 C ATOM 2420 C ARG A 152 -11.131 -6.064 -4.961 1.00 54.32 C ATOM 2421 O ARG A 152 -11.005 -5.235 -5.874 1.00 4.31 O ATOM 2422 CB ARG A 152 -12.238 -5.255 -2.792 1.00 52.42 C ATOM 2423 CG ARG A 152 -13.260 -6.407 -2.692 1.00 60.22 C ATOM 2424 CD ARG A 152 -14.315 -6.193 -1.606 1.00 72.43 C ATOM 2425 NE ARG A 152 -15.015 -4.894 -1.712 1.00 5.12 N ATOM 2426 CZ ARG A 152 -15.015 -3.942 -0.756 1.00 11.24 C ATOM 2427 NH1 ARG A 152 -14.363 -4.134 0.392 1.00 60.53 N ATOM 2428 NH2 ARG A 152 -15.682 -2.812 -0.949 1.00 2.41 N ATOM 0 H ARG A 152 -10.423 -3.625 -3.844 1.00 43.03 H new ATOM 0 HA ARG A 152 -10.489 -6.477 -2.960 1.00 44.21 H new ATOM 0 HB2 ARG A 152 -12.008 -4.902 -1.787 1.00 52.42 H new ATOM 0 HB3 ARG A 152 -12.698 -4.423 -3.325 1.00 52.42 H new ATOM 0 HG2 ARG A 152 -13.759 -6.524 -3.654 1.00 60.22 H new ATOM 0 HG3 ARG A 152 -12.728 -7.338 -2.493 1.00 60.22 H new ATOM 0 HD2 ARG A 152 -15.048 -6.998 -1.659 1.00 72.43 H new ATOM 0 HD3 ARG A 152 -13.838 -6.261 -0.628 1.00 72.43 H new ATOM 0 HE ARG A 152 -15.535 -4.705 -2.569 1.00 5.12 H new ATOM 0 HH11 ARG A 152 -13.859 -5.006 0.553 1.00 60.53 H new ATOM 0 HH12 ARG A 152 -14.368 -3.409 1.109 1.00 60.53 H new ATOM 0 HH21 ARG A 152 -16.194 -2.664 -1.819 1.00 2.41 H new ATOM 0 HH22 ARG A 152 -15.683 -2.091 -0.228 1.00 2.41 H new ATOM 2442 N LEU A 153 -11.436 -7.361 -5.170 1.00 3.51 N ATOM 2443 CA LEU A 153 -11.665 -7.942 -6.510 1.00 14.42 C ATOM 2444 C LEU A 153 -12.814 -7.226 -7.251 1.00 13.14 C ATOM 2445 O LEU A 153 -13.674 -6.576 -6.627 1.00 11.21 O ATOM 2446 CB LEU A 153 -11.926 -9.471 -6.386 1.00 51.21 C ATOM 2447 CG LEU A 153 -10.719 -10.314 -5.854 1.00 23.44 C ATOM 2448 CD1 LEU A 153 -11.109 -11.794 -5.626 1.00 13.20 C ATOM 2449 CD2 LEU A 153 -9.497 -10.193 -6.796 1.00 21.31 C ATOM 0 H LEU A 153 -11.531 -8.037 -4.412 1.00 3.51 H new ATOM 0 HA LEU A 153 -10.767 -7.793 -7.110 1.00 14.42 H new ATOM 0 HB2 LEU A 153 -12.776 -9.625 -5.722 1.00 51.21 H new ATOM 0 HB3 LEU A 153 -12.213 -9.855 -7.365 1.00 51.21 H new ATOM 0 HG LEU A 153 -10.437 -9.903 -4.885 1.00 23.44 H new ATOM 0 HD11 LEU A 153 -10.244 -12.345 -5.257 1.00 13.20 H new ATOM 0 HD12 LEU A 153 -11.914 -11.849 -4.894 1.00 13.20 H new ATOM 0 HD13 LEU A 153 -11.444 -12.231 -6.567 1.00 13.20 H new ATOM 0 HD21 LEU A 153 -8.673 -10.789 -6.402 1.00 21.31 H new ATOM 0 HD22 LEU A 153 -9.765 -10.556 -7.788 1.00 21.31 H new ATOM 0 HD23 LEU A 153 -9.191 -9.149 -6.862 1.00 21.31 H new