USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 797 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 78 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 48 TYR OH : rot 52:sc= 0.00546 USER MOD Set 3.1: A 18 GLN : amide:sc= 0.275 X(o=-1.4,f=-1.6) USER MOD Set 3.2: A 96 HIS : no HE2:sc= -1.7! C(o=-1.4!,f=-4.6!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.166 K(o=-0.17,f=-1.4) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 140:sc= -0.581 USER MOD Single : A 50 MET CE :methyl -158:sc= -0.109 (180deg=-0.714) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot -13:sc= 0.377 USER MOD Single : A 90 SER OG : rot 29:sc= 0.149 USER MOD Single : A 92 SER OG : rot 149:sc= 0.0211 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.00647 USER MOD Single : A 102 MET CE :methyl -178:sc= 0 (180deg=-0.0126) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 157 N GLY A 12 9.133 -10.306 5.008 1.00 53.35 N ATOM 158 CA GLY A 12 9.392 -9.495 6.198 1.00 13.44 C ATOM 159 C GLY A 12 8.265 -8.516 6.517 1.00 12.42 C ATOM 160 O GLY A 12 7.141 -8.681 6.030 1.00 54.13 O ATOM 0 HA2 GLY A 12 9.544 -10.154 7.053 1.00 13.44 H new ATOM 0 HA3 GLY A 12 10.318 -8.938 6.056 1.00 13.44 H new ATOM 164 N ALA A 13 8.572 -7.496 7.346 1.00 12.51 N ATOM 165 CA ALA A 13 7.591 -6.475 7.752 1.00 70.11 C ATOM 166 C ALA A 13 8.179 -5.055 7.657 1.00 62.52 C ATOM 167 O ALA A 13 9.393 -4.870 7.800 1.00 61.22 O ATOM 168 CB ALA A 13 7.109 -6.755 9.173 1.00 54.23 C ATOM 0 H ALA A 13 9.499 -7.360 7.748 1.00 12.51 H new ATOM 0 HA ALA A 13 6.745 -6.528 7.066 1.00 70.11 H new ATOM 0 HB1 ALA A 13 6.384 -5.996 9.467 1.00 54.23 H new ATOM 0 HB2 ALA A 13 6.641 -7.739 9.211 1.00 54.23 H new ATOM 0 HB3 ALA A 13 7.958 -6.730 9.857 1.00 54.23 H new ATOM 174 N VAL A 14 7.301 -4.060 7.421 1.00 32.44 N ATOM 175 CA VAL A 14 7.700 -2.646 7.308 1.00 63.03 C ATOM 176 C VAL A 14 7.056 -1.820 8.443 1.00 64.31 C ATOM 177 O VAL A 14 5.834 -1.851 8.624 1.00 55.33 O ATOM 178 CB VAL A 14 7.319 -2.081 5.887 1.00 25.01 C ATOM 179 CG1 VAL A 14 7.103 -0.562 5.879 1.00 34.13 C ATOM 180 CG2 VAL A 14 8.379 -2.469 4.848 1.00 32.21 C ATOM 0 H VAL A 14 6.300 -4.215 7.304 1.00 32.44 H new ATOM 0 HA VAL A 14 8.782 -2.569 7.413 1.00 63.03 H new ATOM 0 HB VAL A 14 6.365 -2.537 5.623 1.00 25.01 H new ATOM 0 HG11 VAL A 14 6.844 -0.237 4.872 1.00 34.13 H new ATOM 0 HG12 VAL A 14 6.294 -0.306 6.563 1.00 34.13 H new ATOM 0 HG13 VAL A 14 8.018 -0.063 6.197 1.00 34.13 H new ATOM 0 HG21 VAL A 14 8.097 -2.069 3.874 1.00 32.21 H new ATOM 0 HG22 VAL A 14 9.345 -2.059 5.143 1.00 32.21 H new ATOM 0 HG23 VAL A 14 8.449 -3.555 4.788 1.00 32.21 H new ATOM 190 N THR A 15 7.899 -1.083 9.200 1.00 14.01 N ATOM 191 CA THR A 15 7.443 -0.238 10.321 1.00 22.12 C ATOM 192 C THR A 15 8.241 1.080 10.379 1.00 2.31 C ATOM 193 O THR A 15 9.429 1.102 10.036 1.00 25.31 O ATOM 194 CB THR A 15 7.556 -1.006 11.659 1.00 5.51 C ATOM 195 OG1 THR A 15 7.063 -0.220 12.735 1.00 14.24 O ATOM 196 CG2 THR A 15 8.968 -1.443 12.027 1.00 70.31 C ATOM 0 H THR A 15 8.908 -1.058 9.051 1.00 14.01 H new ATOM 0 HA THR A 15 6.395 0.011 10.154 1.00 22.12 H new ATOM 0 HB THR A 15 6.959 -1.904 11.501 1.00 5.51 H new ATOM 0 HG1 THR A 15 7.142 -0.724 13.572 1.00 14.24 H new ATOM 0 HG21 THR A 15 8.948 -1.973 12.979 1.00 70.31 H new ATOM 0 HG22 THR A 15 9.358 -2.103 11.252 1.00 70.31 H new ATOM 0 HG23 THR A 15 9.609 -0.566 12.113 1.00 70.31 H new ATOM 204 N THR A 16 7.576 2.171 10.813 1.00 12.24 N ATOM 205 CA THR A 16 8.211 3.500 10.919 1.00 0.13 C ATOM 206 C THR A 16 7.824 4.192 12.242 1.00 23.15 C ATOM 207 O THR A 16 6.748 3.932 12.793 1.00 12.13 O ATOM 208 CB THR A 16 7.818 4.382 9.707 1.00 22.12 C ATOM 209 OG1 THR A 16 7.846 3.634 8.492 1.00 63.44 O ATOM 210 CG2 THR A 16 8.702 5.614 9.513 1.00 42.44 C ATOM 0 H THR A 16 6.596 2.156 11.096 1.00 12.24 H new ATOM 0 HA THR A 16 9.292 3.364 10.915 1.00 0.13 H new ATOM 0 HB THR A 16 6.809 4.723 9.939 1.00 22.12 H new ATOM 0 HG1 THR A 16 7.592 4.215 7.744 1.00 63.44 H new ATOM 0 HG21 THR A 16 8.358 6.175 8.644 1.00 42.44 H new ATOM 0 HG22 THR A 16 8.645 6.246 10.399 1.00 42.44 H new ATOM 0 HG23 THR A 16 9.734 5.300 9.357 1.00 42.44 H new ATOM 218 N SER A 17 8.717 5.074 12.743 1.00 63.55 N ATOM 219 CA SER A 17 8.499 5.817 14.008 1.00 61.43 C ATOM 220 C SER A 17 7.307 6.798 13.935 1.00 71.03 C ATOM 221 O SER A 17 6.617 6.993 14.942 1.00 25.54 O ATOM 222 CB SER A 17 9.773 6.581 14.406 1.00 44.24 C ATOM 223 OG SER A 17 10.814 5.684 14.758 1.00 33.00 O ATOM 0 H SER A 17 9.603 5.291 12.287 1.00 63.55 H new ATOM 0 HA SER A 17 8.258 5.072 14.766 1.00 61.43 H new ATOM 0 HB2 SER A 17 10.096 7.212 13.578 1.00 44.24 H new ATOM 0 HB3 SER A 17 9.558 7.242 15.246 1.00 44.24 H new ATOM 0 HG SER A 17 11.614 6.193 15.006 1.00 33.00 H new ATOM 229 N GLN A 18 7.070 7.412 12.752 1.00 42.23 N ATOM 230 CA GLN A 18 5.953 8.370 12.568 1.00 74.13 C ATOM 231 C GLN A 18 4.589 7.666 12.715 1.00 72.51 C ATOM 232 O GLN A 18 3.779 8.057 13.560 1.00 53.23 O ATOM 233 CB GLN A 18 6.046 9.069 11.189 1.00 43.33 C ATOM 234 CG GLN A 18 6.908 10.333 11.176 1.00 52.50 C ATOM 235 CD GLN A 18 8.405 10.046 11.272 1.00 54.40 C ATOM 236 OE1 GLN A 18 9.022 9.602 10.302 1.00 44.41 O ATOM 237 NE2 GLN A 18 9.001 10.302 12.439 1.00 25.40 N ATOM 0 H GLN A 18 7.633 7.263 11.915 1.00 42.23 H new ATOM 0 HA GLN A 18 6.036 9.127 13.348 1.00 74.13 H new ATOM 0 HB2 GLN A 18 6.449 8.362 10.464 1.00 43.33 H new ATOM 0 HB3 GLN A 18 5.040 9.327 10.858 1.00 43.33 H new ATOM 0 HG2 GLN A 18 6.710 10.890 10.260 1.00 52.50 H new ATOM 0 HG3 GLN A 18 6.614 10.973 12.008 1.00 52.50 H new ATOM 0 HE21 GLN A 18 8.457 10.669 13.220 1.00 25.40 H new ATOM 0 HE22 GLN A 18 10.000 10.130 12.550 1.00 25.40 H new ATOM 246 N ILE A 19 4.354 6.626 11.888 1.00 1.30 N ATOM 247 CA ILE A 19 3.102 5.850 11.914 1.00 23.02 C ATOM 248 C ILE A 19 3.446 4.341 12.021 1.00 31.32 C ATOM 249 O ILE A 19 3.524 3.644 11.001 1.00 65.23 O ATOM 250 CB ILE A 19 2.209 6.142 10.651 1.00 63.45 C ATOM 251 CG1 ILE A 19 1.940 7.665 10.505 1.00 45.10 C ATOM 252 CG2 ILE A 19 0.882 5.368 10.727 1.00 5.03 C ATOM 253 CD1 ILE A 19 1.366 8.076 9.159 1.00 35.10 C ATOM 0 H ILE A 19 5.023 6.304 11.189 1.00 1.30 H new ATOM 0 HA ILE A 19 2.518 6.152 12.784 1.00 23.02 H new ATOM 0 HB ILE A 19 2.754 5.803 9.770 1.00 63.45 H new ATOM 0 HG12 ILE A 19 1.251 7.977 11.290 1.00 45.10 H new ATOM 0 HG13 ILE A 19 2.874 8.204 10.668 1.00 45.10 H new ATOM 0 HG21 ILE A 19 0.282 5.586 9.843 1.00 5.03 H new ATOM 0 HG22 ILE A 19 1.087 4.298 10.772 1.00 5.03 H new ATOM 0 HG23 ILE A 19 0.335 5.670 11.620 1.00 5.03 H new ATOM 0 HD11 ILE A 19 1.209 9.155 9.144 1.00 35.10 H new ATOM 0 HD12 ILE A 19 2.062 7.799 8.367 1.00 35.10 H new ATOM 0 HD13 ILE A 19 0.414 7.569 8.999 1.00 35.10 H new ATOM 265 N PRO A 20 3.694 3.821 13.266 1.00 21.21 N ATOM 266 CA PRO A 20 4.060 2.407 13.485 1.00 2.14 C ATOM 267 C PRO A 20 2.852 1.443 13.491 1.00 41.44 C ATOM 268 O PRO A 20 1.718 1.854 13.225 1.00 51.54 O ATOM 269 CB PRO A 20 4.752 2.452 14.859 1.00 14.12 C ATOM 270 CG PRO A 20 4.084 3.567 15.587 1.00 14.31 C ATOM 271 CD PRO A 20 3.672 4.577 14.546 1.00 11.14 C ATOM 0 HA PRO A 20 4.683 2.017 12.680 1.00 2.14 H new ATOM 0 HB2 PRO A 20 4.637 1.508 15.391 1.00 14.12 H new ATOM 0 HB3 PRO A 20 5.822 2.632 14.757 1.00 14.12 H new ATOM 0 HG2 PRO A 20 3.217 3.204 16.139 1.00 14.31 H new ATOM 0 HG3 PRO A 20 4.761 4.015 16.315 1.00 14.31 H new ATOM 0 HD2 PRO A 20 2.680 4.979 14.753 1.00 11.14 H new ATOM 0 HD3 PRO A 20 4.359 5.423 14.520 1.00 11.14 H new ATOM 279 N ALA A 21 3.122 0.156 13.801 1.00 30.41 N ATOM 280 CA ALA A 21 2.085 -0.895 13.855 1.00 43.43 C ATOM 281 C ALA A 21 1.134 -0.752 15.067 1.00 31.51 C ATOM 282 O ALA A 21 0.052 -1.347 15.064 1.00 60.53 O ATOM 283 CB ALA A 21 2.740 -2.277 13.857 1.00 64.34 C ATOM 0 H ALA A 21 4.060 -0.181 14.019 1.00 30.41 H new ATOM 0 HA ALA A 21 1.470 -0.776 12.963 1.00 43.43 H new ATOM 0 HB1 ALA A 21 1.968 -3.045 13.897 1.00 64.34 H new ATOM 0 HB2 ALA A 21 3.329 -2.402 12.949 1.00 64.34 H new ATOM 0 HB3 ALA A 21 3.390 -2.370 14.727 1.00 64.34 H new ATOM 289 N SER A 22 1.534 0.037 16.100 1.00 52.24 N ATOM 290 CA SER A 22 0.701 0.250 17.309 1.00 33.13 C ATOM 291 C SER A 22 -0.685 0.823 16.954 1.00 43.21 C ATOM 292 O SER A 22 -1.704 0.343 17.460 1.00 54.45 O ATOM 293 CB SER A 22 1.414 1.190 18.300 1.00 33.42 C ATOM 294 OG SER A 22 0.743 1.222 19.552 1.00 42.13 O ATOM 0 H SER A 22 2.425 0.533 16.117 1.00 52.24 H new ATOM 0 HA SER A 22 0.556 -0.724 17.776 1.00 33.13 H new ATOM 0 HB2 SER A 22 2.442 0.858 18.444 1.00 33.42 H new ATOM 0 HB3 SER A 22 1.459 2.196 17.883 1.00 33.42 H new ATOM 0 HG SER A 22 1.217 1.825 20.162 1.00 42.13 H new ATOM 300 N GLU A 23 -0.707 1.841 16.071 1.00 10.13 N ATOM 301 CA GLU A 23 -1.958 2.479 15.625 1.00 23.53 C ATOM 302 C GLU A 23 -2.528 1.757 14.386 1.00 22.43 C ATOM 303 O GLU A 23 -3.747 1.613 14.260 1.00 1.24 O ATOM 304 CB GLU A 23 -1.725 3.976 15.308 1.00 71.43 C ATOM 305 CG GLU A 23 -1.468 4.862 16.535 1.00 11.24 C ATOM 306 CD GLU A 23 -2.744 5.263 17.263 1.00 52.13 C ATOM 307 OE1 GLU A 23 -3.356 6.279 16.869 1.00 73.12 O ATOM 308 OE2 GLU A 23 -3.129 4.561 18.223 1.00 64.53 O1- ATOM 0 H GLU A 23 0.133 2.239 15.652 1.00 10.13 H new ATOM 0 HA GLU A 23 -2.683 2.403 16.436 1.00 23.53 H new ATOM 0 HB2 GLU A 23 -0.875 4.061 14.631 1.00 71.43 H new ATOM 0 HB3 GLU A 23 -2.596 4.360 14.776 1.00 71.43 H new ATOM 0 HG2 GLU A 23 -0.814 4.332 17.227 1.00 11.24 H new ATOM 0 HG3 GLU A 23 -0.938 5.762 16.221 1.00 11.24 H new ATOM 315 N GLN A 24 -1.632 1.308 13.475 1.00 13.34 N ATOM 316 CA GLN A 24 -2.033 0.604 12.243 1.00 52.12 C ATOM 317 C GLN A 24 -2.044 -0.923 12.460 1.00 44.43 C ATOM 318 O GLN A 24 -1.145 -1.641 12.002 1.00 35.30 O ATOM 319 CB GLN A 24 -1.096 1.010 11.069 1.00 35.33 C ATOM 320 CG GLN A 24 -1.499 2.293 10.319 1.00 63.53 C ATOM 321 CD GLN A 24 -2.063 3.404 11.211 1.00 2.43 C ATOM 322 OE1 GLN A 24 -1.383 3.891 12.115 1.00 13.32 O ATOM 323 NE2 GLN A 24 -3.315 3.802 10.973 1.00 41.40 N ATOM 0 H GLN A 24 -0.624 1.424 13.575 1.00 13.34 H new ATOM 0 HA GLN A 24 -3.050 0.899 11.983 1.00 52.12 H new ATOM 0 HB2 GLN A 24 -0.087 1.139 11.459 1.00 35.33 H new ATOM 0 HB3 GLN A 24 -1.059 0.188 10.355 1.00 35.33 H new ATOM 0 HG2 GLN A 24 -0.627 2.678 9.790 1.00 63.53 H new ATOM 0 HG3 GLN A 24 -2.243 2.038 9.564 1.00 63.53 H new ATOM 0 HE21 GLN A 24 -3.850 3.377 10.216 1.00 41.40 H new ATOM 0 HE22 GLN A 24 -3.736 4.531 11.548 1.00 41.40 H new ATOM 332 N GLU A 25 -3.089 -1.404 13.162 1.00 34.43 N ATOM 333 CA GLU A 25 -3.273 -2.841 13.453 1.00 52.33 C ATOM 334 C GLU A 25 -4.751 -3.246 13.230 1.00 1.04 C ATOM 335 O GLU A 25 -5.356 -3.933 14.063 1.00 54.44 O ATOM 336 CB GLU A 25 -2.802 -3.176 14.892 1.00 61.43 C ATOM 337 CG GLU A 25 -3.400 -2.286 15.986 1.00 34.04 C ATOM 338 CD GLU A 25 -3.034 -2.741 17.390 1.00 71.12 C ATOM 339 OE1 GLU A 25 -1.849 -2.614 17.767 1.00 42.41 O1- ATOM 340 OE2 GLU A 25 -3.932 -3.224 18.112 1.00 63.52 O ATOM 0 H GLU A 25 -3.827 -0.811 13.542 1.00 34.43 H new ATOM 0 HA GLU A 25 -2.657 -3.421 12.766 1.00 52.33 H new ATOM 0 HB2 GLU A 25 -3.054 -4.214 15.109 1.00 61.43 H new ATOM 0 HB3 GLU A 25 -1.716 -3.096 14.932 1.00 61.43 H new ATOM 0 HG2 GLU A 25 -3.057 -1.262 15.841 1.00 34.04 H new ATOM 0 HG3 GLU A 25 -4.485 -2.276 15.885 1.00 34.04 H new ATOM 347 N THR A 26 -5.321 -2.798 12.091 1.00 21.53 N ATOM 348 CA THR A 26 -6.720 -3.082 11.726 1.00 62.21 C ATOM 349 C THR A 26 -6.786 -3.922 10.438 1.00 22.22 C ATOM 350 O THR A 26 -5.973 -3.734 9.529 1.00 61.52 O ATOM 351 CB THR A 26 -7.491 -1.754 11.547 1.00 70.12 C ATOM 352 OG1 THR A 26 -7.227 -0.873 12.629 1.00 71.11 O ATOM 353 CG2 THR A 26 -8.998 -1.912 11.465 1.00 13.25 C ATOM 0 H THR A 26 -4.824 -2.232 11.403 1.00 21.53 H new ATOM 0 HA THR A 26 -7.184 -3.657 12.527 1.00 62.21 H new ATOM 0 HB THR A 26 -7.135 -1.358 10.596 1.00 70.12 H new ATOM 0 HG1 THR A 26 -7.722 -0.037 12.498 1.00 71.11 H new ATOM 0 HG21 THR A 26 -9.460 -0.933 11.340 1.00 13.25 H new ATOM 0 HG22 THR A 26 -9.252 -2.544 10.614 1.00 13.25 H new ATOM 0 HG23 THR A 26 -9.366 -2.372 12.382 1.00 13.25 H new ATOM 361 N LEU A 27 -7.766 -4.844 10.367 1.00 31.42 N ATOM 362 CA LEU A 27 -7.946 -5.714 9.189 1.00 61.25 C ATOM 363 C LEU A 27 -8.641 -4.957 8.041 1.00 62.30 C ATOM 364 O LEU A 27 -9.423 -4.032 8.286 1.00 71.12 O ATOM 365 CB LEU A 27 -8.756 -6.979 9.563 1.00 41.41 C ATOM 366 CG LEU A 27 -7.970 -8.089 10.306 1.00 71.11 C ATOM 367 CD1 LEU A 27 -8.926 -9.057 11.008 1.00 11.31 C ATOM 368 CD2 LEU A 27 -7.045 -8.850 9.345 1.00 70.35 C ATOM 0 H LEU A 27 -8.445 -5.005 11.111 1.00 31.42 H new ATOM 0 HA LEU A 27 -6.957 -6.020 8.847 1.00 61.25 H new ATOM 0 HB2 LEU A 27 -9.598 -6.677 10.186 1.00 41.41 H new ATOM 0 HB3 LEU A 27 -9.172 -7.404 8.650 1.00 41.41 H new ATOM 0 HG LEU A 27 -7.351 -7.607 11.063 1.00 71.11 H new ATOM 0 HD11 LEU A 27 -8.351 -9.827 11.522 1.00 11.31 H new ATOM 0 HD12 LEU A 27 -9.530 -8.511 11.732 1.00 11.31 H new ATOM 0 HD13 LEU A 27 -9.578 -9.524 10.270 1.00 11.31 H new ATOM 0 HD21 LEU A 27 -6.506 -9.622 9.894 1.00 70.35 H new ATOM 0 HD22 LEU A 27 -7.640 -9.312 8.557 1.00 70.35 H new ATOM 0 HD23 LEU A 27 -6.331 -8.156 8.901 1.00 70.35 H new ATOM 380 N VAL A 28 -8.343 -5.361 6.790 1.00 24.31 N ATOM 381 CA VAL A 28 -8.929 -4.732 5.589 1.00 1.14 C ATOM 382 C VAL A 28 -9.450 -5.798 4.607 1.00 52.22 C ATOM 383 O VAL A 28 -8.824 -6.851 4.439 1.00 3.14 O ATOM 384 CB VAL A 28 -7.917 -3.783 4.861 1.00 12.32 C ATOM 385 CG1 VAL A 28 -7.600 -2.560 5.726 1.00 50.31 C ATOM 386 CG2 VAL A 28 -6.622 -4.508 4.459 1.00 3.10 C ATOM 0 H VAL A 28 -7.697 -6.123 6.585 1.00 24.31 H new ATOM 0 HA VAL A 28 -9.766 -4.124 5.932 1.00 1.14 H new ATOM 0 HB VAL A 28 -8.399 -3.450 3.942 1.00 12.32 H new ATOM 0 HG11 VAL A 28 -6.896 -1.915 5.200 1.00 50.31 H new ATOM 0 HG12 VAL A 28 -8.518 -2.008 5.925 1.00 50.31 H new ATOM 0 HG13 VAL A 28 -7.160 -2.885 6.669 1.00 50.31 H new ATOM 0 HG21 VAL A 28 -5.954 -3.808 3.958 1.00 3.10 H new ATOM 0 HG22 VAL A 28 -6.134 -4.901 5.350 1.00 3.10 H new ATOM 0 HG23 VAL A 28 -6.860 -5.329 3.783 1.00 3.10 H new ATOM 396 N ARG A 29 -10.601 -5.514 3.965 1.00 21.22 N ATOM 397 CA ARG A 29 -11.224 -6.444 3.002 1.00 0.44 C ATOM 398 C ARG A 29 -11.003 -5.963 1.550 1.00 12.01 C ATOM 399 O ARG A 29 -10.966 -4.751 1.302 1.00 53.13 O ATOM 400 CB ARG A 29 -12.738 -6.589 3.292 1.00 44.13 C ATOM 401 CG ARG A 29 -13.090 -6.923 4.753 1.00 5.13 C ATOM 402 CD ARG A 29 -12.686 -8.346 5.151 1.00 20.01 C ATOM 403 NE ARG A 29 -13.485 -9.377 4.465 1.00 52.42 N ATOM 404 CZ ARG A 29 -14.737 -9.757 4.809 1.00 45.34 C ATOM 405 NH1 ARG A 29 -15.390 -9.179 5.828 1.00 54.41 N1+ ATOM 406 NH2 ARG A 29 -15.341 -10.721 4.110 1.00 24.13 N ATOM 0 H ARG A 29 -11.119 -4.645 4.097 1.00 21.22 H new ATOM 0 HA ARG A 29 -10.749 -7.418 3.117 1.00 0.44 H new ATOM 0 HB2 ARG A 29 -13.236 -5.659 3.017 1.00 44.13 H new ATOM 0 HB3 ARG A 29 -13.143 -7.370 2.648 1.00 44.13 H new ATOM 0 HG2 ARG A 29 -12.594 -6.211 5.413 1.00 5.13 H new ATOM 0 HG3 ARG A 29 -14.163 -6.800 4.901 1.00 5.13 H new ATOM 0 HD2 ARG A 29 -11.631 -8.497 4.922 1.00 20.01 H new ATOM 0 HD3 ARG A 29 -12.798 -8.463 6.229 1.00 20.01 H new ATOM 0 HE ARG A 29 -13.058 -9.843 3.664 1.00 52.42 H new ATOM 0 HH11 ARG A 29 -14.943 -8.435 6.363 1.00 54.41 H new ATOM 0 HH12 ARG A 29 -16.334 -9.484 6.067 1.00 54.41 H new ATOM 0 HH21 ARG A 29 -14.859 -11.162 3.327 1.00 24.13 H new ATOM 0 HH22 ARG A 29 -16.285 -11.017 4.359 1.00 24.13 H new ATOM 420 N PRO A 30 -10.845 -6.900 0.557 1.00 63.34 N ATOM 421 CA PRO A 30 -10.621 -6.536 -0.861 1.00 24.21 C ATOM 422 C PRO A 30 -11.897 -6.006 -1.550 1.00 4.21 C ATOM 423 O PRO A 30 -12.811 -6.782 -1.853 1.00 11.02 O ATOM 424 CB PRO A 30 -10.142 -7.857 -1.486 1.00 64.01 C ATOM 425 CG PRO A 30 -10.783 -8.922 -0.662 1.00 0.41 C ATOM 426 CD PRO A 30 -10.863 -8.377 0.739 1.00 21.20 C ATOM 0 HA PRO A 30 -9.907 -5.720 -0.973 1.00 24.21 H new ATOM 0 HB2 PRO A 30 -10.441 -7.932 -2.531 1.00 64.01 H new ATOM 0 HB3 PRO A 30 -9.055 -7.936 -1.459 1.00 64.01 H new ATOM 0 HG2 PRO A 30 -11.775 -9.165 -1.043 1.00 0.41 H new ATOM 0 HG3 PRO A 30 -10.197 -9.841 -0.690 1.00 0.41 H new ATOM 0 HD2 PRO A 30 -11.772 -8.705 1.243 1.00 21.20 H new ATOM 0 HD3 PRO A 30 -10.023 -8.714 1.346 1.00 21.20 H new ATOM 434 N LYS A 31 -11.948 -4.676 -1.788 1.00 70.44 N ATOM 435 CA LYS A 31 -13.110 -4.026 -2.436 1.00 31.23 C ATOM 436 C LYS A 31 -12.707 -2.751 -3.228 1.00 13.11 C ATOM 437 O LYS A 31 -12.894 -2.728 -4.448 1.00 22.23 O ATOM 438 CB LYS A 31 -14.217 -3.699 -1.398 1.00 10.23 C ATOM 439 CG LYS A 31 -15.262 -4.803 -1.219 1.00 73.25 C ATOM 440 CD LYS A 31 -16.202 -4.520 -0.045 1.00 52.30 C ATOM 441 CE LYS A 31 -17.302 -5.576 0.084 1.00 11.34 C ATOM 442 NZ LYS A 31 -18.430 -5.353 -0.871 1.00 52.54 N1+ ATOM 0 H LYS A 31 -11.197 -4.031 -1.541 1.00 70.44 H new ATOM 0 HA LYS A 31 -13.509 -4.740 -3.156 1.00 31.23 H new ATOM 0 HB2 LYS A 31 -13.747 -3.500 -0.435 1.00 10.23 H new ATOM 0 HB3 LYS A 31 -14.723 -2.782 -1.701 1.00 10.23 H new ATOM 0 HG2 LYS A 31 -15.845 -4.901 -2.134 1.00 73.25 H new ATOM 0 HG3 LYS A 31 -14.758 -5.756 -1.058 1.00 73.25 H new ATOM 0 HD2 LYS A 31 -15.625 -4.484 0.879 1.00 52.30 H new ATOM 0 HD3 LYS A 31 -16.657 -3.538 -0.175 1.00 52.30 H new ATOM 0 HE2 LYS A 31 -16.874 -6.563 -0.089 1.00 11.34 H new ATOM 0 HE3 LYS A 31 -17.688 -5.570 1.103 1.00 11.34 H new ATOM 0 HZ1 LYS A 31 -19.147 -6.096 -0.741 1.00 52.54 H new ATOM 0 HZ2 LYS A 31 -18.859 -4.423 -0.691 1.00 52.54 H new ATOM 0 HZ3 LYS A 31 -18.071 -5.385 -1.846 1.00 52.54 H new ATOM 456 N PRO A 32 -12.174 -1.654 -2.572 1.00 35.42 N ATOM 457 CA PRO A 32 -11.805 -0.410 -3.293 1.00 0.00 C ATOM 458 C PRO A 32 -10.565 -0.554 -4.208 1.00 55.25 C ATOM 459 O PRO A 32 -10.030 -1.655 -4.378 1.00 72.31 O ATOM 460 CB PRO A 32 -11.560 0.601 -2.155 1.00 3.20 C ATOM 461 CG PRO A 32 -11.164 -0.226 -0.986 1.00 52.22 C ATOM 462 CD PRO A 32 -11.925 -1.517 -1.108 1.00 12.31 C ATOM 0 HA PRO A 32 -12.587 -0.107 -3.989 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -10.777 1.311 -2.420 1.00 3.20 H new ATOM 0 HB3 PRO A 32 -12.458 1.181 -1.942 1.00 3.20 H new ATOM 0 HG2 PRO A 32 -10.089 -0.407 -0.983 1.00 52.22 H new ATOM 0 HG3 PRO A 32 -11.404 0.281 -0.051 1.00 52.22 H new ATOM 0 HD2 PRO A 32 -11.349 -2.358 -0.721 1.00 12.31 H new ATOM 0 HD3 PRO A 32 -12.858 -1.484 -0.546 1.00 12.31 H new ATOM 470 N LEU A 33 -10.135 0.577 -4.811 1.00 54.32 N ATOM 471 CA LEU A 33 -8.977 0.615 -5.735 1.00 41.13 C ATOM 472 C LEU A 33 -7.626 0.370 -5.018 1.00 14.23 C ATOM 473 O LEU A 33 -6.682 -0.111 -5.647 1.00 61.30 O ATOM 474 CB LEU A 33 -8.961 1.976 -6.495 1.00 2.32 C ATOM 475 CG LEU A 33 -8.223 2.051 -7.868 1.00 11.42 C ATOM 476 CD1 LEU A 33 -6.729 2.345 -7.694 1.00 70.43 C ATOM 477 CD2 LEU A 33 -8.436 0.790 -8.720 1.00 42.35 C ATOM 0 H LEU A 33 -10.578 1.485 -4.672 1.00 54.32 H new ATOM 0 HA LEU A 33 -9.097 -0.203 -6.446 1.00 41.13 H new ATOM 0 HB2 LEU A 33 -9.996 2.278 -6.657 1.00 2.32 H new ATOM 0 HB3 LEU A 33 -8.512 2.719 -5.836 1.00 2.32 H new ATOM 0 HG LEU A 33 -8.671 2.885 -8.409 1.00 11.42 H new ATOM 0 HD11 LEU A 33 -6.251 2.389 -8.672 1.00 70.43 H new ATOM 0 HD12 LEU A 33 -6.603 3.301 -7.185 1.00 70.43 H new ATOM 0 HD13 LEU A 33 -6.269 1.554 -7.101 1.00 70.43 H new ATOM 0 HD21 LEU A 33 -7.901 0.894 -9.664 1.00 42.35 H new ATOM 0 HD22 LEU A 33 -8.058 -0.080 -8.183 1.00 42.35 H new ATOM 0 HD23 LEU A 33 -9.500 0.660 -8.918 1.00 42.35 H new ATOM 489 N LEU A 34 -7.536 0.700 -3.709 1.00 45.55 N ATOM 490 CA LEU A 34 -6.287 0.515 -2.921 1.00 45.42 C ATOM 491 C LEU A 34 -5.833 -0.963 -2.865 1.00 14.53 C ATOM 492 O LEU A 34 -4.641 -1.249 -3.011 1.00 73.42 O ATOM 493 CB LEU A 34 -6.468 1.072 -1.480 1.00 2.02 C ATOM 494 CG LEU A 34 -5.221 1.684 -0.783 1.00 42.51 C ATOM 495 CD1 LEU A 34 -4.042 0.704 -0.731 1.00 55.53 C ATOM 496 CD2 LEU A 34 -4.810 3.001 -1.450 1.00 22.20 C ATOM 0 H LEU A 34 -8.309 1.095 -3.174 1.00 45.55 H new ATOM 0 HA LEU A 34 -5.504 1.074 -3.433 1.00 45.42 H new ATOM 0 HB2 LEU A 34 -7.245 1.836 -1.510 1.00 2.02 H new ATOM 0 HB3 LEU A 34 -6.841 0.263 -0.852 1.00 2.02 H new ATOM 0 HG LEU A 34 -5.505 1.894 0.248 1.00 42.51 H new ATOM 0 HD11 LEU A 34 -3.196 1.179 -0.235 1.00 55.53 H new ATOM 0 HD12 LEU A 34 -4.334 -0.188 -0.176 1.00 55.53 H new ATOM 0 HD13 LEU A 34 -3.757 0.423 -1.745 1.00 55.53 H new ATOM 0 HD21 LEU A 34 -3.935 3.408 -0.943 1.00 22.20 H new ATOM 0 HD22 LEU A 34 -4.570 2.819 -2.498 1.00 22.20 H new ATOM 0 HD23 LEU A 34 -5.632 3.714 -1.384 1.00 22.20 H new ATOM 508 N LEU A 35 -6.785 -1.892 -2.648 1.00 72.54 N ATOM 509 CA LEU A 35 -6.473 -3.335 -2.562 1.00 64.30 C ATOM 510 C LEU A 35 -6.249 -3.993 -3.951 1.00 12.34 C ATOM 511 O LEU A 35 -5.773 -5.130 -4.012 1.00 63.01 O ATOM 512 CB LEU A 35 -7.589 -4.095 -1.794 1.00 65.20 C ATOM 513 CG LEU A 35 -7.687 -3.869 -0.256 1.00 40.12 C ATOM 514 CD1 LEU A 35 -6.349 -4.101 0.453 1.00 4.11 C ATOM 515 CD2 LEU A 35 -8.239 -2.477 0.078 1.00 71.25 C ATOM 0 H LEU A 35 -7.774 -1.671 -2.529 1.00 72.54 H new ATOM 0 HA LEU A 35 -5.534 -3.410 -2.014 1.00 64.30 H new ATOM 0 HB2 LEU A 35 -8.547 -3.821 -2.236 1.00 65.20 H new ATOM 0 HB3 LEU A 35 -7.451 -5.162 -1.969 1.00 65.20 H new ATOM 0 HG LEU A 35 -8.390 -4.613 0.118 1.00 40.12 H new ATOM 0 HD11 LEU A 35 -6.470 -3.931 1.523 1.00 4.11 H new ATOM 0 HD12 LEU A 35 -6.020 -5.126 0.283 1.00 4.11 H new ATOM 0 HD13 LEU A 35 -5.603 -3.411 0.058 1.00 4.11 H new ATOM 0 HD21 LEU A 35 -8.293 -2.357 1.160 1.00 71.25 H new ATOM 0 HD22 LEU A 35 -7.581 -1.715 -0.340 1.00 71.25 H new ATOM 0 HD23 LEU A 35 -9.236 -2.369 -0.349 1.00 71.25 H new ATOM 527 N LYS A 36 -6.584 -3.287 -5.058 1.00 4.12 N ATOM 528 CA LYS A 36 -6.408 -3.828 -6.429 1.00 63.41 C ATOM 529 C LYS A 36 -4.934 -3.809 -6.896 1.00 4.04 C ATOM 530 O LYS A 36 -4.565 -4.595 -7.774 1.00 64.41 O ATOM 531 CB LYS A 36 -7.290 -3.057 -7.440 1.00 52.33 C ATOM 532 CG LYS A 36 -8.645 -3.714 -7.711 1.00 3.51 C ATOM 533 CD LYS A 36 -9.566 -2.802 -8.527 1.00 2.23 C ATOM 534 CE LYS A 36 -10.843 -3.514 -8.968 1.00 51.11 C ATOM 535 NZ LYS A 36 -11.863 -2.564 -9.504 1.00 0.03 N1+ ATOM 0 H LYS A 36 -6.976 -2.346 -5.029 1.00 4.12 H new ATOM 0 HA LYS A 36 -6.723 -4.871 -6.391 1.00 63.41 H new ATOM 0 HB2 LYS A 36 -7.456 -2.047 -7.065 1.00 52.33 H new ATOM 0 HB3 LYS A 36 -6.749 -2.963 -8.381 1.00 52.33 H new ATOM 0 HG2 LYS A 36 -8.494 -4.651 -8.247 1.00 3.51 H new ATOM 0 HG3 LYS A 36 -9.125 -3.962 -6.764 1.00 3.51 H new ATOM 0 HD2 LYS A 36 -9.827 -1.927 -7.932 1.00 2.23 H new ATOM 0 HD3 LYS A 36 -9.031 -2.442 -9.406 1.00 2.23 H new ATOM 0 HE2 LYS A 36 -10.600 -4.252 -9.732 1.00 51.11 H new ATOM 0 HE3 LYS A 36 -11.264 -4.058 -8.122 1.00 51.11 H new ATOM 0 HZ1 LYS A 36 -12.712 -3.092 -9.791 1.00 0.03 H new ATOM 0 HZ2 LYS A 36 -12.116 -1.874 -8.768 1.00 0.03 H new ATOM 0 HZ3 LYS A 36 -11.472 -2.063 -10.327 1.00 0.03 H new ATOM 549 N LEU A 37 -4.096 -2.917 -6.315 1.00 74.23 N ATOM 550 CA LEU A 37 -2.667 -2.816 -6.693 1.00 72.52 C ATOM 551 C LEU A 37 -1.869 -4.052 -6.231 1.00 23.32 C ATOM 552 O LEU A 37 -1.149 -4.659 -7.031 1.00 42.55 O ATOM 553 CB LEU A 37 -2.038 -1.522 -6.114 1.00 33.53 C ATOM 554 CG LEU A 37 -0.630 -1.144 -6.658 1.00 41.14 C ATOM 555 CD1 LEU A 37 -0.438 0.375 -6.677 1.00 11.11 C ATOM 556 CD2 LEU A 37 0.486 -1.818 -5.843 1.00 70.20 C ATOM 0 H LEU A 37 -4.383 -2.262 -5.588 1.00 74.23 H new ATOM 0 HA LEU A 37 -2.618 -2.775 -7.781 1.00 72.52 H new ATOM 0 HB2 LEU A 37 -2.717 -0.692 -6.312 1.00 33.53 H new ATOM 0 HB3 LEU A 37 -1.971 -1.628 -5.031 1.00 33.53 H new ATOM 0 HG LEU A 37 -0.567 -1.511 -7.682 1.00 41.14 H new ATOM 0 HD11 LEU A 37 0.554 0.612 -7.061 1.00 11.11 H new ATOM 0 HD12 LEU A 37 -1.193 0.829 -7.318 1.00 11.11 H new ATOM 0 HD13 LEU A 37 -0.538 0.767 -5.665 1.00 11.11 H new ATOM 0 HD21 LEU A 37 1.456 -1.533 -6.249 1.00 70.20 H new ATOM 0 HD22 LEU A 37 0.420 -1.499 -4.803 1.00 70.20 H new ATOM 0 HD23 LEU A 37 0.374 -2.901 -5.898 1.00 70.20 H new ATOM 568 N LEU A 38 -2.001 -4.408 -4.938 1.00 72.33 N ATOM 569 CA LEU A 38 -1.286 -5.567 -4.353 1.00 54.41 C ATOM 570 C LEU A 38 -1.834 -6.933 -4.836 1.00 4.31 C ATOM 571 O LEU A 38 -1.147 -7.948 -4.690 1.00 11.00 O ATOM 572 CB LEU A 38 -1.292 -5.509 -2.807 1.00 63.23 C ATOM 573 CG LEU A 38 -2.673 -5.313 -2.115 1.00 21.24 C ATOM 574 CD1 LEU A 38 -2.903 -6.362 -1.023 1.00 40.31 C ATOM 575 CD2 LEU A 38 -2.800 -3.897 -1.539 1.00 61.30 C ATOM 0 H LEU A 38 -2.596 -3.911 -4.276 1.00 72.33 H new ATOM 0 HA LEU A 38 -0.259 -5.491 -4.711 1.00 54.41 H new ATOM 0 HB2 LEU A 38 -0.852 -6.433 -2.431 1.00 63.23 H new ATOM 0 HB3 LEU A 38 -0.638 -4.695 -2.495 1.00 63.23 H new ATOM 0 HG LEU A 38 -3.444 -5.445 -2.874 1.00 21.24 H new ATOM 0 HD11 LEU A 38 -3.876 -6.197 -0.559 1.00 40.31 H new ATOM 0 HD12 LEU A 38 -2.875 -7.358 -1.464 1.00 40.31 H new ATOM 0 HD13 LEU A 38 -2.122 -6.278 -0.267 1.00 40.31 H new ATOM 0 HD21 LEU A 38 -3.773 -3.785 -1.061 1.00 61.30 H new ATOM 0 HD22 LEU A 38 -2.013 -3.732 -0.803 1.00 61.30 H new ATOM 0 HD23 LEU A 38 -2.704 -3.167 -2.343 1.00 61.30 H new ATOM 587 N LYS A 39 -3.056 -6.959 -5.409 1.00 52.01 N ATOM 588 CA LYS A 39 -3.666 -8.211 -5.905 1.00 22.14 C ATOM 589 C LYS A 39 -2.984 -8.733 -7.196 1.00 70.42 C ATOM 590 O LYS A 39 -3.051 -9.933 -7.478 1.00 23.55 O ATOM 591 CB LYS A 39 -5.179 -8.008 -6.152 1.00 50.51 C ATOM 592 CG LYS A 39 -5.990 -9.309 -6.216 1.00 20.44 C ATOM 593 CD LYS A 39 -7.503 -9.055 -6.300 1.00 51.30 C ATOM 594 CE LYS A 39 -8.139 -8.792 -4.931 1.00 1.25 C ATOM 595 NZ LYS A 39 -8.332 -10.041 -4.134 1.00 24.31 N1+ ATOM 0 H LYS A 39 -3.637 -6.131 -5.539 1.00 52.01 H new ATOM 0 HA LYS A 39 -3.518 -8.966 -5.132 1.00 22.14 H new ATOM 0 HB2 LYS A 39 -5.584 -7.380 -5.358 1.00 50.51 H new ATOM 0 HB3 LYS A 39 -5.313 -7.464 -7.087 1.00 50.51 H new ATOM 0 HG2 LYS A 39 -5.673 -9.889 -7.083 1.00 20.44 H new ATOM 0 HG3 LYS A 39 -5.774 -9.912 -5.334 1.00 20.44 H new ATOM 0 HD2 LYS A 39 -7.688 -8.201 -6.951 1.00 51.30 H new ATOM 0 HD3 LYS A 39 -7.986 -9.917 -6.760 1.00 51.30 H new ATOM 0 HE2 LYS A 39 -7.510 -8.101 -4.369 1.00 1.25 H new ATOM 0 HE3 LYS A 39 -9.103 -8.303 -5.071 1.00 1.25 H new ATOM 0 HZ1 LYS A 39 -8.765 -9.805 -3.218 1.00 24.31 H new ATOM 0 HZ2 LYS A 39 -8.955 -10.692 -4.654 1.00 24.31 H new ATOM 0 HZ3 LYS A 39 -7.411 -10.497 -3.974 1.00 24.31 H new ATOM 609 N SER A 40 -2.343 -7.831 -7.979 1.00 43.20 N ATOM 610 CA SER A 40 -1.672 -8.210 -9.240 1.00 65.42 C ATOM 611 C SER A 40 -0.197 -8.624 -9.040 1.00 63.12 C ATOM 612 O SER A 40 0.287 -9.511 -9.750 1.00 11.42 O ATOM 613 CB SER A 40 -1.750 -7.055 -10.254 1.00 41.51 C ATOM 614 OG SER A 40 -3.096 -6.723 -10.552 1.00 5.21 O ATOM 0 H SER A 40 -2.278 -6.838 -7.757 1.00 43.20 H new ATOM 0 HA SER A 40 -2.203 -9.082 -9.622 1.00 65.42 H new ATOM 0 HB2 SER A 40 -1.237 -6.181 -9.853 1.00 41.51 H new ATOM 0 HB3 SER A 40 -1.231 -7.336 -11.170 1.00 41.51 H new ATOM 0 HG SER A 40 -3.116 -5.985 -11.197 1.00 5.21 H new ATOM 620 N VAL A 41 0.519 -7.973 -8.094 1.00 71.01 N ATOM 621 CA VAL A 41 1.952 -8.277 -7.839 1.00 61.03 C ATOM 622 C VAL A 41 2.177 -9.703 -7.283 1.00 35.34 C ATOM 623 O VAL A 41 3.115 -10.386 -7.712 1.00 12.32 O ATOM 624 CB VAL A 41 2.641 -7.229 -6.894 1.00 22.04 C ATOM 625 CG1 VAL A 41 2.696 -5.852 -7.555 1.00 62.34 C ATOM 626 CG2 VAL A 41 1.963 -7.144 -5.516 1.00 45.30 C ATOM 0 H VAL A 41 0.135 -7.240 -7.498 1.00 71.01 H new ATOM 0 HA VAL A 41 2.423 -8.215 -8.820 1.00 61.03 H new ATOM 0 HB VAL A 41 3.660 -7.578 -6.727 1.00 22.04 H new ATOM 0 HG11 VAL A 41 3.178 -5.144 -6.881 1.00 62.34 H new ATOM 0 HG12 VAL A 41 3.266 -5.916 -8.482 1.00 62.34 H new ATOM 0 HG13 VAL A 41 1.684 -5.513 -7.774 1.00 62.34 H new ATOM 0 HG21 VAL A 41 2.478 -6.405 -4.902 1.00 45.30 H new ATOM 0 HG22 VAL A 41 0.921 -6.849 -5.641 1.00 45.30 H new ATOM 0 HG23 VAL A 41 2.009 -8.117 -5.027 1.00 45.30 H new ATOM 636 N GLY A 42 1.320 -10.144 -6.337 1.00 74.34 N ATOM 637 CA GLY A 42 1.457 -11.482 -5.754 1.00 53.14 C ATOM 638 C GLY A 42 0.797 -11.617 -4.385 1.00 10.22 C ATOM 639 O GLY A 42 1.478 -11.930 -3.402 1.00 0.31 O ATOM 0 H GLY A 42 0.540 -9.598 -5.970 1.00 74.34 H new ATOM 0 HA2 GLY A 42 1.019 -12.213 -6.434 1.00 53.14 H new ATOM 0 HA3 GLY A 42 2.516 -11.724 -5.664 1.00 53.14 H new ATOM 643 N ALA A 43 -0.532 -11.398 -4.324 1.00 10.54 N ATOM 644 CA ALA A 43 -1.299 -11.512 -3.071 1.00 3.22 C ATOM 645 C ALA A 43 -2.473 -12.488 -3.247 1.00 50.30 C ATOM 646 O ALA A 43 -3.507 -12.131 -3.828 1.00 34.41 O ATOM 647 CB ALA A 43 -1.793 -10.139 -2.610 1.00 52.31 C ATOM 0 H ALA A 43 -1.097 -11.140 -5.133 1.00 10.54 H new ATOM 0 HA ALA A 43 -0.640 -11.907 -2.298 1.00 3.22 H new ATOM 0 HB1 ALA A 43 -2.357 -10.247 -1.683 1.00 52.31 H new ATOM 0 HB2 ALA A 43 -0.939 -9.483 -2.441 1.00 52.31 H new ATOM 0 HB3 ALA A 43 -2.436 -9.707 -3.377 1.00 52.31 H new ATOM 653 N GLN A 44 -2.297 -13.730 -2.749 1.00 52.04 N ATOM 654 CA GLN A 44 -3.330 -14.784 -2.848 1.00 12.33 C ATOM 655 C GLN A 44 -4.144 -14.948 -1.535 1.00 72.44 C ATOM 656 O GLN A 44 -4.908 -15.912 -1.402 1.00 52.44 O ATOM 657 CB GLN A 44 -2.682 -16.131 -3.263 1.00 31.31 C ATOM 658 CG GLN A 44 -1.692 -16.730 -2.246 1.00 73.40 C ATOM 659 CD GLN A 44 -0.374 -17.170 -2.877 1.00 12.24 C ATOM 660 OE1 GLN A 44 -0.253 -18.300 -3.350 1.00 43.23 O ATOM 661 NE2 GLN A 44 0.624 -16.283 -2.889 1.00 52.24 N ATOM 0 H GLN A 44 -1.446 -14.029 -2.273 1.00 52.04 H new ATOM 0 HA GLN A 44 -4.037 -14.472 -3.617 1.00 12.33 H new ATOM 0 HB2 GLN A 44 -3.476 -16.856 -3.442 1.00 31.31 H new ATOM 0 HB3 GLN A 44 -2.161 -15.988 -4.210 1.00 31.31 H new ATOM 0 HG2 GLN A 44 -1.487 -15.992 -1.470 1.00 73.40 H new ATOM 0 HG3 GLN A 44 -2.157 -17.586 -1.757 1.00 73.40 H new ATOM 0 HE21 GLN A 44 0.487 -15.355 -2.487 1.00 52.24 H new ATOM 0 HE22 GLN A 44 1.524 -16.533 -3.300 1.00 52.24 H new ATOM 670 N LYS A 45 -3.992 -14.003 -0.577 1.00 50.42 N ATOM 671 CA LYS A 45 -4.721 -14.053 0.707 1.00 60.25 C ATOM 672 C LYS A 45 -6.127 -13.442 0.563 1.00 13.42 C ATOM 673 O LYS A 45 -6.354 -12.589 -0.302 1.00 64.00 O ATOM 674 CB LYS A 45 -3.924 -13.313 1.809 1.00 34.02 C ATOM 675 CG LYS A 45 -2.732 -14.106 2.376 1.00 42.24 C ATOM 676 CD LYS A 45 -2.927 -14.507 3.845 1.00 64.41 C ATOM 677 CE LYS A 45 -2.644 -13.354 4.813 1.00 21.24 C ATOM 678 NZ LYS A 45 -3.154 -13.636 6.189 1.00 63.44 N1+ ATOM 0 H LYS A 45 -3.371 -13.199 -0.672 1.00 50.42 H new ATOM 0 HA LYS A 45 -4.830 -15.098 0.996 1.00 60.25 H new ATOM 0 HB2 LYS A 45 -3.557 -12.370 1.403 1.00 34.02 H new ATOM 0 HB3 LYS A 45 -4.602 -13.066 2.626 1.00 34.02 H new ATOM 0 HG2 LYS A 45 -2.581 -15.004 1.776 1.00 42.24 H new ATOM 0 HG3 LYS A 45 -1.827 -13.506 2.285 1.00 42.24 H new ATOM 0 HD2 LYS A 45 -3.950 -14.855 3.990 1.00 64.41 H new ATOM 0 HD3 LYS A 45 -2.269 -15.344 4.080 1.00 64.41 H new ATOM 0 HE2 LYS A 45 -1.570 -13.172 4.855 1.00 21.24 H new ATOM 0 HE3 LYS A 45 -3.107 -12.442 4.435 1.00 21.24 H new ATOM 0 HZ1 LYS A 45 -2.941 -12.830 6.810 1.00 63.44 H new ATOM 0 HZ2 LYS A 45 -4.183 -13.784 6.154 1.00 63.44 H new ATOM 0 HZ3 LYS A 45 -2.694 -14.491 6.561 1.00 63.44 H new ATOM 692 N ASP A 46 -7.066 -13.885 1.424 1.00 65.12 N ATOM 693 CA ASP A 46 -8.457 -13.388 1.405 1.00 63.35 C ATOM 694 C ASP A 46 -8.574 -12.036 2.133 1.00 73.40 C ATOM 695 O ASP A 46 -9.218 -11.113 1.624 1.00 45.24 O ATOM 696 CB ASP A 46 -9.414 -14.416 2.046 1.00 43.00 C ATOM 697 CG ASP A 46 -9.569 -15.681 1.214 1.00 22.52 C ATOM 698 OD1 ASP A 46 -10.454 -15.708 0.333 1.00 25.32 O ATOM 699 OD2 ASP A 46 -8.803 -16.641 1.444 1.00 70.45 O1- ATOM 0 H ASP A 46 -6.886 -14.587 2.142 1.00 65.12 H new ATOM 0 HA ASP A 46 -8.741 -13.244 0.363 1.00 63.35 H new ATOM 0 HB2 ASP A 46 -9.043 -14.682 3.036 1.00 43.00 H new ATOM 0 HB3 ASP A 46 -10.393 -13.956 2.185 1.00 43.00 H new ATOM 704 N THR A 47 -7.946 -11.929 3.324 1.00 54.42 N ATOM 705 CA THR A 47 -7.968 -10.695 4.134 1.00 70.52 C ATOM 706 C THR A 47 -6.542 -10.268 4.518 1.00 54.32 C ATOM 707 O THR A 47 -5.731 -11.104 4.936 1.00 53.22 O ATOM 708 CB THR A 47 -8.824 -10.895 5.404 1.00 53.11 C ATOM 709 OG1 THR A 47 -8.365 -12.006 6.160 1.00 65.41 O ATOM 710 CG2 THR A 47 -10.299 -11.122 5.117 1.00 74.33 C ATOM 0 H THR A 47 -7.414 -12.690 3.747 1.00 54.42 H new ATOM 0 HA THR A 47 -8.415 -9.904 3.532 1.00 70.52 H new ATOM 0 HB THR A 47 -8.716 -9.964 5.960 1.00 53.11 H new ATOM 0 HG1 THR A 47 -8.922 -12.110 6.959 1.00 65.41 H new ATOM 0 HG21 THR A 47 -10.836 -11.254 6.056 1.00 74.33 H new ATOM 0 HG22 THR A 47 -10.703 -10.260 4.586 1.00 74.33 H new ATOM 0 HG23 THR A 47 -10.417 -12.015 4.503 1.00 74.33 H new ATOM 718 N TYR A 48 -6.248 -8.960 4.373 1.00 72.53 N ATOM 719 CA TYR A 48 -4.921 -8.397 4.700 1.00 3.22 C ATOM 720 C TYR A 48 -5.017 -7.465 5.922 1.00 63.34 C ATOM 721 O TYR A 48 -6.119 -7.166 6.392 1.00 40.24 O ATOM 722 CB TYR A 48 -4.328 -7.630 3.486 1.00 51.44 C ATOM 723 CG TYR A 48 -4.729 -8.178 2.115 1.00 54.45 C ATOM 724 CD1 TYR A 48 -4.150 -9.337 1.604 1.00 14.13 C ATOM 725 CD2 TYR A 48 -5.688 -7.531 1.338 1.00 44.03 C ATOM 726 CE1 TYR A 48 -4.511 -9.829 0.363 1.00 71.30 C ATOM 727 CE2 TYR A 48 -6.054 -8.019 0.098 1.00 21.10 C ATOM 728 CZ TYR A 48 -5.464 -9.168 -0.385 1.00 4.32 C ATOM 729 OH TYR A 48 -5.827 -9.657 -1.621 1.00 74.22 O ATOM 0 H TYR A 48 -6.916 -8.270 4.030 1.00 72.53 H new ATOM 0 HA TYR A 48 -4.254 -9.225 4.941 1.00 3.22 H new ATOM 0 HB2 TYR A 48 -4.638 -6.587 3.548 1.00 51.44 H new ATOM 0 HB3 TYR A 48 -3.241 -7.645 3.562 1.00 51.44 H new ATOM 0 HD1 TYR A 48 -3.406 -9.860 2.187 1.00 14.13 H new ATOM 0 HD2 TYR A 48 -6.154 -6.631 1.712 1.00 44.03 H new ATOM 0 HE1 TYR A 48 -4.049 -10.727 -0.019 1.00 71.30 H new ATOM 0 HE2 TYR A 48 -6.799 -7.503 -0.490 1.00 21.10 H new ATOM 0 HH TYR A 48 -6.062 -10.605 -1.542 1.00 74.22 H new ATOM 739 N THR A 49 -3.854 -7.004 6.423 1.00 5.43 N ATOM 740 CA THR A 49 -3.786 -6.091 7.583 1.00 40.32 C ATOM 741 C THR A 49 -3.336 -4.686 7.135 1.00 54.43 C ATOM 742 O THR A 49 -2.893 -4.507 5.996 1.00 14.54 O ATOM 743 CB THR A 49 -2.825 -6.649 8.656 1.00 31.24 C ATOM 744 OG1 THR A 49 -1.591 -7.036 8.080 1.00 73.02 O ATOM 745 CG2 THR A 49 -3.375 -7.850 9.411 1.00 72.31 C ATOM 0 H THR A 49 -2.942 -7.251 6.039 1.00 5.43 H new ATOM 0 HA THR A 49 -4.782 -6.013 8.020 1.00 40.32 H new ATOM 0 HB THR A 49 -2.694 -5.830 9.363 1.00 31.24 H new ATOM 0 HG1 THR A 49 -0.857 -6.777 8.675 1.00 73.02 H new ATOM 0 HG21 THR A 49 -2.643 -8.184 10.146 1.00 72.31 H new ATOM 0 HG22 THR A 49 -4.297 -7.569 9.919 1.00 72.31 H new ATOM 0 HG23 THR A 49 -3.579 -8.659 8.709 1.00 72.31 H new ATOM 753 N MET A 50 -3.453 -3.692 8.043 1.00 70.01 N ATOM 754 CA MET A 50 -3.058 -2.294 7.748 1.00 32.25 C ATOM 755 C MET A 50 -1.520 -2.122 7.657 1.00 45.02 C ATOM 756 O MET A 50 -1.048 -1.168 7.030 1.00 3.11 O ATOM 757 CB MET A 50 -3.641 -1.328 8.810 1.00 31.42 C ATOM 758 CG MET A 50 -3.892 0.102 8.313 1.00 61.11 C ATOM 759 SD MET A 50 -5.408 0.280 7.335 1.00 34.52 S ATOM 760 CE MET A 50 -4.759 0.343 5.663 1.00 30.02 C ATOM 0 H MET A 50 -3.817 -3.830 8.986 1.00 70.01 H new ATOM 0 HA MET A 50 -3.472 -2.047 6.770 1.00 32.25 H new ATOM 0 HB2 MET A 50 -4.581 -1.740 9.178 1.00 31.42 H new ATOM 0 HB3 MET A 50 -2.957 -1.288 9.658 1.00 31.42 H new ATOM 0 HG2 MET A 50 -3.944 0.771 9.172 1.00 61.11 H new ATOM 0 HG3 MET A 50 -3.042 0.422 7.710 1.00 61.11 H new ATOM 0 HE1 MET A 50 -5.484 0.827 5.009 1.00 30.02 H new ATOM 0 HE2 MET A 50 -3.828 0.910 5.655 1.00 30.02 H new ATOM 0 HE3 MET A 50 -4.570 -0.670 5.308 1.00 30.02 H new ATOM 770 N LYS A 51 -0.750 -3.042 8.279 1.00 11.22 N ATOM 771 CA LYS A 51 0.729 -2.987 8.256 1.00 50.03 C ATOM 772 C LYS A 51 1.317 -3.772 7.061 1.00 64.11 C ATOM 773 O LYS A 51 2.332 -3.355 6.493 1.00 33.30 O ATOM 774 CB LYS A 51 1.327 -3.498 9.590 1.00 5.15 C ATOM 775 CG LYS A 51 0.908 -4.920 9.998 1.00 55.11 C ATOM 776 CD LYS A 51 1.741 -5.464 11.164 1.00 1.21 C ATOM 777 CE LYS A 51 3.063 -6.081 10.701 1.00 74.21 C ATOM 778 NZ LYS A 51 3.901 -6.547 11.845 1.00 51.40 N1+ ATOM 0 H LYS A 51 -1.128 -3.831 8.803 1.00 11.22 H new ATOM 0 HA LYS A 51 1.007 -1.940 8.132 1.00 50.03 H new ATOM 0 HB2 LYS A 51 2.414 -3.464 9.518 1.00 5.15 H new ATOM 0 HB3 LYS A 51 1.039 -2.810 10.385 1.00 5.15 H new ATOM 0 HG2 LYS A 51 -0.146 -4.919 10.277 1.00 55.11 H new ATOM 0 HG3 LYS A 51 1.010 -5.586 9.141 1.00 55.11 H new ATOM 0 HD2 LYS A 51 1.947 -4.657 11.867 1.00 1.21 H new ATOM 0 HD3 LYS A 51 1.162 -6.215 11.701 1.00 1.21 H new ATOM 0 HE2 LYS A 51 2.857 -6.921 10.038 1.00 74.21 H new ATOM 0 HE3 LYS A 51 3.621 -5.346 10.120 1.00 74.21 H new ATOM 0 HZ1 LYS A 51 4.786 -6.957 11.483 1.00 51.40 H new ATOM 0 HZ2 LYS A 51 4.121 -5.741 12.465 1.00 51.40 H new ATOM 0 HZ3 LYS A 51 3.381 -7.268 12.385 1.00 51.40 H new ATOM 792 N GLU A 52 0.675 -4.903 6.686 1.00 13.13 N ATOM 793 CA GLU A 52 1.138 -5.742 5.558 1.00 23.55 C ATOM 794 C GLU A 52 0.818 -5.104 4.185 1.00 23.21 C ATOM 795 O GLU A 52 1.522 -5.382 3.208 1.00 2.52 O ATOM 796 CB GLU A 52 0.531 -7.164 5.641 1.00 40.50 C ATOM 797 CG GLU A 52 1.121 -8.036 6.765 1.00 13.43 C ATOM 798 CD GLU A 52 1.562 -9.415 6.297 1.00 32.42 C ATOM 799 OE1 GLU A 52 2.712 -9.544 5.828 1.00 44.53 O1- ATOM 800 OE2 GLU A 52 0.757 -10.366 6.406 1.00 23.31 O ATOM 0 H GLU A 52 -0.164 -5.254 7.148 1.00 13.13 H new ATOM 0 HA GLU A 52 2.222 -5.814 5.643 1.00 23.55 H new ATOM 0 HB2 GLU A 52 -0.546 -7.080 5.789 1.00 40.50 H new ATOM 0 HB3 GLU A 52 0.683 -7.668 4.687 1.00 40.50 H new ATOM 0 HG2 GLU A 52 1.975 -7.520 7.204 1.00 13.43 H new ATOM 0 HG3 GLU A 52 0.377 -8.150 7.554 1.00 13.43 H new ATOM 807 N VAL A 53 -0.231 -4.245 4.116 1.00 42.50 N ATOM 808 CA VAL A 53 -0.629 -3.563 2.859 1.00 1.21 C ATOM 809 C VAL A 53 0.507 -2.668 2.287 1.00 75.25 C ATOM 810 O VAL A 53 0.629 -2.531 1.066 1.00 52.13 O ATOM 811 CB VAL A 53 -1.953 -2.733 3.058 1.00 4.15 C ATOM 812 CG1 VAL A 53 -1.733 -1.452 3.875 1.00 21.14 C ATOM 813 CG2 VAL A 53 -2.633 -2.424 1.717 1.00 53.04 C ATOM 0 H VAL A 53 -0.816 -4.009 4.917 1.00 42.50 H new ATOM 0 HA VAL A 53 -0.821 -4.344 2.124 1.00 1.21 H new ATOM 0 HB VAL A 53 -2.625 -3.365 3.639 1.00 4.15 H new ATOM 0 HG11 VAL A 53 -2.679 -0.921 3.980 1.00 21.14 H new ATOM 0 HG12 VAL A 53 -1.351 -1.711 4.862 1.00 21.14 H new ATOM 0 HG13 VAL A 53 -1.013 -0.813 3.363 1.00 21.14 H new ATOM 0 HG21 VAL A 53 -3.543 -1.850 1.894 1.00 53.04 H new ATOM 0 HG22 VAL A 53 -1.955 -1.845 1.090 1.00 53.04 H new ATOM 0 HG23 VAL A 53 -2.885 -3.357 1.213 1.00 53.04 H new ATOM 823 N LEU A 54 1.338 -2.080 3.181 1.00 13.51 N ATOM 824 CA LEU A 54 2.471 -1.216 2.776 1.00 2.34 C ATOM 825 C LEU A 54 3.624 -2.044 2.166 1.00 73.44 C ATOM 826 O LEU A 54 4.308 -1.568 1.255 1.00 74.02 O ATOM 827 CB LEU A 54 2.982 -0.380 3.988 1.00 22.22 C ATOM 828 CG LEU A 54 2.366 1.032 4.169 1.00 64.42 C ATOM 829 CD1 LEU A 54 2.840 1.990 3.073 1.00 22.31 C ATOM 830 CD2 LEU A 54 0.834 0.974 4.221 1.00 71.31 C ATOM 0 H LEU A 54 1.243 -2.190 4.191 1.00 13.51 H new ATOM 0 HA LEU A 54 2.109 -0.533 2.007 1.00 2.34 H new ATOM 0 HB2 LEU A 54 2.797 -0.951 4.898 1.00 22.22 H new ATOM 0 HB3 LEU A 54 4.062 -0.271 3.895 1.00 22.22 H new ATOM 0 HG LEU A 54 2.716 1.418 5.126 1.00 64.42 H new ATOM 0 HD11 LEU A 54 2.391 2.971 3.228 1.00 22.31 H new ATOM 0 HD12 LEU A 54 3.926 2.078 3.111 1.00 22.31 H new ATOM 0 HD13 LEU A 54 2.541 1.604 2.098 1.00 22.31 H new ATOM 0 HD21 LEU A 54 0.436 1.981 4.349 1.00 71.31 H new ATOM 0 HD22 LEU A 54 0.454 0.549 3.292 1.00 71.31 H new ATOM 0 HD23 LEU A 54 0.522 0.351 5.059 1.00 71.31 H new ATOM 842 N PHE A 55 3.826 -3.286 2.668 1.00 43.35 N ATOM 843 CA PHE A 55 4.886 -4.187 2.168 1.00 51.32 C ATOM 844 C PHE A 55 4.629 -4.623 0.706 1.00 34.53 C ATOM 845 O PHE A 55 5.576 -4.726 -0.080 1.00 21.25 O ATOM 846 CB PHE A 55 5.015 -5.431 3.078 1.00 62.43 C ATOM 847 CG PHE A 55 6.344 -6.155 2.955 1.00 0.22 C ATOM 848 CD1 PHE A 55 6.543 -7.129 1.980 1.00 41.11 C ATOM 849 CD2 PHE A 55 7.395 -5.856 3.814 1.00 62.12 C ATOM 850 CE1 PHE A 55 7.755 -7.784 1.870 1.00 15.41 C ATOM 851 CE2 PHE A 55 8.608 -6.509 3.704 1.00 13.02 C ATOM 852 CZ PHE A 55 8.787 -7.474 2.731 1.00 12.21 C ATOM 0 H PHE A 55 3.266 -3.685 3.421 1.00 43.35 H new ATOM 0 HA PHE A 55 5.822 -3.629 2.190 1.00 51.32 H new ATOM 0 HB2 PHE A 55 4.875 -5.125 4.115 1.00 62.43 H new ATOM 0 HB3 PHE A 55 4.211 -6.127 2.839 1.00 62.43 H new ATOM 0 HD1 PHE A 55 5.740 -7.376 1.301 1.00 41.11 H new ATOM 0 HD2 PHE A 55 7.262 -5.104 4.577 1.00 62.12 H new ATOM 0 HE1 PHE A 55 7.894 -8.539 1.110 1.00 15.41 H new ATOM 0 HE2 PHE A 55 9.416 -6.265 4.378 1.00 13.02 H new ATOM 0 HZ PHE A 55 9.734 -7.985 2.645 1.00 12.21 H new ATOM 862 N TYR A 56 3.348 -4.871 0.351 1.00 23.24 N ATOM 863 CA TYR A 56 2.975 -5.284 -1.019 1.00 34.31 C ATOM 864 C TYR A 56 2.957 -4.081 -1.983 1.00 23.24 C ATOM 865 O TYR A 56 3.327 -4.223 -3.153 1.00 22.31 O ATOM 866 CB TYR A 56 1.603 -5.994 -1.030 1.00 23.33 C ATOM 867 CG TYR A 56 1.573 -7.319 -0.267 1.00 34.14 C ATOM 868 CD1 TYR A 56 2.249 -8.441 -0.746 1.00 72.32 C ATOM 869 CD2 TYR A 56 0.869 -7.446 0.929 1.00 61.10 C ATOM 870 CE1 TYR A 56 2.223 -9.640 -0.059 1.00 24.23 C ATOM 871 CE2 TYR A 56 0.842 -8.643 1.621 1.00 31.21 C ATOM 872 CZ TYR A 56 1.520 -9.736 1.123 1.00 74.31 C ATOM 873 OH TYR A 56 1.490 -10.932 1.808 1.00 64.40 O ATOM 0 H TYR A 56 2.559 -4.792 0.992 1.00 23.24 H new ATOM 0 HA TYR A 56 3.734 -5.987 -1.363 1.00 34.31 H new ATOM 0 HB2 TYR A 56 0.857 -5.325 -0.601 1.00 23.33 H new ATOM 0 HB3 TYR A 56 1.310 -6.177 -2.064 1.00 23.33 H new ATOM 0 HD1 TYR A 56 2.803 -8.372 -1.671 1.00 72.32 H new ATOM 0 HD2 TYR A 56 0.335 -6.594 1.323 1.00 61.10 H new ATOM 0 HE1 TYR A 56 2.751 -10.498 -0.447 1.00 24.23 H new ATOM 0 HE2 TYR A 56 0.292 -8.722 2.547 1.00 31.21 H new ATOM 0 HH TYR A 56 0.952 -10.830 2.621 1.00 64.40 H new ATOM 883 N LEU A 57 2.536 -2.897 -1.484 1.00 14.35 N ATOM 884 CA LEU A 57 2.482 -1.662 -2.299 1.00 11.20 C ATOM 885 C LEU A 57 3.899 -1.127 -2.611 1.00 41.54 C ATOM 886 O LEU A 57 4.152 -0.663 -3.727 1.00 50.05 O ATOM 887 CB LEU A 57 1.636 -0.575 -1.583 1.00 54.12 C ATOM 888 CG LEU A 57 0.695 0.264 -2.481 1.00 24.41 C ATOM 889 CD1 LEU A 57 -0.277 1.081 -1.625 1.00 74.53 C ATOM 890 CD2 LEU A 57 1.488 1.176 -3.425 1.00 2.10 C ATOM 0 H LEU A 57 2.228 -2.771 -0.520 1.00 14.35 H new ATOM 0 HA LEU A 57 2.005 -1.910 -3.247 1.00 11.20 H new ATOM 0 HB2 LEU A 57 1.033 -1.061 -0.816 1.00 54.12 H new ATOM 0 HB3 LEU A 57 2.316 0.105 -1.071 1.00 54.12 H new ATOM 0 HG LEU A 57 0.118 -0.426 -3.097 1.00 24.41 H new ATOM 0 HD11 LEU A 57 -0.931 1.665 -2.273 1.00 74.53 H new ATOM 0 HD12 LEU A 57 -0.879 0.408 -1.014 1.00 74.53 H new ATOM 0 HD13 LEU A 57 0.285 1.753 -0.977 1.00 74.53 H new ATOM 0 HD21 LEU A 57 0.797 1.751 -4.041 1.00 2.10 H new ATOM 0 HD22 LEU A 57 2.105 1.857 -2.839 1.00 2.10 H new ATOM 0 HD23 LEU A 57 2.127 0.569 -4.066 1.00 2.10 H new ATOM 902 N GLY A 58 4.819 -1.207 -1.622 1.00 3.12 N ATOM 903 CA GLY A 58 6.198 -0.740 -1.807 1.00 12.24 C ATOM 904 C GLY A 58 7.023 -1.607 -2.764 1.00 42.20 C ATOM 905 O GLY A 58 7.951 -1.099 -3.404 1.00 33.15 O ATOM 0 H GLY A 58 4.626 -1.589 -0.696 1.00 3.12 H new ATOM 0 HA2 GLY A 58 6.178 0.282 -2.184 1.00 12.24 H new ATOM 0 HA3 GLY A 58 6.695 -0.712 -0.837 1.00 12.24 H new ATOM 909 N GLN A 59 6.680 -2.912 -2.872 1.00 11.05 N ATOM 910 CA GLN A 59 7.387 -3.851 -3.770 1.00 63.13 C ATOM 911 C GLN A 59 7.158 -3.501 -5.260 1.00 53.15 C ATOM 912 O GLN A 59 8.045 -3.726 -6.088 1.00 43.14 O ATOM 913 CB GLN A 59 6.946 -5.309 -3.488 1.00 62.34 C ATOM 914 CG GLN A 59 7.939 -6.378 -3.958 1.00 25.55 C ATOM 915 CD GLN A 59 9.103 -6.583 -2.992 1.00 44.50 C ATOM 916 OE1 GLN A 59 10.079 -5.832 -3.017 1.00 31.52 O ATOM 917 NE2 GLN A 59 9.013 -7.607 -2.138 1.00 13.42 N ATOM 0 H GLN A 59 5.916 -3.338 -2.347 1.00 11.05 H new ATOM 0 HA GLN A 59 8.454 -3.757 -3.567 1.00 63.13 H new ATOM 0 HB2 GLN A 59 6.787 -5.426 -2.416 1.00 62.34 H new ATOM 0 HB3 GLN A 59 5.986 -5.485 -3.974 1.00 62.34 H new ATOM 0 HG2 GLN A 59 7.412 -7.323 -4.087 1.00 25.55 H new ATOM 0 HG3 GLN A 59 8.331 -6.096 -4.935 1.00 25.55 H new ATOM 0 HE21 GLN A 59 8.189 -8.208 -2.147 1.00 13.42 H new ATOM 0 HE22 GLN A 59 9.769 -7.788 -1.477 1.00 13.42 H new ATOM 926 N TYR A 60 5.969 -2.938 -5.586 1.00 11.50 N ATOM 927 CA TYR A 60 5.627 -2.541 -6.971 1.00 62.42 C ATOM 928 C TYR A 60 6.491 -1.349 -7.450 1.00 55.52 C ATOM 929 O TYR A 60 6.795 -1.248 -8.640 1.00 32.55 O ATOM 930 CB TYR A 60 4.120 -2.199 -7.076 1.00 41.12 C ATOM 931 CG TYR A 60 3.595 -2.007 -8.503 1.00 65.24 C ATOM 932 CD1 TYR A 60 3.666 -3.036 -9.445 1.00 42.43 C ATOM 933 CD2 TYR A 60 3.024 -0.800 -8.904 1.00 21.54 C ATOM 934 CE1 TYR A 60 3.189 -2.864 -10.731 1.00 73.30 C ATOM 935 CE2 TYR A 60 2.544 -0.625 -10.189 1.00 54.54 C ATOM 936 CZ TYR A 60 2.628 -1.658 -11.098 1.00 72.12 C ATOM 937 OH TYR A 60 2.151 -1.486 -12.379 1.00 64.23 O ATOM 0 H TYR A 60 5.231 -2.749 -4.907 1.00 11.50 H new ATOM 0 HA TYR A 60 5.842 -3.387 -7.624 1.00 62.42 H new ATOM 0 HB2 TYR A 60 3.548 -2.995 -6.599 1.00 41.12 H new ATOM 0 HB3 TYR A 60 3.930 -1.287 -6.510 1.00 41.12 H new ATOM 0 HD1 TYR A 60 4.102 -3.983 -9.163 1.00 42.43 H new ATOM 0 HD2 TYR A 60 2.955 0.014 -8.197 1.00 21.54 H new ATOM 0 HE1 TYR A 60 3.255 -3.671 -11.446 1.00 73.30 H new ATOM 0 HE2 TYR A 60 2.105 0.318 -10.480 1.00 54.54 H new ATOM 0 HH TYR A 60 1.787 -0.581 -12.474 1.00 64.23 H new ATOM 947 N ILE A 61 6.889 -0.460 -6.512 1.00 51.11 N ATOM 948 CA ILE A 61 7.726 0.721 -6.828 1.00 63.14 C ATOM 949 C ILE A 61 9.206 0.311 -7.076 1.00 0.41 C ATOM 950 O ILE A 61 9.903 0.966 -7.858 1.00 72.51 O ATOM 951 CB ILE A 61 7.646 1.805 -5.684 1.00 52.00 C ATOM 952 CG1 ILE A 61 6.169 2.163 -5.364 1.00 1.22 C ATOM 953 CG2 ILE A 61 8.429 3.081 -6.049 1.00 13.51 C ATOM 954 CD1 ILE A 61 5.969 2.894 -4.048 1.00 33.03 C ATOM 0 H ILE A 61 6.643 -0.539 -5.525 1.00 51.11 H new ATOM 0 HA ILE A 61 7.331 1.161 -7.744 1.00 63.14 H new ATOM 0 HB ILE A 61 8.106 1.369 -4.797 1.00 52.00 H new ATOM 0 HG12 ILE A 61 5.775 2.780 -6.171 1.00 1.22 H new ATOM 0 HG13 ILE A 61 5.581 1.245 -5.348 1.00 1.22 H new ATOM 0 HG21 ILE A 61 8.349 3.802 -5.236 1.00 13.51 H new ATOM 0 HG22 ILE A 61 9.478 2.831 -6.210 1.00 13.51 H new ATOM 0 HG23 ILE A 61 8.015 3.514 -6.960 1.00 13.51 H new ATOM 0 HD11 ILE A 61 4.909 3.104 -3.906 1.00 33.03 H new ATOM 0 HD12 ILE A 61 6.329 2.272 -3.228 1.00 33.03 H new ATOM 0 HD13 ILE A 61 6.526 3.831 -4.064 1.00 33.03 H new ATOM 966 N MET A 62 9.672 -0.768 -6.404 1.00 32.11 N ATOM 967 CA MET A 62 11.063 -1.265 -6.538 1.00 62.54 C ATOM 968 C MET A 62 11.257 -2.143 -7.795 1.00 60.45 C ATOM 969 O MET A 62 12.277 -2.016 -8.482 1.00 2.44 O ATOM 970 CB MET A 62 11.464 -2.056 -5.267 1.00 63.24 C ATOM 971 CG MET A 62 12.934 -2.512 -5.211 1.00 74.01 C ATOM 972 SD MET A 62 13.167 -4.256 -5.647 1.00 64.53 S ATOM 973 CE MET A 62 14.652 -4.667 -4.730 1.00 4.53 C ATOM 0 H MET A 62 9.101 -1.314 -5.759 1.00 32.11 H new ATOM 0 HA MET A 62 11.710 -0.396 -6.652 1.00 62.54 H new ATOM 0 HB2 MET A 62 11.260 -1.436 -4.394 1.00 63.24 H new ATOM 0 HB3 MET A 62 10.825 -2.936 -5.190 1.00 63.24 H new ATOM 0 HG2 MET A 62 13.524 -1.894 -5.888 1.00 74.01 H new ATOM 0 HG3 MET A 62 13.321 -2.342 -4.206 1.00 74.01 H new ATOM 0 HE1 MET A 62 14.911 -5.711 -4.906 1.00 4.53 H new ATOM 0 HE2 MET A 62 15.472 -4.029 -5.060 1.00 4.53 H new ATOM 0 HE3 MET A 62 14.477 -4.511 -3.665 1.00 4.53 H new ATOM 983 N THR A 63 10.297 -3.048 -8.073 1.00 43.33 N ATOM 984 CA THR A 63 10.385 -3.968 -9.232 1.00 52.33 C ATOM 985 C THR A 63 10.218 -3.253 -10.596 1.00 44.03 C ATOM 986 O THR A 63 10.851 -3.657 -11.576 1.00 40.14 O ATOM 987 CB THR A 63 9.365 -5.126 -9.091 1.00 3.41 C ATOM 988 OG1 THR A 63 9.592 -6.118 -10.081 1.00 52.13 O ATOM 989 CG2 THR A 63 7.901 -4.709 -9.190 1.00 60.45 C ATOM 0 H THR A 63 9.452 -3.164 -7.514 1.00 43.33 H new ATOM 0 HA THR A 63 11.395 -4.378 -9.223 1.00 52.33 H new ATOM 0 HB THR A 63 9.532 -5.506 -8.083 1.00 3.41 H new ATOM 0 HG1 THR A 63 8.939 -6.841 -9.975 1.00 52.13 H new ATOM 0 HG21 THR A 63 7.264 -5.587 -9.080 1.00 60.45 H new ATOM 0 HG22 THR A 63 7.672 -3.993 -8.400 1.00 60.45 H new ATOM 0 HG23 THR A 63 7.719 -4.249 -10.161 1.00 60.45 H new ATOM 997 N LYS A 64 9.370 -2.204 -10.656 1.00 33.44 N ATOM 998 CA LYS A 64 9.131 -1.456 -11.912 1.00 33.44 C ATOM 999 C LYS A 64 10.144 -0.301 -12.132 1.00 61.12 C ATOM 1000 O LYS A 64 10.110 0.341 -13.188 1.00 32.23 O ATOM 1001 CB LYS A 64 7.674 -0.914 -11.950 1.00 40.12 C ATOM 1002 CG LYS A 64 6.773 -1.581 -13.003 1.00 12.13 C ATOM 1003 CD LYS A 64 6.242 -2.956 -12.560 1.00 13.02 C ATOM 1004 CE LYS A 64 7.132 -4.109 -13.030 1.00 21.41 C ATOM 1005 NZ LYS A 64 6.491 -5.442 -12.820 1.00 14.32 N1+ ATOM 0 H LYS A 64 8.842 -1.856 -9.856 1.00 33.44 H new ATOM 0 HA LYS A 64 9.278 -2.161 -12.730 1.00 33.44 H new ATOM 0 HB2 LYS A 64 7.224 -1.049 -10.967 1.00 40.12 H new ATOM 0 HB3 LYS A 64 7.704 0.159 -12.142 1.00 40.12 H new ATOM 0 HG2 LYS A 64 5.930 -0.925 -13.219 1.00 12.13 H new ATOM 0 HG3 LYS A 64 7.333 -1.696 -13.931 1.00 12.13 H new ATOM 0 HD2 LYS A 64 6.167 -2.979 -11.473 1.00 13.02 H new ATOM 0 HD3 LYS A 64 5.235 -3.096 -12.952 1.00 13.02 H new ATOM 0 HE2 LYS A 64 7.360 -3.981 -14.088 1.00 21.41 H new ATOM 0 HE3 LYS A 64 8.080 -4.076 -12.493 1.00 21.41 H new ATOM 0 HZ1 LYS A 64 7.131 -6.191 -13.153 1.00 14.32 H new ATOM 0 HZ2 LYS A 64 6.296 -5.578 -11.807 1.00 14.32 H new ATOM 0 HZ3 LYS A 64 5.599 -5.486 -13.353 1.00 14.32 H new ATOM 1019 N ARG A 65 11.043 -0.040 -11.143 1.00 71.13 N ATOM 1020 CA ARG A 65 12.066 1.031 -11.227 1.00 52.33 C ATOM 1021 C ARG A 65 11.413 2.427 -11.325 1.00 44.21 C ATOM 1022 O ARG A 65 11.173 2.934 -12.427 1.00 62.25 O ATOM 1023 CB ARG A 65 13.043 0.799 -12.408 1.00 14.13 C ATOM 1024 CG ARG A 65 13.873 -0.480 -12.285 1.00 33.03 C ATOM 1025 CD ARG A 65 14.721 -0.758 -13.533 1.00 61.45 C ATOM 1026 NE ARG A 65 16.167 -0.672 -13.258 1.00 64.44 N ATOM 1027 CZ ARG A 65 16.925 0.448 -13.345 1.00 14.34 C ATOM 1028 NH1 ARG A 65 16.397 1.636 -13.682 1.00 34.12 N1+ ATOM 1029 NH2 ARG A 65 18.230 0.372 -13.076 1.00 53.03 N ATOM 0 H ARG A 65 11.076 -0.566 -10.270 1.00 71.13 H new ATOM 0 HA ARG A 65 12.645 0.992 -10.304 1.00 52.33 H new ATOM 0 HB2 ARG A 65 12.473 0.762 -13.336 1.00 14.13 H new ATOM 0 HB3 ARG A 65 13.717 1.652 -12.482 1.00 14.13 H new ATOM 0 HG2 ARG A 65 14.527 -0.402 -11.416 1.00 33.03 H new ATOM 0 HG3 ARG A 65 13.207 -1.325 -12.108 1.00 33.03 H new ATOM 0 HD2 ARG A 65 14.485 -1.751 -13.916 1.00 61.45 H new ATOM 0 HD3 ARG A 65 14.459 -0.044 -14.314 1.00 61.45 H new ATOM 0 HE ARG A 65 16.639 -1.532 -12.977 1.00 64.44 H new ATOM 0 HH11 ARG A 65 15.400 1.713 -13.881 1.00 34.12 H new ATOM 0 HH12 ARG A 65 16.993 2.461 -13.739 1.00 34.12 H new ATOM 0 HH21 ARG A 65 18.645 -0.521 -12.809 1.00 53.03 H new ATOM 0 HH22 ARG A 65 18.813 1.207 -13.137 1.00 53.03 H new ATOM 1043 N LEU A 66 11.120 3.031 -10.157 1.00 63.44 N ATOM 1044 CA LEU A 66 10.483 4.366 -10.078 1.00 63.12 C ATOM 1045 C LEU A 66 11.362 5.368 -9.301 1.00 64.22 C ATOM 1046 O LEU A 66 11.468 6.532 -9.704 1.00 13.14 O ATOM 1047 CB LEU A 66 9.086 4.251 -9.418 1.00 14.42 C ATOM 1048 CG LEU A 66 7.882 4.163 -10.387 1.00 73.13 C ATOM 1049 CD1 LEU A 66 7.853 2.821 -11.127 1.00 52.41 C ATOM 1050 CD2 LEU A 66 6.566 4.396 -9.638 1.00 61.23 C ATOM 0 H LEU A 66 11.315 2.614 -9.247 1.00 63.44 H new ATOM 0 HA LEU A 66 10.369 4.744 -11.094 1.00 63.12 H new ATOM 0 HB2 LEU A 66 9.079 3.367 -8.781 1.00 14.42 H new ATOM 0 HB3 LEU A 66 8.941 5.114 -8.768 1.00 14.42 H new ATOM 0 HG LEU A 66 8.000 4.949 -11.133 1.00 73.13 H new ATOM 0 HD11 LEU A 66 6.995 2.794 -11.798 1.00 52.41 H new ATOM 0 HD12 LEU A 66 8.770 2.704 -11.705 1.00 52.41 H new ATOM 0 HD13 LEU A 66 7.774 2.009 -10.404 1.00 52.41 H new ATOM 0 HD21 LEU A 66 5.733 4.330 -10.337 1.00 61.23 H new ATOM 0 HD22 LEU A 66 6.450 3.639 -8.862 1.00 61.23 H new ATOM 0 HD23 LEU A 66 6.578 5.385 -9.180 1.00 61.23 H new ATOM 1062 N TYR A 67 11.981 4.913 -8.186 1.00 1.22 N ATOM 1063 CA TYR A 67 12.846 5.768 -7.346 1.00 14.21 C ATOM 1064 C TYR A 67 14.354 5.490 -7.606 1.00 64.33 C ATOM 1065 O TYR A 67 15.147 5.336 -6.670 1.00 20.31 O ATOM 1066 CB TYR A 67 12.452 5.616 -5.842 1.00 62.42 C ATOM 1067 CG TYR A 67 12.949 4.354 -5.122 1.00 33.31 C ATOM 1068 CD1 TYR A 67 12.431 3.091 -5.411 1.00 41.44 C ATOM 1069 CD2 TYR A 67 13.942 4.438 -4.143 1.00 1.25 C ATOM 1070 CE1 TYR A 67 12.888 1.962 -4.754 1.00 62.32 C ATOM 1071 CE2 TYR A 67 14.399 3.312 -3.486 1.00 41.24 C ATOM 1072 CZ TYR A 67 13.871 2.078 -3.794 1.00 71.01 C ATOM 1073 OH TYR A 67 14.327 0.954 -3.142 1.00 20.11 O ATOM 0 H TYR A 67 11.895 3.954 -7.848 1.00 1.22 H new ATOM 0 HA TYR A 67 12.685 6.810 -7.623 1.00 14.21 H new ATOM 0 HB2 TYR A 67 12.828 6.485 -5.303 1.00 62.42 H new ATOM 0 HB3 TYR A 67 11.365 5.642 -5.771 1.00 62.42 H new ATOM 0 HD1 TYR A 67 11.660 2.993 -6.161 1.00 41.44 H new ATOM 0 HD2 TYR A 67 14.361 5.402 -3.895 1.00 1.25 H new ATOM 0 HE1 TYR A 67 12.476 0.993 -4.993 1.00 62.32 H new ATOM 0 HE2 TYR A 67 15.168 3.399 -2.733 1.00 41.24 H new ATOM 0 HH TYR A 67 15.020 1.208 -2.497 1.00 20.11 H new ATOM 1184 N ILE A 74 12.651 13.017 -4.940 1.00 42.30 N ATOM 1185 CA ILE A 74 11.266 12.864 -5.426 1.00 53.44 C ATOM 1186 C ILE A 74 11.170 11.744 -6.496 1.00 53.02 C ATOM 1187 O ILE A 74 12.091 11.575 -7.301 1.00 24.20 O ATOM 1188 CB ILE A 74 10.720 14.230 -5.973 1.00 13.50 C ATOM 1189 CG1 ILE A 74 9.186 14.171 -6.179 1.00 13.31 C ATOM 1190 CG2 ILE A 74 11.446 14.665 -7.260 1.00 22.42 C ATOM 1191 CD1 ILE A 74 8.513 15.530 -6.276 1.00 53.12 C ATOM 0 HA ILE A 74 10.639 12.565 -4.586 1.00 53.44 H new ATOM 0 HB ILE A 74 10.928 14.990 -5.220 1.00 13.50 H new ATOM 0 HG12 ILE A 74 8.975 13.609 -7.089 1.00 13.31 H new ATOM 0 HG13 ILE A 74 8.742 13.617 -5.352 1.00 13.31 H new ATOM 0 HG21 ILE A 74 11.038 15.615 -7.605 1.00 22.42 H new ATOM 0 HG22 ILE A 74 12.510 14.780 -7.056 1.00 22.42 H new ATOM 0 HG23 ILE A 74 11.304 13.908 -8.031 1.00 22.42 H new ATOM 0 HD11 ILE A 74 7.441 15.396 -6.420 1.00 53.12 H new ATOM 0 HD12 ILE A 74 8.689 16.089 -5.357 1.00 53.12 H new ATOM 0 HD13 ILE A 74 8.926 16.081 -7.121 1.00 53.12 H new ATOM 1203 N VAL A 75 10.048 10.986 -6.487 1.00 14.22 N ATOM 1204 CA VAL A 75 9.823 9.877 -7.447 1.00 2.24 C ATOM 1205 C VAL A 75 8.952 10.330 -8.641 1.00 41.34 C ATOM 1206 O VAL A 75 8.377 11.422 -8.613 1.00 54.45 O ATOM 1207 CB VAL A 75 9.187 8.616 -6.755 1.00 62.53 C ATOM 1208 CG1 VAL A 75 10.042 8.150 -5.573 1.00 31.44 C ATOM 1209 CG2 VAL A 75 7.734 8.858 -6.308 1.00 54.31 C ATOM 0 H VAL A 75 9.284 11.122 -5.825 1.00 14.22 H new ATOM 0 HA VAL A 75 10.804 9.590 -7.825 1.00 2.24 H new ATOM 0 HB VAL A 75 9.164 7.826 -7.506 1.00 62.53 H new ATOM 0 HG11 VAL A 75 9.580 7.277 -5.112 1.00 31.44 H new ATOM 0 HG12 VAL A 75 11.040 7.889 -5.926 1.00 31.44 H new ATOM 0 HG13 VAL A 75 10.115 8.952 -4.838 1.00 31.44 H new ATOM 0 HG21 VAL A 75 7.343 7.956 -5.837 1.00 54.31 H new ATOM 0 HG22 VAL A 75 7.705 9.682 -5.595 1.00 54.31 H new ATOM 0 HG23 VAL A 75 7.123 9.108 -7.176 1.00 54.31 H new ATOM 1219 N TYR A 76 8.868 9.477 -9.687 1.00 23.00 N ATOM 1220 CA TYR A 76 8.076 9.772 -10.902 1.00 21.15 C ATOM 1221 C TYR A 76 7.062 8.648 -11.199 1.00 3.41 C ATOM 1222 O TYR A 76 7.258 7.503 -10.779 1.00 51.34 O ATOM 1223 CB TYR A 76 9.013 9.971 -12.109 1.00 31.33 C ATOM 1224 CG TYR A 76 9.896 11.210 -12.005 1.00 25.13 C ATOM 1225 CD1 TYR A 76 9.438 12.457 -12.426 1.00 55.45 C ATOM 1226 CD2 TYR A 76 11.188 11.132 -11.483 1.00 3.41 C ATOM 1227 CE1 TYR A 76 10.235 13.581 -12.330 1.00 1.44 C ATOM 1228 CE2 TYR A 76 11.989 12.254 -11.385 1.00 24.11 C ATOM 1229 CZ TYR A 76 11.509 13.476 -11.810 1.00 42.32 C ATOM 1230 OH TYR A 76 12.309 14.595 -11.718 1.00 4.12 O ATOM 0 H TYR A 76 9.342 8.574 -9.713 1.00 23.00 H new ATOM 0 HA TYR A 76 7.517 10.691 -10.724 1.00 21.15 H new ATOM 0 HB2 TYR A 76 9.648 9.091 -12.213 1.00 31.33 H new ATOM 0 HB3 TYR A 76 8.412 10.039 -13.016 1.00 31.33 H new ATOM 0 HD1 TYR A 76 8.442 12.546 -12.835 1.00 55.45 H new ATOM 0 HD2 TYR A 76 11.569 10.178 -11.150 1.00 3.41 H new ATOM 0 HE1 TYR A 76 9.862 14.539 -12.661 1.00 1.44 H new ATOM 0 HE2 TYR A 76 12.986 12.175 -10.978 1.00 24.11 H new ATOM 0 HH TYR A 76 13.174 14.348 -11.329 1.00 4.12 H new ATOM 1240 N CYS A 77 5.978 8.994 -11.931 1.00 2.53 N ATOM 1241 CA CYS A 77 4.914 8.038 -12.301 1.00 33.41 C ATOM 1242 C CYS A 77 4.701 8.024 -13.828 1.00 70.44 C ATOM 1243 O CYS A 77 4.493 9.082 -14.434 1.00 63.01 O ATOM 1244 CB CYS A 77 3.605 8.416 -11.580 1.00 33.41 C ATOM 1245 SG CYS A 77 2.311 7.150 -11.620 1.00 25.12 S ATOM 0 H CYS A 77 5.819 9.939 -12.279 1.00 2.53 H new ATOM 0 HA CYS A 77 5.217 7.037 -11.993 1.00 33.41 H new ATOM 0 HB2 CYS A 77 3.835 8.645 -10.539 1.00 33.41 H new ATOM 0 HB3 CYS A 77 3.212 9.329 -12.028 1.00 33.41 H new ATOM 0 HG CYS A 77 2.623 6.238 -12.492 1.00 25.12 H new ATOM 1251 N SER A 78 4.754 6.821 -14.445 1.00 33.32 N ATOM 1252 CA SER A 78 4.568 6.677 -15.904 1.00 64.22 C ATOM 1253 C SER A 78 4.090 5.260 -16.289 1.00 50.44 C ATOM 1254 O SER A 78 4.756 4.269 -15.969 1.00 60.25 O ATOM 1255 CB SER A 78 5.880 7.007 -16.638 1.00 61.40 C ATOM 1256 OG SER A 78 5.670 7.142 -18.036 1.00 11.11 O ATOM 0 H SER A 78 4.923 5.942 -13.957 1.00 33.32 H new ATOM 0 HA SER A 78 3.792 7.380 -16.207 1.00 64.22 H new ATOM 0 HB2 SER A 78 6.299 7.931 -16.240 1.00 61.40 H new ATOM 0 HB3 SER A 78 6.611 6.220 -16.452 1.00 61.40 H new ATOM 0 HG SER A 78 6.520 7.353 -18.476 1.00 11.11 H new ATOM 1262 N ASN A 79 2.933 5.185 -16.996 1.00 32.35 N ATOM 1263 CA ASN A 79 2.328 3.912 -17.465 1.00 32.22 C ATOM 1264 C ASN A 79 2.078 2.916 -16.307 1.00 25.44 C ATOM 1265 O ASN A 79 2.657 1.824 -16.271 1.00 43.23 O ATOM 1266 CB ASN A 79 3.193 3.266 -18.575 1.00 43.21 C ATOM 1267 CG ASN A 79 3.220 4.086 -19.864 1.00 62.22 C ATOM 1268 OD1 ASN A 79 2.227 4.149 -20.590 1.00 54.03 O ATOM 1269 ND2 ASN A 79 4.358 4.719 -20.158 1.00 65.13 N ATOM 0 H ASN A 79 2.392 6.009 -17.257 1.00 32.35 H new ATOM 0 HA ASN A 79 1.353 4.159 -17.886 1.00 32.22 H new ATOM 0 HB2 ASN A 79 4.212 3.142 -18.208 1.00 43.21 H new ATOM 0 HB3 ASN A 79 2.810 2.269 -18.793 1.00 43.21 H new ATOM 0 HD21 ASN A 79 4.426 5.278 -21.008 1.00 65.13 H new ATOM 0 HD22 ASN A 79 5.160 4.643 -19.532 1.00 65.13 H new ATOM 1276 N ASP A 80 1.201 3.308 -15.361 1.00 74.12 N ATOM 1277 CA ASP A 80 0.855 2.462 -14.196 1.00 63.24 C ATOM 1278 C ASP A 80 -0.405 2.995 -13.478 1.00 23.52 C ATOM 1279 O ASP A 80 -0.929 4.052 -13.849 1.00 42.25 O ATOM 1280 CB ASP A 80 2.058 2.337 -13.216 1.00 2.44 C ATOM 1281 CG ASP A 80 2.618 3.670 -12.726 1.00 21.31 C ATOM 1282 OD1 ASP A 80 2.943 4.531 -13.568 1.00 21.54 O ATOM 1283 OD2 ASP A 80 2.746 3.841 -11.497 1.00 42.42 O1- ATOM 0 H ASP A 80 0.718 4.206 -15.379 1.00 74.12 H new ATOM 0 HA ASP A 80 0.627 1.462 -14.564 1.00 63.24 H new ATOM 0 HB2 ASP A 80 1.747 1.749 -12.353 1.00 2.44 H new ATOM 0 HB3 ASP A 80 2.856 1.782 -13.709 1.00 2.44 H new ATOM 1288 N LEU A 81 -0.887 2.257 -12.453 1.00 73.13 N ATOM 1289 CA LEU A 81 -2.089 2.654 -11.687 1.00 24.32 C ATOM 1290 C LEU A 81 -1.743 3.230 -10.289 1.00 42.24 C ATOM 1291 O LEU A 81 -2.608 3.276 -9.410 1.00 73.44 O ATOM 1292 CB LEU A 81 -3.116 1.477 -11.579 1.00 23.31 C ATOM 1293 CG LEU A 81 -2.623 0.051 -11.171 1.00 25.10 C ATOM 1294 CD1 LEU A 81 -2.076 -0.737 -12.368 1.00 0.51 C ATOM 1295 CD2 LEU A 81 -1.609 0.081 -10.020 1.00 43.22 C ATOM 0 H LEU A 81 -0.463 1.385 -12.138 1.00 73.13 H new ATOM 0 HA LEU A 81 -2.561 3.460 -12.249 1.00 24.32 H new ATOM 0 HB2 LEU A 81 -3.878 1.776 -10.859 1.00 23.31 H new ATOM 0 HB3 LEU A 81 -3.609 1.386 -12.547 1.00 23.31 H new ATOM 0 HG LEU A 81 -3.505 -0.474 -10.805 1.00 25.10 H new ATOM 0 HD11 LEU A 81 -1.746 -1.721 -12.035 1.00 0.51 H new ATOM 0 HD12 LEU A 81 -2.860 -0.851 -13.117 1.00 0.51 H new ATOM 0 HD13 LEU A 81 -1.234 -0.199 -12.803 1.00 0.51 H new ATOM 0 HD21 LEU A 81 -1.302 -0.937 -9.779 1.00 43.22 H new ATOM 0 HD22 LEU A 81 -0.737 0.662 -10.319 1.00 43.22 H new ATOM 0 HD23 LEU A 81 -2.067 0.539 -9.143 1.00 43.22 H new ATOM 1307 N LEU A 82 -0.485 3.694 -10.097 1.00 63.31 N ATOM 1308 CA LEU A 82 -0.043 4.285 -8.813 1.00 15.12 C ATOM 1309 C LEU A 82 -0.670 5.684 -8.602 1.00 4.35 C ATOM 1310 O LEU A 82 -1.015 6.045 -7.471 1.00 34.25 O ATOM 1311 CB LEU A 82 1.512 4.356 -8.765 1.00 52.43 C ATOM 1312 CG LEU A 82 2.203 4.343 -7.373 1.00 41.44 C ATOM 1313 CD1 LEU A 82 1.852 5.577 -6.543 1.00 32.11 C ATOM 1314 CD2 LEU A 82 1.889 3.057 -6.599 1.00 42.25 C ATOM 0 H LEU A 82 0.240 3.670 -10.814 1.00 63.31 H new ATOM 0 HA LEU A 82 -0.386 3.645 -8.000 1.00 15.12 H new ATOM 0 HB2 LEU A 82 1.902 3.515 -9.339 1.00 52.43 H new ATOM 0 HB3 LEU A 82 1.820 5.265 -9.282 1.00 52.43 H new ATOM 0 HG LEU A 82 3.277 4.371 -7.559 1.00 41.44 H new ATOM 0 HD11 LEU A 82 2.358 5.523 -5.579 1.00 32.11 H new ATOM 0 HD12 LEU A 82 2.173 6.474 -7.072 1.00 32.11 H new ATOM 0 HD13 LEU A 82 0.774 5.615 -6.385 1.00 32.11 H new ATOM 0 HD21 LEU A 82 2.389 3.084 -5.631 1.00 42.25 H new ATOM 0 HD22 LEU A 82 0.812 2.976 -6.449 1.00 42.25 H new ATOM 0 HD23 LEU A 82 2.242 2.196 -7.166 1.00 42.25 H new ATOM 1326 N GLY A 83 -0.828 6.460 -9.699 1.00 34.41 N ATOM 1327 CA GLY A 83 -1.420 7.802 -9.621 1.00 43.20 C ATOM 1328 C GLY A 83 -2.958 7.826 -9.535 1.00 44.15 C ATOM 1329 O GLY A 83 -3.540 8.914 -9.484 1.00 62.24 O ATOM 0 H GLY A 83 -0.554 6.176 -10.640 1.00 34.41 H new ATOM 0 HA2 GLY A 83 -1.013 8.313 -8.748 1.00 43.20 H new ATOM 0 HA3 GLY A 83 -1.110 8.372 -10.497 1.00 43.20 H new ATOM 1333 N ASP A 84 -3.620 6.644 -9.518 1.00 4.31 N ATOM 1334 CA ASP A 84 -5.095 6.560 -9.437 1.00 44.22 C ATOM 1335 C ASP A 84 -5.586 6.507 -7.974 1.00 41.32 C ATOM 1336 O ASP A 84 -6.621 7.100 -7.652 1.00 21.02 O ATOM 1337 CB ASP A 84 -5.605 5.330 -10.221 1.00 42.41 C ATOM 1338 CG ASP A 84 -7.068 5.448 -10.628 1.00 0.12 C ATOM 1339 OD1 ASP A 84 -7.340 5.997 -11.716 1.00 43.31 O1- ATOM 1340 OD2 ASP A 84 -7.938 4.995 -9.854 1.00 51.04 O ATOM 0 H ASP A 84 -3.155 5.737 -9.559 1.00 4.31 H new ATOM 0 HA ASP A 84 -5.503 7.465 -9.888 1.00 44.22 H new ATOM 0 HB2 ASP A 84 -4.995 5.197 -11.114 1.00 42.41 H new ATOM 0 HB3 ASP A 84 -5.475 4.437 -9.610 1.00 42.41 H new ATOM 1345 N LEU A 85 -4.841 5.801 -7.091 1.00 33.15 N ATOM 1346 CA LEU A 85 -5.213 5.680 -5.659 1.00 22.24 C ATOM 1347 C LEU A 85 -4.771 6.914 -4.848 1.00 74.14 C ATOM 1348 O LEU A 85 -5.554 7.429 -4.043 1.00 13.25 O ATOM 1349 CB LEU A 85 -4.656 4.384 -5.003 1.00 22.22 C ATOM 1350 CG LEU A 85 -3.208 3.955 -5.390 1.00 20.23 C ATOM 1351 CD1 LEU A 85 -2.426 3.445 -4.174 1.00 11.42 C ATOM 1352 CD2 LEU A 85 -3.230 2.892 -6.494 1.00 43.20 C ATOM 0 H LEU A 85 -3.984 5.309 -7.342 1.00 33.15 H new ATOM 0 HA LEU A 85 -6.301 5.620 -5.639 1.00 22.24 H new ATOM 0 HB2 LEU A 85 -4.693 4.510 -3.921 1.00 22.22 H new ATOM 0 HB3 LEU A 85 -5.329 3.563 -5.251 1.00 22.22 H new ATOM 0 HG LEU A 85 -2.697 4.840 -5.769 1.00 20.23 H new ATOM 0 HD11 LEU A 85 -1.422 3.155 -4.483 1.00 11.42 H new ATOM 0 HD12 LEU A 85 -2.362 4.235 -3.425 1.00 11.42 H new ATOM 0 HD13 LEU A 85 -2.938 2.582 -3.748 1.00 11.42 H new ATOM 0 HD21 LEU A 85 -2.208 2.609 -6.747 1.00 43.20 H new ATOM 0 HD22 LEU A 85 -3.774 2.015 -6.144 1.00 43.20 H new ATOM 0 HD23 LEU A 85 -3.724 3.296 -7.378 1.00 43.20 H new ATOM 1364 N PHE A 86 -3.528 7.392 -5.069 1.00 62.22 N ATOM 1365 CA PHE A 86 -3.005 8.577 -4.359 1.00 34.23 C ATOM 1366 C PHE A 86 -3.514 9.873 -5.007 1.00 14.10 C ATOM 1367 O PHE A 86 -4.035 10.750 -4.311 1.00 41.01 O ATOM 1368 CB PHE A 86 -1.456 8.589 -4.339 1.00 53.03 C ATOM 1369 CG PHE A 86 -0.774 7.480 -3.546 1.00 13.23 C ATOM 1370 CD1 PHE A 86 -1.421 6.775 -2.528 1.00 71.04 C ATOM 1371 CD2 PHE A 86 0.549 7.158 -3.824 1.00 70.14 C ATOM 1372 CE1 PHE A 86 -0.763 5.787 -1.823 1.00 4.35 C ATOM 1373 CE2 PHE A 86 1.206 6.171 -3.120 1.00 33.01 C ATOM 1374 CZ PHE A 86 0.551 5.485 -2.118 1.00 44.34 C ATOM 0 H PHE A 86 -2.871 6.977 -5.730 1.00 62.22 H new ATOM 0 HA PHE A 86 -3.368 8.520 -3.333 1.00 34.23 H new ATOM 0 HB2 PHE A 86 -1.102 8.539 -5.369 1.00 53.03 H new ATOM 0 HB3 PHE A 86 -1.128 9.547 -3.936 1.00 53.03 H new ATOM 0 HD1 PHE A 86 -2.449 7.006 -2.290 1.00 71.04 H new ATOM 0 HD2 PHE A 86 1.072 7.690 -4.605 1.00 70.14 H new ATOM 0 HE1 PHE A 86 -1.277 5.250 -1.040 1.00 4.35 H new ATOM 0 HE2 PHE A 86 2.234 5.935 -3.353 1.00 33.01 H new ATOM 0 HZ PHE A 86 1.066 4.713 -1.565 1.00 44.34 H new ATOM 1384 N GLY A 87 -3.354 9.982 -6.344 1.00 71.44 N ATOM 1385 CA GLY A 87 -3.792 11.166 -7.081 1.00 23.13 C ATOM 1386 C GLY A 87 -2.700 12.224 -7.205 1.00 41.22 C ATOM 1387 O GLY A 87 -2.959 13.407 -6.968 1.00 60.41 O ATOM 0 H GLY A 87 -2.925 9.262 -6.925 1.00 71.44 H new ATOM 0 HA2 GLY A 87 -4.117 10.868 -8.078 1.00 23.13 H new ATOM 0 HA3 GLY A 87 -4.657 11.601 -6.580 1.00 23.13 H new ATOM 1391 N VAL A 88 -1.475 11.797 -7.575 1.00 15.42 N ATOM 1392 CA VAL A 88 -0.329 12.717 -7.727 1.00 21.32 C ATOM 1393 C VAL A 88 0.788 12.070 -8.595 1.00 45.22 C ATOM 1394 O VAL A 88 1.166 10.920 -8.344 1.00 0.52 O ATOM 1395 CB VAL A 88 0.230 13.170 -6.325 1.00 64.33 C ATOM 1396 CG1 VAL A 88 0.722 11.985 -5.483 1.00 31.43 C ATOM 1397 CG2 VAL A 88 1.323 14.240 -6.460 1.00 42.33 C ATOM 0 H VAL A 88 -1.254 10.821 -7.774 1.00 15.42 H new ATOM 0 HA VAL A 88 -0.682 13.610 -8.243 1.00 21.32 H new ATOM 0 HB VAL A 88 -0.609 13.619 -5.794 1.00 64.33 H new ATOM 0 HG11 VAL A 88 1.097 12.349 -4.527 1.00 31.43 H new ATOM 0 HG12 VAL A 88 -0.103 11.294 -5.310 1.00 31.43 H new ATOM 0 HG13 VAL A 88 1.522 11.469 -6.014 1.00 31.43 H new ATOM 0 HG21 VAL A 88 1.680 14.523 -5.470 1.00 42.33 H new ATOM 0 HG22 VAL A 88 2.152 13.841 -7.044 1.00 42.33 H new ATOM 0 HG23 VAL A 88 0.914 15.117 -6.962 1.00 42.33 H new ATOM 1407 N PRO A 89 1.322 12.786 -9.638 1.00 53.30 N ATOM 1408 CA PRO A 89 2.379 12.239 -10.523 1.00 11.25 C ATOM 1409 C PRO A 89 3.758 12.091 -9.836 1.00 24.50 C ATOM 1410 O PRO A 89 4.488 11.136 -10.123 1.00 64.40 O ATOM 1411 CB PRO A 89 2.438 13.257 -11.677 1.00 75.34 C ATOM 1412 CG PRO A 89 1.943 14.537 -11.095 1.00 21.24 C ATOM 1413 CD PRO A 89 0.929 14.160 -10.052 1.00 62.35 C ATOM 0 HA PRO A 89 2.143 11.223 -10.840 1.00 11.25 H new ATOM 0 HB2 PRO A 89 3.454 13.364 -12.056 1.00 75.34 H new ATOM 0 HB3 PRO A 89 1.817 12.939 -12.515 1.00 75.34 H new ATOM 0 HG2 PRO A 89 2.761 15.106 -10.654 1.00 21.24 H new ATOM 0 HG3 PRO A 89 1.495 15.166 -11.864 1.00 21.24 H new ATOM 0 HD2 PRO A 89 0.950 14.851 -9.209 1.00 62.35 H new ATOM 0 HD3 PRO A 89 -0.083 14.180 -10.456 1.00 62.35 H new ATOM 1421 N SER A 90 4.107 13.040 -8.939 1.00 41.42 N ATOM 1422 CA SER A 90 5.392 13.027 -8.219 1.00 53.23 C ATOM 1423 C SER A 90 5.184 13.293 -6.716 1.00 52.11 C ATOM 1424 O SER A 90 4.567 14.296 -6.338 1.00 25.42 O ATOM 1425 CB SER A 90 6.340 14.072 -8.830 1.00 54.23 C ATOM 1426 OG SER A 90 5.797 15.383 -8.741 1.00 1.21 O ATOM 0 H SER A 90 3.508 13.830 -8.698 1.00 41.42 H new ATOM 0 HA SER A 90 5.840 12.039 -8.322 1.00 53.23 H new ATOM 0 HB2 SER A 90 7.300 14.039 -8.315 1.00 54.23 H new ATOM 0 HB3 SER A 90 6.530 13.826 -9.875 1.00 54.23 H new ATOM 0 HG SER A 90 5.205 15.440 -7.962 1.00 1.21 H new ATOM 1432 N PHE A 91 5.696 12.378 -5.867 1.00 61.14 N ATOM 1433 CA PHE A 91 5.569 12.486 -4.401 1.00 15.34 C ATOM 1434 C PHE A 91 6.892 12.125 -3.694 1.00 52.13 C ATOM 1435 O PHE A 91 7.813 11.597 -4.323 1.00 65.14 O ATOM 1436 CB PHE A 91 4.402 11.595 -3.896 1.00 71.20 C ATOM 1437 CG PHE A 91 4.523 10.117 -4.231 1.00 64.12 C ATOM 1438 CD1 PHE A 91 4.021 9.614 -5.427 1.00 15.30 C ATOM 1439 CD2 PHE A 91 5.136 9.234 -3.349 1.00 42.34 C ATOM 1440 CE1 PHE A 91 4.130 8.270 -5.732 1.00 54.54 C ATOM 1441 CE2 PHE A 91 5.247 7.891 -3.651 1.00 21.00 C ATOM 1442 CZ PHE A 91 4.743 7.408 -4.844 1.00 31.30 C ATOM 0 H PHE A 91 6.205 11.550 -6.176 1.00 61.14 H new ATOM 0 HA PHE A 91 5.343 13.523 -4.154 1.00 15.34 H new ATOM 0 HB2 PHE A 91 4.328 11.701 -2.814 1.00 71.20 H new ATOM 0 HB3 PHE A 91 3.470 11.971 -4.318 1.00 71.20 H new ATOM 0 HD1 PHE A 91 3.540 10.282 -6.126 1.00 15.30 H new ATOM 0 HD2 PHE A 91 5.531 9.604 -2.414 1.00 42.34 H new ATOM 0 HE1 PHE A 91 3.736 7.894 -6.665 1.00 54.54 H new ATOM 0 HE2 PHE A 91 5.727 7.219 -2.956 1.00 21.00 H new ATOM 0 HZ PHE A 91 4.828 6.358 -5.081 1.00 31.30 H new ATOM 1452 N SER A 92 6.971 12.416 -2.381 1.00 3.22 N ATOM 1453 CA SER A 92 8.170 12.125 -1.579 1.00 32.25 C ATOM 1454 C SER A 92 8.052 10.744 -0.914 1.00 61.33 C ATOM 1455 O SER A 92 7.009 10.415 -0.335 1.00 42.12 O ATOM 1456 CB SER A 92 8.389 13.212 -0.512 1.00 30.52 C ATOM 1457 OG SER A 92 8.693 14.463 -1.111 1.00 54.44 O ATOM 0 H SER A 92 6.215 12.854 -1.854 1.00 3.22 H new ATOM 0 HA SER A 92 9.031 12.118 -2.247 1.00 32.25 H new ATOM 0 HB2 SER A 92 7.494 13.308 0.103 1.00 30.52 H new ATOM 0 HB3 SER A 92 9.202 12.916 0.152 1.00 30.52 H new ATOM 0 HG SER A 92 8.357 15.188 -0.543 1.00 54.44 H new ATOM 1463 N VAL A 93 9.131 9.942 -1.008 1.00 43.15 N ATOM 1464 CA VAL A 93 9.173 8.587 -0.422 1.00 62.42 C ATOM 1465 C VAL A 93 9.591 8.616 1.074 1.00 21.54 C ATOM 1466 O VAL A 93 9.198 7.727 1.836 1.00 22.24 O ATOM 1467 CB VAL A 93 10.102 7.627 -1.260 1.00 70.44 C ATOM 1468 CG1 VAL A 93 11.584 8.026 -1.191 1.00 33.20 C ATOM 1469 CG2 VAL A 93 9.912 6.160 -0.851 1.00 64.31 C ATOM 0 H VAL A 93 9.990 10.211 -1.487 1.00 43.15 H new ATOM 0 HA VAL A 93 8.160 8.187 -0.464 1.00 62.42 H new ATOM 0 HB VAL A 93 9.792 7.735 -2.299 1.00 70.44 H new ATOM 0 HG11 VAL A 93 12.176 7.331 -1.786 1.00 33.20 H new ATOM 0 HG12 VAL A 93 11.708 9.035 -1.583 1.00 33.20 H new ATOM 0 HG13 VAL A 93 11.921 7.995 -0.155 1.00 33.20 H new ATOM 0 HG21 VAL A 93 10.568 5.528 -1.449 1.00 64.31 H new ATOM 0 HG22 VAL A 93 10.158 6.042 0.204 1.00 64.31 H new ATOM 0 HG23 VAL A 93 8.875 5.867 -1.017 1.00 64.31 H new ATOM 1479 N LYS A 94 10.375 9.640 1.487 1.00 62.54 N ATOM 1480 CA LYS A 94 10.828 9.775 2.896 1.00 45.12 C ATOM 1481 C LYS A 94 9.739 10.383 3.809 1.00 32.14 C ATOM 1482 O LYS A 94 9.731 10.108 5.012 1.00 10.02 O ATOM 1483 CB LYS A 94 12.146 10.584 3.008 1.00 60.14 C ATOM 1484 CG LYS A 94 12.152 11.961 2.312 1.00 43.31 C ATOM 1485 CD LYS A 94 13.351 12.138 1.366 1.00 62.54 C ATOM 1486 CE LYS A 94 13.240 11.281 0.096 1.00 44.20 C ATOM 1487 NZ LYS A 94 14.572 10.895 -0.451 1.00 41.20 N1+ ATOM 0 H LYS A 94 10.706 10.382 0.870 1.00 62.54 H new ATOM 0 HA LYS A 94 11.024 8.762 3.247 1.00 45.12 H new ATOM 0 HB2 LYS A 94 12.371 10.731 4.064 1.00 60.14 H new ATOM 0 HB3 LYS A 94 12.955 9.984 2.591 1.00 60.14 H new ATOM 0 HG2 LYS A 94 11.227 12.083 1.748 1.00 43.31 H new ATOM 0 HG3 LYS A 94 12.171 12.746 3.068 1.00 43.31 H new ATOM 0 HD2 LYS A 94 13.434 13.188 1.084 1.00 62.54 H new ATOM 0 HD3 LYS A 94 14.267 11.877 1.896 1.00 62.54 H new ATOM 0 HE2 LYS A 94 12.667 10.381 0.318 1.00 44.20 H new ATOM 0 HE3 LYS A 94 12.685 11.832 -0.663 1.00 44.20 H new ATOM 0 HZ1 LYS A 94 14.442 10.318 -1.307 1.00 41.20 H new ATOM 0 HZ2 LYS A 94 15.111 11.752 -0.690 1.00 41.20 H new ATOM 0 HZ3 LYS A 94 15.094 10.345 0.261 1.00 41.20 H new ATOM 1501 N GLU A 95 8.809 11.184 3.236 1.00 71.31 N ATOM 1502 CA GLU A 95 7.707 11.788 4.013 1.00 71.02 C ATOM 1503 C GLU A 95 6.650 10.708 4.308 1.00 75.51 C ATOM 1504 O GLU A 95 5.704 10.514 3.538 1.00 3.04 O ATOM 1505 CB GLU A 95 7.094 12.989 3.257 1.00 72.53 C ATOM 1506 CG GLU A 95 8.032 14.191 3.149 1.00 64.43 C ATOM 1507 CD GLU A 95 7.345 15.444 2.632 1.00 13.14 C ATOM 1508 OE1 GLU A 95 7.140 15.547 1.404 1.00 35.31 O1- ATOM 1509 OE2 GLU A 95 7.013 16.323 3.455 1.00 53.31 O ATOM 0 H GLU A 95 8.802 11.424 2.245 1.00 71.31 H new ATOM 0 HA GLU A 95 8.094 12.170 4.958 1.00 71.02 H new ATOM 0 HB2 GLU A 95 6.811 12.669 2.254 1.00 72.53 H new ATOM 0 HB3 GLU A 95 6.180 13.297 3.764 1.00 72.53 H new ATOM 0 HG2 GLU A 95 8.461 14.398 4.130 1.00 64.43 H new ATOM 0 HG3 GLU A 95 8.860 13.939 2.486 1.00 64.43 H new ATOM 1516 N HIS A 96 6.862 9.974 5.418 1.00 2.43 N ATOM 1517 CA HIS A 96 5.982 8.856 5.834 1.00 32.33 C ATOM 1518 C HIS A 96 4.573 9.310 6.267 1.00 54.35 C ATOM 1519 O HIS A 96 3.619 8.538 6.146 1.00 72.00 O ATOM 1520 CB HIS A 96 6.635 8.037 6.975 1.00 34.33 C ATOM 1521 CG HIS A 96 8.092 7.713 6.760 1.00 23.12 C ATOM 1522 ND1 HIS A 96 9.103 8.237 7.544 1.00 74.34 N ATOM 1523 CD2 HIS A 96 8.707 6.927 5.839 1.00 23.11 C ATOM 1524 CE1 HIS A 96 10.271 7.787 7.115 1.00 1.31 C ATOM 1525 NE2 HIS A 96 10.056 6.991 6.085 1.00 13.23 N ATOM 0 H HIS A 96 7.645 10.136 6.052 1.00 2.43 H new ATOM 0 HA HIS A 96 5.860 8.232 4.949 1.00 32.33 H new ATOM 0 HB2 HIS A 96 6.533 8.592 7.907 1.00 34.33 H new ATOM 0 HB3 HIS A 96 6.083 7.105 7.097 1.00 34.33 H new ATOM 0 HD1 HIS A 96 8.969 8.872 8.331 1.00 74.34 H new ATOM 0 HD2 HIS A 96 8.225 6.358 5.058 1.00 23.11 H new ATOM 0 HE1 HIS A 96 11.235 8.030 7.536 1.00 1.31 H new ATOM 1534 N ARG A 97 4.449 10.546 6.787 1.00 71.21 N ATOM 1535 CA ARG A 97 3.153 11.082 7.257 1.00 21.31 C ATOM 1536 C ARG A 97 2.301 11.743 6.139 1.00 53.11 C ATOM 1537 O ARG A 97 1.198 12.222 6.426 1.00 44.32 O ATOM 1538 CB ARG A 97 3.383 12.077 8.421 1.00 23.52 C ATOM 1539 CG ARG A 97 4.140 13.359 8.041 1.00 74.31 C ATOM 1540 CD ARG A 97 4.393 14.254 9.253 1.00 73.34 C ATOM 1541 NE ARG A 97 5.051 15.524 8.891 1.00 3.00 N ATOM 1542 CZ ARG A 97 5.485 16.449 9.774 1.00 71.44 C ATOM 1543 NH1 ARG A 97 5.335 16.280 11.097 1.00 24.10 N1+ ATOM 1544 NH2 ARG A 97 6.068 17.561 9.324 1.00 51.21 N ATOM 0 H ARG A 97 5.230 11.194 6.893 1.00 71.21 H new ATOM 0 HA ARG A 97 2.575 10.225 7.604 1.00 21.31 H new ATOM 0 HB2 ARG A 97 2.415 12.355 8.838 1.00 23.52 H new ATOM 0 HB3 ARG A 97 3.936 11.568 9.210 1.00 23.52 H new ATOM 0 HG2 ARG A 97 5.092 13.095 7.580 1.00 74.31 H new ATOM 0 HG3 ARG A 97 3.567 13.911 7.296 1.00 74.31 H new ATOM 0 HD2 ARG A 97 3.445 14.468 9.747 1.00 73.34 H new ATOM 0 HD3 ARG A 97 5.014 13.719 9.972 1.00 73.34 H new ATOM 0 HE ARG A 97 5.188 15.718 7.899 1.00 3.00 H new ATOM 0 HH11 ARG A 97 4.885 15.438 11.456 1.00 24.10 H new ATOM 0 HH12 ARG A 97 5.671 16.993 11.744 1.00 24.10 H new ATOM 0 HH21 ARG A 97 6.183 17.707 8.321 1.00 51.21 H new ATOM 0 HH22 ARG A 97 6.399 18.266 9.983 1.00 51.21 H new ATOM 1558 N LYS A 98 2.799 11.780 4.878 1.00 2.32 N ATOM 1559 CA LYS A 98 2.055 12.402 3.761 1.00 44.34 C ATOM 1560 C LYS A 98 1.325 11.358 2.897 1.00 42.12 C ATOM 1561 O LYS A 98 0.126 11.505 2.642 1.00 72.23 O ATOM 1562 CB LYS A 98 2.996 13.260 2.886 1.00 51.32 C ATOM 1563 CG LYS A 98 3.425 14.583 3.541 1.00 11.15 C ATOM 1564 CD LYS A 98 3.862 15.636 2.511 1.00 20.34 C ATOM 1565 CE LYS A 98 2.675 16.392 1.907 1.00 33.24 C ATOM 1566 NZ LYS A 98 3.106 17.430 0.924 1.00 61.02 N1+ ATOM 0 H LYS A 98 3.704 11.390 4.614 1.00 2.32 H new ATOM 0 HA LYS A 98 1.297 13.048 4.204 1.00 44.34 H new ATOM 0 HB2 LYS A 98 3.887 12.678 2.650 1.00 51.32 H new ATOM 0 HB3 LYS A 98 2.498 13.479 1.941 1.00 51.32 H new ATOM 0 HG2 LYS A 98 2.597 14.978 4.130 1.00 11.15 H new ATOM 0 HG3 LYS A 98 4.246 14.393 4.232 1.00 11.15 H new ATOM 0 HD2 LYS A 98 4.537 16.347 2.987 1.00 20.34 H new ATOM 0 HD3 LYS A 98 4.423 15.149 1.713 1.00 20.34 H new ATOM 0 HE2 LYS A 98 2.008 15.684 1.415 1.00 33.24 H new ATOM 0 HE3 LYS A 98 2.104 16.866 2.706 1.00 33.24 H new ATOM 0 HZ1 LYS A 98 2.269 17.915 0.542 1.00 61.02 H new ATOM 0 HZ2 LYS A 98 3.721 18.122 1.397 1.00 61.02 H new ATOM 0 HZ3 LYS A 98 3.628 16.977 0.147 1.00 61.02 H new ATOM 1580 N ILE A 99 2.046 10.311 2.440 1.00 25.30 N ATOM 1581 CA ILE A 99 1.443 9.257 1.591 1.00 31.10 C ATOM 1582 C ILE A 99 0.516 8.301 2.381 1.00 53.03 C ATOM 1583 O ILE A 99 -0.379 7.694 1.783 1.00 72.54 O ATOM 1584 CB ILE A 99 2.511 8.421 0.804 1.00 43.14 C ATOM 1585 CG1 ILE A 99 3.590 7.800 1.760 1.00 2.32 C ATOM 1586 CG2 ILE A 99 3.117 9.266 -0.328 1.00 65.54 C ATOM 1587 CD1 ILE A 99 5.033 8.263 1.565 1.00 52.15 C ATOM 0 H ILE A 99 3.036 10.172 2.641 1.00 25.30 H new ATOM 0 HA ILE A 99 0.835 9.802 0.869 1.00 31.10 H new ATOM 0 HB ILE A 99 2.014 7.569 0.340 1.00 43.14 H new ATOM 0 HG12 ILE A 99 3.299 8.019 2.788 1.00 2.32 H new ATOM 0 HG13 ILE A 99 3.563 6.716 1.645 1.00 2.32 H new ATOM 0 HG21 ILE A 99 3.857 8.675 -0.867 1.00 65.54 H new ATOM 0 HG22 ILE A 99 2.328 9.574 -1.015 1.00 65.54 H new ATOM 0 HG23 ILE A 99 3.596 10.150 0.094 1.00 65.54 H new ATOM 0 HD11 ILE A 99 5.677 7.760 2.286 1.00 52.15 H new ATOM 0 HD12 ILE A 99 5.360 8.019 0.554 1.00 52.15 H new ATOM 0 HD13 ILE A 99 5.093 9.341 1.715 1.00 52.15 H new ATOM 1599 N TYR A 100 0.715 8.176 3.716 1.00 43.12 N ATOM 1600 CA TYR A 100 -0.134 7.296 4.555 1.00 24.11 C ATOM 1601 C TYR A 100 -1.579 7.835 4.660 1.00 64.44 C ATOM 1602 O TYR A 100 -2.522 7.050 4.796 1.00 23.11 O ATOM 1603 CB TYR A 100 0.466 7.113 5.977 1.00 14.44 C ATOM 1604 CG TYR A 100 0.526 5.661 6.460 1.00 73.10 C ATOM 1605 CD1 TYR A 100 -0.618 4.863 6.505 1.00 74.12 C ATOM 1606 CD2 TYR A 100 1.730 5.092 6.873 1.00 24.35 C ATOM 1607 CE1 TYR A 100 -0.562 3.553 6.941 1.00 1.40 C ATOM 1608 CE2 TYR A 100 1.790 3.781 7.310 1.00 32.13 C ATOM 1609 CZ TYR A 100 0.643 3.016 7.341 1.00 71.12 C ATOM 1610 OH TYR A 100 0.701 1.711 7.778 1.00 71.01 O ATOM 0 H TYR A 100 1.447 8.667 4.230 1.00 43.12 H new ATOM 0 HA TYR A 100 -0.162 6.324 4.063 1.00 24.11 H new ATOM 0 HB2 TYR A 100 1.474 7.528 5.988 1.00 14.44 H new ATOM 0 HB3 TYR A 100 -0.126 7.694 6.685 1.00 14.44 H new ATOM 0 HD1 TYR A 100 -1.565 5.277 6.193 1.00 74.12 H new ATOM 0 HD2 TYR A 100 2.632 5.686 6.851 1.00 24.35 H new ATOM 0 HE1 TYR A 100 -1.459 2.952 6.968 1.00 1.40 H new ATOM 0 HE2 TYR A 100 2.732 3.358 7.626 1.00 32.13 H new ATOM 0 HH TYR A 100 1.624 1.488 8.022 1.00 71.01 H new ATOM 1620 N THR A 101 -1.741 9.177 4.588 1.00 64.21 N ATOM 1621 CA THR A 101 -3.068 9.827 4.666 1.00 42.25 C ATOM 1622 C THR A 101 -3.977 9.430 3.476 1.00 52.50 C ATOM 1623 O THR A 101 -5.195 9.320 3.645 1.00 0.53 O ATOM 1624 CB THR A 101 -2.919 11.368 4.739 1.00 40.23 C ATOM 1625 OG1 THR A 101 -1.780 11.733 5.507 1.00 41.22 O ATOM 1626 CG2 THR A 101 -4.115 12.073 5.356 1.00 21.20 C ATOM 0 H THR A 101 -0.966 9.831 4.476 1.00 64.21 H new ATOM 0 HA THR A 101 -3.547 9.474 5.579 1.00 42.25 H new ATOM 0 HB THR A 101 -2.824 11.684 3.700 1.00 40.23 H new ATOM 0 HG1 THR A 101 -1.705 12.710 5.538 1.00 41.22 H new ATOM 0 HG21 THR A 101 -3.935 13.148 5.372 1.00 21.20 H new ATOM 0 HG22 THR A 101 -5.006 11.863 4.765 1.00 21.20 H new ATOM 0 HG23 THR A 101 -4.263 11.715 6.375 1.00 21.20 H new ATOM 1634 N MET A 102 -3.375 9.200 2.283 1.00 71.11 N ATOM 1635 CA MET A 102 -4.130 8.796 1.073 1.00 23.04 C ATOM 1636 C MET A 102 -4.636 7.337 1.186 1.00 22.30 C ATOM 1637 O MET A 102 -5.712 7.017 0.670 1.00 62.33 O ATOM 1638 CB MET A 102 -3.263 8.965 -0.201 1.00 24.23 C ATOM 1639 CG MET A 102 -3.248 10.387 -0.782 1.00 5.22 C ATOM 1640 SD MET A 102 -2.130 11.519 0.085 1.00 64.03 S ATOM 1641 CE MET A 102 -0.681 11.474 -0.971 1.00 63.05 C ATOM 0 H MET A 102 -2.370 9.288 2.134 1.00 71.11 H new ATOM 0 HA MET A 102 -4.997 9.452 0.994 1.00 23.04 H new ATOM 0 HB2 MET A 102 -2.239 8.671 0.031 1.00 24.23 H new ATOM 0 HB3 MET A 102 -3.627 8.278 -0.965 1.00 24.23 H new ATOM 0 HG2 MET A 102 -2.958 10.338 -1.832 1.00 5.22 H new ATOM 0 HG3 MET A 102 -4.259 10.794 -0.749 1.00 5.22 H new ATOM 0 HE1 MET A 102 0.103 12.098 -0.540 1.00 63.05 H new ATOM 0 HE2 MET A 102 -0.323 10.448 -1.054 1.00 63.05 H new ATOM 0 HE3 MET A 102 -0.940 11.849 -1.961 1.00 63.05 H new ATOM 1651 N ILE A 103 -3.861 6.465 1.875 1.00 30.21 N ATOM 1652 CA ILE A 103 -4.239 5.041 2.075 1.00 34.01 C ATOM 1653 C ILE A 103 -5.404 4.914 3.092 1.00 72.33 C ATOM 1654 O ILE A 103 -6.193 3.967 3.009 1.00 1.23 O ATOM 1655 CB ILE A 103 -3.018 4.166 2.548 1.00 43.32 C ATOM 1656 CG1 ILE A 103 -1.819 4.317 1.573 1.00 63.14 C ATOM 1657 CG2 ILE A 103 -3.409 2.679 2.690 1.00 51.13 C ATOM 1658 CD1 ILE A 103 -0.491 3.837 2.134 1.00 51.52 C ATOM 0 H ILE A 103 -2.971 6.721 2.302 1.00 30.21 H new ATOM 0 HA ILE A 103 -4.568 4.663 1.107 1.00 34.01 H new ATOM 0 HB ILE A 103 -2.717 4.530 3.530 1.00 43.32 H new ATOM 0 HG12 ILE A 103 -2.036 3.762 0.660 1.00 63.14 H new ATOM 0 HG13 ILE A 103 -1.724 5.366 1.293 1.00 63.14 H new ATOM 0 HG21 ILE A 103 -2.543 2.105 3.018 1.00 51.13 H new ATOM 0 HG22 ILE A 103 -4.208 2.581 3.425 1.00 51.13 H new ATOM 0 HG23 ILE A 103 -3.753 2.300 1.728 1.00 51.13 H new ATOM 0 HD11 ILE A 103 0.291 3.979 1.388 1.00 51.52 H new ATOM 0 HD12 ILE A 103 -0.247 4.408 3.030 1.00 51.52 H new ATOM 0 HD13 ILE A 103 -0.564 2.779 2.387 1.00 51.52 H new ATOM 1670 N TYR A 104 -5.507 5.879 4.037 1.00 12.42 N ATOM 1671 CA TYR A 104 -6.574 5.887 5.061 1.00 4.43 C ATOM 1672 C TYR A 104 -7.924 6.434 4.515 1.00 1.24 C ATOM 1673 O TYR A 104 -8.930 6.402 5.232 1.00 1.12 O ATOM 1674 CB TYR A 104 -6.111 6.720 6.282 1.00 12.03 C ATOM 1675 CG TYR A 104 -7.014 6.623 7.513 1.00 2.14 C ATOM 1676 CD1 TYR A 104 -7.032 5.477 8.307 1.00 55.44 C ATOM 1677 CD2 TYR A 104 -7.845 7.681 7.877 1.00 11.20 C ATOM 1678 CE1 TYR A 104 -7.847 5.391 9.419 1.00 12.12 C ATOM 1679 CE2 TYR A 104 -8.660 7.600 8.989 1.00 5.54 C ATOM 1680 CZ TYR A 104 -8.659 6.455 9.756 1.00 24.43 C ATOM 1681 OH TYR A 104 -9.470 6.372 10.865 1.00 22.33 O ATOM 0 H TYR A 104 -4.860 6.664 4.109 1.00 12.42 H new ATOM 0 HA TYR A 104 -6.752 4.854 5.359 1.00 4.43 H new ATOM 0 HB2 TYR A 104 -5.107 6.400 6.561 1.00 12.03 H new ATOM 0 HB3 TYR A 104 -6.041 7.766 5.983 1.00 12.03 H new ATOM 0 HD1 TYR A 104 -6.398 4.642 8.048 1.00 55.44 H new ATOM 0 HD2 TYR A 104 -7.852 8.580 7.279 1.00 11.20 H new ATOM 0 HE1 TYR A 104 -7.849 4.495 10.022 1.00 12.12 H new ATOM 0 HE2 TYR A 104 -9.296 8.431 9.257 1.00 5.54 H new ATOM 0 HH TYR A 104 -9.976 7.205 10.963 1.00 22.33 H new ATOM 1691 N ARG A 105 -7.948 6.931 3.255 1.00 22.52 N ATOM 1692 CA ARG A 105 -9.178 7.477 2.644 1.00 2.04 C ATOM 1693 C ARG A 105 -9.851 6.480 1.680 1.00 31.41 C ATOM 1694 O ARG A 105 -11.082 6.465 1.587 1.00 10.30 O ATOM 1695 CB ARG A 105 -8.868 8.790 1.891 1.00 3.24 C ATOM 1696 CG ARG A 105 -8.525 9.983 2.796 1.00 23.53 C ATOM 1697 CD ARG A 105 -9.721 10.909 3.039 1.00 14.50 C ATOM 1698 NE ARG A 105 -10.737 10.312 3.929 1.00 1.22 N ATOM 1699 CZ ARG A 105 -12.009 10.748 4.059 1.00 34.23 C ATOM 1700 NH1 ARG A 105 -12.458 11.811 3.376 1.00 52.40 N1+ ATOM 1701 NH2 ARG A 105 -12.840 10.113 4.887 1.00 71.30 N ATOM 0 H ARG A 105 -7.131 6.964 2.646 1.00 22.52 H new ATOM 0 HA ARG A 105 -9.874 7.671 3.460 1.00 2.04 H new ATOM 0 HB2 ARG A 105 -8.034 8.615 1.212 1.00 3.24 H new ATOM 0 HB3 ARG A 105 -9.729 9.053 1.277 1.00 3.24 H new ATOM 0 HG2 ARG A 105 -8.158 9.613 3.753 1.00 23.53 H new ATOM 0 HG3 ARG A 105 -7.715 10.555 2.344 1.00 23.53 H new ATOM 0 HD2 ARG A 105 -9.368 11.844 3.474 1.00 14.50 H new ATOM 0 HD3 ARG A 105 -10.183 11.157 2.083 1.00 14.50 H new ATOM 0 HE ARG A 105 -10.456 9.507 4.490 1.00 1.22 H new ATOM 0 HH11 ARG A 105 -11.835 12.310 2.741 1.00 52.40 H new ATOM 0 HH12 ARG A 105 -13.423 12.121 3.491 1.00 52.40 H new ATOM 0 HH21 ARG A 105 -12.513 9.305 5.416 1.00 71.30 H new ATOM 0 HH22 ARG A 105 -13.802 10.436 4.991 1.00 71.30 H new ATOM 1715 N ASN A 106 -9.050 5.675 0.945 1.00 33.30 N ATOM 1716 CA ASN A 106 -9.591 4.706 -0.033 1.00 70.25 C ATOM 1717 C ASN A 106 -9.524 3.250 0.487 1.00 51.22 C ATOM 1718 O ASN A 106 -9.026 2.357 -0.208 1.00 0.31 O ATOM 1719 CB ASN A 106 -8.831 4.834 -1.377 1.00 62.24 C ATOM 1720 CG ASN A 106 -9.013 6.195 -2.048 1.00 55.43 C ATOM 1721 OD1 ASN A 106 -8.278 7.140 -1.760 1.00 32.10 O ATOM 1722 ND2 ASN A 106 -9.987 6.302 -2.956 1.00 33.10 N ATOM 0 H ASN A 106 -8.032 5.678 1.011 1.00 33.30 H new ATOM 0 HA ASN A 106 -10.644 4.944 -0.185 1.00 70.25 H new ATOM 0 HB2 ASN A 106 -7.769 4.662 -1.203 1.00 62.24 H new ATOM 0 HB3 ASN A 106 -9.174 4.053 -2.056 1.00 62.24 H new ATOM 0 HD21 ASN A 106 -10.141 7.188 -3.436 1.00 33.10 H new ATOM 0 HD22 ASN A 106 -10.576 5.497 -3.169 1.00 33.10 H new ATOM 1729 N LEU A 107 -10.049 3.002 1.707 1.00 71.23 N ATOM 1730 CA LEU A 107 -10.055 1.644 2.294 1.00 0.41 C ATOM 1731 C LEU A 107 -11.286 1.411 3.195 1.00 13.55 C ATOM 1732 O LEU A 107 -11.991 2.361 3.551 1.00 21.44 O ATOM 1733 CB LEU A 107 -8.709 1.356 3.041 1.00 12.22 C ATOM 1734 CG LEU A 107 -8.500 1.891 4.495 1.00 20.45 C ATOM 1735 CD1 LEU A 107 -9.038 3.310 4.690 1.00 71.12 C ATOM 1736 CD2 LEU A 107 -9.085 0.934 5.543 1.00 1.33 C ATOM 0 H LEU A 107 -10.470 3.717 2.300 1.00 71.23 H new ATOM 0 HA LEU A 107 -10.136 0.927 1.477 1.00 0.41 H new ATOM 0 HB2 LEU A 107 -8.578 0.274 3.070 1.00 12.22 H new ATOM 0 HB3 LEU A 107 -7.903 1.758 2.427 1.00 12.22 H new ATOM 0 HG LEU A 107 -7.421 1.939 4.644 1.00 20.45 H new ATOM 0 HD11 LEU A 107 -8.864 3.627 5.718 1.00 71.12 H new ATOM 0 HD12 LEU A 107 -8.526 3.990 4.009 1.00 71.12 H new ATOM 0 HD13 LEU A 107 -10.108 3.325 4.481 1.00 71.12 H new ATOM 0 HD21 LEU A 107 -8.919 1.341 6.540 1.00 1.33 H new ATOM 0 HD22 LEU A 107 -10.155 0.817 5.372 1.00 1.33 H new ATOM 0 HD23 LEU A 107 -8.596 -0.037 5.462 1.00 1.33 H new ATOM 1748 N VAL A 108 -11.525 0.135 3.559 1.00 75.42 N ATOM 1749 CA VAL A 108 -12.653 -0.252 4.427 1.00 2.55 C ATOM 1750 C VAL A 108 -12.121 -0.911 5.714 1.00 11.24 C ATOM 1751 O VAL A 108 -11.482 -1.968 5.660 1.00 44.23 O ATOM 1752 CB VAL A 108 -13.673 -1.202 3.700 1.00 73.10 C ATOM 1753 CG1 VAL A 108 -14.529 -0.413 2.707 1.00 73.24 C ATOM 1754 CG2 VAL A 108 -12.982 -2.381 2.993 1.00 24.13 C ATOM 0 H VAL A 108 -10.946 -0.650 3.262 1.00 75.42 H new ATOM 0 HA VAL A 108 -13.198 0.657 4.682 1.00 2.55 H new ATOM 0 HB VAL A 108 -14.316 -1.625 4.472 1.00 73.10 H new ATOM 0 HG11 VAL A 108 -15.229 -1.088 2.214 1.00 73.24 H new ATOM 0 HG12 VAL A 108 -15.084 0.360 3.239 1.00 73.24 H new ATOM 0 HG13 VAL A 108 -13.885 0.051 1.960 1.00 73.24 H new ATOM 0 HG21 VAL A 108 -13.733 -3.005 2.508 1.00 24.13 H new ATOM 0 HG22 VAL A 108 -12.288 -2.000 2.244 1.00 24.13 H new ATOM 0 HG23 VAL A 108 -12.435 -2.975 3.726 1.00 24.13 H new ATOM 1764 N VAL A 109 -12.365 -0.260 6.872 1.00 13.42 N ATOM 1765 CA VAL A 109 -11.889 -0.766 8.180 1.00 10.14 C ATOM 1766 C VAL A 109 -12.876 -1.773 8.801 1.00 53.13 C ATOM 1767 O VAL A 109 -14.096 -1.622 8.667 1.00 23.24 O ATOM 1768 CB VAL A 109 -11.594 0.388 9.206 1.00 15.11 C ATOM 1769 CG1 VAL A 109 -10.359 1.190 8.788 1.00 50.04 C ATOM 1770 CG2 VAL A 109 -12.799 1.321 9.413 1.00 62.45 C ATOM 0 H VAL A 109 -12.887 0.614 6.929 1.00 13.42 H new ATOM 0 HA VAL A 109 -10.950 -1.278 7.971 1.00 10.14 H new ATOM 0 HB VAL A 109 -11.395 -0.092 10.164 1.00 15.11 H new ATOM 0 HG11 VAL A 109 -10.177 1.982 9.514 1.00 50.04 H new ATOM 0 HG12 VAL A 109 -9.493 0.529 8.746 1.00 50.04 H new ATOM 0 HG13 VAL A 109 -10.527 1.630 7.805 1.00 50.04 H new ATOM 0 HG21 VAL A 109 -12.538 2.098 10.131 1.00 62.45 H new ATOM 0 HG22 VAL A 109 -13.070 1.781 8.463 1.00 62.45 H new ATOM 0 HG23 VAL A 109 -13.644 0.746 9.792 1.00 62.45 H new ATOM 1780 N VAL A 110 -12.327 -2.794 9.490 1.00 24.35 N ATOM 1781 CA VAL A 110 -13.130 -3.836 10.155 1.00 65.24 C ATOM 1782 C VAL A 110 -13.348 -3.460 11.636 1.00 35.21 C ATOM 1783 O VAL A 110 -14.492 -3.392 12.097 1.00 41.51 O ATOM 1784 CB VAL A 110 -12.450 -5.246 10.029 1.00 45.23 C ATOM 1785 CG1 VAL A 110 -13.256 -6.336 10.742 1.00 74.14 C ATOM 1786 CG2 VAL A 110 -12.238 -5.624 8.556 1.00 41.33 C ATOM 0 H VAL A 110 -11.321 -2.918 9.600 1.00 24.35 H new ATOM 0 HA VAL A 110 -14.099 -3.897 9.659 1.00 65.24 H new ATOM 0 HB VAL A 110 -11.479 -5.175 10.518 1.00 45.23 H new ATOM 0 HG11 VAL A 110 -12.750 -7.295 10.630 1.00 74.14 H new ATOM 0 HG12 VAL A 110 -13.341 -6.092 11.801 1.00 74.14 H new ATOM 0 HG13 VAL A 110 -14.252 -6.398 10.303 1.00 74.14 H new ATOM 0 HG21 VAL A 110 -11.766 -6.605 8.496 1.00 41.33 H new ATOM 0 HG22 VAL A 110 -13.201 -5.653 8.046 1.00 41.33 H new ATOM 0 HG23 VAL A 110 -11.597 -4.883 8.079 1.00 41.33 H new ATOM 1796 N ASN A 111 -12.243 -3.195 12.363 1.00 74.32 N ATOM 1797 CA ASN A 111 -12.295 -2.800 13.782 1.00 5.30 C ATOM 1798 C ASN A 111 -12.071 -1.281 13.907 1.00 21.01 C ATOM 1799 O ASN A 111 -10.953 -0.796 13.695 1.00 51.21 O ATOM 1800 CB ASN A 111 -11.238 -3.571 14.605 1.00 74.52 C ATOM 1801 CG ASN A 111 -11.498 -5.076 14.646 1.00 32.22 C ATOM 1802 OD1 ASN A 111 -12.284 -5.554 15.463 1.00 42.33 O ATOM 1803 ND2 ASN A 111 -10.838 -5.837 13.765 1.00 41.05 N ATOM 0 H ASN A 111 -11.297 -3.249 11.985 1.00 74.32 H new ATOM 0 HA ASN A 111 -13.279 -3.049 14.179 1.00 5.30 H new ATOM 0 HB2 ASN A 111 -10.251 -3.389 14.180 1.00 74.52 H new ATOM 0 HB3 ASN A 111 -11.223 -3.182 15.623 1.00 74.52 H new ATOM 0 HD21 ASN A 111 -10.979 -6.847 13.757 1.00 41.05 H new ATOM 0 HD22 ASN A 111 -10.194 -5.407 13.102 1.00 41.05 H new