USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 753 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 97 THR OG1 : rot 180:sc= -6.52! USER MOD Set 1.2: A 101 TYR OH : rot -30:sc= -1.4! USER MOD Set 1.3: A 108 ASN : amide:sc= -6.02! C(o=-14!,f=-20!) USER MOD Set 2.1: A 98 SER OG : rot 180:sc= -0.138 USER MOD Set 2.2: A 102 GLN : amide:sc=-0.00192 X(o=-0.14,f=-0.14) USER MOD Set 3.1: A 20 ASN :FLIP amide:sc= -0.499 F(o=-3.5,f=-0.059) USER MOD Set 3.2: A 45 ASN : amide:sc= 0.439 K(o=-0.059,f=-6.7!) USER MOD Set 4.1: A 10 SER OG : rot -63:sc= 0.239 USER MOD Set 4.2: A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.145 X(o=-0.14,f=0) USER MOD Single : A 7 THR OG1 : rot 173:sc= -10.5! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.594 K(o=-0.59,f=-4.1!) USER MOD Single : A 21 SER OG : rot -82:sc= 1.16 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -45:sc= 0.198 USER MOD Single : A 28 ASN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 29 THR OG1 : rot 62:sc= 0.438 USER MOD Single : A 31 SER OG : rot 180:sc= -0.0112 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 36 GLN : amide:sc= -3.02! C(o=-3!,f=-4!) USER MOD Single : A 37 MET CE :methyl -151:sc= -2.24! (180deg=-6.23!) USER MOD Single : A 39 ASN : amide:sc= -0.194 K(o=-0.19,f=-1.1) USER MOD Single : A 40 MET CE :methyl -157:sc= -3.44! (180deg=-5.69!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -176:sc= -0.726! USER MOD Single : A 48 MET CE :methyl -119:sc= -0.0815 (180deg=-0.609) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.054 K(o=-0.054,f=-2!) USER MOD Single : A 68 MET CE :methyl 150:sc= -0.305 (180deg=-1.64!) USER MOD Single : A 72 SER OG : rot 180:sc= -0.208 USER MOD Single : A 73 SER OG : rot -46:sc= -2.44! USER MOD Single : A 76 GLN : amide:sc= 0.107 K(o=0.11,f=-1.5) USER MOD Single : A 80 SER OG : rot 99:sc= 1.15 USER MOD Single : A 81 GLN :FLIP amide:sc= -4.54! C(o=-8.4!,f=-4.5!) USER MOD Single : A 88 THR OG1 : rot 80:sc= -0.766 USER MOD Single : A 89 THR OG1 : rot 92:sc= 0.524 USER MOD Single : A 90 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 103 THR OG1 : rot -71:sc= -0.18 USER MOD Single : A 104 THR OG1 : rot -70:sc= -2.97! USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot -42:sc= 0.976 USER MOD Single : A 121 MET CE :methyl -156:sc= -0.186 (180deg=-1.29) USER MOD ----------------------------------------------------------------- ATOM 61 N ASN A 6 -13.855 7.693 -5.449 1.00 0.00 N ATOM 62 CA ASN A 6 -14.058 9.148 -5.195 1.00 0.00 C ATOM 63 C ASN A 6 -13.195 9.583 -4.009 1.00 0.00 C ATOM 64 O ASN A 6 -12.982 10.758 -3.782 1.00 0.00 O ATOM 65 CB ASN A 6 -15.532 9.408 -4.876 1.00 0.00 C ATOM 66 CG ASN A 6 -16.401 8.910 -6.032 1.00 0.00 C ATOM 67 OD1 ASN A 6 -17.366 8.202 -5.822 1.00 0.00 O ATOM 68 ND2 ASN A 6 -16.099 9.254 -7.254 1.00 0.00 N ATOM 0 HA ASN A 6 -13.772 9.716 -6.080 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -15.810 8.899 -3.953 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -15.698 10.473 -4.715 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -16.673 8.929 -8.032 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -15.289 9.848 -7.431 1.00 0.00 H new ATOM 75 N THR A 7 -12.697 8.645 -3.251 1.00 0.00 N ATOM 76 CA THR A 7 -11.849 9.003 -2.080 1.00 0.00 C ATOM 77 C THR A 7 -10.635 8.073 -2.033 1.00 0.00 C ATOM 78 O THR A 7 -10.693 6.945 -2.477 1.00 0.00 O ATOM 79 CB THR A 7 -12.668 8.846 -0.796 1.00 0.00 C ATOM 80 OG1 THR A 7 -11.880 9.237 0.317 1.00 0.00 O ATOM 81 CG2 THR A 7 -13.094 7.388 -0.634 1.00 0.00 C ATOM 0 H THR A 7 -12.841 7.645 -3.393 1.00 0.00 H new ATOM 0 HA THR A 7 -11.511 10.035 -2.170 1.00 0.00 H new ATOM 0 HB THR A 7 -13.555 9.476 -0.853 1.00 0.00 H new ATOM 0 HG1 THR A 7 -12.435 9.244 1.125 1.00 0.00 H new ATOM 0 HG21 THR A 7 -13.677 7.279 0.281 1.00 0.00 H new ATOM 0 HG22 THR A 7 -13.701 7.089 -1.489 1.00 0.00 H new ATOM 0 HG23 THR A 7 -12.209 6.754 -0.578 1.00 0.00 H new ATOM 89 N PRO A 8 -9.508 8.560 -1.493 1.00 0.00 N ATOM 90 CA PRO A 8 -8.271 7.772 -1.397 1.00 0.00 C ATOM 91 C PRO A 8 -8.400 6.571 -0.451 1.00 0.00 C ATOM 92 O PRO A 8 -7.761 5.557 -0.646 1.00 0.00 O ATOM 93 CB PRO A 8 -7.253 8.773 -0.846 1.00 0.00 C ATOM 94 CG PRO A 8 -8.080 9.785 -0.130 1.00 0.00 C ATOM 95 CD PRO A 8 -9.341 9.914 -0.933 1.00 0.00 C ATOM 0 HA PRO A 8 -7.996 7.342 -2.360 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.545 8.290 -0.173 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.671 9.230 -1.647 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.295 9.465 0.890 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.559 10.740 -0.062 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.189 10.203 -0.312 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.248 10.667 -1.715 1.00 0.00 H new ATOM 103 N TRP A 9 -9.208 6.666 0.571 1.00 0.00 N ATOM 104 CA TRP A 9 -9.340 5.510 1.506 1.00 0.00 C ATOM 105 C TRP A 9 -10.305 4.471 0.928 1.00 0.00 C ATOM 106 O TRP A 9 -10.531 3.432 1.516 1.00 0.00 O ATOM 107 CB TRP A 9 -9.849 5.984 2.870 1.00 0.00 C ATOM 108 CG TRP A 9 -11.164 6.679 2.723 1.00 0.00 C ATOM 109 CD1 TRP A 9 -12.367 6.064 2.691 1.00 0.00 C ATOM 110 CD2 TRP A 9 -11.429 8.107 2.602 1.00 0.00 C ATOM 111 NE1 TRP A 9 -13.356 7.022 2.555 1.00 0.00 N ATOM 112 CE2 TRP A 9 -12.827 8.297 2.496 1.00 0.00 C ATOM 113 CE3 TRP A 9 -10.601 9.243 2.573 1.00 0.00 C ATOM 114 CZ2 TRP A 9 -13.383 9.571 2.366 1.00 0.00 C ATOM 115 CZ3 TRP A 9 -11.157 10.526 2.442 1.00 0.00 C ATOM 116 CH2 TRP A 9 -12.545 10.689 2.339 1.00 0.00 C ATOM 0 H TRP A 9 -9.776 7.482 0.798 1.00 0.00 H new ATOM 0 HA TRP A 9 -8.358 5.054 1.633 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -9.954 5.132 3.542 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -9.122 6.659 3.322 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -12.530 4.999 2.760 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -14.353 6.813 2.505 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -9.530 9.128 2.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -14.453 9.692 2.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -10.511 11.392 2.421 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -12.967 11.678 2.239 1.00 0.00 H new ATOM 127 N SER A 10 -10.865 4.728 -0.223 1.00 0.00 N ATOM 128 CA SER A 10 -11.796 3.733 -0.828 1.00 0.00 C ATOM 129 C SER A 10 -10.991 2.771 -1.703 1.00 0.00 C ATOM 130 O SER A 10 -11.461 1.717 -2.084 1.00 0.00 O ATOM 131 CB SER A 10 -12.844 4.449 -1.683 1.00 0.00 C ATOM 132 OG SER A 10 -12.197 5.189 -2.706 1.00 0.00 O ATOM 0 H SER A 10 -10.720 5.578 -0.768 1.00 0.00 H new ATOM 0 HA SER A 10 -12.304 3.181 -0.037 1.00 0.00 H new ATOM 0 HB2 SER A 10 -13.528 3.723 -2.122 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.442 5.115 -1.061 1.00 0.00 H new ATOM 0 HG SER A 10 -11.631 5.880 -2.302 1.00 0.00 H new ATOM 138 N SER A 11 -9.775 3.128 -2.017 1.00 0.00 N ATOM 139 CA SER A 11 -8.926 2.241 -2.861 1.00 0.00 C ATOM 140 C SER A 11 -7.489 2.277 -2.336 1.00 0.00 C ATOM 141 O SER A 11 -7.040 3.271 -1.804 1.00 0.00 O ATOM 142 CB SER A 11 -8.953 2.732 -4.310 1.00 0.00 C ATOM 143 OG SER A 11 -10.273 2.622 -4.823 1.00 0.00 O ATOM 0 H SER A 11 -9.332 3.999 -1.724 1.00 0.00 H new ATOM 0 HA SER A 11 -9.308 1.221 -2.820 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.617 3.768 -4.361 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.265 2.144 -4.917 1.00 0.00 H new ATOM 0 HG SER A 11 -10.291 2.938 -5.751 1.00 0.00 H new ATOM 149 N LYS A 12 -6.765 1.201 -2.479 1.00 0.00 N ATOM 150 CA LYS A 12 -5.358 1.181 -1.983 1.00 0.00 C ATOM 151 C LYS A 12 -4.498 2.101 -2.845 1.00 0.00 C ATOM 152 O LYS A 12 -3.620 2.786 -2.358 1.00 0.00 O ATOM 153 CB LYS A 12 -4.794 -0.239 -2.071 1.00 0.00 C ATOM 154 CG LYS A 12 -5.743 -1.222 -1.391 1.00 0.00 C ATOM 155 CD LYS A 12 -5.299 -2.650 -1.717 1.00 0.00 C ATOM 156 CE LYS A 12 -5.153 -2.804 -3.233 1.00 0.00 C ATOM 157 NZ LYS A 12 -5.028 -4.249 -3.576 1.00 0.00 N ATOM 0 H LYS A 12 -7.085 0.337 -2.916 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.346 1.519 -0.947 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.654 -0.519 -3.115 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.814 -0.280 -1.596 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.740 -1.064 -0.313 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.764 -1.058 -1.734 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.351 -2.869 -1.225 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.028 -3.365 -1.336 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.017 -2.373 -3.738 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.276 -2.259 -3.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.929 -4.354 -4.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.190 -4.646 -3.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.878 -4.756 -3.257 1.00 0.00 H new ATOM 171 N ALA A 13 -4.733 2.112 -4.127 1.00 0.00 N ATOM 172 CA ALA A 13 -3.917 2.977 -5.024 1.00 0.00 C ATOM 173 C ALA A 13 -4.104 4.445 -4.637 1.00 0.00 C ATOM 174 O ALA A 13 -3.149 5.175 -4.458 1.00 0.00 O ATOM 175 CB ALA A 13 -4.366 2.770 -6.472 1.00 0.00 C ATOM 0 H ALA A 13 -5.454 1.560 -4.592 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.865 2.711 -4.924 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.771 3.402 -7.131 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.229 1.725 -6.750 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.419 3.036 -6.568 1.00 0.00 H new ATOM 181 N ASN A 14 -5.325 4.883 -4.510 1.00 0.00 N ATOM 182 CA ASN A 14 -5.574 6.304 -4.138 1.00 0.00 C ATOM 183 C ASN A 14 -5.220 6.526 -2.663 1.00 0.00 C ATOM 184 O ASN A 14 -4.781 7.591 -2.275 1.00 0.00 O ATOM 185 CB ASN A 14 -7.049 6.636 -4.368 1.00 0.00 C ATOM 186 CG ASN A 14 -7.407 6.371 -5.832 1.00 0.00 C ATOM 187 OD1 ASN A 14 -6.618 5.816 -6.571 1.00 0.00 O ATOM 188 ND2 ASN A 14 -8.573 6.746 -6.285 1.00 0.00 N ATOM 0 H ASN A 14 -6.163 4.318 -4.648 1.00 0.00 H new ATOM 0 HA ASN A 14 -4.953 6.953 -4.755 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.676 6.030 -3.713 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.242 7.679 -4.118 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.821 6.573 -7.259 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -9.235 7.212 -5.665 1.00 0.00 H new ATOM 195 N ALA A 15 -5.414 5.533 -1.837 1.00 0.00 N ATOM 196 CA ALA A 15 -5.097 5.692 -0.388 1.00 0.00 C ATOM 197 C ALA A 15 -3.588 5.846 -0.197 1.00 0.00 C ATOM 198 O ALA A 15 -3.125 6.732 0.494 1.00 0.00 O ATOM 199 CB ALA A 15 -5.576 4.457 0.379 1.00 0.00 C ATOM 0 H ALA A 15 -5.778 4.618 -2.103 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.602 6.581 -0.010 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.344 4.574 1.438 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.653 4.346 0.253 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.072 3.571 -0.007 1.00 0.00 H new ATOM 205 N ASP A 16 -2.820 4.982 -0.794 1.00 0.00 N ATOM 206 CA ASP A 16 -1.340 5.064 -0.639 1.00 0.00 C ATOM 207 C ASP A 16 -0.849 6.458 -1.042 1.00 0.00 C ATOM 208 O ASP A 16 -0.202 7.141 -0.274 1.00 0.00 O ATOM 209 CB ASP A 16 -0.679 4.010 -1.529 1.00 0.00 C ATOM 210 CG ASP A 16 0.816 3.938 -1.212 1.00 0.00 C ATOM 211 OD1 ASP A 16 1.193 4.358 -0.131 1.00 0.00 O ATOM 212 OD2 ASP A 16 1.558 3.464 -2.057 1.00 0.00 O ATOM 0 H ASP A 16 -3.152 4.220 -1.385 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.076 4.882 0.403 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.143 3.038 -1.365 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.827 4.261 -2.579 1.00 0.00 H new ATOM 217 N ALA A 17 -1.148 6.887 -2.237 1.00 0.00 N ATOM 218 CA ALA A 17 -0.692 8.237 -2.674 1.00 0.00 C ATOM 219 C ALA A 17 -1.257 9.295 -1.725 1.00 0.00 C ATOM 220 O ALA A 17 -0.629 10.298 -1.453 1.00 0.00 O ATOM 221 CB ALA A 17 -1.182 8.508 -4.096 1.00 0.00 C ATOM 0 H ALA A 17 -1.686 6.364 -2.928 1.00 0.00 H new ATOM 0 HA ALA A 17 0.397 8.277 -2.656 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.848 9.496 -4.414 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.777 7.753 -4.770 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.271 8.469 -4.119 1.00 0.00 H new ATOM 227 N PHE A 18 -2.439 9.076 -1.217 1.00 0.00 N ATOM 228 CA PHE A 18 -3.045 10.064 -0.282 1.00 0.00 C ATOM 229 C PHE A 18 -2.243 10.082 1.019 1.00 0.00 C ATOM 230 O PHE A 18 -2.054 11.115 1.631 1.00 0.00 O ATOM 231 CB PHE A 18 -4.491 9.659 0.010 1.00 0.00 C ATOM 232 CG PHE A 18 -5.066 10.555 1.083 1.00 0.00 C ATOM 233 CD1 PHE A 18 -5.227 11.924 0.839 1.00 0.00 C ATOM 234 CD2 PHE A 18 -5.441 10.014 2.319 1.00 0.00 C ATOM 235 CE1 PHE A 18 -5.763 12.753 1.833 1.00 0.00 C ATOM 236 CE2 PHE A 18 -5.978 10.843 3.311 1.00 0.00 C ATOM 237 CZ PHE A 18 -6.138 12.212 3.068 1.00 0.00 C ATOM 0 H PHE A 18 -3.011 8.254 -1.410 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.030 11.057 -0.731 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.090 9.733 -0.898 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.529 8.619 0.333 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.938 12.341 -0.115 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.316 8.958 2.507 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.887 13.810 1.646 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -6.269 10.426 4.264 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.551 12.851 3.834 1.00 0.00 H new ATOM 247 N ILE A 19 -1.774 8.943 1.449 1.00 0.00 N ATOM 248 CA ILE A 19 -0.986 8.886 2.712 1.00 0.00 C ATOM 249 C ILE A 19 0.411 9.466 2.479 1.00 0.00 C ATOM 250 O ILE A 19 0.961 10.144 3.324 1.00 0.00 O ATOM 251 CB ILE A 19 -0.863 7.430 3.162 1.00 0.00 C ATOM 252 CG1 ILE A 19 -2.240 6.903 3.569 1.00 0.00 C ATOM 253 CG2 ILE A 19 0.088 7.342 4.356 1.00 0.00 C ATOM 254 CD1 ILE A 19 -2.086 5.536 4.236 1.00 0.00 C ATOM 0 H ILE A 19 -1.903 8.047 0.979 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.492 9.469 3.481 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.472 6.830 2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.721 7.602 4.254 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.884 6.822 2.693 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.175 6.304 4.676 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.070 7.716 4.067 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.302 7.943 5.177 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.067 5.160 4.526 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.623 4.840 3.536 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.458 5.632 5.122 1.00 0.00 H new ATOM 266 N ASN A 20 0.993 9.201 1.342 1.00 0.00 N ATOM 267 CA ASN A 20 2.358 9.730 1.058 1.00 0.00 C ATOM 268 C ASN A 20 2.307 11.251 0.906 1.00 0.00 C ATOM 269 O ASN A 20 3.077 11.972 1.510 1.00 0.00 O ATOM 270 CB ASN A 20 2.877 9.116 -0.244 1.00 0.00 C ATOM 271 CG ASN A 20 2.611 7.611 -0.244 1.00 0.00 C ATOM 272 OD1 ASN A 20 2.185 7.039 -1.337 1.00 0.00 O flip ATOM 273 ND2 ASN A 20 2.792 6.949 0.758 1.00 0.00 N flip ATOM 0 H ASN A 20 0.582 8.640 0.596 1.00 0.00 H new ATOM 0 HA ASN A 20 3.021 9.471 1.884 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.386 9.582 -1.098 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.945 9.307 -0.347 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.125 7.397 1.612 1.00 0.00 H new ATOM 0 HD22 ASN A 20 2.611 5.945 0.746 1.00 0.00 H new ATOM 280 N SER A 21 1.413 11.742 0.097 1.00 0.00 N ATOM 281 CA SER A 21 1.315 13.214 -0.107 1.00 0.00 C ATOM 282 C SER A 21 1.014 13.905 1.225 1.00 0.00 C ATOM 283 O SER A 21 1.448 15.011 1.474 1.00 0.00 O ATOM 284 CB SER A 21 0.191 13.509 -1.098 1.00 0.00 C ATOM 285 OG SER A 21 -1.013 12.914 -0.637 1.00 0.00 O ATOM 0 H SER A 21 0.743 11.186 -0.434 1.00 0.00 H new ATOM 0 HA SER A 21 2.261 13.589 -0.498 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.059 14.586 -1.206 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.448 13.119 -2.083 1.00 0.00 H new ATOM 0 HG SER A 21 -1.029 11.968 -0.893 1.00 0.00 H new ATOM 291 N PHE A 22 0.268 13.261 2.077 1.00 0.00 N ATOM 292 CA PHE A 22 -0.069 13.878 3.391 1.00 0.00 C ATOM 293 C PHE A 22 1.206 14.069 4.218 1.00 0.00 C ATOM 294 O PHE A 22 1.344 15.028 4.950 1.00 0.00 O ATOM 295 CB PHE A 22 -1.033 12.961 4.148 1.00 0.00 C ATOM 296 CG PHE A 22 -1.223 13.479 5.554 1.00 0.00 C ATOM 297 CD1 PHE A 22 -0.216 13.296 6.510 1.00 0.00 C ATOM 298 CD2 PHE A 22 -2.406 14.141 5.901 1.00 0.00 C ATOM 299 CE1 PHE A 22 -0.393 13.776 7.813 1.00 0.00 C ATOM 300 CE2 PHE A 22 -2.583 14.621 7.203 1.00 0.00 C ATOM 301 CZ PHE A 22 -1.576 14.438 8.160 1.00 0.00 C ATOM 0 H PHE A 22 -0.124 12.332 1.921 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.537 14.848 3.224 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.992 12.919 3.632 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.640 11.945 4.174 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.697 12.785 6.242 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.182 14.281 5.164 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.383 13.635 8.550 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.496 15.133 7.471 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.713 14.808 9.165 1.00 0.00 H new ATOM 311 N ILE A 23 2.132 13.156 4.117 1.00 0.00 N ATOM 312 CA ILE A 23 3.389 13.277 4.911 1.00 0.00 C ATOM 313 C ILE A 23 4.261 14.406 4.353 1.00 0.00 C ATOM 314 O ILE A 23 4.643 15.316 5.062 1.00 0.00 O ATOM 315 CB ILE A 23 4.163 11.961 4.835 1.00 0.00 C ATOM 316 CG1 ILE A 23 3.270 10.814 5.313 1.00 0.00 C ATOM 317 CG2 ILE A 23 5.404 12.047 5.726 1.00 0.00 C ATOM 318 CD1 ILE A 23 3.994 9.484 5.102 1.00 0.00 C ATOM 0 H ILE A 23 2.074 12.331 3.520 1.00 0.00 H new ATOM 0 HA ILE A 23 3.134 13.501 5.947 1.00 0.00 H new ATOM 0 HB ILE A 23 4.467 11.778 3.804 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.025 10.944 6.367 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.328 10.819 4.764 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.956 11.109 5.672 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.041 12.863 5.385 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.100 12.230 6.757 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.359 8.666 5.442 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.216 9.355 4.043 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.924 9.482 5.671 1.00 0.00 H new ATOM 330 N SER A 24 4.592 14.349 3.093 1.00 0.00 N ATOM 331 CA SER A 24 5.451 15.413 2.497 1.00 0.00 C ATOM 332 C SER A 24 4.765 16.774 2.634 1.00 0.00 C ATOM 333 O SER A 24 5.413 17.796 2.743 1.00 0.00 O ATOM 334 CB SER A 24 5.685 15.108 1.017 1.00 0.00 C ATOM 335 OG SER A 24 6.381 13.878 0.891 1.00 0.00 O ATOM 0 H SER A 24 4.305 13.612 2.449 1.00 0.00 H new ATOM 0 HA SER A 24 6.406 15.439 3.022 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.732 15.054 0.491 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.259 15.912 0.556 1.00 0.00 H new ATOM 0 HG SER A 24 6.529 13.682 -0.058 1.00 0.00 H new ATOM 341 N ALA A 25 3.462 16.801 2.619 1.00 0.00 N ATOM 342 CA ALA A 25 2.743 18.100 2.736 1.00 0.00 C ATOM 343 C ALA A 25 2.728 18.568 4.195 1.00 0.00 C ATOM 344 O ALA A 25 2.939 19.729 4.482 1.00 0.00 O ATOM 345 CB ALA A 25 1.305 17.932 2.243 1.00 0.00 C ATOM 0 H ALA A 25 2.864 15.980 2.531 1.00 0.00 H new ATOM 0 HA ALA A 25 3.257 18.845 2.129 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.778 18.882 2.328 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.313 17.613 1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.798 17.180 2.848 1.00 0.00 H new ATOM 351 N ALA A 26 2.466 17.681 5.116 1.00 0.00 N ATOM 352 CA ALA A 26 2.423 18.091 6.552 1.00 0.00 C ATOM 353 C ALA A 26 3.830 18.424 7.054 1.00 0.00 C ATOM 354 O ALA A 26 4.012 19.297 7.880 1.00 0.00 O ATOM 355 CB ALA A 26 1.845 16.949 7.390 1.00 0.00 C ATOM 0 H ALA A 26 2.280 16.694 4.939 1.00 0.00 H new ATOM 0 HA ALA A 26 1.794 18.977 6.646 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.813 17.247 8.438 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.836 16.720 7.047 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.474 16.065 7.283 1.00 0.00 H new ATOM 361 N SER A 27 4.826 17.734 6.575 1.00 0.00 N ATOM 362 CA SER A 27 6.215 18.010 7.040 1.00 0.00 C ATOM 363 C SER A 27 6.611 19.448 6.690 1.00 0.00 C ATOM 364 O SER A 27 7.449 20.044 7.339 1.00 0.00 O ATOM 365 CB SER A 27 7.180 17.040 6.357 1.00 0.00 C ATOM 366 OG SER A 27 7.228 17.322 4.966 1.00 0.00 O ATOM 0 H SER A 27 4.740 16.991 5.882 1.00 0.00 H new ATOM 0 HA SER A 27 6.261 17.879 8.121 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.175 17.133 6.792 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.855 16.012 6.520 1.00 0.00 H new ATOM 0 HG SER A 27 6.318 17.450 4.627 1.00 0.00 H new ATOM 372 N ASN A 28 6.030 20.008 5.666 1.00 0.00 N ATOM 373 CA ASN A 28 6.391 21.401 5.275 1.00 0.00 C ATOM 374 C ASN A 28 5.273 22.372 5.668 1.00 0.00 C ATOM 375 O ASN A 28 5.301 23.533 5.314 1.00 0.00 O ATOM 376 CB ASN A 28 6.607 21.462 3.762 1.00 0.00 C ATOM 377 CG ASN A 28 7.757 20.531 3.373 1.00 0.00 C ATOM 378 OD1 ASN A 28 8.813 20.464 4.137 1.00 0.00 O flip ATOM 379 ND2 ASN A 28 7.694 19.857 2.364 1.00 0.00 N flip ATOM 0 H ASN A 28 5.321 19.563 5.083 1.00 0.00 H new ATOM 0 HA ASN A 28 7.306 21.688 5.793 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.695 21.168 3.242 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.833 22.484 3.457 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.869 19.909 1.767 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.466 19.239 2.114 1.00 0.00 H new ATOM 386 N THR A 29 4.283 21.913 6.384 1.00 0.00 N ATOM 387 CA THR A 29 3.174 22.828 6.774 1.00 0.00 C ATOM 388 C THR A 29 3.460 23.457 8.140 1.00 0.00 C ATOM 389 O THR A 29 3.860 24.600 8.233 1.00 0.00 O ATOM 390 CB THR A 29 1.858 22.049 6.837 1.00 0.00 C ATOM 391 OG1 THR A 29 1.690 21.308 5.638 1.00 0.00 O ATOM 392 CG2 THR A 29 0.700 23.032 7.002 1.00 0.00 C ATOM 0 H THR A 29 4.194 20.952 6.713 1.00 0.00 H new ATOM 0 HA THR A 29 3.095 23.619 6.028 1.00 0.00 H new ATOM 0 HB THR A 29 1.876 21.363 7.684 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.423 20.664 5.546 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.240 22.482 7.047 1.00 0.00 H new ATOM 0 HG22 THR A 29 0.833 23.600 7.923 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.680 23.716 6.154 1.00 0.00 H new ATOM 400 N GLY A 30 3.249 22.727 9.201 1.00 0.00 N ATOM 401 CA GLY A 30 3.500 23.294 10.555 1.00 0.00 C ATOM 402 C GLY A 30 4.986 23.188 10.890 1.00 0.00 C ATOM 403 O GLY A 30 5.800 23.943 10.397 1.00 0.00 O ATOM 0 H GLY A 30 2.914 21.764 9.188 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.183 24.337 10.588 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.910 22.758 11.299 1.00 0.00 H new ATOM 407 N SER A 31 5.345 22.258 11.730 1.00 0.00 N ATOM 408 CA SER A 31 6.779 22.103 12.101 1.00 0.00 C ATOM 409 C SER A 31 7.183 20.635 11.960 1.00 0.00 C ATOM 410 O SER A 31 8.055 20.296 11.186 1.00 0.00 O ATOM 411 CB SER A 31 6.981 22.550 13.550 1.00 0.00 C ATOM 412 OG SER A 31 7.998 21.762 14.152 1.00 0.00 O ATOM 0 H SER A 31 4.707 21.598 12.176 1.00 0.00 H new ATOM 0 HA SER A 31 7.395 22.716 11.443 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.257 23.604 13.581 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.049 22.447 14.107 1.00 0.00 H new ATOM 0 HG SER A 31 8.128 22.049 15.080 1.00 0.00 H new ATOM 418 N PHE A 32 6.557 19.764 12.703 1.00 0.00 N ATOM 419 CA PHE A 32 6.908 18.321 12.610 1.00 0.00 C ATOM 420 C PHE A 32 8.431 18.175 12.581 1.00 0.00 C ATOM 421 O PHE A 32 9.033 18.059 11.532 1.00 0.00 O ATOM 422 CB PHE A 32 6.311 17.731 11.330 1.00 0.00 C ATOM 423 CG PHE A 32 4.883 17.306 11.585 1.00 0.00 C ATOM 424 CD1 PHE A 32 4.586 16.473 12.672 1.00 0.00 C ATOM 425 CD2 PHE A 32 3.855 17.737 10.733 1.00 0.00 C ATOM 426 CE1 PHE A 32 3.266 16.071 12.906 1.00 0.00 C ATOM 427 CE2 PHE A 32 2.536 17.335 10.970 1.00 0.00 C ATOM 428 CZ PHE A 32 2.241 16.501 12.056 1.00 0.00 C ATOM 0 H PHE A 32 5.819 19.990 13.369 1.00 0.00 H new ATOM 0 HA PHE A 32 6.506 17.789 13.472 1.00 0.00 H new ATOM 0 HB2 PHE A 32 6.344 18.468 10.528 1.00 0.00 H new ATOM 0 HB3 PHE A 32 6.902 16.876 11.001 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.376 16.141 13.329 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.082 18.379 9.895 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.038 15.428 13.743 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.745 17.668 10.315 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.223 16.190 12.237 1.00 0.00 H new ATOM 438 N SER A 33 9.058 18.187 13.725 1.00 0.00 N ATOM 439 CA SER A 33 10.543 18.056 13.763 1.00 0.00 C ATOM 440 C SER A 33 10.960 16.732 13.122 1.00 0.00 C ATOM 441 O SER A 33 10.146 15.861 12.885 1.00 0.00 O ATOM 442 CB SER A 33 11.019 18.090 15.218 1.00 0.00 C ATOM 443 OG SER A 33 10.509 19.252 15.855 1.00 0.00 O ATOM 0 H SER A 33 8.607 18.282 14.635 1.00 0.00 H new ATOM 0 HA SER A 33 10.993 18.881 13.211 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.682 17.196 15.743 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.108 18.090 15.256 1.00 0.00 H new ATOM 0 HG SER A 33 10.812 19.274 16.787 1.00 0.00 H new ATOM 449 N GLN A 34 12.224 16.572 12.839 1.00 0.00 N ATOM 450 CA GLN A 34 12.693 15.304 12.213 1.00 0.00 C ATOM 451 C GLN A 34 12.205 14.119 13.047 1.00 0.00 C ATOM 452 O GLN A 34 11.737 13.129 12.522 1.00 0.00 O ATOM 453 CB GLN A 34 14.221 15.295 12.157 1.00 0.00 C ATOM 454 CG GLN A 34 14.689 14.256 11.136 1.00 0.00 C ATOM 455 CD GLN A 34 16.218 14.259 11.070 1.00 0.00 C ATOM 456 OE1 GLN A 34 16.857 15.170 11.557 1.00 0.00 O ATOM 457 NE2 GLN A 34 16.836 13.271 10.483 1.00 0.00 N ATOM 0 H GLN A 34 12.952 17.265 13.014 1.00 0.00 H new ATOM 0 HA GLN A 34 12.295 15.228 11.201 1.00 0.00 H new ATOM 0 HB2 GLN A 34 14.591 16.283 11.882 1.00 0.00 H new ATOM 0 HB3 GLN A 34 14.630 15.064 13.141 1.00 0.00 H new ATOM 0 HG2 GLN A 34 14.328 13.266 11.417 1.00 0.00 H new ATOM 0 HG3 GLN A 34 14.271 14.481 10.155 1.00 0.00 H new ATOM 0 HE21 GLN A 34 16.300 12.506 10.074 1.00 0.00 H new ATOM 0 HE22 GLN A 34 17.855 13.264 10.433 1.00 0.00 H new ATOM 466 N ASP A 35 12.307 14.212 14.344 1.00 0.00 N ATOM 467 CA ASP A 35 11.844 13.092 15.209 1.00 0.00 C ATOM 468 C ASP A 35 10.377 12.792 14.897 1.00 0.00 C ATOM 469 O ASP A 35 9.951 11.654 14.901 1.00 0.00 O ATOM 470 CB ASP A 35 11.982 13.490 16.680 1.00 0.00 C ATOM 471 CG ASP A 35 13.462 13.521 17.064 1.00 0.00 C ATOM 472 OD1 ASP A 35 14.274 13.127 16.243 1.00 0.00 O ATOM 473 OD2 ASP A 35 13.759 13.940 18.171 1.00 0.00 O ATOM 0 H ASP A 35 12.691 15.015 14.842 1.00 0.00 H new ATOM 0 HA ASP A 35 12.450 12.206 15.018 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.532 14.469 16.847 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.446 12.781 17.311 1.00 0.00 H new ATOM 478 N GLN A 36 9.602 13.805 14.622 1.00 0.00 N ATOM 479 CA GLN A 36 8.164 13.578 14.305 1.00 0.00 C ATOM 480 C GLN A 36 8.041 13.039 12.879 1.00 0.00 C ATOM 481 O GLN A 36 7.193 12.219 12.586 1.00 0.00 O ATOM 482 CB GLN A 36 7.404 14.902 14.421 1.00 0.00 C ATOM 483 CG GLN A 36 7.669 15.521 15.794 1.00 0.00 C ATOM 484 CD GLN A 36 7.296 14.515 16.886 1.00 0.00 C ATOM 485 OE1 GLN A 36 6.212 13.966 16.877 1.00 0.00 O ATOM 486 NE2 GLN A 36 8.154 14.249 17.832 1.00 0.00 N ATOM 0 H GLN A 36 9.902 14.780 14.603 1.00 0.00 H new ATOM 0 HA GLN A 36 7.742 12.856 15.004 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.721 15.586 13.634 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.336 14.734 14.286 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.719 15.799 15.883 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.087 16.435 15.912 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.064 14.710 17.840 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.915 13.580 18.564 1.00 0.00 H new ATOM 495 N MET A 37 8.884 13.491 11.991 1.00 0.00 N ATOM 496 CA MET A 37 8.818 13.001 10.586 1.00 0.00 C ATOM 497 C MET A 37 9.115 11.502 10.561 1.00 0.00 C ATOM 498 O MET A 37 8.493 10.748 9.839 1.00 0.00 O ATOM 499 CB MET A 37 9.852 13.744 9.738 1.00 0.00 C ATOM 500 CG MET A 37 9.441 15.212 9.606 1.00 0.00 C ATOM 501 SD MET A 37 10.537 16.043 8.430 1.00 0.00 S ATOM 502 CE MET A 37 9.748 17.670 8.495 1.00 0.00 C ATOM 0 H MET A 37 9.615 14.178 12.178 1.00 0.00 H new ATOM 0 HA MET A 37 7.823 13.182 10.180 1.00 0.00 H new ATOM 0 HB2 MET A 37 10.837 13.671 10.199 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.927 13.286 8.752 1.00 0.00 H new ATOM 0 HG2 MET A 37 8.407 15.282 9.268 1.00 0.00 H new ATOM 0 HG3 MET A 37 9.493 15.704 10.577 1.00 0.00 H new ATOM 0 HE1 MET A 37 9.886 18.180 7.541 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.683 17.550 8.692 1.00 0.00 H new ATOM 0 HE3 MET A 37 10.200 18.262 9.291 1.00 0.00 H new ATOM 512 N GLU A 38 10.057 11.061 11.350 1.00 0.00 N ATOM 513 CA GLU A 38 10.386 9.609 11.373 1.00 0.00 C ATOM 514 C GLU A 38 9.127 8.818 11.728 1.00 0.00 C ATOM 515 O GLU A 38 8.833 7.799 11.133 1.00 0.00 O ATOM 516 CB GLU A 38 11.467 9.346 12.423 1.00 0.00 C ATOM 517 CG GLU A 38 11.872 7.871 12.381 1.00 0.00 C ATOM 518 CD GLU A 38 12.640 7.589 11.088 1.00 0.00 C ATOM 519 OE1 GLU A 38 13.195 8.524 10.536 1.00 0.00 O ATOM 520 OE2 GLU A 38 12.660 6.441 10.673 1.00 0.00 O ATOM 0 H GLU A 38 10.611 11.643 11.978 1.00 0.00 H new ATOM 0 HA GLU A 38 10.752 9.299 10.394 1.00 0.00 H new ATOM 0 HB2 GLU A 38 12.335 9.978 12.233 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.096 9.604 13.415 1.00 0.00 H new ATOM 0 HG2 GLU A 38 12.491 7.628 13.245 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.986 7.238 12.436 1.00 0.00 H new ATOM 527 N ASN A 39 8.376 9.281 12.690 1.00 0.00 N ATOM 528 CA ASN A 39 7.133 8.558 13.077 1.00 0.00 C ATOM 529 C ASN A 39 6.229 8.427 11.854 1.00 0.00 C ATOM 530 O ASN A 39 5.610 7.405 11.630 1.00 0.00 O ATOM 531 CB ASN A 39 6.404 9.342 14.171 1.00 0.00 C ATOM 532 CG ASN A 39 7.308 9.459 15.401 1.00 0.00 C ATOM 533 OD1 ASN A 39 8.154 8.618 15.629 1.00 0.00 O ATOM 534 ND2 ASN A 39 7.162 10.475 16.207 1.00 0.00 N ATOM 0 H ASN A 39 8.570 10.128 13.224 1.00 0.00 H new ATOM 0 HA ASN A 39 7.387 7.567 13.453 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.137 10.334 13.806 1.00 0.00 H new ATOM 0 HB3 ASN A 39 5.474 8.839 14.436 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.759 10.563 17.029 1.00 0.00 H new ATOM 0 HD22 ASN A 39 6.451 11.181 16.014 1.00 0.00 H new ATOM 541 N MET A 40 6.155 9.454 11.055 1.00 0.00 N ATOM 542 CA MET A 40 5.298 9.390 9.838 1.00 0.00 C ATOM 543 C MET A 40 5.761 8.224 8.967 1.00 0.00 C ATOM 544 O MET A 40 4.976 7.591 8.288 1.00 0.00 O ATOM 545 CB MET A 40 5.425 10.698 9.055 1.00 0.00 C ATOM 546 CG MET A 40 5.017 11.869 9.949 1.00 0.00 C ATOM 547 SD MET A 40 3.249 11.759 10.319 1.00 0.00 S ATOM 548 CE MET A 40 2.663 11.688 8.608 1.00 0.00 C ATOM 0 H MET A 40 6.651 10.335 11.192 1.00 0.00 H new ATOM 0 HA MET A 40 4.257 9.244 10.125 1.00 0.00 H new ATOM 0 HB2 MET A 40 6.451 10.830 8.710 1.00 0.00 H new ATOM 0 HB3 MET A 40 4.792 10.666 8.168 1.00 0.00 H new ATOM 0 HG2 MET A 40 5.594 11.853 10.873 1.00 0.00 H new ATOM 0 HG3 MET A 40 5.237 12.814 9.452 1.00 0.00 H new ATOM 0 HE1 MET A 40 1.626 12.021 8.564 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.279 12.337 7.985 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.731 10.663 8.242 1.00 0.00 H new ATOM 558 N SER A 41 7.031 7.932 8.986 1.00 0.00 N ATOM 559 CA SER A 41 7.552 6.804 8.166 1.00 0.00 C ATOM 560 C SER A 41 7.065 5.481 8.759 1.00 0.00 C ATOM 561 O SER A 41 6.972 4.480 8.076 1.00 0.00 O ATOM 562 CB SER A 41 9.081 6.834 8.167 1.00 0.00 C ATOM 563 OG SER A 41 9.574 5.848 7.272 1.00 0.00 O ATOM 0 H SER A 41 7.733 8.428 9.536 1.00 0.00 H new ATOM 0 HA SER A 41 7.191 6.900 7.142 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.436 7.821 7.870 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.458 6.649 9.173 1.00 0.00 H new ATOM 0 HG SER A 41 10.554 5.868 7.271 1.00 0.00 H new ATOM 569 N LEU A 42 6.751 5.468 10.026 1.00 0.00 N ATOM 570 CA LEU A 42 6.268 4.210 10.660 1.00 0.00 C ATOM 571 C LEU A 42 4.743 4.163 10.581 1.00 0.00 C ATOM 572 O LEU A 42 4.132 3.125 10.745 1.00 0.00 O ATOM 573 CB LEU A 42 6.707 4.172 12.126 1.00 0.00 C ATOM 574 CG LEU A 42 8.222 4.365 12.210 1.00 0.00 C ATOM 575 CD1 LEU A 42 8.667 4.292 13.672 1.00 0.00 C ATOM 576 CD2 LEU A 42 8.921 3.265 11.408 1.00 0.00 C ATOM 0 H LEU A 42 6.808 6.274 10.648 1.00 0.00 H new ATOM 0 HA LEU A 42 6.689 3.351 10.137 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.198 4.954 12.689 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.425 3.220 12.576 1.00 0.00 H new ATOM 0 HG LEU A 42 8.487 5.339 11.799 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.747 4.430 13.731 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.170 5.076 14.243 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.402 3.319 14.085 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.001 3.402 11.467 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.656 2.291 11.819 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.605 3.318 10.366 1.00 0.00 H new ATOM 588 N ILE A 43 4.125 5.283 10.326 1.00 0.00 N ATOM 589 CA ILE A 43 2.640 5.312 10.230 1.00 0.00 C ATOM 590 C ILE A 43 2.236 5.783 8.833 1.00 0.00 C ATOM 591 O ILE A 43 3.046 6.293 8.082 1.00 0.00 O ATOM 592 CB ILE A 43 2.083 6.278 11.278 1.00 0.00 C ATOM 593 CG1 ILE A 43 2.249 5.671 12.673 1.00 0.00 C ATOM 594 CG2 ILE A 43 0.599 6.530 11.006 1.00 0.00 C ATOM 595 CD1 ILE A 43 1.802 6.686 13.727 1.00 0.00 C ATOM 0 H ILE A 43 4.586 6.181 10.180 1.00 0.00 H new ATOM 0 HA ILE A 43 2.239 4.314 10.408 1.00 0.00 H new ATOM 0 HB ILE A 43 2.627 7.221 11.225 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.658 4.759 12.757 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.290 5.393 12.839 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.204 7.218 11.753 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.480 6.964 10.013 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.054 5.587 11.057 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.920 6.254 14.721 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.412 7.586 13.647 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.755 6.942 13.565 1.00 0.00 H new ATOM 607 N GLY A 44 0.995 5.617 8.472 1.00 0.00 N ATOM 608 CA GLY A 44 0.552 6.055 7.120 1.00 0.00 C ATOM 609 C GLY A 44 1.202 5.160 6.066 1.00 0.00 C ATOM 610 O GLY A 44 0.604 4.218 5.582 1.00 0.00 O ATOM 0 H GLY A 44 0.269 5.198 9.053 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.534 5.998 7.043 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.829 7.096 6.952 1.00 0.00 H new ATOM 614 N ASN A 45 2.425 5.440 5.709 1.00 0.00 N ATOM 615 CA ASN A 45 3.110 4.596 4.692 1.00 0.00 C ATOM 616 C ASN A 45 3.062 3.135 5.142 1.00 0.00 C ATOM 617 O ASN A 45 2.848 2.237 4.353 1.00 0.00 O ATOM 618 CB ASN A 45 4.566 5.042 4.550 1.00 0.00 C ATOM 619 CG ASN A 45 4.615 6.424 3.897 1.00 0.00 C ATOM 620 OD1 ASN A 45 3.631 6.889 3.357 1.00 0.00 O ATOM 621 ND2 ASN A 45 5.726 7.106 3.924 1.00 0.00 N ATOM 0 H ASN A 45 2.978 6.214 6.077 1.00 0.00 H new ATOM 0 HA ASN A 45 2.609 4.701 3.730 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.045 5.073 5.529 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.120 4.323 3.947 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.768 8.029 3.492 1.00 0.00 H new ATOM 0 HD22 ASN A 45 6.553 6.716 4.377 1.00 0.00 H new ATOM 628 N THR A 46 3.252 2.892 6.411 1.00 0.00 N ATOM 629 CA THR A 46 3.208 1.493 6.915 1.00 0.00 C ATOM 630 C THR A 46 1.830 0.902 6.621 1.00 0.00 C ATOM 631 O THR A 46 1.693 -0.269 6.324 1.00 0.00 O ATOM 632 CB THR A 46 3.456 1.485 8.425 1.00 0.00 C ATOM 633 OG1 THR A 46 4.690 2.134 8.703 1.00 0.00 O ATOM 634 CG2 THR A 46 3.511 0.042 8.928 1.00 0.00 C ATOM 0 H THR A 46 3.436 3.603 7.119 1.00 0.00 H new ATOM 0 HA THR A 46 3.977 0.899 6.422 1.00 0.00 H new ATOM 0 HB THR A 46 2.646 2.011 8.930 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.878 2.081 9.663 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.688 0.038 10.004 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.564 -0.454 8.714 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.320 -0.488 8.425 1.00 0.00 H new ATOM 642 N LEU A 47 0.806 1.708 6.696 1.00 0.00 N ATOM 643 CA LEU A 47 -0.566 1.201 6.416 1.00 0.00 C ATOM 644 C LEU A 47 -0.590 0.553 5.031 1.00 0.00 C ATOM 645 O LEU A 47 -1.256 -0.438 4.810 1.00 0.00 O ATOM 646 CB LEU A 47 -1.556 2.366 6.449 1.00 0.00 C ATOM 647 CG LEU A 47 -1.569 2.986 7.847 1.00 0.00 C ATOM 648 CD1 LEU A 47 -2.713 4.000 7.944 1.00 0.00 C ATOM 649 CD2 LEU A 47 -1.772 1.887 8.891 1.00 0.00 C ATOM 0 H LEU A 47 0.861 2.697 6.940 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.846 0.466 7.170 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.276 3.116 5.710 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.554 2.016 6.186 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.620 3.489 8.030 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.723 4.443 8.940 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.569 4.784 7.200 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.662 3.496 7.761 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.781 2.329 9.887 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.721 1.383 8.709 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.959 1.165 8.822 1.00 0.00 H new ATOM 661 N MET A 48 0.133 1.105 4.096 1.00 0.00 N ATOM 662 CA MET A 48 0.149 0.519 2.727 1.00 0.00 C ATOM 663 C MET A 48 0.495 -0.967 2.819 1.00 0.00 C ATOM 664 O MET A 48 -0.111 -1.795 2.168 1.00 0.00 O ATOM 665 CB MET A 48 1.193 1.237 1.873 1.00 0.00 C ATOM 666 CG MET A 48 1.187 0.650 0.461 1.00 0.00 C ATOM 667 SD MET A 48 2.565 1.345 -0.486 1.00 0.00 S ATOM 668 CE MET A 48 3.879 0.358 0.269 1.00 0.00 C ATOM 0 H MET A 48 0.712 1.935 4.221 1.00 0.00 H new ATOM 0 HA MET A 48 -0.832 0.638 2.268 1.00 0.00 H new ATOM 0 HB2 MET A 48 0.976 2.305 1.836 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.181 1.128 2.320 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.274 -0.436 0.506 1.00 0.00 H new ATOM 0 HG3 MET A 48 0.242 0.874 -0.034 1.00 0.00 H new ATOM 0 HE1 MET A 48 4.593 1.018 0.761 1.00 0.00 H new ATOM 0 HE2 MET A 48 3.447 -0.321 1.004 1.00 0.00 H new ATOM 0 HE3 MET A 48 4.390 -0.219 -0.502 1.00 0.00 H new ATOM 678 N ALA A 49 1.457 -1.315 3.628 1.00 0.00 N ATOM 679 CA ALA A 49 1.824 -2.751 3.761 1.00 0.00 C ATOM 680 C ALA A 49 0.612 -3.518 4.282 1.00 0.00 C ATOM 681 O ALA A 49 0.364 -4.645 3.903 1.00 0.00 O ATOM 682 CB ALA A 49 2.983 -2.895 4.750 1.00 0.00 C ATOM 0 H ALA A 49 2.002 -0.670 4.200 1.00 0.00 H new ATOM 0 HA ALA A 49 2.130 -3.148 2.793 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.251 -3.947 4.846 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.844 -2.334 4.386 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.681 -2.507 5.723 1.00 0.00 H new ATOM 688 N ALA A 50 -0.157 -2.902 5.139 1.00 0.00 N ATOM 689 CA ALA A 50 -1.366 -3.582 5.677 1.00 0.00 C ATOM 690 C ALA A 50 -2.322 -3.872 4.522 1.00 0.00 C ATOM 691 O ALA A 50 -3.153 -4.756 4.594 1.00 0.00 O ATOM 692 CB ALA A 50 -2.053 -2.665 6.691 1.00 0.00 C ATOM 0 H ALA A 50 0.001 -1.957 5.489 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.084 -4.514 6.167 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.939 -3.160 7.087 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.365 -2.445 7.507 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.345 -1.736 6.202 1.00 0.00 H new ATOM 698 N MET A 51 -2.206 -3.133 3.453 1.00 0.00 N ATOM 699 CA MET A 51 -3.101 -3.364 2.287 1.00 0.00 C ATOM 700 C MET A 51 -3.007 -4.829 1.864 1.00 0.00 C ATOM 701 O MET A 51 -3.967 -5.418 1.414 1.00 0.00 O ATOM 702 CB MET A 51 -2.667 -2.467 1.127 1.00 0.00 C ATOM 703 CG MET A 51 -2.841 -1.000 1.526 1.00 0.00 C ATOM 704 SD MET A 51 -4.567 -0.700 1.982 1.00 0.00 S ATOM 705 CE MET A 51 -4.253 0.579 3.223 1.00 0.00 C ATOM 0 H MET A 51 -1.529 -2.379 3.338 1.00 0.00 H new ATOM 0 HA MET A 51 -4.129 -3.128 2.560 1.00 0.00 H new ATOM 0 HB2 MET A 51 -1.626 -2.664 0.870 1.00 0.00 H new ATOM 0 HB3 MET A 51 -3.262 -2.687 0.240 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.185 -0.759 2.363 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.554 -0.350 0.699 1.00 0.00 H new ATOM 0 HE1 MET A 51 -5.200 0.917 3.645 1.00 0.00 H new ATOM 0 HE2 MET A 51 -3.627 0.170 4.016 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.743 1.422 2.756 1.00 0.00 H new ATOM 876 N LEU A 63 -11.970 -0.794 4.638 1.00 0.00 N ATOM 877 CA LEU A 63 -11.133 0.422 4.435 1.00 0.00 C ATOM 878 C LEU A 63 -11.702 1.585 5.250 1.00 0.00 C ATOM 879 O LEU A 63 -10.972 2.339 5.858 1.00 0.00 O ATOM 880 CB LEU A 63 -11.125 0.794 2.954 1.00 0.00 C ATOM 881 CG LEU A 63 -9.879 0.204 2.296 1.00 0.00 C ATOM 882 CD1 LEU A 63 -9.869 -1.314 2.494 1.00 0.00 C ATOM 883 CD2 LEU A 63 -9.895 0.526 0.803 1.00 0.00 C ATOM 0 HA LEU A 63 -10.115 0.216 4.765 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.023 0.415 2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.133 1.878 2.839 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.986 0.634 2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.980 -1.736 2.025 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.860 -1.542 3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.760 -1.746 2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.007 0.106 0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.786 0.095 0.347 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.903 1.607 0.664 1.00 0.00 H new ATOM 895 N GLN A 64 -12.996 1.736 5.270 1.00 0.00 N ATOM 896 CA GLN A 64 -13.593 2.855 6.053 1.00 0.00 C ATOM 897 C GLN A 64 -13.085 2.779 7.492 1.00 0.00 C ATOM 898 O GLN A 64 -12.799 3.782 8.114 1.00 0.00 O ATOM 899 CB GLN A 64 -15.119 2.740 6.043 1.00 0.00 C ATOM 900 CG GLN A 64 -15.663 3.299 4.726 1.00 0.00 C ATOM 901 CD GLN A 64 -17.132 2.901 4.568 1.00 0.00 C ATOM 902 OE1 GLN A 64 -17.646 2.112 5.336 1.00 0.00 O ATOM 903 NE2 GLN A 64 -17.832 3.418 3.597 1.00 0.00 N ATOM 0 H GLN A 64 -13.663 1.138 4.782 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.306 3.807 5.607 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.417 1.698 6.159 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -15.541 3.288 6.885 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -15.566 4.385 4.712 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -15.080 2.917 3.888 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -17.399 4.080 2.953 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -18.812 3.160 3.481 1.00 0.00 H new ATOM 912 N ALA A 65 -12.956 1.593 8.022 1.00 0.00 N ATOM 913 CA ALA A 65 -12.449 1.455 9.413 1.00 0.00 C ATOM 914 C ALA A 65 -10.957 1.789 9.426 1.00 0.00 C ATOM 915 O ALA A 65 -10.443 2.357 10.369 1.00 0.00 O ATOM 916 CB ALA A 65 -12.657 0.018 9.896 1.00 0.00 C ATOM 0 H ALA A 65 -13.180 0.716 7.551 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.988 2.134 10.074 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.285 -0.081 10.916 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -13.720 -0.223 9.873 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -12.115 -0.667 9.244 1.00 0.00 H new ATOM 922 N LEU A 66 -10.262 1.446 8.376 1.00 0.00 N ATOM 923 CA LEU A 66 -8.805 1.748 8.310 1.00 0.00 C ATOM 924 C LEU A 66 -8.614 3.245 8.059 1.00 0.00 C ATOM 925 O LEU A 66 -7.783 3.886 8.671 1.00 0.00 O ATOM 926 CB LEU A 66 -8.169 0.952 7.168 1.00 0.00 C ATOM 927 CG LEU A 66 -6.652 1.147 7.195 1.00 0.00 C ATOM 928 CD1 LEU A 66 -5.969 -0.082 6.591 1.00 0.00 C ATOM 929 CD2 LEU A 66 -6.284 2.388 6.379 1.00 0.00 C ATOM 0 H LEU A 66 -10.642 0.968 7.559 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.329 1.470 9.251 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.412 -0.106 7.268 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.572 1.283 6.211 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.320 1.277 8.225 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.888 0.056 6.610 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.232 -0.966 7.171 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.300 -0.213 5.561 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.203 2.528 6.397 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.616 2.258 5.349 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.771 3.264 6.809 1.00 0.00 H new ATOM 941 N ASP A 67 -9.380 3.806 7.162 1.00 0.00 N ATOM 942 CA ASP A 67 -9.244 5.261 6.871 1.00 0.00 C ATOM 943 C ASP A 67 -9.215 6.049 8.183 1.00 0.00 C ATOM 944 O ASP A 67 -8.467 6.994 8.334 1.00 0.00 O ATOM 945 CB ASP A 67 -10.439 5.724 6.037 1.00 0.00 C ATOM 946 CG ASP A 67 -10.136 7.096 5.432 1.00 0.00 C ATOM 947 OD1 ASP A 67 -8.967 7.409 5.278 1.00 0.00 O ATOM 948 OD2 ASP A 67 -11.079 7.811 5.134 1.00 0.00 O ATOM 0 H ASP A 67 -10.093 3.319 6.619 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.319 5.433 6.322 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.645 5.003 5.246 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -11.332 5.778 6.660 1.00 0.00 H new ATOM 953 N MET A 68 -10.028 5.671 9.133 1.00 0.00 N ATOM 954 CA MET A 68 -10.049 6.402 10.432 1.00 0.00 C ATOM 955 C MET A 68 -8.731 6.171 11.177 1.00 0.00 C ATOM 956 O MET A 68 -8.271 7.016 11.918 1.00 0.00 O ATOM 957 CB MET A 68 -11.213 5.893 11.284 1.00 0.00 C ATOM 958 CG MET A 68 -12.537 6.244 10.602 1.00 0.00 C ATOM 959 SD MET A 68 -13.914 5.775 11.679 1.00 0.00 S ATOM 960 CE MET A 68 -13.582 6.964 13.002 1.00 0.00 C ATOM 0 H MET A 68 -10.678 4.888 9.065 1.00 0.00 H new ATOM 0 HA MET A 68 -10.174 7.468 10.244 1.00 0.00 H new ATOM 0 HB2 MET A 68 -11.135 4.814 11.417 1.00 0.00 H new ATOM 0 HB3 MET A 68 -11.173 6.341 12.277 1.00 0.00 H new ATOM 0 HG2 MET A 68 -12.576 7.312 10.388 1.00 0.00 H new ATOM 0 HG3 MET A 68 -12.615 5.725 9.647 1.00 0.00 H new ATOM 0 HE1 MET A 68 -14.519 7.241 13.485 1.00 0.00 H new ATOM 0 HE2 MET A 68 -12.914 6.514 13.736 1.00 0.00 H new ATOM 0 HE3 MET A 68 -13.113 7.854 12.582 1.00 0.00 H new ATOM 970 N ALA A 69 -8.120 5.033 10.987 1.00 0.00 N ATOM 971 CA ALA A 69 -6.833 4.753 11.688 1.00 0.00 C ATOM 972 C ALA A 69 -5.758 5.717 11.182 1.00 0.00 C ATOM 973 O ALA A 69 -5.004 6.280 11.950 1.00 0.00 O ATOM 974 CB ALA A 69 -6.398 3.314 11.402 1.00 0.00 C ATOM 0 H ALA A 69 -8.455 4.286 10.378 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.968 4.886 12.761 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.458 3.110 11.914 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.163 2.625 11.759 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.263 3.181 10.329 1.00 0.00 H new ATOM 980 N PHE A 70 -5.682 5.907 9.895 1.00 0.00 N ATOM 981 CA PHE A 70 -4.656 6.830 9.334 1.00 0.00 C ATOM 982 C PHE A 70 -4.780 8.204 9.999 1.00 0.00 C ATOM 983 O PHE A 70 -3.798 8.815 10.370 1.00 0.00 O ATOM 984 CB PHE A 70 -4.872 6.974 7.828 1.00 0.00 C ATOM 985 CG PHE A 70 -3.878 7.961 7.269 1.00 0.00 C ATOM 986 CD1 PHE A 70 -2.528 7.608 7.165 1.00 0.00 C ATOM 987 CD2 PHE A 70 -4.304 9.229 6.857 1.00 0.00 C ATOM 988 CE1 PHE A 70 -1.603 8.522 6.647 1.00 0.00 C ATOM 989 CE2 PHE A 70 -3.379 10.143 6.339 1.00 0.00 C ATOM 990 CZ PHE A 70 -2.028 9.789 6.235 1.00 0.00 C ATOM 0 H PHE A 70 -6.288 5.462 9.205 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.662 6.424 9.525 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.755 6.007 7.339 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.889 7.312 7.626 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.200 6.630 7.485 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.346 9.502 6.939 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.561 8.249 6.566 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.707 11.121 6.020 1.00 0.00 H new ATOM 0 HZ PHE A 70 -1.314 10.495 5.836 1.00 0.00 H new ATOM 1000 N ALA A 71 -5.979 8.695 10.146 1.00 0.00 N ATOM 1001 CA ALA A 71 -6.167 10.031 10.779 1.00 0.00 C ATOM 1002 C ALA A 71 -5.847 9.947 12.274 1.00 0.00 C ATOM 1003 O ALA A 71 -5.271 10.850 12.847 1.00 0.00 O ATOM 1004 CB ALA A 71 -7.618 10.478 10.594 1.00 0.00 C ATOM 0 H ALA A 71 -6.838 8.228 9.855 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.497 10.751 10.309 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.759 11.455 11.056 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.846 10.543 9.530 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.284 9.755 11.064 1.00 0.00 H new ATOM 1010 N SER A 72 -6.222 8.873 12.910 1.00 0.00 N ATOM 1011 CA SER A 72 -5.947 8.735 14.370 1.00 0.00 C ATOM 1012 C SER A 72 -4.444 8.561 14.605 1.00 0.00 C ATOM 1013 O SER A 72 -3.897 9.051 15.573 1.00 0.00 O ATOM 1014 CB SER A 72 -6.689 7.513 14.915 1.00 0.00 C ATOM 1015 OG SER A 72 -6.550 7.465 16.327 1.00 0.00 O ATOM 0 H SER A 72 -6.707 8.084 12.483 1.00 0.00 H new ATOM 0 HA SER A 72 -6.289 9.633 14.884 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.744 7.564 14.644 1.00 0.00 H new ATOM 0 HB3 SER A 72 -6.289 6.603 14.468 1.00 0.00 H new ATOM 0 HG SER A 72 -7.027 6.683 16.676 1.00 0.00 H new ATOM 1021 N SER A 73 -3.771 7.860 13.733 1.00 0.00 N ATOM 1022 CA SER A 73 -2.308 7.650 13.916 1.00 0.00 C ATOM 1023 C SER A 73 -1.559 8.963 13.682 1.00 0.00 C ATOM 1024 O SER A 73 -0.677 9.328 14.432 1.00 0.00 O ATOM 1025 CB SER A 73 -1.818 6.595 12.923 1.00 0.00 C ATOM 1026 OG SER A 73 -1.899 7.114 11.603 1.00 0.00 O ATOM 0 H SER A 73 -4.172 7.424 12.902 1.00 0.00 H new ATOM 0 HA SER A 73 -2.118 7.309 14.934 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.790 6.314 13.152 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.422 5.692 13.008 1.00 0.00 H new ATOM 0 HG SER A 73 -2.766 7.554 11.477 1.00 0.00 H new ATOM 1032 N VAL A 74 -1.901 9.671 12.644 1.00 0.00 N ATOM 1033 CA VAL A 74 -1.205 10.958 12.358 1.00 0.00 C ATOM 1034 C VAL A 74 -1.471 11.952 13.491 1.00 0.00 C ATOM 1035 O VAL A 74 -0.624 12.749 13.843 1.00 0.00 O ATOM 1036 CB VAL A 74 -1.722 11.537 11.039 1.00 0.00 C ATOM 1037 CG1 VAL A 74 -1.663 10.463 9.952 1.00 0.00 C ATOM 1038 CG2 VAL A 74 -3.168 12.003 11.218 1.00 0.00 C ATOM 0 H VAL A 74 -2.632 9.416 11.980 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.133 10.778 12.281 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.101 12.384 10.747 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.031 10.875 9.013 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.633 10.132 9.824 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.283 9.615 10.244 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.536 12.415 10.279 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.789 11.157 11.511 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.210 12.769 11.992 1.00 0.00 H new ATOM 1048 N ALA A 75 -2.644 11.915 14.062 1.00 0.00 N ATOM 1049 CA ALA A 75 -2.964 12.860 15.169 1.00 0.00 C ATOM 1050 C ALA A 75 -2.066 12.570 16.374 1.00 0.00 C ATOM 1051 O ALA A 75 -1.603 13.469 17.046 1.00 0.00 O ATOM 1052 CB ALA A 75 -4.429 12.691 15.575 1.00 0.00 C ATOM 0 H ALA A 75 -3.394 11.272 13.810 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.793 13.882 14.830 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.664 13.382 16.385 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.070 12.903 14.720 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.598 11.668 15.910 1.00 0.00 H new ATOM 1058 N GLN A 76 -1.819 11.319 16.655 1.00 0.00 N ATOM 1059 CA GLN A 76 -0.955 10.974 17.819 1.00 0.00 C ATOM 1060 C GLN A 76 0.486 11.407 17.540 1.00 0.00 C ATOM 1061 O GLN A 76 1.144 11.987 18.383 1.00 0.00 O ATOM 1062 CB GLN A 76 -0.994 9.463 18.053 1.00 0.00 C ATOM 1063 CG GLN A 76 -2.400 9.052 18.497 1.00 0.00 C ATOM 1064 CD GLN A 76 -2.460 7.531 18.659 1.00 0.00 C ATOM 1065 OE1 GLN A 76 -1.689 6.814 18.051 1.00 0.00 O ATOM 1066 NE2 GLN A 76 -3.348 7.006 19.457 1.00 0.00 N ATOM 0 H GLN A 76 -2.178 10.522 16.129 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.323 11.492 18.705 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.721 8.935 17.139 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -0.265 9.183 18.813 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -2.652 9.539 19.439 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.135 9.379 17.762 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.995 7.608 19.967 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.396 5.994 19.571 1.00 0.00 H new ATOM 1075 N ILE A 77 0.985 11.129 16.368 1.00 0.00 N ATOM 1076 CA ILE A 77 2.385 11.523 16.042 1.00 0.00 C ATOM 1077 C ILE A 77 2.571 13.020 16.296 1.00 0.00 C ATOM 1078 O ILE A 77 3.527 13.442 16.916 1.00 0.00 O ATOM 1079 CB ILE A 77 2.673 11.217 14.570 1.00 0.00 C ATOM 1080 CG1 ILE A 77 2.522 9.715 14.321 1.00 0.00 C ATOM 1081 CG2 ILE A 77 4.102 11.648 14.231 1.00 0.00 C ATOM 1082 CD1 ILE A 77 2.416 9.455 12.815 1.00 0.00 C ATOM 0 H ILE A 77 0.485 10.646 15.622 1.00 0.00 H new ATOM 0 HA ILE A 77 3.073 10.961 16.673 1.00 0.00 H new ATOM 0 HB ILE A 77 1.969 11.762 13.941 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.377 9.179 14.734 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.634 9.339 14.829 1.00 0.00 H new ATOM 0 HG21 ILE A 77 4.309 11.431 13.183 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.211 12.718 14.408 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.805 11.103 14.860 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.308 8.385 12.637 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.547 9.978 12.416 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.317 9.816 12.319 1.00 0.00 H new ATOM 1094 N ALA A 78 1.666 13.823 15.817 1.00 0.00 N ATOM 1095 CA ALA A 78 1.786 15.295 16.022 1.00 0.00 C ATOM 1096 C ALA A 78 1.341 15.661 17.440 1.00 0.00 C ATOM 1097 O ALA A 78 2.025 16.371 18.150 1.00 0.00 O ATOM 1098 CB ALA A 78 0.902 16.021 15.009 1.00 0.00 C ATOM 0 H ALA A 78 0.845 13.525 15.290 1.00 0.00 H new ATOM 0 HA ALA A 78 2.825 15.594 15.884 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.988 17.098 15.157 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.222 15.767 13.999 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.136 15.717 15.148 1.00 0.00 H new ATOM 1104 N ALA A 79 0.198 15.189 17.856 1.00 0.00 N ATOM 1105 CA ALA A 79 -0.288 15.518 19.227 1.00 0.00 C ATOM 1106 C ALA A 79 0.745 15.060 20.258 1.00 0.00 C ATOM 1107 O ALA A 79 0.832 15.598 21.345 1.00 0.00 O ATOM 1108 CB ALA A 79 -1.615 14.805 19.483 1.00 0.00 C ATOM 0 H ALA A 79 -0.420 14.591 17.307 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.433 16.595 19.312 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.970 15.046 20.485 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.351 15.132 18.749 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.472 13.728 19.398 1.00 0.00 H new ATOM 1114 N SER A 80 1.528 14.071 19.927 1.00 0.00 N ATOM 1115 CA SER A 80 2.556 13.581 20.887 1.00 0.00 C ATOM 1116 C SER A 80 3.764 14.520 20.861 1.00 0.00 C ATOM 1117 O SER A 80 4.556 14.555 21.781 1.00 0.00 O ATOM 1118 CB SER A 80 2.997 12.172 20.487 1.00 0.00 C ATOM 1119 OG SER A 80 1.938 11.258 20.733 1.00 0.00 O ATOM 0 H SER A 80 1.500 13.581 19.033 1.00 0.00 H new ATOM 0 HA SER A 80 2.134 13.558 21.892 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.273 12.151 19.433 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.882 11.881 21.054 1.00 0.00 H new ATOM 0 HG SER A 80 1.463 11.075 19.896 1.00 0.00 H new ATOM 1125 N GLN A 81 3.910 15.283 19.812 1.00 0.00 N ATOM 1126 CA GLN A 81 5.066 16.220 19.724 1.00 0.00 C ATOM 1127 C GLN A 81 5.230 16.953 21.055 1.00 0.00 C ATOM 1128 O GLN A 81 6.330 17.176 21.522 1.00 0.00 O ATOM 1129 CB GLN A 81 4.815 17.239 18.609 1.00 0.00 C ATOM 1130 CG GLN A 81 4.625 16.508 17.279 1.00 0.00 C ATOM 1131 CD GLN A 81 4.133 17.498 16.221 1.00 0.00 C ATOM 1132 OE1 GLN A 81 4.797 17.626 15.105 1.00 0.00 O flip ATOM 1133 NE2 GLN A 81 3.132 18.160 16.412 1.00 0.00 N flip ATOM 0 H GLN A 81 3.278 15.298 19.011 1.00 0.00 H new ATOM 0 HA GLN A 81 5.973 15.657 19.504 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.931 17.834 18.838 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.655 17.931 18.539 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.565 16.057 16.962 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.906 15.697 17.396 1.00 0.00 H new ATOM 0 HE21 GLN A 81 2.613 18.060 17.284 1.00 0.00 H new ATOM 0 HE22 GLN A 81 2.811 18.816 15.700 1.00 0.00 H new ATOM 1142 N GLY A 82 4.145 17.328 21.671 1.00 0.00 N ATOM 1143 CA GLY A 82 4.237 18.046 22.973 1.00 0.00 C ATOM 1144 C GLY A 82 4.257 19.557 22.725 1.00 0.00 C ATOM 1145 O GLY A 82 4.465 20.340 23.630 1.00 0.00 O ATOM 0 H GLY A 82 3.197 17.169 21.329 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.390 17.782 23.606 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.139 17.742 23.505 1.00 0.00 H new ATOM 1149 N GLY A 83 4.045 19.972 21.506 1.00 0.00 N ATOM 1150 CA GLY A 83 4.054 21.432 21.204 1.00 0.00 C ATOM 1151 C GLY A 83 2.615 21.935 21.083 1.00 0.00 C ATOM 1152 O GLY A 83 1.689 21.318 21.569 1.00 0.00 O ATOM 0 H GLY A 83 3.866 19.364 20.707 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.575 21.974 21.993 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.596 21.619 20.277 1.00 0.00 H new ATOM 1156 N ASP A 84 2.418 23.052 20.437 1.00 0.00 N ATOM 1157 CA ASP A 84 1.038 23.593 20.285 1.00 0.00 C ATOM 1158 C ASP A 84 0.205 22.629 19.437 1.00 0.00 C ATOM 1159 O ASP A 84 0.266 22.646 18.224 1.00 0.00 O ATOM 1160 CB ASP A 84 1.096 24.957 19.597 1.00 0.00 C ATOM 1161 CG ASP A 84 -0.292 25.598 19.616 1.00 0.00 C ATOM 1162 OD1 ASP A 84 -1.187 25.009 20.200 1.00 0.00 O ATOM 1163 OD2 ASP A 84 -0.438 26.668 19.047 1.00 0.00 O ATOM 0 H ASP A 84 3.154 23.613 20.008 1.00 0.00 H new ATOM 0 HA ASP A 84 0.580 23.703 21.268 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.813 25.602 20.105 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.442 24.843 18.570 1.00 0.00 H new ATOM 1168 N LEU A 85 -0.572 21.789 20.063 1.00 0.00 N ATOM 1169 CA LEU A 85 -1.405 20.825 19.289 1.00 0.00 C ATOM 1170 C LEU A 85 -2.338 21.594 18.351 1.00 0.00 C ATOM 1171 O LEU A 85 -2.901 21.039 17.428 1.00 0.00 O ATOM 1172 CB LEU A 85 -2.237 19.982 20.257 1.00 0.00 C ATOM 1173 CG LEU A 85 -2.981 18.897 19.478 1.00 0.00 C ATOM 1174 CD1 LEU A 85 -1.999 18.158 18.565 1.00 0.00 C ATOM 1175 CD2 LEU A 85 -3.609 17.904 20.458 1.00 0.00 C ATOM 0 H LEU A 85 -0.666 21.728 21.077 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.757 20.174 18.702 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.591 19.527 21.008 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.947 20.615 20.789 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.763 19.357 18.874 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.530 17.385 18.010 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.551 18.864 17.866 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.216 17.699 19.169 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.139 17.131 19.902 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.827 17.445 21.062 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.309 18.428 21.109 1.00 0.00 H new ATOM 1187 N GLY A 86 -2.507 22.867 18.580 1.00 0.00 N ATOM 1188 CA GLY A 86 -3.405 23.669 17.702 1.00 0.00 C ATOM 1189 C GLY A 86 -2.789 23.783 16.305 1.00 0.00 C ATOM 1190 O GLY A 86 -3.485 23.790 15.308 1.00 0.00 O ATOM 0 H GLY A 86 -2.062 23.386 19.337 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.386 23.198 17.641 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.554 24.662 18.127 1.00 0.00 H new ATOM 1194 N VAL A 87 -1.490 23.874 16.224 1.00 0.00 N ATOM 1195 CA VAL A 87 -0.833 23.990 14.891 1.00 0.00 C ATOM 1196 C VAL A 87 -0.956 22.663 14.142 1.00 0.00 C ATOM 1197 O VAL A 87 -1.115 22.634 12.939 1.00 0.00 O ATOM 1198 CB VAL A 87 0.645 24.345 15.077 1.00 0.00 C ATOM 1199 CG1 VAL A 87 1.423 23.109 15.537 1.00 0.00 C ATOM 1200 CG2 VAL A 87 1.219 24.842 13.748 1.00 0.00 C ATOM 0 H VAL A 87 -0.855 23.873 17.022 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.321 24.775 14.313 1.00 0.00 H new ATOM 0 HB VAL A 87 0.735 25.127 15.831 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.474 23.368 15.667 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.016 22.755 16.484 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.334 22.323 14.787 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.271 25.095 13.878 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.125 24.059 12.995 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.671 25.726 13.423 1.00 0.00 H new ATOM 1210 N THR A 88 -0.888 21.561 14.839 1.00 0.00 N ATOM 1211 CA THR A 88 -1.009 20.253 14.145 1.00 0.00 C ATOM 1212 C THR A 88 -2.263 20.281 13.280 1.00 0.00 C ATOM 1213 O THR A 88 -2.310 19.702 12.213 1.00 0.00 O ATOM 1214 CB THR A 88 -1.121 19.122 15.168 1.00 0.00 C ATOM 1215 OG1 THR A 88 0.081 19.043 15.921 1.00 0.00 O ATOM 1216 CG2 THR A 88 -1.355 17.801 14.435 1.00 0.00 C ATOM 0 H THR A 88 -0.755 21.512 15.849 1.00 0.00 H new ATOM 0 HA THR A 88 -0.126 20.081 13.529 1.00 0.00 H new ATOM 0 HB THR A 88 -1.955 19.318 15.841 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.077 19.732 16.618 1.00 0.00 H new ATOM 0 HG21 THR A 88 -1.435 16.992 15.161 1.00 0.00 H new ATOM 0 HG22 THR A 88 -2.277 17.864 13.858 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.519 17.604 13.763 1.00 0.00 H new ATOM 1224 N THR A 89 -3.277 20.970 13.723 1.00 0.00 N ATOM 1225 CA THR A 89 -4.520 21.054 12.915 1.00 0.00 C ATOM 1226 C THR A 89 -4.158 21.618 11.543 1.00 0.00 C ATOM 1227 O THR A 89 -4.542 21.090 10.520 1.00 0.00 O ATOM 1228 CB THR A 89 -5.525 21.980 13.605 1.00 0.00 C ATOM 1229 OG1 THR A 89 -5.509 21.733 15.005 1.00 0.00 O ATOM 1230 CG2 THR A 89 -6.927 21.715 13.055 1.00 0.00 C ATOM 0 H THR A 89 -3.297 21.477 14.608 1.00 0.00 H new ATOM 0 HA THR A 89 -4.969 20.066 12.811 1.00 0.00 H new ATOM 0 HB THR A 89 -5.253 23.018 13.415 1.00 0.00 H new ATOM 0 HG1 THR A 89 -4.871 22.339 15.437 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.642 22.375 13.547 1.00 0.00 H new ATOM 0 HG22 THR A 89 -6.938 21.904 11.982 1.00 0.00 H new ATOM 0 HG23 THR A 89 -7.202 20.677 13.244 1.00 0.00 H new ATOM 1238 N ASN A 90 -3.403 22.684 11.517 1.00 0.00 N ATOM 1239 CA ASN A 90 -2.998 23.281 10.216 1.00 0.00 C ATOM 1240 C ASN A 90 -1.986 22.357 9.532 1.00 0.00 C ATOM 1241 O ASN A 90 -2.006 22.178 8.331 1.00 0.00 O ATOM 1242 CB ASN A 90 -2.353 24.648 10.460 1.00 0.00 C ATOM 1243 CG ASN A 90 -3.363 25.576 11.140 1.00 0.00 C ATOM 1244 OD1 ASN A 90 -4.555 25.350 11.070 1.00 0.00 O ATOM 1245 ND2 ASN A 90 -2.933 26.617 11.797 1.00 0.00 N ATOM 0 H ASN A 90 -3.050 23.166 12.344 1.00 0.00 H new ATOM 0 HA ASN A 90 -3.875 23.402 9.580 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -1.467 24.537 11.085 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -2.025 25.081 9.515 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -3.597 27.243 12.253 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.932 26.806 11.855 1.00 0.00 H new ATOM 1252 N ALA A 91 -1.100 21.771 10.292 1.00 0.00 N ATOM 1253 CA ALA A 91 -0.084 20.858 9.693 1.00 0.00 C ATOM 1254 C ALA A 91 -0.776 19.617 9.124 1.00 0.00 C ATOM 1255 O ALA A 91 -0.602 19.270 7.972 1.00 0.00 O ATOM 1256 CB ALA A 91 0.914 20.434 10.773 1.00 0.00 C ATOM 0 H ALA A 91 -1.036 21.885 11.304 1.00 0.00 H new ATOM 0 HA ALA A 91 0.441 21.377 8.891 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.658 19.766 10.339 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.410 21.317 11.177 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.386 19.916 11.574 1.00 0.00 H new ATOM 1262 N ILE A 92 -1.554 18.945 9.924 1.00 0.00 N ATOM 1263 CA ILE A 92 -2.254 17.723 9.435 1.00 0.00 C ATOM 1264 C ILE A 92 -3.351 18.118 8.443 1.00 0.00 C ATOM 1265 O ILE A 92 -3.502 17.515 7.399 1.00 0.00 O ATOM 1266 CB ILE A 92 -2.878 16.992 10.627 1.00 0.00 C ATOM 1267 CG1 ILE A 92 -1.768 16.448 11.528 1.00 0.00 C ATOM 1268 CG2 ILE A 92 -3.741 15.831 10.127 1.00 0.00 C ATOM 1269 CD1 ILE A 92 -2.390 15.723 12.723 1.00 0.00 C ATOM 0 H ILE A 92 -1.737 19.189 10.898 1.00 0.00 H new ATOM 0 HA ILE A 92 -1.540 17.068 8.935 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.500 17.687 11.191 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.131 15.765 10.966 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.133 17.264 11.874 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -4.183 15.313 10.978 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -4.533 16.217 9.485 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.122 15.135 9.561 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.599 15.335 13.365 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.009 16.419 13.289 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.006 14.897 12.367 1.00 0.00 H new ATOM 1281 N ALA A 93 -4.125 19.118 8.763 1.00 0.00 N ATOM 1282 CA ALA A 93 -5.218 19.539 7.837 1.00 0.00 C ATOM 1283 C ALA A 93 -4.622 20.042 6.519 1.00 0.00 C ATOM 1284 O ALA A 93 -5.071 19.680 5.450 1.00 0.00 O ATOM 1285 CB ALA A 93 -6.033 20.660 8.485 1.00 0.00 C ATOM 0 H ALA A 93 -4.050 19.662 9.623 1.00 0.00 H new ATOM 0 HA ALA A 93 -5.864 18.684 7.636 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.831 20.967 7.809 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -6.466 20.302 9.419 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -5.383 21.511 8.690 1.00 0.00 H new ATOM 1291 N ASP A 94 -3.623 20.878 6.584 1.00 0.00 N ATOM 1292 CA ASP A 94 -3.013 21.404 5.330 1.00 0.00 C ATOM 1293 C ASP A 94 -2.575 20.238 4.442 1.00 0.00 C ATOM 1294 O ASP A 94 -2.887 20.190 3.268 1.00 0.00 O ATOM 1295 CB ASP A 94 -1.798 22.264 5.675 1.00 0.00 C ATOM 1296 CG ASP A 94 -2.269 23.617 6.214 1.00 0.00 C ATOM 1297 OD1 ASP A 94 -3.469 23.828 6.259 1.00 0.00 O ATOM 1298 OD2 ASP A 94 -1.422 24.418 6.570 1.00 0.00 O ATOM 0 H ASP A 94 -3.203 21.219 7.449 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.748 22.008 4.798 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.181 21.759 6.418 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -1.178 22.409 4.790 1.00 0.00 H new ATOM 1303 N ALA A 95 -1.859 19.295 4.989 1.00 0.00 N ATOM 1304 CA ALA A 95 -1.411 18.134 4.170 1.00 0.00 C ATOM 1305 C ALA A 95 -2.631 17.299 3.790 1.00 0.00 C ATOM 1306 O ALA A 95 -2.696 16.718 2.725 1.00 0.00 O ATOM 1307 CB ALA A 95 -0.438 17.279 4.985 1.00 0.00 C ATOM 0 H ALA A 95 -1.565 19.278 5.966 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.909 18.487 3.269 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -0.110 16.430 4.386 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.427 17.880 5.266 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.937 16.918 5.884 1.00 0.00 H new ATOM 1313 N LEU A 96 -3.600 17.241 4.658 1.00 0.00 N ATOM 1314 CA LEU A 96 -4.826 16.453 4.364 1.00 0.00 C ATOM 1315 C LEU A 96 -5.627 17.144 3.260 1.00 0.00 C ATOM 1316 O LEU A 96 -6.139 16.510 2.359 1.00 0.00 O ATOM 1317 CB LEU A 96 -5.680 16.370 5.630 1.00 0.00 C ATOM 1318 CG LEU A 96 -6.482 15.069 5.622 1.00 0.00 C ATOM 1319 CD1 LEU A 96 -7.328 14.999 4.350 1.00 0.00 C ATOM 1320 CD2 LEU A 96 -5.518 13.883 5.663 1.00 0.00 C ATOM 0 H LEU A 96 -3.595 17.709 5.564 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.548 15.451 4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.043 16.411 6.514 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.354 17.225 5.683 1.00 0.00 H new ATOM 0 HG LEU A 96 -7.137 15.037 6.492 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.900 14.071 4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.012 15.847 4.321 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.676 15.029 3.477 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.086 12.952 5.657 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.865 13.915 4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.915 13.935 6.570 1.00 0.00 H new ATOM 1332 N THR A 97 -5.745 18.441 3.329 1.00 0.00 N ATOM 1333 CA THR A 97 -6.519 19.177 2.291 1.00 0.00 C ATOM 1334 C THR A 97 -5.820 19.056 0.937 1.00 0.00 C ATOM 1335 O THR A 97 -6.414 18.652 -0.043 1.00 0.00 O ATOM 1336 CB THR A 97 -6.621 20.652 2.687 1.00 0.00 C ATOM 1337 OG1 THR A 97 -7.361 20.768 3.894 1.00 0.00 O ATOM 1338 CG2 THR A 97 -7.324 21.434 1.577 1.00 0.00 C ATOM 0 H THR A 97 -5.338 19.024 4.061 1.00 0.00 H new ATOM 0 HA THR A 97 -7.518 18.749 2.214 1.00 0.00 H new ATOM 0 HB THR A 97 -5.620 21.058 2.835 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.426 21.712 4.149 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.396 22.484 1.861 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.753 21.346 0.653 1.00 0.00 H new ATOM 0 HG23 THR A 97 -8.325 21.030 1.425 1.00 0.00 H new ATOM 1346 N SER A 98 -4.566 19.402 0.870 1.00 0.00 N ATOM 1347 CA SER A 98 -3.840 19.304 -0.427 1.00 0.00 C ATOM 1348 C SER A 98 -3.904 17.863 -0.935 1.00 0.00 C ATOM 1349 O SER A 98 -4.127 17.615 -2.103 1.00 0.00 O ATOM 1350 CB SER A 98 -2.380 19.712 -0.226 1.00 0.00 C ATOM 1351 OG SER A 98 -1.720 18.733 0.564 1.00 0.00 O ATOM 0 H SER A 98 -4.013 19.748 1.654 1.00 0.00 H new ATOM 0 HA SER A 98 -4.303 19.968 -1.157 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.883 19.812 -1.191 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.327 20.685 0.262 1.00 0.00 H new ATOM 0 HG SER A 98 -0.784 18.993 0.692 1.00 0.00 H new ATOM 1357 N ALA A 99 -3.711 16.911 -0.066 1.00 0.00 N ATOM 1358 CA ALA A 99 -3.758 15.485 -0.496 1.00 0.00 C ATOM 1359 C ALA A 99 -5.122 15.180 -1.122 1.00 0.00 C ATOM 1360 O ALA A 99 -5.212 14.571 -2.169 1.00 0.00 O ATOM 1361 CB ALA A 99 -3.540 14.582 0.718 1.00 0.00 C ATOM 0 H ALA A 99 -3.522 17.059 0.925 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.975 15.302 -1.232 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -3.574 13.538 0.406 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.568 14.797 1.161 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.323 14.766 1.454 1.00 0.00 H new ATOM 1367 N PHE A 100 -6.185 15.599 -0.490 1.00 0.00 N ATOM 1368 CA PHE A 100 -7.540 15.330 -1.052 1.00 0.00 C ATOM 1369 C PHE A 100 -7.555 15.686 -2.538 1.00 0.00 C ATOM 1370 O PHE A 100 -7.878 14.872 -3.381 1.00 0.00 O ATOM 1371 CB PHE A 100 -8.571 16.192 -0.320 1.00 0.00 C ATOM 1372 CG PHE A 100 -9.341 15.340 0.659 1.00 0.00 C ATOM 1373 CD1 PHE A 100 -9.919 14.135 0.238 1.00 0.00 C ATOM 1374 CD2 PHE A 100 -9.481 15.757 1.987 1.00 0.00 C ATOM 1375 CE1 PHE A 100 -10.638 13.350 1.149 1.00 0.00 C ATOM 1376 CE2 PHE A 100 -10.200 14.973 2.895 1.00 0.00 C ATOM 1377 CZ PHE A 100 -10.778 13.769 2.476 1.00 0.00 C ATOM 0 H PHE A 100 -6.174 16.115 0.390 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.783 14.275 -0.925 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -8.072 17.006 0.205 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -9.254 16.647 -1.037 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -9.810 13.812 -0.787 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -9.034 16.685 2.311 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -11.084 12.421 0.826 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -10.309 15.297 3.920 1.00 0.00 H new ATOM 0 HZ PHE A 100 -11.332 13.163 3.178 1.00 0.00 H new ATOM 1387 N TYR A 101 -7.207 16.899 -2.864 1.00 0.00 N ATOM 1388 CA TYR A 101 -7.199 17.321 -4.292 1.00 0.00 C ATOM 1389 C TYR A 101 -6.080 16.589 -5.035 1.00 0.00 C ATOM 1390 O TYR A 101 -6.189 16.294 -6.208 1.00 0.00 O ATOM 1391 CB TYR A 101 -6.975 18.832 -4.367 1.00 0.00 C ATOM 1392 CG TYR A 101 -7.692 19.503 -3.217 1.00 0.00 C ATOM 1393 CD1 TYR A 101 -9.008 19.139 -2.898 1.00 0.00 C ATOM 1394 CD2 TYR A 101 -7.041 20.491 -2.468 1.00 0.00 C ATOM 1395 CE1 TYR A 101 -9.671 19.763 -1.831 1.00 0.00 C ATOM 1396 CE2 TYR A 101 -7.703 21.114 -1.403 1.00 0.00 C ATOM 1397 CZ TYR A 101 -9.017 20.751 -1.086 1.00 0.00 C ATOM 1398 OH TYR A 101 -9.668 21.365 -0.035 1.00 0.00 O ATOM 0 H TYR A 101 -6.926 17.620 -2.199 1.00 0.00 H new ATOM 0 HA TYR A 101 -8.154 17.074 -4.756 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -5.909 19.055 -4.325 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -7.345 19.219 -5.316 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -9.512 18.377 -3.475 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.027 20.773 -2.712 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -10.684 19.482 -1.585 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -7.199 21.875 -0.826 1.00 0.00 H new ATOM 0 HH TYR A 101 -10.631 21.388 -0.215 1.00 0.00 H new ATOM 1408 N GLN A 102 -5.004 16.295 -4.362 1.00 0.00 N ATOM 1409 CA GLN A 102 -3.876 15.584 -5.027 1.00 0.00 C ATOM 1410 C GLN A 102 -4.278 14.141 -5.342 1.00 0.00 C ATOM 1411 O GLN A 102 -3.653 13.482 -6.150 1.00 0.00 O ATOM 1412 CB GLN A 102 -2.663 15.569 -4.094 1.00 0.00 C ATOM 1413 CG GLN A 102 -1.991 16.942 -4.100 1.00 0.00 C ATOM 1414 CD GLN A 102 -0.564 16.814 -3.561 1.00 0.00 C ATOM 1415 OE1 GLN A 102 0.353 16.516 -4.299 1.00 0.00 O ATOM 1416 NE2 GLN A 102 -0.337 17.028 -2.293 1.00 0.00 N ATOM 0 H GLN A 102 -4.856 16.517 -3.377 1.00 0.00 H new ATOM 0 HA GLN A 102 -3.629 16.102 -5.954 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -2.974 15.310 -3.082 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -1.955 14.805 -4.415 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -1.974 17.346 -5.112 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -2.561 17.641 -3.488 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -1.107 17.278 -1.672 1.00 0.00 H new ATOM 0 HE22 GLN A 102 0.610 16.945 -1.923 1.00 0.00 H new ATOM 1425 N THR A 103 -5.296 13.629 -4.702 1.00 0.00 N ATOM 1426 CA THR A 103 -5.690 12.214 -4.970 1.00 0.00 C ATOM 1427 C THR A 103 -7.066 12.140 -5.647 1.00 0.00 C ATOM 1428 O THR A 103 -7.197 11.606 -6.730 1.00 0.00 O ATOM 1429 CB THR A 103 -5.728 11.443 -3.648 1.00 0.00 C ATOM 1430 OG1 THR A 103 -6.735 11.989 -2.809 1.00 0.00 O ATOM 1431 CG2 THR A 103 -4.370 11.552 -2.953 1.00 0.00 C ATOM 0 H THR A 103 -5.866 14.121 -4.014 1.00 0.00 H new ATOM 0 HA THR A 103 -4.956 11.772 -5.643 1.00 0.00 H new ATOM 0 HB THR A 103 -5.950 10.395 -3.847 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.450 12.869 -2.486 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.398 11.003 -2.012 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.597 11.131 -3.596 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.146 12.600 -2.755 1.00 0.00 H new ATOM 1439 N THR A 104 -8.097 12.647 -5.022 1.00 0.00 N ATOM 1440 CA THR A 104 -9.447 12.563 -5.657 1.00 0.00 C ATOM 1441 C THR A 104 -10.086 13.950 -5.751 1.00 0.00 C ATOM 1442 O THR A 104 -10.679 14.300 -6.752 1.00 0.00 O ATOM 1443 CB THR A 104 -10.345 11.651 -4.817 1.00 0.00 C ATOM 1444 OG1 THR A 104 -10.664 12.298 -3.593 1.00 0.00 O ATOM 1445 CG2 THR A 104 -9.613 10.340 -4.529 1.00 0.00 C ATOM 0 H THR A 104 -8.065 13.109 -4.113 1.00 0.00 H new ATOM 0 HA THR A 104 -9.336 12.158 -6.663 1.00 0.00 H new ATOM 0 HB THR A 104 -11.263 11.439 -5.364 1.00 0.00 H new ATOM 0 HG1 THR A 104 -9.864 12.344 -3.029 1.00 0.00 H new ATOM 0 HG21 THR A 104 -10.252 9.690 -3.931 1.00 0.00 H new ATOM 0 HG22 THR A 104 -9.370 9.845 -5.469 1.00 0.00 H new ATOM 0 HG23 THR A 104 -8.694 10.549 -3.981 1.00 0.00 H new ATOM 1453 N GLY A 105 -9.978 14.744 -4.724 1.00 0.00 N ATOM 1454 CA GLY A 105 -10.589 16.101 -4.776 1.00 0.00 C ATOM 1455 C GLY A 105 -11.840 16.142 -3.897 1.00 0.00 C ATOM 1456 O GLY A 105 -12.878 16.623 -4.303 1.00 0.00 O ATOM 0 H GLY A 105 -9.496 14.514 -3.855 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -9.870 16.846 -4.436 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -10.848 16.354 -5.804 1.00 0.00 H new ATOM 1460 N VAL A 106 -11.747 15.653 -2.692 1.00 0.00 N ATOM 1461 CA VAL A 106 -12.927 15.679 -1.789 1.00 0.00 C ATOM 1462 C VAL A 106 -12.768 16.835 -0.803 1.00 0.00 C ATOM 1463 O VAL A 106 -11.677 17.315 -0.565 1.00 0.00 O ATOM 1464 CB VAL A 106 -13.020 14.360 -1.021 1.00 0.00 C ATOM 1465 CG1 VAL A 106 -14.312 14.334 -0.202 1.00 0.00 C ATOM 1466 CG2 VAL A 106 -13.022 13.192 -2.009 1.00 0.00 C ATOM 0 H VAL A 106 -10.904 15.237 -2.295 1.00 0.00 H new ATOM 0 HA VAL A 106 -13.836 15.813 -2.375 1.00 0.00 H new ATOM 0 HB VAL A 106 -12.164 14.270 -0.353 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -14.377 13.393 0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -14.312 15.165 0.504 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -15.168 14.425 -0.870 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -13.088 12.252 -1.461 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -13.878 13.283 -2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -12.102 13.208 -2.593 1.00 0.00 H new ATOM 1476 N VAL A 107 -13.844 17.289 -0.231 1.00 0.00 N ATOM 1477 CA VAL A 107 -13.750 18.416 0.735 1.00 0.00 C ATOM 1478 C VAL A 107 -12.818 18.033 1.887 1.00 0.00 C ATOM 1479 O VAL A 107 -13.038 17.060 2.581 1.00 0.00 O ATOM 1480 CB VAL A 107 -15.135 18.708 1.295 1.00 0.00 C ATOM 1481 CG1 VAL A 107 -16.089 19.065 0.153 1.00 0.00 C ATOM 1482 CG2 VAL A 107 -15.644 17.462 2.020 1.00 0.00 C ATOM 0 H VAL A 107 -14.785 16.929 -0.390 1.00 0.00 H new ATOM 0 HA VAL A 107 -13.357 19.297 0.227 1.00 0.00 H new ATOM 0 HB VAL A 107 -15.085 19.547 1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -17.079 19.273 0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -15.718 19.947 -0.369 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -16.151 18.230 -0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -16.636 17.657 2.427 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -15.697 16.629 1.319 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -14.962 17.210 2.832 1.00 0.00 H new ATOM 1492 N ASN A 108 -11.782 18.794 2.097 1.00 0.00 N ATOM 1493 CA ASN A 108 -10.836 18.482 3.204 1.00 0.00 C ATOM 1494 C ASN A 108 -11.500 18.764 4.553 1.00 0.00 C ATOM 1495 O ASN A 108 -11.150 18.186 5.562 1.00 0.00 O ATOM 1496 CB ASN A 108 -9.589 19.356 3.058 1.00 0.00 C ATOM 1497 CG ASN A 108 -9.916 20.795 3.464 1.00 0.00 C ATOM 1498 OD1 ASN A 108 -9.931 21.120 4.635 1.00 0.00 O ATOM 1499 ND2 ASN A 108 -10.178 21.678 2.538 1.00 0.00 N ATOM 0 H ASN A 108 -11.548 19.621 1.548 1.00 0.00 H new ATOM 0 HA ASN A 108 -10.559 17.429 3.157 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -8.785 18.966 3.682 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -9.234 19.331 2.028 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -10.395 22.640 2.798 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -10.165 21.405 1.555 1.00 0.00 H new ATOM 1506 N SER A 109 -12.443 19.662 4.580 1.00 0.00 N ATOM 1507 CA SER A 109 -13.118 20.003 5.863 1.00 0.00 C ATOM 1508 C SER A 109 -13.886 18.797 6.413 1.00 0.00 C ATOM 1509 O SER A 109 -14.026 18.640 7.608 1.00 0.00 O ATOM 1510 CB SER A 109 -14.096 21.156 5.628 1.00 0.00 C ATOM 1511 OG SER A 109 -15.130 20.729 4.754 1.00 0.00 O ATOM 0 H SER A 109 -12.777 20.177 3.765 1.00 0.00 H new ATOM 0 HA SER A 109 -12.358 20.293 6.588 1.00 0.00 H new ATOM 0 HB2 SER A 109 -14.520 21.486 6.576 1.00 0.00 H new ATOM 0 HB3 SER A 109 -13.572 22.010 5.199 1.00 0.00 H new ATOM 0 HG SER A 109 -15.758 21.467 4.605 1.00 0.00 H new ATOM 1517 N ARG A 110 -14.402 17.952 5.564 1.00 0.00 N ATOM 1518 CA ARG A 110 -15.175 16.782 6.074 1.00 0.00 C ATOM 1519 C ARG A 110 -14.254 15.826 6.841 1.00 0.00 C ATOM 1520 O ARG A 110 -14.503 15.499 7.983 1.00 0.00 O ATOM 1521 CB ARG A 110 -15.807 16.037 4.897 1.00 0.00 C ATOM 1522 CG ARG A 110 -16.532 14.792 5.412 1.00 0.00 C ATOM 1523 CD ARG A 110 -17.235 14.090 4.248 1.00 0.00 C ATOM 1524 NE ARG A 110 -18.273 13.165 4.781 1.00 0.00 N ATOM 1525 CZ ARG A 110 -19.155 12.640 3.974 1.00 0.00 C ATOM 1526 NH1 ARG A 110 -18.779 11.781 3.066 1.00 0.00 N ATOM 1527 NH2 ARG A 110 -20.413 12.972 4.076 1.00 0.00 N ATOM 0 H ARG A 110 -14.324 18.018 4.549 1.00 0.00 H new ATOM 0 HA ARG A 110 -15.953 17.142 6.747 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -16.507 16.688 4.374 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -15.039 15.752 4.178 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -15.821 14.113 5.883 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -17.259 15.071 6.174 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -17.693 14.827 3.588 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -16.510 13.536 3.652 1.00 0.00 H new ATOM 0 HE ARG A 110 -18.295 12.942 5.776 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -17.796 11.520 2.987 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -19.468 11.371 2.436 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -20.708 13.642 4.786 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -21.102 12.562 3.445 1.00 0.00 H new ATOM 1541 N PHE A 111 -13.195 15.375 6.227 1.00 0.00 N ATOM 1542 CA PHE A 111 -12.268 14.441 6.931 1.00 0.00 C ATOM 1543 C PHE A 111 -11.410 15.214 7.934 1.00 0.00 C ATOM 1544 O PHE A 111 -11.299 14.849 9.087 1.00 0.00 O ATOM 1545 CB PHE A 111 -11.359 13.752 5.913 1.00 0.00 C ATOM 1546 CG PHE A 111 -10.607 12.630 6.589 1.00 0.00 C ATOM 1547 CD1 PHE A 111 -11.249 11.413 6.850 1.00 0.00 C ATOM 1548 CD2 PHE A 111 -9.267 12.807 6.954 1.00 0.00 C ATOM 1549 CE1 PHE A 111 -10.551 10.374 7.476 1.00 0.00 C ATOM 1550 CE2 PHE A 111 -8.570 11.768 7.581 1.00 0.00 C ATOM 1551 CZ PHE A 111 -9.212 10.551 7.842 1.00 0.00 C ATOM 0 H PHE A 111 -12.931 15.611 5.271 1.00 0.00 H new ATOM 0 HA PHE A 111 -12.856 13.692 7.461 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -11.952 13.361 5.086 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -10.658 14.471 5.490 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -12.283 11.276 6.568 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -8.771 13.745 6.752 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -11.046 9.435 7.677 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -7.537 11.905 7.864 1.00 0.00 H new ATOM 0 HZ PHE A 111 -8.674 9.749 8.326 1.00 0.00 H new ATOM 1561 N ILE A 112 -10.790 16.274 7.496 1.00 0.00 N ATOM 1562 CA ILE A 112 -9.921 17.068 8.408 1.00 0.00 C ATOM 1563 C ILE A 112 -10.719 17.521 9.633 1.00 0.00 C ATOM 1564 O ILE A 112 -10.228 17.499 10.743 1.00 0.00 O ATOM 1565 CB ILE A 112 -9.385 18.287 7.653 1.00 0.00 C ATOM 1566 CG1 ILE A 112 -8.551 17.815 6.461 1.00 0.00 C ATOM 1567 CG2 ILE A 112 -8.510 19.125 8.587 1.00 0.00 C ATOM 1568 CD1 ILE A 112 -7.842 19.010 5.823 1.00 0.00 C ATOM 0 H ILE A 112 -10.848 16.626 6.540 1.00 0.00 H new ATOM 0 HA ILE A 112 -9.088 16.451 8.745 1.00 0.00 H new ATOM 0 HB ILE A 112 -10.219 18.893 7.300 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -7.818 17.077 6.787 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -9.192 17.326 5.727 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -8.129 19.992 8.048 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -9.103 19.459 9.439 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.674 18.522 8.941 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -7.249 18.670 4.974 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -8.583 19.733 5.482 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -7.188 19.480 6.558 1.00 0.00 H new ATOM 1580 N SER A 113 -11.946 17.925 9.449 1.00 0.00 N ATOM 1581 CA SER A 113 -12.758 18.368 10.618 1.00 0.00 C ATOM 1582 C SER A 113 -12.803 17.244 11.654 1.00 0.00 C ATOM 1583 O SER A 113 -12.740 17.480 12.845 1.00 0.00 O ATOM 1584 CB SER A 113 -14.180 18.699 10.163 1.00 0.00 C ATOM 1585 OG SER A 113 -14.985 18.992 11.296 1.00 0.00 O ATOM 0 H SER A 113 -12.419 17.968 8.546 1.00 0.00 H new ATOM 0 HA SER A 113 -12.306 19.257 11.059 1.00 0.00 H new ATOM 0 HB2 SER A 113 -14.166 19.551 9.483 1.00 0.00 H new ATOM 0 HB3 SER A 113 -14.602 17.858 9.612 1.00 0.00 H new ATOM 0 HG SER A 113 -15.896 19.206 11.004 1.00 0.00 H new ATOM 1591 N GLU A 114 -12.908 16.020 11.211 1.00 0.00 N ATOM 1592 CA GLU A 114 -12.951 14.882 12.173 1.00 0.00 C ATOM 1593 C GLU A 114 -11.607 14.785 12.896 1.00 0.00 C ATOM 1594 O GLU A 114 -11.546 14.712 14.107 1.00 0.00 O ATOM 1595 CB GLU A 114 -13.219 13.580 11.413 1.00 0.00 C ATOM 1596 CG GLU A 114 -14.581 13.663 10.721 1.00 0.00 C ATOM 1597 CD GLU A 114 -14.856 12.354 9.978 1.00 0.00 C ATOM 1598 OE1 GLU A 114 -13.944 11.551 9.875 1.00 0.00 O ATOM 1599 OE2 GLU A 114 -15.974 12.178 9.523 1.00 0.00 O ATOM 0 H GLU A 114 -12.966 15.760 10.227 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.747 15.045 12.900 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -12.435 13.409 10.676 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.200 12.735 12.101 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -15.364 13.848 11.457 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -14.596 14.500 10.023 1.00 0.00 H new ATOM 1606 N ILE A 115 -10.529 14.793 12.162 1.00 0.00 N ATOM 1607 CA ILE A 115 -9.187 14.709 12.803 1.00 0.00 C ATOM 1608 C ILE A 115 -9.014 15.889 13.762 1.00 0.00 C ATOM 1609 O ILE A 115 -8.392 15.776 14.798 1.00 0.00 O ATOM 1610 CB ILE A 115 -8.101 14.764 11.728 1.00 0.00 C ATOM 1611 CG1 ILE A 115 -8.198 13.522 10.839 1.00 0.00 C ATOM 1612 CG2 ILE A 115 -6.725 14.805 12.396 1.00 0.00 C ATOM 1613 CD1 ILE A 115 -7.275 13.688 9.630 1.00 0.00 C ATOM 0 H ILE A 115 -10.520 14.854 11.144 1.00 0.00 H new ATOM 0 HA ILE A 115 -9.103 13.772 13.353 1.00 0.00 H new ATOM 0 HB ILE A 115 -8.238 15.658 11.119 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -7.918 12.634 11.405 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -9.226 13.378 10.508 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -5.950 14.844 11.631 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -6.654 15.689 13.030 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -6.589 13.911 13.004 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -7.343 12.804 8.996 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -7.576 14.567 9.060 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -6.247 13.811 9.971 1.00 0.00 H new ATOM 1625 N ARG A 116 -9.563 17.021 13.418 1.00 0.00 N ATOM 1626 CA ARG A 116 -9.433 18.213 14.301 1.00 0.00 C ATOM 1627 C ARG A 116 -9.905 17.857 15.712 1.00 0.00 C ATOM 1628 O ARG A 116 -9.243 18.142 16.689 1.00 0.00 O ATOM 1629 CB ARG A 116 -10.300 19.345 13.745 1.00 0.00 C ATOM 1630 CG ARG A 116 -9.835 20.682 14.322 1.00 0.00 C ATOM 1631 CD ARG A 116 -11.038 21.613 14.483 1.00 0.00 C ATOM 1632 NE ARG A 116 -10.581 22.935 14.995 1.00 0.00 N ATOM 1633 CZ ARG A 116 -11.349 23.982 14.875 1.00 0.00 C ATOM 1634 NH1 ARG A 116 -11.984 24.200 13.755 1.00 0.00 N ATOM 1635 NH2 ARG A 116 -11.484 24.811 15.873 1.00 0.00 N ATOM 0 H ARG A 116 -10.097 17.172 12.562 1.00 0.00 H new ATOM 0 HA ARG A 116 -8.391 18.531 14.338 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -10.235 19.365 12.657 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -11.346 19.173 13.998 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -9.351 20.526 15.286 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -9.095 21.137 13.664 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -11.545 21.738 13.526 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -11.760 21.175 15.172 1.00 0.00 H new ATOM 0 HE ARG A 116 -9.667 23.021 15.440 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -11.879 23.551 12.975 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -12.585 25.019 13.660 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -10.989 24.641 16.748 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -12.085 25.630 15.778 1.00 0.00 H new ATOM 1649 N SER A 117 -11.043 17.229 15.826 1.00 0.00 N ATOM 1650 CA SER A 117 -11.552 16.851 17.174 1.00 0.00 C ATOM 1651 C SER A 117 -10.729 15.682 17.717 1.00 0.00 C ATOM 1652 O SER A 117 -10.497 15.571 18.904 1.00 0.00 O ATOM 1653 CB SER A 117 -13.021 16.437 17.067 1.00 0.00 C ATOM 1654 OG SER A 117 -13.115 15.209 16.359 1.00 0.00 O ATOM 0 H SER A 117 -11.642 16.962 15.045 1.00 0.00 H new ATOM 0 HA SER A 117 -11.465 17.702 17.849 1.00 0.00 H new ATOM 0 HB2 SER A 117 -13.453 16.330 18.062 1.00 0.00 H new ATOM 0 HB3 SER A 117 -13.592 17.210 16.553 1.00 0.00 H new ATOM 0 HG SER A 117 -12.504 15.226 15.593 1.00 0.00 H new ATOM 1660 N LEU A 118 -10.288 14.806 16.855 1.00 0.00 N ATOM 1661 CA LEU A 118 -9.481 13.642 17.318 1.00 0.00 C ATOM 1662 C LEU A 118 -8.144 14.134 17.877 1.00 0.00 C ATOM 1663 O LEU A 118 -7.706 13.710 18.928 1.00 0.00 O ATOM 1664 CB LEU A 118 -9.224 12.701 16.140 1.00 0.00 C ATOM 1665 CG LEU A 118 -10.524 11.987 15.765 1.00 0.00 C ATOM 1666 CD1 LEU A 118 -10.520 11.673 14.267 1.00 0.00 C ATOM 1667 CD2 LEU A 118 -10.638 10.683 16.558 1.00 0.00 C ATOM 0 H LEU A 118 -10.452 14.847 15.849 1.00 0.00 H new ATOM 0 HA LEU A 118 -10.026 13.111 18.098 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -8.847 13.264 15.286 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -8.459 11.971 16.404 1.00 0.00 H new ATOM 0 HG LEU A 118 -11.372 12.631 16.000 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -11.446 11.164 13.999 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -10.439 12.601 13.701 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -9.672 11.030 14.032 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -11.564 10.174 16.291 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -9.790 10.039 16.324 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.641 10.905 17.625 1.00 0.00 H new ATOM 1679 N ILE A 119 -7.490 15.025 17.182 1.00 0.00 N ATOM 1680 CA ILE A 119 -6.181 15.539 17.676 1.00 0.00 C ATOM 1681 C ILE A 119 -6.365 16.152 19.066 1.00 0.00 C ATOM 1682 O ILE A 119 -5.532 15.998 19.937 1.00 0.00 O ATOM 1683 CB ILE A 119 -5.657 16.606 16.711 1.00 0.00 C ATOM 1684 CG1 ILE A 119 -5.448 15.988 15.327 1.00 0.00 C ATOM 1685 CG2 ILE A 119 -4.326 17.152 17.229 1.00 0.00 C ATOM 1686 CD1 ILE A 119 -5.193 17.098 14.306 1.00 0.00 C ATOM 0 H ILE A 119 -7.805 15.418 16.295 1.00 0.00 H new ATOM 0 HA ILE A 119 -5.466 14.719 17.734 1.00 0.00 H new ATOM 0 HB ILE A 119 -6.382 17.417 16.641 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -4.604 15.298 15.349 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -6.326 15.409 15.039 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -3.952 17.912 16.542 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -4.473 17.594 18.214 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -3.602 16.340 17.300 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -5.044 16.658 13.320 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -6.050 17.770 14.278 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -4.302 17.658 14.592 1.00 0.00 H new ATOM 1698 N GLY A 120 -7.449 16.846 19.281 1.00 0.00 N ATOM 1699 CA GLY A 120 -7.684 17.466 20.615 1.00 0.00 C ATOM 1700 C GLY A 120 -8.002 16.374 21.639 1.00 0.00 C ATOM 1701 O GLY A 120 -7.620 16.458 22.789 1.00 0.00 O ATOM 0 H GLY A 120 -8.182 17.010 18.591 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -6.803 18.026 20.927 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -8.509 18.176 20.557 1.00 0.00 H new ATOM 1705 N MET A 121 -8.703 15.351 21.232 1.00 0.00 N ATOM 1706 CA MET A 121 -9.047 14.257 22.184 1.00 0.00 C ATOM 1707 C MET A 121 -7.763 13.659 22.764 1.00 0.00 C ATOM 1708 O MET A 121 -7.682 13.359 23.938 1.00 0.00 O ATOM 1709 CB MET A 121 -9.828 13.167 21.447 1.00 0.00 C ATOM 1710 CG MET A 121 -10.348 12.142 22.458 1.00 0.00 C ATOM 1711 SD MET A 121 -11.087 10.746 21.575 1.00 0.00 S ATOM 1712 CE MET A 121 -12.429 11.665 20.779 1.00 0.00 C ATOM 0 H MET A 121 -9.052 15.226 20.282 1.00 0.00 H new ATOM 0 HA MET A 121 -9.657 14.660 22.993 1.00 0.00 H new ATOM 0 HB2 MET A 121 -10.661 13.608 20.899 1.00 0.00 H new ATOM 0 HB3 MET A 121 -9.187 12.678 20.714 1.00 0.00 H new ATOM 0 HG2 MET A 121 -9.532 11.794 23.092 1.00 0.00 H new ATOM 0 HG3 MET A 121 -11.087 12.604 23.113 1.00 0.00 H new ATOM 0 HE1 MET A 121 -13.244 10.983 20.538 1.00 0.00 H new ATOM 0 HE2 MET A 121 -12.792 12.439 21.456 1.00 0.00 H new ATOM 0 HE3 MET A 121 -12.060 12.128 19.863 1.00 0.00 H new ATOM 1722 N PHE A 122 -6.760 13.482 21.949 1.00 0.00 N ATOM 1723 CA PHE A 122 -5.483 12.903 22.454 1.00 0.00 C ATOM 1724 C PHE A 122 -4.861 13.851 23.482 1.00 0.00 C ATOM 1725 O PHE A 122 -4.152 13.432 24.377 1.00 0.00 O ATOM 1726 CB PHE A 122 -4.515 12.709 21.287 1.00 0.00 C ATOM 1727 CG PHE A 122 -5.094 11.708 20.315 1.00 0.00 C ATOM 1728 CD1 PHE A 122 -5.261 10.374 20.701 1.00 0.00 C ATOM 1729 CD2 PHE A 122 -5.465 12.117 19.028 1.00 0.00 C ATOM 1730 CE1 PHE A 122 -5.799 9.447 19.801 1.00 0.00 C ATOM 1731 CE2 PHE A 122 -6.003 11.190 18.127 1.00 0.00 C ATOM 1732 CZ PHE A 122 -6.170 9.855 18.513 1.00 0.00 C ATOM 0 H PHE A 122 -6.769 13.713 20.956 1.00 0.00 H new ATOM 0 HA PHE A 122 -5.683 11.940 22.925 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -4.339 13.660 20.785 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -3.550 12.359 21.655 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -4.975 10.059 21.694 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -5.336 13.147 18.731 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -5.928 8.417 20.099 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -6.289 11.505 17.134 1.00 0.00 H new ATOM 0 HZ PHE A 122 -6.585 9.140 17.818 1.00 0.00 H new ATOM 1742 N ALA A 123 -5.119 15.124 23.362 1.00 0.00 N ATOM 1743 CA ALA A 123 -4.541 16.094 24.334 1.00 0.00 C ATOM 1744 C ALA A 123 -5.122 15.834 25.725 1.00 0.00 C ATOM 1745 O ALA A 123 -4.457 15.999 26.728 1.00 0.00 O ATOM 1746 CB ALA A 123 -4.884 17.520 23.897 1.00 0.00 C ATOM 0 H ALA A 123 -5.704 15.534 22.634 1.00 0.00 H new ATOM 0 HA ALA A 123 -3.458 15.973 24.365 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -4.461 18.230 24.608 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -4.468 17.707 22.907 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -5.967 17.640 23.865 1.00 0.00 H new