USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 403 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 17 ASN : amide:sc=-0.00849 K(o=-0.0085,f=-2.1!) USER MOD Set 1.2: A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ -114:sc= 0.0912 (180deg=0) USER MOD Single : A 1 SER OG : rot -160:sc= 1.17 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 5 THR OG1 : rot -130:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.133 K(o=-0.13,f=-0.81) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.0453 K(o=0.045,f=-7!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 127:sc= 0.652 USER MOD Single : A 40 THR OG1 : rot -9:sc= 0.599 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00789) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 176:sc= 0 (180deg=-0.00656) USER MOD Single : A 51 THR OG1 : rot -42:sc= 0.0537 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 26.024 31.304 22.887 1.00 0.00 N ATOM 2 CA SER A 1 26.839 32.175 23.756 1.00 0.00 C ATOM 3 C SER A 1 28.029 32.755 23.000 1.00 0.00 C ATOM 4 O SER A 1 28.372 32.260 21.928 1.00 0.00 O ATOM 5 CB SER A 1 27.270 31.431 25.013 1.00 0.00 C ATOM 6 OG SER A 1 28.016 30.277 24.688 1.00 0.00 O ATOM 0 H1 SER A 1 25.087 31.733 22.746 1.00 0.00 H new ATOM 0 H2 SER A 1 26.496 31.192 21.967 1.00 0.00 H new ATOM 0 H3 SER A 1 25.913 30.372 23.335 1.00 0.00 H new ATOM 0 HA SER A 1 26.222 33.017 24.069 1.00 0.00 H new ATOM 0 HB2 SER A 1 27.868 32.090 25.642 1.00 0.00 H new ATOM 0 HB3 SER A 1 26.391 31.149 25.592 1.00 0.00 H new ATOM 0 HG SER A 1 28.006 29.656 25.446 1.00 0.00 H new ATOM 12 N MET A 2 28.631 33.841 23.501 1.00 0.00 N ATOM 13 CA MET A 2 29.519 34.719 22.721 1.00 0.00 C ATOM 14 C MET A 2 30.616 35.467 23.511 1.00 0.00 C ATOM 15 O MET A 2 31.150 36.452 22.994 1.00 0.00 O ATOM 16 CB MET A 2 28.643 35.669 21.874 1.00 0.00 C ATOM 17 CG MET A 2 27.719 36.556 22.725 1.00 0.00 C ATOM 18 SD MET A 2 26.678 37.669 21.749 1.00 0.00 S ATOM 19 CE MET A 2 25.592 38.222 23.089 1.00 0.00 C ATOM 0 H MET A 2 28.515 34.140 24.469 1.00 0.00 H new ATOM 0 HA MET A 2 30.115 34.067 22.082 1.00 0.00 H new ATOM 0 HB2 MET A 2 29.288 36.304 21.267 1.00 0.00 H new ATOM 0 HB3 MET A 2 28.038 35.079 21.186 1.00 0.00 H new ATOM 0 HG2 MET A 2 27.080 35.919 23.337 1.00 0.00 H new ATOM 0 HG3 MET A 2 28.327 37.148 23.409 1.00 0.00 H new ATOM 0 HE1 MET A 2 24.861 38.928 22.696 1.00 0.00 H new ATOM 0 HE2 MET A 2 25.074 37.363 23.516 1.00 0.00 H new ATOM 0 HE3 MET A 2 26.187 38.708 23.862 1.00 0.00 H new ATOM 29 N VAL A 3 31.005 35.021 24.710 1.00 0.00 N ATOM 30 CA VAL A 3 32.216 35.537 25.398 1.00 0.00 C ATOM 31 C VAL A 3 33.476 34.841 24.879 1.00 0.00 C ATOM 32 O VAL A 3 33.421 33.685 24.462 1.00 0.00 O ATOM 33 CB VAL A 3 32.174 35.433 26.944 1.00 0.00 C ATOM 34 CG1 VAL A 3 31.228 36.497 27.524 1.00 0.00 C ATOM 35 CG2 VAL A 3 31.778 34.052 27.483 1.00 0.00 C ATOM 0 H VAL A 3 30.505 34.303 25.233 1.00 0.00 H new ATOM 0 HA VAL A 3 32.239 36.600 25.159 1.00 0.00 H new ATOM 0 HB VAL A 3 33.200 35.604 27.270 1.00 0.00 H new ATOM 0 HG11 VAL A 3 31.208 36.413 28.611 1.00 0.00 H new ATOM 0 HG12 VAL A 3 31.581 37.489 27.244 1.00 0.00 H new ATOM 0 HG13 VAL A 3 30.223 36.344 27.130 1.00 0.00 H new ATOM 0 HG21 VAL A 3 31.775 34.074 28.573 1.00 0.00 H new ATOM 0 HG22 VAL A 3 30.782 33.793 27.123 1.00 0.00 H new ATOM 0 HG23 VAL A 3 32.495 33.307 27.137 1.00 0.00 H new ATOM 45 N ASN A 4 34.624 35.523 24.930 1.00 0.00 N ATOM 46 CA ASN A 4 35.915 34.912 24.605 1.00 0.00 C ATOM 47 C ASN A 4 36.483 34.180 25.830 1.00 0.00 C ATOM 48 O ASN A 4 36.731 34.788 26.870 1.00 0.00 O ATOM 49 CB ASN A 4 36.919 35.965 24.107 1.00 0.00 C ATOM 50 CG ASN A 4 36.571 36.580 22.754 1.00 0.00 C ATOM 51 OD1 ASN A 4 35.846 36.021 21.937 1.00 0.00 O ATOM 52 ND2 ASN A 4 37.145 37.733 22.459 1.00 0.00 N ATOM 0 H ASN A 4 34.684 36.506 25.195 1.00 0.00 H new ATOM 0 HA ASN A 4 35.752 34.191 23.803 1.00 0.00 H new ATOM 0 HB2 ASN A 4 36.988 36.762 24.847 1.00 0.00 H new ATOM 0 HB3 ASN A 4 37.905 35.506 24.040 1.00 0.00 H new ATOM 0 HD21 ASN A 4 36.986 38.163 21.548 1.00 0.00 H new ATOM 0 HD22 ASN A 4 37.747 38.193 23.142 1.00 0.00 H new ATOM 59 N THR A 5 36.753 32.881 25.689 1.00 0.00 N ATOM 60 CA THR A 5 37.522 32.066 26.640 1.00 0.00 C ATOM 61 C THR A 5 38.644 31.379 25.884 1.00 0.00 C ATOM 62 O THR A 5 38.478 30.915 24.756 1.00 0.00 O ATOM 63 CB THR A 5 36.664 30.997 27.323 1.00 0.00 C ATOM 64 OG1 THR A 5 36.132 30.081 26.398 1.00 0.00 O ATOM 65 CG2 THR A 5 35.576 31.619 28.178 1.00 0.00 C ATOM 0 H THR A 5 36.432 32.346 24.882 1.00 0.00 H new ATOM 0 HA THR A 5 37.904 32.728 27.417 1.00 0.00 H new ATOM 0 HB THR A 5 37.322 30.436 27.987 1.00 0.00 H new ATOM 0 HG1 THR A 5 35.169 29.985 26.550 1.00 0.00 H new ATOM 0 HG21 THR A 5 34.987 30.831 28.647 1.00 0.00 H new ATOM 0 HG22 THR A 5 36.030 32.241 28.949 1.00 0.00 H new ATOM 0 HG23 THR A 5 34.928 32.233 27.552 1.00 0.00 H new ATOM 73 N GLY A 6 39.763 31.201 26.570 1.00 0.00 N ATOM 74 CA GLY A 6 40.681 30.095 26.328 1.00 0.00 C ATOM 75 C GLY A 6 40.289 28.759 26.968 1.00 0.00 C ATOM 76 O GLY A 6 41.156 27.901 27.131 1.00 0.00 O ATOM 0 H GLY A 6 40.063 31.826 27.318 1.00 0.00 H new ATOM 0 HA2 GLY A 6 40.771 29.950 25.252 1.00 0.00 H new ATOM 0 HA3 GLY A 6 41.668 30.378 26.695 1.00 0.00 H new ATOM 80 N LEU A 7 39.038 28.568 27.406 1.00 0.00 N ATOM 81 CA LEU A 7 38.631 27.341 28.103 1.00 0.00 C ATOM 82 C LEU A 7 38.641 26.140 27.126 1.00 0.00 C ATOM 83 O LEU A 7 38.566 26.374 25.911 1.00 0.00 O ATOM 84 CB LEU A 7 37.289 27.540 28.842 1.00 0.00 C ATOM 85 CG LEU A 7 37.470 28.093 30.276 1.00 0.00 C ATOM 86 CD1 LEU A 7 36.112 28.546 30.831 1.00 0.00 C ATOM 87 CD2 LEU A 7 38.068 27.056 31.251 1.00 0.00 C ATOM 0 H LEU A 7 38.288 29.250 27.290 1.00 0.00 H new ATOM 0 HA LEU A 7 39.357 27.107 28.881 1.00 0.00 H new ATOM 0 HB2 LEU A 7 36.663 28.224 28.270 1.00 0.00 H new ATOM 0 HB3 LEU A 7 36.761 26.588 28.889 1.00 0.00 H new ATOM 0 HG LEU A 7 38.168 28.927 30.201 1.00 0.00 H new ATOM 0 HD11 LEU A 7 36.243 28.935 31.841 1.00 0.00 H new ATOM 0 HD12 LEU A 7 35.700 29.327 30.192 1.00 0.00 H new ATOM 0 HD13 LEU A 7 35.427 27.698 30.855 1.00 0.00 H new ATOM 0 HD21 LEU A 7 38.171 27.503 32.240 1.00 0.00 H new ATOM 0 HD22 LEU A 7 37.408 26.190 31.311 1.00 0.00 H new ATOM 0 HD23 LEU A 7 39.048 26.741 30.892 1.00 0.00 H new ATOM 99 N PRO A 8 38.753 24.884 27.611 1.00 0.00 N ATOM 100 CA PRO A 8 38.710 23.696 26.759 1.00 0.00 C ATOM 101 C PRO A 8 37.264 23.449 26.295 1.00 0.00 C ATOM 102 O PRO A 8 36.400 24.285 26.543 1.00 0.00 O ATOM 103 CB PRO A 8 39.255 22.586 27.662 1.00 0.00 C ATOM 104 CG PRO A 8 38.591 22.940 28.983 1.00 0.00 C ATOM 105 CD PRO A 8 38.776 24.457 29.011 1.00 0.00 C ATOM 0 HA PRO A 8 39.294 23.773 25.842 1.00 0.00 H new ATOM 0 HB2 PRO A 8 38.974 21.593 27.311 1.00 0.00 H new ATOM 0 HB3 PRO A 8 40.343 22.604 27.728 1.00 0.00 H new ATOM 0 HG2 PRO A 8 37.540 22.653 29.005 1.00 0.00 H new ATOM 0 HG3 PRO A 8 39.073 22.451 29.830 1.00 0.00 H new ATOM 0 HD2 PRO A 8 37.981 24.938 29.580 1.00 0.00 H new ATOM 0 HD3 PRO A 8 39.718 24.728 29.488 1.00 0.00 H new ATOM 113 N ALA A 9 36.965 22.306 25.664 1.00 0.00 N ATOM 114 CA ALA A 9 35.634 22.010 25.104 1.00 0.00 C ATOM 115 C ALA A 9 34.458 22.163 26.099 1.00 0.00 C ATOM 116 O ALA A 9 33.328 22.414 25.671 1.00 0.00 O ATOM 117 CB ALA A 9 35.681 20.605 24.486 1.00 0.00 C ATOM 0 H ALA A 9 37.641 21.555 25.525 1.00 0.00 H new ATOM 0 HA ALA A 9 35.421 22.763 24.345 1.00 0.00 H new ATOM 0 HB1 ALA A 9 34.706 20.361 24.064 1.00 0.00 H new ATOM 0 HB2 ALA A 9 36.435 20.579 23.699 1.00 0.00 H new ATOM 0 HB3 ALA A 9 35.935 19.877 25.256 1.00 0.00 H new ATOM 123 N GLY A 10 34.728 22.070 27.407 1.00 0.00 N ATOM 124 CA GLY A 10 33.846 22.478 28.503 1.00 0.00 C ATOM 125 C GLY A 10 34.046 23.945 28.878 1.00 0.00 C ATOM 126 O GLY A 10 34.694 24.249 29.877 1.00 0.00 O ATOM 0 H GLY A 10 35.612 21.689 27.744 1.00 0.00 H new ATOM 0 HA2 GLY A 10 32.808 22.315 28.213 1.00 0.00 H new ATOM 0 HA3 GLY A 10 34.036 21.851 29.374 1.00 0.00 H new ATOM 130 N TRP A 11 33.486 24.846 28.064 1.00 0.00 N ATOM 131 CA TRP A 11 33.605 26.306 28.221 1.00 0.00 C ATOM 132 C TRP A 11 32.311 27.048 28.633 1.00 0.00 C ATOM 133 O TRP A 11 32.375 28.248 28.910 1.00 0.00 O ATOM 134 CB TRP A 11 34.193 26.895 26.923 1.00 0.00 C ATOM 135 CG TRP A 11 33.412 26.694 25.649 1.00 0.00 C ATOM 136 CD1 TRP A 11 32.144 27.115 25.428 1.00 0.00 C ATOM 137 CD2 TRP A 11 33.842 26.088 24.381 1.00 0.00 C ATOM 138 NE1 TRP A 11 31.746 26.769 24.154 1.00 0.00 N ATOM 139 CE2 TRP A 11 32.752 26.138 23.459 1.00 0.00 C ATOM 140 CE3 TRP A 11 35.045 25.530 23.893 1.00 0.00 C ATOM 141 CZ2 TRP A 11 32.842 25.648 22.148 1.00 0.00 C ATOM 142 CZ3 TRP A 11 35.147 25.016 22.585 1.00 0.00 C ATOM 143 CH2 TRP A 11 34.049 25.075 21.709 1.00 0.00 C ATOM 0 H TRP A 11 32.923 24.577 27.257 1.00 0.00 H new ATOM 0 HA TRP A 11 34.271 26.467 29.069 1.00 0.00 H new ATOM 0 HB2 TRP A 11 34.326 27.967 27.070 1.00 0.00 H new ATOM 0 HB3 TRP A 11 35.186 26.468 26.780 1.00 0.00 H new ATOM 0 HD1 TRP A 11 31.534 27.644 26.145 1.00 0.00 H new ATOM 0 HE1 TRP A 11 30.819 26.958 23.773 1.00 0.00 H new ATOM 0 HE3 TRP A 11 35.909 25.497 24.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 31.994 25.710 21.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 36.075 24.574 22.253 1.00 0.00 H new ATOM 0 HH2 TRP A 11 34.132 24.683 20.706 1.00 0.00 H new ATOM 154 N GLU A 12 31.140 26.399 28.656 1.00 0.00 N ATOM 155 CA GLU A 12 29.846 27.066 28.886 1.00 0.00 C ATOM 156 C GLU A 12 29.507 27.129 30.387 1.00 0.00 C ATOM 157 O GLU A 12 29.198 26.102 30.982 1.00 0.00 O ATOM 158 CB GLU A 12 28.745 26.315 28.111 1.00 0.00 C ATOM 159 CG GLU A 12 27.369 27.003 28.144 1.00 0.00 C ATOM 160 CD GLU A 12 27.196 28.045 27.040 1.00 0.00 C ATOM 161 OE1 GLU A 12 28.051 28.947 26.895 1.00 0.00 O ATOM 162 OE2 GLU A 12 26.182 27.979 26.304 1.00 0.00 O ATOM 0 H GLU A 12 31.060 25.392 28.515 1.00 0.00 H new ATOM 0 HA GLU A 12 29.910 28.093 28.525 1.00 0.00 H new ATOM 0 HB2 GLU A 12 29.058 26.204 27.073 1.00 0.00 H new ATOM 0 HB3 GLU A 12 28.647 25.311 28.523 1.00 0.00 H new ATOM 0 HG2 GLU A 12 26.589 26.248 28.049 1.00 0.00 H new ATOM 0 HG3 GLU A 12 27.232 27.482 29.113 1.00 0.00 H new ATOM 169 N VAL A 13 29.528 28.310 31.013 1.00 0.00 N ATOM 170 CA VAL A 13 29.207 28.464 32.446 1.00 0.00 C ATOM 171 C VAL A 13 27.773 28.025 32.782 1.00 0.00 C ATOM 172 O VAL A 13 26.814 28.360 32.082 1.00 0.00 O ATOM 173 CB VAL A 13 29.485 29.899 32.952 1.00 0.00 C ATOM 174 CG1 VAL A 13 28.500 30.951 32.410 1.00 0.00 C ATOM 175 CG2 VAL A 13 29.542 29.980 34.482 1.00 0.00 C ATOM 0 H VAL A 13 29.766 29.186 30.548 1.00 0.00 H new ATOM 0 HA VAL A 13 29.878 27.790 32.978 1.00 0.00 H new ATOM 0 HB VAL A 13 30.469 30.140 32.551 1.00 0.00 H new ATOM 0 HG11 VAL A 13 28.759 31.932 32.809 1.00 0.00 H new ATOM 0 HG12 VAL A 13 28.556 30.976 31.322 1.00 0.00 H new ATOM 0 HG13 VAL A 13 27.486 30.692 32.715 1.00 0.00 H new ATOM 0 HG21 VAL A 13 29.740 31.008 34.785 1.00 0.00 H new ATOM 0 HG22 VAL A 13 28.589 29.656 34.899 1.00 0.00 H new ATOM 0 HG23 VAL A 13 30.338 29.334 34.851 1.00 0.00 H new ATOM 185 N ARG A 14 27.637 27.296 33.893 1.00 0.00 N ATOM 186 CA ARG A 14 26.372 26.854 34.479 1.00 0.00 C ATOM 187 C ARG A 14 26.374 27.127 35.992 1.00 0.00 C ATOM 188 O ARG A 14 27.123 26.516 36.760 1.00 0.00 O ATOM 189 CB ARG A 14 26.180 25.348 34.223 1.00 0.00 C ATOM 190 CG ARG A 14 26.096 24.877 32.757 1.00 0.00 C ATOM 191 CD ARG A 14 24.744 25.116 32.073 1.00 0.00 C ATOM 192 NE ARG A 14 24.544 26.523 31.696 1.00 0.00 N ATOM 193 CZ ARG A 14 23.396 27.055 31.298 1.00 0.00 C ATOM 194 NH1 ARG A 14 22.304 26.342 31.138 1.00 0.00 N ATOM 195 NH2 ARG A 14 23.318 28.338 31.033 1.00 0.00 N ATOM 0 H ARG A 14 28.445 26.984 34.432 1.00 0.00 H new ATOM 0 HA ARG A 14 25.552 27.405 34.018 1.00 0.00 H new ATOM 0 HB2 ARG A 14 27.005 24.819 34.699 1.00 0.00 H new ATOM 0 HB3 ARG A 14 25.267 25.035 34.729 1.00 0.00 H new ATOM 0 HG2 ARG A 14 26.871 25.386 32.183 1.00 0.00 H new ATOM 0 HG3 ARG A 14 26.321 23.811 32.721 1.00 0.00 H new ATOM 0 HD2 ARG A 14 24.676 24.491 31.182 1.00 0.00 H new ATOM 0 HD3 ARG A 14 23.942 24.805 32.742 1.00 0.00 H new ATOM 0 HE ARG A 14 25.354 27.141 31.744 1.00 0.00 H new ATOM 0 HH11 ARG A 14 22.318 25.339 31.322 1.00 0.00 H new ATOM 0 HH12 ARG A 14 21.442 26.792 30.830 1.00 0.00 H new ATOM 0 HH21 ARG A 14 24.142 28.930 31.133 1.00 0.00 H new ATOM 0 HH22 ARG A 14 22.433 28.743 30.727 1.00 0.00 H new ATOM 209 N HIS A 15 25.516 28.048 36.432 1.00 0.00 N ATOM 210 CA HIS A 15 25.270 28.344 37.851 1.00 0.00 C ATOM 211 C HIS A 15 23.935 27.746 38.347 1.00 0.00 C ATOM 212 O HIS A 15 23.022 27.505 37.557 1.00 0.00 O ATOM 213 CB HIS A 15 25.384 29.855 38.092 1.00 0.00 C ATOM 214 CG HIS A 15 24.325 30.701 37.441 1.00 0.00 C ATOM 215 ND1 HIS A 15 23.089 31.016 38.008 1.00 0.00 N ATOM 216 CD2 HIS A 15 24.462 31.385 36.269 1.00 0.00 C ATOM 217 CE1 HIS A 15 22.499 31.861 37.146 1.00 0.00 C ATOM 218 NE2 HIS A 15 23.301 32.104 36.095 1.00 0.00 N ATOM 0 H HIS A 15 24.959 28.624 35.801 1.00 0.00 H new ATOM 0 HA HIS A 15 26.038 27.855 38.451 1.00 0.00 H new ATOM 0 HB2 HIS A 15 25.358 30.036 39.167 1.00 0.00 H new ATOM 0 HB3 HIS A 15 26.359 30.188 37.736 1.00 0.00 H new ATOM 0 HD2 HIS A 15 25.315 31.366 35.607 1.00 0.00 H new ATOM 0 HE1 HIS A 15 21.515 32.287 37.279 1.00 0.00 H new ATOM 0 HE2 HIS A 15 23.087 32.714 35.306 1.00 0.00 H new ATOM 226 N SER A 16 23.816 27.491 39.646 1.00 0.00 N ATOM 227 CA SER A 16 22.686 26.786 40.270 1.00 0.00 C ATOM 228 C SER A 16 22.638 27.066 41.780 1.00 0.00 C ATOM 229 O SER A 16 23.650 27.451 42.371 1.00 0.00 O ATOM 230 CB SER A 16 22.802 25.273 40.004 1.00 0.00 C ATOM 231 OG SER A 16 23.951 24.695 40.613 1.00 0.00 O ATOM 0 H SER A 16 24.524 27.777 40.322 1.00 0.00 H new ATOM 0 HA SER A 16 21.759 27.152 39.829 1.00 0.00 H new ATOM 0 HB2 SER A 16 21.908 24.773 40.377 1.00 0.00 H new ATOM 0 HB3 SER A 16 22.839 25.099 38.929 1.00 0.00 H new ATOM 0 HG SER A 16 23.978 23.735 40.416 1.00 0.00 H new ATOM 237 N ASN A 17 21.487 26.900 42.444 1.00 0.00 N ATOM 238 CA ASN A 17 21.409 27.114 43.899 1.00 0.00 C ATOM 239 C ASN A 17 22.039 25.968 44.727 1.00 0.00 C ATOM 240 O ASN A 17 22.398 26.175 45.888 1.00 0.00 O ATOM 241 CB ASN A 17 19.969 27.456 44.328 1.00 0.00 C ATOM 242 CG ASN A 17 18.938 26.338 44.205 1.00 0.00 C ATOM 243 OD1 ASN A 17 19.214 25.209 43.815 1.00 0.00 O ATOM 244 ND2 ASN A 17 17.698 26.621 44.545 1.00 0.00 N ATOM 0 H ASN A 17 20.608 26.622 42.007 1.00 0.00 H new ATOM 0 HA ASN A 17 22.029 27.981 44.127 1.00 0.00 H new ATOM 0 HB2 ASN A 17 19.992 27.786 45.367 1.00 0.00 H new ATOM 0 HB3 ASN A 17 19.627 28.302 43.732 1.00 0.00 H new ATOM 0 HD21 ASN A 17 16.976 25.903 44.483 1.00 0.00 H new ATOM 0 HD22 ASN A 17 17.460 27.558 44.871 1.00 0.00 H new ATOM 251 N SER A 18 22.223 24.784 44.137 1.00 0.00 N ATOM 252 CA SER A 18 22.720 23.568 44.800 1.00 0.00 C ATOM 253 C SER A 18 24.240 23.605 45.055 1.00 0.00 C ATOM 254 O SER A 18 24.729 23.024 46.029 1.00 0.00 O ATOM 255 CB SER A 18 22.382 22.341 43.928 1.00 0.00 C ATOM 256 OG SER A 18 21.093 22.434 43.328 1.00 0.00 O ATOM 0 H SER A 18 22.023 24.637 43.148 1.00 0.00 H new ATOM 0 HA SER A 18 22.230 23.505 45.772 1.00 0.00 H new ATOM 0 HB2 SER A 18 23.135 22.236 43.147 1.00 0.00 H new ATOM 0 HB3 SER A 18 22.430 21.440 44.540 1.00 0.00 H new ATOM 0 HG SER A 18 20.926 21.635 42.785 1.00 0.00 H new ATOM 262 N LYS A 19 24.998 24.300 44.198 1.00 0.00 N ATOM 263 CA LYS A 19 26.466 24.388 44.241 1.00 0.00 C ATOM 264 C LYS A 19 26.928 25.788 44.684 1.00 0.00 C ATOM 265 O LYS A 19 26.291 26.789 44.350 1.00 0.00 O ATOM 266 CB LYS A 19 27.031 24.019 42.853 1.00 0.00 C ATOM 267 CG LYS A 19 26.697 22.571 42.445 1.00 0.00 C ATOM 268 CD LYS A 19 27.031 22.264 40.976 1.00 0.00 C ATOM 269 CE LYS A 19 28.523 22.205 40.639 1.00 0.00 C ATOM 270 NZ LYS A 19 29.190 21.044 41.269 1.00 0.00 N ATOM 0 H LYS A 19 24.594 24.835 43.429 1.00 0.00 H new ATOM 0 HA LYS A 19 26.848 23.684 44.980 1.00 0.00 H new ATOM 0 HB2 LYS A 19 26.630 24.705 42.107 1.00 0.00 H new ATOM 0 HB3 LYS A 19 28.113 24.151 42.858 1.00 0.00 H new ATOM 0 HG2 LYS A 19 27.247 21.883 43.087 1.00 0.00 H new ATOM 0 HG3 LYS A 19 25.636 22.388 42.616 1.00 0.00 H new ATOM 0 HD2 LYS A 19 26.578 21.309 40.710 1.00 0.00 H new ATOM 0 HD3 LYS A 19 26.564 23.024 40.349 1.00 0.00 H new ATOM 0 HE2 LYS A 19 28.648 22.152 39.558 1.00 0.00 H new ATOM 0 HE3 LYS A 19 29.006 23.124 40.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 30.198 21.043 41.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 29.094 21.107 42.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 28.747 20.165 40.933 1.00 0.00 H new ATOM 284 N ASN A 20 28.046 25.880 45.415 1.00 0.00 N ATOM 285 CA ASN A 20 28.584 27.156 45.923 1.00 0.00 C ATOM 286 C ASN A 20 29.555 27.876 44.945 1.00 0.00 C ATOM 287 O ASN A 20 30.248 28.825 45.318 1.00 0.00 O ATOM 288 CB ASN A 20 29.200 26.912 47.311 1.00 0.00 C ATOM 289 CG ASN A 20 29.404 28.209 48.089 1.00 0.00 C ATOM 290 OD1 ASN A 20 28.598 29.129 48.023 1.00 0.00 O ATOM 291 ND2 ASN A 20 30.484 28.318 48.838 1.00 0.00 N ATOM 0 H ASN A 20 28.608 25.069 45.674 1.00 0.00 H new ATOM 0 HA ASN A 20 27.756 27.859 46.012 1.00 0.00 H new ATOM 0 HB2 ASN A 20 28.552 26.246 47.882 1.00 0.00 H new ATOM 0 HB3 ASN A 20 30.158 26.404 47.197 1.00 0.00 H new ATOM 0 HD21 ASN A 20 30.653 29.173 49.368 1.00 0.00 H new ATOM 0 HD22 ASN A 20 31.150 27.547 48.888 1.00 0.00 H new ATOM 298 N LEU A 21 29.603 27.421 43.687 1.00 0.00 N ATOM 299 CA LEU A 21 30.320 28.016 42.551 1.00 0.00 C ATOM 300 C LEU A 21 29.827 27.366 41.237 1.00 0.00 C ATOM 301 O LEU A 21 29.283 26.255 41.296 1.00 0.00 O ATOM 302 CB LEU A 21 31.856 27.947 42.760 1.00 0.00 C ATOM 303 CG LEU A 21 32.584 26.685 42.264 1.00 0.00 C ATOM 304 CD1 LEU A 21 34.095 26.861 42.473 1.00 0.00 C ATOM 305 CD2 LEU A 21 32.132 25.411 42.993 1.00 0.00 C ATOM 0 H LEU A 21 29.109 26.570 43.417 1.00 0.00 H new ATOM 0 HA LEU A 21 30.096 29.080 42.480 1.00 0.00 H new ATOM 0 HB2 LEU A 21 32.302 28.809 42.265 1.00 0.00 H new ATOM 0 HB3 LEU A 21 32.056 28.053 43.826 1.00 0.00 H new ATOM 0 HG LEU A 21 32.339 26.566 41.209 1.00 0.00 H new ATOM 0 HD11 LEU A 21 34.617 25.970 42.124 1.00 0.00 H new ATOM 0 HD12 LEU A 21 34.441 27.728 41.911 1.00 0.00 H new ATOM 0 HD13 LEU A 21 34.301 27.010 43.533 1.00 0.00 H new ATOM 0 HD21 LEU A 21 32.680 24.554 42.601 1.00 0.00 H new ATOM 0 HD22 LEU A 21 32.331 25.512 44.060 1.00 0.00 H new ATOM 0 HD23 LEU A 21 31.064 25.262 42.836 1.00 0.00 H new ATOM 317 N PRO A 22 30.009 28.007 40.066 1.00 0.00 N ATOM 318 CA PRO A 22 29.543 27.478 38.793 1.00 0.00 C ATOM 319 C PRO A 22 30.431 26.328 38.301 1.00 0.00 C ATOM 320 O PRO A 22 31.521 26.079 38.822 1.00 0.00 O ATOM 321 CB PRO A 22 29.562 28.671 37.830 1.00 0.00 C ATOM 322 CG PRO A 22 30.736 29.501 38.347 1.00 0.00 C ATOM 323 CD PRO A 22 30.695 29.275 39.861 1.00 0.00 C ATOM 0 HA PRO A 22 28.544 27.049 38.874 1.00 0.00 H new ATOM 0 HB2 PRO A 22 29.713 28.356 36.798 1.00 0.00 H new ATOM 0 HB3 PRO A 22 28.627 29.230 37.859 1.00 0.00 H new ATOM 0 HG2 PRO A 22 31.681 29.170 37.917 1.00 0.00 H new ATOM 0 HG3 PRO A 22 30.623 30.556 38.095 1.00 0.00 H new ATOM 0 HD2 PRO A 22 31.702 29.244 40.277 1.00 0.00 H new ATOM 0 HD3 PRO A 22 30.168 30.088 40.361 1.00 0.00 H new ATOM 331 N TYR A 23 29.965 25.638 37.263 1.00 0.00 N ATOM 332 CA TYR A 23 30.749 24.664 36.496 1.00 0.00 C ATOM 333 C TYR A 23 30.716 24.986 34.995 1.00 0.00 C ATOM 334 O TYR A 23 29.729 25.520 34.497 1.00 0.00 O ATOM 335 CB TYR A 23 30.238 23.249 36.786 1.00 0.00 C ATOM 336 CG TYR A 23 28.819 22.933 36.341 1.00 0.00 C ATOM 337 CD1 TYR A 23 27.741 23.172 37.218 1.00 0.00 C ATOM 338 CD2 TYR A 23 28.574 22.369 35.074 1.00 0.00 C ATOM 339 CE1 TYR A 23 26.428 22.834 36.840 1.00 0.00 C ATOM 340 CE2 TYR A 23 27.263 22.026 34.689 1.00 0.00 C ATOM 341 CZ TYR A 23 26.187 22.264 35.571 1.00 0.00 C ATOM 342 OH TYR A 23 24.920 21.944 35.205 1.00 0.00 O ATOM 0 H TYR A 23 29.010 25.741 36.921 1.00 0.00 H new ATOM 0 HA TYR A 23 31.792 24.722 36.807 1.00 0.00 H new ATOM 0 HB2 TYR A 23 30.912 22.539 36.307 1.00 0.00 H new ATOM 0 HB3 TYR A 23 30.305 23.076 37.860 1.00 0.00 H new ATOM 0 HD1 TYR A 23 27.924 23.617 38.185 1.00 0.00 H new ATOM 0 HD2 TYR A 23 29.396 22.199 34.394 1.00 0.00 H new ATOM 0 HE1 TYR A 23 25.607 23.010 37.519 1.00 0.00 H new ATOM 0 HE2 TYR A 23 27.082 21.582 33.721 1.00 0.00 H new ATOM 0 HH TYR A 23 24.927 21.563 34.302 1.00 0.00 H new ATOM 352 N TYR A 24 31.795 24.678 34.273 1.00 0.00 N ATOM 353 CA TYR A 24 31.945 25.016 32.852 1.00 0.00 C ATOM 354 C TYR A 24 31.721 23.759 31.989 1.00 0.00 C ATOM 355 O TYR A 24 32.518 22.821 32.000 1.00 0.00 O ATOM 356 CB TYR A 24 33.308 25.695 32.634 1.00 0.00 C ATOM 357 CG TYR A 24 33.564 26.872 33.569 1.00 0.00 C ATOM 358 CD1 TYR A 24 33.039 28.147 33.280 1.00 0.00 C ATOM 359 CD2 TYR A 24 34.286 26.678 34.766 1.00 0.00 C ATOM 360 CE1 TYR A 24 33.220 29.215 34.183 1.00 0.00 C ATOM 361 CE2 TYR A 24 34.464 27.739 35.677 1.00 0.00 C ATOM 362 CZ TYR A 24 33.922 29.012 35.395 1.00 0.00 C ATOM 363 OH TYR A 24 34.070 30.034 36.288 1.00 0.00 O ATOM 0 H TYR A 24 32.598 24.182 34.660 1.00 0.00 H new ATOM 0 HA TYR A 24 31.187 25.733 32.536 1.00 0.00 H new ATOM 0 HB2 TYR A 24 34.098 24.956 32.770 1.00 0.00 H new ATOM 0 HB3 TYR A 24 33.370 26.042 31.603 1.00 0.00 H new ATOM 0 HD1 TYR A 24 32.495 28.308 32.361 1.00 0.00 H new ATOM 0 HD2 TYR A 24 34.706 25.708 34.986 1.00 0.00 H new ATOM 0 HE1 TYR A 24 32.822 30.191 33.949 1.00 0.00 H new ATOM 0 HE2 TYR A 24 35.015 27.578 36.592 1.00 0.00 H new ATOM 0 HH TYR A 24 34.577 29.719 37.065 1.00 0.00 H new ATOM 373 N PHE A 25 30.580 23.705 31.304 1.00 0.00 N ATOM 374 CA PHE A 25 30.020 22.517 30.663 1.00 0.00 C ATOM 375 C PHE A 25 30.385 22.411 29.173 1.00 0.00 C ATOM 376 O PHE A 25 30.540 23.423 28.484 1.00 0.00 O ATOM 377 CB PHE A 25 28.498 22.575 30.849 1.00 0.00 C ATOM 378 CG PHE A 25 27.773 21.315 30.426 1.00 0.00 C ATOM 379 CD1 PHE A 25 27.858 20.162 31.230 1.00 0.00 C ATOM 380 CD2 PHE A 25 27.026 21.284 29.233 1.00 0.00 C ATOM 381 CE1 PHE A 25 27.195 18.984 30.848 1.00 0.00 C ATOM 382 CE2 PHE A 25 26.345 20.111 28.865 1.00 0.00 C ATOM 383 CZ PHE A 25 26.430 18.961 29.671 1.00 0.00 C ATOM 0 H PHE A 25 29.993 24.529 31.175 1.00 0.00 H new ATOM 0 HA PHE A 25 30.443 21.627 31.129 1.00 0.00 H new ATOM 0 HB2 PHE A 25 28.279 22.772 31.898 1.00 0.00 H new ATOM 0 HB3 PHE A 25 28.105 23.416 30.278 1.00 0.00 H new ATOM 0 HD1 PHE A 25 28.435 20.183 32.143 1.00 0.00 H new ATOM 0 HD2 PHE A 25 26.976 22.159 28.602 1.00 0.00 H new ATOM 0 HE1 PHE A 25 27.274 18.097 31.459 1.00 0.00 H new ATOM 0 HE2 PHE A 25 25.755 20.092 27.961 1.00 0.00 H new ATOM 0 HZ PHE A 25 25.907 18.061 29.384 1.00 0.00 H new ATOM 393 N ASN A 26 30.488 21.178 28.672 1.00 0.00 N ATOM 394 CA ASN A 26 30.656 20.856 27.253 1.00 0.00 C ATOM 395 C ASN A 26 29.292 20.453 26.635 1.00 0.00 C ATOM 396 O ASN A 26 28.749 19.403 26.989 1.00 0.00 O ATOM 397 CB ASN A 26 31.714 19.741 27.110 1.00 0.00 C ATOM 398 CG ASN A 26 31.999 19.342 25.659 1.00 0.00 C ATOM 399 OD1 ASN A 26 31.367 19.812 24.718 1.00 0.00 O ATOM 400 ND2 ASN A 26 32.964 18.477 25.411 1.00 0.00 N ATOM 0 H ASN A 26 30.456 20.348 29.263 1.00 0.00 H new ATOM 0 HA ASN A 26 31.010 21.730 26.706 1.00 0.00 H new ATOM 0 HB2 ASN A 26 32.643 20.072 27.575 1.00 0.00 H new ATOM 0 HB3 ASN A 26 31.378 18.862 27.660 1.00 0.00 H new ATOM 0 HD21 ASN A 26 33.174 18.209 24.449 1.00 0.00 H new ATOM 0 HD22 ASN A 26 33.500 18.076 26.181 1.00 0.00 H new ATOM 407 N PRO A 27 28.722 21.237 25.695 1.00 0.00 N ATOM 408 CA PRO A 27 27.476 20.882 25.013 1.00 0.00 C ATOM 409 C PRO A 27 27.635 19.736 24.002 1.00 0.00 C ATOM 410 O PRO A 27 26.680 18.989 23.787 1.00 0.00 O ATOM 411 CB PRO A 27 27.014 22.165 24.315 1.00 0.00 C ATOM 412 CG PRO A 27 28.306 22.947 24.086 1.00 0.00 C ATOM 413 CD PRO A 27 29.148 22.576 25.305 1.00 0.00 C ATOM 0 HA PRO A 27 26.749 20.510 25.735 1.00 0.00 H new ATOM 0 HB2 PRO A 27 26.507 21.948 23.375 1.00 0.00 H new ATOM 0 HB3 PRO A 27 26.313 22.725 24.933 1.00 0.00 H new ATOM 0 HG2 PRO A 27 28.794 22.658 23.155 1.00 0.00 H new ATOM 0 HG3 PRO A 27 28.125 24.020 24.031 1.00 0.00 H new ATOM 0 HD2 PRO A 27 30.211 22.593 25.065 1.00 0.00 H new ATOM 0 HD3 PRO A 27 28.993 23.287 26.117 1.00 0.00 H new ATOM 421 N ALA A 28 28.813 19.577 23.384 1.00 0.00 N ATOM 422 CA ALA A 28 29.035 18.648 22.273 1.00 0.00 C ATOM 423 C ALA A 28 29.255 17.191 22.724 1.00 0.00 C ATOM 424 O ALA A 28 28.731 16.270 22.087 1.00 0.00 O ATOM 425 CB ALA A 28 30.223 19.169 21.457 1.00 0.00 C ATOM 0 H ALA A 28 29.649 20.099 23.647 1.00 0.00 H new ATOM 0 HA ALA A 28 28.133 18.614 21.663 1.00 0.00 H new ATOM 0 HB1 ALA A 28 30.413 18.496 20.621 1.00 0.00 H new ATOM 0 HB2 ALA A 28 29.995 20.165 21.077 1.00 0.00 H new ATOM 0 HB3 ALA A 28 31.108 19.217 22.092 1.00 0.00 H new ATOM 431 N THR A 29 29.971 16.988 23.838 1.00 0.00 N ATOM 432 CA THR A 29 30.115 15.711 24.562 1.00 0.00 C ATOM 433 C THR A 29 29.771 15.960 26.021 1.00 0.00 C ATOM 434 O THR A 29 30.210 16.967 26.562 1.00 0.00 O ATOM 435 CB THR A 29 31.553 15.183 24.476 1.00 0.00 C ATOM 436 OG1 THR A 29 31.873 14.934 23.132 1.00 0.00 O ATOM 437 CG2 THR A 29 31.761 13.871 25.230 1.00 0.00 C ATOM 0 H THR A 29 30.492 17.744 24.283 1.00 0.00 H new ATOM 0 HA THR A 29 29.452 14.970 24.115 1.00 0.00 H new ATOM 0 HB THR A 29 32.186 15.948 24.926 1.00 0.00 H new ATOM 0 HG1 THR A 29 32.792 14.598 23.071 1.00 0.00 H new ATOM 0 HG21 THR A 29 32.799 13.554 25.128 1.00 0.00 H new ATOM 0 HG22 THR A 29 31.528 14.017 26.285 1.00 0.00 H new ATOM 0 HG23 THR A 29 31.105 13.105 24.816 1.00 0.00 H new ATOM 445 N ARG A 30 29.044 15.055 26.681 1.00 0.00 N ATOM 446 CA ARG A 30 28.682 15.196 28.095 1.00 0.00 C ATOM 447 C ARG A 30 29.932 15.235 28.983 1.00 0.00 C ATOM 448 O ARG A 30 30.570 14.208 29.237 1.00 0.00 O ATOM 449 CB ARG A 30 27.728 14.077 28.538 1.00 0.00 C ATOM 450 CG ARG A 30 26.359 14.175 27.851 1.00 0.00 C ATOM 451 CD ARG A 30 25.304 13.286 28.524 1.00 0.00 C ATOM 452 NE ARG A 30 25.677 11.861 28.537 1.00 0.00 N ATOM 453 CZ ARG A 30 25.728 11.059 27.481 1.00 0.00 C ATOM 454 NH1 ARG A 30 25.235 11.414 26.318 1.00 0.00 N ATOM 455 NH2 ARG A 30 26.298 9.882 27.575 1.00 0.00 N ATOM 0 H ARG A 30 28.689 14.202 26.250 1.00 0.00 H new ATOM 0 HA ARG A 30 28.159 16.145 28.210 1.00 0.00 H new ATOM 0 HB2 ARG A 30 28.177 13.109 28.313 1.00 0.00 H new ATOM 0 HB3 ARG A 30 27.594 14.123 29.619 1.00 0.00 H new ATOM 0 HG2 ARG A 30 26.021 15.211 27.866 1.00 0.00 H new ATOM 0 HG3 ARG A 30 26.459 13.888 26.804 1.00 0.00 H new ATOM 0 HD2 ARG A 30 25.151 13.625 29.548 1.00 0.00 H new ATOM 0 HD3 ARG A 30 24.353 13.402 28.004 1.00 0.00 H new ATOM 0 HE ARG A 30 25.918 11.453 29.440 1.00 0.00 H new ATOM 0 HH11 ARG A 30 24.797 12.329 26.207 1.00 0.00 H new ATOM 0 HH12 ARG A 30 25.289 10.775 25.525 1.00 0.00 H new ATOM 0 HH21 ARG A 30 26.703 9.581 28.461 1.00 0.00 H new ATOM 0 HH22 ARG A 30 26.336 9.267 26.762 1.00 0.00 H new ATOM 469 N GLU A 31 30.272 16.431 29.456 1.00 0.00 N ATOM 470 CA GLU A 31 31.406 16.689 30.343 1.00 0.00 C ATOM 471 C GLU A 31 31.302 18.059 31.024 1.00 0.00 C ATOM 472 O GLU A 31 30.711 18.994 30.491 1.00 0.00 O ATOM 473 CB GLU A 31 32.739 16.566 29.571 1.00 0.00 C ATOM 474 CG GLU A 31 33.959 16.354 30.478 1.00 0.00 C ATOM 475 CD GLU A 31 33.815 15.074 31.292 1.00 0.00 C ATOM 476 OE1 GLU A 31 34.177 13.995 30.770 1.00 0.00 O ATOM 477 OE2 GLU A 31 33.295 15.113 32.432 1.00 0.00 O ATOM 0 H GLU A 31 29.749 17.276 29.226 1.00 0.00 H new ATOM 0 HA GLU A 31 31.383 15.933 31.128 1.00 0.00 H new ATOM 0 HB2 GLU A 31 32.668 15.733 28.871 1.00 0.00 H new ATOM 0 HB3 GLU A 31 32.890 17.468 28.978 1.00 0.00 H new ATOM 0 HG2 GLU A 31 34.864 16.305 29.872 1.00 0.00 H new ATOM 0 HG3 GLU A 31 34.071 17.206 31.149 1.00 0.00 H new ATOM 484 N SER A 32 31.915 18.193 32.196 1.00 0.00 N ATOM 485 CA SER A 32 31.996 19.429 32.972 1.00 0.00 C ATOM 486 C SER A 32 33.429 19.674 33.475 1.00 0.00 C ATOM 487 O SER A 32 34.211 18.737 33.663 1.00 0.00 O ATOM 488 CB SER A 32 31.011 19.333 34.141 1.00 0.00 C ATOM 489 OG SER A 32 31.144 20.432 35.014 1.00 0.00 O ATOM 0 H SER A 32 32.389 17.412 32.651 1.00 0.00 H new ATOM 0 HA SER A 32 31.732 20.276 32.339 1.00 0.00 H new ATOM 0 HB2 SER A 32 29.991 19.291 33.758 1.00 0.00 H new ATOM 0 HB3 SER A 32 31.183 18.407 34.690 1.00 0.00 H new ATOM 0 HG SER A 32 30.270 20.858 35.139 1.00 0.00 H new ATOM 495 N ARG A 33 33.782 20.946 33.685 1.00 0.00 N ATOM 496 CA ARG A 33 35.087 21.399 34.152 1.00 0.00 C ATOM 497 C ARG A 33 34.931 22.328 35.366 1.00 0.00 C ATOM 498 O ARG A 33 34.066 23.201 35.413 1.00 0.00 O ATOM 499 CB ARG A 33 35.830 22.059 32.974 1.00 0.00 C ATOM 500 CG ARG A 33 37.317 22.322 33.251 1.00 0.00 C ATOM 501 CD ARG A 33 38.160 21.057 33.453 1.00 0.00 C ATOM 502 NE ARG A 33 38.379 20.269 32.225 1.00 0.00 N ATOM 503 CZ ARG A 33 37.878 19.067 31.955 1.00 0.00 C ATOM 504 NH1 ARG A 33 36.842 18.529 32.558 1.00 0.00 N ATOM 505 NH2 ARG A 33 38.467 18.338 31.042 1.00 0.00 N ATOM 0 H ARG A 33 33.135 21.718 33.526 1.00 0.00 H new ATOM 0 HA ARG A 33 35.687 20.556 34.496 1.00 0.00 H new ATOM 0 HB2 ARG A 33 35.741 21.420 32.096 1.00 0.00 H new ATOM 0 HB3 ARG A 33 35.342 23.003 32.732 1.00 0.00 H new ATOM 0 HG2 ARG A 33 37.733 22.892 32.420 1.00 0.00 H new ATOM 0 HG3 ARG A 33 37.403 22.946 34.140 1.00 0.00 H new ATOM 0 HD2 ARG A 33 39.128 21.342 33.865 1.00 0.00 H new ATOM 0 HD3 ARG A 33 37.672 20.424 34.194 1.00 0.00 H new ATOM 0 HE ARG A 33 38.975 20.688 31.511 1.00 0.00 H new ATOM 0 HH11 ARG A 33 36.358 19.042 33.295 1.00 0.00 H new ATOM 0 HH12 ARG A 33 36.522 17.599 32.289 1.00 0.00 H new ATOM 0 HH21 ARG A 33 39.290 18.695 30.557 1.00 0.00 H new ATOM 0 HH22 ARG A 33 38.103 17.412 30.816 1.00 0.00 H new ATOM 519 N TRP A 34 35.795 22.109 36.358 1.00 0.00 N ATOM 520 CA TRP A 34 35.602 22.501 37.766 1.00 0.00 C ATOM 521 C TRP A 34 36.766 23.345 38.331 1.00 0.00 C ATOM 522 O TRP A 34 36.745 23.732 39.496 1.00 0.00 O ATOM 523 CB TRP A 34 35.386 21.219 38.611 1.00 0.00 C ATOM 524 CG TRP A 34 35.277 19.914 37.867 1.00 0.00 C ATOM 525 CD1 TRP A 34 34.157 19.172 37.718 1.00 0.00 C ATOM 526 CD2 TRP A 34 36.310 19.228 37.093 1.00 0.00 C ATOM 527 NE1 TRP A 34 34.431 18.067 36.935 1.00 0.00 N ATOM 528 CE2 TRP A 34 35.741 18.059 36.511 1.00 0.00 C ATOM 529 CE3 TRP A 34 37.656 19.520 36.768 1.00 0.00 C ATOM 530 CZ2 TRP A 34 36.479 17.202 35.683 1.00 0.00 C ATOM 531 CZ3 TRP A 34 38.408 18.659 35.946 1.00 0.00 C ATOM 532 CH2 TRP A 34 37.826 17.496 35.415 1.00 0.00 C ATOM 0 H TRP A 34 36.685 21.636 36.203 1.00 0.00 H new ATOM 0 HA TRP A 34 34.724 23.145 37.818 1.00 0.00 H new ATOM 0 HB2 TRP A 34 36.212 21.137 39.317 1.00 0.00 H new ATOM 0 HB3 TRP A 34 34.477 21.350 39.198 1.00 0.00 H new ATOM 0 HD1 TRP A 34 33.194 19.407 38.146 1.00 0.00 H new ATOM 0 HE1 TRP A 34 33.748 17.347 36.700 1.00 0.00 H new ATOM 0 HE3 TRP A 34 38.114 20.418 37.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 36.017 16.325 35.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 39.438 18.894 35.722 1.00 0.00 H new ATOM 0 HH2 TRP A 34 38.413 16.829 34.802 1.00 0.00 H new ATOM 543 N GLU A 35 37.774 23.632 37.506 1.00 0.00 N ATOM 544 CA GLU A 35 38.984 24.420 37.772 1.00 0.00 C ATOM 545 C GLU A 35 39.683 24.677 36.420 1.00 0.00 C ATOM 546 O GLU A 35 39.446 23.887 35.498 1.00 0.00 O ATOM 547 CB GLU A 35 39.938 23.710 38.760 1.00 0.00 C ATOM 548 CG GLU A 35 40.316 22.276 38.352 1.00 0.00 C ATOM 549 CD GLU A 35 41.523 21.765 39.132 1.00 0.00 C ATOM 550 OE1 GLU A 35 41.355 21.288 40.279 1.00 0.00 O ATOM 551 OE2 GLU A 35 42.654 21.821 38.595 1.00 0.00 O ATOM 0 H GLU A 35 37.766 23.288 36.546 1.00 0.00 H new ATOM 0 HA GLU A 35 38.705 25.361 38.246 1.00 0.00 H new ATOM 0 HB2 GLU A 35 40.849 24.301 38.856 1.00 0.00 H new ATOM 0 HB3 GLU A 35 39.470 23.684 39.744 1.00 0.00 H new ATOM 0 HG2 GLU A 35 39.467 21.614 38.522 1.00 0.00 H new ATOM 0 HG3 GLU A 35 40.534 22.247 37.284 1.00 0.00 H new ATOM 558 N PRO A 36 40.517 25.729 36.262 1.00 0.00 N ATOM 559 CA PRO A 36 41.274 25.977 35.033 1.00 0.00 C ATOM 560 C PRO A 36 42.250 24.816 34.757 1.00 0.00 C ATOM 561 O PRO A 36 43.182 24.626 35.539 1.00 0.00 O ATOM 562 CB PRO A 36 42.005 27.316 35.240 1.00 0.00 C ATOM 563 CG PRO A 36 41.213 27.992 36.358 1.00 0.00 C ATOM 564 CD PRO A 36 40.743 26.813 37.206 1.00 0.00 C ATOM 0 HA PRO A 36 40.624 26.035 34.160 1.00 0.00 H new ATOM 0 HB2 PRO A 36 43.047 27.164 35.523 1.00 0.00 H new ATOM 0 HB3 PRO A 36 42.006 27.917 34.330 1.00 0.00 H new ATOM 0 HG2 PRO A 36 41.833 28.681 36.932 1.00 0.00 H new ATOM 0 HG3 PRO A 36 40.374 28.568 35.967 1.00 0.00 H new ATOM 0 HD2 PRO A 36 41.492 26.539 37.948 1.00 0.00 H new ATOM 0 HD3 PRO A 36 39.831 27.058 37.750 1.00 0.00 H new ATOM 572 N PRO A 37 42.066 24.021 33.686 1.00 0.00 N ATOM 573 CA PRO A 37 42.837 22.799 33.466 1.00 0.00 C ATOM 574 C PRO A 37 44.167 23.072 32.756 1.00 0.00 C ATOM 575 O PRO A 37 44.312 24.071 32.054 1.00 0.00 O ATOM 576 CB PRO A 37 41.928 21.914 32.616 1.00 0.00 C ATOM 577 CG PRO A 37 41.104 22.907 31.805 1.00 0.00 C ATOM 578 CD PRO A 37 40.996 24.133 32.704 1.00 0.00 C ATOM 0 HA PRO A 37 43.113 22.327 34.409 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.505 21.252 31.970 1.00 0.00 H new ATOM 0 HB3 PRO A 37 41.294 21.281 33.236 1.00 0.00 H new ATOM 0 HG2 PRO A 37 41.590 23.149 30.860 1.00 0.00 H new ATOM 0 HG3 PRO A 37 40.121 22.504 31.563 1.00 0.00 H new ATOM 0 HD2 PRO A 37 41.097 25.050 32.123 1.00 0.00 H new ATOM 0 HD3 PRO A 37 40.023 24.171 33.193 1.00 0.00 H new ATOM 586 N ALA A 38 45.130 22.149 32.872 1.00 0.00 N ATOM 587 CA ALA A 38 46.449 22.238 32.224 1.00 0.00 C ATOM 588 C ALA A 38 46.394 22.373 30.684 1.00 0.00 C ATOM 589 O ALA A 38 47.335 22.868 30.062 1.00 0.00 O ATOM 590 CB ALA A 38 47.246 20.996 32.646 1.00 0.00 C ATOM 0 H ALA A 38 45.014 21.302 33.429 1.00 0.00 H new ATOM 0 HA ALA A 38 46.933 23.157 32.554 1.00 0.00 H new ATOM 0 HB1 ALA A 38 48.234 21.024 32.185 1.00 0.00 H new ATOM 0 HB2 ALA A 38 47.352 20.983 33.731 1.00 0.00 H new ATOM 0 HB3 ALA A 38 46.719 20.098 32.322 1.00 0.00 H new ATOM 596 N ASP A 39 45.289 21.957 30.063 1.00 0.00 N ATOM 597 CA ASP A 39 45.042 21.986 28.613 1.00 0.00 C ATOM 598 C ASP A 39 44.580 23.365 28.086 1.00 0.00 C ATOM 599 O ASP A 39 44.599 23.612 26.876 1.00 0.00 O ATOM 600 CB ASP A 39 43.969 20.920 28.333 1.00 0.00 C ATOM 601 CG ASP A 39 43.964 20.418 26.888 1.00 0.00 C ATOM 602 OD1 ASP A 39 44.997 19.851 26.468 1.00 0.00 O ATOM 603 OD2 ASP A 39 42.895 20.476 26.234 1.00 0.00 O ATOM 0 H ASP A 39 44.500 21.570 30.580 1.00 0.00 H new ATOM 0 HA ASP A 39 45.977 21.784 28.090 1.00 0.00 H new ATOM 0 HB2 ASP A 39 44.127 20.074 29.002 1.00 0.00 H new ATOM 0 HB3 ASP A 39 42.988 21.334 28.568 1.00 0.00 H new ATOM 608 N THR A 40 44.155 24.261 28.990 1.00 0.00 N ATOM 609 CA THR A 40 43.491 25.541 28.683 1.00 0.00 C ATOM 610 C THR A 40 44.455 26.601 28.151 1.00 0.00 C ATOM 611 O THR A 40 45.649 26.336 28.003 1.00 0.00 O ATOM 612 CB THR A 40 42.679 25.965 29.907 1.00 0.00 C ATOM 613 OG1 THR A 40 41.566 26.709 29.519 1.00 0.00 O ATOM 614 CG2 THR A 40 43.438 26.799 30.939 1.00 0.00 C ATOM 0 H THR A 40 44.268 24.110 29.992 1.00 0.00 H new ATOM 0 HA THR A 40 42.799 25.412 27.851 1.00 0.00 H new ATOM 0 HB THR A 40 42.409 25.022 30.382 1.00 0.00 H new ATOM 0 HG1 THR A 40 41.627 26.915 28.563 1.00 0.00 H new ATOM 0 HG21 THR A 40 42.773 27.047 31.766 1.00 0.00 H new ATOM 0 HG22 THR A 40 44.287 26.228 31.315 1.00 0.00 H new ATOM 0 HG23 THR A 40 43.796 27.717 30.473 1.00 0.00 H new ATOM 622 N ASP A 41 43.951 27.791 27.823 1.00 0.00 N ATOM 623 CA ASP A 41 44.625 28.741 26.938 1.00 0.00 C ATOM 624 C ASP A 41 44.681 30.145 27.562 1.00 0.00 C ATOM 625 O ASP A 41 44.275 31.141 26.967 1.00 0.00 O ATOM 626 CB ASP A 41 43.926 28.720 25.575 1.00 0.00 C ATOM 627 CG ASP A 41 43.922 27.341 24.907 1.00 0.00 C ATOM 628 OD1 ASP A 41 44.991 26.693 24.841 1.00 0.00 O ATOM 629 OD2 ASP A 41 42.854 26.898 24.413 1.00 0.00 O ATOM 0 H ASP A 41 43.052 28.126 28.169 1.00 0.00 H new ATOM 0 HA ASP A 41 45.664 28.446 26.795 1.00 0.00 H new ATOM 0 HB2 ASP A 41 42.897 29.057 25.699 1.00 0.00 H new ATOM 0 HB3 ASP A 41 44.417 29.433 24.913 1.00 0.00 H new ATOM 634 N MET A 42 45.166 30.195 28.806 1.00 0.00 N ATOM 635 CA MET A 42 45.540 31.382 29.589 1.00 0.00 C ATOM 636 C MET A 42 45.982 32.618 28.779 1.00 0.00 C ATOM 637 O MET A 42 45.490 33.695 29.095 1.00 0.00 O ATOM 638 CB MET A 42 46.586 30.981 30.634 1.00 0.00 C ATOM 639 CG MET A 42 45.945 30.088 31.708 1.00 0.00 C ATOM 640 SD MET A 42 46.882 30.086 33.258 1.00 0.00 S ATOM 641 CE MET A 42 45.769 29.038 34.226 1.00 0.00 C ATOM 0 H MET A 42 45.321 29.338 29.337 1.00 0.00 H new ATOM 0 HA MET A 42 44.624 31.725 30.070 1.00 0.00 H new ATOM 0 HB2 MET A 42 47.408 30.451 30.152 1.00 0.00 H new ATOM 0 HB3 MET A 42 47.009 31.873 31.097 1.00 0.00 H new ATOM 0 HG2 MET A 42 44.929 30.431 31.902 1.00 0.00 H new ATOM 0 HG3 MET A 42 45.871 29.068 31.331 1.00 0.00 H new ATOM 0 HE1 MET A 42 46.172 28.910 35.231 1.00 0.00 H new ATOM 0 HE2 MET A 42 44.787 29.507 34.285 1.00 0.00 H new ATOM 0 HE3 MET A 42 45.677 28.064 33.746 1.00 0.00 H new ATOM 651 N GLU A 43 46.789 32.502 27.718 1.00 0.00 N ATOM 652 CA GLU A 43 47.136 33.620 26.812 1.00 0.00 C ATOM 653 C GLU A 43 45.909 34.441 26.334 1.00 0.00 C ATOM 654 O GLU A 43 45.952 35.676 26.329 1.00 0.00 O ATOM 655 CB GLU A 43 47.900 33.042 25.604 1.00 0.00 C ATOM 656 CG GLU A 43 48.481 34.086 24.640 1.00 0.00 C ATOM 657 CD GLU A 43 49.742 34.750 25.186 1.00 0.00 C ATOM 658 OE1 GLU A 43 49.650 35.654 26.047 1.00 0.00 O ATOM 659 OE2 GLU A 43 50.859 34.414 24.728 1.00 0.00 O ATOM 0 H GLU A 43 47.229 31.620 27.455 1.00 0.00 H new ATOM 0 HA GLU A 43 47.754 34.322 27.372 1.00 0.00 H new ATOM 0 HB2 GLU A 43 48.714 32.419 25.973 1.00 0.00 H new ATOM 0 HB3 GLU A 43 47.227 32.390 25.047 1.00 0.00 H new ATOM 0 HG2 GLU A 43 48.710 33.608 23.687 1.00 0.00 H new ATOM 0 HG3 GLU A 43 47.729 34.850 24.441 1.00 0.00 H new ATOM 666 N THR A 44 44.810 33.761 25.979 1.00 0.00 N ATOM 667 CA THR A 44 43.486 34.321 25.624 1.00 0.00 C ATOM 668 C THR A 44 42.640 34.631 26.850 1.00 0.00 C ATOM 669 O THR A 44 41.748 35.470 26.800 1.00 0.00 O ATOM 670 CB THR A 44 42.744 33.292 24.745 1.00 0.00 C ATOM 671 OG1 THR A 44 43.553 33.022 23.623 1.00 0.00 O ATOM 672 CG2 THR A 44 41.382 33.770 24.226 1.00 0.00 C ATOM 0 H THR A 44 44.816 32.742 25.927 1.00 0.00 H new ATOM 0 HA THR A 44 43.645 35.259 25.093 1.00 0.00 H new ATOM 0 HB THR A 44 42.559 32.419 25.372 1.00 0.00 H new ATOM 0 HG1 THR A 44 43.105 32.368 23.047 1.00 0.00 H new ATOM 0 HG21 THR A 44 40.929 32.987 23.618 1.00 0.00 H new ATOM 0 HG22 THR A 44 40.730 33.997 25.070 1.00 0.00 H new ATOM 0 HG23 THR A 44 41.517 34.667 23.621 1.00 0.00 H new ATOM 680 N LEU A 45 42.887 33.927 27.946 1.00 0.00 N ATOM 681 CA LEU A 45 41.898 33.632 28.977 1.00 0.00 C ATOM 682 C LEU A 45 42.175 34.391 30.282 1.00 0.00 C ATOM 683 O LEU A 45 41.248 34.606 31.053 1.00 0.00 O ATOM 684 CB LEU A 45 41.924 32.101 29.083 1.00 0.00 C ATOM 685 CG LEU A 45 40.984 31.360 30.030 1.00 0.00 C ATOM 686 CD1 LEU A 45 39.503 31.383 29.682 1.00 0.00 C ATOM 687 CD2 LEU A 45 41.466 29.919 30.235 1.00 0.00 C ATOM 0 H LEU A 45 43.806 33.534 28.149 1.00 0.00 H new ATOM 0 HA LEU A 45 40.893 33.977 28.733 1.00 0.00 H new ATOM 0 HB2 LEU A 45 41.742 31.709 28.082 1.00 0.00 H new ATOM 0 HB3 LEU A 45 42.940 31.818 29.356 1.00 0.00 H new ATOM 0 HG LEU A 45 41.040 31.930 30.958 1.00 0.00 H new ATOM 0 HD11 LEU A 45 38.944 30.822 30.431 1.00 0.00 H new ATOM 0 HD12 LEU A 45 39.150 32.414 29.663 1.00 0.00 H new ATOM 0 HD13 LEU A 45 39.352 30.930 28.702 1.00 0.00 H new ATOM 0 HD21 LEU A 45 40.787 29.401 30.912 1.00 0.00 H new ATOM 0 HD22 LEU A 45 41.486 29.402 29.276 1.00 0.00 H new ATOM 0 HD23 LEU A 45 42.468 29.928 30.663 1.00 0.00 H new ATOM 699 N LYS A 46 43.379 34.938 30.492 1.00 0.00 N ATOM 700 CA LYS A 46 43.602 36.024 31.462 1.00 0.00 C ATOM 701 C LYS A 46 42.696 37.235 31.166 1.00 0.00 C ATOM 702 O LYS A 46 42.178 37.845 32.098 1.00 0.00 O ATOM 703 CB LYS A 46 45.085 36.455 31.456 1.00 0.00 C ATOM 704 CG LYS A 46 45.955 35.856 32.576 1.00 0.00 C ATOM 705 CD LYS A 46 46.268 34.360 32.438 1.00 0.00 C ATOM 706 CE LYS A 46 45.180 33.404 32.954 1.00 0.00 C ATOM 707 NZ LYS A 46 45.075 33.416 34.432 1.00 0.00 N ATOM 0 H LYS A 46 44.222 34.645 29.999 1.00 0.00 H new ATOM 0 HA LYS A 46 43.346 35.645 32.451 1.00 0.00 H new ATOM 0 HB2 LYS A 46 45.521 36.181 30.495 1.00 0.00 H new ATOM 0 HB3 LYS A 46 45.130 37.542 31.527 1.00 0.00 H new ATOM 0 HG2 LYS A 46 46.896 36.405 32.615 1.00 0.00 H new ATOM 0 HG3 LYS A 46 45.452 36.018 33.529 1.00 0.00 H new ATOM 0 HD2 LYS A 46 46.450 34.141 31.386 1.00 0.00 H new ATOM 0 HD3 LYS A 46 47.194 34.150 32.972 1.00 0.00 H new ATOM 0 HE2 LYS A 46 44.219 33.683 32.522 1.00 0.00 H new ATOM 0 HE3 LYS A 46 45.399 32.391 32.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 44.365 32.720 34.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 45.997 33.173 34.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 44.790 34.363 34.752 1.00 0.00 H new ATOM 721 N MET A 47 42.409 37.515 29.885 1.00 0.00 N ATOM 722 CA MET A 47 41.453 38.559 29.472 1.00 0.00 C ATOM 723 C MET A 47 40.027 38.300 29.992 1.00 0.00 C ATOM 724 O MET A 47 39.238 39.234 30.119 1.00 0.00 O ATOM 725 CB MET A 47 41.439 38.693 27.936 1.00 0.00 C ATOM 726 CG MET A 47 42.837 38.797 27.308 1.00 0.00 C ATOM 727 SD MET A 47 43.903 40.091 27.997 1.00 0.00 S ATOM 728 CE MET A 47 45.483 39.247 27.738 1.00 0.00 C ATOM 0 H MET A 47 42.835 37.021 29.101 1.00 0.00 H new ATOM 0 HA MET A 47 41.792 39.493 29.920 1.00 0.00 H new ATOM 0 HB2 MET A 47 40.923 37.832 27.511 1.00 0.00 H new ATOM 0 HB3 MET A 47 40.862 39.577 27.663 1.00 0.00 H new ATOM 0 HG2 MET A 47 43.340 37.837 27.421 1.00 0.00 H new ATOM 0 HG3 MET A 47 42.724 38.974 26.238 1.00 0.00 H new ATOM 0 HE1 MET A 47 46.296 39.878 28.098 1.00 0.00 H new ATOM 0 HE2 MET A 47 45.486 38.304 28.285 1.00 0.00 H new ATOM 0 HE3 MET A 47 45.620 39.050 26.675 1.00 0.00 H new ATOM 738 N TYR A 48 39.713 37.041 30.314 1.00 0.00 N ATOM 739 CA TYR A 48 38.408 36.564 30.776 1.00 0.00 C ATOM 740 C TYR A 48 38.371 36.301 32.300 1.00 0.00 C ATOM 741 O TYR A 48 37.362 36.568 32.956 1.00 0.00 O ATOM 742 CB TYR A 48 38.129 35.292 29.959 1.00 0.00 C ATOM 743 CG TYR A 48 36.956 34.468 30.430 1.00 0.00 C ATOM 744 CD1 TYR A 48 35.639 34.836 30.105 1.00 0.00 C ATOM 745 CD2 TYR A 48 37.199 33.298 31.172 1.00 0.00 C ATOM 746 CE1 TYR A 48 34.562 34.034 30.525 1.00 0.00 C ATOM 747 CE2 TYR A 48 36.128 32.496 31.600 1.00 0.00 C ATOM 748 CZ TYR A 48 34.800 32.865 31.286 1.00 0.00 C ATOM 749 OH TYR A 48 33.771 32.067 31.679 1.00 0.00 O ATOM 0 H TYR A 48 40.399 36.289 30.256 1.00 0.00 H new ATOM 0 HA TYR A 48 37.637 37.319 30.621 1.00 0.00 H new ATOM 0 HB2 TYR A 48 37.958 35.577 28.921 1.00 0.00 H new ATOM 0 HB3 TYR A 48 39.021 34.666 29.975 1.00 0.00 H new ATOM 0 HD1 TYR A 48 35.454 35.733 29.533 1.00 0.00 H new ATOM 0 HD2 TYR A 48 38.213 33.015 31.414 1.00 0.00 H new ATOM 0 HE1 TYR A 48 33.551 34.311 30.266 1.00 0.00 H new ATOM 0 HE2 TYR A 48 36.319 31.598 32.169 1.00 0.00 H new ATOM 0 HH TYR A 48 34.122 31.309 32.192 1.00 0.00 H new ATOM 759 N MET A 49 39.478 35.806 32.872 1.00 0.00 N ATOM 760 CA MET A 49 39.641 35.467 34.300 1.00 0.00 C ATOM 761 C MET A 49 40.284 36.580 35.163 1.00 0.00 C ATOM 762 O MET A 49 40.415 36.407 36.380 1.00 0.00 O ATOM 763 CB MET A 49 40.399 34.127 34.413 1.00 0.00 C ATOM 764 CG MET A 49 39.638 32.996 33.703 1.00 0.00 C ATOM 765 SD MET A 49 39.925 31.315 34.315 1.00 0.00 S ATOM 766 CE MET A 49 38.904 31.409 35.809 1.00 0.00 C ATOM 0 H MET A 49 40.323 35.622 32.332 1.00 0.00 H new ATOM 0 HA MET A 49 38.641 35.366 34.722 1.00 0.00 H new ATOM 0 HB2 MET A 49 41.392 34.230 33.976 1.00 0.00 H new ATOM 0 HB3 MET A 49 40.537 33.872 35.464 1.00 0.00 H new ATOM 0 HG2 MET A 49 38.571 33.207 33.774 1.00 0.00 H new ATOM 0 HG3 MET A 49 39.898 33.022 32.645 1.00 0.00 H new ATOM 0 HE1 MET A 49 38.889 30.436 36.301 1.00 0.00 H new ATOM 0 HE2 MET A 49 39.321 32.153 36.488 1.00 0.00 H new ATOM 0 HE3 MET A 49 37.888 31.694 35.538 1.00 0.00 H new ATOM 776 N ALA A 50 40.660 37.721 34.567 1.00 0.00 N ATOM 777 CA ALA A 50 41.101 38.950 35.244 1.00 0.00 C ATOM 778 C ALA A 50 40.777 40.211 34.408 1.00 0.00 C ATOM 779 O ALA A 50 41.670 40.892 33.892 1.00 0.00 O ATOM 780 CB ALA A 50 42.595 38.829 35.583 1.00 0.00 C ATOM 0 H ALA A 50 40.665 37.817 33.552 1.00 0.00 H new ATOM 0 HA ALA A 50 40.548 39.069 36.176 1.00 0.00 H new ATOM 0 HB1 ALA A 50 42.929 39.737 36.085 1.00 0.00 H new ATOM 0 HB2 ALA A 50 42.751 37.973 36.239 1.00 0.00 H new ATOM 0 HB3 ALA A 50 43.166 38.691 34.665 1.00 0.00 H new ATOM 786 N THR A 51 39.483 40.516 34.250 1.00 0.00 N ATOM 787 CA THR A 51 38.957 41.571 33.360 1.00 0.00 C ATOM 788 C THR A 51 39.070 43.003 33.907 1.00 0.00 C ATOM 789 O THR A 51 38.894 43.950 33.147 1.00 0.00 O ATOM 790 CB THR A 51 37.523 41.197 32.960 1.00 0.00 C ATOM 791 OG1 THR A 51 37.182 41.856 31.762 1.00 0.00 O ATOM 792 CG2 THR A 51 36.478 41.531 34.028 1.00 0.00 C ATOM 0 H THR A 51 38.745 40.022 34.752 1.00 0.00 H new ATOM 0 HA THR A 51 39.595 41.604 32.477 1.00 0.00 H new ATOM 0 HB THR A 51 37.512 40.114 32.834 1.00 0.00 H new ATOM 0 HG1 THR A 51 37.505 42.781 31.794 1.00 0.00 H new ATOM 0 HG21 THR A 51 35.490 41.238 33.674 1.00 0.00 H new ATOM 0 HG22 THR A 51 36.710 40.990 34.945 1.00 0.00 H new ATOM 0 HG23 THR A 51 36.490 42.603 34.226 1.00 0.00 H new ATOM 800 N TYR A 52 39.413 43.199 35.184 1.00 0.00 N ATOM 801 CA TYR A 52 39.632 44.530 35.784 1.00 0.00 C ATOM 802 C TYR A 52 40.849 45.271 35.184 1.00 0.00 C ATOM 803 O TYR A 52 41.909 44.672 34.961 1.00 0.00 O ATOM 804 CB TYR A 52 39.766 44.369 37.302 1.00 0.00 C ATOM 805 CG TYR A 52 39.845 45.681 38.057 1.00 0.00 C ATOM 806 CD1 TYR A 52 41.092 46.290 38.281 1.00 0.00 C ATOM 807 CD2 TYR A 52 38.673 46.299 38.529 1.00 0.00 C ATOM 808 CE1 TYR A 52 41.177 47.485 39.017 1.00 0.00 C ATOM 809 CE2 TYR A 52 38.751 47.498 39.262 1.00 0.00 C ATOM 810 CZ TYR A 52 40.009 48.082 39.535 1.00 0.00 C ATOM 811 OH TYR A 52 40.099 49.233 40.254 1.00 0.00 O ATOM 0 H TYR A 52 39.549 42.432 35.843 1.00 0.00 H new ATOM 0 HA TYR A 52 38.770 45.156 35.551 1.00 0.00 H new ATOM 0 HB2 TYR A 52 38.914 43.799 37.673 1.00 0.00 H new ATOM 0 HB3 TYR A 52 40.660 43.783 37.517 1.00 0.00 H new ATOM 0 HD1 TYR A 52 41.989 45.838 37.886 1.00 0.00 H new ATOM 0 HD2 TYR A 52 37.710 45.852 38.328 1.00 0.00 H new ATOM 0 HE1 TYR A 52 42.139 47.947 39.186 1.00 0.00 H new ATOM 0 HE2 TYR A 52 37.848 47.973 39.617 1.00 0.00 H new ATOM 0 HH TYR A 52 39.203 49.513 40.537 1.00 0.00 H new ATOM 821 N HIS A 53 40.699 46.575 34.913 1.00 0.00 N ATOM 822 CA HIS A 53 41.715 47.429 34.269 1.00 0.00 C ATOM 823 C HIS A 53 42.760 47.978 35.235 1.00 0.00 C ATOM 824 O HIS A 53 43.951 47.635 35.078 1.00 0.00 O ATOM 825 CB HIS A 53 41.006 48.550 33.489 1.00 0.00 C ATOM 826 CG HIS A 53 41.812 49.096 32.342 1.00 0.00 C ATOM 827 ND1 HIS A 53 42.348 50.383 32.251 1.00 0.00 N ATOM 828 CD2 HIS A 53 42.069 48.430 31.184 1.00 0.00 C ATOM 829 CE1 HIS A 53 42.914 50.457 31.032 1.00 0.00 C ATOM 830 NE2 HIS A 53 42.761 49.298 30.373 1.00 0.00 N ATOM 831 OXT HIS A 53 42.419 48.747 36.161 1.00 0.00 O ATOM 0 H HIS A 53 39.844 47.082 35.141 1.00 0.00 H new ATOM 0 HA HIS A 53 42.284 46.805 33.580 1.00 0.00 H new ATOM 0 HB2 HIS A 53 40.058 48.170 33.107 1.00 0.00 H new ATOM 0 HB3 HIS A 53 40.770 49.364 34.175 1.00 0.00 H new ATOM 0 HD2 HIS A 53 41.784 47.415 30.947 1.00 0.00 H new ATOM 0 HE1 HIS A 53 43.420 51.327 30.640 1.00 0.00 H new ATOM 0 HE2 HIS A 53 43.100 49.096 29.432 1.00 0.00 H new TER 839 HIS A 53