USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=19 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 Single : A 1 SER N :NH3+ 144:sc= 0.179 (180deg=0.0243) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0572 USER MOD Single : A 2 MET CE :methyl 165:sc= -0.0293 (180deg=-0.328) USER MOD Single : A 4 ASN : amide:sc= 0.108 K(o=0.11,f=-3!) USER MOD Single : A 5 THR OG1 : rot 32:sc= 0.559 USER MOD Single : A 15 HIS : no HD1:sc= -0.213 X(o=-0.21,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0.312 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 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 X(o=0,f=0) 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= -0.09 K(o=-0.09,f=-6.4!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 29:sc= 0.821 USER MOD Single : A 42 MET CE :methyl 174:sc= -0.0318 (180deg=-0.118) USER MOD Single : A 44 THR OG1 : rot 74:sc= 1.31 USER MOD Single : A 46 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.068) USER MOD Single : A 47 MET CE :methyl -179:sc= 0 (180deg=-0.00158) USER MOD Single : A 48 TYR OH : rot -155:sc= 0.333 USER MOD Single : A 49 MET CE :methyl -173:sc= -0.0263 (180deg=-0.172) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 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=-0.0039) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 27.591 42.840 24.652 1.00 0.00 N ATOM 2 CA SER A 1 28.715 42.221 23.930 1.00 0.00 C ATOM 3 C SER A 1 29.040 40.858 24.535 1.00 0.00 C ATOM 4 O SER A 1 28.680 40.589 25.686 1.00 0.00 O ATOM 5 CB SER A 1 29.903 43.171 23.852 1.00 0.00 C ATOM 6 OG SER A 1 29.404 44.422 23.408 1.00 0.00 O ATOM 0 H1 SER A 1 27.739 43.868 24.709 1.00 0.00 H new ATOM 0 H2 SER A 1 26.704 42.645 24.146 1.00 0.00 H new ATOM 0 H3 SER A 1 27.536 42.445 25.612 1.00 0.00 H new ATOM 0 HA SER A 1 28.431 42.034 22.895 1.00 0.00 H new ATOM 0 HB2 SER A 1 30.382 43.270 24.826 1.00 0.00 H new ATOM 0 HB3 SER A 1 30.657 42.790 23.163 1.00 0.00 H new ATOM 0 HG SER A 1 30.141 45.065 23.346 1.00 0.00 H new ATOM 12 N MET A 2 29.646 39.960 23.749 1.00 0.00 N ATOM 13 CA MET A 2 29.813 38.532 24.081 1.00 0.00 C ATOM 14 C MET A 2 31.205 38.207 24.642 1.00 0.00 C ATOM 15 O MET A 2 32.186 38.856 24.269 1.00 0.00 O ATOM 16 CB MET A 2 29.564 37.684 22.824 1.00 0.00 C ATOM 17 CG MET A 2 28.135 37.839 22.288 1.00 0.00 C ATOM 18 SD MET A 2 27.763 36.884 20.796 1.00 0.00 S ATOM 19 CE MET A 2 27.908 35.209 21.472 1.00 0.00 C ATOM 0 H MET A 2 30.044 40.207 22.843 1.00 0.00 H new ATOM 0 HA MET A 2 29.087 38.297 24.860 1.00 0.00 H new ATOM 0 HB2 MET A 2 30.273 37.972 22.048 1.00 0.00 H new ATOM 0 HB3 MET A 2 29.751 36.635 23.054 1.00 0.00 H new ATOM 0 HG2 MET A 2 27.436 37.545 23.071 1.00 0.00 H new ATOM 0 HG3 MET A 2 27.955 38.894 22.079 1.00 0.00 H new ATOM 0 HE1 MET A 2 27.459 34.497 20.780 1.00 0.00 H new ATOM 0 HE2 MET A 2 28.961 34.963 21.613 1.00 0.00 H new ATOM 0 HE3 MET A 2 27.392 35.158 22.431 1.00 0.00 H new ATOM 29 N VAL A 3 31.301 37.159 25.465 1.00 0.00 N ATOM 30 CA VAL A 3 32.584 36.627 25.976 1.00 0.00 C ATOM 31 C VAL A 3 33.225 35.658 24.983 1.00 0.00 C ATOM 32 O VAL A 3 32.573 35.145 24.072 1.00 0.00 O ATOM 33 CB VAL A 3 32.486 35.964 27.376 1.00 0.00 C ATOM 34 CG1 VAL A 3 31.987 36.971 28.417 1.00 0.00 C ATOM 35 CG2 VAL A 3 31.635 34.684 27.419 1.00 0.00 C ATOM 0 H VAL A 3 30.487 36.646 25.803 1.00 0.00 H new ATOM 0 HA VAL A 3 33.222 37.503 26.092 1.00 0.00 H new ATOM 0 HB VAL A 3 33.501 35.650 27.618 1.00 0.00 H new ATOM 0 HG11 VAL A 3 31.925 36.487 29.391 1.00 0.00 H new ATOM 0 HG12 VAL A 3 32.680 37.811 28.472 1.00 0.00 H new ATOM 0 HG13 VAL A 3 31.000 37.333 28.129 1.00 0.00 H new ATOM 0 HG21 VAL A 3 31.622 34.290 28.435 1.00 0.00 H new ATOM 0 HG22 VAL A 3 30.616 34.914 27.106 1.00 0.00 H new ATOM 0 HG23 VAL A 3 32.062 33.940 26.746 1.00 0.00 H new ATOM 45 N ASN A 4 34.506 35.369 25.210 1.00 0.00 N ATOM 46 CA ASN A 4 35.182 34.202 24.656 1.00 0.00 C ATOM 47 C ASN A 4 36.107 33.583 25.716 1.00 0.00 C ATOM 48 O ASN A 4 36.556 34.274 26.633 1.00 0.00 O ATOM 49 CB ASN A 4 35.935 34.578 23.370 1.00 0.00 C ATOM 50 CG ASN A 4 35.917 33.414 22.388 1.00 0.00 C ATOM 51 OD1 ASN A 4 36.372 32.319 22.695 1.00 0.00 O ATOM 52 ND2 ASN A 4 35.340 33.583 21.217 1.00 0.00 N ATOM 0 H ASN A 4 35.110 35.949 25.793 1.00 0.00 H new ATOM 0 HA ASN A 4 34.444 33.448 24.382 1.00 0.00 H new ATOM 0 HB2 ASN A 4 35.475 35.455 22.914 1.00 0.00 H new ATOM 0 HB3 ASN A 4 36.964 34.846 23.608 1.00 0.00 H new ATOM 0 HD21 ASN A 4 35.272 32.802 20.565 1.00 0.00 H new ATOM 0 HD22 ASN A 4 34.961 34.495 20.962 1.00 0.00 H new ATOM 59 N THR A 5 36.378 32.281 25.599 1.00 0.00 N ATOM 60 CA THR A 5 37.146 31.496 26.569 1.00 0.00 C ATOM 61 C THR A 5 38.158 30.653 25.830 1.00 0.00 C ATOM 62 O THR A 5 37.800 29.800 25.016 1.00 0.00 O ATOM 63 CB THR A 5 36.249 30.586 27.404 1.00 0.00 C ATOM 64 OG1 THR A 5 35.502 29.734 26.572 1.00 0.00 O ATOM 65 CG2 THR A 5 35.308 31.427 28.246 1.00 0.00 C ATOM 0 H THR A 5 36.060 31.727 24.804 1.00 0.00 H new ATOM 0 HA THR A 5 37.642 32.190 27.247 1.00 0.00 H new ATOM 0 HB THR A 5 36.878 29.979 28.055 1.00 0.00 H new ATOM 0 HG1 THR A 5 36.019 29.529 25.765 1.00 0.00 H new ATOM 0 HG21 THR A 5 34.669 30.774 28.841 1.00 0.00 H new ATOM 0 HG22 THR A 5 35.888 32.069 28.909 1.00 0.00 H new ATOM 0 HG23 THR A 5 34.689 32.044 27.594 1.00 0.00 H new ATOM 73 N GLY A 6 39.406 30.790 26.253 1.00 0.00 N ATOM 74 CA GLY A 6 40.496 29.874 25.960 1.00 0.00 C ATOM 75 C GLY A 6 40.346 28.487 26.593 1.00 0.00 C ATOM 76 O GLY A 6 41.286 27.701 26.534 1.00 0.00 O ATOM 0 H GLY A 6 39.698 31.576 26.834 1.00 0.00 H new ATOM 0 HA2 GLY A 6 40.577 29.760 24.879 1.00 0.00 H new ATOM 0 HA3 GLY A 6 41.430 30.318 26.305 1.00 0.00 H new ATOM 80 N LEU A 7 39.210 28.189 27.240 1.00 0.00 N ATOM 81 CA LEU A 7 38.895 26.878 27.809 1.00 0.00 C ATOM 82 C LEU A 7 38.811 25.809 26.689 1.00 0.00 C ATOM 83 O LEU A 7 38.548 26.187 25.545 1.00 0.00 O ATOM 84 CB LEU A 7 37.588 26.966 28.623 1.00 0.00 C ATOM 85 CG LEU A 7 37.771 27.563 30.035 1.00 0.00 C ATOM 86 CD1 LEU A 7 36.399 27.892 30.636 1.00 0.00 C ATOM 87 CD2 LEU A 7 38.525 26.605 30.976 1.00 0.00 C ATOM 0 H LEU A 7 38.468 28.874 27.384 1.00 0.00 H new ATOM 0 HA LEU A 7 39.692 26.572 28.486 1.00 0.00 H new ATOM 0 HB2 LEU A 7 36.869 27.573 28.073 1.00 0.00 H new ATOM 0 HB3 LEU A 7 37.160 25.968 28.714 1.00 0.00 H new ATOM 0 HG LEU A 7 38.368 28.469 29.934 1.00 0.00 H new ATOM 0 HD11 LEU A 7 36.530 28.313 31.633 1.00 0.00 H new ATOM 0 HD12 LEU A 7 35.887 28.615 30.001 1.00 0.00 H new ATOM 0 HD13 LEU A 7 35.803 26.982 30.702 1.00 0.00 H new ATOM 0 HD21 LEU A 7 38.630 27.067 31.958 1.00 0.00 H new ATOM 0 HD22 LEU A 7 37.966 25.674 31.071 1.00 0.00 H new ATOM 0 HD23 LEU A 7 39.513 26.395 30.566 1.00 0.00 H new ATOM 99 N PRO A 8 39.015 24.504 26.978 1.00 0.00 N ATOM 100 CA PRO A 8 38.978 23.437 25.971 1.00 0.00 C ATOM 101 C PRO A 8 37.520 23.058 25.639 1.00 0.00 C ATOM 102 O PRO A 8 36.690 23.940 25.450 1.00 0.00 O ATOM 103 CB PRO A 8 39.839 22.333 26.591 1.00 0.00 C ATOM 104 CG PRO A 8 39.467 22.423 28.063 1.00 0.00 C ATOM 105 CD PRO A 8 39.314 23.929 28.292 1.00 0.00 C ATOM 0 HA PRO A 8 39.377 23.705 24.993 1.00 0.00 H new ATOM 0 HB2 PRO A 8 39.608 21.353 26.172 1.00 0.00 H new ATOM 0 HB3 PRO A 8 40.903 22.507 26.429 1.00 0.00 H new ATOM 0 HG2 PRO A 8 38.543 21.887 28.279 1.00 0.00 H new ATOM 0 HG3 PRO A 8 40.240 21.995 28.701 1.00 0.00 H new ATOM 0 HD2 PRO A 8 38.513 24.137 29.001 1.00 0.00 H new ATOM 0 HD3 PRO A 8 40.227 24.356 28.707 1.00 0.00 H new ATOM 113 N ALA A 9 37.181 21.767 25.547 1.00 0.00 N ATOM 114 CA ALA A 9 35.808 21.305 25.285 1.00 0.00 C ATOM 115 C ALA A 9 34.811 21.601 26.431 1.00 0.00 C ATOM 116 O ALA A 9 33.614 21.743 26.190 1.00 0.00 O ATOM 117 CB ALA A 9 35.869 19.803 24.974 1.00 0.00 C ATOM 0 H ALA A 9 37.853 21.007 25.652 1.00 0.00 H new ATOM 0 HA ALA A 9 35.419 21.867 24.436 1.00 0.00 H new ATOM 0 HB1 ALA A 9 34.864 19.431 24.775 1.00 0.00 H new ATOM 0 HB2 ALA A 9 36.497 19.638 24.098 1.00 0.00 H new ATOM 0 HB3 ALA A 9 36.290 19.272 25.827 1.00 0.00 H new ATOM 123 N GLY A 10 35.297 21.716 27.672 1.00 0.00 N ATOM 124 CA GLY A 10 34.520 22.066 28.863 1.00 0.00 C ATOM 125 C GLY A 10 34.581 23.569 29.085 1.00 0.00 C ATOM 126 O GLY A 10 35.434 24.049 29.830 1.00 0.00 O ATOM 0 H GLY A 10 36.283 21.561 27.881 1.00 0.00 H new ATOM 0 HA2 GLY A 10 33.485 21.747 28.741 1.00 0.00 H new ATOM 0 HA3 GLY A 10 34.914 21.543 29.734 1.00 0.00 H new ATOM 130 N TRP A 11 33.708 24.293 28.383 1.00 0.00 N ATOM 131 CA TRP A 11 33.787 25.756 28.240 1.00 0.00 C ATOM 132 C TRP A 11 32.479 26.558 28.379 1.00 0.00 C ATOM 133 O TRP A 11 32.548 27.782 28.493 1.00 0.00 O ATOM 134 CB TRP A 11 34.448 26.071 26.891 1.00 0.00 C ATOM 135 CG TRP A 11 33.659 25.868 25.624 1.00 0.00 C ATOM 136 CD1 TRP A 11 32.607 25.037 25.421 1.00 0.00 C ATOM 137 CD2 TRP A 11 33.886 26.521 24.335 1.00 0.00 C ATOM 138 NE1 TRP A 11 32.140 25.169 24.128 1.00 0.00 N ATOM 139 CE2 TRP A 11 32.911 26.053 23.405 1.00 0.00 C ATOM 140 CE3 TRP A 11 34.837 27.452 23.857 1.00 0.00 C ATOM 141 CZ2 TRP A 11 32.881 26.486 22.071 1.00 0.00 C ATOM 142 CZ3 TRP A 11 34.814 27.897 22.522 1.00 0.00 C ATOM 143 CH2 TRP A 11 33.839 27.415 21.630 1.00 0.00 C ATOM 0 H TRP A 11 32.916 23.880 27.891 1.00 0.00 H new ATOM 0 HA TRP A 11 34.372 26.088 29.097 1.00 0.00 H new ATOM 0 HB2 TRP A 11 34.766 27.113 26.916 1.00 0.00 H new ATOM 0 HB3 TRP A 11 35.350 25.464 26.817 1.00 0.00 H new ATOM 0 HD1 TRP A 11 32.194 24.369 26.163 1.00 0.00 H new ATOM 0 HE1 TRP A 11 31.329 24.675 23.756 1.00 0.00 H new ATOM 0 HE3 TRP A 11 35.595 27.828 24.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 32.131 26.110 21.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 35.548 28.612 22.181 1.00 0.00 H new ATOM 0 HH2 TRP A 11 33.827 27.759 20.606 1.00 0.00 H new ATOM 154 N GLU A 12 31.305 25.923 28.356 1.00 0.00 N ATOM 155 CA GLU A 12 30.017 26.632 28.270 1.00 0.00 C ATOM 156 C GLU A 12 29.474 26.899 29.683 1.00 0.00 C ATOM 157 O GLU A 12 29.263 25.958 30.441 1.00 0.00 O ATOM 158 CB GLU A 12 29.060 25.810 27.383 1.00 0.00 C ATOM 159 CG GLU A 12 28.127 26.670 26.519 1.00 0.00 C ATOM 160 CD GLU A 12 26.851 27.125 27.218 1.00 0.00 C ATOM 161 OE1 GLU A 12 26.125 26.286 27.797 1.00 0.00 O ATOM 162 OE2 GLU A 12 26.505 28.325 27.097 1.00 0.00 O ATOM 0 H GLU A 12 31.215 24.908 28.396 1.00 0.00 H new ATOM 0 HA GLU A 12 30.132 27.610 27.802 1.00 0.00 H new ATOM 0 HB2 GLU A 12 29.648 25.162 26.733 1.00 0.00 H new ATOM 0 HB3 GLU A 12 28.457 25.161 28.018 1.00 0.00 H new ATOM 0 HG2 GLU A 12 28.675 27.550 26.183 1.00 0.00 H new ATOM 0 HG3 GLU A 12 27.855 26.104 25.628 1.00 0.00 H new ATOM 169 N VAL A 13 29.303 28.161 30.087 1.00 0.00 N ATOM 170 CA VAL A 13 29.108 28.513 31.507 1.00 0.00 C ATOM 171 C VAL A 13 27.698 28.152 31.963 1.00 0.00 C ATOM 172 O VAL A 13 26.705 28.647 31.419 1.00 0.00 O ATOM 173 CB VAL A 13 29.374 30.004 31.816 1.00 0.00 C ATOM 174 CG1 VAL A 13 29.368 30.286 33.326 1.00 0.00 C ATOM 175 CG2 VAL A 13 30.733 30.472 31.265 1.00 0.00 C ATOM 0 H VAL A 13 29.295 28.961 29.454 1.00 0.00 H new ATOM 0 HA VAL A 13 29.846 27.931 32.058 1.00 0.00 H new ATOM 0 HB VAL A 13 28.565 30.550 31.330 1.00 0.00 H new ATOM 0 HG11 VAL A 13 29.559 31.345 33.499 1.00 0.00 H new ATOM 0 HG12 VAL A 13 28.396 30.020 33.742 1.00 0.00 H new ATOM 0 HG13 VAL A 13 30.145 29.694 33.810 1.00 0.00 H new ATOM 0 HG21 VAL A 13 30.879 31.525 31.504 1.00 0.00 H new ATOM 0 HG22 VAL A 13 31.531 29.883 31.717 1.00 0.00 H new ATOM 0 HG23 VAL A 13 30.752 30.340 30.183 1.00 0.00 H new ATOM 185 N ARG A 14 27.622 27.330 33.010 1.00 0.00 N ATOM 186 CA ARG A 14 26.383 26.917 33.664 1.00 0.00 C ATOM 187 C ARG A 14 26.498 27.099 35.184 1.00 0.00 C ATOM 188 O ARG A 14 27.590 27.093 35.749 1.00 0.00 O ATOM 189 CB ARG A 14 26.085 25.453 33.292 1.00 0.00 C ATOM 190 CG ARG A 14 25.755 25.220 31.805 1.00 0.00 C ATOM 191 CD ARG A 14 24.368 25.748 31.412 1.00 0.00 C ATOM 192 NE ARG A 14 24.349 26.213 30.017 1.00 0.00 N ATOM 193 CZ ARG A 14 23.353 26.822 29.387 1.00 0.00 C ATOM 194 NH1 ARG A 14 22.166 27.028 29.907 1.00 0.00 N ATOM 195 NH2 ARG A 14 23.547 27.246 28.167 1.00 0.00 N ATOM 0 H ARG A 14 28.451 26.920 33.440 1.00 0.00 H new ATOM 0 HA ARG A 14 25.556 27.540 33.323 1.00 0.00 H new ATOM 0 HB2 ARG A 14 26.947 24.842 33.559 1.00 0.00 H new ATOM 0 HB3 ARG A 14 25.247 25.103 33.895 1.00 0.00 H new ATOM 0 HG2 ARG A 14 26.511 25.707 31.189 1.00 0.00 H new ATOM 0 HG3 ARG A 14 25.807 24.153 31.589 1.00 0.00 H new ATOM 0 HD2 ARG A 14 23.626 24.961 31.545 1.00 0.00 H new ATOM 0 HD3 ARG A 14 24.087 26.567 32.074 1.00 0.00 H new ATOM 0 HE ARG A 14 25.196 26.049 29.473 1.00 0.00 H new ATOM 0 HH11 ARG A 14 21.963 26.712 30.855 1.00 0.00 H new ATOM 0 HH12 ARG A 14 21.447 27.504 29.363 1.00 0.00 H new ATOM 0 HH21 ARG A 14 24.451 27.106 27.716 1.00 0.00 H new ATOM 0 HH22 ARG A 14 22.794 27.717 27.665 1.00 0.00 H new ATOM 209 N HIS A 15 25.363 27.301 35.848 1.00 0.00 N ATOM 210 CA HIS A 15 25.286 27.639 37.277 1.00 0.00 C ATOM 211 C HIS A 15 24.071 26.993 37.980 1.00 0.00 C ATOM 212 O HIS A 15 23.182 26.446 37.326 1.00 0.00 O ATOM 213 CB HIS A 15 25.304 29.175 37.423 1.00 0.00 C ATOM 214 CG HIS A 15 24.060 29.860 36.921 1.00 0.00 C ATOM 215 ND1 HIS A 15 23.888 30.408 35.645 1.00 0.00 N ATOM 216 CD2 HIS A 15 22.902 30.002 37.625 1.00 0.00 C ATOM 217 CE1 HIS A 15 22.630 30.885 35.628 1.00 0.00 C ATOM 218 NE2 HIS A 15 22.009 30.637 36.795 1.00 0.00 N ATOM 0 H HIS A 15 24.448 27.234 35.403 1.00 0.00 H new ATOM 0 HA HIS A 15 26.155 27.221 37.785 1.00 0.00 H new ATOM 0 HB2 HIS A 15 25.444 29.427 38.474 1.00 0.00 H new ATOM 0 HB3 HIS A 15 26.165 29.570 36.883 1.00 0.00 H new ATOM 0 HD2 HIS A 15 22.721 29.678 38.639 1.00 0.00 H new ATOM 0 HE1 HIS A 15 22.180 31.398 34.791 1.00 0.00 H new ATOM 0 HE2 HIS A 15 21.045 30.878 37.024 1.00 0.00 H new ATOM 226 N SER A 16 24.024 27.063 39.311 1.00 0.00 N ATOM 227 CA SER A 16 22.985 26.454 40.153 1.00 0.00 C ATOM 228 C SER A 16 22.974 27.064 41.566 1.00 0.00 C ATOM 229 O SER A 16 24.018 27.439 42.107 1.00 0.00 O ATOM 230 CB SER A 16 23.218 24.932 40.230 1.00 0.00 C ATOM 231 OG SER A 16 22.347 24.287 41.144 1.00 0.00 O ATOM 0 H SER A 16 24.730 27.561 39.854 1.00 0.00 H new ATOM 0 HA SER A 16 22.013 26.655 39.702 1.00 0.00 H new ATOM 0 HB2 SER A 16 23.083 24.498 39.239 1.00 0.00 H new ATOM 0 HB3 SER A 16 24.250 24.742 40.523 1.00 0.00 H new ATOM 0 HG SER A 16 22.536 23.325 41.153 1.00 0.00 H new ATOM 237 N ASN A 17 21.804 27.105 42.213 1.00 0.00 N ATOM 238 CA ASN A 17 21.689 27.471 43.630 1.00 0.00 C ATOM 239 C ASN A 17 22.336 26.416 44.552 1.00 0.00 C ATOM 240 O ASN A 17 22.697 26.721 45.690 1.00 0.00 O ATOM 241 CB ASN A 17 20.213 27.690 44.001 1.00 0.00 C ATOM 242 CG ASN A 17 19.532 28.773 43.170 1.00 0.00 C ATOM 243 OD1 ASN A 17 18.640 28.493 42.378 1.00 0.00 O ATOM 244 ND2 ASN A 17 19.919 30.024 43.313 1.00 0.00 N ATOM 0 H ASN A 17 20.911 26.886 41.771 1.00 0.00 H new ATOM 0 HA ASN A 17 22.234 28.403 43.779 1.00 0.00 H new ATOM 0 HB2 ASN A 17 19.672 26.752 43.875 1.00 0.00 H new ATOM 0 HB3 ASN A 17 20.147 27.957 45.056 1.00 0.00 H new ATOM 0 HD21 ASN A 17 19.476 30.761 42.764 1.00 0.00 H new ATOM 0 HD22 ASN A 17 20.662 30.256 43.973 1.00 0.00 H new ATOM 251 N SER A 18 22.546 25.191 44.066 1.00 0.00 N ATOM 252 CA SER A 18 23.205 24.093 44.792 1.00 0.00 C ATOM 253 C SER A 18 24.744 24.078 44.618 1.00 0.00 C ATOM 254 O SER A 18 25.404 23.102 44.991 1.00 0.00 O ATOM 255 CB SER A 18 22.582 22.754 44.363 1.00 0.00 C ATOM 256 OG SER A 18 21.168 22.771 44.516 1.00 0.00 O ATOM 0 H SER A 18 22.254 24.923 43.126 1.00 0.00 H new ATOM 0 HA SER A 18 23.035 24.255 45.857 1.00 0.00 H new ATOM 0 HB2 SER A 18 22.835 22.549 43.323 1.00 0.00 H new ATOM 0 HB3 SER A 18 23.005 21.946 44.959 1.00 0.00 H new ATOM 0 HG SER A 18 20.798 21.908 44.234 1.00 0.00 H new ATOM 262 N LYS A 19 25.337 25.127 44.028 1.00 0.00 N ATOM 263 CA LYS A 19 26.786 25.261 43.807 1.00 0.00 C ATOM 264 C LYS A 19 27.228 26.741 43.879 1.00 0.00 C ATOM 265 O LYS A 19 26.723 27.573 43.129 1.00 0.00 O ATOM 266 CB LYS A 19 27.109 24.622 42.437 1.00 0.00 C ATOM 267 CG LYS A 19 28.601 24.379 42.168 1.00 0.00 C ATOM 268 CD LYS A 19 29.137 23.122 42.875 1.00 0.00 C ATOM 269 CE LYS A 19 30.648 22.911 42.686 1.00 0.00 C ATOM 270 NZ LYS A 19 31.030 22.693 41.271 1.00 0.00 N ATOM 0 H LYS A 19 24.808 25.927 43.682 1.00 0.00 H new ATOM 0 HA LYS A 19 27.342 24.747 44.591 1.00 0.00 H new ATOM 0 HB2 LYS A 19 26.583 23.670 42.364 1.00 0.00 H new ATOM 0 HB3 LYS A 19 26.714 25.266 41.651 1.00 0.00 H new ATOM 0 HG2 LYS A 19 28.761 24.282 41.094 1.00 0.00 H new ATOM 0 HG3 LYS A 19 29.171 25.247 42.498 1.00 0.00 H new ATOM 0 HD2 LYS A 19 28.918 23.193 43.940 1.00 0.00 H new ATOM 0 HD3 LYS A 19 28.606 22.248 42.498 1.00 0.00 H new ATOM 0 HE2 LYS A 19 31.181 23.780 43.071 1.00 0.00 H new ATOM 0 HE3 LYS A 19 30.966 22.053 43.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 32.059 22.557 41.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 30.545 21.848 40.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 30.754 23.521 40.705 1.00 0.00 H new ATOM 284 N ASN A 20 28.201 27.086 44.728 1.00 0.00 N ATOM 285 CA ASN A 20 28.585 28.472 45.076 1.00 0.00 C ATOM 286 C ASN A 20 29.207 29.307 43.929 1.00 0.00 C ATOM 287 O ASN A 20 29.437 30.508 44.101 1.00 0.00 O ATOM 288 CB ASN A 20 29.564 28.433 46.267 1.00 0.00 C ATOM 289 CG ASN A 20 28.890 28.064 47.584 1.00 0.00 C ATOM 290 OD1 ASN A 20 28.350 28.914 48.285 1.00 0.00 O ATOM 291 ND2 ASN A 20 28.903 26.799 47.946 1.00 0.00 N ATOM 0 H ASN A 20 28.767 26.389 45.213 1.00 0.00 H new ATOM 0 HA ASN A 20 27.652 28.980 45.320 1.00 0.00 H new ATOM 0 HB2 ASN A 20 30.355 27.713 46.056 1.00 0.00 H new ATOM 0 HB3 ASN A 20 30.040 29.408 46.370 1.00 0.00 H new ATOM 0 HD21 ASN A 20 28.460 26.514 48.820 1.00 0.00 H new ATOM 0 HD22 ASN A 20 29.356 26.103 47.353 1.00 0.00 H new ATOM 298 N LEU A 21 29.502 28.688 42.783 1.00 0.00 N ATOM 299 CA LEU A 21 30.214 29.259 41.633 1.00 0.00 C ATOM 300 C LEU A 21 29.870 28.464 40.349 1.00 0.00 C ATOM 301 O LEU A 21 29.300 27.368 40.473 1.00 0.00 O ATOM 302 CB LEU A 21 31.725 29.343 41.971 1.00 0.00 C ATOM 303 CG LEU A 21 32.566 28.060 41.800 1.00 0.00 C ATOM 304 CD1 LEU A 21 34.035 28.371 42.125 1.00 0.00 C ATOM 305 CD2 LEU A 21 32.109 26.910 42.715 1.00 0.00 C ATOM 0 H LEU A 21 29.235 27.717 42.622 1.00 0.00 H new ATOM 0 HA LEU A 21 29.892 30.280 41.426 1.00 0.00 H new ATOM 0 HB2 LEU A 21 32.166 30.120 41.347 1.00 0.00 H new ATOM 0 HB3 LEU A 21 31.820 29.672 43.006 1.00 0.00 H new ATOM 0 HG LEU A 21 32.437 27.737 40.767 1.00 0.00 H new ATOM 0 HD11 LEU A 21 34.633 27.468 42.006 1.00 0.00 H new ATOM 0 HD12 LEU A 21 34.402 29.142 41.447 1.00 0.00 H new ATOM 0 HD13 LEU A 21 34.113 28.725 43.153 1.00 0.00 H new ATOM 0 HD21 LEU A 21 32.740 26.038 42.546 1.00 0.00 H new ATOM 0 HD22 LEU A 21 32.190 27.220 43.757 1.00 0.00 H new ATOM 0 HD23 LEU A 21 31.073 26.657 42.491 1.00 0.00 H new ATOM 317 N PRO A 22 30.166 28.967 39.133 1.00 0.00 N ATOM 318 CA PRO A 22 29.782 28.315 37.884 1.00 0.00 C ATOM 319 C PRO A 22 30.701 27.135 37.546 1.00 0.00 C ATOM 320 O PRO A 22 31.829 27.034 38.033 1.00 0.00 O ATOM 321 CB PRO A 22 29.850 29.409 36.815 1.00 0.00 C ATOM 322 CG PRO A 22 30.972 30.311 37.328 1.00 0.00 C ATOM 323 CD PRO A 22 30.844 30.222 38.852 1.00 0.00 C ATOM 0 HA PRO A 22 28.783 27.884 37.954 1.00 0.00 H new ATOM 0 HB2 PRO A 22 30.078 29.000 35.831 1.00 0.00 H new ATOM 0 HB3 PRO A 22 28.906 29.947 36.726 1.00 0.00 H new ATOM 0 HG2 PRO A 22 31.949 29.967 36.988 1.00 0.00 H new ATOM 0 HG3 PRO A 22 30.854 31.336 36.976 1.00 0.00 H new ATOM 0 HD2 PRO A 22 31.825 30.249 39.327 1.00 0.00 H new ATOM 0 HD3 PRO A 22 30.277 31.066 39.244 1.00 0.00 H new ATOM 331 N TYR A 23 30.204 26.241 36.695 1.00 0.00 N ATOM 332 CA TYR A 23 30.939 25.126 36.087 1.00 0.00 C ATOM 333 C TYR A 23 30.852 25.205 34.555 1.00 0.00 C ATOM 334 O TYR A 23 29.826 25.589 33.991 1.00 0.00 O ATOM 335 CB TYR A 23 30.395 23.782 36.604 1.00 0.00 C ATOM 336 CG TYR A 23 28.916 23.532 36.345 1.00 0.00 C ATOM 337 CD1 TYR A 23 27.955 23.966 37.280 1.00 0.00 C ATOM 338 CD2 TYR A 23 28.501 22.878 35.169 1.00 0.00 C ATOM 339 CE1 TYR A 23 26.584 23.762 37.035 1.00 0.00 C ATOM 340 CE2 TYR A 23 27.131 22.669 34.916 1.00 0.00 C ATOM 341 CZ TYR A 23 26.169 23.114 35.851 1.00 0.00 C ATOM 342 OH TYR A 23 24.843 22.951 35.603 1.00 0.00 O ATOM 0 H TYR A 23 29.230 26.273 36.393 1.00 0.00 H new ATOM 0 HA TYR A 23 31.989 25.197 36.371 1.00 0.00 H new ATOM 0 HB2 TYR A 23 30.968 22.977 36.144 1.00 0.00 H new ATOM 0 HB3 TYR A 23 30.573 23.727 37.678 1.00 0.00 H new ATOM 0 HD1 TYR A 23 28.272 24.457 38.188 1.00 0.00 H new ATOM 0 HD2 TYR A 23 29.237 22.535 34.457 1.00 0.00 H new ATOM 0 HE1 TYR A 23 25.850 24.101 37.752 1.00 0.00 H new ATOM 0 HE2 TYR A 23 26.817 22.171 34.011 1.00 0.00 H new ATOM 0 HH TYR A 23 24.725 22.488 34.747 1.00 0.00 H new ATOM 352 N TYR A 24 31.932 24.837 33.864 1.00 0.00 N ATOM 353 CA TYR A 24 32.030 24.998 32.410 1.00 0.00 C ATOM 354 C TYR A 24 31.678 23.675 31.710 1.00 0.00 C ATOM 355 O TYR A 24 32.469 22.729 31.680 1.00 0.00 O ATOM 356 CB TYR A 24 33.424 25.539 32.062 1.00 0.00 C ATOM 357 CG TYR A 24 33.885 26.684 32.950 1.00 0.00 C ATOM 358 CD1 TYR A 24 33.072 27.823 33.124 1.00 0.00 C ATOM 359 CD2 TYR A 24 35.092 26.577 33.669 1.00 0.00 C ATOM 360 CE1 TYR A 24 33.437 28.829 34.039 1.00 0.00 C ATOM 361 CE2 TYR A 24 35.466 27.580 34.581 1.00 0.00 C ATOM 362 CZ TYR A 24 34.628 28.700 34.786 1.00 0.00 C ATOM 363 OH TYR A 24 34.952 29.630 35.727 1.00 0.00 O ATOM 0 H TYR A 24 32.759 24.421 34.292 1.00 0.00 H new ATOM 0 HA TYR A 24 31.307 25.727 32.044 1.00 0.00 H new ATOM 0 HB2 TYR A 24 34.146 24.725 32.133 1.00 0.00 H new ATOM 0 HB3 TYR A 24 33.423 25.875 31.025 1.00 0.00 H new ATOM 0 HD1 TYR A 24 32.162 27.924 32.551 1.00 0.00 H new ATOM 0 HD2 TYR A 24 35.733 25.721 33.519 1.00 0.00 H new ATOM 0 HE1 TYR A 24 32.808 29.697 34.169 1.00 0.00 H new ATOM 0 HE2 TYR A 24 36.395 27.495 35.126 1.00 0.00 H new ATOM 0 HH TYR A 24 35.803 29.387 36.147 1.00 0.00 H new ATOM 373 N PHE A 25 30.448 23.579 31.209 1.00 0.00 N ATOM 374 CA PHE A 25 29.853 22.381 30.626 1.00 0.00 C ATOM 375 C PHE A 25 30.591 21.923 29.360 1.00 0.00 C ATOM 376 O PHE A 25 30.937 22.741 28.503 1.00 0.00 O ATOM 377 CB PHE A 25 28.367 22.669 30.370 1.00 0.00 C ATOM 378 CG PHE A 25 27.578 21.521 29.774 1.00 0.00 C ATOM 379 CD1 PHE A 25 27.103 20.496 30.613 1.00 0.00 C ATOM 380 CD2 PHE A 25 27.291 21.483 28.394 1.00 0.00 C ATOM 381 CE1 PHE A 25 26.360 19.433 30.074 1.00 0.00 C ATOM 382 CE2 PHE A 25 26.503 20.445 27.869 1.00 0.00 C ATOM 383 CZ PHE A 25 26.056 19.408 28.703 1.00 0.00 C ATOM 0 H PHE A 25 29.809 24.374 31.199 1.00 0.00 H new ATOM 0 HA PHE A 25 29.946 21.547 31.321 1.00 0.00 H new ATOM 0 HB2 PHE A 25 27.902 22.957 31.313 1.00 0.00 H new ATOM 0 HB3 PHE A 25 28.290 23.527 29.702 1.00 0.00 H new ATOM 0 HD1 PHE A 25 27.310 20.527 31.673 1.00 0.00 H new ATOM 0 HD2 PHE A 25 27.677 22.252 27.741 1.00 0.00 H new ATOM 0 HE1 PHE A 25 26.022 18.633 30.715 1.00 0.00 H new ATOM 0 HE2 PHE A 25 26.241 20.445 26.821 1.00 0.00 H new ATOM 0 HZ PHE A 25 25.480 18.593 28.291 1.00 0.00 H new ATOM 393 N ASN A 26 30.807 20.607 29.250 1.00 0.00 N ATOM 394 CA ASN A 26 31.256 19.950 28.022 1.00 0.00 C ATOM 395 C ASN A 26 30.021 19.398 27.272 1.00 0.00 C ATOM 396 O ASN A 26 29.276 18.609 27.860 1.00 0.00 O ATOM 397 CB ASN A 26 32.270 18.840 28.378 1.00 0.00 C ATOM 398 CG ASN A 26 32.895 18.163 27.156 1.00 0.00 C ATOM 399 OD1 ASN A 26 32.365 18.197 26.054 1.00 0.00 O ATOM 400 ND2 ASN A 26 34.037 17.517 27.304 1.00 0.00 N ATOM 0 H ASN A 26 30.672 19.960 30.027 1.00 0.00 H new ATOM 0 HA ASN A 26 31.762 20.656 27.363 1.00 0.00 H new ATOM 0 HB2 ASN A 26 33.063 19.268 28.991 1.00 0.00 H new ATOM 0 HB3 ASN A 26 31.771 18.085 28.985 1.00 0.00 H new ATOM 0 HD21 ASN A 26 34.468 17.053 26.504 1.00 0.00 H new ATOM 0 HD22 ASN A 26 34.488 17.482 28.218 1.00 0.00 H new ATOM 407 N PRO A 27 29.769 19.788 26.007 1.00 0.00 N ATOM 408 CA PRO A 27 28.659 19.250 25.227 1.00 0.00 C ATOM 409 C PRO A 27 28.947 17.857 24.652 1.00 0.00 C ATOM 410 O PRO A 27 28.048 17.021 24.597 1.00 0.00 O ATOM 411 CB PRO A 27 28.432 20.273 24.114 1.00 0.00 C ATOM 412 CG PRO A 27 29.809 20.895 23.890 1.00 0.00 C ATOM 413 CD PRO A 27 30.416 20.881 25.292 1.00 0.00 C ATOM 0 HA PRO A 27 27.778 19.107 25.853 1.00 0.00 H new ATOM 0 HB2 PRO A 27 28.057 19.798 23.207 1.00 0.00 H new ATOM 0 HB3 PRO A 27 27.699 21.024 24.407 1.00 0.00 H new ATOM 0 HG2 PRO A 27 30.405 20.316 23.185 1.00 0.00 H new ATOM 0 HG3 PRO A 27 29.736 21.906 23.490 1.00 0.00 H new ATOM 0 HD2 PRO A 27 31.495 20.732 25.247 1.00 0.00 H new ATOM 0 HD3 PRO A 27 30.247 21.831 25.799 1.00 0.00 H new ATOM 421 N ALA A 28 30.187 17.583 24.229 1.00 0.00 N ATOM 422 CA ALA A 28 30.542 16.380 23.472 1.00 0.00 C ATOM 423 C ALA A 28 30.843 15.149 24.354 1.00 0.00 C ATOM 424 O ALA A 28 30.902 14.027 23.843 1.00 0.00 O ATOM 425 CB ALA A 28 31.725 16.748 22.568 1.00 0.00 C ATOM 0 H ALA A 28 30.981 18.199 24.406 1.00 0.00 H new ATOM 0 HA ALA A 28 29.682 16.067 22.880 1.00 0.00 H new ATOM 0 HB1 ALA A 28 32.022 15.876 21.985 1.00 0.00 H new ATOM 0 HB2 ALA A 28 31.431 17.553 21.894 1.00 0.00 H new ATOM 0 HB3 ALA A 28 32.564 17.077 23.182 1.00 0.00 H new ATOM 431 N THR A 29 31.008 15.349 25.668 1.00 0.00 N ATOM 432 CA THR A 29 31.164 14.310 26.703 1.00 0.00 C ATOM 433 C THR A 29 30.279 14.680 27.890 1.00 0.00 C ATOM 434 O THR A 29 30.207 15.858 28.234 1.00 0.00 O ATOM 435 CB THR A 29 32.631 14.202 27.151 1.00 0.00 C ATOM 436 OG1 THR A 29 33.473 14.029 26.033 1.00 0.00 O ATOM 437 CG2 THR A 29 32.861 13.003 28.069 1.00 0.00 C ATOM 0 H THR A 29 31.038 16.289 26.062 1.00 0.00 H new ATOM 0 HA THR A 29 30.868 13.343 26.298 1.00 0.00 H new ATOM 0 HB THR A 29 32.859 15.125 27.684 1.00 0.00 H new ATOM 0 HG1 THR A 29 34.404 13.963 26.332 1.00 0.00 H new ATOM 0 HG21 THR A 29 33.910 12.965 28.361 1.00 0.00 H new ATOM 0 HG22 THR A 29 32.240 13.102 28.959 1.00 0.00 H new ATOM 0 HG23 THR A 29 32.597 12.086 27.542 1.00 0.00 H new ATOM 445 N ARG A 30 29.619 13.717 28.545 1.00 0.00 N ATOM 446 CA ARG A 30 28.910 13.943 29.819 1.00 0.00 C ATOM 447 C ARG A 30 29.924 14.268 30.923 1.00 0.00 C ATOM 448 O ARG A 30 30.453 13.371 31.581 1.00 0.00 O ATOM 449 CB ARG A 30 28.052 12.719 30.197 1.00 0.00 C ATOM 450 CG ARG A 30 26.722 12.620 29.436 1.00 0.00 C ATOM 451 CD ARG A 30 25.695 13.676 29.879 1.00 0.00 C ATOM 452 NE ARG A 30 24.351 13.323 29.399 1.00 0.00 N ATOM 453 CZ ARG A 30 23.206 13.948 29.645 1.00 0.00 C ATOM 454 NH1 ARG A 30 23.129 15.034 30.388 1.00 0.00 N ATOM 455 NH2 ARG A 30 22.097 13.466 29.129 1.00 0.00 N ATOM 0 H ARG A 30 29.559 12.756 28.209 1.00 0.00 H new ATOM 0 HA ARG A 30 28.235 14.791 29.702 1.00 0.00 H new ATOM 0 HB2 ARG A 30 28.631 11.814 30.013 1.00 0.00 H new ATOM 0 HB3 ARG A 30 27.844 12.752 31.266 1.00 0.00 H new ATOM 0 HG2 ARG A 30 26.912 12.731 28.368 1.00 0.00 H new ATOM 0 HG3 ARG A 30 26.299 11.626 29.583 1.00 0.00 H new ATOM 0 HD2 ARG A 30 25.690 13.753 30.966 1.00 0.00 H new ATOM 0 HD3 ARG A 30 25.980 14.654 29.491 1.00 0.00 H new ATOM 0 HE ARG A 30 24.291 12.497 28.804 1.00 0.00 H new ATOM 0 HH11 ARG A 30 23.973 15.429 30.802 1.00 0.00 H new ATOM 0 HH12 ARG A 30 22.225 15.479 30.549 1.00 0.00 H new ATOM 0 HH21 ARG A 30 22.126 12.626 28.551 1.00 0.00 H new ATOM 0 HH22 ARG A 30 21.207 13.932 29.307 1.00 0.00 H new ATOM 469 N GLU A 31 30.237 15.552 31.081 1.00 0.00 N ATOM 470 CA GLU A 31 31.280 16.073 31.964 1.00 0.00 C ATOM 471 C GLU A 31 31.204 17.614 32.024 1.00 0.00 C ATOM 472 O GLU A 31 30.383 18.249 31.356 1.00 0.00 O ATOM 473 CB GLU A 31 32.671 15.586 31.481 1.00 0.00 C ATOM 474 CG GLU A 31 33.671 15.302 32.609 1.00 0.00 C ATOM 475 CD GLU A 31 33.378 14.011 33.379 1.00 0.00 C ATOM 476 OE1 GLU A 31 32.600 14.066 34.358 1.00 0.00 O ATOM 477 OE2 GLU A 31 33.999 12.961 33.086 1.00 0.00 O ATOM 0 H GLU A 31 29.749 16.291 30.575 1.00 0.00 H new ATOM 0 HA GLU A 31 31.125 15.695 32.975 1.00 0.00 H new ATOM 0 HB2 GLU A 31 32.540 14.679 30.891 1.00 0.00 H new ATOM 0 HB3 GLU A 31 33.095 16.339 30.817 1.00 0.00 H new ATOM 0 HG2 GLU A 31 34.674 15.244 32.187 1.00 0.00 H new ATOM 0 HG3 GLU A 31 33.667 16.140 33.306 1.00 0.00 H new ATOM 484 N SER A 32 32.081 18.235 32.804 1.00 0.00 N ATOM 485 CA SER A 32 32.286 19.684 32.881 1.00 0.00 C ATOM 486 C SER A 32 33.664 19.984 33.495 1.00 0.00 C ATOM 487 O SER A 32 34.393 19.067 33.883 1.00 0.00 O ATOM 488 CB SER A 32 31.130 20.382 33.623 1.00 0.00 C ATOM 489 OG SER A 32 30.841 19.816 34.885 1.00 0.00 O ATOM 0 H SER A 32 32.700 17.721 33.431 1.00 0.00 H new ATOM 0 HA SER A 32 32.279 20.099 31.873 1.00 0.00 H new ATOM 0 HB2 SER A 32 31.378 21.435 33.755 1.00 0.00 H new ATOM 0 HB3 SER A 32 30.235 20.341 33.003 1.00 0.00 H new ATOM 0 HG SER A 32 30.101 20.306 35.301 1.00 0.00 H new ATOM 495 N ARG A 33 34.064 21.260 33.520 1.00 0.00 N ATOM 496 CA ARG A 33 35.398 21.699 33.927 1.00 0.00 C ATOM 497 C ARG A 33 35.304 22.755 35.037 1.00 0.00 C ATOM 498 O ARG A 33 34.446 23.638 35.006 1.00 0.00 O ATOM 499 CB ARG A 33 36.141 22.204 32.677 1.00 0.00 C ATOM 500 CG ARG A 33 37.664 22.268 32.840 1.00 0.00 C ATOM 501 CD ARG A 33 38.360 20.904 32.966 1.00 0.00 C ATOM 502 NE ARG A 33 38.314 20.108 31.728 1.00 0.00 N ATOM 503 CZ ARG A 33 37.632 18.995 31.476 1.00 0.00 C ATOM 504 NH1 ARG A 33 36.732 18.462 32.273 1.00 0.00 N ATOM 505 NH2 ARG A 33 37.878 18.369 30.351 1.00 0.00 N ATOM 0 H ARG A 33 33.453 22.032 33.251 1.00 0.00 H new ATOM 0 HA ARG A 33 35.966 20.871 34.352 1.00 0.00 H new ATOM 0 HB2 ARG A 33 35.903 21.551 31.837 1.00 0.00 H new ATOM 0 HB3 ARG A 33 35.771 23.197 32.424 1.00 0.00 H new ATOM 0 HG2 ARG A 33 38.084 22.796 31.984 1.00 0.00 H new ATOM 0 HG3 ARG A 33 37.895 22.861 33.725 1.00 0.00 H new ATOM 0 HD2 ARG A 33 39.401 21.060 33.250 1.00 0.00 H new ATOM 0 HD3 ARG A 33 37.891 20.338 33.771 1.00 0.00 H new ATOM 0 HE ARG A 33 38.884 20.459 30.958 1.00 0.00 H new ATOM 0 HH11 ARG A 33 36.512 18.908 33.164 1.00 0.00 H new ATOM 0 HH12 ARG A 33 36.254 17.603 32.001 1.00 0.00 H new ATOM 0 HH21 ARG A 33 38.573 18.739 29.703 1.00 0.00 H new ATOM 0 HH22 ARG A 33 37.374 17.512 30.124 1.00 0.00 H new ATOM 519 N TRP A 34 36.190 22.623 36.026 1.00 0.00 N ATOM 520 CA TRP A 34 36.102 23.279 37.342 1.00 0.00 C ATOM 521 C TRP A 34 37.076 24.459 37.491 1.00 0.00 C ATOM 522 O TRP A 34 36.776 25.440 38.166 1.00 0.00 O ATOM 523 CB TRP A 34 36.398 22.209 38.418 1.00 0.00 C ATOM 524 CG TRP A 34 36.013 20.801 38.062 1.00 0.00 C ATOM 525 CD1 TRP A 34 34.827 20.207 38.322 1.00 0.00 C ATOM 526 CD2 TRP A 34 36.784 19.821 37.292 1.00 0.00 C ATOM 527 NE1 TRP A 34 34.808 18.944 37.770 1.00 0.00 N ATOM 528 CE2 TRP A 34 35.974 18.662 37.091 1.00 0.00 C ATOM 529 CE3 TRP A 34 38.070 19.816 36.711 1.00 0.00 C ATOM 530 CZ2 TRP A 34 36.418 17.560 36.348 1.00 0.00 C ATOM 531 CZ3 TRP A 34 38.528 18.709 35.963 1.00 0.00 C ATOM 532 CH2 TRP A 34 37.702 17.589 35.775 1.00 0.00 C ATOM 0 H TRP A 34 37.020 22.037 35.934 1.00 0.00 H new ATOM 0 HA TRP A 34 35.102 23.697 37.456 1.00 0.00 H new ATOM 0 HB2 TRP A 34 37.465 22.229 38.640 1.00 0.00 H new ATOM 0 HB3 TRP A 34 35.877 22.488 39.334 1.00 0.00 H new ATOM 0 HD1 TRP A 34 34.017 20.654 38.878 1.00 0.00 H new ATOM 0 HE1 TRP A 34 34.025 18.296 37.854 1.00 0.00 H new ATOM 0 HE3 TRP A 34 38.715 20.673 36.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 35.781 16.698 36.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 39.519 18.724 35.533 1.00 0.00 H new ATOM 0 HH2 TRP A 34 38.052 16.751 35.191 1.00 0.00 H new ATOM 543 N GLU A 35 38.233 24.362 36.834 1.00 0.00 N ATOM 544 CA GLU A 35 39.338 25.323 36.787 1.00 0.00 C ATOM 545 C GLU A 35 39.934 25.288 35.369 1.00 0.00 C ATOM 546 O GLU A 35 39.732 24.284 34.678 1.00 0.00 O ATOM 547 CB GLU A 35 40.466 24.891 37.744 1.00 0.00 C ATOM 548 CG GLU A 35 40.128 24.996 39.229 1.00 0.00 C ATOM 549 CD GLU A 35 41.284 24.428 40.043 1.00 0.00 C ATOM 550 OE1 GLU A 35 42.220 25.191 40.385 1.00 0.00 O ATOM 551 OE2 GLU A 35 41.263 23.207 40.329 1.00 0.00 O ATOM 0 H GLU A 35 38.439 23.537 36.272 1.00 0.00 H new ATOM 0 HA GLU A 35 38.963 26.308 37.063 1.00 0.00 H new ATOM 0 HB2 GLU A 35 40.736 23.859 37.520 1.00 0.00 H new ATOM 0 HB3 GLU A 35 41.346 25.502 37.543 1.00 0.00 H new ATOM 0 HG2 GLU A 35 39.951 26.036 39.502 1.00 0.00 H new ATOM 0 HG3 GLU A 35 39.210 24.449 39.446 1.00 0.00 H new ATOM 558 N PRO A 36 40.707 26.306 34.942 1.00 0.00 N ATOM 559 CA PRO A 36 41.542 26.232 33.746 1.00 0.00 C ATOM 560 C PRO A 36 42.498 25.014 33.804 1.00 0.00 C ATOM 561 O PRO A 36 43.370 24.985 34.678 1.00 0.00 O ATOM 562 CB PRO A 36 42.288 27.572 33.676 1.00 0.00 C ATOM 563 CG PRO A 36 41.372 28.520 34.444 1.00 0.00 C ATOM 564 CD PRO A 36 40.787 27.631 35.537 1.00 0.00 C ATOM 0 HA PRO A 36 40.951 26.079 32.843 1.00 0.00 H new ATOM 0 HB2 PRO A 36 43.276 27.508 34.133 1.00 0.00 H new ATOM 0 HB3 PRO A 36 42.434 27.899 32.646 1.00 0.00 H new ATOM 0 HG2 PRO A 36 41.924 29.362 34.862 1.00 0.00 H new ATOM 0 HG3 PRO A 36 40.594 28.935 33.803 1.00 0.00 H new ATOM 0 HD2 PRO A 36 41.420 27.628 36.424 1.00 0.00 H new ATOM 0 HD3 PRO A 36 39.804 27.984 35.849 1.00 0.00 H new ATOM 572 N PRO A 37 42.347 24.014 32.906 1.00 0.00 N ATOM 573 CA PRO A 37 43.146 22.782 32.882 1.00 0.00 C ATOM 574 C PRO A 37 44.527 23.004 32.242 1.00 0.00 C ATOM 575 O PRO A 37 44.942 24.140 32.045 1.00 0.00 O ATOM 576 CB PRO A 37 42.290 21.785 32.089 1.00 0.00 C ATOM 577 CG PRO A 37 41.571 22.676 31.090 1.00 0.00 C ATOM 578 CD PRO A 37 41.300 23.938 31.895 1.00 0.00 C ATOM 0 HA PRO A 37 43.369 22.417 33.885 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.902 21.033 31.592 1.00 0.00 H new ATOM 0 HB3 PRO A 37 41.590 21.252 32.732 1.00 0.00 H new ATOM 0 HG2 PRO A 37 42.187 22.880 30.214 1.00 0.00 H new ATOM 0 HG3 PRO A 37 40.648 22.219 30.732 1.00 0.00 H new ATOM 0 HD2 PRO A 37 41.315 24.819 31.253 1.00 0.00 H new ATOM 0 HD3 PRO A 37 40.314 23.899 32.359 1.00 0.00 H new ATOM 586 N ALA A 38 45.255 21.931 31.910 1.00 0.00 N ATOM 587 CA ALA A 38 46.560 22.024 31.241 1.00 0.00 C ATOM 588 C ALA A 38 46.477 22.224 29.709 1.00 0.00 C ATOM 589 O ALA A 38 47.447 22.638 29.073 1.00 0.00 O ATOM 590 CB ALA A 38 47.330 20.750 31.584 1.00 0.00 C ATOM 0 H ALA A 38 44.957 20.974 32.097 1.00 0.00 H new ATOM 0 HA ALA A 38 47.069 22.918 31.602 1.00 0.00 H new ATOM 0 HB1 ALA A 38 48.309 20.777 31.106 1.00 0.00 H new ATOM 0 HB2 ALA A 38 47.456 20.681 32.665 1.00 0.00 H new ATOM 0 HB3 ALA A 38 46.775 19.882 31.227 1.00 0.00 H new ATOM 596 N ASP A 39 45.321 21.918 29.115 1.00 0.00 N ATOM 597 CA ASP A 39 45.059 21.933 27.666 1.00 0.00 C ATOM 598 C ASP A 39 44.430 23.257 27.170 1.00 0.00 C ATOM 599 O ASP A 39 43.994 23.357 26.025 1.00 0.00 O ATOM 600 CB ASP A 39 44.177 20.712 27.357 1.00 0.00 C ATOM 601 CG ASP A 39 43.975 20.413 25.866 1.00 0.00 C ATOM 602 OD1 ASP A 39 44.973 20.230 25.123 1.00 0.00 O ATOM 603 OD2 ASP A 39 42.802 20.251 25.466 1.00 0.00 O ATOM 0 H ASP A 39 44.501 21.639 29.653 1.00 0.00 H new ATOM 0 HA ASP A 39 46.002 21.873 27.122 1.00 0.00 H new ATOM 0 HB2 ASP A 39 44.619 19.835 27.830 1.00 0.00 H new ATOM 0 HB3 ASP A 39 43.200 20.864 27.816 1.00 0.00 H new ATOM 608 N THR A 40 44.345 24.264 28.048 1.00 0.00 N ATOM 609 CA THR A 40 43.681 25.562 27.834 1.00 0.00 C ATOM 610 C THR A 40 44.656 26.666 27.406 1.00 0.00 C ATOM 611 O THR A 40 45.864 26.534 27.584 1.00 0.00 O ATOM 612 CB THR A 40 42.928 25.878 29.121 1.00 0.00 C ATOM 613 OG1 THR A 40 41.998 26.890 28.923 1.00 0.00 O ATOM 614 CG2 THR A 40 43.837 26.355 30.244 1.00 0.00 C ATOM 0 H THR A 40 44.759 24.194 28.978 1.00 0.00 H new ATOM 0 HA THR A 40 42.984 25.508 26.998 1.00 0.00 H new ATOM 0 HB THR A 40 42.453 24.938 29.401 1.00 0.00 H new ATOM 0 HG1 THR A 40 41.686 26.870 27.994 1.00 0.00 H new ATOM 0 HG21 THR A 40 43.240 26.563 31.132 1.00 0.00 H new ATOM 0 HG22 THR A 40 44.570 25.581 30.473 1.00 0.00 H new ATOM 0 HG23 THR A 40 44.354 27.263 29.933 1.00 0.00 H new ATOM 622 N ASP A 41 44.140 27.761 26.837 1.00 0.00 N ATOM 623 CA ASP A 41 44.935 28.651 25.970 1.00 0.00 C ATOM 624 C ASP A 41 45.639 29.756 26.767 1.00 0.00 C ATOM 625 O ASP A 41 46.738 30.190 26.424 1.00 0.00 O ATOM 626 CB ASP A 41 43.978 29.275 24.939 1.00 0.00 C ATOM 627 CG ASP A 41 44.674 30.125 23.876 1.00 0.00 C ATOM 628 OD1 ASP A 41 45.322 29.540 22.977 1.00 0.00 O ATOM 629 OD2 ASP A 41 44.506 31.369 23.923 1.00 0.00 O ATOM 0 H ASP A 41 43.172 28.057 26.959 1.00 0.00 H new ATOM 0 HA ASP A 41 45.717 28.069 25.483 1.00 0.00 H new ATOM 0 HB2 ASP A 41 43.423 28.477 24.445 1.00 0.00 H new ATOM 0 HB3 ASP A 41 43.249 29.893 25.463 1.00 0.00 H new ATOM 634 N MET A 42 44.948 30.205 27.822 1.00 0.00 N ATOM 635 CA MET A 42 45.291 31.240 28.810 1.00 0.00 C ATOM 636 C MET A 42 45.497 32.654 28.248 1.00 0.00 C ATOM 637 O MET A 42 44.982 33.600 28.840 1.00 0.00 O ATOM 638 CB MET A 42 46.394 30.759 29.761 1.00 0.00 C ATOM 639 CG MET A 42 45.898 29.504 30.503 1.00 0.00 C ATOM 640 SD MET A 42 46.711 29.191 32.085 1.00 0.00 S ATOM 641 CE MET A 42 46.109 27.518 32.413 1.00 0.00 C ATOM 0 H MET A 42 44.031 29.808 28.028 1.00 0.00 H new ATOM 0 HA MET A 42 44.394 31.379 29.414 1.00 0.00 H new ATOM 0 HB2 MET A 42 47.302 30.533 29.202 1.00 0.00 H new ATOM 0 HB3 MET A 42 46.646 31.544 30.474 1.00 0.00 H new ATOM 0 HG2 MET A 42 44.826 29.600 30.674 1.00 0.00 H new ATOM 0 HG3 MET A 42 46.042 28.637 29.858 1.00 0.00 H new ATOM 0 HE1 MET A 42 46.598 27.123 33.304 1.00 0.00 H new ATOM 0 HE2 MET A 42 45.031 27.544 32.572 1.00 0.00 H new ATOM 0 HE3 MET A 42 46.335 26.877 31.561 1.00 0.00 H new ATOM 651 N GLU A 43 46.084 32.807 27.062 1.00 0.00 N ATOM 652 CA GLU A 43 46.125 34.063 26.302 1.00 0.00 C ATOM 653 C GLU A 43 44.713 34.567 25.939 1.00 0.00 C ATOM 654 O GLU A 43 44.492 35.777 25.865 1.00 0.00 O ATOM 655 CB GLU A 43 46.962 33.851 25.028 1.00 0.00 C ATOM 656 CG GLU A 43 47.569 35.153 24.493 1.00 0.00 C ATOM 657 CD GLU A 43 48.804 35.552 25.295 1.00 0.00 C ATOM 658 OE1 GLU A 43 49.918 35.122 24.933 1.00 0.00 O ATOM 659 OE2 GLU A 43 48.700 36.321 26.280 1.00 0.00 O ATOM 0 H GLU A 43 46.559 32.040 26.586 1.00 0.00 H new ATOM 0 HA GLU A 43 46.584 34.828 26.929 1.00 0.00 H new ATOM 0 HB2 GLU A 43 47.763 33.142 25.238 1.00 0.00 H new ATOM 0 HB3 GLU A 43 46.335 33.404 24.257 1.00 0.00 H new ATOM 0 HG2 GLU A 43 47.837 35.029 23.444 1.00 0.00 H new ATOM 0 HG3 GLU A 43 46.827 35.950 24.540 1.00 0.00 H new ATOM 666 N THR A 44 43.743 33.652 25.779 1.00 0.00 N ATOM 667 CA THR A 44 42.297 33.939 25.665 1.00 0.00 C ATOM 668 C THR A 44 41.542 33.637 26.971 1.00 0.00 C ATOM 669 O THR A 44 40.358 33.313 26.943 1.00 0.00 O ATOM 670 CB THR A 44 41.670 33.190 24.467 1.00 0.00 C ATOM 671 OG1 THR A 44 42.547 33.173 23.360 1.00 0.00 O ATOM 672 CG2 THR A 44 40.374 33.852 23.974 1.00 0.00 C ATOM 0 H THR A 44 43.948 32.654 25.723 1.00 0.00 H new ATOM 0 HA THR A 44 42.197 35.009 25.480 1.00 0.00 H new ATOM 0 HB THR A 44 41.466 32.184 24.834 1.00 0.00 H new ATOM 0 HG1 THR A 44 43.279 32.545 23.533 1.00 0.00 H new ATOM 0 HG21 THR A 44 39.974 33.287 23.132 1.00 0.00 H new ATOM 0 HG22 THR A 44 39.642 33.866 24.782 1.00 0.00 H new ATOM 0 HG23 THR A 44 40.585 34.874 23.658 1.00 0.00 H new ATOM 680 N LEU A 45 42.186 33.683 28.145 1.00 0.00 N ATOM 681 CA LEU A 45 41.455 33.595 29.420 1.00 0.00 C ATOM 682 C LEU A 45 41.776 34.668 30.429 1.00 0.00 C ATOM 683 O LEU A 45 40.942 34.850 31.306 1.00 0.00 O ATOM 684 CB LEU A 45 41.632 32.251 30.136 1.00 0.00 C ATOM 685 CG LEU A 45 40.893 31.086 29.487 1.00 0.00 C ATOM 686 CD1 LEU A 45 41.343 29.792 30.179 1.00 0.00 C ATOM 687 CD2 LEU A 45 39.371 31.103 29.504 1.00 0.00 C ATOM 0 H LEU A 45 43.197 33.779 28.241 1.00 0.00 H new ATOM 0 HA LEU A 45 40.427 33.726 29.083 1.00 0.00 H new ATOM 0 HB2 LEU A 45 42.695 32.013 30.177 1.00 0.00 H new ATOM 0 HB3 LEU A 45 41.289 32.354 31.165 1.00 0.00 H new ATOM 0 HG LEU A 45 41.157 31.167 28.432 1.00 0.00 H new ATOM 0 HD11 LEU A 45 40.828 28.942 29.732 1.00 0.00 H new ATOM 0 HD12 LEU A 45 42.419 29.669 30.057 1.00 0.00 H new ATOM 0 HD13 LEU A 45 41.102 29.845 31.241 1.00 0.00 H new ATOM 0 HD21 LEU A 45 38.992 30.211 29.006 1.00 0.00 H new ATOM 0 HD22 LEU A 45 39.019 31.120 30.535 1.00 0.00 H new ATOM 0 HD23 LEU A 45 39.011 31.990 28.983 1.00 0.00 H new ATOM 699 N LYS A 46 42.893 35.392 30.390 1.00 0.00 N ATOM 700 CA LYS A 46 43.057 36.436 31.409 1.00 0.00 C ATOM 701 C LYS A 46 42.020 37.582 31.232 1.00 0.00 C ATOM 702 O LYS A 46 41.555 38.176 32.207 1.00 0.00 O ATOM 703 CB LYS A 46 44.504 36.962 31.444 1.00 0.00 C ATOM 704 CG LYS A 46 45.464 36.223 32.395 1.00 0.00 C ATOM 705 CD LYS A 46 45.785 34.765 32.021 1.00 0.00 C ATOM 706 CE LYS A 46 44.830 33.720 32.622 1.00 0.00 C ATOM 707 NZ LYS A 46 45.014 33.601 34.094 1.00 0.00 N ATOM 0 H LYS A 46 43.652 35.292 29.716 1.00 0.00 H new ATOM 0 HA LYS A 46 42.858 35.982 32.380 1.00 0.00 H new ATOM 0 HB2 LYS A 46 44.913 36.912 30.435 1.00 0.00 H new ATOM 0 HB3 LYS A 46 44.481 38.014 31.727 1.00 0.00 H new ATOM 0 HG2 LYS A 46 46.399 36.781 32.442 1.00 0.00 H new ATOM 0 HG3 LYS A 46 45.034 36.235 33.397 1.00 0.00 H new ATOM 0 HD2 LYS A 46 45.767 34.671 30.935 1.00 0.00 H new ATOM 0 HD3 LYS A 46 46.801 34.537 32.344 1.00 0.00 H new ATOM 0 HE2 LYS A 46 43.799 33.999 32.404 1.00 0.00 H new ATOM 0 HE3 LYS A 46 45.005 32.752 32.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 44.484 32.778 34.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 46.024 33.479 34.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 44.663 34.463 34.559 1.00 0.00 H new ATOM 721 N MET A 47 41.558 37.783 29.991 1.00 0.00 N ATOM 722 CA MET A 47 40.377 38.562 29.576 1.00 0.00 C ATOM 723 C MET A 47 39.035 38.086 30.168 1.00 0.00 C ATOM 724 O MET A 47 38.024 38.783 30.060 1.00 0.00 O ATOM 725 CB MET A 47 40.297 38.513 28.036 1.00 0.00 C ATOM 726 CG MET A 47 40.070 37.106 27.456 1.00 0.00 C ATOM 727 SD MET A 47 39.946 37.073 25.650 1.00 0.00 S ATOM 728 CE MET A 47 38.213 37.578 25.504 1.00 0.00 C ATOM 0 H MET A 47 42.035 37.375 29.187 1.00 0.00 H new ATOM 0 HA MET A 47 40.518 39.571 29.963 1.00 0.00 H new ATOM 0 HB2 MET A 47 39.488 39.164 27.705 1.00 0.00 H new ATOM 0 HB3 MET A 47 41.221 38.918 27.623 1.00 0.00 H new ATOM 0 HG2 MET A 47 40.890 36.458 27.767 1.00 0.00 H new ATOM 0 HG3 MET A 47 39.157 36.691 27.881 1.00 0.00 H new ATOM 0 HE1 MET A 47 37.929 37.602 24.452 1.00 0.00 H new ATOM 0 HE2 MET A 47 37.581 36.866 26.034 1.00 0.00 H new ATOM 0 HE3 MET A 47 38.085 38.570 25.938 1.00 0.00 H new ATOM 738 N TYR A 48 39.003 36.878 30.735 1.00 0.00 N ATOM 739 CA TYR A 48 37.793 36.130 31.085 1.00 0.00 C ATOM 740 C TYR A 48 37.777 35.655 32.557 1.00 0.00 C ATOM 741 O TYR A 48 36.862 35.994 33.304 1.00 0.00 O ATOM 742 CB TYR A 48 37.692 34.941 30.109 1.00 0.00 C ATOM 743 CG TYR A 48 36.627 33.963 30.534 1.00 0.00 C ATOM 744 CD1 TYR A 48 35.259 34.276 30.446 1.00 0.00 C ATOM 745 CD2 TYR A 48 37.040 32.741 31.082 1.00 0.00 C ATOM 746 CE1 TYR A 48 34.305 33.354 30.919 1.00 0.00 C ATOM 747 CE2 TYR A 48 36.098 31.805 31.526 1.00 0.00 C ATOM 748 CZ TYR A 48 34.723 32.121 31.473 1.00 0.00 C ATOM 749 OH TYR A 48 33.804 31.235 31.933 1.00 0.00 O ATOM 0 H TYR A 48 39.856 36.372 30.973 1.00 0.00 H new ATOM 0 HA TYR A 48 36.927 36.786 30.993 1.00 0.00 H new ATOM 0 HB2 TYR A 48 37.470 35.310 29.108 1.00 0.00 H new ATOM 0 HB3 TYR A 48 38.654 34.431 30.055 1.00 0.00 H new ATOM 0 HD1 TYR A 48 34.942 35.216 30.019 1.00 0.00 H new ATOM 0 HD2 TYR A 48 38.094 32.519 31.163 1.00 0.00 H new ATOM 0 HE1 TYR A 48 33.253 33.589 30.859 1.00 0.00 H new ATOM 0 HE2 TYR A 48 36.421 30.847 31.907 1.00 0.00 H new ATOM 0 HH TYR A 48 34.215 30.659 32.611 1.00 0.00 H new ATOM 759 N MET A 49 38.791 34.888 32.977 1.00 0.00 N ATOM 760 CA MET A 49 38.942 34.249 34.296 1.00 0.00 C ATOM 761 C MET A 49 39.118 35.226 35.477 1.00 0.00 C ATOM 762 O MET A 49 39.032 34.794 36.627 1.00 0.00 O ATOM 763 CB MET A 49 40.125 33.254 34.230 1.00 0.00 C ATOM 764 CG MET A 49 39.798 31.916 33.553 1.00 0.00 C ATOM 765 SD MET A 49 38.395 30.960 34.204 1.00 0.00 S ATOM 766 CE MET A 49 38.870 30.875 35.952 1.00 0.00 C ATOM 0 H MET A 49 39.581 34.682 32.366 1.00 0.00 H new ATOM 0 HA MET A 49 38.003 33.736 34.505 1.00 0.00 H new ATOM 0 HB2 MET A 49 40.949 33.725 33.695 1.00 0.00 H new ATOM 0 HB3 MET A 49 40.474 33.057 35.244 1.00 0.00 H new ATOM 0 HG2 MET A 49 39.610 32.112 32.497 1.00 0.00 H new ATOM 0 HG3 MET A 49 40.686 31.287 33.607 1.00 0.00 H new ATOM 0 HE1 MET A 49 38.184 30.216 36.484 1.00 0.00 H new ATOM 0 HE2 MET A 49 39.885 30.486 36.035 1.00 0.00 H new ATOM 0 HE3 MET A 49 38.827 31.872 36.390 1.00 0.00 H new ATOM 776 N ALA A 50 39.342 36.520 35.221 1.00 0.00 N ATOM 777 CA ALA A 50 39.319 37.591 36.221 1.00 0.00 C ATOM 778 C ALA A 50 38.779 38.880 35.581 1.00 0.00 C ATOM 779 O ALA A 50 39.436 39.454 34.705 1.00 0.00 O ATOM 780 CB ALA A 50 40.732 37.771 36.799 1.00 0.00 C ATOM 0 H ALA A 50 39.551 36.860 34.282 1.00 0.00 H new ATOM 0 HA ALA A 50 38.653 37.335 37.045 1.00 0.00 H new ATOM 0 HB1 ALA A 50 40.722 38.567 37.544 1.00 0.00 H new ATOM 0 HB2 ALA A 50 41.055 36.841 37.266 1.00 0.00 H new ATOM 0 HB3 ALA A 50 41.422 38.033 35.997 1.00 0.00 H new ATOM 786 N THR A 51 37.570 39.295 35.987 1.00 0.00 N ATOM 787 CA THR A 51 36.726 40.269 35.269 1.00 0.00 C ATOM 788 C THR A 51 37.268 41.692 35.299 1.00 0.00 C ATOM 789 O THR A 51 37.343 42.326 34.252 1.00 0.00 O ATOM 790 CB THR A 51 35.301 40.239 35.840 1.00 0.00 C ATOM 791 OG1 THR A 51 34.815 38.920 35.771 1.00 0.00 O ATOM 792 CG2 THR A 51 34.325 41.111 35.052 1.00 0.00 C ATOM 0 H THR A 51 37.138 38.955 36.846 1.00 0.00 H new ATOM 0 HA THR A 51 36.726 39.966 34.222 1.00 0.00 H new ATOM 0 HB THR A 51 35.362 40.617 36.861 1.00 0.00 H new ATOM 0 HG1 THR A 51 33.906 38.887 36.135 1.00 0.00 H new ATOM 0 HG21 THR A 51 33.335 41.049 35.504 1.00 0.00 H new ATOM 0 HG22 THR A 51 34.667 42.146 35.069 1.00 0.00 H new ATOM 0 HG23 THR A 51 34.276 40.762 34.021 1.00 0.00 H new ATOM 800 N TYR A 52 37.591 42.224 36.477 1.00 0.00 N ATOM 801 CA TYR A 52 37.858 43.659 36.675 1.00 0.00 C ATOM 802 C TYR A 52 39.360 44.017 36.696 1.00 0.00 C ATOM 803 O TYR A 52 39.715 45.195 36.582 1.00 0.00 O ATOM 804 CB TYR A 52 37.150 44.082 37.971 1.00 0.00 C ATOM 805 CG TYR A 52 37.007 45.580 38.170 1.00 0.00 C ATOM 806 CD1 TYR A 52 36.029 46.299 37.454 1.00 0.00 C ATOM 807 CD2 TYR A 52 37.823 46.249 39.101 1.00 0.00 C ATOM 808 CE1 TYR A 52 35.857 47.681 37.672 1.00 0.00 C ATOM 809 CE2 TYR A 52 37.643 47.627 39.333 1.00 0.00 C ATOM 810 CZ TYR A 52 36.663 48.349 38.621 1.00 0.00 C ATOM 811 OH TYR A 52 36.485 49.674 38.887 1.00 0.00 O ATOM 0 H TYR A 52 37.677 41.672 37.331 1.00 0.00 H new ATOM 0 HA TYR A 52 37.467 44.211 35.820 1.00 0.00 H new ATOM 0 HB2 TYR A 52 36.157 43.633 37.987 1.00 0.00 H new ATOM 0 HB3 TYR A 52 37.699 43.670 38.817 1.00 0.00 H new ATOM 0 HD1 TYR A 52 35.407 45.788 36.734 1.00 0.00 H new ATOM 0 HD2 TYR A 52 38.587 45.706 39.638 1.00 0.00 H new ATOM 0 HE1 TYR A 52 35.111 48.228 37.115 1.00 0.00 H new ATOM 0 HE2 TYR A 52 38.260 48.134 40.061 1.00 0.00 H new ATOM 0 HH TYR A 52 37.129 49.961 39.567 1.00 0.00 H new ATOM 821 N HIS A 53 40.228 43.004 36.823 1.00 0.00 N ATOM 822 CA HIS A 53 41.697 43.095 36.747 1.00 0.00 C ATOM 823 C HIS A 53 42.164 43.420 35.328 1.00 0.00 C ATOM 824 O HIS A 53 41.921 42.602 34.411 1.00 0.00 O ATOM 825 CB HIS A 53 42.291 41.774 37.279 1.00 0.00 C ATOM 826 CG HIS A 53 43.801 41.679 37.292 1.00 0.00 C ATOM 827 ND1 HIS A 53 44.594 41.252 36.224 1.00 0.00 N ATOM 828 CD2 HIS A 53 44.606 41.868 38.376 1.00 0.00 C ATOM 829 CE1 HIS A 53 45.848 41.163 36.695 1.00 0.00 C ATOM 830 NE2 HIS A 53 45.890 41.547 37.981 1.00 0.00 N ATOM 831 OXT HIS A 53 42.772 44.499 35.141 1.00 0.00 O ATOM 0 H HIS A 53 39.911 42.049 36.990 1.00 0.00 H new ATOM 0 HA HIS A 53 42.054 43.917 37.367 1.00 0.00 H new ATOM 0 HB2 HIS A 53 41.929 41.620 38.296 1.00 0.00 H new ATOM 0 HB3 HIS A 53 41.901 40.955 36.675 1.00 0.00 H new ATOM 0 HD2 HIS A 53 44.299 42.204 39.355 1.00 0.00 H new ATOM 0 HE1 HIS A 53 46.701 40.830 36.122 1.00 0.00 H new ATOM 0 HE2 HIS A 53 46.725 41.594 38.565 1.00 0.00 H new TER 839 HIS A 53