USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 791 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc=-0.00751 (180deg=-0.657) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.0741 X(o=-0.074,f=-0.36) USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 123:sc= 0.798 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 85:sc= -0.143 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 35:sc= 0.0348 USER MOD Single : A 54 SER OG : rot 59:sc= 0.812 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.025 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl -153:sc= -0.155 (180deg=-0.937) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HE2:sc= -1.74 K(o=-1.7,f=-5!) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.563 USER MOD Single : A 69 GLN : amide:sc= -0.0179 K(o=-0.018,f=-1.2) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.191 K(o=-0.19,f=-2.1!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 31.614 4.132 12.846 1.00 0.00 N ATOM 2 CA MET A 1 30.583 5.143 13.015 1.00 0.00 C ATOM 3 C MET A 1 31.005 6.469 12.379 1.00 0.00 C ATOM 4 O MET A 1 30.899 7.523 13.003 1.00 0.00 O ATOM 5 CB MET A 1 30.317 5.355 14.507 1.00 0.00 C ATOM 6 CG MET A 1 31.624 5.362 15.302 1.00 0.00 C ATOM 7 SD MET A 1 31.413 6.282 16.817 1.00 0.00 S ATOM 8 CE MET A 1 33.066 6.172 17.480 1.00 0.00 C ATOM 0 H1 MET A 1 31.497 3.393 13.568 1.00 0.00 H new ATOM 0 H2 MET A 1 31.532 3.708 11.900 1.00 0.00 H new ATOM 0 H3 MET A 1 32.551 4.571 12.949 1.00 0.00 H new ATOM 0 HA MET A 1 29.676 4.797 12.520 1.00 0.00 H new ATOM 0 HB2 MET A 1 29.792 6.298 14.656 1.00 0.00 H new ATOM 0 HB3 MET A 1 29.665 4.565 14.880 1.00 0.00 H new ATOM 0 HG2 MET A 1 31.928 4.340 15.527 1.00 0.00 H new ATOM 0 HG3 MET A 1 32.420 5.807 14.705 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.111 6.699 18.433 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.329 5.125 17.631 1.00 0.00 H new ATOM 0 HE3 MET A 1 33.769 6.625 16.781 1.00 0.00 H new ATOM 18 N SER A 2 31.475 6.372 11.144 1.00 0.00 N ATOM 19 CA SER A 2 31.914 7.550 10.415 1.00 0.00 C ATOM 20 C SER A 2 31.620 7.383 8.923 1.00 0.00 C ATOM 21 O SER A 2 31.325 6.280 8.465 1.00 0.00 O ATOM 22 CB SER A 2 33.405 7.811 10.636 1.00 0.00 C ATOM 23 OG SER A 2 33.668 9.177 10.949 1.00 0.00 O ATOM 0 H SER A 2 31.561 5.495 10.630 1.00 0.00 H new ATOM 0 HA SER A 2 31.362 8.411 10.793 1.00 0.00 H new ATOM 0 HB2 SER A 2 33.768 7.177 11.445 1.00 0.00 H new ATOM 0 HB3 SER A 2 33.959 7.531 9.740 1.00 0.00 H new ATOM 0 HG SER A 2 34.630 9.302 11.084 1.00 0.00 H new ATOM 29 N ALA A 3 31.709 8.494 8.207 1.00 0.00 N ATOM 30 CA ALA A 3 31.456 8.484 6.776 1.00 0.00 C ATOM 31 C ALA A 3 30.065 7.905 6.512 1.00 0.00 C ATOM 32 O ALA A 3 29.429 7.370 7.420 1.00 0.00 O ATOM 33 CB ALA A 3 32.560 7.696 6.068 1.00 0.00 C ATOM 0 H ALA A 3 31.953 9.407 8.591 1.00 0.00 H new ATOM 0 HA ALA A 3 31.472 9.498 6.376 1.00 0.00 H new ATOM 0 HB1 ALA A 3 32.370 7.688 4.995 1.00 0.00 H new ATOM 0 HB2 ALA A 3 33.524 8.165 6.263 1.00 0.00 H new ATOM 0 HB3 ALA A 3 32.573 6.672 6.441 1.00 0.00 H new ATOM 39 N ASN A 4 29.632 8.031 5.267 1.00 0.00 N ATOM 40 CA ASN A 4 28.328 7.527 4.872 1.00 0.00 C ATOM 41 C ASN A 4 28.510 6.315 3.956 1.00 0.00 C ATOM 42 O ASN A 4 28.985 6.450 2.830 1.00 0.00 O ATOM 43 CB ASN A 4 27.537 8.587 4.102 1.00 0.00 C ATOM 44 CG ASN A 4 26.209 8.892 4.797 1.00 0.00 C ATOM 45 OD1 ASN A 4 25.526 8.015 5.300 1.00 0.00 O ATOM 46 ND2 ASN A 4 25.882 10.181 4.797 1.00 0.00 N ATOM 0 H ASN A 4 30.162 8.476 4.517 1.00 0.00 H new ATOM 0 HA ASN A 4 27.783 7.257 5.777 1.00 0.00 H new ATOM 0 HB2 ASN A 4 28.128 9.500 4.022 1.00 0.00 H new ATOM 0 HB3 ASN A 4 27.349 8.239 3.086 1.00 0.00 H new ATOM 0 HD21 ASN A 4 25.014 10.487 5.236 1.00 0.00 H new ATOM 0 HD22 ASN A 4 26.499 10.864 4.358 1.00 0.00 H new ATOM 53 N ARG A 5 28.123 5.158 4.475 1.00 0.00 N ATOM 54 CA ARG A 5 28.238 3.924 3.717 1.00 0.00 C ATOM 55 C ARG A 5 26.859 3.466 3.236 1.00 0.00 C ATOM 56 O ARG A 5 25.838 3.990 3.678 1.00 0.00 O ATOM 57 CB ARG A 5 28.868 2.816 4.563 1.00 0.00 C ATOM 58 CG ARG A 5 27.946 2.413 5.716 1.00 0.00 C ATOM 59 CD ARG A 5 28.743 2.179 7.000 1.00 0.00 C ATOM 60 NE ARG A 5 28.158 2.966 8.109 1.00 0.00 N ATOM 61 CZ ARG A 5 28.346 2.687 9.417 1.00 0.00 C ATOM 62 NH1 ARG A 5 29.107 1.636 9.791 1.00 0.00 N ATOM 63 NH2 ARG A 5 27.776 3.458 10.324 1.00 0.00 N ATOM 0 H ARG A 5 27.730 5.050 5.410 1.00 0.00 H new ATOM 0 HA ARG A 5 28.880 4.121 2.858 1.00 0.00 H new ATOM 0 HB2 ARG A 5 29.073 1.948 3.937 1.00 0.00 H new ATOM 0 HB3 ARG A 5 29.825 3.156 4.960 1.00 0.00 H new ATOM 0 HG2 ARG A 5 27.203 3.193 5.882 1.00 0.00 H new ATOM 0 HG3 ARG A 5 27.402 1.506 5.451 1.00 0.00 H new ATOM 0 HD2 ARG A 5 28.738 1.119 7.253 1.00 0.00 H new ATOM 0 HD3 ARG A 5 29.784 2.466 6.849 1.00 0.00 H new ATOM 0 HE ARG A 5 27.577 3.769 7.870 1.00 0.00 H new ATOM 0 HH11 ARG A 5 29.545 1.046 9.083 1.00 0.00 H new ATOM 0 HH12 ARG A 5 29.244 1.432 10.781 1.00 0.00 H new ATOM 0 HH21 ARG A 5 27.204 4.251 10.033 1.00 0.00 H new ATOM 0 HH22 ARG A 5 27.908 3.261 11.316 1.00 0.00 H new ATOM 77 N ARG A 6 26.875 2.494 2.335 1.00 0.00 N ATOM 78 CA ARG A 6 25.639 1.961 1.789 1.00 0.00 C ATOM 79 C ARG A 6 24.829 3.075 1.123 1.00 0.00 C ATOM 80 O ARG A 6 25.034 4.253 1.409 1.00 0.00 O ATOM 81 CB ARG A 6 24.791 1.306 2.882 1.00 0.00 C ATOM 82 CG ARG A 6 25.502 0.086 3.470 1.00 0.00 C ATOM 83 CD ARG A 6 25.055 -1.199 2.771 1.00 0.00 C ATOM 84 NE ARG A 6 25.182 -2.348 3.694 1.00 0.00 N ATOM 85 CZ ARG A 6 24.449 -2.501 4.818 1.00 0.00 C ATOM 86 NH1 ARG A 6 23.529 -1.576 5.167 1.00 0.00 N ATOM 87 NH2 ARG A 6 24.645 -3.567 5.570 1.00 0.00 N ATOM 0 H ARG A 6 27.724 2.062 1.970 1.00 0.00 H new ATOM 0 HA ARG A 6 25.902 1.206 1.048 1.00 0.00 H new ATOM 0 HB2 ARG A 6 24.588 2.029 3.672 1.00 0.00 H new ATOM 0 HB3 ARG A 6 23.828 1.006 2.469 1.00 0.00 H new ATOM 0 HG2 ARG A 6 26.581 0.204 3.366 1.00 0.00 H new ATOM 0 HG3 ARG A 6 25.290 0.016 4.537 1.00 0.00 H new ATOM 0 HD2 ARG A 6 24.021 -1.101 2.439 1.00 0.00 H new ATOM 0 HD3 ARG A 6 25.661 -1.368 1.881 1.00 0.00 H new ATOM 0 HE ARG A 6 25.866 -3.070 3.467 1.00 0.00 H new ATOM 0 HH11 ARG A 6 23.384 -0.755 4.580 1.00 0.00 H new ATOM 0 HH12 ARG A 6 22.979 -1.699 6.017 1.00 0.00 H new ATOM 0 HH21 ARG A 6 25.342 -4.261 5.299 1.00 0.00 H new ATOM 0 HH22 ARG A 6 24.100 -3.697 6.422 1.00 0.00 H new ATOM 101 N TRP A 7 23.925 2.662 0.246 1.00 0.00 N ATOM 102 CA TRP A 7 23.083 3.610 -0.463 1.00 0.00 C ATOM 103 C TRP A 7 21.861 2.855 -0.991 1.00 0.00 C ATOM 104 O TRP A 7 22.000 1.883 -1.732 1.00 0.00 O ATOM 105 CB TRP A 7 23.868 4.322 -1.567 1.00 0.00 C ATOM 106 CG TRP A 7 22.996 5.138 -2.523 1.00 0.00 C ATOM 107 CD1 TRP A 7 22.829 4.961 -3.841 1.00 0.00 C ATOM 108 CD2 TRP A 7 22.174 6.273 -2.181 1.00 0.00 C ATOM 109 NE1 TRP A 7 21.963 5.896 -4.371 1.00 0.00 N ATOM 110 CE2 TRP A 7 21.552 6.719 -3.329 1.00 0.00 C ATOM 111 CE3 TRP A 7 21.963 6.903 -0.941 1.00 0.00 C ATOM 112 CZ2 TRP A 7 20.678 7.813 -3.352 1.00 0.00 C ATOM 113 CZ3 TRP A 7 21.087 7.994 -0.981 1.00 0.00 C ATOM 114 CH2 TRP A 7 20.453 8.455 -2.129 1.00 0.00 C ATOM 0 H TRP A 7 23.758 1.684 0.011 1.00 0.00 H new ATOM 0 HA TRP A 7 22.742 4.399 0.207 1.00 0.00 H new ATOM 0 HB2 TRP A 7 24.603 4.983 -1.108 1.00 0.00 H new ATOM 0 HB3 TRP A 7 24.422 3.580 -2.141 1.00 0.00 H new ATOM 0 HD1 TRP A 7 23.311 4.184 -4.416 1.00 0.00 H new ATOM 0 HE1 TRP A 7 21.677 5.969 -5.347 1.00 0.00 H new ATOM 0 HE3 TRP A 7 22.439 6.571 -0.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 20.203 8.143 -4.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 20.890 8.514 -0.055 1.00 0.00 H new ATOM 0 HH2 TRP A 7 19.789 9.305 -2.077 1.00 0.00 H new ATOM 125 N TRP A 8 20.692 3.330 -0.588 1.00 0.00 N ATOM 126 CA TRP A 8 19.447 2.712 -1.011 1.00 0.00 C ATOM 127 C TRP A 8 19.482 2.573 -2.534 1.00 0.00 C ATOM 128 O TRP A 8 19.993 3.449 -3.230 1.00 0.00 O ATOM 129 CB TRP A 8 18.241 3.511 -0.512 1.00 0.00 C ATOM 130 CG TRP A 8 18.151 3.615 1.012 1.00 0.00 C ATOM 131 CD1 TRP A 8 18.861 4.406 1.828 1.00 0.00 C ATOM 132 CD2 TRP A 8 17.268 2.866 1.874 1.00 0.00 C ATOM 133 NE1 TRP A 8 18.502 4.223 3.148 1.00 0.00 N ATOM 134 CE2 TRP A 8 17.503 3.257 3.177 1.00 0.00 C ATOM 135 CE3 TRP A 8 16.304 1.892 1.564 1.00 0.00 C ATOM 136 CZ2 TRP A 8 16.813 2.725 4.273 1.00 0.00 C ATOM 137 CZ3 TRP A 8 15.623 1.370 2.670 1.00 0.00 C ATOM 138 CH2 TRP A 8 15.847 1.752 3.987 1.00 0.00 C ATOM 0 H TRP A 8 20.581 4.136 0.027 1.00 0.00 H new ATOM 0 HA TRP A 8 19.341 1.720 -0.573 1.00 0.00 H new ATOM 0 HB2 TRP A 8 18.285 4.516 -0.933 1.00 0.00 H new ATOM 0 HB3 TRP A 8 17.330 3.047 -0.889 1.00 0.00 H new ATOM 0 HD1 TRP A 8 19.619 5.099 1.495 1.00 0.00 H new ATOM 0 HE1 TRP A 8 18.897 4.707 3.954 1.00 0.00 H new ATOM 0 HE3 TRP A 8 16.104 1.571 0.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 17.015 3.047 5.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 14.870 0.617 2.487 1.00 0.00 H new ATOM 0 HH2 TRP A 8 15.279 1.301 4.787 1.00 0.00 H new ATOM 149 N VAL A 9 18.932 1.464 -3.008 1.00 0.00 N ATOM 150 CA VAL A 9 18.894 1.198 -4.436 1.00 0.00 C ATOM 151 C VAL A 9 18.005 2.238 -5.120 1.00 0.00 C ATOM 152 O VAL A 9 17.107 2.800 -4.495 1.00 0.00 O ATOM 153 CB VAL A 9 18.436 -0.239 -4.688 1.00 0.00 C ATOM 154 CG1 VAL A 9 19.370 -1.241 -4.007 1.00 0.00 C ATOM 155 CG2 VAL A 9 16.989 -0.441 -4.233 1.00 0.00 C ATOM 0 H VAL A 9 18.509 0.739 -2.428 1.00 0.00 H new ATOM 0 HA VAL A 9 19.891 1.288 -4.868 1.00 0.00 H new ATOM 0 HB VAL A 9 18.478 -0.420 -5.762 1.00 0.00 H new ATOM 0 HG11 VAL A 9 19.021 -2.255 -4.203 1.00 0.00 H new ATOM 0 HG12 VAL A 9 20.380 -1.123 -4.400 1.00 0.00 H new ATOM 0 HG13 VAL A 9 19.376 -1.060 -2.932 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.688 -1.471 -4.423 1.00 0.00 H new ATOM 0 HG22 VAL A 9 16.910 -0.231 -3.166 1.00 0.00 H new ATOM 0 HG23 VAL A 9 16.336 0.235 -4.785 1.00 0.00 H new ATOM 165 N PRO A 10 18.294 2.470 -6.429 1.00 0.00 N ATOM 166 CA PRO A 10 17.532 3.432 -7.205 1.00 0.00 C ATOM 167 C PRO A 10 16.155 2.874 -7.572 1.00 0.00 C ATOM 168 O PRO A 10 15.988 1.662 -7.705 1.00 0.00 O ATOM 169 CB PRO A 10 18.395 3.730 -8.420 1.00 0.00 C ATOM 170 CG PRO A 10 19.389 2.585 -8.516 1.00 0.00 C ATOM 171 CD PRO A 10 19.351 1.823 -7.202 1.00 0.00 C ATOM 0 HA PRO A 10 17.320 4.346 -6.650 1.00 0.00 H new ATOM 0 HB2 PRO A 10 17.788 3.797 -9.323 1.00 0.00 H new ATOM 0 HB3 PRO A 10 18.909 4.685 -8.309 1.00 0.00 H new ATOM 0 HG2 PRO A 10 19.134 1.927 -9.346 1.00 0.00 H new ATOM 0 HG3 PRO A 10 20.392 2.966 -8.708 1.00 0.00 H new ATOM 0 HD2 PRO A 10 19.134 0.767 -7.363 1.00 0.00 H new ATOM 0 HD3 PRO A 10 20.309 1.877 -6.685 1.00 0.00 H new ATOM 179 N PRO A 11 15.179 3.808 -7.729 1.00 0.00 N ATOM 180 CA PRO A 11 13.823 3.421 -8.077 1.00 0.00 C ATOM 181 C PRO A 11 13.727 3.024 -9.552 1.00 0.00 C ATOM 182 O PRO A 11 14.481 3.528 -10.384 1.00 0.00 O ATOM 183 CB PRO A 11 12.968 4.629 -7.731 1.00 0.00 C ATOM 184 CG PRO A 11 13.926 5.805 -7.640 1.00 0.00 C ATOM 185 CD PRO A 11 15.340 5.251 -7.578 1.00 0.00 C ATOM 0 HA PRO A 11 13.484 2.540 -7.532 1.00 0.00 H new ATOM 0 HB2 PRO A 11 12.209 4.802 -8.494 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.443 4.479 -6.788 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.810 6.459 -8.504 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.712 6.404 -6.755 1.00 0.00 H new ATOM 0 HD2 PRO A 11 15.963 5.665 -8.371 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.821 5.499 -6.632 1.00 0.00 H new ATOM 193 N ASP A 12 12.795 2.125 -9.831 1.00 0.00 N ATOM 194 CA ASP A 12 12.592 1.654 -11.190 1.00 0.00 C ATOM 195 C ASP A 12 11.377 2.362 -11.794 1.00 0.00 C ATOM 196 O ASP A 12 11.525 3.282 -12.597 1.00 0.00 O ATOM 197 CB ASP A 12 12.324 0.148 -11.218 1.00 0.00 C ATOM 198 CG ASP A 12 13.439 -0.695 -11.839 1.00 0.00 C ATOM 199 OD1 ASP A 12 14.465 -0.165 -12.292 1.00 0.00 O ATOM 200 OD2 ASP A 12 13.220 -1.967 -11.848 1.00 0.00 O ATOM 0 H ASP A 12 12.172 1.710 -9.138 1.00 0.00 H new ATOM 0 HA ASP A 12 13.496 1.869 -11.760 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.155 -0.195 -10.197 1.00 0.00 H new ATOM 0 HB3 ASP A 12 11.402 -0.032 -11.771 1.00 0.00 H new ATOM 205 N ASP A 13 10.203 1.906 -11.384 1.00 0.00 N ATOM 206 CA ASP A 13 8.963 2.483 -11.874 1.00 0.00 C ATOM 207 C ASP A 13 7.789 1.911 -11.077 1.00 0.00 C ATOM 208 O ASP A 13 7.120 2.636 -10.342 1.00 0.00 O ATOM 209 CB ASP A 13 8.743 2.144 -13.350 1.00 0.00 C ATOM 210 CG ASP A 13 7.962 3.193 -14.144 1.00 0.00 C ATOM 211 OD1 ASP A 13 7.027 3.821 -13.626 1.00 0.00 O ATOM 212 OD2 ASP A 13 8.354 3.357 -15.362 1.00 0.00 O ATOM 0 H ASP A 13 10.084 1.143 -10.718 1.00 0.00 H new ATOM 0 HA ASP A 13 9.026 3.565 -11.758 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.714 2.001 -13.823 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.214 1.193 -13.414 1.00 0.00 H new ATOM 217 N GLU A 14 7.573 0.615 -11.250 1.00 0.00 N ATOM 218 CA GLU A 14 6.491 -0.063 -10.557 1.00 0.00 C ATOM 219 C GLU A 14 6.615 -1.578 -10.732 1.00 0.00 C ATOM 220 O GLU A 14 5.998 -2.155 -11.626 1.00 0.00 O ATOM 221 CB GLU A 14 5.130 0.436 -11.044 1.00 0.00 C ATOM 222 CG GLU A 14 4.140 0.552 -9.882 1.00 0.00 C ATOM 223 CD GLU A 14 2.979 1.481 -10.241 1.00 0.00 C ATOM 224 OE1 GLU A 14 3.103 2.708 -10.108 1.00 0.00 O ATOM 225 OE2 GLU A 14 1.919 0.888 -10.674 1.00 0.00 O ATOM 0 H GLU A 14 8.129 0.017 -11.860 1.00 0.00 H new ATOM 0 HA GLU A 14 6.566 0.167 -9.494 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.246 1.407 -11.526 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.736 -0.248 -11.796 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.755 -0.436 -9.628 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.654 0.931 -8.998 1.00 0.00 H new ATOM 232 N ASP A 15 7.417 -2.178 -9.865 1.00 0.00 N ATOM 233 CA ASP A 15 7.629 -3.615 -9.914 1.00 0.00 C ATOM 234 C ASP A 15 6.382 -4.329 -9.390 1.00 0.00 C ATOM 235 O ASP A 15 5.659 -3.790 -8.552 1.00 0.00 O ATOM 236 CB ASP A 15 8.813 -4.027 -9.036 1.00 0.00 C ATOM 237 CG ASP A 15 10.048 -4.508 -9.801 1.00 0.00 C ATOM 238 OD1 ASP A 15 10.107 -5.658 -10.259 1.00 0.00 O ATOM 239 OD2 ASP A 15 10.990 -3.635 -9.920 1.00 0.00 O ATOM 0 H ASP A 15 7.928 -1.696 -9.125 1.00 0.00 H new ATOM 0 HA ASP A 15 7.833 -3.890 -10.949 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.097 -3.178 -8.414 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.488 -4.821 -8.363 1.00 0.00 H new ATOM 244 N CYS A 16 6.166 -5.531 -9.904 1.00 0.00 N ATOM 245 CA CYS A 16 5.018 -6.323 -9.498 1.00 0.00 C ATOM 246 C CYS A 16 5.416 -7.155 -8.277 1.00 0.00 C ATOM 247 O CYS A 16 4.842 -6.997 -7.200 1.00 0.00 O ATOM 248 CB CYS A 16 4.503 -7.200 -10.642 1.00 0.00 C ATOM 249 SG CYS A 16 2.677 -7.112 -10.723 1.00 0.00 S ATOM 0 H CYS A 16 6.767 -5.975 -10.598 1.00 0.00 H new ATOM 0 HA CYS A 16 4.192 -5.662 -9.233 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.934 -6.869 -11.587 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.819 -8.232 -10.491 1.00 0.00 H new ATOM 0 HG CYS A 16 2.249 -7.858 -11.698 1.00 0.00 H new ATOM 255 N VAL A 17 6.396 -8.022 -8.485 1.00 0.00 N ATOM 256 CA VAL A 17 6.877 -8.878 -7.414 1.00 0.00 C ATOM 257 C VAL A 17 8.402 -8.784 -7.338 1.00 0.00 C ATOM 258 O VAL A 17 8.949 -8.290 -6.354 1.00 0.00 O ATOM 259 CB VAL A 17 6.376 -10.309 -7.623 1.00 0.00 C ATOM 260 CG1 VAL A 17 6.869 -11.231 -6.506 1.00 0.00 C ATOM 261 CG2 VAL A 17 4.851 -10.345 -7.732 1.00 0.00 C ATOM 0 H VAL A 17 6.870 -8.150 -9.379 1.00 0.00 H new ATOM 0 HA VAL A 17 6.482 -8.546 -6.454 1.00 0.00 H new ATOM 0 HB VAL A 17 6.787 -10.674 -8.564 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.499 -12.242 -6.678 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.959 -11.240 -6.496 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.501 -10.869 -5.546 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.521 -11.373 -7.880 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.411 -9.951 -6.816 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.532 -9.736 -8.578 1.00 0.00 H new ATOM 271 N SER A 18 9.046 -9.266 -8.391 1.00 0.00 N ATOM 272 CA SER A 18 10.498 -9.243 -8.456 1.00 0.00 C ATOM 273 C SER A 18 11.087 -9.979 -7.252 1.00 0.00 C ATOM 274 O SER A 18 10.355 -10.401 -6.358 1.00 0.00 O ATOM 275 CB SER A 18 11.023 -7.807 -8.510 1.00 0.00 C ATOM 276 OG SER A 18 11.912 -7.605 -9.605 1.00 0.00 O ATOM 0 H SER A 18 8.589 -9.675 -9.206 1.00 0.00 H new ATOM 0 HA SER A 18 10.808 -9.749 -9.370 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.183 -7.117 -8.592 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.537 -7.574 -7.578 1.00 0.00 H new ATOM 0 HG SER A 18 11.574 -6.880 -10.171 1.00 0.00 H new ATOM 282 N GLU A 19 12.406 -10.111 -7.267 1.00 0.00 N ATOM 283 CA GLU A 19 13.102 -10.790 -6.187 1.00 0.00 C ATOM 284 C GLU A 19 12.867 -10.060 -4.863 1.00 0.00 C ATOM 285 O GLU A 19 12.965 -10.660 -3.793 1.00 0.00 O ATOM 286 CB GLU A 19 14.597 -10.910 -6.489 1.00 0.00 C ATOM 287 CG GLU A 19 15.065 -12.362 -6.372 1.00 0.00 C ATOM 288 CD GLU A 19 16.412 -12.448 -5.650 1.00 0.00 C ATOM 289 OE1 GLU A 19 16.428 -11.941 -4.464 1.00 0.00 O ATOM 290 OE2 GLU A 19 17.383 -12.975 -6.212 1.00 0.00 O ATOM 0 H GLU A 19 13.010 -9.759 -8.010 1.00 0.00 H new ATOM 0 HA GLU A 19 12.700 -11.799 -6.099 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.800 -10.539 -7.494 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.163 -10.285 -5.798 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.320 -12.945 -5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.152 -12.801 -7.366 1.00 0.00 H new ATOM 297 N LYS A 20 12.562 -8.776 -4.978 1.00 0.00 N ATOM 298 CA LYS A 20 12.312 -7.958 -3.803 1.00 0.00 C ATOM 299 C LYS A 20 11.074 -8.484 -3.074 1.00 0.00 C ATOM 300 O LYS A 20 11.175 -8.985 -1.955 1.00 0.00 O ATOM 301 CB LYS A 20 12.217 -6.480 -4.189 1.00 0.00 C ATOM 302 CG LYS A 20 12.735 -5.584 -3.062 1.00 0.00 C ATOM 303 CD LYS A 20 12.705 -4.111 -3.475 1.00 0.00 C ATOM 304 CE LYS A 20 11.285 -3.549 -3.397 1.00 0.00 C ATOM 305 NZ LYS A 20 10.957 -3.160 -2.007 1.00 0.00 N ATOM 0 H LYS A 20 12.482 -8.282 -5.867 1.00 0.00 H new ATOM 0 HA LYS A 20 13.147 -8.028 -3.106 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.794 -6.300 -5.096 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.181 -6.225 -4.414 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.126 -5.728 -2.169 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.754 -5.872 -2.803 1.00 0.00 H new ATOM 0 HD2 LYS A 20 13.364 -3.534 -2.826 1.00 0.00 H new ATOM 0 HD3 LYS A 20 13.086 -4.007 -4.491 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.193 -2.684 -4.054 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.573 -4.295 -3.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.989 -2.780 -1.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.025 -3.993 -1.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.626 -2.433 -1.683 1.00 0.00 H new ATOM 319 N LEU A 21 9.935 -8.352 -3.738 1.00 0.00 N ATOM 320 CA LEU A 21 8.679 -8.808 -3.167 1.00 0.00 C ATOM 321 C LEU A 21 8.814 -10.276 -2.756 1.00 0.00 C ATOM 322 O LEU A 21 8.433 -10.651 -1.648 1.00 0.00 O ATOM 323 CB LEU A 21 7.524 -8.545 -4.135 1.00 0.00 C ATOM 324 CG LEU A 21 6.127 -8.490 -3.513 1.00 0.00 C ATOM 325 CD1 LEU A 21 5.298 -7.359 -4.124 1.00 0.00 C ATOM 326 CD2 LEU A 21 5.423 -9.844 -3.628 1.00 0.00 C ATOM 0 H LEU A 21 9.856 -7.936 -4.666 1.00 0.00 H new ATOM 0 HA LEU A 21 8.444 -8.244 -2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.711 -7.599 -4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.530 -9.324 -4.897 1.00 0.00 H new ATOM 0 HG LEU A 21 6.234 -8.271 -2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.310 -7.343 -3.664 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.796 -6.406 -3.947 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.196 -7.521 -5.197 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.432 -9.778 -3.179 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.327 -10.116 -4.679 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.007 -10.603 -3.108 1.00 0.00 H new ATOM 338 N LEU A 22 9.357 -11.066 -3.670 1.00 0.00 N ATOM 339 CA LEU A 22 9.547 -12.484 -3.416 1.00 0.00 C ATOM 340 C LEU A 22 10.115 -12.674 -2.009 1.00 0.00 C ATOM 341 O LEU A 22 9.493 -13.319 -1.166 1.00 0.00 O ATOM 342 CB LEU A 22 10.404 -13.115 -4.516 1.00 0.00 C ATOM 343 CG LEU A 22 10.414 -14.645 -4.563 1.00 0.00 C ATOM 344 CD1 LEU A 22 10.548 -15.236 -3.159 1.00 0.00 C ATOM 345 CD2 LEU A 22 9.181 -15.178 -5.295 1.00 0.00 C ATOM 0 H LEU A 22 9.672 -10.751 -4.588 1.00 0.00 H new ATOM 0 HA LEU A 22 8.592 -13.008 -3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.055 -12.744 -5.479 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.430 -12.768 -4.394 1.00 0.00 H new ATOM 0 HG LEU A 22 11.288 -14.964 -5.130 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.552 -16.324 -3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.480 -14.895 -2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.707 -14.911 -2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.212 -16.267 -5.315 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.280 -14.850 -4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.171 -14.797 -6.316 1.00 0.00 H new ATOM 357 N ARG A 23 11.291 -12.101 -1.797 1.00 0.00 N ATOM 358 CA ARG A 23 11.950 -12.200 -0.506 1.00 0.00 C ATOM 359 C ARG A 23 11.009 -11.736 0.607 1.00 0.00 C ATOM 360 O ARG A 23 10.932 -12.363 1.662 1.00 0.00 O ATOM 361 CB ARG A 23 13.225 -11.354 -0.472 1.00 0.00 C ATOM 362 CG ARG A 23 14.421 -12.183 -0.001 1.00 0.00 C ATOM 363 CD ARG A 23 14.945 -11.676 1.343 1.00 0.00 C ATOM 364 NE ARG A 23 15.467 -12.807 2.143 1.00 0.00 N ATOM 365 CZ ARG A 23 16.396 -12.682 3.114 1.00 0.00 C ATOM 366 NH1 ARG A 23 16.914 -11.472 3.416 1.00 0.00 N ATOM 367 NH2 ARG A 23 16.789 -13.761 3.765 1.00 0.00 N ATOM 0 H ARG A 23 11.804 -11.567 -2.498 1.00 0.00 H new ATOM 0 HA ARG A 23 12.217 -13.245 -0.349 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.425 -10.952 -1.465 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.083 -10.503 0.194 1.00 0.00 H new ATOM 0 HG2 ARG A 23 14.129 -13.229 0.090 1.00 0.00 H new ATOM 0 HG3 ARG A 23 15.216 -12.137 -0.746 1.00 0.00 H new ATOM 0 HD2 ARG A 23 15.733 -10.940 1.181 1.00 0.00 H new ATOM 0 HD3 ARG A 23 14.146 -11.173 1.888 1.00 0.00 H new ATOM 0 HE ARG A 23 15.102 -13.739 1.948 1.00 0.00 H new ATOM 0 HH11 ARG A 23 16.604 -10.643 2.909 1.00 0.00 H new ATOM 0 HH12 ARG A 23 17.616 -11.387 4.151 1.00 0.00 H new ATOM 0 HH21 ARG A 23 16.391 -14.671 3.531 1.00 0.00 H new ATOM 0 HH22 ARG A 23 17.490 -13.685 4.502 1.00 0.00 H new ATOM 381 N LYS A 24 10.315 -10.640 0.334 1.00 0.00 N ATOM 382 CA LYS A 24 9.382 -10.085 1.299 1.00 0.00 C ATOM 383 C LYS A 24 8.415 -11.180 1.756 1.00 0.00 C ATOM 384 O LYS A 24 8.121 -11.297 2.944 1.00 0.00 O ATOM 385 CB LYS A 24 8.685 -8.851 0.722 1.00 0.00 C ATOM 386 CG LYS A 24 8.535 -7.759 1.783 1.00 0.00 C ATOM 387 CD LYS A 24 7.171 -7.848 2.472 1.00 0.00 C ATOM 388 CE LYS A 24 7.313 -8.374 3.901 1.00 0.00 C ATOM 389 NZ LYS A 24 7.158 -7.272 4.877 1.00 0.00 N ATOM 0 H LYS A 24 10.381 -10.122 -0.542 1.00 0.00 H new ATOM 0 HA LYS A 24 9.913 -9.738 2.185 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.258 -8.467 -0.122 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.703 -9.129 0.340 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.328 -7.856 2.524 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.649 -6.779 1.320 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.702 -6.864 2.488 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.514 -8.505 1.902 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.562 -9.142 4.088 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.288 -8.844 4.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.257 -7.647 5.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.890 -6.553 4.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.218 -6.841 4.768 1.00 0.00 H new ATOM 403 N THR A 25 7.948 -11.954 0.787 1.00 0.00 N ATOM 404 CA THR A 25 7.021 -13.035 1.075 1.00 0.00 C ATOM 405 C THR A 25 7.692 -14.093 1.954 1.00 0.00 C ATOM 406 O THR A 25 8.907 -14.274 1.895 1.00 0.00 O ATOM 407 CB THR A 25 6.510 -13.587 -0.257 1.00 0.00 C ATOM 408 OG1 THR A 25 5.809 -12.492 -0.841 1.00 0.00 O ATOM 409 CG2 THR A 25 5.436 -14.661 -0.073 1.00 0.00 C ATOM 0 H THR A 25 8.194 -11.854 -0.198 1.00 0.00 H new ATOM 0 HA THR A 25 6.164 -12.679 1.646 1.00 0.00 H new ATOM 0 HB THR A 25 7.345 -14.002 -0.822 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.446 -12.762 -1.710 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.108 -15.019 -1.049 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.847 -15.493 0.499 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.586 -14.238 0.463 1.00 0.00 H new ATOM 417 N ARG A 26 6.870 -14.763 2.748 1.00 0.00 N ATOM 418 CA ARG A 26 7.368 -15.798 3.638 1.00 0.00 C ATOM 419 C ARG A 26 6.203 -16.575 4.254 1.00 0.00 C ATOM 420 O ARG A 26 5.770 -16.275 5.365 1.00 0.00 O ATOM 421 CB ARG A 26 8.220 -15.198 4.758 1.00 0.00 C ATOM 422 CG ARG A 26 9.236 -16.216 5.280 1.00 0.00 C ATOM 423 CD ARG A 26 9.217 -16.275 6.809 1.00 0.00 C ATOM 424 NE ARG A 26 10.174 -17.299 7.288 1.00 0.00 N ATOM 425 CZ ARG A 26 10.097 -17.901 8.493 1.00 0.00 C ATOM 426 NH1 ARG A 26 9.105 -17.587 9.354 1.00 0.00 N ATOM 427 NH2 ARG A 26 11.006 -18.802 8.818 1.00 0.00 N ATOM 0 H ARG A 26 5.863 -14.609 2.794 1.00 0.00 H new ATOM 0 HA ARG A 26 7.987 -16.473 3.047 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.742 -14.315 4.389 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.576 -14.871 5.574 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.012 -17.201 4.872 1.00 0.00 H new ATOM 0 HG3 ARG A 26 10.235 -15.948 4.935 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.477 -15.300 7.222 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.212 -16.512 7.160 1.00 0.00 H new ATOM 0 HE ARG A 26 10.939 -17.566 6.668 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.407 -16.890 9.095 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.054 -18.047 10.263 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.752 -19.034 8.162 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.962 -19.266 9.725 1.00 0.00 H new ATOM 441 N GLU A 27 5.729 -17.560 3.505 1.00 0.00 N ATOM 442 CA GLU A 27 4.622 -18.382 3.963 1.00 0.00 C ATOM 443 C GLU A 27 3.536 -17.508 4.593 1.00 0.00 C ATOM 444 O GLU A 27 3.511 -16.296 4.383 1.00 0.00 O ATOM 445 CB GLU A 27 5.103 -19.451 4.945 1.00 0.00 C ATOM 446 CG GLU A 27 4.684 -20.849 4.484 1.00 0.00 C ATOM 447 CD GLU A 27 4.244 -21.709 5.671 1.00 0.00 C ATOM 448 OE1 GLU A 27 3.249 -21.385 6.336 1.00 0.00 O ATOM 449 OE2 GLU A 27 4.977 -22.747 5.893 1.00 0.00 O ATOM 0 H GLU A 27 6.091 -17.807 2.584 1.00 0.00 H new ATOM 0 HA GLU A 27 4.194 -18.893 3.101 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.188 -19.404 5.036 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.692 -19.252 5.935 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.868 -20.770 3.766 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.516 -21.331 3.970 1.00 0.00 H new ATOM 456 N SER A 28 2.665 -18.156 5.351 1.00 0.00 N ATOM 457 CA SER A 28 1.579 -17.453 6.013 1.00 0.00 C ATOM 458 C SER A 28 0.645 -16.834 4.971 1.00 0.00 C ATOM 459 O SER A 28 1.103 -16.245 3.994 1.00 0.00 O ATOM 460 CB SER A 28 2.116 -16.372 6.954 1.00 0.00 C ATOM 461 OG SER A 28 2.013 -16.757 8.322 1.00 0.00 O ATOM 0 H SER A 28 2.689 -19.161 5.522 1.00 0.00 H new ATOM 0 HA SER A 28 1.020 -18.172 6.611 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.159 -16.166 6.713 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.564 -15.446 6.795 1.00 0.00 H new ATOM 0 HG SER A 28 2.367 -16.042 8.891 1.00 0.00 H new ATOM 467 N PRO A 29 -0.682 -16.993 5.223 1.00 0.00 N ATOM 468 CA PRO A 29 -1.685 -16.456 4.318 1.00 0.00 C ATOM 469 C PRO A 29 -1.803 -14.939 4.469 1.00 0.00 C ATOM 470 O PRO A 29 -0.996 -14.315 5.157 1.00 0.00 O ATOM 471 CB PRO A 29 -2.968 -17.190 4.673 1.00 0.00 C ATOM 472 CG PRO A 29 -2.747 -17.767 6.062 1.00 0.00 C ATOM 473 CD PRO A 29 -1.261 -17.685 6.370 1.00 0.00 C ATOM 0 HA PRO A 29 -1.431 -16.610 3.269 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -3.821 -16.512 4.663 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -3.179 -17.979 3.951 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -3.322 -17.210 6.802 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -3.089 -18.801 6.105 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.078 -17.139 7.295 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.827 -18.677 6.494 1.00 0.00 H new ATOM 481 N LEU A 30 -2.815 -14.388 3.814 1.00 0.00 N ATOM 482 CA LEU A 30 -3.049 -12.955 3.867 1.00 0.00 C ATOM 483 C LEU A 30 -4.164 -12.661 4.872 1.00 0.00 C ATOM 484 O LEU A 30 -4.300 -11.533 5.342 1.00 0.00 O ATOM 485 CB LEU A 30 -3.323 -12.405 2.465 1.00 0.00 C ATOM 486 CG LEU A 30 -2.140 -11.735 1.764 1.00 0.00 C ATOM 487 CD1 LEU A 30 -1.695 -10.481 2.518 1.00 0.00 C ATOM 488 CD2 LEU A 30 -0.989 -12.724 1.566 1.00 0.00 C ATOM 0 H LEU A 30 -3.482 -14.908 3.244 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.158 -12.436 4.219 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.675 -13.224 1.838 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.136 -11.683 2.532 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.465 -11.416 0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.853 -10.024 1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.521 -9.772 2.564 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.393 -10.753 3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.161 -12.223 1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.657 -13.094 2.536 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.329 -13.560 0.955 1.00 0.00 H new ATOM 500 N VAL A 31 -4.935 -13.697 5.172 1.00 0.00 N ATOM 501 CA VAL A 31 -6.034 -13.564 6.113 1.00 0.00 C ATOM 502 C VAL A 31 -5.554 -12.798 7.347 1.00 0.00 C ATOM 503 O VAL A 31 -6.198 -11.844 7.779 1.00 0.00 O ATOM 504 CB VAL A 31 -6.604 -14.943 6.449 1.00 0.00 C ATOM 505 CG1 VAL A 31 -6.924 -15.054 7.942 1.00 0.00 C ATOM 506 CG2 VAL A 31 -7.839 -15.248 5.600 1.00 0.00 C ATOM 0 H VAL A 31 -4.820 -14.632 4.780 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.848 -12.989 5.671 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.843 -15.687 6.212 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.328 -16.044 8.155 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.014 -14.901 8.522 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.659 -14.296 8.214 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -8.224 -16.234 5.859 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -8.606 -14.497 5.791 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.568 -15.230 4.544 1.00 0.00 H new ATOM 516 N PRO A 32 -4.396 -13.256 7.893 1.00 0.00 N ATOM 517 CA PRO A 32 -3.821 -12.624 9.069 1.00 0.00 C ATOM 518 C PRO A 32 -3.164 -11.290 8.709 1.00 0.00 C ATOM 519 O PRO A 32 -3.749 -10.229 8.922 1.00 0.00 O ATOM 520 CB PRO A 32 -2.836 -13.642 9.620 1.00 0.00 C ATOM 521 CG PRO A 32 -2.553 -14.608 8.481 1.00 0.00 C ATOM 522 CD PRO A 32 -3.605 -14.383 7.407 1.00 0.00 C ATOM 0 HA PRO A 32 -4.570 -12.368 9.818 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.920 -13.156 9.957 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.255 -14.164 10.480 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.554 -14.441 8.078 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.585 -15.638 8.837 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -3.146 -14.159 6.444 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.223 -15.270 7.267 1.00 0.00 H new ATOM 530 N ILE A 33 -1.958 -11.387 8.169 1.00 0.00 N ATOM 531 CA ILE A 33 -1.216 -10.201 7.778 1.00 0.00 C ATOM 532 C ILE A 33 -2.182 -9.170 7.192 1.00 0.00 C ATOM 533 O ILE A 33 -1.974 -7.966 7.338 1.00 0.00 O ATOM 534 CB ILE A 33 -0.069 -10.574 6.836 1.00 0.00 C ATOM 535 CG1 ILE A 33 0.916 -11.524 7.520 1.00 0.00 C ATOM 536 CG2 ILE A 33 0.624 -9.322 6.294 1.00 0.00 C ATOM 537 CD1 ILE A 33 1.137 -12.783 6.680 1.00 0.00 C ATOM 0 H ILE A 33 -1.476 -12.269 7.993 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.748 -9.741 8.648 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.488 -11.106 5.982 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.867 -11.016 7.677 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.536 -11.801 8.504 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.435 -9.615 5.627 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.097 -8.716 5.744 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.028 -8.742 7.124 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.841 -13.441 7.189 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.188 -13.302 6.545 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.540 -12.505 5.706 1.00 0.00 H new ATOM 549 N GLY A 34 -3.218 -9.679 6.542 1.00 0.00 N ATOM 550 CA GLY A 34 -4.217 -8.817 5.934 1.00 0.00 C ATOM 551 C GLY A 34 -5.062 -8.119 7.002 1.00 0.00 C ATOM 552 O GLY A 34 -5.188 -6.895 6.997 1.00 0.00 O ATOM 0 H GLY A 34 -3.387 -10.678 6.423 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.727 -8.071 5.308 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.862 -9.406 5.282 1.00 0.00 H new ATOM 556 N LEU A 35 -5.620 -8.927 7.891 1.00 0.00 N ATOM 557 CA LEU A 35 -6.449 -8.402 8.963 1.00 0.00 C ATOM 558 C LEU A 35 -5.696 -7.282 9.683 1.00 0.00 C ATOM 559 O LEU A 35 -6.280 -6.253 10.019 1.00 0.00 O ATOM 560 CB LEU A 35 -6.905 -9.531 9.889 1.00 0.00 C ATOM 561 CG LEU A 35 -8.279 -9.353 10.538 1.00 0.00 C ATOM 562 CD1 LEU A 35 -9.343 -10.170 9.802 1.00 0.00 C ATOM 563 CD2 LEU A 35 -8.230 -9.689 12.030 1.00 0.00 C ATOM 0 H LEU A 35 -5.514 -9.942 7.891 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.362 -7.964 8.559 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.912 -10.461 9.320 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.164 -9.647 10.680 1.00 0.00 H new ATOM 0 HG LEU A 35 -8.562 -8.304 10.454 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -10.310 -10.026 10.284 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.401 -9.841 8.765 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.076 -11.226 9.833 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.220 -9.554 12.466 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.915 -10.724 12.160 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.521 -9.028 12.529 1.00 0.00 H new ATOM 575 N GLY A 36 -4.410 -7.519 9.897 1.00 0.00 N ATOM 576 CA GLY A 36 -3.571 -6.543 10.571 1.00 0.00 C ATOM 577 C GLY A 36 -3.458 -5.257 9.750 1.00 0.00 C ATOM 578 O GLY A 36 -3.990 -4.219 10.139 1.00 0.00 O ATOM 0 H GLY A 36 -3.929 -8.373 9.615 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.987 -6.317 11.553 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.578 -6.963 10.735 1.00 0.00 H new ATOM 582 N GLY A 37 -2.761 -5.369 8.628 1.00 0.00 N ATOM 583 CA GLY A 37 -2.571 -4.229 7.748 1.00 0.00 C ATOM 584 C GLY A 37 -3.910 -3.568 7.410 1.00 0.00 C ATOM 585 O GLY A 37 -3.947 -2.411 6.996 1.00 0.00 O ATOM 0 H GLY A 37 -2.321 -6.232 8.309 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.913 -3.503 8.225 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.079 -4.551 6.831 1.00 0.00 H new ATOM 589 N CYS A 38 -4.975 -4.333 7.599 1.00 0.00 N ATOM 590 CA CYS A 38 -6.312 -3.836 7.319 1.00 0.00 C ATOM 591 C CYS A 38 -6.708 -2.868 8.436 1.00 0.00 C ATOM 592 O CYS A 38 -6.801 -1.662 8.213 1.00 0.00 O ATOM 593 CB CYS A 38 -7.319 -4.978 7.170 1.00 0.00 C ATOM 594 SG CYS A 38 -7.423 -5.495 5.417 1.00 0.00 S ATOM 0 H CYS A 38 -4.940 -5.293 7.942 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.315 -3.309 6.365 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.018 -5.823 7.790 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.300 -4.658 7.522 1.00 0.00 H new ATOM 0 HG CYS A 38 -6.476 -6.348 5.159 1.00 0.00 H new ATOM 600 N LEU A 39 -6.931 -3.433 9.614 1.00 0.00 N ATOM 601 CA LEU A 39 -7.315 -2.635 10.765 1.00 0.00 C ATOM 602 C LEU A 39 -6.482 -1.352 10.793 1.00 0.00 C ATOM 603 O LEU A 39 -6.987 -0.286 11.142 1.00 0.00 O ATOM 604 CB LEU A 39 -7.214 -3.462 12.049 1.00 0.00 C ATOM 605 CG LEU A 39 -8.144 -3.047 13.190 1.00 0.00 C ATOM 606 CD1 LEU A 39 -8.480 -4.241 14.085 1.00 0.00 C ATOM 607 CD2 LEU A 39 -7.551 -1.882 13.985 1.00 0.00 C ATOM 0 H LEU A 39 -6.853 -4.434 9.795 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.360 -2.335 10.688 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.417 -4.504 11.803 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.186 -3.413 12.409 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.081 -2.696 12.757 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.143 -3.919 14.888 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.975 -5.011 13.493 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.562 -4.645 14.512 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.232 -1.607 14.790 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.592 -2.181 14.408 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.406 -1.027 13.324 1.00 0.00 H new ATOM 619 N VAL A 40 -5.219 -1.497 10.419 1.00 0.00 N ATOM 620 CA VAL A 40 -4.310 -0.363 10.397 1.00 0.00 C ATOM 621 C VAL A 40 -4.747 0.613 9.303 1.00 0.00 C ATOM 622 O VAL A 40 -5.092 1.758 9.589 1.00 0.00 O ATOM 623 CB VAL A 40 -2.870 -0.850 10.223 1.00 0.00 C ATOM 624 CG1 VAL A 40 -1.926 0.320 9.942 1.00 0.00 C ATOM 625 CG2 VAL A 40 -2.409 -1.645 11.447 1.00 0.00 C ATOM 0 H VAL A 40 -4.804 -2.382 10.129 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.345 0.174 11.345 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.843 -1.516 9.361 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.909 -0.054 9.822 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.236 0.826 9.028 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.959 1.022 10.775 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.382 -1.980 11.298 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.459 -1.011 12.332 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.057 -2.511 11.583 1.00 0.00 H new ATOM 635 N VAL A 41 -4.717 0.124 8.071 1.00 0.00 N ATOM 636 CA VAL A 41 -5.105 0.939 6.933 1.00 0.00 C ATOM 637 C VAL A 41 -6.450 1.608 7.225 1.00 0.00 C ATOM 638 O VAL A 41 -6.525 2.828 7.355 1.00 0.00 O ATOM 639 CB VAL A 41 -5.125 0.087 5.662 1.00 0.00 C ATOM 640 CG1 VAL A 41 -6.083 0.674 4.623 1.00 0.00 C ATOM 641 CG2 VAL A 41 -3.717 -0.067 5.084 1.00 0.00 C ATOM 0 H VAL A 41 -4.430 -0.826 7.837 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.377 1.732 6.765 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.488 -0.905 5.929 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.078 0.049 3.730 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.091 0.709 5.036 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.763 1.683 4.362 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.759 -0.677 4.181 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.315 0.916 4.840 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.073 -0.550 5.819 1.00 0.00 H new ATOM 651 N ALA A 42 -7.479 0.778 7.320 1.00 0.00 N ATOM 652 CA ALA A 42 -8.817 1.274 7.595 1.00 0.00 C ATOM 653 C ALA A 42 -8.740 2.384 8.645 1.00 0.00 C ATOM 654 O ALA A 42 -9.154 3.514 8.391 1.00 0.00 O ATOM 655 CB ALA A 42 -9.711 0.113 8.037 1.00 0.00 C ATOM 0 H ALA A 42 -7.413 -0.234 7.211 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.260 1.702 6.696 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.715 0.485 8.243 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.756 -0.634 7.244 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.299 -0.340 8.939 1.00 0.00 H new ATOM 661 N ALA A 43 -8.207 2.023 9.803 1.00 0.00 N ATOM 662 CA ALA A 43 -8.070 2.974 10.893 1.00 0.00 C ATOM 663 C ALA A 43 -7.617 4.324 10.332 1.00 0.00 C ATOM 664 O ALA A 43 -8.306 5.330 10.494 1.00 0.00 O ATOM 665 CB ALA A 43 -7.097 2.420 11.935 1.00 0.00 C ATOM 0 H ALA A 43 -7.865 1.085 10.010 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.027 3.128 11.391 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.994 3.134 12.753 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.479 1.476 12.323 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.124 2.255 11.473 1.00 0.00 H new ATOM 671 N TYR A 44 -6.461 4.302 9.684 1.00 0.00 N ATOM 672 CA TYR A 44 -5.909 5.511 9.098 1.00 0.00 C ATOM 673 C TYR A 44 -6.931 6.197 8.189 1.00 0.00 C ATOM 674 O TYR A 44 -7.151 7.402 8.295 1.00 0.00 O ATOM 675 CB TYR A 44 -4.713 5.063 8.255 1.00 0.00 C ATOM 676 CG TYR A 44 -3.356 5.325 8.911 1.00 0.00 C ATOM 677 CD1 TYR A 44 -2.877 4.462 9.875 1.00 0.00 C ATOM 678 CD2 TYR A 44 -2.611 6.425 8.538 1.00 0.00 C ATOM 679 CE1 TYR A 44 -1.600 4.708 10.492 1.00 0.00 C ATOM 680 CE2 TYR A 44 -1.333 6.672 9.155 1.00 0.00 C ATOM 681 CZ TYR A 44 -0.891 5.801 10.102 1.00 0.00 C ATOM 682 OH TYR A 44 0.316 6.034 10.685 1.00 0.00 O ATOM 0 H TYR A 44 -5.892 3.466 9.552 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.629 6.221 9.876 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.806 3.997 8.049 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.746 5.577 7.294 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.461 3.601 10.167 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.986 7.101 7.784 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.214 4.040 11.247 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.739 7.529 8.872 1.00 0.00 H new ATOM 0 HH TYR A 44 0.710 6.848 10.308 1.00 0.00 H new ATOM 692 N ARG A 45 -7.527 5.399 7.316 1.00 0.00 N ATOM 693 CA ARG A 45 -8.521 5.914 6.389 1.00 0.00 C ATOM 694 C ARG A 45 -9.588 6.710 7.142 1.00 0.00 C ATOM 695 O ARG A 45 -9.816 7.882 6.848 1.00 0.00 O ATOM 696 CB ARG A 45 -9.193 4.778 5.615 1.00 0.00 C ATOM 697 CG ARG A 45 -8.185 4.051 4.722 1.00 0.00 C ATOM 698 CD ARG A 45 -8.453 4.341 3.244 1.00 0.00 C ATOM 699 NE ARG A 45 -8.743 3.081 2.525 1.00 0.00 N ATOM 700 CZ ARG A 45 -9.899 2.392 2.639 1.00 0.00 C ATOM 701 NH1 ARG A 45 -10.885 2.838 3.445 1.00 0.00 N ATOM 702 NH2 ARG A 45 -10.050 1.277 1.949 1.00 0.00 N ATOM 0 H ARG A 45 -7.341 4.400 7.231 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.008 6.566 5.682 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.640 4.072 6.314 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.003 5.178 5.005 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.173 4.364 4.980 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.242 2.977 4.902 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.295 5.027 3.146 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.588 4.832 2.799 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.024 2.709 1.904 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.760 3.701 3.974 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.755 2.312 3.526 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.300 0.948 1.341 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.917 0.745 2.024 1.00 0.00 H new ATOM 716 N ILE A 46 -10.213 6.041 8.100 1.00 0.00 N ATOM 717 CA ILE A 46 -11.251 6.671 8.898 1.00 0.00 C ATOM 718 C ILE A 46 -10.659 7.870 9.642 1.00 0.00 C ATOM 719 O ILE A 46 -11.360 8.842 9.917 1.00 0.00 O ATOM 720 CB ILE A 46 -11.917 5.646 9.817 1.00 0.00 C ATOM 721 CG1 ILE A 46 -13.180 6.224 10.460 1.00 0.00 C ATOM 722 CG2 ILE A 46 -10.930 5.123 10.863 1.00 0.00 C ATOM 723 CD1 ILE A 46 -14.434 5.528 9.928 1.00 0.00 C ATOM 0 H ILE A 46 -10.020 5.069 8.341 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.045 7.053 8.256 1.00 0.00 H new ATOM 0 HB ILE A 46 -12.225 4.794 9.211 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -13.127 6.108 11.543 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -13.239 7.293 10.257 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.430 4.396 11.503 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.087 4.647 10.362 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.569 5.953 11.470 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -15.317 5.958 10.401 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -14.497 5.667 8.849 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -14.383 4.463 10.155 1.00 0.00 H new ATOM 735 N TYR A 47 -9.374 7.761 9.946 1.00 0.00 N ATOM 736 CA TYR A 47 -8.679 8.824 10.652 1.00 0.00 C ATOM 737 C TYR A 47 -8.643 10.105 9.817 1.00 0.00 C ATOM 738 O TYR A 47 -8.938 11.188 10.321 1.00 0.00 O ATOM 739 CB TYR A 47 -7.248 8.326 10.863 1.00 0.00 C ATOM 740 CG TYR A 47 -6.609 8.801 12.169 1.00 0.00 C ATOM 741 CD1 TYR A 47 -6.988 8.232 13.369 1.00 0.00 C ATOM 742 CD2 TYR A 47 -5.655 9.798 12.149 1.00 0.00 C ATOM 743 CE1 TYR A 47 -6.387 8.679 14.599 1.00 0.00 C ATOM 744 CE2 TYR A 47 -5.054 10.244 13.378 1.00 0.00 C ATOM 745 CZ TYR A 47 -5.449 9.663 14.543 1.00 0.00 C ATOM 746 OH TYR A 47 -4.882 10.085 15.704 1.00 0.00 O ATOM 0 H TYR A 47 -8.796 6.953 9.716 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.184 9.054 11.590 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.248 7.236 10.846 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.632 8.658 10.027 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.735 7.452 13.385 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -5.359 10.244 11.211 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.674 8.243 15.544 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.306 11.023 13.376 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.229 10.790 15.512 1.00 0.00 H new ATOM 756 N ARG A 48 -8.280 9.940 8.553 1.00 0.00 N ATOM 757 CA ARG A 48 -8.202 11.070 7.643 1.00 0.00 C ATOM 758 C ARG A 48 -9.606 11.559 7.283 1.00 0.00 C ATOM 759 O ARG A 48 -9.875 12.759 7.312 1.00 0.00 O ATOM 760 CB ARG A 48 -7.455 10.693 6.361 1.00 0.00 C ATOM 761 CG ARG A 48 -6.785 11.919 5.737 1.00 0.00 C ATOM 762 CD ARG A 48 -5.510 12.293 6.496 1.00 0.00 C ATOM 763 NE ARG A 48 -5.758 13.477 7.349 1.00 0.00 N ATOM 764 CZ ARG A 48 -4.818 14.063 8.122 1.00 0.00 C ATOM 765 NH1 ARG A 48 -3.559 13.578 8.156 1.00 0.00 N ATOM 766 NH2 ARG A 48 -5.150 15.117 8.844 1.00 0.00 N ATOM 0 H ARG A 48 -8.037 9.041 8.138 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.655 11.866 8.148 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -6.702 9.936 6.583 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.150 10.251 5.647 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.545 11.715 4.694 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.478 12.760 5.746 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.183 11.454 7.110 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.706 12.504 5.791 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.697 13.875 7.353 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -3.311 12.763 7.595 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.855 14.027 8.742 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.104 15.477 8.813 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.453 15.572 9.433 1.00 0.00 H new ATOM 780 N LEU A 49 -10.463 10.605 6.950 1.00 0.00 N ATOM 781 CA LEU A 49 -11.833 10.925 6.585 1.00 0.00 C ATOM 782 C LEU A 49 -12.442 11.836 7.652 1.00 0.00 C ATOM 783 O LEU A 49 -12.735 13.000 7.385 1.00 0.00 O ATOM 784 CB LEU A 49 -12.634 9.644 6.339 1.00 0.00 C ATOM 785 CG LEU A 49 -13.697 9.719 5.241 1.00 0.00 C ATOM 786 CD1 LEU A 49 -14.804 10.706 5.617 1.00 0.00 C ATOM 787 CD2 LEU A 49 -13.066 10.052 3.888 1.00 0.00 C ATOM 0 H LEU A 49 -10.236 9.611 6.925 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.858 11.476 5.645 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -11.936 8.845 6.088 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -13.122 9.359 7.271 1.00 0.00 H new ATOM 0 HG LEU A 49 -14.160 8.737 5.146 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -15.547 10.741 4.820 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -15.280 10.383 6.543 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -14.375 11.698 5.756 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -13.844 10.099 3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -12.560 11.015 3.950 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -12.344 9.279 3.623 1.00 0.00 H new ATOM 799 N ARG A 50 -12.614 11.272 8.838 1.00 0.00 N ATOM 800 CA ARG A 50 -13.182 12.019 9.947 1.00 0.00 C ATOM 801 C ARG A 50 -12.231 13.138 10.376 1.00 0.00 C ATOM 802 O ARG A 50 -11.101 13.216 9.897 1.00 0.00 O ATOM 803 CB ARG A 50 -13.458 11.106 11.143 1.00 0.00 C ATOM 804 CG ARG A 50 -14.960 10.893 11.336 1.00 0.00 C ATOM 805 CD ARG A 50 -15.367 9.470 10.950 1.00 0.00 C ATOM 806 NE ARG A 50 -16.555 9.054 11.728 1.00 0.00 N ATOM 807 CZ ARG A 50 -17.828 9.304 11.356 1.00 0.00 C ATOM 808 NH1 ARG A 50 -18.090 9.971 10.212 1.00 0.00 N ATOM 809 NH2 ARG A 50 -18.814 8.886 12.128 1.00 0.00 N ATOM 0 H ARG A 50 -12.370 10.306 9.055 1.00 0.00 H new ATOM 0 HA ARG A 50 -14.125 12.449 9.608 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.967 10.144 10.992 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.030 11.544 12.045 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -15.227 11.082 12.376 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.513 11.610 10.730 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -15.586 9.422 9.883 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.541 8.784 11.137 1.00 0.00 H new ATOM 0 HE ARG A 50 -16.402 8.547 12.600 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -17.323 10.291 9.621 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -19.055 10.155 9.939 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -18.608 8.383 12.991 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -19.782 9.067 11.862 1.00 0.00 H new ATOM 823 N SER A 51 -12.724 13.978 11.275 1.00 0.00 N ATOM 824 CA SER A 51 -11.932 15.089 11.774 1.00 0.00 C ATOM 825 C SER A 51 -12.379 15.455 13.191 1.00 0.00 C ATOM 826 O SER A 51 -13.377 14.934 13.685 1.00 0.00 O ATOM 827 CB SER A 51 -12.045 16.304 10.851 1.00 0.00 C ATOM 828 OG SER A 51 -10.962 16.375 9.928 1.00 0.00 O ATOM 0 H SER A 51 -13.662 13.911 11.670 1.00 0.00 H new ATOM 0 HA SER A 51 -10.887 14.781 11.798 1.00 0.00 H new ATOM 0 HB2 SER A 51 -12.986 16.257 10.303 1.00 0.00 H new ATOM 0 HB3 SER A 51 -12.071 17.214 11.451 1.00 0.00 H new ATOM 0 HG SER A 51 -10.699 15.469 9.662 1.00 0.00 H new ATOM 834 N ARG A 52 -11.618 16.350 13.805 1.00 0.00 N ATOM 835 CA ARG A 52 -11.923 16.792 15.155 1.00 0.00 C ATOM 836 C ARG A 52 -12.394 18.248 15.143 1.00 0.00 C ATOM 837 O ARG A 52 -13.477 18.558 15.637 1.00 0.00 O ATOM 838 CB ARG A 52 -10.700 16.666 16.065 1.00 0.00 C ATOM 839 CG ARG A 52 -11.120 16.432 17.518 1.00 0.00 C ATOM 840 CD ARG A 52 -11.421 17.756 18.222 1.00 0.00 C ATOM 841 NE ARG A 52 -12.657 17.632 19.026 1.00 0.00 N ATOM 842 CZ ARG A 52 -13.312 18.678 19.574 1.00 0.00 C ATOM 843 NH1 ARG A 52 -12.854 19.937 19.408 1.00 0.00 N ATOM 844 NH2 ARG A 52 -14.408 18.451 20.274 1.00 0.00 N ATOM 0 H ARG A 52 -10.791 16.781 13.392 1.00 0.00 H new ATOM 0 HA ARG A 52 -12.717 16.153 15.542 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.074 15.841 15.726 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -10.097 17.572 15.998 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.002 15.792 17.547 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.327 15.906 18.049 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -10.586 18.034 18.865 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -11.535 18.551 17.485 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.038 16.698 19.176 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.007 20.104 18.865 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.355 20.721 19.825 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -14.748 17.497 20.394 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -14.915 19.230 20.695 1.00 0.00 H new ATOM 858 N GLY A 53 -11.557 19.102 14.573 1.00 0.00 N ATOM 859 CA GLY A 53 -11.873 20.518 14.491 1.00 0.00 C ATOM 860 C GLY A 53 -10.648 21.374 14.817 1.00 0.00 C ATOM 861 O GLY A 53 -10.536 21.910 15.918 1.00 0.00 O ATOM 0 H GLY A 53 -10.660 18.841 14.163 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.231 20.757 13.490 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.681 20.754 15.184 1.00 0.00 H new ATOM 865 N SER A 54 -9.760 21.476 13.839 1.00 0.00 N ATOM 866 CA SER A 54 -8.547 22.257 14.009 1.00 0.00 C ATOM 867 C SER A 54 -7.680 22.158 12.751 1.00 0.00 C ATOM 868 O SER A 54 -7.377 23.170 12.121 1.00 0.00 O ATOM 869 CB SER A 54 -7.758 21.792 15.235 1.00 0.00 C ATOM 870 OG SER A 54 -7.965 22.645 16.357 1.00 0.00 O ATOM 0 H SER A 54 -9.856 21.031 12.926 1.00 0.00 H new ATOM 0 HA SER A 54 -8.830 23.298 14.167 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.054 20.775 15.493 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.696 21.763 14.993 1.00 0.00 H new ATOM 0 HG SER A 54 -8.918 22.661 16.584 1.00 0.00 H new ATOM 876 N THR A 55 -7.306 20.930 12.425 1.00 0.00 N ATOM 877 CA THR A 55 -6.480 20.685 11.255 1.00 0.00 C ATOM 878 C THR A 55 -7.105 21.332 10.017 1.00 0.00 C ATOM 879 O THR A 55 -6.398 21.889 9.179 1.00 0.00 O ATOM 880 CB THR A 55 -6.288 19.173 11.119 1.00 0.00 C ATOM 881 OG1 THR A 55 -5.864 18.760 12.415 1.00 0.00 O ATOM 882 CG2 THR A 55 -5.113 18.812 10.209 1.00 0.00 C ATOM 0 H THR A 55 -7.560 20.094 12.951 1.00 0.00 H new ATOM 0 HA THR A 55 -5.497 21.143 11.362 1.00 0.00 H new ATOM 0 HB THR A 55 -7.201 18.724 10.727 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.718 17.791 12.418 1.00 0.00 H new ATOM 0 HG21 THR A 55 -5.021 17.728 10.147 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.286 19.219 9.213 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.194 19.231 10.618 1.00 0.00 H new ATOM 890 N LYS A 56 -8.425 21.236 9.941 1.00 0.00 N ATOM 891 CA LYS A 56 -9.153 21.804 8.819 1.00 0.00 C ATOM 892 C LYS A 56 -8.593 21.237 7.513 1.00 0.00 C ATOM 893 O LYS A 56 -8.426 21.966 6.537 1.00 0.00 O ATOM 894 CB LYS A 56 -9.130 23.333 8.885 1.00 0.00 C ATOM 895 CG LYS A 56 -9.936 23.842 10.082 1.00 0.00 C ATOM 896 CD LYS A 56 -11.401 24.066 9.703 1.00 0.00 C ATOM 897 CE LYS A 56 -11.937 25.358 10.323 1.00 0.00 C ATOM 898 NZ LYS A 56 -13.415 25.331 10.378 1.00 0.00 N ATOM 0 H LYS A 56 -9.009 20.773 10.638 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.205 21.521 8.865 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.100 23.682 8.961 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.540 23.747 7.964 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.874 23.123 10.899 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.504 24.775 10.445 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.497 24.112 8.618 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.001 23.221 10.040 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.532 25.482 11.327 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.604 26.215 9.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.763 26.215 10.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.797 25.235 9.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.726 24.524 10.956 1.00 0.00 H new ATOM 912 N MET A 57 -8.320 19.941 7.537 1.00 0.00 N ATOM 913 CA MET A 57 -7.783 19.267 6.367 1.00 0.00 C ATOM 914 C MET A 57 -6.486 19.931 5.900 1.00 0.00 C ATOM 915 O MET A 57 -6.370 20.328 4.741 1.00 0.00 O ATOM 916 CB MET A 57 -8.813 19.307 5.237 1.00 0.00 C ATOM 917 CG MET A 57 -9.973 18.350 5.518 1.00 0.00 C ATOM 918 SD MET A 57 -11.286 18.618 4.339 1.00 0.00 S ATOM 919 CE MET A 57 -11.873 20.213 4.884 1.00 0.00 C ATOM 0 H MET A 57 -8.461 19.339 8.349 1.00 0.00 H new ATOM 0 HA MET A 57 -7.564 18.233 6.634 1.00 0.00 H new ATOM 0 HB2 MET A 57 -9.194 20.322 5.123 1.00 0.00 H new ATOM 0 HB3 MET A 57 -8.335 19.038 4.295 1.00 0.00 H new ATOM 0 HG2 MET A 57 -9.626 17.318 5.460 1.00 0.00 H new ATOM 0 HG3 MET A 57 -10.345 18.505 6.531 1.00 0.00 H new ATOM 0 HE1 MET A 57 -12.925 20.323 4.620 1.00 0.00 H new ATOM 0 HE2 MET A 57 -11.760 20.292 5.965 1.00 0.00 H new ATOM 0 HE3 MET A 57 -11.293 20.999 4.400 1.00 0.00 H new ATOM 929 N SER A 58 -5.543 20.031 6.825 1.00 0.00 N ATOM 930 CA SER A 58 -4.258 20.639 6.522 1.00 0.00 C ATOM 931 C SER A 58 -4.455 22.100 6.113 1.00 0.00 C ATOM 932 O SER A 58 -5.577 22.606 6.125 1.00 0.00 O ATOM 933 CB SER A 58 -3.533 19.872 5.415 1.00 0.00 C ATOM 934 OG SER A 58 -2.666 18.869 5.940 1.00 0.00 O ATOM 0 H SER A 58 -5.643 19.701 7.785 1.00 0.00 H new ATOM 0 HA SER A 58 -3.640 20.599 7.419 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.266 19.408 4.755 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.955 20.570 4.809 1.00 0.00 H new ATOM 0 HG SER A 58 -2.223 18.401 5.202 1.00 0.00 H new ATOM 940 N ILE A 59 -3.348 22.738 5.762 1.00 0.00 N ATOM 941 CA ILE A 59 -3.385 24.131 5.351 1.00 0.00 C ATOM 942 C ILE A 59 -3.845 24.216 3.894 1.00 0.00 C ATOM 943 O ILE A 59 -4.400 25.229 3.473 1.00 0.00 O ATOM 944 CB ILE A 59 -2.034 24.802 5.609 1.00 0.00 C ATOM 945 CG1 ILE A 59 -2.189 26.320 5.720 1.00 0.00 C ATOM 946 CG2 ILE A 59 -1.012 24.406 4.542 1.00 0.00 C ATOM 947 CD1 ILE A 59 -2.416 26.743 7.173 1.00 0.00 C ATOM 0 H ILE A 59 -2.420 22.316 5.754 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.109 24.685 5.948 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.653 24.446 6.566 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.297 26.810 5.330 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.027 26.649 5.106 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.061 24.897 4.749 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.873 23.325 4.555 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.373 24.714 3.561 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.523 27.827 7.224 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.322 26.271 7.552 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.565 26.434 7.779 1.00 0.00 H new ATOM 959 N HIS A 60 -3.597 23.138 3.164 1.00 0.00 N ATOM 960 CA HIS A 60 -3.978 23.078 1.764 1.00 0.00 C ATOM 961 C HIS A 60 -5.125 22.081 1.586 1.00 0.00 C ATOM 962 O HIS A 60 -6.236 22.465 1.224 1.00 0.00 O ATOM 963 CB HIS A 60 -2.769 22.753 0.885 1.00 0.00 C ATOM 964 CG HIS A 60 -3.076 22.718 -0.594 1.00 0.00 C ATOM 965 ND1 HIS A 60 -3.051 23.849 -1.391 1.00 0.00 N ATOM 966 CD2 HIS A 60 -3.413 21.679 -1.409 1.00 0.00 C ATOM 967 CE1 HIS A 60 -3.362 23.494 -2.629 1.00 0.00 C ATOM 968 NE2 HIS A 60 -3.587 22.149 -2.638 1.00 0.00 N ATOM 0 H HIS A 60 -3.137 22.299 3.517 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.338 24.055 1.440 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.991 23.494 1.067 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.364 21.786 1.185 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -3.520 20.648 -1.106 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -3.426 24.154 -3.481 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -3.846 21.595 -3.455 1.00 0.00 H new ATOM 976 N LEU A 61 -4.816 20.819 1.850 1.00 0.00 N ATOM 977 CA LEU A 61 -5.807 19.764 1.724 1.00 0.00 C ATOM 978 C LEU A 61 -5.312 18.516 2.459 1.00 0.00 C ATOM 979 O LEU A 61 -5.802 18.194 3.540 1.00 0.00 O ATOM 980 CB LEU A 61 -6.143 19.518 0.252 1.00 0.00 C ATOM 981 CG LEU A 61 -7.631 19.393 -0.084 1.00 0.00 C ATOM 982 CD1 LEU A 61 -7.856 19.436 -1.597 1.00 0.00 C ATOM 983 CD2 LEU A 61 -8.232 18.137 0.550 1.00 0.00 C ATOM 0 H LEU A 61 -3.894 20.504 2.150 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.744 20.062 2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.725 20.334 -0.337 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.641 18.605 -0.067 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.152 20.250 0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.921 19.345 -1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.486 20.382 -1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.321 18.612 -2.068 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.290 18.072 0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.713 17.255 0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -8.121 18.188 1.633 1.00 0.00 H new ATOM 995 N ILE A 62 -4.349 17.848 1.842 1.00 0.00 N ATOM 996 CA ILE A 62 -3.784 16.643 2.424 1.00 0.00 C ATOM 997 C ILE A 62 -2.503 16.272 1.673 1.00 0.00 C ATOM 998 O ILE A 62 -2.496 16.205 0.445 1.00 0.00 O ATOM 999 CB ILE A 62 -4.825 15.522 2.454 1.00 0.00 C ATOM 1000 CG1 ILE A 62 -4.267 14.273 3.137 1.00 0.00 C ATOM 1001 CG2 ILE A 62 -5.347 15.222 1.047 1.00 0.00 C ATOM 1002 CD1 ILE A 62 -3.398 13.462 2.173 1.00 0.00 C ATOM 0 H ILE A 62 -3.946 18.118 0.945 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.507 16.817 3.464 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.674 15.860 3.048 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.678 14.563 4.007 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.088 13.655 3.499 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.085 14.422 1.096 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.809 16.118 0.632 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.518 14.913 0.410 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.014 12.579 2.684 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.996 13.153 1.316 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.564 14.075 1.831 1.00 0.00 H new ATOM 1014 N HIS A 63 -1.450 16.040 2.444 1.00 0.00 N ATOM 1015 CA HIS A 63 -0.166 15.678 1.867 1.00 0.00 C ATOM 1016 C HIS A 63 0.835 15.384 2.986 1.00 0.00 C ATOM 1017 O HIS A 63 1.236 14.238 3.180 1.00 0.00 O ATOM 1018 CB HIS A 63 0.322 16.762 0.904 1.00 0.00 C ATOM 1019 CG HIS A 63 0.149 18.169 1.424 1.00 0.00 C ATOM 1020 ND1 HIS A 63 1.178 18.882 2.013 1.00 0.00 N ATOM 1021 CD2 HIS A 63 -0.943 18.986 1.436 1.00 0.00 C ATOM 1022 CE1 HIS A 63 0.715 20.074 2.361 1.00 0.00 C ATOM 1023 NE2 HIS A 63 -0.600 20.136 2.003 1.00 0.00 N ATOM 0 H HIS A 63 -1.460 16.096 3.462 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.273 14.769 1.275 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.377 16.593 0.687 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.217 16.665 -0.039 1.00 0.00 H new ATOM 0 HD1 HIS A 63 2.131 18.547 2.155 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -1.921 18.739 1.050 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.279 20.858 2.843 1.00 0.00 H new ATOM 1031 N THR A 64 1.209 16.440 3.694 1.00 0.00 N ATOM 1032 CA THR A 64 2.155 16.311 4.789 1.00 0.00 C ATOM 1033 C THR A 64 3.263 15.322 4.421 1.00 0.00 C ATOM 1034 O THR A 64 3.625 15.195 3.252 1.00 0.00 O ATOM 1035 CB THR A 64 1.375 15.911 6.043 1.00 0.00 C ATOM 1036 OG1 THR A 64 0.965 14.571 5.784 1.00 0.00 O ATOM 1037 CG2 THR A 64 0.061 16.682 6.186 1.00 0.00 C ATOM 0 H THR A 64 0.874 17.389 3.530 1.00 0.00 H new ATOM 0 HA THR A 64 2.659 17.256 4.991 1.00 0.00 H new ATOM 0 HB THR A 64 1.993 16.081 6.925 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.453 14.232 6.548 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.453 16.360 7.092 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.271 17.750 6.248 1.00 0.00 H new ATOM 0 HG23 THR A 64 -0.572 16.486 5.321 1.00 0.00 H new ATOM 1045 N ARG A 65 3.772 14.646 5.442 1.00 0.00 N ATOM 1046 CA ARG A 65 4.832 13.673 5.241 1.00 0.00 C ATOM 1047 C ARG A 65 4.378 12.290 5.712 1.00 0.00 C ATOM 1048 O ARG A 65 4.642 11.287 5.050 1.00 0.00 O ATOM 1049 CB ARG A 65 6.098 14.073 6.000 1.00 0.00 C ATOM 1050 CG ARG A 65 5.804 14.280 7.487 1.00 0.00 C ATOM 1051 CD ARG A 65 7.039 14.803 8.223 1.00 0.00 C ATOM 1052 NE ARG A 65 6.680 15.985 9.037 1.00 0.00 N ATOM 1053 CZ ARG A 65 6.544 17.233 8.541 1.00 0.00 C ATOM 1054 NH1 ARG A 65 6.735 17.472 7.226 1.00 0.00 N ATOM 1055 NH2 ARG A 65 6.220 18.216 9.360 1.00 0.00 N ATOM 0 H ARG A 65 3.470 14.753 6.410 1.00 0.00 H new ATOM 0 HA ARG A 65 5.057 13.642 4.175 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.857 13.300 5.880 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.506 14.990 5.575 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.981 14.985 7.604 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.483 13.338 7.932 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.449 14.022 8.863 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.815 15.068 7.505 1.00 0.00 H new ATOM 0 HE ARG A 65 6.526 15.848 10.036 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.984 16.707 6.599 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.630 18.418 6.859 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.076 18.027 10.352 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.113 19.165 9.001 1.00 0.00 H new ATOM 1069 N VAL A 66 3.704 12.280 6.853 1.00 0.00 N ATOM 1070 CA VAL A 66 3.211 11.037 7.420 1.00 0.00 C ATOM 1071 C VAL A 66 2.156 10.438 6.488 1.00 0.00 C ATOM 1072 O VAL A 66 2.274 9.287 6.069 1.00 0.00 O ATOM 1073 CB VAL A 66 2.687 11.279 8.837 1.00 0.00 C ATOM 1074 CG1 VAL A 66 1.919 10.062 9.354 1.00 0.00 C ATOM 1075 CG2 VAL A 66 3.828 11.651 9.787 1.00 0.00 C ATOM 0 H VAL A 66 3.488 13.113 7.400 1.00 0.00 H new ATOM 0 HA VAL A 66 4.019 10.311 7.506 1.00 0.00 H new ATOM 0 HB VAL A 66 1.994 12.120 8.798 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.558 10.261 10.363 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.072 9.861 8.698 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.579 9.195 9.370 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.429 11.818 10.787 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.555 10.840 9.817 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.314 12.561 9.434 1.00 0.00 H new ATOM 1085 N ALA A 67 1.150 11.246 6.189 1.00 0.00 N ATOM 1086 CA ALA A 67 0.075 10.810 5.313 1.00 0.00 C ATOM 1087 C ALA A 67 0.649 10.480 3.934 1.00 0.00 C ATOM 1088 O ALA A 67 0.130 9.612 3.234 1.00 0.00 O ATOM 1089 CB ALA A 67 -1.004 11.893 5.252 1.00 0.00 C ATOM 0 H ALA A 67 1.056 12.200 6.537 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.393 9.905 5.700 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.810 11.567 4.595 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.400 12.069 6.252 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.572 12.816 4.865 1.00 0.00 H new ATOM 1095 N ALA A 68 1.711 11.190 3.585 1.00 0.00 N ATOM 1096 CA ALA A 68 2.361 10.983 2.302 1.00 0.00 C ATOM 1097 C ALA A 68 2.942 9.569 2.251 1.00 0.00 C ATOM 1098 O ALA A 68 2.698 8.828 1.300 1.00 0.00 O ATOM 1099 CB ALA A 68 3.428 12.060 2.091 1.00 0.00 C ATOM 0 H ALA A 68 2.138 11.910 4.168 1.00 0.00 H new ATOM 0 HA ALA A 68 1.641 11.073 1.488 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.916 11.905 1.129 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.960 13.044 2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.169 11.999 2.888 1.00 0.00 H new ATOM 1105 N GLN A 69 3.699 9.237 3.287 1.00 0.00 N ATOM 1106 CA GLN A 69 4.317 7.925 3.372 1.00 0.00 C ATOM 1107 C GLN A 69 3.246 6.832 3.352 1.00 0.00 C ATOM 1108 O GLN A 69 3.405 5.814 2.679 1.00 0.00 O ATOM 1109 CB GLN A 69 5.193 7.811 4.621 1.00 0.00 C ATOM 1110 CG GLN A 69 6.621 8.279 4.334 1.00 0.00 C ATOM 1111 CD GLN A 69 7.475 7.132 3.790 1.00 0.00 C ATOM 1112 OE1 GLN A 69 7.247 6.612 2.710 1.00 0.00 O ATOM 1113 NE2 GLN A 69 8.468 6.767 4.596 1.00 0.00 N ATOM 0 H GLN A 69 3.898 9.854 4.074 1.00 0.00 H new ATOM 0 HA GLN A 69 4.962 7.792 2.503 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.765 8.409 5.425 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.208 6.777 4.966 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.602 9.096 3.613 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.070 8.670 5.247 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.603 7.244 5.487 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.094 6.010 4.323 1.00 0.00 H new ATOM 1122 N ALA A 70 2.179 7.080 4.096 1.00 0.00 N ATOM 1123 CA ALA A 70 1.082 6.130 4.172 1.00 0.00 C ATOM 1124 C ALA A 70 0.372 6.067 2.818 1.00 0.00 C ATOM 1125 O ALA A 70 -0.220 5.047 2.470 1.00 0.00 O ATOM 1126 CB ALA A 70 0.138 6.530 5.308 1.00 0.00 C ATOM 0 H ALA A 70 2.050 7.925 4.652 1.00 0.00 H new ATOM 0 HA ALA A 70 1.455 5.130 4.395 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.685 5.818 5.365 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.684 6.530 6.252 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.258 7.527 5.118 1.00 0.00 H new ATOM 1132 N CYS A 71 0.456 7.172 2.091 1.00 0.00 N ATOM 1133 CA CYS A 71 -0.171 7.255 0.783 1.00 0.00 C ATOM 1134 C CYS A 71 0.616 6.368 -0.184 1.00 0.00 C ATOM 1135 O CYS A 71 0.029 5.674 -1.013 1.00 0.00 O ATOM 1136 CB CYS A 71 -0.259 8.701 0.289 1.00 0.00 C ATOM 1137 SG CYS A 71 -1.995 9.276 0.343 1.00 0.00 S ATOM 0 H CYS A 71 0.948 8.016 2.383 1.00 0.00 H new ATOM 0 HA CYS A 71 -1.199 6.899 0.846 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.365 9.344 0.909 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.124 8.770 -0.729 1.00 0.00 H new ATOM 0 HG CYS A 71 -2.058 10.505 -0.076 1.00 0.00 H new ATOM 1143 N ALA A 72 1.933 6.420 -0.046 1.00 0.00 N ATOM 1144 CA ALA A 72 2.806 5.630 -0.898 1.00 0.00 C ATOM 1145 C ALA A 72 2.661 4.150 -0.536 1.00 0.00 C ATOM 1146 O ALA A 72 2.115 3.368 -1.314 1.00 0.00 O ATOM 1147 CB ALA A 72 4.246 6.127 -0.754 1.00 0.00 C ATOM 0 H ALA A 72 2.416 6.997 0.643 1.00 0.00 H new ATOM 0 HA ALA A 72 2.525 5.743 -1.945 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.901 5.535 -1.393 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.301 7.175 -1.050 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.564 6.026 0.284 1.00 0.00 H new ATOM 1153 N VAL A 73 3.159 3.811 0.643 1.00 0.00 N ATOM 1154 CA VAL A 73 3.091 2.439 1.117 1.00 0.00 C ATOM 1155 C VAL A 73 1.646 1.944 1.030 1.00 0.00 C ATOM 1156 O VAL A 73 1.405 0.754 0.833 1.00 0.00 O ATOM 1157 CB VAL A 73 3.671 2.344 2.530 1.00 0.00 C ATOM 1158 CG1 VAL A 73 2.739 2.999 3.550 1.00 0.00 C ATOM 1159 CG2 VAL A 73 3.962 0.890 2.907 1.00 0.00 C ATOM 0 H VAL A 73 3.611 4.462 1.285 1.00 0.00 H new ATOM 0 HA VAL A 73 3.696 1.787 0.487 1.00 0.00 H new ATOM 0 HB VAL A 73 4.615 2.888 2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.175 2.918 4.546 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.605 4.051 3.297 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.772 2.496 3.535 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.373 0.851 3.916 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.038 0.312 2.869 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.682 0.469 2.205 1.00 0.00 H new ATOM 1169 N GLY A 74 0.723 2.882 1.181 1.00 0.00 N ATOM 1170 CA GLY A 74 -0.692 2.556 1.121 1.00 0.00 C ATOM 1171 C GLY A 74 -1.103 2.156 -0.297 1.00 0.00 C ATOM 1172 O GLY A 74 -1.743 1.124 -0.494 1.00 0.00 O ATOM 0 H GLY A 74 0.927 3.868 1.345 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.910 1.740 1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.281 3.414 1.446 1.00 0.00 H new ATOM 1176 N ALA A 75 -0.719 2.994 -1.249 1.00 0.00 N ATOM 1177 CA ALA A 75 -1.040 2.740 -2.643 1.00 0.00 C ATOM 1178 C ALA A 75 -0.491 1.370 -3.047 1.00 0.00 C ATOM 1179 O ALA A 75 -1.153 0.618 -3.761 1.00 0.00 O ATOM 1180 CB ALA A 75 -0.481 3.871 -3.509 1.00 0.00 C ATOM 0 H ALA A 75 -0.189 3.849 -1.082 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.120 2.719 -2.791 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.721 3.681 -4.555 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.924 4.818 -3.201 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.601 3.921 -3.389 1.00 0.00 H new ATOM 1186 N ILE A 76 0.714 1.088 -2.574 1.00 0.00 N ATOM 1187 CA ILE A 76 1.359 -0.178 -2.877 1.00 0.00 C ATOM 1188 C ILE A 76 0.635 -1.305 -2.137 1.00 0.00 C ATOM 1189 O ILE A 76 -0.030 -2.133 -2.757 1.00 0.00 O ATOM 1190 CB ILE A 76 2.856 -0.104 -2.571 1.00 0.00 C ATOM 1191 CG1 ILE A 76 3.561 0.870 -3.518 1.00 0.00 C ATOM 1192 CG2 ILE A 76 3.492 -1.495 -2.602 1.00 0.00 C ATOM 1193 CD1 ILE A 76 4.895 1.336 -2.931 1.00 0.00 C ATOM 0 H ILE A 76 1.261 1.715 -1.983 1.00 0.00 H new ATOM 0 HA ILE A 76 1.286 -0.397 -3.942 1.00 0.00 H new ATOM 0 HB ILE A 76 2.979 0.283 -1.560 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.732 0.388 -4.481 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.920 1.732 -3.703 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.556 -1.413 -2.381 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.014 -2.130 -1.856 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.359 -1.934 -3.591 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.376 2.027 -3.623 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.718 1.839 -1.980 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.543 0.474 -2.770 1.00 0.00 H new ATOM 1205 N MET A 77 0.790 -1.299 -0.821 1.00 0.00 N ATOM 1206 CA MET A 77 0.159 -2.310 0.011 1.00 0.00 C ATOM 1207 C MET A 77 -1.270 -2.592 -0.457 1.00 0.00 C ATOM 1208 O MET A 77 -1.593 -3.717 -0.835 1.00 0.00 O ATOM 1209 CB MET A 77 0.136 -1.834 1.464 1.00 0.00 C ATOM 1210 CG MET A 77 0.060 -3.020 2.429 1.00 0.00 C ATOM 1211 SD MET A 77 1.693 -3.434 3.017 1.00 0.00 S ATOM 1212 CE MET A 77 1.333 -4.950 3.888 1.00 0.00 C ATOM 0 H MET A 77 1.343 -0.611 -0.311 1.00 0.00 H new ATOM 0 HA MET A 77 0.736 -3.231 -0.069 1.00 0.00 H new ATOM 0 HB2 MET A 77 1.031 -1.248 1.673 1.00 0.00 H new ATOM 0 HB3 MET A 77 -0.719 -1.177 1.622 1.00 0.00 H new ATOM 0 HG2 MET A 77 -0.587 -2.774 3.271 1.00 0.00 H new ATOM 0 HG3 MET A 77 -0.384 -3.880 1.927 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.251 -5.348 4.321 1.00 0.00 H new ATOM 0 HE2 MET A 77 0.613 -4.751 4.682 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.915 -5.678 3.193 1.00 0.00 H new ATOM 1222 N LEU A 78 -2.088 -1.550 -0.417 1.00 0.00 N ATOM 1223 CA LEU A 78 -3.475 -1.672 -0.832 1.00 0.00 C ATOM 1224 C LEU A 78 -3.532 -2.286 -2.232 1.00 0.00 C ATOM 1225 O LEU A 78 -4.125 -3.347 -2.425 1.00 0.00 O ATOM 1226 CB LEU A 78 -4.187 -0.321 -0.724 1.00 0.00 C ATOM 1227 CG LEU A 78 -5.684 -0.375 -0.411 1.00 0.00 C ATOM 1228 CD1 LEU A 78 -6.406 -1.341 -1.353 1.00 0.00 C ATOM 1229 CD2 LEU A 78 -5.924 -0.722 1.060 1.00 0.00 C ATOM 0 H LEU A 78 -1.817 -0.618 -0.104 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.014 -2.345 -0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.695 0.266 0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.051 0.215 -1.663 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.105 0.616 -0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.468 -1.361 -1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.276 -1.010 -2.383 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.989 -2.341 -1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.996 -0.754 1.256 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.486 -1.695 1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.462 0.036 1.693 1.00 0.00 H new ATOM 1241 N GLY A 79 -2.908 -1.594 -3.174 1.00 0.00 N ATOM 1242 CA GLY A 79 -2.880 -2.058 -4.550 1.00 0.00 C ATOM 1243 C GLY A 79 -2.723 -3.579 -4.613 1.00 0.00 C ATOM 1244 O GLY A 79 -3.612 -4.279 -5.094 1.00 0.00 O ATOM 0 H GLY A 79 -2.418 -0.715 -3.011 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.799 -1.762 -5.056 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.056 -1.582 -5.081 1.00 0.00 H new ATOM 1248 N ALA A 80 -1.585 -4.045 -4.119 1.00 0.00 N ATOM 1249 CA ALA A 80 -1.300 -5.470 -4.113 1.00 0.00 C ATOM 1250 C ALA A 80 -2.471 -6.217 -3.470 1.00 0.00 C ATOM 1251 O ALA A 80 -3.039 -7.125 -4.075 1.00 0.00 O ATOM 1252 CB ALA A 80 0.022 -5.723 -3.386 1.00 0.00 C ATOM 0 H ALA A 80 -0.850 -3.461 -3.720 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.189 -5.844 -5.131 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.236 -6.792 -3.381 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.826 -5.194 -3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.053 -5.363 -2.360 1.00 0.00 H new ATOM 1258 N VAL A 81 -2.797 -5.806 -2.254 1.00 0.00 N ATOM 1259 CA VAL A 81 -3.890 -6.425 -1.523 1.00 0.00 C ATOM 1260 C VAL A 81 -5.081 -6.620 -2.463 1.00 0.00 C ATOM 1261 O VAL A 81 -5.413 -7.748 -2.825 1.00 0.00 O ATOM 1262 CB VAL A 81 -4.234 -5.589 -0.288 1.00 0.00 C ATOM 1263 CG1 VAL A 81 -5.505 -6.107 0.388 1.00 0.00 C ATOM 1264 CG2 VAL A 81 -3.063 -5.558 0.696 1.00 0.00 C ATOM 0 H VAL A 81 -2.324 -5.052 -1.756 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.597 -7.410 -1.161 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.422 -4.567 -0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.727 -5.496 1.263 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.338 -6.053 -0.313 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.357 -7.142 0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.333 -4.958 1.565 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.829 -6.574 1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.191 -5.121 0.210 1.00 0.00 H new ATOM 1274 N TYR A 82 -5.691 -5.504 -2.833 1.00 0.00 N ATOM 1275 CA TYR A 82 -6.838 -5.538 -3.724 1.00 0.00 C ATOM 1276 C TYR A 82 -6.669 -6.618 -4.795 1.00 0.00 C ATOM 1277 O TYR A 82 -7.519 -7.495 -4.936 1.00 0.00 O ATOM 1278 CB TYR A 82 -6.885 -4.167 -4.403 1.00 0.00 C ATOM 1279 CG TYR A 82 -8.164 -3.376 -4.119 1.00 0.00 C ATOM 1280 CD1 TYR A 82 -8.605 -3.221 -2.821 1.00 0.00 C ATOM 1281 CD2 TYR A 82 -8.876 -2.818 -5.161 1.00 0.00 C ATOM 1282 CE1 TYR A 82 -9.808 -2.476 -2.553 1.00 0.00 C ATOM 1283 CE2 TYR A 82 -10.079 -2.074 -4.894 1.00 0.00 C ATOM 1284 CZ TYR A 82 -10.486 -1.940 -3.603 1.00 0.00 C ATOM 1285 OH TYR A 82 -11.623 -1.236 -3.351 1.00 0.00 O ATOM 0 H TYR A 82 -5.412 -4.570 -2.532 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.749 -5.762 -3.169 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.027 -3.581 -4.075 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.785 -4.303 -5.480 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.048 -3.658 -2.006 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -8.531 -2.939 -6.177 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.164 -2.346 -1.542 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.646 -1.632 -5.700 1.00 0.00 H new ATOM 0 HH TYR A 82 -12.000 -0.911 -4.195 1.00 0.00 H new ATOM 1295 N THR A 83 -5.565 -6.519 -5.521 1.00 0.00 N ATOM 1296 CA THR A 83 -5.273 -7.476 -6.574 1.00 0.00 C ATOM 1297 C THR A 83 -5.440 -8.906 -6.056 1.00 0.00 C ATOM 1298 O THR A 83 -6.066 -9.738 -6.711 1.00 0.00 O ATOM 1299 CB THR A 83 -3.868 -7.182 -7.104 1.00 0.00 C ATOM 1300 OG1 THR A 83 -4.036 -6.014 -7.902 1.00 0.00 O ATOM 1301 CG2 THR A 83 -3.382 -8.243 -8.094 1.00 0.00 C ATOM 0 H THR A 83 -4.862 -5.790 -5.400 1.00 0.00 H new ATOM 0 HA THR A 83 -5.975 -7.379 -7.402 1.00 0.00 H new ATOM 0 HB THR A 83 -3.171 -7.118 -6.269 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.172 -5.752 -8.284 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.380 -7.987 -8.439 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.359 -9.216 -7.603 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.060 -8.283 -8.946 1.00 0.00 H new ATOM 1309 N MET A 84 -4.869 -9.148 -4.885 1.00 0.00 N ATOM 1310 CA MET A 84 -4.947 -10.462 -4.271 1.00 0.00 C ATOM 1311 C MET A 84 -6.376 -10.774 -3.821 1.00 0.00 C ATOM 1312 O MET A 84 -7.038 -11.636 -4.396 1.00 0.00 O ATOM 1313 CB MET A 84 -4.007 -10.520 -3.065 1.00 0.00 C ATOM 1314 CG MET A 84 -2.566 -10.781 -3.506 1.00 0.00 C ATOM 1315 SD MET A 84 -1.441 -9.800 -2.526 1.00 0.00 S ATOM 1316 CE MET A 84 0.081 -10.097 -3.412 1.00 0.00 C ATOM 0 H MET A 84 -4.350 -8.455 -4.345 1.00 0.00 H new ATOM 0 HA MET A 84 -4.649 -11.205 -5.010 1.00 0.00 H new ATOM 0 HB2 MET A 84 -4.058 -9.581 -2.514 1.00 0.00 H new ATOM 0 HB3 MET A 84 -4.331 -11.307 -2.384 1.00 0.00 H new ATOM 0 HG2 MET A 84 -2.329 -11.839 -3.396 1.00 0.00 H new ATOM 0 HG3 MET A 84 -2.450 -10.536 -4.562 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.894 -9.554 -2.930 1.00 0.00 H new ATOM 0 HE2 MET A 84 0.303 -11.164 -3.406 1.00 0.00 H new ATOM 0 HE3 MET A 84 -0.024 -9.754 -4.441 1.00 0.00 H new ATOM 1326 N TYR A 85 -6.809 -10.054 -2.796 1.00 0.00 N ATOM 1327 CA TYR A 85 -8.147 -10.242 -2.262 1.00 0.00 C ATOM 1328 C TYR A 85 -9.152 -10.513 -3.383 1.00 0.00 C ATOM 1329 O TYR A 85 -10.068 -11.318 -3.220 1.00 0.00 O ATOM 1330 CB TYR A 85 -8.514 -8.928 -1.571 1.00 0.00 C ATOM 1331 CG TYR A 85 -9.840 -8.974 -0.809 1.00 0.00 C ATOM 1332 CD1 TYR A 85 -10.005 -9.860 0.236 1.00 0.00 C ATOM 1333 CD2 TYR A 85 -10.872 -8.130 -1.167 1.00 0.00 C ATOM 1334 CE1 TYR A 85 -11.253 -9.904 0.953 1.00 0.00 C ATOM 1335 CE2 TYR A 85 -12.120 -8.174 -0.450 1.00 0.00 C ATOM 1336 CZ TYR A 85 -12.249 -9.059 0.575 1.00 0.00 C ATOM 1337 OH TYR A 85 -13.427 -9.100 1.252 1.00 0.00 O ATOM 0 H TYR A 85 -6.257 -9.340 -2.321 1.00 0.00 H new ATOM 0 HA TYR A 85 -8.172 -11.093 -1.582 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.717 -8.660 -0.877 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -8.564 -8.137 -2.320 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.198 -10.521 0.516 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.743 -7.437 -1.985 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -11.395 -10.593 1.773 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -12.935 -7.519 -0.720 1.00 0.00 H new ATOM 0 HH TYR A 85 -14.045 -8.440 0.873 1.00 0.00 H new ATOM 1347 N SER A 86 -8.947 -9.826 -4.497 1.00 0.00 N ATOM 1348 CA SER A 86 -9.824 -9.982 -5.645 1.00 0.00 C ATOM 1349 C SER A 86 -9.467 -11.260 -6.406 1.00 0.00 C ATOM 1350 O SER A 86 -10.349 -12.034 -6.775 1.00 0.00 O ATOM 1351 CB SER A 86 -9.736 -8.769 -6.574 1.00 0.00 C ATOM 1352 OG SER A 86 -10.525 -7.679 -6.104 1.00 0.00 O ATOM 0 H SER A 86 -8.186 -9.160 -4.629 1.00 0.00 H new ATOM 0 HA SER A 86 -10.850 -10.056 -5.284 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.696 -8.453 -6.661 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.067 -9.052 -7.573 1.00 0.00 H new ATOM 0 HG SER A 86 -10.441 -6.924 -6.723 1.00 0.00 H new ATOM 1358 N ASP A 87 -8.172 -11.442 -6.619 1.00 0.00 N ATOM 1359 CA ASP A 87 -7.687 -12.613 -7.330 1.00 0.00 C ATOM 1360 C ASP A 87 -8.228 -13.874 -6.653 1.00 0.00 C ATOM 1361 O ASP A 87 -8.478 -14.880 -7.316 1.00 0.00 O ATOM 1362 CB ASP A 87 -6.159 -12.680 -7.303 1.00 0.00 C ATOM 1363 CG ASP A 87 -5.479 -12.488 -8.660 1.00 0.00 C ATOM 1364 OD1 ASP A 87 -5.408 -13.419 -9.476 1.00 0.00 O ATOM 1365 OD2 ASP A 87 -5.004 -11.307 -8.870 1.00 0.00 O ATOM 0 H ASP A 87 -7.443 -10.798 -6.312 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.026 -12.545 -8.364 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.789 -11.918 -6.617 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.860 -13.646 -6.897 1.00 0.00 H new ATOM 1370 N TYR A 88 -8.392 -13.780 -5.342 1.00 0.00 N ATOM 1371 CA TYR A 88 -8.898 -14.901 -4.569 1.00 0.00 C ATOM 1372 C TYR A 88 -9.967 -15.667 -5.350 1.00 0.00 C ATOM 1373 O TYR A 88 -10.098 -16.882 -5.203 1.00 0.00 O ATOM 1374 CB TYR A 88 -9.534 -14.296 -3.316 1.00 0.00 C ATOM 1375 CG TYR A 88 -9.331 -15.131 -2.050 1.00 0.00 C ATOM 1376 CD1 TYR A 88 -9.737 -16.450 -2.020 1.00 0.00 C ATOM 1377 CD2 TYR A 88 -8.742 -14.566 -0.937 1.00 0.00 C ATOM 1378 CE1 TYR A 88 -9.546 -17.236 -0.829 1.00 0.00 C ATOM 1379 CE2 TYR A 88 -8.551 -15.351 0.254 1.00 0.00 C ATOM 1380 CZ TYR A 88 -8.962 -16.648 0.250 1.00 0.00 C ATOM 1381 OH TYR A 88 -8.782 -17.390 1.375 1.00 0.00 O ATOM 0 H TYR A 88 -8.183 -12.945 -4.795 1.00 0.00 H new ATOM 0 HA TYR A 88 -8.095 -15.599 -4.334 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.118 -13.302 -3.154 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -10.603 -14.170 -3.488 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -10.198 -16.893 -2.891 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.424 -13.534 -0.960 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -9.859 -18.269 -0.793 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -8.092 -14.920 1.131 1.00 0.00 H new ATOM 0 HH TYR A 88 -8.353 -16.841 2.064 1.00 0.00 H new ATOM 1391 N VAL A 89 -10.705 -14.926 -6.163 1.00 0.00 N ATOM 1392 CA VAL A 89 -11.759 -15.521 -6.967 1.00 0.00 C ATOM 1393 C VAL A 89 -11.155 -16.583 -7.888 1.00 0.00 C ATOM 1394 O VAL A 89 -10.250 -16.291 -8.668 1.00 0.00 O ATOM 1395 CB VAL A 89 -12.515 -14.430 -7.729 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -11.652 -13.844 -8.848 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -13.839 -14.963 -8.280 1.00 0.00 C ATOM 0 H VAL A 89 -10.594 -13.919 -6.282 1.00 0.00 H new ATOM 0 HA VAL A 89 -12.489 -16.020 -6.330 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.743 -13.628 -7.027 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -12.213 -13.071 -9.373 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.748 -13.409 -8.421 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.379 -14.633 -9.548 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -14.356 -14.168 -8.817 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -13.643 -15.792 -8.960 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -14.463 -15.310 -7.456 1.00 0.00 H new ATOM 1407 N LYS A 90 -11.680 -17.793 -7.767 1.00 0.00 N ATOM 1408 CA LYS A 90 -11.204 -18.900 -8.578 1.00 0.00 C ATOM 1409 C LYS A 90 -10.969 -18.414 -10.010 1.00 0.00 C ATOM 1410 O LYS A 90 -9.834 -18.140 -10.398 1.00 0.00 O ATOM 1411 CB LYS A 90 -12.164 -20.088 -8.482 1.00 0.00 C ATOM 1412 CG LYS A 90 -11.446 -21.333 -7.958 1.00 0.00 C ATOM 1413 CD LYS A 90 -12.444 -22.446 -7.635 1.00 0.00 C ATOM 1414 CE LYS A 90 -11.910 -23.808 -8.082 1.00 0.00 C ATOM 1415 NZ LYS A 90 -12.841 -24.887 -7.681 1.00 0.00 N ATOM 0 H LYS A 90 -12.431 -18.031 -7.119 1.00 0.00 H new ATOM 0 HA LYS A 90 -10.247 -19.262 -8.202 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -12.994 -19.837 -7.821 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.590 -20.296 -9.463 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.731 -21.685 -8.702 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.877 -21.079 -7.064 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -12.641 -22.463 -6.563 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.393 -22.243 -8.131 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.779 -23.816 -9.164 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.929 -23.983 -7.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -12.463 -25.805 -7.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.946 -24.888 -6.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -13.769 -24.727 -8.123 1.00 0.00 H new ATOM 1429 N ARG A 91 -12.060 -18.321 -10.756 1.00 0.00 N ATOM 1430 CA ARG A 91 -11.987 -17.873 -12.136 1.00 0.00 C ATOM 1431 C ARG A 91 -13.379 -17.883 -12.771 1.00 0.00 C ATOM 1432 O ARG A 91 -13.577 -18.472 -13.833 1.00 0.00 O ATOM 1433 CB ARG A 91 -11.053 -18.764 -12.956 1.00 0.00 C ATOM 1434 CG ARG A 91 -10.214 -17.932 -13.928 1.00 0.00 C ATOM 1435 CD ARG A 91 -10.460 -18.365 -15.375 1.00 0.00 C ATOM 1436 NE ARG A 91 -11.249 -17.334 -16.085 1.00 0.00 N ATOM 1437 CZ ARG A 91 -11.224 -17.149 -17.422 1.00 0.00 C ATOM 1438 NH1 ARG A 91 -10.447 -17.926 -18.207 1.00 0.00 N ATOM 1439 NH2 ARG A 91 -11.969 -16.197 -17.951 1.00 0.00 N ATOM 0 H ARG A 91 -13.000 -18.548 -10.431 1.00 0.00 H new ATOM 0 HA ARG A 91 -11.592 -16.857 -12.135 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.396 -19.321 -12.288 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -11.638 -19.497 -13.511 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.459 -16.876 -13.814 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.157 -18.041 -13.687 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -9.508 -18.521 -15.883 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -10.990 -19.317 -15.393 1.00 0.00 H new ATOM 0 HE ARG A 91 -11.849 -16.725 -15.529 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -9.873 -18.659 -17.791 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -10.434 -17.780 -19.216 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -12.553 -15.614 -17.351 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -11.961 -16.044 -18.960 1.00 0.00 H new ATOM 1453 N MET A 92 -14.308 -17.223 -12.095 1.00 0.00 N ATOM 1454 CA MET A 92 -15.676 -17.149 -12.580 1.00 0.00 C ATOM 1455 C MET A 92 -16.285 -18.545 -12.719 1.00 0.00 C ATOM 1456 O MET A 92 -15.777 -19.377 -13.469 1.00 0.00 O ATOM 1457 CB MET A 92 -15.698 -16.445 -13.939 1.00 0.00 C ATOM 1458 CG MET A 92 -15.682 -14.924 -13.768 1.00 0.00 C ATOM 1459 SD MET A 92 -14.006 -14.317 -13.862 1.00 0.00 S ATOM 1460 CE MET A 92 -14.315 -12.629 -14.354 1.00 0.00 C ATOM 0 H MET A 92 -14.140 -16.735 -11.215 1.00 0.00 H new ATOM 0 HA MET A 92 -16.267 -16.585 -11.858 1.00 0.00 H new ATOM 0 HB2 MET A 92 -14.836 -16.758 -14.529 1.00 0.00 H new ATOM 0 HB3 MET A 92 -16.588 -16.743 -14.493 1.00 0.00 H new ATOM 0 HG2 MET A 92 -16.291 -14.456 -14.542 1.00 0.00 H new ATOM 0 HG3 MET A 92 -16.122 -14.653 -12.809 1.00 0.00 H new ATOM 0 HE1 MET A 92 -13.367 -12.101 -14.459 1.00 0.00 H new ATOM 0 HE2 MET A 92 -14.844 -12.619 -15.307 1.00 0.00 H new ATOM 0 HE3 MET A 92 -14.923 -12.135 -13.596 1.00 0.00 H new ATOM 1470 N ALA A 93 -17.366 -18.760 -11.984 1.00 0.00 N ATOM 1471 CA ALA A 93 -18.050 -20.042 -12.015 1.00 0.00 C ATOM 1472 C ALA A 93 -19.541 -19.825 -11.749 1.00 0.00 C ATOM 1473 O ALA A 93 -20.383 -20.217 -12.557 1.00 0.00 O ATOM 1474 CB ALA A 93 -17.408 -20.988 -10.999 1.00 0.00 C ATOM 0 H ALA A 93 -17.785 -18.068 -11.363 1.00 0.00 H new ATOM 0 HA ALA A 93 -17.954 -20.505 -12.997 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -17.921 -21.949 -11.022 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -16.357 -21.131 -11.249 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -17.488 -20.558 -10.001 1.00 0.00 H new ATOM 1480 N GLN A 94 -19.823 -19.203 -10.614 1.00 0.00 N ATOM 1481 CA GLN A 94 -21.198 -18.930 -10.232 1.00 0.00 C ATOM 1482 C GLN A 94 -21.274 -17.649 -9.399 1.00 0.00 C ATOM 1483 O GLN A 94 -21.385 -17.706 -8.175 1.00 0.00 O ATOM 1484 CB GLN A 94 -21.802 -20.114 -9.473 1.00 0.00 C ATOM 1485 CG GLN A 94 -22.799 -20.876 -10.348 1.00 0.00 C ATOM 1486 CD GLN A 94 -23.873 -21.552 -9.494 1.00 0.00 C ATOM 1487 OE1 GLN A 94 -24.138 -21.169 -8.366 1.00 0.00 O ATOM 1488 NE2 GLN A 94 -24.475 -22.576 -10.092 1.00 0.00 N ATOM 0 H GLN A 94 -19.123 -18.880 -9.946 1.00 0.00 H new ATOM 0 HA GLN A 94 -21.784 -18.785 -11.140 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -21.008 -20.787 -9.150 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -22.302 -19.756 -8.573 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -23.268 -20.190 -11.053 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -22.272 -21.627 -10.937 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -24.205 -22.844 -11.038 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -25.207 -23.093 -9.604 1.00 0.00 H new ATOM 1497 N ASP A 95 -21.210 -16.524 -10.096 1.00 0.00 N ATOM 1498 CA ASP A 95 -21.270 -15.231 -9.436 1.00 0.00 C ATOM 1499 C ASP A 95 -22.056 -14.252 -10.310 1.00 0.00 C ATOM 1500 O ASP A 95 -23.032 -13.657 -9.859 1.00 0.00 O ATOM 1501 CB ASP A 95 -19.868 -14.655 -9.224 1.00 0.00 C ATOM 1502 CG ASP A 95 -19.701 -13.808 -7.962 1.00 0.00 C ATOM 1503 OD1 ASP A 95 -20.653 -13.613 -7.192 1.00 0.00 O ATOM 1504 OD2 ASP A 95 -18.516 -13.330 -7.779 1.00 0.00 O ATOM 0 H ASP A 95 -21.117 -16.481 -11.111 1.00 0.00 H new ATOM 0 HA ASP A 95 -21.754 -15.369 -8.469 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -19.155 -15.479 -9.188 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -19.607 -14.046 -10.089 1.00 0.00 H new ATOM 1509 N ALA A 96 -21.600 -14.117 -11.547 1.00 0.00 N ATOM 1510 CA ALA A 96 -22.248 -13.220 -12.489 1.00 0.00 C ATOM 1511 C ALA A 96 -23.236 -14.015 -13.346 1.00 0.00 C ATOM 1512 O ALA A 96 -24.442 -13.782 -13.287 1.00 0.00 O ATOM 1513 CB ALA A 96 -21.187 -12.510 -13.331 1.00 0.00 C ATOM 0 H ALA A 96 -20.790 -14.613 -11.918 1.00 0.00 H new ATOM 0 HA ALA A 96 -22.813 -12.452 -11.961 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -21.673 -11.837 -14.037 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -20.528 -11.937 -12.679 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -20.602 -13.249 -13.878 1.00 0.00 H new ATOM 1519 N GLY A 97 -22.687 -14.938 -14.122 1.00 0.00 N ATOM 1520 CA GLY A 97 -23.504 -15.769 -14.990 1.00 0.00 C ATOM 1521 C GLY A 97 -23.796 -17.122 -14.338 1.00 0.00 C ATOM 1522 O GLY A 97 -22.902 -17.745 -13.767 1.00 0.00 O ATOM 0 H GLY A 97 -21.686 -15.129 -14.168 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -24.441 -15.258 -15.212 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -22.992 -15.922 -15.940 1.00 0.00 H new ATOM 1526 N GLU A 98 -25.049 -17.537 -14.445 1.00 0.00 N ATOM 1527 CA GLU A 98 -25.469 -18.805 -13.873 1.00 0.00 C ATOM 1528 C GLU A 98 -25.226 -19.942 -14.868 1.00 0.00 C ATOM 1529 O GLU A 98 -25.824 -19.971 -15.942 1.00 0.00 O ATOM 1530 CB GLU A 98 -26.938 -18.754 -13.447 1.00 0.00 C ATOM 1531 CG GLU A 98 -27.238 -19.816 -12.387 1.00 0.00 C ATOM 1532 CD GLU A 98 -28.697 -20.269 -12.462 1.00 0.00 C ATOM 1533 OE1 GLU A 98 -29.029 -20.858 -13.561 1.00 0.00 O ATOM 1534 OE2 GLU A 98 -29.462 -20.059 -11.509 1.00 0.00 O ATOM 0 H GLU A 98 -25.788 -17.018 -14.919 1.00 0.00 H new ATOM 0 HA GLU A 98 -24.872 -18.995 -12.981 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -27.172 -17.765 -13.053 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -27.578 -18.911 -14.315 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -26.580 -20.673 -12.529 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -27.029 -19.415 -11.395 1.00 0.00 H new ATOM 1541 N LYS A 99 -24.347 -20.852 -14.474 1.00 0.00 N ATOM 1542 CA LYS A 99 -24.017 -21.989 -15.317 1.00 0.00 C ATOM 1543 C LYS A 99 -25.156 -23.009 -15.258 1.00 0.00 C ATOM 1544 O LYS A 99 -25.040 -24.036 -14.592 1.00 0.00 O ATOM 1545 CB LYS A 99 -22.654 -22.566 -14.929 1.00 0.00 C ATOM 1546 CG LYS A 99 -21.873 -23.007 -16.169 1.00 0.00 C ATOM 1547 CD LYS A 99 -20.417 -22.543 -16.093 1.00 0.00 C ATOM 1548 CE LYS A 99 -19.817 -22.391 -17.493 1.00 0.00 C ATOM 1549 NZ LYS A 99 -20.116 -21.049 -18.041 1.00 0.00 N ATOM 0 H LYS A 99 -23.853 -20.825 -13.582 1.00 0.00 H new ATOM 0 HA LYS A 99 -23.921 -21.677 -16.357 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -22.081 -21.818 -14.381 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -22.792 -23.416 -14.260 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -21.908 -24.093 -16.258 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -22.343 -22.598 -17.064 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -20.362 -21.591 -15.564 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -19.832 -23.261 -15.519 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -18.738 -22.541 -17.451 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -20.221 -23.158 -18.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -19.702 -20.962 -18.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -21.146 -20.919 -18.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -19.710 -20.321 -17.419 1.00 0.00 H new TER 1563 LYS A 99