USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 677 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+ -169:sc= 0 (180deg=-0.142) USER MOD Single : A 2 GLN : amide:sc= 1.35 K(o=1.4,f=-0.29) USER MOD Single : A 3 TYR OH : rot 136:sc= 0.00642 USER MOD Single : A 4 THR OG1 : rot 170:sc= -0.425 USER MOD Single : A 7 THR OG1 : rot -117:sc= 1.25 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.875 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.186 K(o=-0.19,f=-2!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 144:sc= -0.206 (180deg=-1.39) USER MOD Single : A 35 SER OG : rot -112:sc= 0.0591 USER MOD Single : A 36 SER OG : rot 26:sc= 0.587 USER MOD Single : A 38 ASN : amide:sc= -1.37! C(o=-1.4!,f=-10!) USER MOD Single : A 50 HIS : no HD1:sc= -5.69! C(o=-5.7!,f=-8.8!) USER MOD Single : A 53 THR OG1 : rot 90:sc= -1.8 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.0099) USER MOD Single : A 79 HIS : no HD1:sc= 0.615 K(o=0.61,f=-5!) USER MOD Single : A 80 HIS : no HD1:sc= -0.118 K(o=-0.12,f=-0.69) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 82 HIS : no HE2:sc= -0.187 K(o=-0.19,f=-8!) USER MOD Single : A 83 HIS : no HD1:sc= 0.0392 K(o=0.039,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.592 -16.083 -11.782 1.00 0.00 N ATOM 2 CA MET A 1 -18.602 -17.360 -11.012 1.00 0.00 C ATOM 3 C MET A 1 -17.211 -17.605 -10.435 1.00 0.00 C ATOM 4 O MET A 1 -17.068 -18.001 -9.278 1.00 0.00 O ATOM 5 CB MET A 1 -18.990 -18.510 -11.948 1.00 0.00 C ATOM 6 CG MET A 1 -19.110 -19.817 -11.154 1.00 0.00 C ATOM 7 SD MET A 1 -20.507 -19.699 -10.000 1.00 0.00 S ATOM 8 CE MET A 1 -21.597 -20.910 -10.797 1.00 0.00 C ATOM 0 H1 MET A 1 -19.568 -15.813 -12.020 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.156 -15.334 -11.207 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.045 -16.210 -12.657 1.00 0.00 H new ATOM 0 HA MET A 1 -19.325 -17.301 -10.198 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.937 -18.286 -12.440 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.241 -18.619 -12.733 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.256 -20.656 -11.834 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.187 -20.008 -10.606 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.527 -20.989 -10.234 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.816 -20.588 -11.815 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.104 -21.882 -10.822 1.00 0.00 H new ATOM 20 N GLN A 2 -16.189 -17.370 -11.252 1.00 0.00 N ATOM 21 CA GLN A 2 -14.812 -17.574 -10.817 1.00 0.00 C ATOM 22 C GLN A 2 -14.454 -16.618 -9.691 1.00 0.00 C ATOM 23 O GLN A 2 -13.651 -16.943 -8.818 1.00 0.00 O ATOM 24 CB GLN A 2 -13.853 -17.362 -11.991 1.00 0.00 C ATOM 25 CG GLN A 2 -13.932 -15.913 -12.480 1.00 0.00 C ATOM 26 CD GLN A 2 -12.986 -15.719 -13.653 1.00 0.00 C ATOM 27 OE1 GLN A 2 -13.377 -15.896 -14.808 1.00 0.00 O ATOM 28 NE2 GLN A 2 -11.753 -15.370 -13.420 1.00 0.00 N ATOM 0 H GLN A 2 -16.287 -17.040 -12.212 1.00 0.00 H new ATOM 0 HA GLN A 2 -14.719 -18.597 -10.451 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.833 -17.595 -11.684 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -14.105 -18.043 -12.804 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -14.953 -15.675 -12.780 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -13.670 -15.231 -11.671 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -11.436 -15.225 -12.461 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.104 -15.241 -14.196 1.00 0.00 H new ATOM 37 N TYR A 3 -15.042 -15.432 -9.731 1.00 0.00 N ATOM 38 CA TYR A 3 -14.766 -14.425 -8.719 1.00 0.00 C ATOM 39 C TYR A 3 -15.285 -14.897 -7.370 1.00 0.00 C ATOM 40 O TYR A 3 -16.426 -15.345 -7.258 1.00 0.00 O ATOM 41 CB TYR A 3 -15.457 -13.118 -9.107 1.00 0.00 C ATOM 42 CG TYR A 3 -14.971 -12.682 -10.468 1.00 0.00 C ATOM 43 CD1 TYR A 3 -15.551 -13.231 -11.620 1.00 0.00 C ATOM 44 CD2 TYR A 3 -13.945 -11.738 -10.585 1.00 0.00 C ATOM 45 CE1 TYR A 3 -15.106 -12.835 -12.886 1.00 0.00 C ATOM 46 CE2 TYR A 3 -13.503 -11.344 -11.851 1.00 0.00 C ATOM 47 CZ TYR A 3 -14.082 -11.890 -13.002 1.00 0.00 C ATOM 48 OH TYR A 3 -13.643 -11.498 -14.250 1.00 0.00 O ATOM 0 H TYR A 3 -15.708 -15.145 -10.448 1.00 0.00 H new ATOM 0 HA TYR A 3 -13.690 -14.263 -8.650 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -16.538 -13.255 -9.121 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -15.243 -12.347 -8.367 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -16.342 -13.961 -11.530 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -13.496 -11.315 -9.699 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -15.553 -13.259 -13.773 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -12.711 -10.615 -11.941 1.00 0.00 H new ATOM 0 HH TYR A 3 -13.533 -10.524 -14.267 1.00 0.00 H new ATOM 58 N THR A 4 -14.440 -14.807 -6.346 1.00 0.00 N ATOM 59 CA THR A 4 -14.825 -15.245 -5.000 1.00 0.00 C ATOM 60 C THR A 4 -14.206 -14.315 -3.952 1.00 0.00 C ATOM 61 O THR A 4 -13.181 -13.684 -4.206 1.00 0.00 O ATOM 62 CB THR A 4 -14.361 -16.705 -4.756 1.00 0.00 C ATOM 63 OG1 THR A 4 -13.288 -16.721 -3.823 1.00 0.00 O ATOM 64 CG2 THR A 4 -13.892 -17.347 -6.066 1.00 0.00 C ATOM 0 H THR A 4 -13.492 -14.439 -6.417 1.00 0.00 H new ATOM 0 HA THR A 4 -15.911 -15.205 -4.914 1.00 0.00 H new ATOM 0 HB THR A 4 -15.205 -17.271 -4.362 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.106 -17.644 -3.550 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.570 -18.371 -5.875 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.713 -17.353 -6.783 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.058 -16.775 -6.474 1.00 0.00 H new ATOM 72 N PRO A 5 -14.807 -14.214 -2.789 1.00 0.00 N ATOM 73 CA PRO A 5 -14.294 -13.333 -1.693 1.00 0.00 C ATOM 74 C PRO A 5 -12.928 -13.789 -1.181 1.00 0.00 C ATOM 75 O PRO A 5 -12.102 -12.970 -0.780 1.00 0.00 O ATOM 76 CB PRO A 5 -15.373 -13.444 -0.598 1.00 0.00 C ATOM 77 CG PRO A 5 -16.069 -14.740 -0.870 1.00 0.00 C ATOM 78 CD PRO A 5 -16.027 -14.929 -2.386 1.00 0.00 C ATOM 0 HA PRO A 5 -14.135 -12.308 -2.028 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -14.928 -13.436 0.397 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -16.068 -12.606 -0.643 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -15.572 -15.565 -0.360 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -17.097 -14.715 -0.508 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -15.982 -15.984 -2.658 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -16.913 -14.514 -2.867 1.00 0.00 H new ATOM 86 N ASP A 6 -12.697 -15.103 -1.199 1.00 0.00 N ATOM 87 CA ASP A 6 -11.425 -15.662 -0.734 1.00 0.00 C ATOM 88 C ASP A 6 -10.928 -16.750 -1.683 1.00 0.00 C ATOM 89 O ASP A 6 -11.287 -17.919 -1.544 1.00 0.00 O ATOM 90 CB ASP A 6 -11.601 -16.255 0.667 1.00 0.00 C ATOM 91 CG ASP A 6 -12.646 -17.364 0.635 1.00 0.00 C ATOM 92 OD1 ASP A 6 -13.298 -17.509 -0.386 1.00 0.00 O ATOM 93 OD2 ASP A 6 -12.779 -18.056 1.632 1.00 0.00 O ATOM 0 H ASP A 6 -13.369 -15.796 -1.528 1.00 0.00 H new ATOM 0 HA ASP A 6 -10.689 -14.858 -0.707 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.651 -16.650 1.026 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -11.907 -15.476 1.365 1.00 0.00 H new ATOM 98 N THR A 7 -10.082 -16.362 -2.635 1.00 0.00 N ATOM 99 CA THR A 7 -9.520 -17.317 -3.594 1.00 0.00 C ATOM 100 C THR A 7 -8.060 -16.990 -3.862 1.00 0.00 C ATOM 101 O THR A 7 -7.652 -15.832 -3.794 1.00 0.00 O ATOM 102 CB THR A 7 -10.291 -17.271 -4.916 1.00 0.00 C ATOM 103 OG1 THR A 7 -9.653 -18.118 -5.861 1.00 0.00 O ATOM 104 CG2 THR A 7 -10.312 -15.839 -5.449 1.00 0.00 C ATOM 0 H THR A 7 -9.771 -15.399 -2.765 1.00 0.00 H new ATOM 0 HA THR A 7 -9.602 -18.316 -3.165 1.00 0.00 H new ATOM 0 HB THR A 7 -11.314 -17.610 -4.752 1.00 0.00 H new ATOM 0 HG1 THR A 7 -9.334 -17.582 -6.617 1.00 0.00 H new ATOM 0 HG21 THR A 7 -10.861 -15.809 -6.390 1.00 0.00 H new ATOM 0 HG22 THR A 7 -10.799 -15.188 -4.723 1.00 0.00 H new ATOM 0 HG23 THR A 7 -9.290 -15.497 -5.614 1.00 0.00 H new ATOM 112 N ALA A 8 -7.282 -18.014 -4.189 1.00 0.00 N ATOM 113 CA ALA A 8 -5.862 -17.823 -4.493 1.00 0.00 C ATOM 114 C ALA A 8 -5.666 -17.826 -5.999 1.00 0.00 C ATOM 115 O ALA A 8 -5.686 -18.878 -6.633 1.00 0.00 O ATOM 116 CB ALA A 8 -5.036 -18.950 -3.869 1.00 0.00 C ATOM 0 H ALA A 8 -7.603 -18.980 -4.251 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.532 -16.870 -4.080 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -3.982 -18.799 -4.100 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.174 -18.947 -2.788 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.363 -19.908 -4.274 1.00 0.00 H new ATOM 122 N TRP A 9 -5.497 -16.635 -6.575 1.00 0.00 N ATOM 123 CA TRP A 9 -5.319 -16.510 -8.024 1.00 0.00 C ATOM 124 C TRP A 9 -3.841 -16.365 -8.363 1.00 0.00 C ATOM 125 O TRP A 9 -3.142 -15.525 -7.796 1.00 0.00 O ATOM 126 CB TRP A 9 -6.092 -15.286 -8.546 1.00 0.00 C ATOM 127 CG TRP A 9 -7.556 -15.600 -8.664 1.00 0.00 C ATOM 128 CD1 TRP A 9 -8.205 -16.579 -7.989 1.00 0.00 C ATOM 129 CD2 TRP A 9 -8.564 -14.951 -9.498 1.00 0.00 C ATOM 130 NE1 TRP A 9 -9.536 -16.568 -8.348 1.00 0.00 N ATOM 131 CE2 TRP A 9 -9.808 -15.585 -9.273 1.00 0.00 C ATOM 132 CE3 TRP A 9 -8.521 -13.884 -10.416 1.00 0.00 C ATOM 133 CZ2 TRP A 9 -10.967 -15.180 -9.931 1.00 0.00 C ATOM 134 CZ3 TRP A 9 -9.688 -13.473 -11.083 1.00 0.00 C ATOM 135 CH2 TRP A 9 -10.908 -14.119 -10.840 1.00 0.00 C ATOM 0 H TRP A 9 -5.479 -15.751 -6.067 1.00 0.00 H new ATOM 0 HA TRP A 9 -5.706 -17.410 -8.501 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -5.948 -14.443 -7.871 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -5.699 -14.987 -9.518 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -7.752 -17.259 -7.283 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -10.235 -17.210 -7.974 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -7.586 -13.379 -10.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -11.904 -15.682 -9.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -9.644 -12.655 -11.787 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -11.802 -13.798 -11.354 1.00 0.00 H new ATOM 146 N LYS A 10 -3.378 -17.186 -9.300 1.00 0.00 N ATOM 147 CA LYS A 10 -1.985 -17.144 -9.724 1.00 0.00 C ATOM 148 C LYS A 10 -1.806 -16.093 -10.807 1.00 0.00 C ATOM 149 O LYS A 10 -2.626 -15.990 -11.717 1.00 0.00 O ATOM 150 CB LYS A 10 -1.559 -18.512 -10.255 1.00 0.00 C ATOM 151 CG LYS A 10 -0.056 -18.495 -10.554 1.00 0.00 C ATOM 152 CD LYS A 10 0.394 -19.867 -11.079 1.00 0.00 C ATOM 153 CE LYS A 10 0.528 -20.868 -9.925 1.00 0.00 C ATOM 154 NZ LYS A 10 1.186 -22.105 -10.428 1.00 0.00 N ATOM 0 H LYS A 10 -3.945 -17.886 -9.778 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.362 -16.885 -8.868 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.787 -19.286 -9.522 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.118 -18.754 -11.159 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.167 -17.724 -11.291 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.499 -18.243 -9.651 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.327 -20.238 -11.808 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.349 -19.770 -11.596 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.114 -20.433 -9.116 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.454 -21.104 -9.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.280 -22.789 -9.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.609 -22.521 -11.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.129 -21.870 -10.799 1.00 0.00 H new ATOM 168 N ILE A 11 -0.741 -15.307 -10.699 1.00 0.00 N ATOM 169 CA ILE A 11 -0.476 -14.253 -11.673 1.00 0.00 C ATOM 170 C ILE A 11 0.404 -14.794 -12.795 1.00 0.00 C ATOM 171 O ILE A 11 1.527 -15.233 -12.551 1.00 0.00 O ATOM 172 CB ILE A 11 0.242 -13.084 -10.987 1.00 0.00 C ATOM 173 CG1 ILE A 11 -0.499 -12.697 -9.706 1.00 0.00 C ATOM 174 CG2 ILE A 11 0.253 -11.874 -11.923 1.00 0.00 C ATOM 175 CD1 ILE A 11 0.356 -11.718 -8.900 1.00 0.00 C ATOM 0 H ILE A 11 -0.050 -15.378 -9.952 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.423 -13.908 -12.088 1.00 0.00 H new ATOM 0 HB ILE A 11 1.261 -13.388 -10.748 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.459 -12.242 -9.951 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.710 -13.586 -9.112 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.763 -11.042 -11.437 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.776 -12.131 -12.844 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.772 -11.585 -12.156 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.171 -11.441 -7.987 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.305 -12.190 -8.643 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.545 -10.824 -9.495 1.00 0.00 H new ATOM 187 N THR A 12 -0.110 -14.766 -14.025 1.00 0.00 N ATOM 188 CA THR A 12 0.647 -15.256 -15.178 1.00 0.00 C ATOM 189 C THR A 12 1.223 -14.086 -15.970 1.00 0.00 C ATOM 190 O THR A 12 2.379 -14.119 -16.394 1.00 0.00 O ATOM 191 CB THR A 12 -0.267 -16.087 -16.079 1.00 0.00 C ATOM 192 OG1 THR A 12 -0.695 -17.245 -15.374 1.00 0.00 O ATOM 193 CG2 THR A 12 0.488 -16.506 -17.342 1.00 0.00 C ATOM 0 H THR A 12 -1.040 -14.412 -14.248 1.00 0.00 H new ATOM 0 HA THR A 12 1.468 -15.877 -14.821 1.00 0.00 H new ATOM 0 HB THR A 12 -1.133 -15.490 -16.364 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.283 -17.779 -15.948 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.169 -17.098 -17.979 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.814 -15.617 -17.883 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.358 -17.102 -17.065 1.00 0.00 H new ATOM 201 N GLY A 13 0.407 -13.052 -16.162 1.00 0.00 N ATOM 202 CA GLY A 13 0.840 -11.870 -16.902 1.00 0.00 C ATOM 203 C GLY A 13 -0.351 -11.125 -17.488 1.00 0.00 C ATOM 204 O GLY A 13 -1.504 -11.467 -17.228 1.00 0.00 O ATOM 0 H GLY A 13 -0.552 -13.009 -15.818 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.398 -11.207 -16.241 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.518 -12.166 -17.703 1.00 0.00 H new ATOM 208 N PHE A 14 -0.061 -10.100 -18.284 1.00 0.00 N ATOM 209 CA PHE A 14 -1.108 -9.299 -18.916 1.00 0.00 C ATOM 210 C PHE A 14 -1.392 -9.814 -20.325 1.00 0.00 C ATOM 211 O PHE A 14 -0.545 -10.457 -20.946 1.00 0.00 O ATOM 212 CB PHE A 14 -0.673 -7.827 -18.980 1.00 0.00 C ATOM 213 CG PHE A 14 0.826 -7.749 -19.131 1.00 0.00 C ATOM 214 CD1 PHE A 14 1.649 -7.900 -18.010 1.00 0.00 C ATOM 215 CD2 PHE A 14 1.391 -7.516 -20.389 1.00 0.00 C ATOM 216 CE1 PHE A 14 3.041 -7.822 -18.147 1.00 0.00 C ATOM 217 CE2 PHE A 14 2.782 -7.436 -20.527 1.00 0.00 C ATOM 218 CZ PHE A 14 3.607 -7.587 -19.405 1.00 0.00 C ATOM 0 H PHE A 14 0.889 -9.804 -18.507 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.018 -9.381 -18.321 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.160 -7.330 -19.819 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.985 -7.305 -18.075 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.211 -8.077 -17.039 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.755 -7.398 -21.254 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.677 -7.943 -17.282 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.219 -7.258 -21.498 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.680 -7.522 -19.511 1.00 0.00 H new ATOM 228 N SER A 15 -2.587 -9.518 -20.823 1.00 0.00 N ATOM 229 CA SER A 15 -2.982 -9.943 -22.162 1.00 0.00 C ATOM 230 C SER A 15 -2.498 -8.943 -23.207 1.00 0.00 C ATOM 231 O SER A 15 -1.998 -7.873 -22.869 1.00 0.00 O ATOM 232 CB SER A 15 -4.501 -10.060 -22.242 1.00 0.00 C ATOM 233 OG SER A 15 -4.899 -10.064 -23.607 1.00 0.00 O ATOM 0 H SER A 15 -3.298 -8.986 -20.321 1.00 0.00 H new ATOM 0 HA SER A 15 -2.527 -10.913 -22.363 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.833 -10.975 -21.751 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.970 -9.228 -21.717 1.00 0.00 H new ATOM 0 HG SER A 15 -5.874 -10.141 -23.663 1.00 0.00 H new ATOM 239 N ARG A 16 -2.649 -9.300 -24.476 1.00 0.00 N ATOM 240 CA ARG A 16 -2.227 -8.422 -25.559 1.00 0.00 C ATOM 241 C ARG A 16 -3.112 -7.179 -25.628 1.00 0.00 C ATOM 242 O ARG A 16 -2.633 -6.079 -25.904 1.00 0.00 O ATOM 243 CB ARG A 16 -2.285 -9.169 -26.891 1.00 0.00 C ATOM 244 CG ARG A 16 -1.174 -10.219 -26.931 1.00 0.00 C ATOM 245 CD ARG A 16 -1.243 -10.980 -28.254 1.00 0.00 C ATOM 246 NE ARG A 16 -2.460 -11.782 -28.311 1.00 0.00 N ATOM 247 CZ ARG A 16 -2.801 -12.431 -29.418 1.00 0.00 C ATOM 248 NH1 ARG A 16 -2.044 -12.354 -30.479 1.00 0.00 N ATOM 249 NH2 ARG A 16 -3.894 -13.143 -29.447 1.00 0.00 N ATOM 0 H ARG A 16 -3.057 -10.184 -24.779 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.202 -8.108 -25.363 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.257 -9.647 -27.011 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.170 -8.469 -27.719 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.201 -9.739 -26.825 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.281 -10.910 -26.095 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.222 -10.278 -29.087 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.369 -11.624 -28.358 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.059 -11.845 -27.487 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.191 -11.795 -30.457 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.306 -12.853 -31.330 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.487 -13.201 -28.619 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.156 -13.641 -30.298 1.00 0.00 H new ATOM 263 N GLU A 17 -4.408 -7.365 -25.388 1.00 0.00 N ATOM 264 CA GLU A 17 -5.355 -6.254 -25.437 1.00 0.00 C ATOM 265 C GLU A 17 -5.224 -5.385 -24.185 1.00 0.00 C ATOM 266 O GLU A 17 -5.853 -4.332 -24.077 1.00 0.00 O ATOM 267 CB GLU A 17 -6.786 -6.800 -25.545 1.00 0.00 C ATOM 268 CG GLU A 17 -7.720 -5.722 -26.108 1.00 0.00 C ATOM 269 CD GLU A 17 -7.417 -5.494 -27.585 1.00 0.00 C ATOM 270 OE1 GLU A 17 -6.626 -6.246 -28.130 1.00 0.00 O ATOM 271 OE2 GLU A 17 -7.982 -4.572 -28.150 1.00 0.00 O ATOM 0 H GLU A 17 -4.824 -8.268 -25.159 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.134 -5.641 -26.311 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.801 -7.678 -26.190 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.137 -7.120 -24.564 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.759 -6.027 -25.984 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.593 -4.792 -25.554 1.00 0.00 H new ATOM 278 N ILE A 18 -4.401 -5.831 -23.240 1.00 0.00 N ATOM 279 CA ILE A 18 -4.199 -5.084 -22.000 1.00 0.00 C ATOM 280 C ILE A 18 -4.083 -3.591 -22.286 1.00 0.00 C ATOM 281 O ILE A 18 -3.584 -3.187 -23.337 1.00 0.00 O ATOM 282 CB ILE A 18 -2.929 -5.570 -21.298 1.00 0.00 C ATOM 283 CG1 ILE A 18 -2.778 -4.873 -19.935 1.00 0.00 C ATOM 284 CG2 ILE A 18 -1.717 -5.248 -22.172 1.00 0.00 C ATOM 285 CD1 ILE A 18 -3.938 -5.260 -19.004 1.00 0.00 C ATOM 0 H ILE A 18 -3.867 -6.698 -23.307 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.060 -5.253 -21.353 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.996 -6.646 -21.140 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.828 -5.153 -19.479 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.759 -3.792 -20.072 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.809 -5.592 -21.676 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.818 -5.751 -23.134 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.658 -4.171 -22.330 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.817 -4.759 -18.044 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.883 -4.957 -19.455 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.938 -6.339 -18.852 1.00 0.00 H new ATOM 297 N SER A 19 -4.552 -2.777 -21.347 1.00 0.00 N ATOM 298 CA SER A 19 -4.500 -1.331 -21.512 1.00 0.00 C ATOM 299 C SER A 19 -3.068 -0.821 -21.315 1.00 0.00 C ATOM 300 O SER A 19 -2.260 -1.461 -20.642 1.00 0.00 O ATOM 301 CB SER A 19 -5.454 -0.665 -20.507 1.00 0.00 C ATOM 302 OG SER A 19 -6.681 -0.372 -21.159 1.00 0.00 O ATOM 0 H SER A 19 -4.969 -3.091 -20.471 1.00 0.00 H new ATOM 0 HA SER A 19 -4.814 -1.075 -22.524 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.627 -1.326 -19.658 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.009 0.249 -20.114 1.00 0.00 H new ATOM 0 HG SER A 19 -7.296 0.052 -20.524 1.00 0.00 H new ATOM 308 N PRO A 20 -2.747 0.314 -21.884 1.00 0.00 N ATOM 309 CA PRO A 20 -1.385 0.916 -21.764 1.00 0.00 C ATOM 310 C PRO A 20 -1.054 1.304 -20.321 1.00 0.00 C ATOM 311 O PRO A 20 0.110 1.291 -19.917 1.00 0.00 O ATOM 312 CB PRO A 20 -1.450 2.155 -22.682 1.00 0.00 C ATOM 313 CG PRO A 20 -2.907 2.483 -22.789 1.00 0.00 C ATOM 314 CD PRO A 20 -3.645 1.150 -22.698 1.00 0.00 C ATOM 0 HA PRO A 20 -0.598 0.219 -22.050 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -0.888 2.988 -22.260 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -1.020 1.944 -23.661 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.216 3.155 -21.989 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.126 2.987 -23.731 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.622 1.264 -22.229 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -3.813 0.716 -23.684 1.00 0.00 H new ATOM 322 N ALA A 21 -2.082 1.654 -19.554 1.00 0.00 N ATOM 323 CA ALA A 21 -1.887 2.051 -18.163 1.00 0.00 C ATOM 324 C ALA A 21 -1.406 0.873 -17.315 1.00 0.00 C ATOM 325 O ALA A 21 -0.388 0.961 -16.625 1.00 0.00 O ATOM 326 CB ALA A 21 -3.202 2.588 -17.590 1.00 0.00 C ATOM 0 H ALA A 21 -3.052 1.671 -19.869 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.125 2.829 -18.136 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.053 2.883 -16.551 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.526 3.452 -18.170 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.965 1.811 -17.640 1.00 0.00 H new ATOM 332 N TYR A 22 -2.147 -0.227 -17.371 1.00 0.00 N ATOM 333 CA TYR A 22 -1.793 -1.412 -16.603 1.00 0.00 C ATOM 334 C TYR A 22 -0.450 -1.966 -17.074 1.00 0.00 C ATOM 335 O TYR A 22 0.429 -2.291 -16.269 1.00 0.00 O ATOM 336 CB TYR A 22 -2.879 -2.475 -16.769 1.00 0.00 C ATOM 337 CG TYR A 22 -2.538 -3.672 -15.922 1.00 0.00 C ATOM 338 CD1 TYR A 22 -1.627 -4.621 -16.395 1.00 0.00 C ATOM 339 CD2 TYR A 22 -3.129 -3.834 -14.662 1.00 0.00 C ATOM 340 CE1 TYR A 22 -1.304 -5.731 -15.610 1.00 0.00 C ATOM 341 CE2 TYR A 22 -2.808 -4.946 -13.877 1.00 0.00 C ATOM 342 CZ TYR A 22 -1.894 -5.896 -14.351 1.00 0.00 C ATOM 343 OH TYR A 22 -1.577 -6.993 -13.577 1.00 0.00 O ATOM 0 H TYR A 22 -2.991 -0.322 -17.936 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.710 -1.140 -15.551 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.847 -2.071 -16.474 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.961 -2.767 -17.816 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.173 -4.496 -17.367 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.832 -3.100 -14.297 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.598 -6.463 -15.975 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.264 -5.072 -12.906 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.074 -6.953 -12.733 1.00 0.00 H new ATOM 353 N ARG A 23 -0.297 -2.066 -18.388 1.00 0.00 N ATOM 354 CA ARG A 23 0.936 -2.577 -18.960 1.00 0.00 C ATOM 355 C ARG A 23 2.117 -1.751 -18.471 1.00 0.00 C ATOM 356 O ARG A 23 3.148 -2.297 -18.075 1.00 0.00 O ATOM 357 CB ARG A 23 0.860 -2.527 -20.484 1.00 0.00 C ATOM 358 CG ARG A 23 2.004 -3.350 -21.076 1.00 0.00 C ATOM 359 CD ARG A 23 1.905 -3.345 -22.603 1.00 0.00 C ATOM 360 NE ARG A 23 2.120 -1.999 -23.123 1.00 0.00 N ATOM 361 CZ ARG A 23 1.959 -1.726 -24.416 1.00 0.00 C ATOM 362 NH1 ARG A 23 1.596 -2.670 -25.242 1.00 0.00 N ATOM 363 NH2 ARG A 23 2.163 -0.516 -24.858 1.00 0.00 N ATOM 0 H ARG A 23 -1.007 -1.802 -19.071 1.00 0.00 H new ATOM 0 HA ARG A 23 1.073 -3.611 -18.644 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.099 -2.919 -20.824 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.923 -1.495 -20.829 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.963 -2.937 -20.763 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.961 -4.373 -20.702 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.644 -4.026 -23.024 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.925 -3.708 -22.911 1.00 0.00 H new ATOM 0 HE ARG A 23 2.399 -1.254 -22.485 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.436 -3.616 -24.896 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.473 -2.461 -26.233 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.446 0.222 -24.213 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.040 -0.307 -25.849 1.00 0.00 H new ATOM 377 N GLN A 24 1.956 -0.433 -18.479 1.00 0.00 N ATOM 378 CA GLN A 24 3.013 0.449 -18.008 1.00 0.00 C ATOM 379 C GLN A 24 3.259 0.212 -16.528 1.00 0.00 C ATOM 380 O GLN A 24 4.382 0.355 -16.052 1.00 0.00 O ATOM 381 CB GLN A 24 2.627 1.915 -18.251 1.00 0.00 C ATOM 382 CG GLN A 24 2.937 2.293 -19.703 1.00 0.00 C ATOM 383 CD GLN A 24 4.430 2.548 -19.869 1.00 0.00 C ATOM 384 OE1 GLN A 24 5.108 2.921 -18.911 1.00 0.00 O ATOM 385 NE2 GLN A 24 4.984 2.371 -21.036 1.00 0.00 N ATOM 0 H GLN A 24 1.114 0.043 -18.803 1.00 0.00 H new ATOM 0 HA GLN A 24 3.928 0.233 -18.560 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.567 2.062 -18.045 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.177 2.564 -17.570 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.620 1.492 -20.371 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.374 3.183 -19.983 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.419 2.062 -21.827 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.982 2.542 -21.158 1.00 0.00 H new ATOM 394 N LYS A 25 2.207 -0.157 -15.802 1.00 0.00 N ATOM 395 CA LYS A 25 2.356 -0.418 -14.379 1.00 0.00 C ATOM 396 C LYS A 25 3.374 -1.532 -14.171 1.00 0.00 C ATOM 397 O LYS A 25 4.304 -1.395 -13.378 1.00 0.00 O ATOM 398 CB LYS A 25 1.012 -0.839 -13.770 1.00 0.00 C ATOM 399 CG LYS A 25 1.057 -0.673 -12.237 1.00 0.00 C ATOM 400 CD LYS A 25 0.655 0.763 -11.845 1.00 0.00 C ATOM 401 CE LYS A 25 -0.874 0.876 -11.753 1.00 0.00 C ATOM 402 NZ LYS A 25 -1.319 0.441 -10.399 1.00 0.00 N ATOM 0 H LYS A 25 1.263 -0.279 -16.168 1.00 0.00 H new ATOM 0 HA LYS A 25 2.698 0.493 -13.888 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.208 -0.233 -14.187 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.795 -1.876 -14.026 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.383 -1.389 -11.766 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.060 -0.891 -11.870 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.105 1.027 -10.888 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.036 1.470 -12.582 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.186 1.904 -11.938 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.343 0.258 -12.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.354 0.516 -10.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.033 -0.546 -10.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.881 1.049 -9.678 1.00 0.00 H new ATOM 416 N LEU A 26 3.205 -2.626 -14.912 1.00 0.00 N ATOM 417 CA LEU A 26 4.137 -3.748 -14.813 1.00 0.00 C ATOM 418 C LEU A 26 5.523 -3.323 -15.293 1.00 0.00 C ATOM 419 O LEU A 26 6.538 -3.692 -14.705 1.00 0.00 O ATOM 420 CB LEU A 26 3.634 -4.944 -15.643 1.00 0.00 C ATOM 421 CG LEU A 26 2.611 -5.759 -14.833 1.00 0.00 C ATOM 422 CD1 LEU A 26 3.286 -6.406 -13.603 1.00 0.00 C ATOM 423 CD2 LEU A 26 1.472 -4.838 -14.383 1.00 0.00 C ATOM 0 H LEU A 26 2.444 -2.759 -15.578 1.00 0.00 H new ATOM 0 HA LEU A 26 4.201 -4.053 -13.769 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.178 -4.589 -16.567 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.474 -5.579 -15.926 1.00 0.00 H new ATOM 0 HG LEU A 26 2.211 -6.554 -15.462 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.547 -6.979 -13.042 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.085 -7.070 -13.934 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.702 -5.627 -12.965 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.745 -5.412 -13.809 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.875 -4.038 -13.762 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.985 -4.408 -15.258 1.00 0.00 H new ATOM 435 N LEU A 27 5.553 -2.549 -16.366 1.00 0.00 N ATOM 436 CA LEU A 27 6.815 -2.070 -16.915 1.00 0.00 C ATOM 437 C LEU A 27 7.472 -1.050 -15.984 1.00 0.00 C ATOM 438 O LEU A 27 8.697 -0.963 -15.903 1.00 0.00 O ATOM 439 CB LEU A 27 6.590 -1.434 -18.294 1.00 0.00 C ATOM 440 CG LEU A 27 7.935 -1.357 -19.054 1.00 0.00 C ATOM 441 CD1 LEU A 27 8.185 -2.659 -19.824 1.00 0.00 C ATOM 442 CD2 LEU A 27 7.905 -0.190 -20.044 1.00 0.00 C ATOM 0 H LEU A 27 4.724 -2.239 -16.873 1.00 0.00 H new ATOM 0 HA LEU A 27 7.480 -2.928 -17.014 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.871 -2.022 -18.864 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.167 -0.436 -18.181 1.00 0.00 H new ATOM 0 HG LEU A 27 8.735 -1.206 -18.329 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.135 -2.591 -20.354 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.219 -3.495 -19.125 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.380 -2.818 -20.541 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.855 -0.140 -20.577 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.096 -0.340 -20.759 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.743 0.742 -19.503 1.00 0.00 H new ATOM 454 N SER A 28 6.644 -0.257 -15.314 1.00 0.00 N ATOM 455 CA SER A 28 7.142 0.785 -14.416 1.00 0.00 C ATOM 456 C SER A 28 7.998 0.197 -13.304 1.00 0.00 C ATOM 457 O SER A 28 9.062 0.725 -12.983 1.00 0.00 O ATOM 458 CB SER A 28 5.965 1.543 -13.804 1.00 0.00 C ATOM 459 OG SER A 28 6.425 2.314 -12.702 1.00 0.00 O ATOM 0 H SER A 28 5.627 -0.313 -15.373 1.00 0.00 H new ATOM 0 HA SER A 28 7.761 1.466 -15.001 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.508 2.192 -14.551 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.197 0.842 -13.477 1.00 0.00 H new ATOM 0 HG SER A 28 5.673 2.803 -12.308 1.00 0.00 H new ATOM 465 N LEU A 29 7.523 -0.895 -12.711 1.00 0.00 N ATOM 466 CA LEU A 29 8.243 -1.558 -11.620 1.00 0.00 C ATOM 467 C LEU A 29 8.660 -2.966 -12.040 1.00 0.00 C ATOM 468 O LEU A 29 8.206 -3.480 -13.061 1.00 0.00 O ATOM 469 CB LEU A 29 7.347 -1.622 -10.366 1.00 0.00 C ATOM 470 CG LEU A 29 5.876 -1.786 -10.776 1.00 0.00 C ATOM 471 CD1 LEU A 29 5.706 -3.064 -11.610 1.00 0.00 C ATOM 472 CD2 LEU A 29 5.010 -1.876 -9.516 1.00 0.00 C ATOM 0 H LEU A 29 6.642 -1.342 -12.966 1.00 0.00 H new ATOM 0 HA LEU A 29 9.140 -0.984 -11.388 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.652 -2.456 -9.734 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.469 -0.714 -9.776 1.00 0.00 H new ATOM 0 HG LEU A 29 5.568 -0.928 -11.374 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.660 -3.174 -11.898 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.324 -2.999 -12.506 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.013 -3.927 -11.020 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.964 -1.993 -9.801 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.322 -2.734 -8.921 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.127 -0.965 -8.928 1.00 0.00 H new ATOM 484 N GLY A 30 9.530 -3.583 -11.245 1.00 0.00 N ATOM 485 CA GLY A 30 10.005 -4.935 -11.538 1.00 0.00 C ATOM 486 C GLY A 30 9.115 -5.980 -10.872 1.00 0.00 C ATOM 487 O GLY A 30 9.427 -7.171 -10.879 1.00 0.00 O ATOM 0 H GLY A 30 9.920 -3.172 -10.397 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.017 -5.095 -12.616 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.031 -5.048 -11.188 1.00 0.00 H new ATOM 491 N MET A 31 8.003 -5.526 -10.299 1.00 0.00 N ATOM 492 CA MET A 31 7.070 -6.429 -9.633 1.00 0.00 C ATOM 493 C MET A 31 6.233 -7.158 -10.669 1.00 0.00 C ATOM 494 O MET A 31 5.057 -6.852 -10.859 1.00 0.00 O ATOM 495 CB MET A 31 6.146 -5.643 -8.705 1.00 0.00 C ATOM 496 CG MET A 31 6.968 -5.003 -7.587 1.00 0.00 C ATOM 497 SD MET A 31 5.886 -3.975 -6.563 1.00 0.00 S ATOM 498 CE MET A 31 4.857 -5.304 -5.887 1.00 0.00 C ATOM 0 H MET A 31 7.728 -4.544 -10.283 1.00 0.00 H new ATOM 0 HA MET A 31 7.640 -7.150 -9.047 1.00 0.00 H new ATOM 0 HB2 MET A 31 5.617 -4.874 -9.268 1.00 0.00 H new ATOM 0 HB3 MET A 31 5.390 -6.305 -8.282 1.00 0.00 H new ATOM 0 HG2 MET A 31 7.438 -5.775 -6.978 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.770 -4.398 -8.010 1.00 0.00 H new ATOM 0 HE1 MET A 31 4.595 -5.072 -4.855 1.00 0.00 H new ATOM 0 HE2 MET A 31 3.947 -5.397 -6.480 1.00 0.00 H new ATOM 0 HE3 MET A 31 5.409 -6.243 -5.919 1.00 0.00 H new ATOM 508 N LEU A 32 6.852 -8.116 -11.349 1.00 0.00 N ATOM 509 CA LEU A 32 6.164 -8.883 -12.387 1.00 0.00 C ATOM 510 C LEU A 32 5.581 -10.174 -11.805 1.00 0.00 C ATOM 511 O LEU A 32 5.881 -10.532 -10.665 1.00 0.00 O ATOM 512 CB LEU A 32 7.174 -9.177 -13.528 1.00 0.00 C ATOM 513 CG LEU A 32 6.826 -8.358 -14.787 1.00 0.00 C ATOM 514 CD1 LEU A 32 7.228 -6.900 -14.575 1.00 0.00 C ATOM 515 CD2 LEU A 32 7.575 -8.919 -15.990 1.00 0.00 C ATOM 0 H LEU A 32 7.826 -8.382 -11.203 1.00 0.00 H new ATOM 0 HA LEU A 32 5.328 -8.309 -12.787 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.184 -8.935 -13.198 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.163 -10.241 -13.765 1.00 0.00 H new ATOM 0 HG LEU A 32 5.753 -8.419 -14.969 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.982 -6.322 -15.465 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.689 -6.495 -13.719 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.301 -6.842 -14.390 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.326 -8.337 -16.877 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.648 -8.863 -15.809 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.287 -9.959 -16.145 1.00 0.00 H new ATOM 527 N PRO A 33 4.748 -10.872 -12.552 1.00 0.00 N ATOM 528 CA PRO A 33 4.122 -12.140 -12.077 1.00 0.00 C ATOM 529 C PRO A 33 5.143 -13.100 -11.473 1.00 0.00 C ATOM 530 O PRO A 33 6.303 -12.748 -11.267 1.00 0.00 O ATOM 531 CB PRO A 33 3.502 -12.744 -13.343 1.00 0.00 C ATOM 532 CG PRO A 33 3.247 -11.589 -14.251 1.00 0.00 C ATOM 533 CD PRO A 33 4.307 -10.532 -13.924 1.00 0.00 C ATOM 0 HA PRO A 33 3.397 -11.957 -11.284 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.177 -13.465 -13.805 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.578 -13.274 -13.113 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.314 -11.895 -15.295 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.244 -11.191 -14.099 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.137 -10.569 -14.630 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.893 -9.525 -13.971 1.00 0.00 H new ATOM 541 N GLY A 34 4.696 -14.322 -11.206 1.00 0.00 N ATOM 542 CA GLY A 34 5.565 -15.348 -10.634 1.00 0.00 C ATOM 543 C GLY A 34 5.094 -15.730 -9.236 1.00 0.00 C ATOM 544 O GLY A 34 5.747 -16.507 -8.541 1.00 0.00 O ATOM 0 H GLY A 34 3.738 -14.628 -11.376 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.568 -16.229 -11.276 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.590 -14.981 -10.591 1.00 0.00 H new ATOM 548 N SER A 35 3.954 -15.174 -8.833 1.00 0.00 N ATOM 549 CA SER A 35 3.385 -15.453 -7.514 1.00 0.00 C ATOM 550 C SER A 35 1.863 -15.461 -7.584 1.00 0.00 C ATOM 551 O SER A 35 1.282 -15.397 -8.668 1.00 0.00 O ATOM 552 CB SER A 35 3.843 -14.400 -6.505 1.00 0.00 C ATOM 553 OG SER A 35 3.331 -14.732 -5.221 1.00 0.00 O ATOM 0 H SER A 35 3.405 -14.528 -9.400 1.00 0.00 H new ATOM 0 HA SER A 35 3.733 -16.434 -7.192 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.932 -14.356 -6.476 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.492 -13.413 -6.806 1.00 0.00 H new ATOM 0 HG SER A 35 2.664 -14.066 -4.953 1.00 0.00 H new ATOM 559 N SER A 36 1.223 -15.546 -6.420 1.00 0.00 N ATOM 560 CA SER A 36 -0.240 -15.568 -6.341 1.00 0.00 C ATOM 561 C SER A 36 -0.734 -14.549 -5.325 1.00 0.00 C ATOM 562 O SER A 36 -0.006 -14.168 -4.408 1.00 0.00 O ATOM 563 CB SER A 36 -0.716 -16.964 -5.936 1.00 0.00 C ATOM 564 OG SER A 36 -2.135 -16.967 -5.840 1.00 0.00 O ATOM 0 H SER A 36 1.693 -15.601 -5.516 1.00 0.00 H new ATOM 0 HA SER A 36 -0.644 -15.314 -7.321 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.388 -17.700 -6.670 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.275 -17.248 -4.981 1.00 0.00 H new ATOM 0 HG SER A 36 -2.503 -16.263 -6.414 1.00 0.00 H new ATOM 570 N PHE A 37 -1.979 -14.106 -5.496 1.00 0.00 N ATOM 571 CA PHE A 37 -2.572 -13.122 -4.592 1.00 0.00 C ATOM 572 C PHE A 37 -3.959 -13.576 -4.154 1.00 0.00 C ATOM 573 O PHE A 37 -4.551 -14.473 -4.758 1.00 0.00 O ATOM 574 CB PHE A 37 -2.680 -11.763 -5.289 1.00 0.00 C ATOM 575 CG PHE A 37 -3.726 -11.819 -6.382 1.00 0.00 C ATOM 576 CD1 PHE A 37 -3.378 -12.216 -7.679 1.00 0.00 C ATOM 577 CD2 PHE A 37 -5.050 -11.474 -6.089 1.00 0.00 C ATOM 578 CE1 PHE A 37 -4.354 -12.267 -8.681 1.00 0.00 C ATOM 579 CE2 PHE A 37 -6.025 -11.526 -7.090 1.00 0.00 C ATOM 580 CZ PHE A 37 -5.677 -11.922 -8.386 1.00 0.00 C ATOM 0 H PHE A 37 -2.595 -14.412 -6.250 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.931 -13.029 -3.716 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.943 -10.993 -4.563 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.715 -11.485 -5.713 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.356 -12.483 -7.906 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.319 -11.167 -5.089 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.086 -12.573 -9.681 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.047 -11.260 -6.863 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.430 -11.961 -9.159 1.00 0.00 H new ATOM 590 N ASN A 38 -4.474 -12.946 -3.098 1.00 0.00 N ATOM 591 CA ASN A 38 -5.797 -13.279 -2.570 1.00 0.00 C ATOM 592 C ASN A 38 -6.739 -12.087 -2.698 1.00 0.00 C ATOM 593 O ASN A 38 -6.312 -10.927 -2.655 1.00 0.00 O ATOM 594 CB ASN A 38 -5.687 -13.688 -1.102 1.00 0.00 C ATOM 595 CG ASN A 38 -4.953 -12.610 -0.314 1.00 0.00 C ATOM 596 OD1 ASN A 38 -4.052 -11.960 -0.841 1.00 0.00 O ATOM 597 ND2 ASN A 38 -5.290 -12.379 0.925 1.00 0.00 N ATOM 0 H ASN A 38 -3.995 -12.202 -2.591 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.199 -14.111 -3.149 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.682 -13.842 -0.683 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.156 -14.636 -1.019 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.806 -11.658 1.459 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.038 -12.920 1.359 1.00 0.00 H new ATOM 604 N VAL A 39 -8.026 -12.380 -2.863 1.00 0.00 N ATOM 605 CA VAL A 39 -9.022 -11.326 -3.001 1.00 0.00 C ATOM 606 C VAL A 39 -9.541 -10.899 -1.632 1.00 0.00 C ATOM 607 O VAL A 39 -10.021 -11.725 -0.856 1.00 0.00 O ATOM 608 CB VAL A 39 -10.196 -11.829 -3.844 1.00 0.00 C ATOM 609 CG1 VAL A 39 -11.082 -10.650 -4.248 1.00 0.00 C ATOM 610 CG2 VAL A 39 -9.666 -12.525 -5.095 1.00 0.00 C ATOM 0 H VAL A 39 -8.399 -13.328 -2.904 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.553 -10.472 -3.489 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.784 -12.536 -3.259 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -11.917 -11.011 -4.848 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -11.464 -10.159 -3.353 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -10.497 -9.938 -4.831 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -10.503 -12.883 -5.695 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.075 -11.821 -5.681 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.041 -13.369 -4.804 1.00 0.00 H new ATOM 620 N VAL A 40 -9.453 -9.606 -1.347 1.00 0.00 N ATOM 621 CA VAL A 40 -9.928 -9.081 -0.073 1.00 0.00 C ATOM 622 C VAL A 40 -11.445 -9.196 0.015 1.00 0.00 C ATOM 623 O VAL A 40 -11.993 -9.556 1.056 1.00 0.00 O ATOM 624 CB VAL A 40 -9.484 -7.616 0.084 1.00 0.00 C ATOM 625 CG1 VAL A 40 -9.634 -6.879 -1.243 1.00 0.00 C ATOM 626 CG2 VAL A 40 -10.315 -6.908 1.164 1.00 0.00 C ATOM 0 H VAL A 40 -9.060 -8.906 -1.976 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.495 -9.667 0.738 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.437 -7.607 0.387 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.317 -5.843 -1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -9.015 -7.362 -1.999 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.677 -6.905 -1.558 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.984 -5.874 1.258 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.368 -6.928 0.884 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.183 -7.419 2.118 1.00 0.00 H new ATOM 636 N ARG A 41 -12.117 -8.871 -1.078 1.00 0.00 N ATOM 637 CA ARG A 41 -13.568 -8.922 -1.100 1.00 0.00 C ATOM 638 C ARG A 41 -14.084 -8.743 -2.521 1.00 0.00 C ATOM 639 O ARG A 41 -13.380 -8.220 -3.384 1.00 0.00 O ATOM 640 CB ARG A 41 -14.117 -7.808 -0.206 1.00 0.00 C ATOM 641 CG ARG A 41 -13.787 -6.444 -0.823 1.00 0.00 C ATOM 642 CD ARG A 41 -14.176 -5.337 0.160 1.00 0.00 C ATOM 643 NE ARG A 41 -13.933 -4.023 -0.432 1.00 0.00 N ATOM 644 CZ ARG A 41 -12.745 -3.432 -0.343 1.00 0.00 C ATOM 645 NH1 ARG A 41 -11.764 -4.020 0.286 1.00 0.00 N ATOM 646 NH2 ARG A 41 -12.561 -2.258 -0.884 1.00 0.00 N ATOM 0 H ARG A 41 -11.685 -8.572 -1.953 1.00 0.00 H new ATOM 0 HA ARG A 41 -13.900 -9.893 -0.732 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -15.196 -7.916 -0.094 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.684 -7.882 0.792 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.723 -6.384 -1.054 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -14.325 -6.317 -1.763 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -15.228 -5.433 0.429 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.601 -5.440 1.080 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.691 -3.549 -0.924 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -11.907 -4.936 0.711 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.854 -3.564 0.352 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.328 -1.796 -1.373 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.651 -1.803 -0.817 1.00 0.00 H new ATOM 660 N VAL A 42 -15.322 -9.164 -2.756 1.00 0.00 N ATOM 661 CA VAL A 42 -15.943 -9.029 -4.074 1.00 0.00 C ATOM 662 C VAL A 42 -17.310 -8.374 -3.936 1.00 0.00 C ATOM 663 O VAL A 42 -18.141 -8.821 -3.145 1.00 0.00 O ATOM 664 CB VAL A 42 -16.089 -10.408 -4.717 1.00 0.00 C ATOM 665 CG1 VAL A 42 -16.798 -10.271 -6.065 1.00 0.00 C ATOM 666 CG2 VAL A 42 -14.697 -11.011 -4.929 1.00 0.00 C ATOM 0 H VAL A 42 -15.917 -9.602 -2.053 1.00 0.00 H new ATOM 0 HA VAL A 42 -15.312 -8.404 -4.706 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.676 -11.057 -4.067 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -16.902 -11.255 -6.523 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -17.785 -9.835 -5.914 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -16.213 -9.626 -6.720 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -14.793 -11.995 -5.387 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -14.115 -10.361 -5.583 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.191 -11.106 -3.968 1.00 0.00 H new ATOM 676 N ALA A 43 -17.542 -7.308 -4.701 1.00 0.00 N ATOM 677 CA ALA A 43 -18.819 -6.600 -4.639 1.00 0.00 C ATOM 678 C ALA A 43 -19.787 -7.139 -5.708 1.00 0.00 C ATOM 679 O ALA A 43 -19.562 -6.924 -6.899 1.00 0.00 O ATOM 680 CB ALA A 43 -18.578 -5.106 -4.876 1.00 0.00 C ATOM 0 H ALA A 43 -16.871 -6.919 -5.364 1.00 0.00 H new ATOM 0 HA ALA A 43 -19.263 -6.755 -3.656 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -19.528 -4.573 -4.831 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -17.908 -4.719 -4.108 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -18.127 -4.961 -5.858 1.00 0.00 H new ATOM 686 N PRO A 44 -20.853 -7.828 -5.331 1.00 0.00 N ATOM 687 CA PRO A 44 -21.831 -8.379 -6.317 1.00 0.00 C ATOM 688 C PRO A 44 -22.758 -7.303 -6.882 1.00 0.00 C ATOM 689 O PRO A 44 -23.499 -7.547 -7.835 1.00 0.00 O ATOM 690 CB PRO A 44 -22.606 -9.435 -5.517 1.00 0.00 C ATOM 691 CG PRO A 44 -22.557 -8.963 -4.099 1.00 0.00 C ATOM 692 CD PRO A 44 -21.253 -8.160 -3.943 1.00 0.00 C ATOM 0 HA PRO A 44 -21.337 -8.795 -7.195 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -23.634 -9.520 -5.869 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -22.151 -10.420 -5.621 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -23.423 -8.343 -3.868 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -22.576 -9.807 -3.410 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -21.410 -7.260 -3.349 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -20.485 -8.745 -3.438 1.00 0.00 H new ATOM 700 N LEU A 45 -22.733 -6.125 -6.270 1.00 0.00 N ATOM 701 CA LEU A 45 -23.598 -5.030 -6.701 1.00 0.00 C ATOM 702 C LEU A 45 -23.321 -4.669 -8.159 1.00 0.00 C ATOM 703 O LEU A 45 -24.219 -4.231 -8.877 1.00 0.00 O ATOM 704 CB LEU A 45 -23.356 -3.804 -5.806 1.00 0.00 C ATOM 705 CG LEU A 45 -24.132 -3.955 -4.492 1.00 0.00 C ATOM 706 CD1 LEU A 45 -23.668 -5.216 -3.762 1.00 0.00 C ATOM 707 CD2 LEU A 45 -23.875 -2.734 -3.604 1.00 0.00 C ATOM 0 H LEU A 45 -22.128 -5.903 -5.479 1.00 0.00 H new ATOM 0 HA LEU A 45 -24.637 -5.347 -6.615 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -22.291 -3.698 -5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -23.672 -2.898 -6.323 1.00 0.00 H new ATOM 0 HG LEU A 45 -25.197 -4.032 -4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -24.221 -5.320 -2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -23.849 -6.088 -4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -22.602 -5.140 -3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -24.426 -2.841 -2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -22.809 -2.658 -3.389 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -24.206 -1.833 -4.120 1.00 0.00 H new ATOM 719 N GLY A 46 -22.076 -4.857 -8.593 1.00 0.00 N ATOM 720 CA GLY A 46 -21.686 -4.549 -9.974 1.00 0.00 C ATOM 721 C GLY A 46 -20.530 -3.560 -10.002 1.00 0.00 C ATOM 722 O GLY A 46 -20.384 -2.790 -10.950 1.00 0.00 O ATOM 0 H GLY A 46 -21.320 -5.220 -8.013 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -21.398 -5.466 -10.488 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -22.538 -4.135 -10.513 1.00 0.00 H new ATOM 726 N ASP A 47 -19.709 -3.582 -8.952 1.00 0.00 N ATOM 727 CA ASP A 47 -18.562 -2.675 -8.858 1.00 0.00 C ATOM 728 C ASP A 47 -17.287 -3.399 -9.310 1.00 0.00 C ATOM 729 O ASP A 47 -17.333 -4.580 -9.654 1.00 0.00 O ATOM 730 CB ASP A 47 -18.404 -2.160 -7.405 1.00 0.00 C ATOM 731 CG ASP A 47 -19.695 -2.378 -6.616 1.00 0.00 C ATOM 732 OD1 ASP A 47 -20.170 -3.501 -6.593 1.00 0.00 O ATOM 733 OD2 ASP A 47 -20.185 -1.419 -6.044 1.00 0.00 O ATOM 0 H ASP A 47 -19.815 -4.214 -8.158 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.731 -1.819 -9.511 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -17.580 -2.680 -6.916 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -18.151 -1.100 -7.414 1.00 0.00 H new ATOM 738 N PRO A 48 -16.160 -2.725 -9.315 1.00 0.00 N ATOM 739 CA PRO A 48 -14.869 -3.346 -9.737 1.00 0.00 C ATOM 740 C PRO A 48 -14.448 -4.478 -8.800 1.00 0.00 C ATOM 741 O PRO A 48 -15.154 -4.806 -7.847 1.00 0.00 O ATOM 742 CB PRO A 48 -13.854 -2.186 -9.702 1.00 0.00 C ATOM 743 CG PRO A 48 -14.680 -0.933 -9.634 1.00 0.00 C ATOM 744 CD PRO A 48 -15.979 -1.317 -8.931 1.00 0.00 C ATOM 0 HA PRO A 48 -14.943 -3.805 -10.723 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.194 -2.268 -8.839 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -13.221 -2.191 -10.589 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.156 -0.151 -9.084 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -14.878 -0.543 -10.632 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -15.902 -1.200 -7.850 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -16.814 -0.698 -9.260 1.00 0.00 H new ATOM 752 N ILE A 49 -13.296 -5.078 -9.092 1.00 0.00 N ATOM 753 CA ILE A 49 -12.781 -6.186 -8.293 1.00 0.00 C ATOM 754 C ILE A 49 -11.656 -5.689 -7.401 1.00 0.00 C ATOM 755 O ILE A 49 -10.629 -5.222 -7.895 1.00 0.00 O ATOM 756 CB ILE A 49 -12.250 -7.275 -9.228 1.00 0.00 C ATOM 757 CG1 ILE A 49 -13.187 -7.397 -10.438 1.00 0.00 C ATOM 758 CG2 ILE A 49 -12.174 -8.616 -8.485 1.00 0.00 C ATOM 759 CD1 ILE A 49 -14.617 -7.736 -9.990 1.00 0.00 C ATOM 0 H ILE A 49 -12.701 -4.814 -9.878 1.00 0.00 H new ATOM 0 HA ILE A 49 -13.579 -6.593 -7.672 1.00 0.00 H new ATOM 0 HB ILE A 49 -11.249 -7.009 -9.566 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.189 -6.462 -10.998 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -12.819 -8.171 -11.112 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -11.795 -9.384 -9.159 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -11.505 -8.521 -7.630 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -13.168 -8.896 -8.138 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -15.263 -7.817 -10.864 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -14.615 -8.684 -9.451 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -14.990 -6.948 -9.336 1.00 0.00 H new ATOM 771 N HIS A 50 -11.856 -5.790 -6.090 1.00 0.00 N ATOM 772 CA HIS A 50 -10.848 -5.343 -5.134 1.00 0.00 C ATOM 773 C HIS A 50 -10.006 -6.522 -4.690 1.00 0.00 C ATOM 774 O HIS A 50 -10.516 -7.468 -4.087 1.00 0.00 O ATOM 775 CB HIS A 50 -11.515 -4.711 -3.910 1.00 0.00 C ATOM 776 CG HIS A 50 -12.280 -3.475 -4.324 1.00 0.00 C ATOM 777 ND1 HIS A 50 -12.398 -2.375 -3.490 1.00 0.00 N ATOM 778 CD2 HIS A 50 -12.956 -3.140 -5.477 1.00 0.00 C ATOM 779 CE1 HIS A 50 -13.114 -1.441 -4.143 1.00 0.00 C ATOM 780 NE2 HIS A 50 -13.479 -1.857 -5.357 1.00 0.00 N ATOM 0 H HIS A 50 -12.701 -6.175 -5.668 1.00 0.00 H new ATOM 0 HA HIS A 50 -10.216 -4.599 -5.619 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.190 -5.428 -3.442 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.761 -4.451 -3.167 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.063 -3.777 -6.342 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -13.363 -0.473 -3.734 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -14.025 -1.344 -6.049 1.00 0.00 H new ATOM 788 N ILE A 51 -8.711 -6.462 -4.990 1.00 0.00 N ATOM 789 CA ILE A 51 -7.788 -7.531 -4.616 1.00 0.00 C ATOM 790 C ILE A 51 -6.715 -7.002 -3.684 1.00 0.00 C ATOM 791 O ILE A 51 -6.307 -5.844 -3.787 1.00 0.00 O ATOM 792 CB ILE A 51 -7.136 -8.133 -5.868 1.00 0.00 C ATOM 793 CG1 ILE A 51 -6.473 -7.025 -6.696 1.00 0.00 C ATOM 794 CG2 ILE A 51 -8.202 -8.821 -6.720 1.00 0.00 C ATOM 795 CD1 ILE A 51 -5.565 -7.653 -7.754 1.00 0.00 C ATOM 0 H ILE A 51 -8.277 -5.686 -5.490 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.353 -8.307 -4.100 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.383 -8.858 -5.561 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.234 -6.409 -7.174 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.893 -6.369 -6.047 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.738 -9.248 -7.609 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.675 -9.614 -6.141 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.955 -8.092 -7.019 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.094 -6.866 -8.343 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.796 -8.250 -7.265 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.158 -8.291 -8.410 1.00 0.00 H new ATOM 807 N GLU A 52 -6.257 -7.857 -2.771 1.00 0.00 N ATOM 808 CA GLU A 52 -5.222 -7.462 -1.818 1.00 0.00 C ATOM 809 C GLU A 52 -4.156 -8.540 -1.724 1.00 0.00 C ATOM 810 O GLU A 52 -4.407 -9.641 -1.234 1.00 0.00 O ATOM 811 CB GLU A 52 -5.853 -7.227 -0.446 1.00 0.00 C ATOM 812 CG GLU A 52 -4.794 -6.717 0.525 1.00 0.00 C ATOM 813 CD GLU A 52 -5.423 -6.422 1.884 1.00 0.00 C ATOM 814 OE1 GLU A 52 -6.561 -6.811 2.086 1.00 0.00 O ATOM 815 OE2 GLU A 52 -4.755 -5.811 2.702 1.00 0.00 O ATOM 0 H GLU A 52 -6.583 -8.818 -2.671 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.754 -6.539 -2.161 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.665 -6.504 -0.527 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.288 -8.154 -0.071 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.004 -7.460 0.635 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.330 -5.814 0.127 1.00 0.00 H new ATOM 822 N THR A 53 -2.964 -8.211 -2.205 1.00 0.00 N ATOM 823 CA THR A 53 -1.846 -9.148 -2.187 1.00 0.00 C ATOM 824 C THR A 53 -1.116 -9.054 -0.852 1.00 0.00 C ATOM 825 O THR A 53 -1.413 -8.174 -0.043 1.00 0.00 O ATOM 826 CB THR A 53 -0.878 -8.826 -3.328 1.00 0.00 C ATOM 827 OG1 THR A 53 0.075 -7.885 -2.865 1.00 0.00 O ATOM 828 CG2 THR A 53 -1.660 -8.227 -4.510 1.00 0.00 C ATOM 0 H THR A 53 -2.746 -7.302 -2.613 1.00 0.00 H new ATOM 0 HA THR A 53 -2.228 -10.160 -2.318 1.00 0.00 H new ATOM 0 HB THR A 53 -0.373 -9.735 -3.656 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.844 -8.358 -2.485 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.971 -7.997 -5.323 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.403 -8.945 -4.856 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.160 -7.313 -4.189 1.00 0.00 H new ATOM 836 N ARG A 54 -0.163 -9.964 -0.634 1.00 0.00 N ATOM 837 CA ARG A 54 0.593 -10.006 0.622 1.00 0.00 C ATOM 838 C ARG A 54 0.816 -8.613 1.199 1.00 0.00 C ATOM 839 O ARG A 54 0.510 -8.365 2.365 1.00 0.00 O ATOM 840 CB ARG A 54 1.960 -10.646 0.374 1.00 0.00 C ATOM 841 CG ARG A 54 1.794 -12.134 0.074 1.00 0.00 C ATOM 842 CD ARG A 54 3.169 -12.751 -0.189 1.00 0.00 C ATOM 843 NE ARG A 54 3.037 -14.176 -0.467 1.00 0.00 N ATOM 844 CZ ARG A 54 4.090 -14.986 -0.428 1.00 0.00 C ATOM 845 NH1 ARG A 54 5.271 -14.511 -0.141 1.00 0.00 N ATOM 846 NH2 ARG A 54 3.940 -16.257 -0.678 1.00 0.00 N ATOM 0 H ARG A 54 0.104 -10.681 -1.309 1.00 0.00 H new ATOM 0 HA ARG A 54 0.009 -10.589 1.334 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.456 -10.151 -0.461 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.597 -10.512 1.248 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.312 -12.635 0.914 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.148 -12.272 -0.793 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.645 -12.251 -1.033 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.815 -12.600 0.676 1.00 0.00 H new ATOM 0 HE ARG A 54 2.119 -14.558 -0.696 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.387 -13.517 0.054 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.078 -15.134 -0.112 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.016 -16.627 -0.903 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.746 -16.881 -0.649 1.00 0.00 H new ATOM 860 N ARG A 55 1.336 -7.701 0.389 1.00 0.00 N ATOM 861 CA ARG A 55 1.571 -6.334 0.852 1.00 0.00 C ATOM 862 C ARG A 55 1.257 -5.333 -0.251 1.00 0.00 C ATOM 863 O ARG A 55 1.883 -4.277 -0.334 1.00 0.00 O ATOM 864 CB ARG A 55 3.031 -6.179 1.303 1.00 0.00 C ATOM 865 CG ARG A 55 3.174 -4.964 2.244 1.00 0.00 C ATOM 866 CD ARG A 55 2.848 -5.368 3.687 1.00 0.00 C ATOM 867 NE ARG A 55 3.047 -4.233 4.584 1.00 0.00 N ATOM 868 CZ ARG A 55 2.124 -3.284 4.709 1.00 0.00 C ATOM 869 NH1 ARG A 55 1.017 -3.355 4.021 1.00 0.00 N ATOM 870 NH2 ARG A 55 2.325 -2.280 5.519 1.00 0.00 N ATOM 0 H ARG A 55 1.601 -7.876 -0.580 1.00 0.00 H new ATOM 0 HA ARG A 55 0.912 -6.135 1.697 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.359 -7.084 1.814 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.676 -6.052 0.434 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.189 -4.571 2.190 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.505 -4.166 1.923 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.817 -5.716 3.751 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.484 -6.199 3.993 1.00 0.00 H new ATOM 0 HE ARG A 55 3.910 -4.167 5.124 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.860 -4.139 3.387 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.309 -2.627 4.117 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.190 -2.223 6.056 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.617 -1.552 5.615 1.00 0.00 H new ATOM 884 N VAL A 56 0.288 -5.665 -1.107 1.00 0.00 N ATOM 885 CA VAL A 56 -0.076 -4.756 -2.205 1.00 0.00 C ATOM 886 C VAL A 56 -1.582 -4.765 -2.429 1.00 0.00 C ATOM 887 O VAL A 56 -2.215 -5.817 -2.401 1.00 0.00 O ATOM 888 CB VAL A 56 0.653 -5.163 -3.500 1.00 0.00 C ATOM 889 CG1 VAL A 56 0.744 -3.967 -4.451 1.00 0.00 C ATOM 890 CG2 VAL A 56 2.063 -5.652 -3.157 1.00 0.00 C ATOM 0 H VAL A 56 -0.248 -6.532 -1.068 1.00 0.00 H new ATOM 0 HA VAL A 56 0.229 -3.746 -1.931 1.00 0.00 H new ATOM 0 HB VAL A 56 0.095 -5.962 -3.988 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.261 -4.266 -5.363 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.260 -3.622 -4.699 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.296 -3.160 -3.969 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.581 -5.941 -4.072 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.616 -4.852 -2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.998 -6.512 -2.490 1.00 0.00 H new ATOM 900 N SER A 57 -2.150 -3.580 -2.653 1.00 0.00 N ATOM 901 CA SER A 57 -3.590 -3.446 -2.887 1.00 0.00 C ATOM 902 C SER A 57 -3.851 -2.904 -4.286 1.00 0.00 C ATOM 903 O SER A 57 -3.244 -1.920 -4.705 1.00 0.00 O ATOM 904 CB SER A 57 -4.200 -2.500 -1.853 1.00 0.00 C ATOM 905 OG SER A 57 -5.575 -2.299 -2.157 1.00 0.00 O ATOM 0 H SER A 57 -1.636 -2.699 -2.678 1.00 0.00 H new ATOM 0 HA SER A 57 -4.049 -4.430 -2.795 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.094 -2.919 -0.852 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.671 -1.547 -1.858 1.00 0.00 H new ATOM 0 HG SER A 57 -5.971 -1.694 -1.496 1.00 0.00 H new ATOM 911 N LEU A 58 -4.764 -3.555 -5.004 1.00 0.00 N ATOM 912 CA LEU A 58 -5.111 -3.139 -6.363 1.00 0.00 C ATOM 913 C LEU A 58 -6.587 -3.399 -6.624 1.00 0.00 C ATOM 914 O LEU A 58 -7.151 -4.372 -6.125 1.00 0.00 O ATOM 915 CB LEU A 58 -4.261 -3.913 -7.380 1.00 0.00 C ATOM 916 CG LEU A 58 -4.605 -3.483 -8.818 1.00 0.00 C ATOM 917 CD1 LEU A 58 -4.290 -1.991 -9.022 1.00 0.00 C ATOM 918 CD2 LEU A 58 -3.780 -4.321 -9.800 1.00 0.00 C ATOM 0 H LEU A 58 -5.276 -4.371 -4.669 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.912 -2.073 -6.468 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.203 -3.737 -7.186 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.432 -4.983 -7.265 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.669 -3.641 -8.994 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.539 -1.703 -10.043 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.879 -1.396 -8.324 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.229 -1.815 -8.844 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.017 -4.023 -10.821 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.718 -4.161 -9.613 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.017 -5.377 -9.666 1.00 0.00 H new ATOM 930 N VAL A 59 -7.206 -2.534 -7.422 1.00 0.00 N ATOM 931 CA VAL A 59 -8.618 -2.690 -7.767 1.00 0.00 C ATOM 932 C VAL A 59 -8.808 -2.415 -9.254 1.00 0.00 C ATOM 933 O VAL A 59 -8.383 -1.375 -9.755 1.00 0.00 O ATOM 934 CB VAL A 59 -9.482 -1.727 -6.949 1.00 0.00 C ATOM 935 CG1 VAL A 59 -8.970 -0.295 -7.115 1.00 0.00 C ATOM 936 CG2 VAL A 59 -10.932 -1.810 -7.430 1.00 0.00 C ATOM 0 H VAL A 59 -6.756 -1.720 -7.841 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.926 -3.710 -7.538 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.429 -2.005 -5.896 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.591 0.383 -6.530 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.939 -0.235 -6.767 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.015 -0.012 -8.167 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.548 -1.125 -6.848 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.982 -1.537 -8.484 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.300 -2.828 -7.301 1.00 0.00 H new ATOM 946 N LEU A 60 -9.441 -3.352 -9.961 1.00 0.00 N ATOM 947 CA LEU A 60 -9.670 -3.194 -11.404 1.00 0.00 C ATOM 948 C LEU A 60 -11.079 -3.655 -11.774 1.00 0.00 C ATOM 949 O LEU A 60 -11.748 -4.314 -10.984 1.00 0.00 O ATOM 950 CB LEU A 60 -8.632 -4.000 -12.190 1.00 0.00 C ATOM 951 CG LEU A 60 -7.216 -3.468 -11.928 1.00 0.00 C ATOM 952 CD1 LEU A 60 -6.201 -4.436 -12.544 1.00 0.00 C ATOM 953 CD2 LEU A 60 -7.039 -2.072 -12.561 1.00 0.00 C ATOM 0 H LEU A 60 -9.802 -4.221 -9.567 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.570 -2.139 -11.659 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.689 -5.051 -11.905 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.854 -3.946 -13.256 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.057 -3.387 -10.853 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.191 -4.068 -12.364 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.315 -5.420 -12.090 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.374 -4.510 -13.618 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.030 -1.709 -12.366 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.199 -2.137 -13.637 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.763 -1.382 -12.128 1.00 0.00 H new ATOM 965 N ARG A 61 -11.528 -3.294 -12.977 1.00 0.00 N ATOM 966 CA ARG A 61 -12.867 -3.666 -13.429 1.00 0.00 C ATOM 967 C ARG A 61 -12.937 -5.147 -13.794 1.00 0.00 C ATOM 968 O ARG A 61 -11.965 -5.727 -14.259 1.00 0.00 O ATOM 969 CB ARG A 61 -13.259 -2.819 -14.633 1.00 0.00 C ATOM 970 CG ARG A 61 -13.467 -1.374 -14.179 1.00 0.00 C ATOM 971 CD ARG A 61 -13.852 -0.526 -15.381 1.00 0.00 C ATOM 972 NE ARG A 61 -14.012 0.871 -14.990 1.00 0.00 N ATOM 973 CZ ARG A 61 -15.160 1.322 -14.492 1.00 0.00 C ATOM 974 NH1 ARG A 61 -16.169 0.508 -14.343 1.00 0.00 N ATOM 975 NH2 ARG A 61 -15.275 2.576 -14.152 1.00 0.00 N ATOM 0 H ARG A 61 -10.989 -2.749 -13.650 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.564 -3.485 -12.611 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.481 -2.866 -15.395 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -14.172 -3.207 -15.085 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.248 -1.327 -13.420 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.555 -0.988 -13.723 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.086 -0.609 -16.152 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.781 -0.898 -15.813 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.228 1.514 -15.101 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -16.077 -0.473 -14.608 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -17.050 0.852 -13.961 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -14.485 3.210 -14.268 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -16.155 2.922 -13.770 1.00 0.00 H new ATOM 989 N LYS A 62 -14.097 -5.757 -13.588 1.00 0.00 N ATOM 990 CA LYS A 62 -14.268 -7.172 -13.904 1.00 0.00 C ATOM 991 C LYS A 62 -13.644 -7.505 -15.259 1.00 0.00 C ATOM 992 O LYS A 62 -12.995 -8.544 -15.427 1.00 0.00 O ATOM 993 CB LYS A 62 -15.758 -7.519 -13.926 1.00 0.00 C ATOM 994 CG LYS A 62 -15.940 -9.004 -14.234 1.00 0.00 C ATOM 995 CD LYS A 62 -17.426 -9.339 -14.240 1.00 0.00 C ATOM 996 CE LYS A 62 -17.594 -10.817 -14.570 1.00 0.00 C ATOM 997 NZ LYS A 62 -19.042 -11.165 -14.588 1.00 0.00 N ATOM 0 H LYS A 62 -14.926 -5.301 -13.208 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.765 -7.760 -13.136 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -16.210 -7.280 -12.964 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -16.270 -6.917 -14.677 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -15.498 -9.243 -15.201 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -15.422 -9.608 -13.489 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -17.867 -9.117 -13.268 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -17.948 -8.726 -14.975 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -17.145 -11.037 -15.539 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -17.073 -11.426 -13.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -19.154 -12.174 -14.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -19.457 -10.971 -13.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -19.527 -10.594 -15.309 1.00 0.00 H new ATOM 1011 N LYS A 63 -13.848 -6.621 -16.222 1.00 0.00 N ATOM 1012 CA LYS A 63 -13.314 -6.829 -17.558 1.00 0.00 C ATOM 1013 C LYS A 63 -11.797 -6.983 -17.506 1.00 0.00 C ATOM 1014 O LYS A 63 -11.226 -7.821 -18.199 1.00 0.00 O ATOM 1015 CB LYS A 63 -13.674 -5.643 -18.455 1.00 0.00 C ATOM 1016 CG LYS A 63 -15.180 -5.608 -18.680 1.00 0.00 C ATOM 1017 CD LYS A 63 -15.526 -4.414 -19.567 1.00 0.00 C ATOM 1018 CE LYS A 63 -17.033 -4.377 -19.790 1.00 0.00 C ATOM 1019 NZ LYS A 63 -17.383 -3.216 -20.658 1.00 0.00 N ATOM 0 H LYS A 63 -14.377 -5.757 -16.105 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.751 -7.740 -17.967 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.344 -4.712 -17.994 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.156 -5.727 -19.410 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.511 -6.534 -19.150 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.701 -5.531 -17.726 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.193 -3.488 -19.098 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -15.007 -4.492 -20.522 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.365 -5.305 -20.256 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.550 -4.298 -18.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -18.412 -3.193 -20.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -17.081 -2.334 -20.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -16.901 -3.310 -21.575 1.00 0.00 H new ATOM 1033 N ASP A 64 -11.145 -6.178 -16.680 1.00 0.00 N ATOM 1034 CA ASP A 64 -9.694 -6.251 -16.564 1.00 0.00 C ATOM 1035 C ASP A 64 -9.265 -7.639 -16.099 1.00 0.00 C ATOM 1036 O ASP A 64 -8.297 -8.199 -16.609 1.00 0.00 O ATOM 1037 CB ASP A 64 -9.199 -5.220 -15.561 1.00 0.00 C ATOM 1038 CG ASP A 64 -9.349 -3.814 -16.132 1.00 0.00 C ATOM 1039 OD1 ASP A 64 -9.657 -3.704 -17.307 1.00 0.00 O ATOM 1040 OD2 ASP A 64 -9.155 -2.870 -15.385 1.00 0.00 O ATOM 0 H ASP A 64 -11.589 -5.476 -16.088 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.263 -6.049 -17.545 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.764 -5.305 -14.633 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.154 -5.412 -15.317 1.00 0.00 H new ATOM 1045 N LEU A 65 -9.987 -8.187 -15.124 1.00 0.00 N ATOM 1046 CA LEU A 65 -9.657 -9.509 -14.602 1.00 0.00 C ATOM 1047 C LEU A 65 -9.786 -10.552 -15.709 1.00 0.00 C ATOM 1048 O LEU A 65 -8.945 -11.444 -15.833 1.00 0.00 O ATOM 1049 CB LEU A 65 -10.592 -9.873 -13.440 1.00 0.00 C ATOM 1050 CG LEU A 65 -10.140 -9.164 -12.150 1.00 0.00 C ATOM 1051 CD1 LEU A 65 -8.791 -9.706 -11.647 1.00 0.00 C ATOM 1052 CD2 LEU A 65 -10.026 -7.667 -12.418 1.00 0.00 C ATOM 0 H LEU A 65 -10.793 -7.743 -14.685 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.630 -9.493 -14.238 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.615 -9.584 -13.683 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.593 -10.952 -13.289 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.883 -9.355 -11.375 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.505 -9.181 -10.735 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.882 -10.772 -11.439 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.029 -9.549 -12.410 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.706 -7.158 -11.509 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.295 -7.493 -13.207 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.995 -7.278 -12.730 1.00 0.00 H new ATOM 1064 N ALA A 66 -10.842 -10.436 -16.511 1.00 0.00 N ATOM 1065 CA ALA A 66 -11.058 -11.384 -17.604 1.00 0.00 C ATOM 1066 C ALA A 66 -9.881 -11.363 -18.576 1.00 0.00 C ATOM 1067 O ALA A 66 -9.349 -12.412 -18.941 1.00 0.00 O ATOM 1068 CB ALA A 66 -12.344 -11.035 -18.356 1.00 0.00 C ATOM 0 H ALA A 66 -11.552 -9.708 -16.428 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.146 -12.383 -17.176 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.495 -11.747 -19.168 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.190 -11.081 -17.670 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.264 -10.028 -18.766 1.00 0.00 H new ATOM 1074 N LEU A 67 -9.475 -10.164 -18.985 1.00 0.00 N ATOM 1075 CA LEU A 67 -8.352 -10.018 -19.911 1.00 0.00 C ATOM 1076 C LEU A 67 -7.041 -10.444 -19.249 1.00 0.00 C ATOM 1077 O LEU A 67 -6.194 -11.071 -19.883 1.00 0.00 O ATOM 1078 CB LEU A 67 -8.254 -8.558 -20.391 1.00 0.00 C ATOM 1079 CG LEU A 67 -9.160 -8.334 -21.618 1.00 0.00 C ATOM 1080 CD1 LEU A 67 -8.592 -9.060 -22.859 1.00 0.00 C ATOM 1081 CD2 LEU A 67 -10.580 -8.851 -21.321 1.00 0.00 C ATOM 0 H LEU A 67 -9.902 -9.285 -18.693 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.526 -10.666 -20.770 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.547 -7.884 -19.586 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.221 -8.321 -20.645 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.197 -7.265 -21.827 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.247 -8.888 -23.713 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.597 -8.675 -23.082 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.531 -10.130 -22.658 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.215 -8.690 -22.192 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.539 -9.916 -21.094 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.992 -8.313 -20.467 1.00 0.00 H new ATOM 1093 N LEU A 68 -6.879 -10.102 -17.977 1.00 0.00 N ATOM 1094 CA LEU A 68 -5.662 -10.454 -17.255 1.00 0.00 C ATOM 1095 C LEU A 68 -5.518 -11.965 -17.167 1.00 0.00 C ATOM 1096 O LEU A 68 -6.498 -12.679 -16.953 1.00 0.00 O ATOM 1097 CB LEU A 68 -5.706 -9.852 -15.848 1.00 0.00 C ATOM 1098 CG LEU A 68 -5.436 -8.338 -15.916 1.00 0.00 C ATOM 1099 CD1 LEU A 68 -5.904 -7.683 -14.612 1.00 0.00 C ATOM 1100 CD2 LEU A 68 -3.930 -8.068 -16.108 1.00 0.00 C ATOM 0 H LEU A 68 -7.567 -9.587 -17.428 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.803 -10.053 -17.793 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.680 -10.036 -15.395 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.963 -10.334 -15.213 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.981 -7.920 -16.762 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.715 -6.610 -14.655 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.972 -7.858 -14.480 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.359 -8.114 -13.772 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.756 -6.993 -16.154 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.375 -8.490 -15.270 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.593 -8.530 -17.036 1.00 0.00 H new ATOM 1112 N GLU A 69 -4.290 -12.450 -17.351 1.00 0.00 N ATOM 1113 CA GLU A 69 -4.039 -13.887 -17.307 1.00 0.00 C ATOM 1114 C GLU A 69 -3.870 -14.356 -15.864 1.00 0.00 C ATOM 1115 O GLU A 69 -2.810 -14.172 -15.257 1.00 0.00 O ATOM 1116 CB GLU A 69 -2.779 -14.219 -18.108 1.00 0.00 C ATOM 1117 CG GLU A 69 -2.951 -13.747 -19.553 1.00 0.00 C ATOM 1118 CD GLU A 69 -4.064 -14.535 -20.233 1.00 0.00 C ATOM 1119 OE1 GLU A 69 -4.390 -15.604 -19.743 1.00 0.00 O ATOM 1120 OE2 GLU A 69 -4.565 -14.065 -21.241 1.00 0.00 O ATOM 0 H GLU A 69 -3.465 -11.877 -17.529 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.893 -14.403 -17.745 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.912 -13.736 -17.658 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.594 -15.293 -18.085 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.186 -12.683 -19.570 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.017 -13.877 -20.100 1.00 0.00 H new ATOM 1127 N VAL A 70 -4.922 -14.971 -15.322 1.00 0.00 N ATOM 1128 CA VAL A 70 -4.893 -15.478 -13.950 1.00 0.00 C ATOM 1129 C VAL A 70 -5.300 -16.943 -13.920 1.00 0.00 C ATOM 1130 O VAL A 70 -6.052 -17.407 -14.777 1.00 0.00 O ATOM 1131 CB VAL A 70 -5.848 -14.671 -13.064 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -5.306 -13.252 -12.859 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -7.223 -14.597 -13.735 1.00 0.00 C ATOM 0 H VAL A 70 -5.803 -15.130 -15.811 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.876 -15.377 -13.570 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.935 -15.162 -12.095 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.993 -12.688 -12.228 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.329 -13.302 -12.378 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.210 -12.756 -13.825 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.904 -14.023 -13.106 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.128 -14.111 -14.706 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.616 -15.604 -13.871 1.00 0.00 H new ATOM 1143 N GLU A 71 -4.798 -17.667 -12.923 1.00 0.00 N ATOM 1144 CA GLU A 71 -5.112 -19.090 -12.779 1.00 0.00 C ATOM 1145 C GLU A 71 -5.228 -19.470 -11.308 1.00 0.00 C ATOM 1146 O GLU A 71 -4.297 -19.272 -10.529 1.00 0.00 O ATOM 1147 CB GLU A 71 -4.022 -19.941 -13.438 1.00 0.00 C ATOM 1148 CG GLU A 71 -4.097 -19.790 -14.962 1.00 0.00 C ATOM 1149 CD GLU A 71 -2.983 -20.595 -15.624 1.00 0.00 C ATOM 1150 OE1 GLU A 71 -2.241 -21.246 -14.908 1.00 0.00 O ATOM 1151 OE2 GLU A 71 -2.890 -20.547 -16.840 1.00 0.00 O ATOM 0 H GLU A 71 -4.175 -17.296 -12.205 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.067 -19.277 -13.270 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.040 -19.631 -13.080 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.147 -20.988 -13.160 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.067 -20.133 -15.322 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.009 -18.739 -15.236 1.00 0.00 H new ATOM 1158 N ALA A 72 -6.377 -20.025 -10.936 1.00 0.00 N ATOM 1159 CA ALA A 72 -6.604 -20.437 -9.557 1.00 0.00 C ATOM 1160 C ALA A 72 -5.724 -21.634 -9.216 1.00 0.00 C ATOM 1161 O ALA A 72 -5.462 -22.483 -10.068 1.00 0.00 O ATOM 1162 CB ALA A 72 -8.075 -20.805 -9.358 1.00 0.00 C ATOM 0 H ALA A 72 -7.160 -20.199 -11.566 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.349 -19.608 -8.896 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.237 -21.112 -8.325 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.700 -19.940 -9.582 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.338 -21.625 -10.026 1.00 0.00 H new ATOM 1168 N VAL A 73 -5.266 -21.699 -7.966 1.00 0.00 N ATOM 1169 CA VAL A 73 -4.409 -22.802 -7.521 1.00 0.00 C ATOM 1170 C VAL A 73 -5.173 -23.736 -6.598 1.00 0.00 C ATOM 1171 O VAL A 73 -5.779 -23.298 -5.620 1.00 0.00 O ATOM 1172 CB VAL A 73 -3.200 -22.250 -6.769 1.00 0.00 C ATOM 1173 CG1 VAL A 73 -2.113 -23.326 -6.684 1.00 0.00 C ATOM 1174 CG2 VAL A 73 -2.659 -21.029 -7.513 1.00 0.00 C ATOM 0 H VAL A 73 -5.471 -21.006 -7.246 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.082 -23.354 -8.402 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.497 -21.961 -5.761 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.251 -22.931 -6.147 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.502 -24.196 -6.155 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.811 -23.619 -7.690 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.796 -20.631 -6.980 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.361 -21.319 -8.521 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.434 -20.265 -7.570 1.00 0.00 H new ATOM 1184 N SER A 74 -5.138 -25.020 -6.909 1.00 0.00 N ATOM 1185 CA SER A 74 -5.829 -25.996 -6.091 1.00 0.00 C ATOM 1186 C SER A 74 -5.160 -26.145 -4.726 1.00 0.00 C ATOM 1187 O SER A 74 -5.834 -26.244 -3.700 1.00 0.00 O ATOM 1188 CB SER A 74 -5.867 -27.348 -6.802 1.00 0.00 C ATOM 1189 OG SER A 74 -6.886 -28.151 -6.225 1.00 0.00 O ATOM 0 H SER A 74 -4.644 -25.406 -7.713 1.00 0.00 H new ATOM 0 HA SER A 74 -6.848 -25.642 -5.935 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.057 -27.207 -7.866 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.901 -27.846 -6.714 1.00 0.00 H new ATOM 0 HG SER A 74 -6.915 -29.019 -6.679 1.00 0.00 H new ATOM 1195 N SER A 75 -3.832 -26.167 -4.724 1.00 0.00 N ATOM 1196 CA SER A 75 -3.075 -26.311 -3.484 1.00 0.00 C ATOM 1197 C SER A 75 -1.660 -25.769 -3.659 1.00 0.00 C ATOM 1198 O SER A 75 -1.190 -25.596 -4.783 1.00 0.00 O ATOM 1199 CB SER A 75 -3.011 -27.786 -3.084 1.00 0.00 C ATOM 1200 OG SER A 75 -2.273 -28.504 -4.064 1.00 0.00 O ATOM 0 H SER A 75 -3.258 -26.087 -5.563 1.00 0.00 H new ATOM 0 HA SER A 75 -3.577 -25.743 -2.701 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.539 -27.890 -2.107 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.017 -28.196 -2.997 1.00 0.00 H new ATOM 0 HG SER A 75 -2.228 -29.450 -3.811 1.00 0.00 H new ATOM 1206 N LEU A 76 -0.984 -25.507 -2.543 1.00 0.00 N ATOM 1207 CA LEU A 76 0.381 -24.988 -2.584 1.00 0.00 C ATOM 1208 C LEU A 76 1.162 -25.473 -1.372 1.00 0.00 C ATOM 1209 O LEU A 76 1.120 -24.856 -0.308 1.00 0.00 O ATOM 1210 CB LEU A 76 0.364 -23.457 -2.597 1.00 0.00 C ATOM 1211 CG LEU A 76 1.791 -22.904 -2.747 1.00 0.00 C ATOM 1212 CD1 LEU A 76 2.391 -23.322 -4.104 1.00 0.00 C ATOM 1213 CD2 LEU A 76 1.739 -21.377 -2.653 1.00 0.00 C ATOM 0 H LEU A 76 -1.357 -25.645 -1.604 1.00 0.00 H new ATOM 0 HA LEU A 76 0.862 -25.351 -3.493 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.258 -23.101 -3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.082 -23.084 -1.675 1.00 0.00 H new ATOM 0 HG LEU A 76 2.421 -23.307 -1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.401 -22.922 -4.194 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.424 -24.410 -4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.773 -22.930 -4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.745 -20.972 -2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.105 -20.985 -3.448 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.329 -21.086 -1.686 1.00 0.00 H new ATOM 1225 N GLU A 77 1.881 -26.576 -1.544 1.00 0.00 N ATOM 1226 CA GLU A 77 2.687 -27.145 -0.463 1.00 0.00 C ATOM 1227 C GLU A 77 4.150 -27.224 -0.884 1.00 0.00 C ATOM 1228 O GLU A 77 4.472 -27.742 -1.954 1.00 0.00 O ATOM 1229 CB GLU A 77 2.178 -28.548 -0.113 1.00 0.00 C ATOM 1230 CG GLU A 77 0.771 -28.455 0.487 1.00 0.00 C ATOM 1231 CD GLU A 77 0.819 -27.732 1.830 1.00 0.00 C ATOM 1232 OE1 GLU A 77 1.885 -27.692 2.420 1.00 0.00 O ATOM 1233 OE2 GLU A 77 -0.212 -27.232 2.248 1.00 0.00 O ATOM 0 H GLU A 77 1.924 -27.096 -2.420 1.00 0.00 H new ATOM 0 HA GLU A 77 2.601 -26.501 0.412 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.162 -29.172 -1.006 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.855 -29.024 0.596 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.110 -27.923 -0.197 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.357 -29.455 0.618 1.00 0.00 H new ATOM 1240 N HIS A 78 5.032 -26.703 -0.034 1.00 0.00 N ATOM 1241 CA HIS A 78 6.468 -26.710 -0.315 1.00 0.00 C ATOM 1242 C HIS A 78 7.165 -27.787 0.508 1.00 0.00 C ATOM 1243 O HIS A 78 7.131 -27.760 1.739 1.00 0.00 O ATOM 1244 CB HIS A 78 7.069 -25.344 0.024 1.00 0.00 C ATOM 1245 CG HIS A 78 6.461 -24.293 -0.862 1.00 0.00 C ATOM 1246 ND1 HIS A 78 6.692 -24.254 -2.229 1.00 0.00 N ATOM 1247 CD2 HIS A 78 5.627 -23.236 -0.594 1.00 0.00 C ATOM 1248 CE1 HIS A 78 6.011 -23.205 -2.726 1.00 0.00 C ATOM 1249 NE2 HIS A 78 5.345 -22.550 -1.771 1.00 0.00 N ATOM 0 H HIS A 78 4.779 -26.271 0.855 1.00 0.00 H new ATOM 0 HA HIS A 78 6.614 -26.922 -1.374 1.00 0.00 H new ATOM 0 HB2 HIS A 78 6.884 -25.103 1.071 1.00 0.00 H new ATOM 0 HB3 HIS A 78 8.150 -25.367 -0.111 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.247 -22.976 0.383 1.00 0.00 H new ATOM 0 HE1 HIS A 78 6.004 -22.927 -3.770 1.00 0.00 H new ATOM 0 HE2 HIS A 78 4.756 -21.724 -1.881 1.00 0.00 H new ATOM 1257 N HIS A 79 7.795 -28.736 -0.180 1.00 0.00 N ATOM 1258 CA HIS A 79 8.503 -29.826 0.490 1.00 0.00 C ATOM 1259 C HIS A 79 9.979 -29.481 0.657 1.00 0.00 C ATOM 1260 O HIS A 79 10.790 -30.336 1.013 1.00 0.00 O ATOM 1261 CB HIS A 79 8.362 -31.110 -0.328 1.00 0.00 C ATOM 1262 CG HIS A 79 8.990 -30.915 -1.681 1.00 0.00 C ATOM 1263 ND1 HIS A 79 8.728 -29.802 -2.464 1.00 0.00 N ATOM 1264 CD2 HIS A 79 9.863 -31.687 -2.407 1.00 0.00 C ATOM 1265 CE1 HIS A 79 9.431 -29.932 -3.604 1.00 0.00 C ATOM 1266 NE2 HIS A 79 10.139 -31.064 -3.621 1.00 0.00 N ATOM 0 H HIS A 79 7.830 -28.773 -1.199 1.00 0.00 H new ATOM 0 HA HIS A 79 8.066 -29.973 1.477 1.00 0.00 H new ATOM 0 HB2 HIS A 79 8.842 -31.939 0.191 1.00 0.00 H new ATOM 0 HB3 HIS A 79 7.309 -31.370 -0.438 1.00 0.00 H new ATOM 0 HD2 HIS A 79 10.273 -32.633 -2.085 1.00 0.00 H new ATOM 0 HE1 HIS A 79 9.424 -29.209 -4.407 1.00 0.00 H new ATOM 0 HE2 HIS A 79 10.751 -31.400 -4.364 1.00 0.00 H new ATOM 1274 N HIS A 80 10.319 -28.222 0.401 1.00 0.00 N ATOM 1275 CA HIS A 80 11.701 -27.772 0.528 1.00 0.00 C ATOM 1276 C HIS A 80 12.196 -27.959 1.957 1.00 0.00 C ATOM 1277 O HIS A 80 13.322 -28.405 2.181 1.00 0.00 O ATOM 1278 CB HIS A 80 11.808 -26.296 0.140 1.00 0.00 C ATOM 1279 CG HIS A 80 13.243 -25.857 0.233 1.00 0.00 C ATOM 1280 ND1 HIS A 80 13.787 -25.352 1.404 1.00 0.00 N ATOM 1281 CD2 HIS A 80 14.261 -25.844 -0.689 1.00 0.00 C ATOM 1282 CE1 HIS A 80 15.077 -25.059 1.158 1.00 0.00 C ATOM 1283 NE2 HIS A 80 15.418 -25.339 -0.102 1.00 0.00 N ATOM 0 H HIS A 80 9.662 -27.499 0.106 1.00 0.00 H new ATOM 0 HA HIS A 80 12.320 -28.370 -0.141 1.00 0.00 H new ATOM 0 HB2 HIS A 80 11.436 -26.147 -0.874 1.00 0.00 H new ATOM 0 HB3 HIS A 80 11.187 -25.689 0.800 1.00 0.00 H new ATOM 0 HD2 HIS A 80 14.177 -26.175 -1.714 1.00 0.00 H new ATOM 0 HE1 HIS A 80 15.755 -24.647 1.891 1.00 0.00 H new ATOM 0 HE2 HIS A 80 16.330 -25.211 -0.540 1.00 0.00 H new ATOM 1291 N HIS A 81 11.347 -27.618 2.920 1.00 0.00 N ATOM 1292 CA HIS A 81 11.708 -27.753 4.326 1.00 0.00 C ATOM 1293 C HIS A 81 13.025 -27.038 4.614 1.00 0.00 C ATOM 1294 O HIS A 81 14.097 -27.637 4.541 1.00 0.00 O ATOM 1295 CB HIS A 81 11.840 -29.233 4.688 1.00 0.00 C ATOM 1296 CG HIS A 81 12.165 -29.365 6.149 1.00 0.00 C ATOM 1297 ND1 HIS A 81 11.252 -29.042 7.141 1.00 0.00 N ATOM 1298 CD2 HIS A 81 13.296 -29.787 6.805 1.00 0.00 C ATOM 1299 CE1 HIS A 81 11.843 -29.271 8.328 1.00 0.00 C ATOM 1300 NE2 HIS A 81 13.089 -29.727 8.180 1.00 0.00 N ATOM 0 H HIS A 81 10.411 -27.249 2.755 1.00 0.00 H new ATOM 0 HA HIS A 81 10.923 -27.298 4.929 1.00 0.00 H new ATOM 0 HB2 HIS A 81 10.912 -29.758 4.462 1.00 0.00 H new ATOM 0 HB3 HIS A 81 12.622 -29.697 4.087 1.00 0.00 H new ATOM 0 HD2 HIS A 81 14.207 -30.115 6.327 1.00 0.00 H new ATOM 0 HE1 HIS A 81 11.368 -29.106 9.284 1.00 0.00 H new ATOM 0 HE2 HIS A 81 13.748 -29.978 8.917 1.00 0.00 H new ATOM 1308 N HIS A 82 12.933 -25.753 4.942 1.00 0.00 N ATOM 1309 CA HIS A 82 14.121 -24.963 5.242 1.00 0.00 C ATOM 1310 C HIS A 82 14.651 -25.295 6.633 1.00 0.00 C ATOM 1311 O HIS A 82 13.886 -25.636 7.535 1.00 0.00 O ATOM 1312 CB HIS A 82 13.789 -23.471 5.163 1.00 0.00 C ATOM 1313 CG HIS A 82 12.780 -23.125 6.225 1.00 0.00 C ATOM 1314 ND1 HIS A 82 13.136 -22.944 7.551 1.00 0.00 N ATOM 1315 CD2 HIS A 82 11.423 -22.923 6.169 1.00 0.00 C ATOM 1316 CE1 HIS A 82 12.015 -22.647 8.235 1.00 0.00 C ATOM 1317 NE2 HIS A 82 10.943 -22.621 7.440 1.00 0.00 N ATOM 0 H HIS A 82 12.054 -25.240 5.006 1.00 0.00 H new ATOM 0 HA HIS A 82 14.889 -25.205 4.507 1.00 0.00 H new ATOM 0 HB2 HIS A 82 14.694 -22.878 5.299 1.00 0.00 H new ATOM 0 HB3 HIS A 82 13.393 -23.227 4.177 1.00 0.00 H new ATOM 0 HD1 HIS A 82 14.076 -23.022 7.939 1.00 0.00 H new ATOM 0 HD2 HIS A 82 10.820 -22.988 5.275 1.00 0.00 H new ATOM 0 HE1 HIS A 82 11.987 -22.453 9.297 1.00 0.00 H new ATOM 1325 N HIS A 83 15.966 -25.194 6.799 1.00 0.00 N ATOM 1326 CA HIS A 83 16.590 -25.487 8.085 1.00 0.00 C ATOM 1327 C HIS A 83 15.854 -24.770 9.213 1.00 0.00 C ATOM 1328 O HIS A 83 16.221 -24.978 10.358 1.00 0.00 O ATOM 1329 CB HIS A 83 18.054 -25.045 8.068 1.00 0.00 C ATOM 1330 CG HIS A 83 18.833 -25.923 7.126 1.00 0.00 C ATOM 1331 ND1 HIS A 83 18.916 -25.661 5.768 1.00 0.00 N ATOM 1332 CD2 HIS A 83 19.569 -27.063 7.334 1.00 0.00 C ATOM 1333 CE1 HIS A 83 19.677 -26.622 5.215 1.00 0.00 C ATOM 1334 NE2 HIS A 83 20.101 -27.502 6.125 1.00 0.00 N ATOM 1335 OXT HIS A 83 14.936 -24.024 8.916 1.00 0.00 O ATOM 0 H HIS A 83 16.616 -24.914 6.065 1.00 0.00 H new ATOM 0 HA HIS A 83 16.537 -26.562 8.257 1.00 0.00 H new ATOM 0 HB2 HIS A 83 18.127 -24.003 7.755 1.00 0.00 H new ATOM 0 HB3 HIS A 83 18.475 -25.107 9.071 1.00 0.00 H new ATOM 0 HD2 HIS A 83 19.713 -27.545 8.289 1.00 0.00 H new ATOM 0 HE1 HIS A 83 19.916 -26.675 4.163 1.00 0.00 H new ATOM 0 HE2 HIS A 83 20.689 -28.321 5.968 1.00 0.00 H new TER 1343 HIS A 83