USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 872 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 ASN : amide:sc= -5.43! C(o=-5!,f=-8!) USER MOD Set 1.2: A 87 LYS NZ :NH3+ 175:sc= 0.444 (180deg=-0.056) USER MOD Set 2.1: A 31 THR OG1 : rot 180:sc= -0.949 USER MOD Set 2.2: A 32 HIS : no HD1:sc= -1.39 K(o=-2.3,f=0.82) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= -0.655 (180deg=-0.68) USER MOD Single : A 4 GLN : amide:sc= -3.73! C(o=-3.7!,f=-6.6!) USER MOD Single : A 6 THR OG1 : rot -150:sc= -0.563 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -3.72! C(o=-3.7!,f=-5.1!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : A 19 ASN : amide:sc= -5.46! C(o=-5.5!,f=-3.2!) USER MOD Single : A 21 LYS NZ :NH3+ 158:sc= -0.0894 (180deg=-0.712) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -2.56! C(o=-2.6!,f=-3.4!) USER MOD Single : A 30 ASN : amide:sc= -3.45! K(o=-3.4!,f=-6.2) USER MOD Single : A 34 SER OG : rot -83:sc= -0.0563 USER MOD Single : A 36 SER OG : rot -59:sc= -1.8! USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 45 THR OG1 : rot -88:sc= 0.211 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0076 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.0339 K(o=-0.034,f=-1.8!) USER MOD Single : A 63 GLN : amide:sc= -1.02 K(o=-1,f=-5!) USER MOD Single : A 66 SER OG : rot -160:sc= -0.227 USER MOD Single : A 67 TYR OH : rot 80:sc= 0.506 USER MOD Single : A 71 SER OG : rot 180:sc= -0.232 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.816 X(o=-0.82,f=-0.53!) USER MOD Single : A 82 GLN : amide:sc= -1.82! X(o=-1.8!,f=-1.7) USER MOD Single : A 84 GLN : amide:sc= -1.47! K(o=-1.5!,f=-0.084) USER MOD Single : A 88 ASN : amide:sc= -0.0164 K(o=-0.016,f=-1.1) USER MOD Single : A 89 SER OG : rot -93:sc= -0.714 USER MOD Single : A 90 SER OG : rot -108:sc= -5.81! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc=-0.00129 X(o=-0.0013,f=-0.01) USER MOD Single : A 105 HIS : no HD1:sc= -3.03! C(o=-3!,f=-7.6!) USER MOD Single : A 106 HIS : no HD1:sc= -0.0473 X(o=-0.047,f=-0.09) USER MOD Single : A 107 HIS : no HD1:sc= -0.444 K(o=-0.44,f=-1.5) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=-0.05) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.026 14.726 -17.423 1.00 0.00 N ATOM 2 CA MET A 1 -9.778 13.614 -16.775 1.00 0.00 C ATOM 3 C MET A 1 -8.858 12.894 -15.785 1.00 0.00 C ATOM 4 O MET A 1 -8.935 11.695 -15.609 1.00 0.00 O ATOM 5 CB MET A 1 -10.246 12.628 -17.847 1.00 0.00 C ATOM 6 CG MET A 1 -11.266 13.316 -18.756 1.00 0.00 C ATOM 7 SD MET A 1 -11.802 12.162 -20.043 1.00 0.00 S ATOM 8 CE MET A 1 -12.706 13.360 -21.054 1.00 0.00 C ATOM 0 H1 MET A 1 -9.682 15.311 -17.979 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.574 15.312 -16.692 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.296 14.332 -18.051 1.00 0.00 H new ATOM 0 HA MET A 1 -10.643 14.013 -16.246 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.396 12.280 -18.433 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.692 11.750 -17.380 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.123 13.649 -18.171 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.825 14.204 -19.209 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.131 12.856 -21.922 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.508 13.803 -20.463 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.025 14.143 -21.386 1.00 0.00 H new ATOM 20 N GLU A 2 -7.987 13.622 -15.143 1.00 0.00 N ATOM 21 CA GLU A 2 -7.055 12.992 -14.167 1.00 0.00 C ATOM 22 C GLU A 2 -7.859 12.174 -13.142 1.00 0.00 C ATOM 23 O GLU A 2 -9.005 12.475 -12.871 1.00 0.00 O ATOM 24 CB GLU A 2 -6.271 14.098 -13.447 1.00 0.00 C ATOM 25 CG GLU A 2 -5.155 14.617 -14.358 1.00 0.00 C ATOM 26 CD GLU A 2 -5.763 15.172 -15.649 1.00 0.00 C ATOM 27 OE1 GLU A 2 -6.657 15.996 -15.551 1.00 0.00 O ATOM 28 OE2 GLU A 2 -5.325 14.763 -16.710 1.00 0.00 O ATOM 0 H GLU A 2 -7.880 14.630 -15.253 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.364 12.329 -14.687 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.941 14.914 -13.175 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -5.847 13.712 -12.520 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -4.587 15.395 -13.848 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -4.457 13.813 -14.589 1.00 0.00 H new ATOM 35 N PRO A 3 -7.267 11.148 -12.568 1.00 0.00 N ATOM 36 CA PRO A 3 -7.952 10.286 -11.554 1.00 0.00 C ATOM 37 C PRO A 3 -8.152 11.018 -10.217 1.00 0.00 C ATOM 38 O PRO A 3 -7.736 12.146 -10.050 1.00 0.00 O ATOM 39 CB PRO A 3 -7.004 9.088 -11.402 1.00 0.00 C ATOM 40 CG PRO A 3 -5.654 9.631 -11.738 1.00 0.00 C ATOM 41 CD PRO A 3 -5.886 10.689 -12.819 1.00 0.00 C ATOM 0 HA PRO A 3 -8.956 9.997 -11.864 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -7.029 8.688 -10.388 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.282 8.275 -12.072 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -5.179 10.068 -10.860 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -4.994 8.842 -12.099 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -5.171 11.508 -12.738 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -5.779 10.270 -13.819 1.00 0.00 H new ATOM 49 N GLN A 4 -8.795 10.386 -9.269 1.00 0.00 N ATOM 50 CA GLN A 4 -9.032 11.050 -7.952 1.00 0.00 C ATOM 51 C GLN A 4 -7.747 11.042 -7.119 1.00 0.00 C ATOM 52 O GLN A 4 -7.206 9.994 -6.801 1.00 0.00 O ATOM 53 CB GLN A 4 -10.126 10.295 -7.195 1.00 0.00 C ATOM 54 CG GLN A 4 -11.434 10.349 -7.990 1.00 0.00 C ATOM 55 CD GLN A 4 -11.361 9.373 -9.166 1.00 0.00 C ATOM 56 OE1 GLN A 4 -10.912 9.729 -10.238 1.00 0.00 O ATOM 57 NE2 GLN A 4 -11.786 8.149 -9.012 1.00 0.00 N ATOM 0 H GLN A 4 -9.166 9.439 -9.350 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.341 12.081 -8.124 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.826 9.259 -7.040 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.270 10.736 -6.209 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -12.274 10.094 -7.344 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -11.608 11.361 -8.355 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -12.163 7.849 -8.113 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -11.741 7.492 -9.791 1.00 0.00 H new ATOM 66 N LEU A 5 -7.255 12.203 -6.756 1.00 0.00 N ATOM 67 CA LEU A 5 -6.003 12.270 -5.945 1.00 0.00 C ATOM 68 C LEU A 5 -6.352 12.243 -4.456 1.00 0.00 C ATOM 69 O LEU A 5 -7.140 13.035 -3.976 1.00 0.00 O ATOM 70 CB LEU A 5 -5.259 13.574 -6.269 1.00 0.00 C ATOM 71 CG LEU A 5 -4.500 13.439 -7.598 1.00 0.00 C ATOM 72 CD1 LEU A 5 -3.303 12.475 -7.452 1.00 0.00 C ATOM 73 CD2 LEU A 5 -5.458 12.920 -8.675 1.00 0.00 C ATOM 0 H LEU A 5 -7.669 13.106 -6.988 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.370 11.415 -6.183 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.968 14.400 -6.330 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.561 13.811 -5.466 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.115 14.418 -7.885 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.781 12.396 -8.406 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.618 12.857 -6.695 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.663 11.491 -7.152 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.924 12.822 -9.620 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.848 11.947 -8.377 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -6.284 13.621 -8.795 1.00 0.00 H new ATOM 85 N THR A 6 -5.760 11.332 -3.727 1.00 0.00 N ATOM 86 CA THR A 6 -6.028 11.221 -2.254 1.00 0.00 C ATOM 87 C THR A 6 -4.708 11.374 -1.492 1.00 0.00 C ATOM 88 O THR A 6 -3.674 10.905 -1.928 1.00 0.00 O ATOM 89 CB THR A 6 -6.634 9.851 -1.949 1.00 0.00 C ATOM 90 OG1 THR A 6 -7.818 9.679 -2.717 1.00 0.00 O ATOM 91 CG2 THR A 6 -6.975 9.762 -0.461 1.00 0.00 C ATOM 0 H THR A 6 -5.094 10.651 -4.091 1.00 0.00 H new ATOM 0 HA THR A 6 -6.724 12.002 -1.947 1.00 0.00 H new ATOM 0 HB THR A 6 -5.916 9.071 -2.203 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.441 9.098 -2.232 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.407 8.785 -0.245 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.068 9.897 0.129 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.693 10.541 -0.205 1.00 0.00 H new ATOM 99 N LYS A 7 -4.726 12.035 -0.361 1.00 0.00 N ATOM 100 CA LYS A 7 -3.467 12.226 0.422 1.00 0.00 C ATOM 101 C LYS A 7 -3.354 11.153 1.507 1.00 0.00 C ATOM 102 O LYS A 7 -4.341 10.673 2.029 1.00 0.00 O ATOM 103 CB LYS A 7 -3.495 13.600 1.094 1.00 0.00 C ATOM 104 CG LYS A 7 -3.532 14.693 0.025 1.00 0.00 C ATOM 105 CD LYS A 7 -3.438 16.077 0.682 1.00 0.00 C ATOM 106 CE LYS A 7 -4.711 16.373 1.483 1.00 0.00 C ATOM 107 NZ LYS A 7 -4.784 17.832 1.775 1.00 0.00 N ATOM 0 H LYS A 7 -5.560 12.451 0.054 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.615 12.151 -0.254 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.368 13.681 1.742 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.616 13.725 1.726 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.707 14.557 -0.674 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.454 14.617 -0.552 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.569 16.117 1.339 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.295 16.841 -0.082 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.590 16.059 0.919 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.709 15.804 2.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.647 18.034 2.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.951 18.117 2.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.805 18.364 0.882 1.00 0.00 H new ATOM 121 N ILE A 8 -2.153 10.760 1.836 1.00 0.00 N ATOM 122 CA ILE A 8 -1.962 9.705 2.871 1.00 0.00 C ATOM 123 C ILE A 8 -2.560 10.185 4.195 1.00 0.00 C ATOM 124 O ILE A 8 -3.234 9.449 4.888 1.00 0.00 O ATOM 125 CB ILE A 8 -0.462 9.460 3.059 1.00 0.00 C ATOM 126 CG1 ILE A 8 0.118 8.840 1.783 1.00 0.00 C ATOM 127 CG2 ILE A 8 -0.236 8.503 4.233 1.00 0.00 C ATOM 128 CD1 ILE A 8 1.649 8.840 1.850 1.00 0.00 C ATOM 0 H ILE A 8 -1.292 11.127 1.430 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.454 8.784 2.557 1.00 0.00 H new ATOM 0 HB ILE A 8 0.033 10.409 3.265 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.249 7.821 1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.216 9.402 0.911 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.833 8.332 4.362 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -0.646 8.940 5.143 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.733 7.554 4.030 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.053 8.398 0.939 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.009 9.864 1.947 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.975 8.258 2.712 1.00 0.00 H new ATOM 140 N VAL A 9 -2.320 11.415 4.549 1.00 0.00 N ATOM 141 CA VAL A 9 -2.875 11.947 5.824 1.00 0.00 C ATOM 142 C VAL A 9 -4.403 12.001 5.727 1.00 0.00 C ATOM 143 O VAL A 9 -5.094 12.137 6.717 1.00 0.00 O ATOM 144 CB VAL A 9 -2.320 13.350 6.076 1.00 0.00 C ATOM 145 CG1 VAL A 9 -2.845 14.313 5.007 1.00 0.00 C ATOM 146 CG2 VAL A 9 -2.758 13.828 7.462 1.00 0.00 C ATOM 0 H VAL A 9 -1.762 12.077 4.009 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.589 11.296 6.650 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.231 13.324 6.029 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.448 15.311 5.190 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.528 13.971 4.022 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.934 14.343 5.047 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.363 14.828 7.644 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.847 13.853 7.511 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.376 13.144 8.220 1.00 0.00 H new ATOM 156 N ASP A 10 -4.934 11.894 4.536 1.00 0.00 N ATOM 157 CA ASP A 10 -6.418 11.936 4.360 1.00 0.00 C ATOM 158 C ASP A 10 -6.991 10.517 4.418 1.00 0.00 C ATOM 159 O ASP A 10 -8.149 10.296 4.122 1.00 0.00 O ATOM 160 CB ASP A 10 -6.751 12.555 3.001 1.00 0.00 C ATOM 161 CG ASP A 10 -8.270 12.602 2.819 1.00 0.00 C ATOM 162 OD1 ASP A 10 -8.917 13.302 3.579 1.00 0.00 O ATOM 163 OD2 ASP A 10 -8.760 11.934 1.923 1.00 0.00 O ATOM 0 H ASP A 10 -4.402 11.779 3.674 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.855 12.536 5.159 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.335 13.560 2.936 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.296 11.970 2.202 1.00 0.00 H new ATOM 168 N ILE A 11 -6.194 9.550 4.797 1.00 0.00 N ATOM 169 CA ILE A 11 -6.703 8.146 4.874 1.00 0.00 C ATOM 170 C ILE A 11 -7.280 7.874 6.265 1.00 0.00 C ATOM 171 O ILE A 11 -6.599 7.998 7.265 1.00 0.00 O ATOM 172 CB ILE A 11 -5.553 7.170 4.605 1.00 0.00 C ATOM 173 CG1 ILE A 11 -5.068 7.339 3.163 1.00 0.00 C ATOM 174 CG2 ILE A 11 -6.036 5.732 4.816 1.00 0.00 C ATOM 175 CD1 ILE A 11 -3.775 6.544 2.963 1.00 0.00 C ATOM 0 H ILE A 11 -5.215 9.671 5.056 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.485 8.010 4.127 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.734 7.379 5.293 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.832 6.992 2.468 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.896 8.393 2.947 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.215 5.041 4.624 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.380 5.611 5.843 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.857 5.520 4.131 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.429 6.664 1.936 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.012 6.912 3.648 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.962 5.489 3.162 1.00 0.00 H new ATOM 187 N VAL A 12 -8.529 7.486 6.336 1.00 0.00 N ATOM 188 CA VAL A 12 -9.154 7.184 7.663 1.00 0.00 C ATOM 189 C VAL A 12 -10.094 5.979 7.531 1.00 0.00 C ATOM 190 O VAL A 12 -10.693 5.545 8.495 1.00 0.00 O ATOM 191 CB VAL A 12 -9.935 8.405 8.157 1.00 0.00 C ATOM 192 CG1 VAL A 12 -8.971 9.576 8.351 1.00 0.00 C ATOM 193 CG2 VAL A 12 -10.999 8.789 7.126 1.00 0.00 C ATOM 0 H VAL A 12 -9.145 7.365 5.532 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.371 6.947 8.384 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.420 8.166 9.104 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.523 10.447 8.703 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.213 9.305 9.086 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.488 9.811 7.402 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.553 9.658 7.481 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.517 9.028 6.178 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.686 7.955 6.984 1.00 0.00 H new ATOM 203 N GLU A 13 -10.221 5.430 6.344 1.00 0.00 N ATOM 204 CA GLU A 13 -11.114 4.242 6.140 1.00 0.00 C ATOM 205 C GLU A 13 -10.351 3.171 5.353 1.00 0.00 C ATOM 206 O GLU A 13 -9.697 3.458 4.370 1.00 0.00 O ATOM 207 CB GLU A 13 -12.356 4.671 5.352 1.00 0.00 C ATOM 208 CG GLU A 13 -13.318 3.487 5.221 1.00 0.00 C ATOM 209 CD GLU A 13 -14.583 3.937 4.487 1.00 0.00 C ATOM 210 OE1 GLU A 13 -14.451 4.593 3.465 1.00 0.00 O ATOM 211 OE2 GLU A 13 -15.663 3.620 4.959 1.00 0.00 O ATOM 0 H GLU A 13 -9.742 5.755 5.504 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.420 3.838 7.105 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.851 5.500 5.858 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.066 5.028 4.364 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.839 2.674 4.676 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.575 3.102 6.208 1.00 0.00 H new ATOM 218 N ASN A 14 -10.426 1.937 5.782 1.00 0.00 N ATOM 219 CA ASN A 14 -9.704 0.842 5.065 1.00 0.00 C ATOM 220 C ASN A 14 -10.609 0.241 3.986 1.00 0.00 C ATOM 221 O ASN A 14 -11.818 0.360 4.041 1.00 0.00 O ATOM 222 CB ASN A 14 -9.316 -0.248 6.067 1.00 0.00 C ATOM 223 CG ASN A 14 -10.579 -0.849 6.691 1.00 0.00 C ATOM 224 OD1 ASN A 14 -11.672 -0.629 6.210 1.00 0.00 O ATOM 225 ND2 ASN A 14 -10.474 -1.599 7.753 1.00 0.00 N ATOM 0 H ASN A 14 -10.958 1.640 6.600 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.808 1.248 4.596 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -8.740 -1.027 5.567 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.678 0.171 6.845 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -11.310 -2.000 8.179 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -9.556 -1.784 8.158 1.00 0.00 H new ATOM 232 N GLY A 15 -10.037 -0.410 3.009 1.00 0.00 N ATOM 233 CA GLY A 15 -10.869 -1.022 1.933 1.00 0.00 C ATOM 234 C GLY A 15 -11.411 0.074 1.019 1.00 0.00 C ATOM 235 O GLY A 15 -12.387 -0.114 0.319 1.00 0.00 O ATOM 0 H GLY A 15 -9.031 -0.544 2.909 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.273 -1.729 1.356 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.693 -1.584 2.372 1.00 0.00 H new ATOM 239 N GLN A 16 -10.787 1.222 1.021 1.00 0.00 N ATOM 240 CA GLN A 16 -11.258 2.347 0.157 1.00 0.00 C ATOM 241 C GLN A 16 -10.420 2.401 -1.122 1.00 0.00 C ATOM 242 O GLN A 16 -9.247 2.079 -1.124 1.00 0.00 O ATOM 243 CB GLN A 16 -11.112 3.659 0.930 1.00 0.00 C ATOM 244 CG GLN A 16 -11.545 4.833 0.052 1.00 0.00 C ATOM 245 CD GLN A 16 -11.632 6.095 0.912 1.00 0.00 C ATOM 246 OE1 GLN A 16 -12.347 6.126 1.894 1.00 0.00 O ATOM 247 NE2 GLN A 16 -10.920 7.141 0.593 1.00 0.00 N ATOM 0 H GLN A 16 -9.965 1.431 1.588 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.303 2.194 -0.113 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.719 3.627 1.835 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -10.077 3.792 1.245 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.832 4.979 -0.759 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.511 4.623 -0.407 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.319 7.117 -0.231 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.964 7.983 1.168 1.00 0.00 H new ATOM 256 N TRP A 17 -11.020 2.800 -2.215 1.00 0.00 N ATOM 257 CA TRP A 17 -10.276 2.876 -3.509 1.00 0.00 C ATOM 258 C TRP A 17 -9.816 4.313 -3.752 1.00 0.00 C ATOM 259 O TRP A 17 -10.562 5.255 -3.567 1.00 0.00 O ATOM 260 CB TRP A 17 -11.203 2.439 -4.646 1.00 0.00 C ATOM 261 CG TRP A 17 -11.401 0.958 -4.582 1.00 0.00 C ATOM 262 CD1 TRP A 17 -12.439 0.338 -3.976 1.00 0.00 C ATOM 263 CD2 TRP A 17 -10.560 -0.096 -5.135 1.00 0.00 C ATOM 264 NE1 TRP A 17 -12.288 -1.029 -4.120 1.00 0.00 N ATOM 265 CE2 TRP A 17 -11.145 -1.347 -4.827 1.00 0.00 C ATOM 266 CE3 TRP A 17 -9.357 -0.088 -5.865 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -10.559 -2.548 -5.229 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -8.765 -1.294 -6.272 1.00 0.00 C ATOM 269 CH2 TRP A 17 -9.364 -2.521 -5.955 1.00 0.00 C ATOM 0 H TRP A 17 -12.000 3.078 -2.267 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.406 2.221 -3.470 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -12.163 2.949 -4.565 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -10.774 2.719 -5.608 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -13.253 0.830 -3.464 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -12.941 -1.719 -3.749 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -8.886 0.852 -6.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -11.024 -3.491 -4.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -7.842 -1.276 -6.833 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -8.903 -3.445 -6.271 1.00 0.00 H new ATOM 280 N ALA A 18 -8.589 4.489 -4.163 1.00 0.00 N ATOM 281 CA ALA A 18 -8.075 5.866 -4.414 1.00 0.00 C ATOM 282 C ALA A 18 -6.888 5.817 -5.381 1.00 0.00 C ATOM 283 O ALA A 18 -6.355 4.761 -5.680 1.00 0.00 O ATOM 284 CB ALA A 18 -7.634 6.495 -3.092 1.00 0.00 C ATOM 0 H ALA A 18 -7.920 3.738 -4.336 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.869 6.467 -4.858 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.258 7.502 -3.275 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.484 6.543 -2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.845 5.889 -2.646 1.00 0.00 H new ATOM 290 N ASN A 19 -6.473 6.964 -5.868 1.00 0.00 N ATOM 291 CA ASN A 19 -5.318 7.024 -6.815 1.00 0.00 C ATOM 292 C ASN A 19 -4.352 8.120 -6.362 1.00 0.00 C ATOM 293 O ASN A 19 -4.762 9.199 -5.985 1.00 0.00 O ATOM 294 CB ASN A 19 -5.845 7.351 -8.211 1.00 0.00 C ATOM 295 CG ASN A 19 -6.874 6.294 -8.614 1.00 0.00 C ATOM 296 OD1 ASN A 19 -7.782 6.569 -9.374 1.00 0.00 O ATOM 297 ND2 ASN A 19 -6.774 5.089 -8.126 1.00 0.00 N ATOM 0 H ASN A 19 -6.891 7.868 -5.646 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.796 6.067 -6.832 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.300 8.342 -8.219 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.025 7.371 -8.928 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.458 4.377 -8.382 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.012 4.859 -7.488 1.00 0.00 H new ATOM 304 N LEU A 20 -3.070 7.859 -6.393 1.00 0.00 N ATOM 305 CA LEU A 20 -2.090 8.893 -5.967 1.00 0.00 C ATOM 306 C LEU A 20 -0.706 8.586 -6.540 1.00 0.00 C ATOM 307 O LEU A 20 -0.509 7.596 -7.217 1.00 0.00 O ATOM 308 CB LEU A 20 -2.041 8.976 -4.434 1.00 0.00 C ATOM 309 CG LEU A 20 -1.460 7.717 -3.762 1.00 0.00 C ATOM 310 CD1 LEU A 20 -2.136 6.461 -4.309 1.00 0.00 C ATOM 311 CD2 LEU A 20 0.071 7.627 -3.941 1.00 0.00 C ATOM 0 H LEU A 20 -2.663 6.974 -6.695 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.409 9.861 -6.354 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.442 9.840 -4.145 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.049 9.146 -4.056 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.662 7.791 -2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.714 5.580 -3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.207 6.508 -4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.970 6.398 -5.384 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.442 6.726 -3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.312 7.590 -5.003 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.542 8.502 -3.493 1.00 0.00 H new ATOM 323 N LYS A 21 0.259 9.432 -6.264 1.00 0.00 N ATOM 324 CA LYS A 21 1.652 9.207 -6.771 1.00 0.00 C ATOM 325 C LYS A 21 2.619 9.304 -5.591 1.00 0.00 C ATOM 326 O LYS A 21 2.381 10.026 -4.643 1.00 0.00 O ATOM 327 CB LYS A 21 2.009 10.263 -7.833 1.00 0.00 C ATOM 328 CG LYS A 21 2.176 11.648 -7.190 1.00 0.00 C ATOM 329 CD LYS A 21 2.452 12.684 -8.281 1.00 0.00 C ATOM 330 CE LYS A 21 2.604 14.065 -7.643 1.00 0.00 C ATOM 331 NZ LYS A 21 3.734 14.045 -6.670 1.00 0.00 N ATOM 0 H LYS A 21 0.140 10.276 -5.704 1.00 0.00 H new ATOM 0 HA LYS A 21 1.723 8.222 -7.231 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.931 9.979 -8.340 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.227 10.301 -8.592 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.275 11.916 -6.638 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.996 11.632 -6.473 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.359 12.421 -8.826 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.636 12.693 -9.004 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.787 14.814 -8.413 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.680 14.347 -7.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.080 15.014 -6.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.406 13.650 -5.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.505 13.457 -7.046 1.00 0.00 H new ATOM 345 N ALA A 22 3.698 8.574 -5.628 1.00 0.00 N ATOM 346 CA ALA A 22 4.655 8.632 -4.482 1.00 0.00 C ATOM 347 C ALA A 22 6.075 8.257 -4.910 1.00 0.00 C ATOM 348 O ALA A 22 6.294 7.589 -5.901 1.00 0.00 O ATOM 349 CB ALA A 22 4.171 7.679 -3.386 1.00 0.00 C ATOM 0 H ALA A 22 3.959 7.947 -6.389 1.00 0.00 H new ATOM 0 HA ALA A 22 4.687 9.655 -4.108 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.862 7.712 -2.544 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.178 7.981 -3.053 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.128 6.664 -3.780 1.00 0.00 H new ATOM 355 N LYS A 23 7.040 8.700 -4.147 1.00 0.00 N ATOM 356 CA LYS A 23 8.470 8.405 -4.459 1.00 0.00 C ATOM 357 C LYS A 23 8.908 7.149 -3.712 1.00 0.00 C ATOM 358 O LYS A 23 8.375 6.820 -2.673 1.00 0.00 O ATOM 359 CB LYS A 23 9.332 9.589 -4.022 1.00 0.00 C ATOM 360 CG LYS A 23 10.794 9.318 -4.375 1.00 0.00 C ATOM 361 CD LYS A 23 11.640 10.541 -4.020 1.00 0.00 C ATOM 362 CE LYS A 23 13.099 10.272 -4.392 1.00 0.00 C ATOM 363 NZ LYS A 23 13.924 11.472 -4.075 1.00 0.00 N ATOM 0 H LYS A 23 6.895 9.262 -3.308 1.00 0.00 H new ATOM 0 HA LYS A 23 8.586 8.243 -5.531 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.992 10.500 -4.514 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.230 9.749 -2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.154 8.444 -3.833 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.887 9.094 -5.438 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.273 11.418 -4.552 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.558 10.757 -2.955 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.471 9.407 -3.844 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.177 10.034 -5.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.916 11.288 -4.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.574 12.287 -4.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.859 11.679 -3.058 1.00 0.00 H new ATOM 377 N VAL A 24 9.871 6.433 -4.238 1.00 0.00 N ATOM 378 CA VAL A 24 10.335 5.185 -3.559 1.00 0.00 C ATOM 379 C VAL A 24 11.550 5.481 -2.673 1.00 0.00 C ATOM 380 O VAL A 24 12.669 5.564 -3.139 1.00 0.00 O ATOM 381 CB VAL A 24 10.722 4.163 -4.628 1.00 0.00 C ATOM 382 CG1 VAL A 24 11.235 2.882 -3.961 1.00 0.00 C ATOM 383 CG2 VAL A 24 9.493 3.840 -5.483 1.00 0.00 C ATOM 0 H VAL A 24 10.355 6.659 -5.107 1.00 0.00 H new ATOM 0 HA VAL A 24 9.534 4.793 -2.932 1.00 0.00 H new ATOM 0 HB VAL A 24 11.510 4.576 -5.258 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.509 2.157 -4.728 1.00 0.00 H new ATOM 0 HG12 VAL A 24 12.109 3.114 -3.352 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.452 2.463 -3.329 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.763 3.111 -6.247 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.707 3.428 -4.850 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.133 4.751 -5.961 1.00 0.00 H new ATOM 393 N ILE A 25 11.334 5.629 -1.396 1.00 0.00 N ATOM 394 CA ILE A 25 12.471 5.904 -0.469 1.00 0.00 C ATOM 395 C ILE A 25 13.305 4.633 -0.278 1.00 0.00 C ATOM 396 O ILE A 25 14.481 4.695 0.025 1.00 0.00 O ATOM 397 CB ILE A 25 11.932 6.365 0.890 1.00 0.00 C ATOM 398 CG1 ILE A 25 11.055 7.624 0.716 1.00 0.00 C ATOM 399 CG2 ILE A 25 13.101 6.655 1.839 1.00 0.00 C ATOM 400 CD1 ILE A 25 11.915 8.898 0.652 1.00 0.00 C ATOM 0 H ILE A 25 10.418 5.572 -0.952 1.00 0.00 H new ATOM 0 HA ILE A 25 13.096 6.687 -0.898 1.00 0.00 H new ATOM 0 HB ILE A 25 11.317 5.573 1.318 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.464 7.535 -0.195 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.352 7.698 1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.714 6.982 2.804 1.00 0.00 H new ATOM 0 HG22 ILE A 25 13.693 5.750 1.974 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.728 7.439 1.415 1.00 0.00 H new ATOM 0 HD11 ILE A 25 11.269 9.767 0.529 1.00 0.00 H new ATOM 0 HD12 ILE A 25 12.486 8.998 1.575 1.00 0.00 H new ATOM 0 HD13 ILE A 25 12.600 8.833 -0.193 1.00 0.00 H new ATOM 412 N GLN A 26 12.715 3.479 -0.456 1.00 0.00 N ATOM 413 CA GLN A 26 13.491 2.217 -0.283 1.00 0.00 C ATOM 414 C GLN A 26 12.697 1.039 -0.859 1.00 0.00 C ATOM 415 O GLN A 26 11.489 1.097 -0.992 1.00 0.00 O ATOM 416 CB GLN A 26 13.764 1.983 1.205 1.00 0.00 C ATOM 417 CG GLN A 26 14.598 0.711 1.379 1.00 0.00 C ATOM 418 CD GLN A 26 15.056 0.591 2.834 1.00 0.00 C ATOM 419 OE1 GLN A 26 14.280 0.795 3.747 1.00 0.00 O ATOM 420 NE2 GLN A 26 16.293 0.264 3.091 1.00 0.00 N ATOM 0 H GLN A 26 11.735 3.357 -0.712 1.00 0.00 H new ATOM 0 HA GLN A 26 14.440 2.300 -0.813 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.293 2.838 1.627 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.823 1.891 1.748 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.009 -0.163 1.100 1.00 0.00 H new ATOM 0 HG3 GLN A 26 15.463 0.738 0.716 1.00 0.00 H new ATOM 0 HE21 GLN A 26 16.945 0.093 2.325 1.00 0.00 H new ATOM 0 HE22 GLN A 26 16.608 0.180 4.057 1.00 0.00 H new ATOM 429 N LEU A 27 13.375 -0.034 -1.198 1.00 0.00 N ATOM 430 CA LEU A 27 12.686 -1.239 -1.771 1.00 0.00 C ATOM 431 C LEU A 27 13.079 -2.492 -0.985 1.00 0.00 C ATOM 432 O LEU A 27 14.145 -2.570 -0.408 1.00 0.00 O ATOM 433 CB LEU A 27 13.068 -1.404 -3.253 1.00 0.00 C ATOM 434 CG LEU A 27 14.519 -1.895 -3.408 1.00 0.00 C ATOM 435 CD1 LEU A 27 14.856 -1.982 -4.900 1.00 0.00 C ATOM 436 CD2 LEU A 27 15.489 -0.918 -2.717 1.00 0.00 C ATOM 0 H LEU A 27 14.386 -0.128 -1.101 1.00 0.00 H new ATOM 0 HA LEU A 27 11.607 -1.101 -1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.390 -2.113 -3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 27 12.947 -0.452 -3.770 1.00 0.00 H new ATOM 0 HG LEU A 27 14.621 -2.876 -2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 27 15.882 -2.329 -5.022 1.00 0.00 H new ATOM 0 HD12 LEU A 27 14.176 -2.682 -5.386 1.00 0.00 H new ATOM 0 HD13 LEU A 27 14.750 -0.997 -5.355 1.00 0.00 H new ATOM 0 HD21 LEU A 27 16.512 -1.277 -2.834 1.00 0.00 H new ATOM 0 HD22 LEU A 27 15.396 0.069 -3.171 1.00 0.00 H new ATOM 0 HD23 LEU A 27 15.246 -0.854 -1.656 1.00 0.00 H new ATOM 448 N TRP A 28 12.223 -3.485 -0.971 1.00 0.00 N ATOM 449 CA TRP A 28 12.536 -4.750 -0.240 1.00 0.00 C ATOM 450 C TRP A 28 11.959 -5.939 -1.018 1.00 0.00 C ATOM 451 O TRP A 28 10.778 -6.003 -1.295 1.00 0.00 O ATOM 452 CB TRP A 28 11.925 -4.692 1.167 1.00 0.00 C ATOM 453 CG TRP A 28 12.791 -3.849 2.048 1.00 0.00 C ATOM 454 CD1 TRP A 28 12.810 -2.497 2.057 1.00 0.00 C ATOM 455 CD2 TRP A 28 13.768 -4.279 3.038 1.00 0.00 C ATOM 456 NE1 TRP A 28 13.740 -2.070 2.989 1.00 0.00 N ATOM 457 CE2 TRP A 28 14.355 -3.133 3.620 1.00 0.00 C ATOM 458 CE3 TRP A 28 14.195 -5.543 3.482 1.00 0.00 C ATOM 459 CZ2 TRP A 28 15.335 -3.235 4.608 1.00 0.00 C ATOM 460 CZ3 TRP A 28 15.181 -5.650 4.477 1.00 0.00 C ATOM 461 CH2 TRP A 28 15.750 -4.498 5.039 1.00 0.00 C ATOM 0 H TRP A 28 11.316 -3.472 -1.438 1.00 0.00 H new ATOM 0 HA TRP A 28 13.616 -4.870 -0.152 1.00 0.00 H new ATOM 0 HB2 TRP A 28 10.918 -4.276 1.122 1.00 0.00 H new ATOM 0 HB3 TRP A 28 11.836 -5.697 1.579 1.00 0.00 H new ATOM 0 HD1 TRP A 28 12.200 -1.856 1.439 1.00 0.00 H new ATOM 0 HE1 TRP A 28 13.946 -1.090 3.185 1.00 0.00 H new ATOM 0 HE3 TRP A 28 13.763 -6.436 3.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 15.770 -2.344 5.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 15.503 -6.625 4.811 1.00 0.00 H new ATOM 0 HH2 TRP A 28 16.508 -4.587 5.804 1.00 0.00 H new ATOM 472 N GLU A 29 12.795 -6.876 -1.374 1.00 0.00 N ATOM 473 CA GLU A 29 12.317 -8.064 -2.144 1.00 0.00 C ATOM 474 C GLU A 29 11.422 -8.923 -1.251 1.00 0.00 C ATOM 475 O GLU A 29 11.693 -9.100 -0.080 1.00 0.00 O ATOM 476 CB GLU A 29 13.522 -8.888 -2.609 1.00 0.00 C ATOM 477 CG GLU A 29 14.316 -9.378 -1.392 1.00 0.00 C ATOM 478 CD GLU A 29 15.581 -10.099 -1.864 1.00 0.00 C ATOM 479 OE1 GLU A 29 16.166 -9.652 -2.837 1.00 0.00 O ATOM 480 OE2 GLU A 29 15.944 -11.084 -1.243 1.00 0.00 O ATOM 0 H GLU A 29 13.793 -6.871 -1.165 1.00 0.00 H new ATOM 0 HA GLU A 29 11.749 -7.731 -3.013 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.186 -9.739 -3.202 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.161 -8.284 -3.253 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.582 -8.535 -0.754 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.704 -10.051 -0.792 1.00 0.00 H new ATOM 487 N ASN A 30 10.354 -9.458 -1.785 1.00 0.00 N ATOM 488 CA ASN A 30 9.460 -10.296 -0.940 1.00 0.00 C ATOM 489 C ASN A 30 10.254 -11.477 -0.371 1.00 0.00 C ATOM 490 O ASN A 30 11.065 -12.075 -1.051 1.00 0.00 O ATOM 491 CB ASN A 30 8.288 -10.814 -1.785 1.00 0.00 C ATOM 492 CG ASN A 30 8.755 -11.952 -2.701 1.00 0.00 C ATOM 493 OD1 ASN A 30 9.789 -11.860 -3.330 1.00 0.00 O ATOM 494 ND2 ASN A 30 8.027 -13.029 -2.794 1.00 0.00 N ATOM 0 H ASN A 30 10.067 -9.351 -2.758 1.00 0.00 H new ATOM 0 HA ASN A 30 9.069 -9.696 -0.118 1.00 0.00 H new ATOM 0 HB2 ASN A 30 7.489 -11.167 -1.133 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.875 -10.002 -2.384 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.326 -13.796 -3.396 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.158 -13.105 -2.265 1.00 0.00 H new ATOM 501 N THR A 31 10.019 -11.823 0.866 1.00 0.00 N ATOM 502 CA THR A 31 10.748 -12.974 1.480 1.00 0.00 C ATOM 503 C THR A 31 9.859 -14.216 1.410 1.00 0.00 C ATOM 504 O THR A 31 10.237 -15.289 1.836 1.00 0.00 O ATOM 505 CB THR A 31 11.065 -12.657 2.945 1.00 0.00 C ATOM 506 OG1 THR A 31 9.854 -12.549 3.678 1.00 0.00 O ATOM 507 CG2 THR A 31 11.837 -11.338 3.032 1.00 0.00 C ATOM 0 H THR A 31 9.352 -11.357 1.481 1.00 0.00 H new ATOM 0 HA THR A 31 11.679 -13.152 0.941 1.00 0.00 H new ATOM 0 HB THR A 31 11.674 -13.458 3.365 1.00 0.00 H new ATOM 0 HG1 THR A 31 10.056 -12.348 4.616 1.00 0.00 H new ATOM 0 HG21 THR A 31 12.061 -11.116 4.075 1.00 0.00 H new ATOM 0 HG22 THR A 31 12.768 -11.424 2.471 1.00 0.00 H new ATOM 0 HG23 THR A 31 11.233 -10.534 2.611 1.00 0.00 H new ATOM 515 N HIS A 32 8.672 -14.075 0.875 1.00 0.00 N ATOM 516 CA HIS A 32 7.743 -15.242 0.774 1.00 0.00 C ATOM 517 C HIS A 32 6.959 -15.169 -0.539 1.00 0.00 C ATOM 518 O HIS A 32 6.731 -14.109 -1.081 1.00 0.00 O ATOM 519 CB HIS A 32 6.770 -15.215 1.948 1.00 0.00 C ATOM 520 CG HIS A 32 7.543 -15.336 3.232 1.00 0.00 C ATOM 521 ND1 HIS A 32 8.134 -16.525 3.627 1.00 0.00 N ATOM 522 CD2 HIS A 32 7.837 -14.425 4.215 1.00 0.00 C ATOM 523 CE1 HIS A 32 8.749 -16.300 4.803 1.00 0.00 C ATOM 524 NE2 HIS A 32 8.599 -15.035 5.206 1.00 0.00 N ATOM 0 H HIS A 32 8.305 -13.199 0.503 1.00 0.00 H new ATOM 0 HA HIS A 32 8.321 -16.166 0.796 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.197 -14.288 1.940 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.054 -16.033 1.862 1.00 0.00 H new ATOM 0 HD2 HIS A 32 7.524 -13.391 4.219 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.297 -17.050 5.354 1.00 0.00 H new ATOM 0 HE2 HIS A 32 8.965 -14.608 6.057 1.00 0.00 H new ATOM 532 N GLU A 33 6.543 -16.294 -1.044 1.00 0.00 N ATOM 533 CA GLU A 33 5.774 -16.307 -2.322 1.00 0.00 C ATOM 534 C GLU A 33 4.516 -15.440 -2.191 1.00 0.00 C ATOM 535 O GLU A 33 4.303 -14.778 -1.193 1.00 0.00 O ATOM 536 CB GLU A 33 5.376 -17.744 -2.665 1.00 0.00 C ATOM 537 CG GLU A 33 4.495 -18.321 -1.554 1.00 0.00 C ATOM 538 CD GLU A 33 4.171 -19.782 -1.870 1.00 0.00 C ATOM 539 OE1 GLU A 33 4.036 -20.099 -3.041 1.00 0.00 O ATOM 540 OE2 GLU A 33 4.062 -20.560 -0.936 1.00 0.00 O ATOM 0 H GLU A 33 6.702 -17.211 -0.626 1.00 0.00 H new ATOM 0 HA GLU A 33 6.400 -15.903 -3.117 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.840 -17.765 -3.614 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.268 -18.358 -2.789 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.007 -18.250 -0.595 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.575 -17.743 -1.467 1.00 0.00 H new ATOM 547 N SER A 34 3.682 -15.446 -3.196 1.00 0.00 N ATOM 548 CA SER A 34 2.429 -14.634 -3.151 1.00 0.00 C ATOM 549 C SER A 34 2.765 -13.143 -3.268 1.00 0.00 C ATOM 550 O SER A 34 2.259 -12.452 -4.131 1.00 0.00 O ATOM 551 CB SER A 34 1.699 -14.894 -1.830 1.00 0.00 C ATOM 552 OG SER A 34 2.110 -13.933 -0.867 1.00 0.00 O ATOM 0 H SER A 34 3.815 -15.982 -4.053 1.00 0.00 H new ATOM 0 HA SER A 34 1.788 -14.920 -3.985 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.621 -14.837 -1.980 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.918 -15.900 -1.473 1.00 0.00 H new ATOM 0 HG SER A 34 2.955 -14.218 -0.460 1.00 0.00 H new ATOM 558 N ILE A 35 3.613 -12.636 -2.411 1.00 0.00 N ATOM 559 CA ILE A 35 3.976 -11.188 -2.481 1.00 0.00 C ATOM 560 C ILE A 35 5.148 -11.006 -3.451 1.00 0.00 C ATOM 561 O ILE A 35 6.095 -11.762 -3.439 1.00 0.00 O ATOM 562 CB ILE A 35 4.375 -10.692 -1.089 1.00 0.00 C ATOM 563 CG1 ILE A 35 3.161 -10.758 -0.157 1.00 0.00 C ATOM 564 CG2 ILE A 35 4.862 -9.246 -1.183 1.00 0.00 C ATOM 565 CD1 ILE A 35 3.613 -10.530 1.287 1.00 0.00 C ATOM 0 H ILE A 35 4.070 -13.161 -1.666 1.00 0.00 H new ATOM 0 HA ILE A 35 3.120 -10.613 -2.834 1.00 0.00 H new ATOM 0 HB ILE A 35 5.173 -11.321 -0.695 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.428 -10.004 -0.443 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.672 -11.728 -0.247 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.146 -8.893 -0.192 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.725 -9.195 -1.847 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.063 -8.618 -1.577 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.749 -10.577 1.950 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.330 -11.301 1.570 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.082 -9.550 1.371 1.00 0.00 H new ATOM 577 N SER A 36 5.084 -10.017 -4.302 1.00 0.00 N ATOM 578 CA SER A 36 6.190 -9.798 -5.283 1.00 0.00 C ATOM 579 C SER A 36 7.280 -8.920 -4.662 1.00 0.00 C ATOM 580 O SER A 36 8.433 -9.309 -4.558 1.00 0.00 O ATOM 581 CB SER A 36 5.632 -9.095 -6.522 1.00 0.00 C ATOM 582 OG SER A 36 5.532 -7.701 -6.265 1.00 0.00 O ATOM 0 H SER A 36 4.314 -9.350 -4.361 1.00 0.00 H new ATOM 0 HA SER A 36 6.618 -10.762 -5.557 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.282 -9.273 -7.379 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.653 -9.501 -6.775 1.00 0.00 H new ATOM 0 HG SER A 36 4.947 -7.552 -5.493 1.00 0.00 H new ATOM 588 N GLN A 37 6.931 -7.735 -4.242 1.00 0.00 N ATOM 589 CA GLN A 37 7.949 -6.832 -3.634 1.00 0.00 C ATOM 590 C GLN A 37 7.284 -5.928 -2.595 1.00 0.00 C ATOM 591 O GLN A 37 6.100 -5.662 -2.652 1.00 0.00 O ATOM 592 CB GLN A 37 8.579 -5.979 -4.738 1.00 0.00 C ATOM 593 CG GLN A 37 9.658 -5.072 -4.144 1.00 0.00 C ATOM 594 CD GLN A 37 10.374 -4.329 -5.275 1.00 0.00 C ATOM 595 OE1 GLN A 37 9.759 -3.583 -6.012 1.00 0.00 O ATOM 596 NE2 GLN A 37 11.655 -4.504 -5.446 1.00 0.00 N ATOM 0 H GLN A 37 5.986 -7.353 -4.293 1.00 0.00 H new ATOM 0 HA GLN A 37 8.721 -7.425 -3.143 1.00 0.00 H new ATOM 0 HB2 GLN A 37 9.013 -6.622 -5.503 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.813 -5.376 -5.226 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.209 -4.359 -3.452 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.373 -5.664 -3.573 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.171 -5.130 -4.828 1.00 0.00 H new ATOM 0 HE22 GLN A 37 12.141 -4.015 -6.198 1.00 0.00 H new ATOM 605 N VAL A 38 8.048 -5.453 -1.649 1.00 0.00 N ATOM 606 CA VAL A 38 7.491 -4.555 -0.590 1.00 0.00 C ATOM 607 C VAL A 38 8.485 -3.426 -0.349 1.00 0.00 C ATOM 608 O VAL A 38 9.644 -3.534 -0.686 1.00 0.00 O ATOM 609 CB VAL A 38 7.306 -5.350 0.705 1.00 0.00 C ATOM 610 CG1 VAL A 38 6.971 -4.399 1.859 1.00 0.00 C ATOM 611 CG2 VAL A 38 6.171 -6.358 0.525 1.00 0.00 C ATOM 0 H VAL A 38 9.045 -5.649 -1.562 1.00 0.00 H new ATOM 0 HA VAL A 38 6.529 -4.152 -0.905 1.00 0.00 H new ATOM 0 HB VAL A 38 8.231 -5.879 0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.841 -4.972 2.777 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.784 -3.685 1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.050 -3.863 1.633 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.038 -6.925 1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.248 -5.828 0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.416 -7.041 -0.289 1.00 0.00 H new ATOM 621 N GLY A 39 8.058 -2.345 0.236 1.00 0.00 N ATOM 622 CA GLY A 39 9.020 -1.238 0.492 1.00 0.00 C ATOM 623 C GLY A 39 8.307 -0.044 1.125 1.00 0.00 C ATOM 624 O GLY A 39 7.212 -0.160 1.647 1.00 0.00 O ATOM 0 H GLY A 39 7.100 -2.179 0.544 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.816 -1.585 1.151 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.491 -0.934 -0.443 1.00 0.00 H new ATOM 628 N LEU A 40 8.937 1.106 1.084 1.00 0.00 N ATOM 629 CA LEU A 40 8.338 2.337 1.689 1.00 0.00 C ATOM 630 C LEU A 40 8.173 3.402 0.601 1.00 0.00 C ATOM 631 O LEU A 40 8.927 3.444 -0.351 1.00 0.00 O ATOM 632 CB LEU A 40 9.289 2.875 2.762 1.00 0.00 C ATOM 633 CG LEU A 40 9.648 1.764 3.755 1.00 0.00 C ATOM 634 CD1 LEU A 40 10.629 2.313 4.793 1.00 0.00 C ATOM 635 CD2 LEU A 40 8.383 1.261 4.461 1.00 0.00 C ATOM 0 H LEU A 40 9.851 1.245 0.652 1.00 0.00 H new ATOM 0 HA LEU A 40 7.369 2.099 2.128 1.00 0.00 H new ATOM 0 HB2 LEU A 40 10.195 3.262 2.295 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.822 3.707 3.289 1.00 0.00 H new ATOM 0 HG LEU A 40 10.107 0.935 3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.887 1.526 5.502 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.532 2.661 4.292 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.167 3.144 5.326 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.648 0.472 5.164 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.915 2.085 5.000 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.685 0.868 3.721 1.00 0.00 H new ATOM 647 N LEU A 41 7.192 4.262 0.742 1.00 0.00 N ATOM 648 CA LEU A 41 6.962 5.338 -0.275 1.00 0.00 C ATOM 649 C LEU A 41 7.078 6.709 0.393 1.00 0.00 C ATOM 650 O LEU A 41 6.456 6.970 1.406 1.00 0.00 O ATOM 651 CB LEU A 41 5.559 5.188 -0.867 1.00 0.00 C ATOM 652 CG LEU A 41 5.450 3.862 -1.624 1.00 0.00 C ATOM 653 CD1 LEU A 41 3.997 3.653 -2.067 1.00 0.00 C ATOM 654 CD2 LEU A 41 6.378 3.868 -2.855 1.00 0.00 C ATOM 0 H LEU A 41 6.536 4.265 1.523 1.00 0.00 H new ATOM 0 HA LEU A 41 7.708 5.251 -1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.814 5.225 -0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.348 6.019 -1.540 1.00 0.00 H new ATOM 0 HG LEU A 41 5.754 3.048 -0.966 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.913 2.710 -2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.349 3.628 -1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.694 4.472 -2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.289 2.918 -3.382 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.093 4.682 -3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.410 4.008 -2.532 1.00 0.00 H new ATOM 666 N GLY A 42 7.866 7.590 -0.172 1.00 0.00 N ATOM 667 CA GLY A 42 8.027 8.956 0.415 1.00 0.00 C ATOM 668 C GLY A 42 7.138 9.947 -0.337 1.00 0.00 C ATOM 669 O GLY A 42 7.452 10.370 -1.432 1.00 0.00 O ATOM 0 H GLY A 42 8.408 7.420 -1.019 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.760 8.942 1.472 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.069 9.268 0.354 1.00 0.00 H new ATOM 673 N ASP A 43 6.035 10.329 0.253 1.00 0.00 N ATOM 674 CA ASP A 43 5.115 11.308 -0.406 1.00 0.00 C ATOM 675 C ASP A 43 5.300 12.682 0.238 1.00 0.00 C ATOM 676 O ASP A 43 5.861 12.806 1.308 1.00 0.00 O ATOM 677 CB ASP A 43 3.669 10.854 -0.225 1.00 0.00 C ATOM 678 CG ASP A 43 2.747 11.733 -1.073 1.00 0.00 C ATOM 679 OD1 ASP A 43 3.252 12.406 -1.957 1.00 0.00 O ATOM 680 OD2 ASP A 43 1.553 11.715 -0.827 1.00 0.00 O ATOM 0 H ASP A 43 5.729 10.003 1.170 1.00 0.00 H new ATOM 0 HA ASP A 43 5.345 11.365 -1.470 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.565 9.810 -0.520 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.385 10.919 0.825 1.00 0.00 H new ATOM 685 N GLU A 44 4.832 13.713 -0.404 1.00 0.00 N ATOM 686 CA GLU A 44 4.975 15.082 0.166 1.00 0.00 C ATOM 687 C GLU A 44 4.078 15.219 1.405 1.00 0.00 C ATOM 688 O GLU A 44 4.269 16.090 2.229 1.00 0.00 O ATOM 689 CB GLU A 44 4.556 16.108 -0.895 1.00 0.00 C ATOM 690 CG GLU A 44 4.878 17.528 -0.420 1.00 0.00 C ATOM 691 CD GLU A 44 6.394 17.731 -0.400 1.00 0.00 C ATOM 692 OE1 GLU A 44 7.096 16.856 -0.880 1.00 0.00 O ATOM 693 OE2 GLU A 44 6.829 18.757 0.096 1.00 0.00 O ATOM 0 H GLU A 44 4.354 13.668 -1.304 1.00 0.00 H new ATOM 0 HA GLU A 44 6.011 15.257 0.457 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.075 15.905 -1.832 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.488 16.018 -1.096 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.412 18.258 -1.082 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.466 17.691 0.576 1.00 0.00 H new ATOM 700 N THR A 45 3.095 14.366 1.543 1.00 0.00 N ATOM 701 CA THR A 45 2.180 14.460 2.722 1.00 0.00 C ATOM 702 C THR A 45 2.692 13.571 3.859 1.00 0.00 C ATOM 703 O THR A 45 2.213 13.641 4.973 1.00 0.00 O ATOM 704 CB THR A 45 0.782 13.993 2.310 1.00 0.00 C ATOM 705 OG1 THR A 45 0.804 12.591 2.075 1.00 0.00 O ATOM 706 CG2 THR A 45 0.354 14.718 1.032 1.00 0.00 C ATOM 0 H THR A 45 2.886 13.609 0.892 1.00 0.00 H new ATOM 0 HA THR A 45 2.144 15.494 3.066 1.00 0.00 H new ATOM 0 HB THR A 45 0.074 14.219 3.107 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.047 12.420 1.141 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.642 14.384 0.740 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.338 15.793 1.211 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.060 14.494 0.233 1.00 0.00 H new ATOM 714 N GLY A 46 3.656 12.734 3.591 1.00 0.00 N ATOM 715 CA GLY A 46 4.187 11.843 4.666 1.00 0.00 C ATOM 716 C GLY A 46 4.788 10.584 4.043 1.00 0.00 C ATOM 717 O GLY A 46 5.280 10.605 2.933 1.00 0.00 O ATOM 0 H GLY A 46 4.099 12.627 2.678 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.944 12.370 5.247 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.387 11.573 5.355 1.00 0.00 H new ATOM 721 N ILE A 47 4.750 9.484 4.757 1.00 0.00 N ATOM 722 CA ILE A 47 5.317 8.205 4.224 1.00 0.00 C ATOM 723 C ILE A 47 4.315 7.067 4.453 1.00 0.00 C ATOM 724 O ILE A 47 3.449 7.152 5.301 1.00 0.00 O ATOM 725 CB ILE A 47 6.632 7.897 4.953 1.00 0.00 C ATOM 726 CG1 ILE A 47 6.379 7.715 6.456 1.00 0.00 C ATOM 727 CG2 ILE A 47 7.615 9.056 4.749 1.00 0.00 C ATOM 728 CD1 ILE A 47 7.694 7.347 7.147 1.00 0.00 C ATOM 0 H ILE A 47 4.348 9.417 5.692 1.00 0.00 H new ATOM 0 HA ILE A 47 5.508 8.301 3.155 1.00 0.00 H new ATOM 0 HB ILE A 47 7.050 6.977 4.545 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.975 8.633 6.883 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.637 6.934 6.620 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.549 8.837 5.267 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.812 9.183 3.684 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.184 9.973 5.150 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.520 7.217 8.215 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.079 6.418 6.726 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.422 8.144 6.993 1.00 0.00 H new ATOM 740 N ILE A 48 4.432 5.997 3.710 1.00 0.00 N ATOM 741 CA ILE A 48 3.490 4.853 3.897 1.00 0.00 C ATOM 742 C ILE A 48 4.087 3.583 3.278 1.00 0.00 C ATOM 743 O ILE A 48 4.843 3.638 2.328 1.00 0.00 O ATOM 744 CB ILE A 48 2.143 5.173 3.242 1.00 0.00 C ATOM 745 CG1 ILE A 48 1.171 4.012 3.470 1.00 0.00 C ATOM 746 CG2 ILE A 48 2.333 5.392 1.740 1.00 0.00 C ATOM 747 CD1 ILE A 48 -0.240 4.443 3.063 1.00 0.00 C ATOM 0 H ILE A 48 5.137 5.866 2.984 1.00 0.00 H new ATOM 0 HA ILE A 48 3.333 4.689 4.963 1.00 0.00 H new ATOM 0 HB ILE A 48 1.737 6.081 3.688 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.480 3.144 2.887 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.184 3.713 4.518 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.371 5.619 1.281 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.018 6.224 1.577 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.746 4.489 1.290 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.933 3.618 3.225 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.547 5.298 3.665 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.246 4.721 2.009 1.00 0.00 H new ATOM 759 N LYS A 49 3.755 2.441 3.819 1.00 0.00 N ATOM 760 CA LYS A 49 4.298 1.157 3.284 1.00 0.00 C ATOM 761 C LYS A 49 3.474 0.738 2.068 1.00 0.00 C ATOM 762 O LYS A 49 2.370 1.217 1.869 1.00 0.00 O ATOM 763 CB LYS A 49 4.178 0.078 4.360 1.00 0.00 C ATOM 764 CG LYS A 49 4.996 0.487 5.584 1.00 0.00 C ATOM 765 CD LYS A 49 4.872 -0.584 6.667 1.00 0.00 C ATOM 766 CE LYS A 49 5.693 -0.167 7.886 1.00 0.00 C ATOM 767 NZ LYS A 49 5.577 -1.206 8.946 1.00 0.00 N ATOM 0 H LYS A 49 3.126 2.342 4.615 1.00 0.00 H new ATOM 0 HA LYS A 49 5.343 1.285 3.001 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.133 -0.060 4.637 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.534 -0.877 3.974 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.042 0.619 5.307 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.644 1.446 5.965 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.827 -0.716 6.946 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.224 -1.543 6.288 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.738 -0.035 7.605 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.340 0.793 8.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.136 -0.920 9.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.580 -1.311 9.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.934 -2.113 8.583 1.00 0.00 H new ATOM 781 N PHE A 50 3.961 -0.177 1.260 1.00 0.00 N ATOM 782 CA PHE A 50 3.153 -0.623 0.092 1.00 0.00 C ATOM 783 C PHE A 50 3.617 -2.030 -0.310 1.00 0.00 C ATOM 784 O PHE A 50 4.747 -2.411 -0.054 1.00 0.00 O ATOM 785 CB PHE A 50 3.341 0.352 -1.083 1.00 0.00 C ATOM 786 CG PHE A 50 4.657 0.098 -1.794 1.00 0.00 C ATOM 787 CD1 PHE A 50 5.862 0.464 -1.192 1.00 0.00 C ATOM 788 CD2 PHE A 50 4.660 -0.488 -3.068 1.00 0.00 C ATOM 789 CE1 PHE A 50 7.073 0.245 -1.858 1.00 0.00 C ATOM 790 CE2 PHE A 50 5.871 -0.711 -3.733 1.00 0.00 C ATOM 791 CZ PHE A 50 7.077 -0.344 -3.128 1.00 0.00 C ATOM 0 H PHE A 50 4.871 -0.625 1.361 1.00 0.00 H new ATOM 0 HA PHE A 50 2.095 -0.641 0.356 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.516 0.242 -1.787 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.313 1.378 -0.717 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.860 0.917 -0.211 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.728 -0.767 -3.536 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.005 0.530 -1.392 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.874 -1.166 -4.712 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.012 -0.515 -3.641 1.00 0.00 H new ATOM 801 N THR A 51 2.763 -2.805 -0.936 1.00 0.00 N ATOM 802 CA THR A 51 3.170 -4.190 -1.351 1.00 0.00 C ATOM 803 C THR A 51 2.618 -4.510 -2.745 1.00 0.00 C ATOM 804 O THR A 51 1.464 -4.276 -3.044 1.00 0.00 O ATOM 805 CB THR A 51 2.631 -5.208 -0.341 1.00 0.00 C ATOM 806 OG1 THR A 51 2.819 -6.522 -0.848 1.00 0.00 O ATOM 807 CG2 THR A 51 1.144 -4.960 -0.104 1.00 0.00 C ATOM 0 H THR A 51 1.807 -2.543 -1.177 1.00 0.00 H new ATOM 0 HA THR A 51 4.258 -4.244 -1.380 1.00 0.00 H new ATOM 0 HB THR A 51 3.168 -5.101 0.602 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.476 -7.174 -0.202 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.764 -5.686 0.615 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.001 -3.953 0.287 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.603 -5.064 -1.045 1.00 0.00 H new ATOM 815 N ILE A 52 3.454 -5.049 -3.594 1.00 0.00 N ATOM 816 CA ILE A 52 3.023 -5.406 -4.985 1.00 0.00 C ATOM 817 C ILE A 52 2.856 -6.921 -5.093 1.00 0.00 C ATOM 818 O ILE A 52 3.732 -7.678 -4.723 1.00 0.00 O ATOM 819 CB ILE A 52 4.083 -4.940 -5.984 1.00 0.00 C ATOM 820 CG1 ILE A 52 4.235 -3.420 -5.881 1.00 0.00 C ATOM 821 CG2 ILE A 52 3.647 -5.317 -7.402 1.00 0.00 C ATOM 822 CD1 ILE A 52 5.451 -2.959 -6.690 1.00 0.00 C ATOM 0 H ILE A 52 4.429 -5.261 -3.383 1.00 0.00 H new ATOM 0 HA ILE A 52 2.074 -4.917 -5.207 1.00 0.00 H new ATOM 0 HB ILE A 52 5.036 -5.419 -5.761 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.334 -2.930 -6.252 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.350 -3.128 -4.837 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.402 -4.985 -8.115 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.532 -6.399 -7.472 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.696 -4.836 -7.630 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.551 -1.877 -6.611 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.350 -3.436 -6.300 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.318 -3.236 -7.736 1.00 0.00 H new ATOM 834 N TRP A 53 1.729 -7.375 -5.583 1.00 0.00 N ATOM 835 CA TRP A 53 1.489 -8.843 -5.703 1.00 0.00 C ATOM 836 C TRP A 53 1.817 -9.322 -7.121 1.00 0.00 C ATOM 837 O TRP A 53 1.639 -8.609 -8.089 1.00 0.00 O ATOM 838 CB TRP A 53 0.017 -9.125 -5.402 1.00 0.00 C ATOM 839 CG TRP A 53 -0.248 -8.857 -3.958 1.00 0.00 C ATOM 840 CD1 TRP A 53 -0.335 -7.628 -3.398 1.00 0.00 C ATOM 841 CD2 TRP A 53 -0.468 -9.813 -2.882 1.00 0.00 C ATOM 842 NE1 TRP A 53 -0.586 -7.770 -2.045 1.00 0.00 N ATOM 843 CE2 TRP A 53 -0.679 -9.099 -1.679 1.00 0.00 C ATOM 844 CE3 TRP A 53 -0.504 -11.217 -2.835 1.00 0.00 C ATOM 845 CZ2 TRP A 53 -0.916 -9.755 -0.472 1.00 0.00 C ATOM 846 CZ3 TRP A 53 -0.742 -11.882 -1.621 1.00 0.00 C ATOM 847 CH2 TRP A 53 -0.949 -11.152 -0.441 1.00 0.00 C ATOM 0 H TRP A 53 0.961 -6.786 -5.907 1.00 0.00 H new ATOM 0 HA TRP A 53 2.129 -9.373 -4.997 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -0.621 -8.497 -6.024 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -0.224 -10.161 -5.642 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.226 -6.690 -3.922 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -0.690 -6.989 -1.397 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -0.348 -11.788 -3.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.073 -9.187 0.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.766 -12.961 -1.596 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.133 -11.668 0.489 1.00 0.00 H new ATOM 858 N LYS A 54 2.283 -10.535 -7.243 1.00 0.00 N ATOM 859 CA LYS A 54 2.615 -11.086 -8.590 1.00 0.00 C ATOM 860 C LYS A 54 1.327 -11.254 -9.402 1.00 0.00 C ATOM 861 O LYS A 54 1.351 -11.361 -10.612 1.00 0.00 O ATOM 862 CB LYS A 54 3.302 -12.450 -8.428 1.00 0.00 C ATOM 863 CG LYS A 54 4.022 -12.840 -9.734 1.00 0.00 C ATOM 864 CD LYS A 54 5.430 -12.231 -9.766 1.00 0.00 C ATOM 865 CE LYS A 54 6.161 -12.698 -11.026 1.00 0.00 C ATOM 866 NZ LYS A 54 7.526 -12.103 -11.061 1.00 0.00 N ATOM 0 H LYS A 54 2.449 -11.172 -6.464 1.00 0.00 H new ATOM 0 HA LYS A 54 3.285 -10.402 -9.110 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.018 -12.410 -7.607 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.564 -13.209 -8.170 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.086 -13.925 -9.812 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.448 -12.491 -10.592 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.367 -11.143 -9.752 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.987 -12.530 -8.878 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.227 -13.786 -11.038 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.602 -12.403 -11.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.022 -12.421 -11.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.452 -11.066 -11.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.058 -12.406 -10.221 1.00 0.00 H new ATOM 880 N ASN A 55 0.202 -11.290 -8.741 1.00 0.00 N ATOM 881 CA ASN A 55 -1.091 -11.468 -9.463 1.00 0.00 C ATOM 882 C ASN A 55 -1.309 -10.304 -10.433 1.00 0.00 C ATOM 883 O ASN A 55 -1.872 -10.474 -11.496 1.00 0.00 O ATOM 884 CB ASN A 55 -2.237 -11.507 -8.450 1.00 0.00 C ATOM 885 CG ASN A 55 -2.174 -12.816 -7.658 1.00 0.00 C ATOM 886 OD1 ASN A 55 -1.561 -13.773 -8.092 1.00 0.00 O ATOM 887 ND2 ASN A 55 -2.782 -12.898 -6.507 1.00 0.00 N ATOM 0 H ASN A 55 0.122 -11.203 -7.728 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.064 -12.402 -10.024 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.167 -10.656 -7.773 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.194 -11.427 -8.965 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.744 -13.765 -5.971 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.296 -12.095 -6.143 1.00 0.00 H new ATOM 894 N ALA A 56 -0.856 -9.128 -10.092 1.00 0.00 N ATOM 895 CA ALA A 56 -1.031 -7.974 -11.017 1.00 0.00 C ATOM 896 C ALA A 56 0.044 -8.032 -12.107 1.00 0.00 C ATOM 897 O ALA A 56 -0.087 -7.420 -13.148 1.00 0.00 O ATOM 898 CB ALA A 56 -0.903 -6.666 -10.233 1.00 0.00 C ATOM 0 H ALA A 56 -0.375 -8.918 -9.217 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.018 -8.020 -11.478 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.031 -5.822 -10.910 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.669 -6.629 -9.459 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.083 -6.614 -9.771 1.00 0.00 H new ATOM 904 N GLU A 57 1.110 -8.758 -11.870 1.00 0.00 N ATOM 905 CA GLU A 57 2.205 -8.866 -12.883 1.00 0.00 C ATOM 906 C GLU A 57 2.732 -7.472 -13.239 1.00 0.00 C ATOM 907 O GLU A 57 2.664 -7.044 -14.374 1.00 0.00 O ATOM 908 CB GLU A 57 1.684 -9.563 -14.147 1.00 0.00 C ATOM 909 CG GLU A 57 1.350 -11.022 -13.828 1.00 0.00 C ATOM 910 CD GLU A 57 0.735 -11.685 -15.062 1.00 0.00 C ATOM 911 OE1 GLU A 57 0.606 -11.008 -16.071 1.00 0.00 O ATOM 912 OE2 GLU A 57 0.402 -12.855 -14.979 1.00 0.00 O ATOM 0 H GLU A 57 1.269 -9.284 -11.011 1.00 0.00 H new ATOM 0 HA GLU A 57 3.018 -9.456 -12.460 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.797 -9.049 -14.519 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.434 -9.515 -14.936 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.252 -11.555 -13.527 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.655 -11.072 -12.990 1.00 0.00 H new ATOM 919 N LEU A 58 3.260 -6.765 -12.268 1.00 0.00 N ATOM 920 CA LEU A 58 3.805 -5.390 -12.522 1.00 0.00 C ATOM 921 C LEU A 58 5.342 -5.420 -12.411 1.00 0.00 C ATOM 922 O LEU A 58 5.891 -6.191 -11.649 1.00 0.00 O ATOM 923 CB LEU A 58 3.239 -4.431 -11.470 1.00 0.00 C ATOM 924 CG LEU A 58 1.720 -4.612 -11.371 1.00 0.00 C ATOM 925 CD1 LEU A 58 1.155 -3.618 -10.354 1.00 0.00 C ATOM 926 CD2 LEU A 58 1.077 -4.366 -12.742 1.00 0.00 C ATOM 0 H LEU A 58 3.338 -7.083 -11.302 1.00 0.00 H new ATOM 0 HA LEU A 58 3.520 -5.057 -13.520 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.702 -4.623 -10.502 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.476 -3.401 -11.738 1.00 0.00 H new ATOM 0 HG LEU A 58 1.498 -5.629 -11.049 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.075 -3.745 -10.282 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.607 -3.799 -9.379 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.380 -2.601 -10.675 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.003 -4.496 -12.666 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.298 -3.351 -13.071 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.478 -5.077 -13.465 1.00 0.00 H new ATOM 938 N PRO A 59 6.040 -4.586 -13.157 1.00 0.00 N ATOM 939 CA PRO A 59 7.536 -4.532 -13.120 1.00 0.00 C ATOM 940 C PRO A 59 8.064 -3.982 -11.786 1.00 0.00 C ATOM 941 O PRO A 59 7.345 -3.355 -11.034 1.00 0.00 O ATOM 942 CB PRO A 59 7.900 -3.602 -14.291 1.00 0.00 C ATOM 943 CG PRO A 59 6.697 -2.738 -14.483 1.00 0.00 C ATOM 944 CD PRO A 59 5.491 -3.607 -14.118 1.00 0.00 C ATOM 0 HA PRO A 59 7.984 -5.522 -13.208 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.783 -3.005 -14.062 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.126 -4.172 -15.193 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.747 -1.853 -13.848 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.628 -2.388 -15.513 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.691 -3.015 -13.673 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.072 -4.099 -14.996 1.00 0.00 H new ATOM 952 N LEU A 60 9.312 -4.230 -11.487 1.00 0.00 N ATOM 953 CA LEU A 60 9.891 -3.744 -10.200 1.00 0.00 C ATOM 954 C LEU A 60 10.066 -2.221 -10.235 1.00 0.00 C ATOM 955 O LEU A 60 10.397 -1.642 -11.251 1.00 0.00 O ATOM 956 CB LEU A 60 11.255 -4.405 -9.986 1.00 0.00 C ATOM 957 CG LEU A 60 11.108 -5.931 -10.037 1.00 0.00 C ATOM 958 CD1 LEU A 60 12.490 -6.578 -9.905 1.00 0.00 C ATOM 959 CD2 LEU A 60 10.199 -6.411 -8.891 1.00 0.00 C ATOM 0 H LEU A 60 9.958 -4.750 -12.081 1.00 0.00 H new ATOM 0 HA LEU A 60 9.215 -4.002 -9.384 1.00 0.00 H new ATOM 0 HB2 LEU A 60 11.955 -4.072 -10.753 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.669 -4.103 -9.024 1.00 0.00 H new ATOM 0 HG LEU A 60 10.659 -6.218 -10.988 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.389 -7.663 -9.941 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.127 -6.246 -10.725 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.939 -6.287 -8.955 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.100 -7.496 -8.935 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.637 -6.125 -7.935 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.215 -5.953 -8.991 1.00 0.00 H new ATOM 971 N LEU A 61 9.845 -1.575 -9.120 1.00 0.00 N ATOM 972 CA LEU A 61 9.991 -0.089 -9.056 1.00 0.00 C ATOM 973 C LEU A 61 11.461 0.272 -8.789 1.00 0.00 C ATOM 974 O LEU A 61 12.177 -0.455 -8.129 1.00 0.00 O ATOM 975 CB LEU A 61 9.110 0.456 -7.925 1.00 0.00 C ATOM 976 CG LEU A 61 7.652 0.533 -8.394 1.00 0.00 C ATOM 977 CD1 LEU A 61 7.161 -0.863 -8.786 1.00 0.00 C ATOM 978 CD2 LEU A 61 6.780 1.080 -7.259 1.00 0.00 C ATOM 0 H LEU A 61 9.567 -2.016 -8.243 1.00 0.00 H new ATOM 0 HA LEU A 61 9.681 0.352 -10.003 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.186 -0.188 -7.049 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.458 1.444 -7.625 1.00 0.00 H new ATOM 0 HG LEU A 61 7.585 1.194 -9.258 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.125 -0.804 -9.119 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.780 -1.253 -9.594 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.228 -1.528 -7.925 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.743 1.135 -7.591 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.850 0.419 -6.395 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.126 2.076 -6.982 1.00 0.00 H new ATOM 990 N GLU A 62 11.915 1.392 -9.298 1.00 0.00 N ATOM 991 CA GLU A 62 13.339 1.805 -9.078 1.00 0.00 C ATOM 992 C GLU A 62 13.421 2.756 -7.877 1.00 0.00 C ATOM 993 O GLU A 62 12.631 3.667 -7.735 1.00 0.00 O ATOM 994 CB GLU A 62 13.856 2.517 -10.333 1.00 0.00 C ATOM 995 CG GLU A 62 15.329 2.890 -10.147 1.00 0.00 C ATOM 996 CD GLU A 62 15.869 3.501 -11.442 1.00 0.00 C ATOM 997 OE1 GLU A 62 15.069 3.783 -12.320 1.00 0.00 O ATOM 998 OE2 GLU A 62 17.073 3.671 -11.537 1.00 0.00 O ATOM 0 H GLU A 62 11.360 2.040 -9.858 1.00 0.00 H new ATOM 0 HA GLU A 62 13.948 0.924 -8.879 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.742 1.870 -11.203 1.00 0.00 H new ATOM 0 HB3 GLU A 62 13.266 3.413 -10.523 1.00 0.00 H new ATOM 0 HG2 GLU A 62 15.435 3.599 -9.326 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.908 2.006 -9.881 1.00 0.00 H new ATOM 1005 N GLN A 63 14.368 2.539 -7.005 1.00 0.00 N ATOM 1006 CA GLN A 63 14.500 3.416 -5.803 1.00 0.00 C ATOM 1007 C GLN A 63 14.967 4.816 -6.208 1.00 0.00 C ATOM 1008 O GLN A 63 15.858 4.973 -7.021 1.00 0.00 O ATOM 1009 CB GLN A 63 15.515 2.809 -4.832 1.00 0.00 C ATOM 1010 CG GLN A 63 15.597 3.679 -3.575 1.00 0.00 C ATOM 1011 CD GLN A 63 16.468 2.983 -2.527 1.00 0.00 C ATOM 1012 OE1 GLN A 63 16.742 1.805 -2.634 1.00 0.00 O ATOM 1013 NE2 GLN A 63 16.915 3.667 -1.510 1.00 0.00 N ATOM 0 H GLN A 63 15.058 1.791 -7.072 1.00 0.00 H new ATOM 0 HA GLN A 63 13.525 3.492 -5.321 1.00 0.00 H new ATOM 0 HB2 GLN A 63 15.219 1.794 -4.567 1.00 0.00 H new ATOM 0 HB3 GLN A 63 16.494 2.742 -5.306 1.00 0.00 H new ATOM 0 HG2 GLN A 63 16.016 4.654 -3.822 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.598 3.853 -3.175 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.685 4.657 -1.420 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.495 3.212 -0.805 1.00 0.00 H new ATOM 1022 N GLY A 64 14.382 5.837 -5.634 1.00 0.00 N ATOM 1023 CA GLY A 64 14.798 7.236 -5.964 1.00 0.00 C ATOM 1024 C GLY A 64 13.933 7.791 -7.097 1.00 0.00 C ATOM 1025 O GLY A 64 13.955 8.974 -7.376 1.00 0.00 O ATOM 0 H GLY A 64 13.631 5.762 -4.948 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.704 7.869 -5.082 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.848 7.251 -6.257 1.00 0.00 H new ATOM 1029 N GLU A 65 13.186 6.950 -7.765 1.00 0.00 N ATOM 1030 CA GLU A 65 12.334 7.428 -8.899 1.00 0.00 C ATOM 1031 C GLU A 65 10.882 7.620 -8.448 1.00 0.00 C ATOM 1032 O GLU A 65 10.431 7.046 -7.471 1.00 0.00 O ATOM 1033 CB GLU A 65 12.383 6.397 -10.030 1.00 0.00 C ATOM 1034 CG GLU A 65 13.802 6.326 -10.603 1.00 0.00 C ATOM 1035 CD GLU A 65 14.157 7.654 -11.278 1.00 0.00 C ATOM 1036 OE1 GLU A 65 13.242 8.382 -11.626 1.00 0.00 O ATOM 1037 OE2 GLU A 65 15.336 7.919 -11.435 1.00 0.00 O ATOM 0 H GLU A 65 13.128 5.950 -7.575 1.00 0.00 H new ATOM 0 HA GLU A 65 12.717 8.388 -9.246 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.082 5.418 -9.656 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.677 6.670 -10.814 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.515 6.110 -9.807 1.00 0.00 H new ATOM 0 HG3 GLU A 65 13.873 5.511 -11.324 1.00 0.00 H new ATOM 1044 N SER A 66 10.150 8.424 -9.179 1.00 0.00 N ATOM 1045 CA SER A 66 8.715 8.675 -8.847 1.00 0.00 C ATOM 1046 C SER A 66 7.837 7.728 -9.664 1.00 0.00 C ATOM 1047 O SER A 66 8.132 7.430 -10.804 1.00 0.00 O ATOM 1048 CB SER A 66 8.356 10.125 -9.184 1.00 0.00 C ATOM 1049 OG SER A 66 8.869 10.449 -10.468 1.00 0.00 O ATOM 0 H SER A 66 10.491 8.922 -10.001 1.00 0.00 H new ATOM 0 HA SER A 66 8.550 8.502 -7.784 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.274 10.257 -9.168 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.770 10.798 -8.434 1.00 0.00 H new ATOM 0 HG SER A 66 8.936 11.423 -10.557 1.00 0.00 H new ATOM 1055 N TYR A 67 6.758 7.255 -9.089 1.00 0.00 N ATOM 1056 CA TYR A 67 5.848 6.323 -9.829 1.00 0.00 C ATOM 1057 C TYR A 67 4.389 6.730 -9.616 1.00 0.00 C ATOM 1058 O TYR A 67 4.025 7.307 -8.610 1.00 0.00 O ATOM 1059 CB TYR A 67 6.048 4.890 -9.321 1.00 0.00 C ATOM 1060 CG TYR A 67 7.365 4.351 -9.827 1.00 0.00 C ATOM 1061 CD1 TYR A 67 7.459 3.849 -11.131 1.00 0.00 C ATOM 1062 CD2 TYR A 67 8.488 4.351 -8.995 1.00 0.00 C ATOM 1063 CE1 TYR A 67 8.679 3.348 -11.602 1.00 0.00 C ATOM 1064 CE2 TYR A 67 9.707 3.851 -9.466 1.00 0.00 C ATOM 1065 CZ TYR A 67 9.803 3.349 -10.768 1.00 0.00 C ATOM 1066 OH TYR A 67 11.008 2.857 -11.231 1.00 0.00 O ATOM 0 H TYR A 67 6.467 7.474 -8.136 1.00 0.00 H new ATOM 0 HA TYR A 67 6.086 6.374 -10.891 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.032 4.874 -8.231 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.229 4.256 -9.661 1.00 0.00 H new ATOM 0 HD1 TYR A 67 6.591 3.848 -11.773 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.415 4.737 -7.989 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.752 2.961 -12.608 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.575 3.853 -8.823 1.00 0.00 H new ATOM 0 HH TYR A 67 11.448 3.536 -11.784 1.00 0.00 H new ATOM 1076 N LEU A 68 3.555 6.413 -10.570 1.00 0.00 N ATOM 1077 CA LEU A 68 2.103 6.748 -10.459 1.00 0.00 C ATOM 1078 C LEU A 68 1.386 5.474 -10.027 1.00 0.00 C ATOM 1079 O LEU A 68 1.589 4.427 -10.599 1.00 0.00 O ATOM 1080 CB LEU A 68 1.563 7.216 -11.829 1.00 0.00 C ATOM 1081 CG LEU A 68 0.386 8.212 -11.679 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -0.616 7.747 -10.610 1.00 0.00 C ATOM 1083 CD2 LEU A 68 0.921 9.621 -11.330 1.00 0.00 C ATOM 0 H LEU A 68 3.819 5.932 -11.430 1.00 0.00 H new ATOM 0 HA LEU A 68 1.942 7.551 -9.740 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.367 7.687 -12.394 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.234 6.350 -12.404 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.139 8.252 -12.633 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.428 8.470 -10.533 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.022 6.775 -10.890 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.110 7.665 -9.648 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.085 10.313 -11.227 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.474 9.578 -10.392 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.582 9.967 -12.125 1.00 0.00 H new ATOM 1095 N LEU A 69 0.558 5.554 -9.026 1.00 0.00 N ATOM 1096 CA LEU A 69 -0.182 4.351 -8.541 1.00 0.00 C ATOM 1097 C LEU A 69 -1.662 4.493 -8.917 1.00 0.00 C ATOM 1098 O LEU A 69 -2.383 5.266 -8.312 1.00 0.00 O ATOM 1099 CB LEU A 69 -0.044 4.312 -7.019 1.00 0.00 C ATOM 1100 CG LEU A 69 1.409 3.984 -6.615 1.00 0.00 C ATOM 1101 CD1 LEU A 69 1.699 4.550 -5.209 1.00 0.00 C ATOM 1102 CD2 LEU A 69 1.620 2.460 -6.610 1.00 0.00 C ATOM 0 H LEU A 69 0.358 6.413 -8.514 1.00 0.00 H new ATOM 0 HA LEU A 69 0.215 3.438 -8.986 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.337 5.273 -6.597 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.720 3.563 -6.606 1.00 0.00 H new ATOM 0 HG LEU A 69 2.089 4.438 -7.335 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.726 4.316 -4.927 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.562 5.631 -5.217 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.014 4.103 -4.488 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.648 2.236 -6.324 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.936 2.000 -5.896 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.426 2.063 -7.606 1.00 0.00 H new ATOM 1114 N ARG A 70 -2.124 3.765 -9.915 1.00 0.00 N ATOM 1115 CA ARG A 70 -3.564 3.878 -10.332 1.00 0.00 C ATOM 1116 C ARG A 70 -4.348 2.630 -9.916 1.00 0.00 C ATOM 1117 O ARG A 70 -3.929 1.507 -10.153 1.00 0.00 O ATOM 1118 CB ARG A 70 -3.649 4.029 -11.853 1.00 0.00 C ATOM 1119 CG ARG A 70 -2.932 5.309 -12.285 1.00 0.00 C ATOM 1120 CD ARG A 70 -3.152 5.541 -13.782 1.00 0.00 C ATOM 1121 NE ARG A 70 -2.488 4.456 -14.558 1.00 0.00 N ATOM 1122 CZ ARG A 70 -1.188 4.433 -14.662 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -0.472 5.352 -14.076 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -0.604 3.491 -15.352 1.00 0.00 N ATOM 0 H ARG A 70 -1.568 3.102 -10.455 1.00 0.00 H new ATOM 0 HA ARG A 70 -3.995 4.751 -9.842 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.196 3.165 -12.340 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.692 4.061 -12.167 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.309 6.159 -11.716 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.866 5.230 -12.072 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.219 5.561 -14.004 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -2.748 6.510 -14.074 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.049 3.732 -15.007 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -0.929 6.088 -13.537 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.545 5.335 -14.157 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.164 2.772 -15.810 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.413 3.474 -15.433 1.00 0.00 H new ATOM 1138 N SER A 71 -5.503 2.834 -9.325 1.00 0.00 N ATOM 1139 CA SER A 71 -6.372 1.698 -8.900 1.00 0.00 C ATOM 1140 C SER A 71 -5.757 0.961 -7.706 1.00 0.00 C ATOM 1141 O SER A 71 -5.498 -0.225 -7.774 1.00 0.00 O ATOM 1142 CB SER A 71 -6.560 0.728 -10.070 1.00 0.00 C ATOM 1143 OG SER A 71 -6.592 1.461 -11.287 1.00 0.00 O ATOM 0 H SER A 71 -5.883 3.758 -9.118 1.00 0.00 H new ATOM 0 HA SER A 71 -7.341 2.095 -8.597 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.747 0.003 -10.090 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.486 0.166 -9.946 1.00 0.00 H new ATOM 0 HG SER A 71 -6.711 0.843 -12.038 1.00 0.00 H new ATOM 1149 N VAL A 72 -5.539 1.647 -6.605 1.00 0.00 N ATOM 1150 CA VAL A 72 -4.956 0.979 -5.394 1.00 0.00 C ATOM 1151 C VAL A 72 -6.002 0.943 -4.279 1.00 0.00 C ATOM 1152 O VAL A 72 -6.964 1.687 -4.289 1.00 0.00 O ATOM 1153 CB VAL A 72 -3.727 1.755 -4.906 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -2.562 1.568 -5.886 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -4.074 3.243 -4.806 1.00 0.00 C ATOM 0 H VAL A 72 -5.740 2.641 -6.493 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.660 -0.036 -5.657 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.432 1.378 -3.927 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.694 2.123 -5.530 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.312 0.509 -5.956 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.851 1.938 -6.870 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.202 3.797 -4.459 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.373 3.614 -5.786 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.894 3.379 -4.101 1.00 0.00 H new ATOM 1165 N VAL A 73 -5.818 0.065 -3.323 1.00 0.00 N ATOM 1166 CA VAL A 73 -6.793 -0.061 -2.193 1.00 0.00 C ATOM 1167 C VAL A 73 -6.049 0.081 -0.863 1.00 0.00 C ATOM 1168 O VAL A 73 -4.877 -0.224 -0.755 1.00 0.00 O ATOM 1169 CB VAL A 73 -7.476 -1.432 -2.264 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -6.415 -2.527 -2.392 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -8.304 -1.667 -0.996 1.00 0.00 C ATOM 0 H VAL A 73 -5.026 -0.576 -3.277 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.548 0.722 -2.267 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.134 -1.460 -3.133 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.902 -3.501 -2.442 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.833 -2.365 -3.299 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.754 -2.496 -1.526 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.787 -2.643 -1.052 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.651 -1.635 -0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -9.064 -0.891 -0.909 1.00 0.00 H new ATOM 1181 N VAL A 74 -6.729 0.552 0.148 1.00 0.00 N ATOM 1182 CA VAL A 74 -6.085 0.737 1.484 1.00 0.00 C ATOM 1183 C VAL A 74 -6.349 -0.502 2.344 1.00 0.00 C ATOM 1184 O VAL A 74 -7.468 -0.962 2.445 1.00 0.00 O ATOM 1185 CB VAL A 74 -6.692 1.969 2.163 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -6.130 2.111 3.579 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -6.349 3.220 1.351 1.00 0.00 C ATOM 0 H VAL A 74 -7.712 0.819 0.106 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.010 0.876 1.365 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.774 1.853 2.216 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.565 2.989 4.057 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.377 1.222 4.159 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.047 2.224 3.531 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.781 4.097 1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.266 3.332 1.296 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.755 3.123 0.344 1.00 0.00 H new ATOM 1197 N GLY A 75 -5.329 -1.041 2.977 1.00 0.00 N ATOM 1198 CA GLY A 75 -5.511 -2.249 3.848 1.00 0.00 C ATOM 1199 C GLY A 75 -5.270 -1.859 5.308 1.00 0.00 C ATOM 1200 O GLY A 75 -4.519 -0.947 5.597 1.00 0.00 O ATOM 0 H GLY A 75 -4.372 -0.692 2.926 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.517 -2.650 3.728 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.817 -3.035 3.550 1.00 0.00 H new ATOM 1204 N GLU A 76 -5.894 -2.543 6.236 1.00 0.00 N ATOM 1205 CA GLU A 76 -5.700 -2.214 7.682 1.00 0.00 C ATOM 1206 C GLU A 76 -4.677 -3.180 8.291 1.00 0.00 C ATOM 1207 O GLU A 76 -5.018 -4.259 8.733 1.00 0.00 O ATOM 1208 CB GLU A 76 -7.042 -2.368 8.411 1.00 0.00 C ATOM 1209 CG GLU A 76 -6.947 -1.788 9.826 1.00 0.00 C ATOM 1210 CD GLU A 76 -6.136 -2.732 10.719 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -6.361 -3.927 10.643 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -5.304 -2.241 11.463 1.00 0.00 O ATOM 0 H GLU A 76 -6.532 -3.318 6.053 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.338 -1.191 7.784 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.827 -1.858 7.853 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.318 -3.421 8.460 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.475 -0.806 9.796 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.946 -1.649 10.240 1.00 0.00 H new ATOM 1219 N TYR A 77 -3.421 -2.800 8.306 1.00 0.00 N ATOM 1220 CA TYR A 77 -2.353 -3.687 8.875 1.00 0.00 C ATOM 1221 C TYR A 77 -1.800 -3.082 10.171 1.00 0.00 C ATOM 1222 O TYR A 77 -1.220 -2.015 10.173 1.00 0.00 O ATOM 1223 CB TYR A 77 -1.219 -3.812 7.849 1.00 0.00 C ATOM 1224 CG TYR A 77 -0.047 -4.548 8.459 1.00 0.00 C ATOM 1225 CD1 TYR A 77 -0.061 -5.945 8.548 1.00 0.00 C ATOM 1226 CD2 TYR A 77 1.058 -3.827 8.933 1.00 0.00 C ATOM 1227 CE1 TYR A 77 1.029 -6.622 9.110 1.00 0.00 C ATOM 1228 CE2 TYR A 77 2.147 -4.504 9.495 1.00 0.00 C ATOM 1229 CZ TYR A 77 2.132 -5.902 9.584 1.00 0.00 C ATOM 1230 OH TYR A 77 3.206 -6.569 10.137 1.00 0.00 O ATOM 0 H TYR A 77 -3.086 -1.906 7.946 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.774 -4.668 9.095 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -1.573 -4.344 6.966 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.905 -2.822 7.519 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.912 -6.501 8.183 1.00 0.00 H new ATOM 0 HD2 TYR A 77 1.069 -2.749 8.865 1.00 0.00 H new ATOM 0 HE1 TYR A 77 1.018 -7.700 9.178 1.00 0.00 H new ATOM 0 HE2 TYR A 77 2.998 -3.949 9.860 1.00 0.00 H new ATOM 0 HH TYR A 77 3.886 -5.920 10.414 1.00 0.00 H new ATOM 1240 N ASN A 78 -1.963 -3.771 11.271 1.00 0.00 N ATOM 1241 CA ASN A 78 -1.436 -3.255 12.570 1.00 0.00 C ATOM 1242 C ASN A 78 -1.991 -1.856 12.850 1.00 0.00 C ATOM 1243 O ASN A 78 -1.247 -0.924 13.082 1.00 0.00 O ATOM 1244 CB ASN A 78 0.090 -3.196 12.521 1.00 0.00 C ATOM 1245 CG ASN A 78 0.632 -2.898 13.921 1.00 0.00 C ATOM 1246 OD1 ASN A 78 0.788 -1.753 14.293 1.00 0.00 O ATOM 1247 ND2 ASN A 78 0.922 -3.889 14.719 1.00 0.00 N ATOM 0 H ASN A 78 -2.440 -4.671 11.326 1.00 0.00 H new ATOM 0 HA ASN A 78 -1.750 -3.928 13.367 1.00 0.00 H new ATOM 0 HB2 ASN A 78 0.490 -4.143 12.158 1.00 0.00 H new ATOM 0 HB3 ASN A 78 0.413 -2.424 11.822 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.280 -3.702 15.656 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.791 -4.851 14.406 1.00 0.00 H new ATOM 1254 N ASP A 79 -3.288 -1.709 12.829 1.00 0.00 N ATOM 1255 CA ASP A 79 -3.917 -0.379 13.099 1.00 0.00 C ATOM 1256 C ASP A 79 -3.377 0.683 12.134 1.00 0.00 C ATOM 1257 O ASP A 79 -3.802 1.821 12.165 1.00 0.00 O ATOM 1258 CB ASP A 79 -3.623 0.053 14.542 1.00 0.00 C ATOM 1259 CG ASP A 79 -4.406 -0.831 15.513 1.00 0.00 C ATOM 1260 OD1 ASP A 79 -5.243 -1.589 15.051 1.00 0.00 O ATOM 1261 OD2 ASP A 79 -4.155 -0.736 16.703 1.00 0.00 O ATOM 0 H ASP A 79 -3.948 -2.461 12.634 1.00 0.00 H new ATOM 0 HA ASP A 79 -4.993 -0.474 12.954 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.555 -0.025 14.745 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.899 1.098 14.683 1.00 0.00 H new ATOM 1266 N ARG A 80 -2.447 0.332 11.280 1.00 0.00 N ATOM 1267 CA ARG A 80 -1.882 1.331 10.318 1.00 0.00 C ATOM 1268 C ARG A 80 -2.494 1.118 8.934 1.00 0.00 C ATOM 1269 O ARG A 80 -2.993 0.057 8.619 1.00 0.00 O ATOM 1270 CB ARG A 80 -0.364 1.154 10.237 1.00 0.00 C ATOM 1271 CG ARG A 80 0.281 1.606 11.556 1.00 0.00 C ATOM 1272 CD ARG A 80 0.109 3.126 11.751 1.00 0.00 C ATOM 1273 NE ARG A 80 -1.107 3.386 12.579 1.00 0.00 N ATOM 1274 CZ ARG A 80 -1.037 3.366 13.885 1.00 0.00 C ATOM 1275 NH1 ARG A 80 0.097 3.106 14.479 1.00 0.00 N ATOM 1276 NH2 ARG A 80 -2.104 3.607 14.597 1.00 0.00 N ATOM 0 H ARG A 80 -2.053 -0.606 11.207 1.00 0.00 H new ATOM 0 HA ARG A 80 -2.116 2.338 10.663 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -0.120 0.110 10.041 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.036 1.736 9.407 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.174 1.073 12.391 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.341 1.352 11.555 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.990 3.543 12.238 1.00 0.00 H new ATOM 0 HD3 ARG A 80 0.016 3.620 10.784 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.998 3.581 12.123 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.932 2.918 13.924 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.148 3.091 15.498 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -2.990 3.810 14.135 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.052 3.592 15.616 1.00 0.00 H new ATOM 1290 N PHE A 81 -2.456 2.127 8.104 1.00 0.00 N ATOM 1291 CA PHE A 81 -3.033 2.002 6.731 1.00 0.00 C ATOM 1292 C PHE A 81 -1.901 1.730 5.744 1.00 0.00 C ATOM 1293 O PHE A 81 -0.795 2.205 5.910 1.00 0.00 O ATOM 1294 CB PHE A 81 -3.729 3.311 6.350 1.00 0.00 C ATOM 1295 CG PHE A 81 -4.893 3.553 7.284 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -6.047 2.768 7.180 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -4.819 4.564 8.252 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -7.126 2.993 8.044 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -5.897 4.788 9.113 1.00 0.00 C ATOM 1300 CZ PHE A 81 -7.051 4.003 9.011 1.00 0.00 C ATOM 0 H PHE A 81 -2.048 3.037 8.318 1.00 0.00 H new ATOM 0 HA PHE A 81 -3.755 1.186 6.706 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -3.024 4.140 6.408 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -4.080 3.262 5.319 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.105 1.989 6.434 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -3.929 5.170 8.333 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -8.017 2.387 7.964 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -5.839 5.568 9.858 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.883 4.176 9.678 1.00 0.00 H new ATOM 1310 N GLN A 82 -2.164 0.970 4.714 1.00 0.00 N ATOM 1311 CA GLN A 82 -1.096 0.665 3.715 1.00 0.00 C ATOM 1312 C GLN A 82 -1.713 0.577 2.319 1.00 0.00 C ATOM 1313 O GLN A 82 -2.883 0.286 2.168 1.00 0.00 O ATOM 1314 CB GLN A 82 -0.439 -0.672 4.065 1.00 0.00 C ATOM 1315 CG GLN A 82 0.271 -0.553 5.415 1.00 0.00 C ATOM 1316 CD GLN A 82 1.037 -1.844 5.704 1.00 0.00 C ATOM 1317 OE1 GLN A 82 1.680 -1.967 6.727 1.00 0.00 O ATOM 1318 NE2 GLN A 82 0.996 -2.820 4.838 1.00 0.00 N ATOM 0 H GLN A 82 -3.072 0.547 4.521 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.346 1.456 3.732 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.191 -1.460 4.106 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.274 -0.953 3.290 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.957 0.294 5.404 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.456 -0.364 6.205 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.456 -2.717 3.979 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.504 -3.686 5.021 1.00 0.00 H new ATOM 1327 N VAL A 83 -0.933 0.824 1.294 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.470 0.753 -0.105 1.00 0.00 C ATOM 1329 C VAL A 83 -0.987 -0.544 -0.762 1.00 0.00 C ATOM 1330 O VAL A 83 0.195 -0.760 -0.943 1.00 0.00 O ATOM 1331 CB VAL A 83 -0.963 1.968 -0.902 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -1.848 3.184 -0.611 1.00 0.00 C ATOM 1333 CG2 VAL A 83 0.480 2.282 -0.492 1.00 0.00 C ATOM 0 H VAL A 83 0.054 1.072 1.364 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.560 0.764 -0.090 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.001 1.740 -1.967 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.485 4.042 -1.177 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.875 2.965 -0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.814 3.412 0.454 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.840 3.142 -1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.515 2.507 0.574 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.114 1.420 -0.702 1.00 0.00 H new ATOM 1343 N GLN A 84 -1.900 -1.413 -1.117 1.00 0.00 N ATOM 1344 CA GLN A 84 -1.511 -2.709 -1.756 1.00 0.00 C ATOM 1345 C GLN A 84 -1.864 -2.672 -3.244 1.00 0.00 C ATOM 1346 O GLN A 84 -2.988 -2.397 -3.617 1.00 0.00 O ATOM 1347 CB GLN A 84 -2.284 -3.849 -1.085 1.00 0.00 C ATOM 1348 CG GLN A 84 -2.242 -3.672 0.433 1.00 0.00 C ATOM 1349 CD GLN A 84 -2.864 -4.895 1.110 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -2.440 -6.010 0.883 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -3.863 -4.730 1.930 1.00 0.00 N ATOM 0 H GLN A 84 -2.903 -1.280 -0.991 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.439 -2.867 -1.640 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -3.317 -3.855 -1.432 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.849 -4.809 -1.362 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.212 -3.544 0.766 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.784 -2.771 0.719 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -4.218 -3.793 2.119 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -4.290 -5.538 2.382 1.00 0.00 H new ATOM 1360 N VAL A 85 -0.921 -2.966 -4.099 1.00 0.00 N ATOM 1361 CA VAL A 85 -1.208 -2.969 -5.563 1.00 0.00 C ATOM 1362 C VAL A 85 -1.582 -4.393 -5.975 1.00 0.00 C ATOM 1363 O VAL A 85 -0.840 -5.330 -5.747 1.00 0.00 O ATOM 1364 CB VAL A 85 0.037 -2.515 -6.324 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.307 -2.336 -7.800 1.00 0.00 C ATOM 1366 CG2 VAL A 85 0.525 -1.184 -5.749 1.00 0.00 C ATOM 0 H VAL A 85 0.038 -3.205 -3.846 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.028 -2.289 -5.793 1.00 0.00 H new ATOM 0 HB VAL A 85 0.821 -3.265 -6.223 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.580 -2.012 -8.344 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.658 -3.283 -8.209 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.090 -1.584 -7.903 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.413 -0.858 -6.290 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.259 -0.434 -5.852 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.769 -1.311 -4.694 1.00 0.00 H new ATOM 1376 N ASN A 86 -2.727 -4.570 -6.580 1.00 0.00 N ATOM 1377 CA ASN A 86 -3.148 -5.936 -7.005 1.00 0.00 C ATOM 1378 C ASN A 86 -4.084 -5.835 -8.213 1.00 0.00 C ATOM 1379 O ASN A 86 -4.312 -4.772 -8.752 1.00 0.00 O ATOM 1380 CB ASN A 86 -3.868 -6.631 -5.848 1.00 0.00 C ATOM 1381 CG ASN A 86 -4.878 -5.670 -5.218 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -6.041 -5.994 -5.085 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -4.481 -4.492 -4.825 1.00 0.00 N ATOM 0 H ASN A 86 -3.389 -3.826 -6.798 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.268 -6.517 -7.283 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.378 -7.525 -6.208 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.145 -6.956 -5.100 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -5.147 -3.843 -4.406 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -3.504 -4.220 -4.936 1.00 0.00 H new ATOM 1390 N LYS A 87 -4.637 -6.943 -8.621 1.00 0.00 N ATOM 1391 CA LYS A 87 -5.581 -6.944 -9.779 1.00 0.00 C ATOM 1392 C LYS A 87 -4.903 -6.355 -11.020 1.00 0.00 C ATOM 1393 O LYS A 87 -3.701 -6.418 -11.177 1.00 0.00 O ATOM 1394 CB LYS A 87 -6.815 -6.097 -9.441 1.00 0.00 C ATOM 1395 CG LYS A 87 -7.379 -6.495 -8.072 1.00 0.00 C ATOM 1396 CD LYS A 87 -7.913 -7.931 -8.121 1.00 0.00 C ATOM 1397 CE LYS A 87 -8.823 -8.183 -6.915 1.00 0.00 C ATOM 1398 NZ LYS A 87 -8.023 -8.117 -5.659 1.00 0.00 N ATOM 0 H LYS A 87 -4.475 -7.857 -8.199 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.878 -7.973 -9.982 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.549 -5.040 -9.438 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.577 -6.231 -10.208 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.602 -6.413 -7.312 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.178 -5.811 -7.786 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.466 -8.093 -9.046 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.084 -8.638 -8.117 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.621 -7.441 -6.888 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.298 -9.160 -7.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.657 -8.204 -4.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.332 -8.894 -5.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.522 -7.207 -5.614 1.00 0.00 H new ATOM 1412 N ASN A 88 -5.681 -5.787 -11.906 1.00 0.00 N ATOM 1413 CA ASN A 88 -5.109 -5.198 -13.152 1.00 0.00 C ATOM 1414 C ASN A 88 -4.602 -3.782 -12.882 1.00 0.00 C ATOM 1415 O ASN A 88 -4.560 -2.950 -13.767 1.00 0.00 O ATOM 1416 CB ASN A 88 -6.187 -5.150 -14.233 1.00 0.00 C ATOM 1417 CG ASN A 88 -6.542 -6.576 -14.659 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -5.687 -7.438 -14.712 1.00 0.00 O ATOM 1419 ND2 ASN A 88 -7.778 -6.863 -14.960 1.00 0.00 N ATOM 0 H ASN A 88 -6.694 -5.706 -11.818 1.00 0.00 H new ATOM 0 HA ASN A 88 -4.277 -5.817 -13.486 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.073 -4.640 -13.856 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.832 -4.580 -15.091 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.028 -7.811 -15.240 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.495 -6.139 -14.915 1.00 0.00 H new ATOM 1426 N SER A 89 -4.222 -3.499 -11.668 1.00 0.00 N ATOM 1427 CA SER A 89 -3.721 -2.132 -11.349 1.00 0.00 C ATOM 1428 C SER A 89 -2.694 -1.714 -12.403 1.00 0.00 C ATOM 1429 O SER A 89 -2.277 -2.518 -13.214 1.00 0.00 O ATOM 1430 CB SER A 89 -3.065 -2.145 -9.970 1.00 0.00 C ATOM 1431 OG SER A 89 -2.185 -3.257 -9.888 1.00 0.00 O ATOM 0 H SER A 89 -4.236 -4.152 -10.885 1.00 0.00 H new ATOM 0 HA SER A 89 -4.550 -1.425 -11.349 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.516 -1.218 -9.805 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.825 -2.208 -9.192 1.00 0.00 H new ATOM 0 HG SER A 89 -2.659 -4.021 -9.498 1.00 0.00 H new ATOM 1437 N SER A 90 -2.281 -0.469 -12.410 1.00 0.00 N ATOM 1438 CA SER A 90 -1.278 -0.014 -13.429 1.00 0.00 C ATOM 1439 C SER A 90 -0.272 0.920 -12.758 1.00 0.00 C ATOM 1440 O SER A 90 -0.532 1.465 -11.702 1.00 0.00 O ATOM 1441 CB SER A 90 -1.997 0.730 -14.558 1.00 0.00 C ATOM 1442 OG SER A 90 -2.227 2.076 -14.166 1.00 0.00 O ATOM 0 H SER A 90 -2.593 0.250 -11.758 1.00 0.00 H new ATOM 0 HA SER A 90 -0.757 -0.877 -13.843 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.396 0.702 -15.467 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.943 0.240 -14.786 1.00 0.00 H new ATOM 0 HG SER A 90 -3.182 2.206 -13.987 1.00 0.00 H new ATOM 1448 N ILE A 91 0.871 1.129 -13.367 1.00 0.00 N ATOM 1449 CA ILE A 91 1.894 2.046 -12.772 1.00 0.00 C ATOM 1450 C ILE A 91 2.553 2.861 -13.889 1.00 0.00 C ATOM 1451 O ILE A 91 2.952 2.318 -14.901 1.00 0.00 O ATOM 1452 CB ILE A 91 2.973 1.239 -12.032 1.00 0.00 C ATOM 1453 CG1 ILE A 91 2.359 0.548 -10.807 1.00 0.00 C ATOM 1454 CG2 ILE A 91 4.093 2.181 -11.576 1.00 0.00 C ATOM 1455 CD1 ILE A 91 3.372 -0.430 -10.208 1.00 0.00 C ATOM 0 H ILE A 91 1.140 0.702 -14.254 1.00 0.00 H new ATOM 0 HA ILE A 91 1.401 2.711 -12.063 1.00 0.00 H new ATOM 0 HB ILE A 91 3.380 0.484 -12.705 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.072 1.291 -10.063 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.451 0.017 -11.093 1.00 0.00 H new ATOM 0 HG21 ILE A 91 4.858 1.609 -11.051 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.536 2.667 -12.445 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.683 2.937 -10.907 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.934 -0.920 -9.338 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.637 -1.181 -10.952 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.268 0.113 -9.906 1.00 0.00 H new ATOM 1467 N GLU A 92 2.678 4.159 -13.714 1.00 0.00 N ATOM 1468 CA GLU A 92 3.325 5.015 -14.767 1.00 0.00 C ATOM 1469 C GLU A 92 4.484 5.802 -14.147 1.00 0.00 C ATOM 1470 O GLU A 92 4.319 6.509 -13.173 1.00 0.00 O ATOM 1471 CB GLU A 92 2.297 5.999 -15.337 1.00 0.00 C ATOM 1472 CG GLU A 92 2.934 6.804 -16.473 1.00 0.00 C ATOM 1473 CD GLU A 92 1.889 7.740 -17.083 1.00 0.00 C ATOM 1474 OE1 GLU A 92 0.836 7.890 -16.486 1.00 0.00 O ATOM 1475 OE2 GLU A 92 2.160 8.292 -18.137 1.00 0.00 O ATOM 0 H GLU A 92 2.360 4.663 -12.887 1.00 0.00 H new ATOM 0 HA GLU A 92 3.700 4.376 -15.566 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.425 5.458 -15.705 1.00 0.00 H new ATOM 0 HB3 GLU A 92 1.947 6.671 -14.553 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.778 7.381 -16.095 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.324 6.130 -17.236 1.00 0.00 H new ATOM 1482 N LYS A 93 5.658 5.679 -14.708 1.00 0.00 N ATOM 1483 CA LYS A 93 6.839 6.411 -14.164 1.00 0.00 C ATOM 1484 C LYS A 93 6.751 7.895 -14.543 1.00 0.00 C ATOM 1485 O LYS A 93 6.359 8.238 -15.641 1.00 0.00 O ATOM 1486 CB LYS A 93 8.118 5.805 -14.744 1.00 0.00 C ATOM 1487 CG LYS A 93 9.335 6.422 -14.052 1.00 0.00 C ATOM 1488 CD LYS A 93 10.613 5.692 -14.491 1.00 0.00 C ATOM 1489 CE LYS A 93 10.923 6.000 -15.959 1.00 0.00 C ATOM 1490 NZ LYS A 93 12.331 5.614 -16.257 1.00 0.00 N ATOM 0 H LYS A 93 5.850 5.099 -15.525 1.00 0.00 H new ATOM 0 HA LYS A 93 6.853 6.323 -13.078 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.116 4.724 -14.605 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.165 5.988 -15.818 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.407 7.481 -14.300 1.00 0.00 H new ATOM 0 HG3 LYS A 93 9.221 6.355 -12.970 1.00 0.00 H new ATOM 0 HD2 LYS A 93 11.449 5.999 -13.863 1.00 0.00 H new ATOM 0 HD3 LYS A 93 10.491 4.617 -14.356 1.00 0.00 H new ATOM 0 HE2 LYS A 93 10.239 5.455 -16.609 1.00 0.00 H new ATOM 0 HE3 LYS A 93 10.775 7.061 -16.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.545 5.822 -17.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 12.976 6.153 -15.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.457 4.597 -16.081 1.00 0.00 H new ATOM 1504 N LEU A 94 7.117 8.779 -13.643 1.00 0.00 N ATOM 1505 CA LEU A 94 7.061 10.248 -13.949 1.00 0.00 C ATOM 1506 C LEU A 94 8.451 10.746 -14.363 1.00 0.00 C ATOM 1507 O LEU A 94 9.460 10.334 -13.828 1.00 0.00 O ATOM 1508 CB LEU A 94 6.590 11.021 -12.700 1.00 0.00 C ATOM 1509 CG LEU A 94 5.055 11.084 -12.644 1.00 0.00 C ATOM 1510 CD1 LEU A 94 4.498 11.976 -13.776 1.00 0.00 C ATOM 1511 CD2 LEU A 94 4.480 9.671 -12.767 1.00 0.00 C ATOM 0 H LEU A 94 7.453 8.547 -12.708 1.00 0.00 H new ATOM 0 HA LEU A 94 6.359 10.416 -14.766 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.972 10.536 -11.801 1.00 0.00 H new ATOM 0 HB3 LEU A 94 7.000 12.031 -12.716 1.00 0.00 H new ATOM 0 HG LEU A 94 4.760 11.519 -11.689 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.410 12.004 -13.715 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.894 12.986 -13.671 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.797 11.567 -14.741 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.392 9.716 -12.727 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.791 9.233 -13.716 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.848 9.056 -11.946 1.00 0.00 H new ATOM 1523 N SER A 95 8.497 11.641 -15.313 1.00 0.00 N ATOM 1524 CA SER A 95 9.802 12.191 -15.775 1.00 0.00 C ATOM 1525 C SER A 95 10.237 13.338 -14.854 1.00 0.00 C ATOM 1526 O SER A 95 11.309 13.888 -15.006 1.00 0.00 O ATOM 1527 CB SER A 95 9.644 12.719 -17.201 1.00 0.00 C ATOM 1528 OG SER A 95 8.784 13.851 -17.189 1.00 0.00 O ATOM 0 H SER A 95 7.679 12.017 -15.792 1.00 0.00 H new ATOM 0 HA SER A 95 10.557 11.405 -15.751 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.617 12.991 -17.610 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.233 11.942 -17.846 1.00 0.00 H new ATOM 0 HG SER A 95 8.681 14.194 -18.101 1.00 0.00 H new ATOM 1534 N GLU A 96 9.410 13.701 -13.900 1.00 0.00 N ATOM 1535 CA GLU A 96 9.765 14.815 -12.958 1.00 0.00 C ATOM 1536 C GLU A 96 10.035 14.232 -11.559 1.00 0.00 C ATOM 1537 O GLU A 96 9.260 13.433 -11.073 1.00 0.00 O ATOM 1538 CB GLU A 96 8.583 15.785 -12.862 1.00 0.00 C ATOM 1539 CG GLU A 96 9.025 17.068 -12.152 1.00 0.00 C ATOM 1540 CD GLU A 96 7.845 18.038 -12.072 1.00 0.00 C ATOM 1541 OE1 GLU A 96 6.989 17.831 -11.226 1.00 0.00 O ATOM 1542 OE2 GLU A 96 7.813 18.968 -12.860 1.00 0.00 O ATOM 0 H GLU A 96 8.500 13.272 -13.732 1.00 0.00 H new ATOM 0 HA GLU A 96 10.651 15.334 -13.324 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.211 16.020 -13.859 1.00 0.00 H new ATOM 0 HB3 GLU A 96 7.762 15.320 -12.316 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.387 16.836 -11.151 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.852 17.529 -12.692 1.00 0.00 H new ATOM 1549 N PRO A 97 11.109 14.617 -10.900 1.00 0.00 N ATOM 1550 CA PRO A 97 11.424 14.099 -9.536 1.00 0.00 C ATOM 1551 C PRO A 97 10.524 14.723 -8.461 1.00 0.00 C ATOM 1552 O PRO A 97 9.993 15.803 -8.631 1.00 0.00 O ATOM 1553 CB PRO A 97 12.893 14.491 -9.339 1.00 0.00 C ATOM 1554 CG PRO A 97 13.057 15.738 -10.141 1.00 0.00 C ATOM 1555 CD PRO A 97 12.136 15.580 -11.357 1.00 0.00 C ATOM 0 HA PRO A 97 11.253 13.026 -9.446 1.00 0.00 H new ATOM 0 HB2 PRO A 97 13.120 14.663 -8.287 1.00 0.00 H new ATOM 0 HB3 PRO A 97 13.564 13.705 -9.686 1.00 0.00 H new ATOM 0 HG2 PRO A 97 12.785 16.617 -9.557 1.00 0.00 H new ATOM 0 HG3 PRO A 97 14.094 15.870 -10.451 1.00 0.00 H new ATOM 0 HD2 PRO A 97 11.691 16.531 -11.648 1.00 0.00 H new ATOM 0 HD3 PRO A 97 12.679 15.204 -12.224 1.00 0.00 H new ATOM 1563 N ILE A 98 10.351 14.043 -7.354 1.00 0.00 N ATOM 1564 CA ILE A 98 9.488 14.568 -6.247 1.00 0.00 C ATOM 1565 C ILE A 98 10.381 14.987 -5.078 1.00 0.00 C ATOM 1566 O ILE A 98 11.283 14.271 -4.687 1.00 0.00 O ATOM 1567 CB ILE A 98 8.525 13.464 -5.798 1.00 0.00 C ATOM 1568 CG1 ILE A 98 7.575 13.129 -6.952 1.00 0.00 C ATOM 1569 CG2 ILE A 98 7.713 13.934 -4.587 1.00 0.00 C ATOM 1570 CD1 ILE A 98 6.783 11.863 -6.615 1.00 0.00 C ATOM 0 H ILE A 98 10.776 13.135 -7.167 1.00 0.00 H new ATOM 0 HA ILE A 98 8.914 15.429 -6.591 1.00 0.00 H new ATOM 0 HB ILE A 98 9.096 12.579 -5.518 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.893 13.961 -7.128 1.00 0.00 H new ATOM 0 HG13 ILE A 98 8.141 12.982 -7.871 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.032 13.142 -4.276 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.389 14.174 -3.766 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.139 14.821 -4.856 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.108 11.627 -7.437 1.00 0.00 H new ATOM 0 HD12 ILE A 98 7.472 11.033 -6.461 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.204 12.027 -5.706 1.00 0.00 H new ATOM 1582 N GLU A 99 10.145 16.146 -4.520 1.00 0.00 N ATOM 1583 CA GLU A 99 10.988 16.617 -3.380 1.00 0.00 C ATOM 1584 C GLU A 99 10.395 16.125 -2.060 1.00 0.00 C ATOM 1585 O GLU A 99 9.253 16.392 -1.744 1.00 0.00 O ATOM 1586 CB GLU A 99 11.028 18.149 -3.379 1.00 0.00 C ATOM 1587 CG GLU A 99 11.924 18.647 -2.239 1.00 0.00 C ATOM 1588 CD GLU A 99 12.014 20.174 -2.289 1.00 0.00 C ATOM 1589 OE1 GLU A 99 11.244 20.768 -3.024 1.00 0.00 O ATOM 1590 OE2 GLU A 99 12.852 20.721 -1.590 1.00 0.00 O ATOM 0 H GLU A 99 9.405 16.787 -4.804 1.00 0.00 H new ATOM 0 HA GLU A 99 11.998 16.222 -3.490 1.00 0.00 H new ATOM 0 HB2 GLU A 99 11.405 18.512 -4.335 1.00 0.00 H new ATOM 0 HB3 GLU A 99 10.020 18.548 -3.262 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.520 18.327 -1.279 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.919 18.211 -2.327 1.00 0.00 H new ATOM 1597 N VAL A 100 11.177 15.421 -1.277 1.00 0.00 N ATOM 1598 CA VAL A 100 10.693 14.913 0.044 1.00 0.00 C ATOM 1599 C VAL A 100 11.528 15.557 1.151 1.00 0.00 C ATOM 1600 O VAL A 100 11.241 15.421 2.323 1.00 0.00 O ATOM 1601 CB VAL A 100 10.857 13.394 0.099 1.00 0.00 C ATOM 1602 CG1 VAL A 100 9.951 12.749 -0.951 1.00 0.00 C ATOM 1603 CG2 VAL A 100 12.313 13.025 -0.189 1.00 0.00 C ATOM 0 H VAL A 100 12.141 15.174 -1.501 1.00 0.00 H new ATOM 0 HA VAL A 100 9.641 15.164 0.177 1.00 0.00 H new ATOM 0 HB VAL A 100 10.582 13.034 1.091 1.00 0.00 H new ATOM 0 HG11 VAL A 100 10.066 11.666 -0.914 1.00 0.00 H new ATOM 0 HG12 VAL A 100 8.913 13.011 -0.746 1.00 0.00 H new ATOM 0 HG13 VAL A 100 10.228 13.110 -1.942 1.00 0.00 H new ATOM 0 HG21 VAL A 100 12.429 11.942 -0.149 1.00 0.00 H new ATOM 0 HG22 VAL A 100 12.590 13.384 -1.180 1.00 0.00 H new ATOM 0 HG23 VAL A 100 12.960 13.486 0.557 1.00 0.00 H new ATOM 1613 N GLY A 101 12.562 16.267 0.780 1.00 0.00 N ATOM 1614 CA GLY A 101 13.425 16.936 1.794 1.00 0.00 C ATOM 1615 C GLY A 101 12.903 18.350 2.037 1.00 0.00 C ATOM 1616 O GLY A 101 12.846 19.165 1.138 1.00 0.00 O ATOM 0 H GLY A 101 12.846 16.412 -0.189 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.421 16.368 2.725 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.457 16.971 1.446 1.00 0.00 H new ATOM 1620 N LEU A 102 12.522 18.645 3.248 1.00 0.00 N ATOM 1621 CA LEU A 102 11.999 20.003 3.573 1.00 0.00 C ATOM 1622 C LEU A 102 13.124 20.825 4.205 1.00 0.00 C ATOM 1623 O LEU A 102 13.566 20.560 5.305 1.00 0.00 O ATOM 1624 CB LEU A 102 10.831 19.863 4.552 1.00 0.00 C ATOM 1625 CG LEU A 102 9.769 18.931 3.951 1.00 0.00 C ATOM 1626 CD1 LEU A 102 8.628 18.741 4.954 1.00 0.00 C ATOM 1627 CD2 LEU A 102 9.217 19.533 2.645 1.00 0.00 C ATOM 0 H LEU A 102 12.551 17.997 4.035 1.00 0.00 H new ATOM 0 HA LEU A 102 11.650 20.505 2.671 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.185 19.464 5.502 1.00 0.00 H new ATOM 0 HB3 LEU A 102 10.397 20.841 4.759 1.00 0.00 H new ATOM 0 HG LEU A 102 10.224 17.965 3.731 1.00 0.00 H new ATOM 0 HD11 LEU A 102 7.874 18.079 4.527 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.019 18.301 5.871 1.00 0.00 H new ATOM 0 HD13 LEU A 102 8.177 19.707 5.179 1.00 0.00 H new ATOM 0 HD21 LEU A 102 8.464 18.865 2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 102 8.765 20.503 2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 102 10.030 19.658 1.930 1.00 0.00 H new ATOM 1639 N GLU A 103 13.595 21.810 3.499 1.00 0.00 N ATOM 1640 CA GLU A 103 14.705 22.660 4.021 1.00 0.00 C ATOM 1641 C GLU A 103 14.274 23.361 5.312 1.00 0.00 C ATOM 1642 O GLU A 103 13.153 23.809 5.443 1.00 0.00 O ATOM 1643 CB GLU A 103 15.068 23.713 2.972 1.00 0.00 C ATOM 1644 CG GLU A 103 15.678 23.029 1.746 1.00 0.00 C ATOM 1645 CD GLU A 103 15.951 24.074 0.662 1.00 0.00 C ATOM 1646 OE1 GLU A 103 15.702 25.241 0.917 1.00 0.00 O ATOM 1647 OE2 GLU A 103 16.404 23.689 -0.403 1.00 0.00 O ATOM 0 H GLU A 103 13.257 22.068 2.572 1.00 0.00 H new ATOM 0 HA GLU A 103 15.568 22.029 4.231 1.00 0.00 H new ATOM 0 HB2 GLU A 103 14.179 24.274 2.683 1.00 0.00 H new ATOM 0 HB3 GLU A 103 15.775 24.429 3.391 1.00 0.00 H new ATOM 0 HG2 GLU A 103 16.604 22.524 2.021 1.00 0.00 H new ATOM 0 HG3 GLU A 103 14.999 22.265 1.367 1.00 0.00 H new ATOM 1654 N HIS A 104 15.164 23.464 6.264 1.00 0.00 N ATOM 1655 CA HIS A 104 14.814 24.142 7.544 1.00 0.00 C ATOM 1656 C HIS A 104 14.395 25.585 7.254 1.00 0.00 C ATOM 1657 O HIS A 104 13.228 25.888 7.107 1.00 0.00 O ATOM 1658 CB HIS A 104 16.036 24.151 8.468 1.00 0.00 C ATOM 1659 CG HIS A 104 16.425 22.739 8.808 1.00 0.00 C ATOM 1660 ND1 HIS A 104 15.618 21.915 9.574 1.00 0.00 N ATOM 1661 CD2 HIS A 104 17.536 21.995 8.498 1.00 0.00 C ATOM 1662 CE1 HIS A 104 16.249 20.732 9.698 1.00 0.00 C ATOM 1663 NE2 HIS A 104 17.423 20.728 9.061 1.00 0.00 N ATOM 0 H HIS A 104 16.118 23.107 6.209 1.00 0.00 H new ATOM 0 HA HIS A 104 13.994 23.608 8.025 1.00 0.00 H new ATOM 0 HB2 HIS A 104 16.868 24.660 7.982 1.00 0.00 H new ATOM 0 HB3 HIS A 104 15.811 24.706 9.379 1.00 0.00 H new ATOM 0 HD2 HIS A 104 18.371 22.341 7.907 1.00 0.00 H new ATOM 0 HE1 HIS A 104 15.854 19.889 10.246 1.00 0.00 H new ATOM 0 HE2 HIS A 104 18.093 19.961 9.000 1.00 0.00 H new ATOM 1671 N HIS A 105 15.346 26.477 7.167 1.00 0.00 N ATOM 1672 CA HIS A 105 15.018 27.902 6.882 1.00 0.00 C ATOM 1673 C HIS A 105 16.251 28.598 6.303 1.00 0.00 C ATOM 1674 O HIS A 105 17.370 28.172 6.509 1.00 0.00 O ATOM 1675 CB HIS A 105 14.598 28.599 8.178 1.00 0.00 C ATOM 1676 CG HIS A 105 15.691 28.460 9.201 1.00 0.00 C ATOM 1677 ND1 HIS A 105 16.858 27.756 8.945 1.00 0.00 N ATOM 1678 CD2 HIS A 105 15.810 28.928 10.487 1.00 0.00 C ATOM 1679 CE1 HIS A 105 17.621 27.821 10.052 1.00 0.00 C ATOM 1680 NE2 HIS A 105 17.029 28.523 11.022 1.00 0.00 N ATOM 0 H HIS A 105 16.340 26.278 7.282 1.00 0.00 H new ATOM 0 HA HIS A 105 14.200 27.952 6.164 1.00 0.00 H new ATOM 0 HB2 HIS A 105 14.396 29.653 7.987 1.00 0.00 H new ATOM 0 HB3 HIS A 105 13.674 28.161 8.556 1.00 0.00 H new ATOM 0 HD2 HIS A 105 15.070 29.520 11.004 1.00 0.00 H new ATOM 0 HE1 HIS A 105 18.594 27.361 10.145 1.00 0.00 H new ATOM 0 HE2 HIS A 105 17.392 28.720 11.955 1.00 0.00 H new ATOM 1688 N HIS A 106 16.055 29.670 5.584 1.00 0.00 N ATOM 1689 CA HIS A 106 17.213 30.404 4.990 1.00 0.00 C ATOM 1690 C HIS A 106 17.586 31.571 5.907 1.00 0.00 C ATOM 1691 O HIS A 106 18.219 32.523 5.495 1.00 0.00 O ATOM 1692 CB HIS A 106 16.820 30.938 3.612 1.00 0.00 C ATOM 1693 CG HIS A 106 16.466 29.783 2.715 1.00 0.00 C ATOM 1694 ND1 HIS A 106 17.430 28.963 2.149 1.00 0.00 N ATOM 1695 CD2 HIS A 106 15.257 29.295 2.284 1.00 0.00 C ATOM 1696 CE1 HIS A 106 16.791 28.033 1.416 1.00 0.00 C ATOM 1697 NE2 HIS A 106 15.465 28.190 1.463 1.00 0.00 N ATOM 0 H HIS A 106 15.140 30.072 5.381 1.00 0.00 H new ATOM 0 HA HIS A 106 18.066 29.733 4.887 1.00 0.00 H new ATOM 0 HB2 HIS A 106 15.973 31.618 3.701 1.00 0.00 H new ATOM 0 HB3 HIS A 106 17.643 31.509 3.182 1.00 0.00 H new ATOM 0 HD2 HIS A 106 14.292 29.706 2.542 1.00 0.00 H new ATOM 0 HE1 HIS A 106 17.289 27.254 0.858 1.00 0.00 H new ATOM 0 HE2 HIS A 106 14.757 27.622 0.997 1.00 0.00 H new ATOM 1705 N HIS A 107 17.189 31.500 7.147 1.00 0.00 N ATOM 1706 CA HIS A 107 17.504 32.597 8.105 1.00 0.00 C ATOM 1707 C HIS A 107 19.021 32.763 8.223 1.00 0.00 C ATOM 1708 O HIS A 107 19.532 33.864 8.271 1.00 0.00 O ATOM 1709 CB HIS A 107 16.922 32.249 9.476 1.00 0.00 C ATOM 1710 CG HIS A 107 17.139 33.397 10.424 1.00 0.00 C ATOM 1711 ND1 HIS A 107 18.365 33.636 11.027 1.00 0.00 N ATOM 1712 CD2 HIS A 107 16.296 34.376 10.888 1.00 0.00 C ATOM 1713 CE1 HIS A 107 18.226 34.719 11.813 1.00 0.00 C ATOM 1714 NE2 HIS A 107 16.984 35.210 11.765 1.00 0.00 N ATOM 0 H HIS A 107 16.656 30.724 7.541 1.00 0.00 H new ATOM 0 HA HIS A 107 17.069 33.529 7.745 1.00 0.00 H new ATOM 0 HB2 HIS A 107 15.857 32.035 9.386 1.00 0.00 H new ATOM 0 HB3 HIS A 107 17.396 31.348 9.865 1.00 0.00 H new ATOM 0 HD2 HIS A 107 15.257 34.483 10.614 1.00 0.00 H new ATOM 0 HE1 HIS A 107 19.021 35.140 12.410 1.00 0.00 H new ATOM 0 HE2 HIS A 107 16.619 36.021 12.264 1.00 0.00 H new ATOM 1722 N HIS A 108 19.745 31.680 8.277 1.00 0.00 N ATOM 1723 CA HIS A 108 21.227 31.781 8.400 1.00 0.00 C ATOM 1724 C HIS A 108 21.809 32.371 7.114 1.00 0.00 C ATOM 1725 O HIS A 108 21.543 31.900 6.026 1.00 0.00 O ATOM 1726 CB HIS A 108 21.816 30.387 8.631 1.00 0.00 C ATOM 1727 CG HIS A 108 23.284 30.506 8.937 1.00 0.00 C ATOM 1728 ND1 HIS A 108 24.257 30.345 7.964 1.00 0.00 N ATOM 1729 CD2 HIS A 108 23.958 30.771 10.102 1.00 0.00 C ATOM 1730 CE1 HIS A 108 25.453 30.512 8.556 1.00 0.00 C ATOM 1731 NE2 HIS A 108 25.329 30.773 9.860 1.00 0.00 N ATOM 0 H HIS A 108 19.376 30.730 8.241 1.00 0.00 H new ATOM 0 HA HIS A 108 21.477 32.427 9.242 1.00 0.00 H new ATOM 0 HB2 HIS A 108 21.301 29.895 9.456 1.00 0.00 H new ATOM 0 HB3 HIS A 108 21.667 29.767 7.747 1.00 0.00 H new ATOM 0 HD2 HIS A 108 23.495 30.951 11.061 1.00 0.00 H new ATOM 0 HE1 HIS A 108 26.399 30.443 8.040 1.00 0.00 H new ATOM 0 HE2 HIS A 108 26.077 30.938 10.533 1.00 0.00 H new ATOM 1739 N HIS A 109 22.605 33.403 7.231 1.00 0.00 N ATOM 1740 CA HIS A 109 23.210 34.031 6.019 1.00 0.00 C ATOM 1741 C HIS A 109 24.574 33.394 5.745 1.00 0.00 C ATOM 1742 O HIS A 109 25.354 33.287 6.678 1.00 0.00 O ATOM 1743 CB HIS A 109 23.389 35.531 6.263 1.00 0.00 C ATOM 1744 CG HIS A 109 22.040 36.179 6.408 1.00 0.00 C ATOM 1745 ND1 HIS A 109 21.417 36.319 7.639 1.00 0.00 N ATOM 1746 CD2 HIS A 109 21.181 36.727 5.488 1.00 0.00 C ATOM 1747 CE1 HIS A 109 20.235 36.928 7.428 1.00 0.00 C ATOM 1748 NE2 HIS A 109 20.043 37.200 6.135 1.00 0.00 N ATOM 1749 OXT HIS A 109 24.816 33.026 4.607 1.00 0.00 O ATOM 0 H HIS A 109 22.862 33.839 8.117 1.00 0.00 H new ATOM 0 HA HIS A 109 22.556 33.876 5.161 1.00 0.00 H new ATOM 0 HB2 HIS A 109 23.982 35.696 7.162 1.00 0.00 H new ATOM 0 HB3 HIS A 109 23.934 35.983 5.434 1.00 0.00 H new ATOM 0 HD2 HIS A 109 21.361 36.783 4.425 1.00 0.00 H new ATOM 0 HE1 HIS A 109 19.529 37.167 8.209 1.00 0.00 H new ATOM 0 HE2 HIS A 109 19.235 37.657 5.712 1.00 0.00 H new TER 1757 HIS A 109