USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 844 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 74 SER OG : rot 174:sc= 0 USER MOD Set 1.2: A 79 GLN : amide:sc= -4.49 K(o=-4.5,f=-6.6!) USER MOD Set 2.1: A 70 THR OG1 : rot -90:sc= -2.91 USER MOD Set 2.2: A 80 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 41 SER OG : rot -69:sc= -4.56! USER MOD Set 3.2: A 69 THR OG1 : rot -95:sc= 0.566 USER MOD Single : A 17 ASN : amide:sc= -1.91! C(o=-1.9!,f=-3.9!) USER MOD Single : A 22 GLN : amide:sc=-0.00591 X(o=-0.0059,f=-0.041) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.0207 F(o=-1.1,f=-0.021) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.0965 USER MOD Single : A 33 ASN :FLIP amide:sc= -1.92 F(o=-3.9!,f=-1.9) USER MOD Single : A 36 SER OG : rot 26:sc= -1.65! USER MOD Single : A 37 ASN :FLIP amide:sc= -0.0752 F(o=-1.5,f=-0.075) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= -0.192 USER MOD Single : A 51 LYS NZ :NH3+ 161:sc= -0.0139 (180deg=-0.201) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot -68:sc= 1.27 USER MOD Single : A 59 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.632) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN :FLIP amide:sc= -0.0537 F(o=-1.6!,f=-0.054) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HE2:sc= -15.4! C(o=-15!,f=-18!) USER MOD Single : A 89 MET CE :methyl -156:sc= -0.686 (180deg=-2.61!) USER MOD Single : A 91 LYS NZ :NH3+ -145:sc= -0.0879 (180deg=-0.433) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.7 USER MOD Single : A 100 TYR OH : rot -6:sc= -5.48! USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.12 K(o=-0.12,f=-1.2!) USER MOD Single : A 107 GLN : amide:sc= -0.0776 K(o=-0.078,f=-0.68) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot -39:sc= 0.347! USER MOD Single : A 114 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.12) USER MOD Single : A 116 GLN : amide:sc= -0.237 K(o=-0.24,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 9 -19.438 -1.183 15.805 1.00 0.00 N ATOM 2 CA GLY A 9 -18.270 -2.057 16.264 1.00 0.00 C ATOM 3 C GLY A 9 -16.968 -1.419 16.604 1.00 0.00 C ATOM 4 O GLY A 9 -16.066 -2.059 17.105 1.00 0.00 O ATOM 0 HA2 GLY A 9 -18.602 -2.611 17.142 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -18.080 -2.788 15.478 1.00 0.00 H new ATOM 7 N ALA A 10 -16.833 -0.149 16.341 1.00 0.00 N ATOM 8 CA ALA A 10 -15.554 0.545 16.656 1.00 0.00 C ATOM 9 C ALA A 10 -14.426 -0.075 15.829 1.00 0.00 C ATOM 10 O ALA A 10 -14.639 -1.035 15.114 1.00 0.00 O ATOM 11 CB ALA A 10 -15.244 0.391 18.146 1.00 0.00 C ATOM 0 H ALA A 10 -17.554 0.438 15.921 1.00 0.00 H new ATOM 0 HA ALA A 10 -15.642 1.604 16.414 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -14.308 0.899 18.377 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -16.050 0.831 18.733 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -15.153 -0.667 18.391 1.00 0.00 H new ATOM 17 N PRO A 11 -13.259 0.498 15.953 1.00 0.00 N ATOM 18 CA PRO A 11 -12.040 0.039 15.226 1.00 0.00 C ATOM 19 C PRO A 11 -11.392 -1.148 15.950 1.00 0.00 C ATOM 20 O PRO A 11 -11.587 -1.350 17.130 1.00 0.00 O ATOM 21 CB PRO A 11 -11.134 1.261 15.266 1.00 0.00 C ATOM 22 CG PRO A 11 -11.571 2.104 16.461 1.00 0.00 C ATOM 23 CD PRO A 11 -12.998 1.680 16.833 1.00 0.00 C ATOM 0 HA PRO A 11 -12.246 -0.307 14.213 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.090 0.964 15.365 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.216 1.832 14.341 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.895 1.953 17.303 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.539 3.165 16.213 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.075 1.418 17.888 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.714 2.481 16.650 1.00 0.00 H new ATOM 31 N VAL A 12 -10.625 -1.928 15.242 1.00 0.00 N ATOM 32 CA VAL A 12 -9.956 -3.103 15.868 1.00 0.00 C ATOM 33 C VAL A 12 -8.748 -3.474 15.012 1.00 0.00 C ATOM 34 O VAL A 12 -8.662 -3.053 13.882 1.00 0.00 O ATOM 35 CB VAL A 12 -10.940 -4.277 15.916 1.00 0.00 C ATOM 36 CG1 VAL A 12 -12.103 -3.932 16.847 1.00 0.00 C ATOM 37 CG2 VAL A 12 -11.476 -4.550 14.508 1.00 0.00 C ATOM 0 H VAL A 12 -10.431 -1.801 14.249 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.636 -2.867 16.883 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.429 -5.164 16.289 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -12.802 -4.767 16.881 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.721 -3.738 17.849 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -12.615 -3.045 16.476 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.176 -5.385 14.541 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.987 -3.662 14.135 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.647 -4.797 13.845 1.00 0.00 H new ATOM 47 N PRO A 13 -7.854 -4.248 15.564 1.00 0.00 N ATOM 48 CA PRO A 13 -6.619 -4.695 14.848 1.00 0.00 C ATOM 49 C PRO A 13 -6.957 -5.798 13.840 1.00 0.00 C ATOM 50 O PRO A 13 -8.035 -6.359 13.861 1.00 0.00 O ATOM 51 CB PRO A 13 -5.734 -5.217 15.972 1.00 0.00 C ATOM 52 CG PRO A 13 -6.657 -5.595 17.124 1.00 0.00 C ATOM 53 CD PRO A 13 -7.948 -4.785 16.961 1.00 0.00 C ATOM 0 HA PRO A 13 -6.138 -3.905 14.270 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.157 -6.080 15.640 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.018 -4.457 16.284 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.870 -6.664 17.110 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -6.185 -5.376 18.082 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.832 -5.409 17.092 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.013 -3.982 17.695 1.00 0.00 H new ATOM 61 N VAL A 14 -6.048 -6.107 12.954 1.00 0.00 N ATOM 62 CA VAL A 14 -6.321 -7.162 11.943 1.00 0.00 C ATOM 63 C VAL A 14 -5.462 -8.393 12.230 1.00 0.00 C ATOM 64 O VAL A 14 -4.280 -8.292 12.496 1.00 0.00 O ATOM 65 CB VAL A 14 -5.981 -6.633 10.559 1.00 0.00 C ATOM 66 CG1 VAL A 14 -6.798 -7.383 9.507 1.00 0.00 C ATOM 67 CG2 VAL A 14 -6.279 -5.132 10.469 1.00 0.00 C ATOM 0 H VAL A 14 -5.128 -5.672 12.889 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.375 -7.436 11.989 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.918 -6.790 10.376 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.552 -7.002 8.516 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.564 -8.447 9.555 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.861 -7.236 9.699 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.030 -4.771 9.471 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.337 -4.959 10.663 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.682 -4.598 11.208 1.00 0.00 H new ATOM 77 N ASP A 15 -6.046 -9.558 12.172 1.00 0.00 N ATOM 78 CA ASP A 15 -5.267 -10.798 12.430 1.00 0.00 C ATOM 79 C ASP A 15 -4.826 -11.392 11.092 1.00 0.00 C ATOM 80 O ASP A 15 -5.626 -11.597 10.201 1.00 0.00 O ATOM 81 CB ASP A 15 -6.152 -11.807 13.175 1.00 0.00 C ATOM 82 CG ASP A 15 -7.557 -11.799 12.569 1.00 0.00 C ATOM 83 OD1 ASP A 15 -7.660 -11.629 11.366 1.00 0.00 O ATOM 84 OD2 ASP A 15 -8.504 -11.965 13.319 1.00 0.00 O ATOM 0 H ASP A 15 -7.032 -9.703 11.956 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.391 -10.569 13.038 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.720 -12.806 13.106 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.200 -11.553 14.234 1.00 0.00 H new ATOM 89 N GLU A 16 -3.560 -11.667 10.938 1.00 0.00 N ATOM 90 CA GLU A 16 -3.081 -12.244 9.652 1.00 0.00 C ATOM 91 C GLU A 16 -3.153 -13.772 9.719 1.00 0.00 C ATOM 92 O GLU A 16 -2.448 -14.465 9.012 1.00 0.00 O ATOM 93 CB GLU A 16 -1.634 -11.802 9.398 1.00 0.00 C ATOM 94 CG GLU A 16 -1.188 -12.297 8.022 1.00 0.00 C ATOM 95 CD GLU A 16 0.005 -13.244 8.181 1.00 0.00 C ATOM 96 OE1 GLU A 16 0.847 -12.966 9.021 1.00 0.00 O ATOM 97 OE2 GLU A 16 0.057 -14.227 7.462 1.00 0.00 O ATOM 0 H GLU A 16 -2.840 -11.518 11.644 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.712 -11.890 8.837 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.559 -10.716 9.448 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.978 -12.202 10.171 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.010 -12.811 7.525 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.913 -11.452 7.391 1.00 0.00 H new ATOM 104 N ASN A 17 -3.995 -14.304 10.566 1.00 0.00 N ATOM 105 CA ASN A 17 -4.107 -15.778 10.677 1.00 0.00 C ATOM 106 C ASN A 17 -5.262 -16.274 9.800 1.00 0.00 C ATOM 107 O ASN A 17 -5.510 -17.458 9.697 1.00 0.00 O ATOM 108 CB ASN A 17 -4.376 -16.146 12.137 1.00 0.00 C ATOM 109 CG ASN A 17 -3.704 -15.127 13.062 1.00 0.00 C ATOM 110 OD1 ASN A 17 -4.369 -14.313 13.671 1.00 0.00 O ATOM 111 ND2 ASN A 17 -2.406 -15.138 13.192 1.00 0.00 N ATOM 0 H ASN A 17 -4.609 -13.775 11.185 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.180 -16.245 10.343 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.450 -16.168 12.324 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.996 -17.146 12.345 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -1.949 -14.463 13.805 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.848 -15.822 12.680 1.00 0.00 H new ATOM 118 N ASP A 18 -5.973 -15.376 9.169 1.00 0.00 N ATOM 119 CA ASP A 18 -7.110 -15.803 8.302 1.00 0.00 C ATOM 120 C ASP A 18 -6.625 -15.965 6.861 1.00 0.00 C ATOM 121 O ASP A 18 -6.000 -15.085 6.303 1.00 0.00 O ATOM 122 CB ASP A 18 -8.212 -14.748 8.356 1.00 0.00 C ATOM 123 CG ASP A 18 -9.521 -15.352 7.844 1.00 0.00 C ATOM 124 OD1 ASP A 18 -9.768 -16.512 8.130 1.00 0.00 O ATOM 125 OD2 ASP A 18 -10.256 -14.643 7.174 1.00 0.00 O ATOM 0 H ASP A 18 -5.816 -14.369 9.216 1.00 0.00 H new ATOM 0 HA ASP A 18 -7.501 -16.756 8.659 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -8.339 -14.391 9.378 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -7.935 -13.886 7.749 1.00 0.00 H new ATOM 130 N GLU A 19 -6.904 -17.087 6.256 1.00 0.00 N ATOM 131 CA GLU A 19 -6.451 -17.311 4.849 1.00 0.00 C ATOM 132 C GLU A 19 -7.362 -16.542 3.869 1.00 0.00 C ATOM 133 O GLU A 19 -7.033 -16.380 2.711 1.00 0.00 O ATOM 134 CB GLU A 19 -6.477 -18.827 4.553 1.00 0.00 C ATOM 135 CG GLU A 19 -6.852 -19.092 3.096 1.00 0.00 C ATOM 136 CD GLU A 19 -5.766 -18.534 2.174 1.00 0.00 C ATOM 137 OE1 GLU A 19 -4.601 -18.671 2.512 1.00 0.00 O ATOM 138 OE2 GLU A 19 -6.116 -17.975 1.148 1.00 0.00 O ATOM 0 H GLU A 19 -7.425 -17.859 6.672 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.435 -16.939 4.721 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.499 -19.260 4.766 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.193 -19.318 5.212 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.969 -20.163 2.930 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.811 -18.627 2.867 1.00 0.00 H new ATOM 145 N GLY A 20 -8.498 -16.068 4.309 1.00 0.00 N ATOM 146 CA GLY A 20 -9.399 -15.326 3.381 1.00 0.00 C ATOM 147 C GLY A 20 -8.754 -13.999 2.979 1.00 0.00 C ATOM 148 O GLY A 20 -9.124 -13.392 1.992 1.00 0.00 O ATOM 0 H GLY A 20 -8.839 -16.162 5.266 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.597 -15.928 2.494 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -10.360 -15.142 3.862 1.00 0.00 H new ATOM 152 N LEU A 21 -7.800 -13.535 3.736 1.00 0.00 N ATOM 153 CA LEU A 21 -7.143 -12.237 3.395 1.00 0.00 C ATOM 154 C LEU A 21 -6.182 -12.420 2.213 1.00 0.00 C ATOM 155 O LEU A 21 -5.811 -11.469 1.556 1.00 0.00 O ATOM 156 CB LEU A 21 -6.364 -11.729 4.617 1.00 0.00 C ATOM 157 CG LEU A 21 -5.791 -10.332 4.341 1.00 0.00 C ATOM 158 CD1 LEU A 21 -4.512 -10.458 3.509 1.00 0.00 C ATOM 159 CD2 LEU A 21 -6.815 -9.484 3.580 1.00 0.00 C ATOM 0 H LEU A 21 -7.445 -13.995 4.575 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.908 -11.513 3.115 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.020 -11.695 5.487 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.556 -12.421 4.855 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.563 -9.848 5.291 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.106 -9.466 3.313 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.778 -11.049 4.057 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.740 -10.949 2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.399 -8.495 3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.054 -9.966 2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.722 -9.387 4.176 1.00 0.00 H new ATOM 171 N GLN A 22 -5.775 -13.630 1.931 1.00 0.00 N ATOM 172 CA GLN A 22 -4.842 -13.853 0.801 1.00 0.00 C ATOM 173 C GLN A 22 -5.500 -13.435 -0.515 1.00 0.00 C ATOM 174 O GLN A 22 -4.848 -13.319 -1.534 1.00 0.00 O ATOM 175 CB GLN A 22 -4.437 -15.327 0.760 1.00 0.00 C ATOM 176 CG GLN A 22 -3.094 -15.453 0.052 1.00 0.00 C ATOM 177 CD GLN A 22 -3.292 -16.110 -1.314 1.00 0.00 C ATOM 178 OE1 GLN A 22 -3.707 -17.250 -1.398 1.00 0.00 O ATOM 179 NE2 GLN A 22 -3.014 -15.436 -2.396 1.00 0.00 N ATOM 0 H GLN A 22 -6.052 -14.471 2.438 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.948 -13.245 0.941 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -4.368 -15.727 1.772 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.194 -15.911 0.237 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.642 -14.469 -0.069 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.408 -16.047 0.656 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.666 -14.480 -2.326 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.145 -15.865 -3.312 1.00 0.00 H new ATOM 188 N ARG A 23 -6.783 -13.202 -0.503 1.00 0.00 N ATOM 189 CA ARG A 23 -7.469 -12.786 -1.761 1.00 0.00 C ATOM 190 C ARG A 23 -7.378 -11.267 -1.903 1.00 0.00 C ATOM 191 O ARG A 23 -6.903 -10.753 -2.897 1.00 0.00 O ATOM 192 CB ARG A 23 -8.939 -13.208 -1.708 1.00 0.00 C ATOM 193 CG ARG A 23 -9.647 -12.763 -2.991 1.00 0.00 C ATOM 194 CD ARG A 23 -9.824 -13.966 -3.920 1.00 0.00 C ATOM 195 NE ARG A 23 -10.454 -13.520 -5.193 1.00 0.00 N ATOM 196 CZ ARG A 23 -10.522 -14.336 -6.211 1.00 0.00 C ATOM 197 NH1 ARG A 23 -9.476 -14.520 -6.969 1.00 0.00 N ATOM 198 NH2 ARG A 23 -11.634 -14.967 -6.467 1.00 0.00 N ATOM 0 H ARG A 23 -7.384 -13.281 0.317 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.989 -13.264 -2.615 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.014 -14.290 -1.596 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.425 -12.763 -0.839 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.618 -12.329 -2.751 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -9.066 -11.987 -3.490 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.858 -14.428 -4.122 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.445 -14.722 -3.440 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.833 -12.576 -5.270 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.606 -14.027 -6.766 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.528 -15.157 -7.764 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.450 -14.823 -5.873 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.688 -15.604 -7.262 1.00 0.00 H new ATOM 212 N ALA A 24 -7.828 -10.542 -0.916 1.00 0.00 N ATOM 213 CA ALA A 24 -7.769 -9.063 -0.993 1.00 0.00 C ATOM 214 C ALA A 24 -6.314 -8.615 -1.181 1.00 0.00 C ATOM 215 O ALA A 24 -6.044 -7.494 -1.564 1.00 0.00 O ATOM 216 CB ALA A 24 -8.321 -8.464 0.304 1.00 0.00 C ATOM 0 H ALA A 24 -8.235 -10.916 -0.058 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.366 -8.720 -1.838 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.278 -7.376 0.249 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.355 -8.780 0.440 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.723 -8.809 1.147 1.00 0.00 H new ATOM 222 N LEU A 25 -5.371 -9.482 -0.905 1.00 0.00 N ATOM 223 CA LEU A 25 -3.943 -9.116 -1.052 1.00 0.00 C ATOM 224 C LEU A 25 -3.576 -9.073 -2.545 1.00 0.00 C ATOM 225 O LEU A 25 -2.889 -8.180 -2.997 1.00 0.00 O ATOM 226 CB LEU A 25 -3.110 -10.164 -0.291 1.00 0.00 C ATOM 227 CG LEU A 25 -1.699 -10.270 -0.862 1.00 0.00 C ATOM 228 CD1 LEU A 25 -1.762 -11.116 -2.130 1.00 0.00 C ATOM 229 CD2 LEU A 25 -1.146 -8.878 -1.183 1.00 0.00 C ATOM 0 H LEU A 25 -5.539 -10.435 -0.582 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.741 -8.128 -0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.059 -9.895 0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.602 -11.135 -0.349 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.036 -10.734 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.763 -11.206 -2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.144 -12.108 -1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.424 -10.639 -2.853 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.139 -8.971 -1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.789 -8.391 -1.916 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.116 -8.280 -0.272 1.00 0.00 H new ATOM 241 N GLN A 26 -4.034 -10.026 -3.315 1.00 0.00 N ATOM 242 CA GLN A 26 -3.716 -10.030 -4.779 1.00 0.00 C ATOM 243 C GLN A 26 -4.312 -8.770 -5.427 1.00 0.00 C ATOM 244 O GLN A 26 -3.989 -8.418 -6.544 1.00 0.00 O ATOM 245 CB GLN A 26 -4.339 -11.288 -5.442 1.00 0.00 C ATOM 246 CG GLN A 26 -3.455 -12.539 -5.249 1.00 0.00 C ATOM 247 CD GLN A 26 -3.796 -13.577 -6.328 1.00 0.00 C ATOM 248 OE1 GLN A 26 -4.855 -13.416 -7.084 1.00 0.00 O flip ATOM 249 NE2 GLN A 26 -3.090 -14.552 -6.486 1.00 0.00 N flip ATOM 0 H GLN A 26 -4.614 -10.802 -2.996 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.635 -10.043 -4.918 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.326 -11.472 -5.016 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.481 -11.104 -6.507 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.401 -12.266 -5.311 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.617 -12.962 -4.258 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.264 -14.684 -5.902 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -3.322 -15.239 -7.203 1.00 0.00 H new ATOM 258 N PHE A 27 -5.180 -8.098 -4.727 1.00 0.00 N ATOM 259 CA PHE A 27 -5.819 -6.857 -5.272 1.00 0.00 C ATOM 260 C PHE A 27 -4.821 -5.709 -5.255 1.00 0.00 C ATOM 261 O PHE A 27 -4.724 -4.928 -6.181 1.00 0.00 O ATOM 262 CB PHE A 27 -6.990 -6.474 -4.386 1.00 0.00 C ATOM 263 CG PHE A 27 -8.137 -5.935 -5.211 1.00 0.00 C ATOM 264 CD1 PHE A 27 -7.893 -4.986 -6.213 1.00 0.00 C ATOM 265 CD2 PHE A 27 -9.452 -6.347 -4.945 1.00 0.00 C ATOM 266 CE1 PHE A 27 -8.959 -4.447 -6.937 1.00 0.00 C ATOM 267 CE2 PHE A 27 -10.516 -5.814 -5.684 1.00 0.00 C ATOM 268 CZ PHE A 27 -10.264 -4.861 -6.675 1.00 0.00 C ATOM 0 H PHE A 27 -5.482 -8.355 -3.787 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.150 -7.047 -6.293 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.322 -7.344 -3.819 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.673 -5.723 -3.662 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.882 -4.672 -6.425 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -9.644 -7.075 -4.171 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.772 -3.708 -7.702 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -11.527 -6.138 -5.489 1.00 0.00 H new ATOM 0 HZ PHE A 27 -11.084 -4.444 -7.240 1.00 0.00 H new ATOM 278 N ALA A 28 -4.101 -5.590 -4.185 1.00 0.00 N ATOM 279 CA ALA A 28 -3.119 -4.475 -4.052 1.00 0.00 C ATOM 280 C ALA A 28 -1.937 -4.669 -5.013 1.00 0.00 C ATOM 281 O ALA A 28 -1.380 -3.714 -5.518 1.00 0.00 O ATOM 282 CB ALA A 28 -2.608 -4.436 -2.612 1.00 0.00 C ATOM 0 H ALA A 28 -4.146 -6.221 -3.385 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.612 -3.536 -4.303 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.889 -3.624 -2.503 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.445 -4.273 -1.933 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.125 -5.383 -2.372 1.00 0.00 H new ATOM 288 N MET A 29 -1.537 -5.885 -5.259 1.00 0.00 N ATOM 289 CA MET A 29 -0.380 -6.116 -6.176 1.00 0.00 C ATOM 290 C MET A 29 -0.711 -5.619 -7.587 1.00 0.00 C ATOM 291 O MET A 29 0.170 -5.338 -8.376 1.00 0.00 O ATOM 292 CB MET A 29 -0.064 -7.610 -6.230 1.00 0.00 C ATOM 293 CG MET A 29 0.985 -7.949 -5.170 1.00 0.00 C ATOM 294 SD MET A 29 2.640 -7.648 -5.839 1.00 0.00 S ATOM 295 CE MET A 29 3.177 -6.460 -4.586 1.00 0.00 C ATOM 0 H MET A 29 -1.958 -6.728 -4.868 1.00 0.00 H new ATOM 0 HA MET A 29 0.483 -5.567 -5.799 1.00 0.00 H new ATOM 0 HB2 MET A 29 -0.970 -8.191 -6.058 1.00 0.00 H new ATOM 0 HB3 MET A 29 0.304 -7.879 -7.220 1.00 0.00 H new ATOM 0 HG2 MET A 29 0.826 -7.342 -4.279 1.00 0.00 H new ATOM 0 HG3 MET A 29 0.888 -8.992 -4.867 1.00 0.00 H new ATOM 0 HE1 MET A 29 4.193 -6.134 -4.806 1.00 0.00 H new ATOM 0 HE2 MET A 29 2.510 -5.598 -4.592 1.00 0.00 H new ATOM 0 HE3 MET A 29 3.152 -6.931 -3.603 1.00 0.00 H new ATOM 305 N ALA A 30 -1.967 -5.515 -7.920 1.00 0.00 N ATOM 306 CA ALA A 30 -2.335 -5.045 -9.287 1.00 0.00 C ATOM 307 C ALA A 30 -2.179 -3.524 -9.379 1.00 0.00 C ATOM 308 O ALA A 30 -1.493 -3.012 -10.240 1.00 0.00 O ATOM 309 CB ALA A 30 -3.788 -5.426 -9.580 1.00 0.00 C ATOM 0 H ALA A 30 -2.753 -5.734 -7.308 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.676 -5.516 -10.016 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.060 -5.084 -10.579 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.898 -6.509 -9.525 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.442 -4.957 -8.845 1.00 0.00 H new ATOM 315 N GLU A 31 -2.818 -2.799 -8.503 1.00 0.00 N ATOM 316 CA GLU A 31 -2.719 -1.310 -8.542 1.00 0.00 C ATOM 317 C GLU A 31 -1.258 -0.874 -8.410 1.00 0.00 C ATOM 318 O GLU A 31 -0.801 0.010 -9.107 1.00 0.00 O ATOM 319 CB GLU A 31 -3.536 -0.728 -7.387 1.00 0.00 C ATOM 320 CG GLU A 31 -4.857 -1.489 -7.273 1.00 0.00 C ATOM 321 CD GLU A 31 -5.983 -0.516 -6.919 1.00 0.00 C ATOM 322 OE1 GLU A 31 -5.717 0.426 -6.191 1.00 0.00 O ATOM 323 OE2 GLU A 31 -7.093 -0.730 -7.380 1.00 0.00 O ATOM 0 H GLU A 31 -3.407 -3.173 -7.759 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.107 -0.946 -9.493 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.976 -0.805 -6.455 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.726 0.332 -7.558 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.080 -1.992 -8.214 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.778 -2.262 -6.509 1.00 0.00 H new ATOM 330 N TYR A 32 -0.522 -1.482 -7.523 1.00 0.00 N ATOM 331 CA TYR A 32 0.921 -1.087 -7.357 1.00 0.00 C ATOM 332 C TYR A 32 1.689 -1.402 -8.637 1.00 0.00 C ATOM 333 O TYR A 32 2.658 -0.756 -8.974 1.00 0.00 O ATOM 334 CB TYR A 32 1.561 -1.866 -6.209 1.00 0.00 C ATOM 335 CG TYR A 32 2.895 -1.234 -5.864 1.00 0.00 C ATOM 336 CD1 TYR A 32 2.958 0.111 -5.466 1.00 0.00 C ATOM 337 CD2 TYR A 32 4.075 -1.989 -5.944 1.00 0.00 C ATOM 338 CE1 TYR A 32 4.189 0.692 -5.148 1.00 0.00 C ATOM 339 CE2 TYR A 32 5.306 -1.405 -5.625 1.00 0.00 C ATOM 340 CZ TYR A 32 5.363 -0.066 -5.226 1.00 0.00 C ATOM 341 OH TYR A 32 6.577 0.509 -4.911 1.00 0.00 O ATOM 0 H TYR A 32 -0.845 -2.229 -6.908 1.00 0.00 H new ATOM 0 HA TYR A 32 0.961 -0.019 -7.141 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.905 -1.859 -5.338 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.701 -2.909 -6.494 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.053 0.698 -5.405 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.033 -3.023 -6.252 1.00 0.00 H new ATOM 0 HE1 TYR A 32 4.234 1.727 -4.842 1.00 0.00 H new ATOM 0 HE2 TYR A 32 6.213 -1.989 -5.687 1.00 0.00 H new ATOM 0 HH TYR A 32 7.290 -0.155 -5.017 1.00 0.00 H new ATOM 351 N ASN A 33 1.264 -2.410 -9.337 1.00 0.00 N ATOM 352 CA ASN A 33 1.987 -2.793 -10.616 1.00 0.00 C ATOM 353 C ASN A 33 1.832 -1.671 -11.657 1.00 0.00 C ATOM 354 O ASN A 33 2.544 -1.632 -12.639 1.00 0.00 O ATOM 355 CB ASN A 33 1.489 -4.139 -11.227 1.00 0.00 C ATOM 356 CG ASN A 33 1.960 -4.248 -12.689 1.00 0.00 C ATOM 357 OD1 ASN A 33 1.403 -3.512 -13.619 1.00 0.00 O flip ATOM 358 ND2 ASN A 33 2.853 -5.017 -12.987 1.00 0.00 N flip ATOM 0 H ASN A 33 0.460 -2.990 -9.099 1.00 0.00 H new ATOM 0 HA ASN A 33 3.035 -2.932 -10.352 1.00 0.00 H new ATOM 0 HB2 ASN A 33 1.874 -4.978 -10.647 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.401 -4.191 -11.180 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.291 -5.593 -12.268 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.164 -5.086 -13.956 1.00 0.00 H new ATOM 365 N ARG A 34 0.927 -0.750 -11.454 1.00 0.00 N ATOM 366 CA ARG A 34 0.773 0.358 -12.451 1.00 0.00 C ATOM 367 C ARG A 34 1.920 1.354 -12.267 1.00 0.00 C ATOM 368 O ARG A 34 2.159 2.210 -13.095 1.00 0.00 O ATOM 369 CB ARG A 34 -0.581 1.065 -12.279 1.00 0.00 C ATOM 370 CG ARG A 34 -0.905 1.847 -13.554 1.00 0.00 C ATOM 371 CD ARG A 34 -1.867 2.992 -13.226 1.00 0.00 C ATOM 372 NE ARG A 34 -1.346 4.261 -13.812 1.00 0.00 N ATOM 373 CZ ARG A 34 -1.365 4.439 -15.105 1.00 0.00 C ATOM 374 NH1 ARG A 34 -0.350 4.054 -15.830 1.00 0.00 N ATOM 375 NH2 ARG A 34 -2.396 5.002 -15.672 1.00 0.00 N ATOM 0 H ARG A 34 0.295 -0.713 -10.654 1.00 0.00 H new ATOM 0 HA ARG A 34 0.805 -0.059 -13.458 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.364 0.334 -12.078 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -0.547 1.739 -11.423 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.011 2.243 -13.992 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.352 1.184 -14.295 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.858 2.774 -13.625 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.973 3.094 -12.146 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.975 4.990 -13.202 1.00 0.00 H new ATOM 0 HH11 ARG A 34 0.456 3.615 -15.386 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.363 4.192 -16.840 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.188 5.304 -15.105 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.410 5.141 -16.682 1.00 0.00 H new ATOM 389 N ALA A 35 2.629 1.239 -11.180 1.00 0.00 N ATOM 390 CA ALA A 35 3.771 2.160 -10.913 1.00 0.00 C ATOM 391 C ALA A 35 5.022 1.677 -11.662 1.00 0.00 C ATOM 392 O ALA A 35 5.995 2.394 -11.778 1.00 0.00 O ATOM 393 CB ALA A 35 4.058 2.182 -9.411 1.00 0.00 C ATOM 0 H ALA A 35 2.465 0.539 -10.456 1.00 0.00 H new ATOM 0 HA ALA A 35 3.513 3.162 -11.257 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.892 2.854 -9.210 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.174 2.531 -8.877 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.312 1.177 -9.074 1.00 0.00 H new ATOM 399 N SER A 36 5.018 0.461 -12.165 1.00 0.00 N ATOM 400 CA SER A 36 6.221 -0.049 -12.893 1.00 0.00 C ATOM 401 C SER A 36 6.325 0.608 -14.269 1.00 0.00 C ATOM 402 O SER A 36 7.235 0.339 -15.028 1.00 0.00 O ATOM 403 CB SER A 36 6.153 -1.580 -13.018 1.00 0.00 C ATOM 404 OG SER A 36 4.797 -1.997 -13.009 1.00 0.00 O ATOM 0 H SER A 36 4.238 -0.193 -12.102 1.00 0.00 H new ATOM 0 HA SER A 36 7.115 0.209 -12.326 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.637 -1.902 -13.940 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.693 -2.047 -12.194 1.00 0.00 H new ATOM 0 HG SER A 36 4.228 -1.267 -13.330 1.00 0.00 H new ATOM 410 N ASN A 37 5.416 1.482 -14.590 1.00 0.00 N ATOM 411 CA ASN A 37 5.491 2.172 -15.922 1.00 0.00 C ATOM 412 C ASN A 37 5.799 3.657 -15.704 1.00 0.00 C ATOM 413 O ASN A 37 5.769 4.452 -16.621 1.00 0.00 O ATOM 414 CB ASN A 37 4.182 2.019 -16.716 1.00 0.00 C ATOM 415 CG ASN A 37 4.486 2.076 -18.217 1.00 0.00 C ATOM 416 OD1 ASN A 37 5.612 2.593 -18.630 1.00 0.00 O flip ATOM 417 ND2 ASN A 37 3.687 1.643 -19.025 1.00 0.00 N flip ATOM 0 H ASN A 37 4.629 1.752 -14.000 1.00 0.00 H new ATOM 0 HA ASN A 37 6.286 1.706 -16.505 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.701 1.073 -16.467 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.485 2.812 -16.445 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.807 1.239 -18.705 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.897 1.684 -20.022 1.00 0.00 H new ATOM 424 N ASP A 38 6.101 4.031 -14.489 1.00 0.00 N ATOM 425 CA ASP A 38 6.421 5.441 -14.187 1.00 0.00 C ATOM 426 C ASP A 38 7.741 5.829 -14.846 1.00 0.00 C ATOM 427 O ASP A 38 8.226 5.163 -15.740 1.00 0.00 O ATOM 428 CB ASP A 38 6.548 5.572 -12.674 1.00 0.00 C ATOM 429 CG ASP A 38 7.836 4.893 -12.203 1.00 0.00 C ATOM 430 OD1 ASP A 38 8.247 3.939 -12.844 1.00 0.00 O ATOM 431 OD2 ASP A 38 8.388 5.337 -11.210 1.00 0.00 O ATOM 0 H ASP A 38 6.138 3.403 -13.686 1.00 0.00 H new ATOM 0 HA ASP A 38 5.639 6.098 -14.568 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.556 6.624 -12.390 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.686 5.116 -12.186 1.00 0.00 H new ATOM 436 N LYS A 39 8.324 6.898 -14.398 1.00 0.00 N ATOM 437 CA LYS A 39 9.626 7.347 -14.971 1.00 0.00 C ATOM 438 C LYS A 39 10.612 7.498 -13.810 1.00 0.00 C ATOM 439 O LYS A 39 11.425 8.400 -13.782 1.00 0.00 O ATOM 440 CB LYS A 39 9.443 8.696 -15.677 1.00 0.00 C ATOM 441 CG LYS A 39 8.664 9.660 -14.776 1.00 0.00 C ATOM 442 CD LYS A 39 7.412 10.147 -15.509 1.00 0.00 C ATOM 443 CE LYS A 39 6.336 9.060 -15.465 1.00 0.00 C ATOM 444 NZ LYS A 39 5.498 9.242 -14.248 1.00 0.00 N ATOM 0 H LYS A 39 7.955 7.489 -13.653 1.00 0.00 H new ATOM 0 HA LYS A 39 9.997 6.625 -15.698 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.416 9.122 -15.923 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.910 8.554 -16.617 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.384 9.161 -13.848 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.292 10.508 -14.505 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.039 11.061 -15.046 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.655 10.390 -16.543 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.714 9.112 -16.359 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.800 8.074 -15.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.766 8.504 -14.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.097 9.172 -13.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.045 10.178 -14.275 1.00 0.00 H new ATOM 458 N TYR A 40 10.509 6.635 -12.827 1.00 0.00 N ATOM 459 CA TYR A 40 11.381 6.728 -11.639 1.00 0.00 C ATOM 460 C TYR A 40 11.271 5.391 -10.895 1.00 0.00 C ATOM 461 O TYR A 40 10.860 4.401 -11.469 1.00 0.00 O ATOM 462 CB TYR A 40 10.827 7.872 -10.766 1.00 0.00 C ATOM 463 CG TYR A 40 11.091 9.271 -11.401 1.00 0.00 C ATOM 464 CD1 TYR A 40 12.405 9.804 -11.478 1.00 0.00 C ATOM 465 CD2 TYR A 40 10.023 10.055 -11.915 1.00 0.00 C ATOM 466 CE1 TYR A 40 12.631 11.061 -12.050 1.00 0.00 C ATOM 467 CE2 TYR A 40 10.272 11.311 -12.480 1.00 0.00 C ATOM 468 CZ TYR A 40 11.569 11.811 -12.550 1.00 0.00 C ATOM 469 OH TYR A 40 11.802 13.051 -13.111 1.00 0.00 O ATOM 0 H TYR A 40 9.844 5.862 -12.808 1.00 0.00 H new ATOM 0 HA TYR A 40 12.423 6.925 -11.891 1.00 0.00 H new ATOM 0 HB2 TYR A 40 9.755 7.734 -10.625 1.00 0.00 H new ATOM 0 HB3 TYR A 40 11.286 7.830 -9.778 1.00 0.00 H new ATOM 0 HD1 TYR A 40 13.237 9.234 -11.092 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.012 9.679 -11.869 1.00 0.00 H new ATOM 0 HE1 TYR A 40 13.636 11.452 -12.104 1.00 0.00 H new ATOM 0 HE2 TYR A 40 9.451 11.897 -12.865 1.00 0.00 H new ATOM 0 HH TYR A 40 10.954 13.439 -13.411 1.00 0.00 H new ATOM 479 N SER A 41 11.610 5.329 -9.632 1.00 0.00 N ATOM 480 CA SER A 41 11.472 3.997 -8.930 1.00 0.00 C ATOM 481 C SER A 41 10.656 4.163 -7.639 1.00 0.00 C ATOM 482 O SER A 41 10.759 5.154 -6.956 1.00 0.00 O ATOM 483 CB SER A 41 12.864 3.391 -8.624 1.00 0.00 C ATOM 484 OG SER A 41 13.760 4.427 -8.255 1.00 0.00 O ATOM 0 H SER A 41 11.963 6.102 -9.068 1.00 0.00 H new ATOM 0 HA SER A 41 10.944 3.309 -9.590 1.00 0.00 H new ATOM 0 HB2 SER A 41 12.785 2.660 -7.819 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.243 2.863 -9.499 1.00 0.00 H new ATOM 0 HG SER A 41 13.951 4.988 -9.036 1.00 0.00 H new ATOM 490 N SER A 42 9.834 3.201 -7.300 1.00 0.00 N ATOM 491 CA SER A 42 9.021 3.330 -6.047 1.00 0.00 C ATOM 492 C SER A 42 9.516 2.289 -5.025 1.00 0.00 C ATOM 493 O SER A 42 9.766 1.157 -5.385 1.00 0.00 O ATOM 494 CB SER A 42 7.536 3.068 -6.360 1.00 0.00 C ATOM 495 OG SER A 42 7.108 3.950 -7.385 1.00 0.00 O ATOM 0 H SER A 42 9.690 2.341 -7.828 1.00 0.00 H new ATOM 0 HA SER A 42 9.130 4.336 -5.642 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.396 2.033 -6.673 1.00 0.00 H new ATOM 0 HB3 SER A 42 6.933 3.214 -5.464 1.00 0.00 H new ATOM 0 HG SER A 42 6.164 3.783 -7.587 1.00 0.00 H new ATOM 501 N ARG A 43 9.654 2.624 -3.756 1.00 0.00 N ATOM 502 CA ARG A 43 10.124 1.577 -2.791 1.00 0.00 C ATOM 503 C ARG A 43 9.550 1.855 -1.404 1.00 0.00 C ATOM 504 O ARG A 43 9.346 2.988 -1.017 1.00 0.00 O ATOM 505 CB ARG A 43 11.664 1.539 -2.708 1.00 0.00 C ATOM 506 CG ARG A 43 12.286 2.381 -3.825 1.00 0.00 C ATOM 507 CD ARG A 43 12.281 1.581 -5.128 1.00 0.00 C ATOM 508 NE ARG A 43 13.683 1.304 -5.551 1.00 0.00 N ATOM 509 CZ ARG A 43 13.924 0.864 -6.755 1.00 0.00 C ATOM 510 NH1 ARG A 43 13.126 -0.014 -7.299 1.00 0.00 N ATOM 511 NH2 ARG A 43 14.959 1.304 -7.416 1.00 0.00 N ATOM 0 H ARG A 43 9.468 3.546 -3.360 1.00 0.00 H new ATOM 0 HA ARG A 43 9.775 0.609 -3.151 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.990 1.914 -1.738 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.012 0.509 -2.785 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.726 3.307 -3.952 1.00 0.00 H new ATOM 0 HG3 ARG A 43 13.306 2.659 -3.560 1.00 0.00 H new ATOM 0 HD2 ARG A 43 11.741 0.645 -4.989 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.759 2.138 -5.906 1.00 0.00 H new ATOM 0 HE ARG A 43 14.453 1.458 -4.900 1.00 0.00 H new ATOM 0 HH11 ARG A 43 12.315 -0.355 -6.783 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.313 -0.359 -8.240 1.00 0.00 H new ATOM 0 HH21 ARG A 43 15.580 1.992 -6.991 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.147 0.960 -8.357 1.00 0.00 H new ATOM 525 N VAL A 44 9.290 0.822 -0.652 1.00 0.00 N ATOM 526 CA VAL A 44 8.729 1.008 0.715 1.00 0.00 C ATOM 527 C VAL A 44 9.869 0.947 1.734 1.00 0.00 C ATOM 528 O VAL A 44 10.826 0.216 1.568 1.00 0.00 O ATOM 529 CB VAL A 44 7.704 -0.109 1.000 1.00 0.00 C ATOM 530 CG1 VAL A 44 8.432 -1.403 1.387 1.00 0.00 C ATOM 531 CG2 VAL A 44 6.787 0.318 2.148 1.00 0.00 C ATOM 0 H VAL A 44 9.443 -0.148 -0.927 1.00 0.00 H new ATOM 0 HA VAL A 44 8.232 1.975 0.788 1.00 0.00 H new ATOM 0 HB VAL A 44 7.111 -0.284 0.102 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.701 -2.186 1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.082 -1.713 0.569 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.031 -1.230 2.281 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.063 -0.472 2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.384 0.499 3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.260 1.231 1.872 1.00 0.00 H new ATOM 541 N VAL A 45 9.775 1.708 2.786 1.00 0.00 N ATOM 542 CA VAL A 45 10.852 1.692 3.812 1.00 0.00 C ATOM 543 C VAL A 45 10.411 0.815 4.987 1.00 0.00 C ATOM 544 O VAL A 45 11.127 -0.064 5.425 1.00 0.00 O ATOM 545 CB VAL A 45 11.100 3.116 4.306 1.00 0.00 C ATOM 546 CG1 VAL A 45 12.488 3.203 4.942 1.00 0.00 C ATOM 547 CG2 VAL A 45 11.018 4.079 3.123 1.00 0.00 C ATOM 0 H VAL A 45 8.999 2.341 2.980 1.00 0.00 H new ATOM 0 HA VAL A 45 11.769 1.292 3.379 1.00 0.00 H new ATOM 0 HB VAL A 45 10.347 3.383 5.048 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.664 4.219 5.294 1.00 0.00 H new ATOM 0 HG12 VAL A 45 12.547 2.512 5.783 1.00 0.00 H new ATOM 0 HG13 VAL A 45 13.244 2.939 4.203 1.00 0.00 H new ATOM 0 HG21 VAL A 45 11.194 5.097 3.470 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.773 3.812 2.383 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.028 4.016 2.671 1.00 0.00 H new ATOM 557 N ARG A 46 9.231 1.052 5.498 1.00 0.00 N ATOM 558 CA ARG A 46 8.728 0.241 6.644 1.00 0.00 C ATOM 559 C ARG A 46 7.210 0.415 6.763 1.00 0.00 C ATOM 560 O ARG A 46 6.594 1.109 5.978 1.00 0.00 O ATOM 561 CB ARG A 46 9.399 0.715 7.935 1.00 0.00 C ATOM 562 CG ARG A 46 10.437 -0.319 8.379 1.00 0.00 C ATOM 563 CD ARG A 46 9.723 -1.556 8.929 1.00 0.00 C ATOM 564 NE ARG A 46 9.200 -1.266 10.294 1.00 0.00 N ATOM 565 CZ ARG A 46 9.641 -1.944 11.319 1.00 0.00 C ATOM 566 NH1 ARG A 46 10.925 -2.044 11.534 1.00 0.00 N ATOM 567 NH2 ARG A 46 8.797 -2.524 12.130 1.00 0.00 N ATOM 0 H ARG A 46 8.592 1.776 5.169 1.00 0.00 H new ATOM 0 HA ARG A 46 8.961 -0.811 6.478 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.878 1.681 7.775 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.652 0.855 8.716 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.072 -0.597 7.538 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.088 0.108 9.142 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.904 -1.840 8.268 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.412 -2.400 8.964 1.00 0.00 H new ATOM 0 HE ARG A 46 8.498 -0.538 10.427 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.585 -1.592 10.901 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.268 -2.574 12.335 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.794 -2.447 11.962 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.141 -3.054 12.931 1.00 0.00 H new ATOM 581 N VAL A 47 6.605 -0.208 7.735 1.00 0.00 N ATOM 582 CA VAL A 47 5.125 -0.078 7.905 1.00 0.00 C ATOM 583 C VAL A 47 4.833 0.533 9.278 1.00 0.00 C ATOM 584 O VAL A 47 5.536 0.285 10.239 1.00 0.00 O ATOM 585 CB VAL A 47 4.476 -1.471 7.784 1.00 0.00 C ATOM 586 CG1 VAL A 47 3.134 -1.498 8.525 1.00 0.00 C ATOM 587 CG2 VAL A 47 4.237 -1.788 6.305 1.00 0.00 C ATOM 0 H VAL A 47 7.069 -0.803 8.421 1.00 0.00 H new ATOM 0 HA VAL A 47 4.711 0.570 7.133 1.00 0.00 H new ATOM 0 HB VAL A 47 5.142 -2.212 8.225 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.687 -2.488 8.431 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.296 -1.271 9.579 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.464 -0.755 8.092 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.778 -2.772 6.213 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.574 -1.037 5.874 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.188 -1.780 5.773 1.00 0.00 H new ATOM 597 N ILE A 48 3.801 1.331 9.387 1.00 0.00 N ATOM 598 CA ILE A 48 3.483 1.945 10.704 1.00 0.00 C ATOM 599 C ILE A 48 2.618 0.976 11.509 1.00 0.00 C ATOM 600 O ILE A 48 2.777 0.840 12.705 1.00 0.00 O ATOM 601 CB ILE A 48 2.732 3.260 10.484 1.00 0.00 C ATOM 602 CG1 ILE A 48 3.723 4.337 10.033 1.00 0.00 C ATOM 603 CG2 ILE A 48 2.066 3.700 11.790 1.00 0.00 C ATOM 604 CD1 ILE A 48 2.997 5.677 9.906 1.00 0.00 C ATOM 0 H ILE A 48 3.171 1.580 8.625 1.00 0.00 H new ATOM 0 HA ILE A 48 4.403 2.150 11.252 1.00 0.00 H new ATOM 0 HB ILE A 48 1.968 3.117 9.720 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.538 4.420 10.752 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.167 4.060 9.077 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.532 4.637 11.629 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.363 2.933 12.116 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.828 3.844 12.556 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.702 6.444 9.585 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.197 5.589 9.171 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.574 5.954 10.871 1.00 0.00 H new ATOM 616 N SER A 49 1.719 0.293 10.851 1.00 0.00 N ATOM 617 CA SER A 49 0.834 -0.695 11.551 1.00 0.00 C ATOM 618 C SER A 49 -0.308 -1.089 10.617 1.00 0.00 C ATOM 619 O SER A 49 -0.446 -0.561 9.530 1.00 0.00 O ATOM 620 CB SER A 49 0.237 -0.099 12.842 1.00 0.00 C ATOM 621 OG SER A 49 -0.465 -1.117 13.542 1.00 0.00 O ATOM 0 H SER A 49 1.556 0.376 9.848 1.00 0.00 H new ATOM 0 HA SER A 49 1.436 -1.564 11.817 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.029 0.311 13.469 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.436 0.724 12.600 1.00 0.00 H new ATOM 0 HG SER A 49 -0.846 -0.745 14.365 1.00 0.00 H new ATOM 627 N ALA A 50 -1.132 -2.010 11.031 1.00 0.00 N ATOM 628 CA ALA A 50 -2.270 -2.436 10.171 1.00 0.00 C ATOM 629 C ALA A 50 -3.543 -2.493 11.017 1.00 0.00 C ATOM 630 O ALA A 50 -3.626 -3.230 11.979 1.00 0.00 O ATOM 631 CB ALA A 50 -1.979 -3.820 9.586 1.00 0.00 C ATOM 0 H ALA A 50 -1.066 -2.487 11.930 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.403 -1.723 9.357 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.812 -4.131 8.956 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.069 -3.778 8.988 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.848 -4.537 10.396 1.00 0.00 H new ATOM 637 N LYS A 51 -4.535 -1.721 10.669 1.00 0.00 N ATOM 638 CA LYS A 51 -5.800 -1.738 11.466 1.00 0.00 C ATOM 639 C LYS A 51 -6.986 -1.988 10.535 1.00 0.00 C ATOM 640 O LYS A 51 -6.949 -1.670 9.362 1.00 0.00 O ATOM 641 CB LYS A 51 -5.986 -0.397 12.184 1.00 0.00 C ATOM 642 CG LYS A 51 -4.772 -0.122 13.074 1.00 0.00 C ATOM 643 CD LYS A 51 -3.710 0.634 12.272 1.00 0.00 C ATOM 644 CE LYS A 51 -4.032 2.130 12.282 1.00 0.00 C ATOM 645 NZ LYS A 51 -3.670 2.709 13.607 1.00 0.00 N ATOM 0 H LYS A 51 -4.528 -1.082 9.874 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.743 -2.534 12.208 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.105 0.405 11.455 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.894 -0.418 12.786 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.071 0.463 13.944 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.361 -1.060 13.447 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.723 0.461 12.701 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.681 0.264 11.247 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.481 2.636 11.489 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.092 2.286 12.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.579 3.741 13.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.413 2.483 14.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.765 2.307 13.926 1.00 0.00 H new ATOM 659 N ARG A 52 -8.042 -2.554 11.052 1.00 0.00 N ATOM 660 CA ARG A 52 -9.235 -2.825 10.204 1.00 0.00 C ATOM 661 C ARG A 52 -10.474 -2.218 10.852 1.00 0.00 C ATOM 662 O ARG A 52 -10.667 -2.277 12.052 1.00 0.00 O ATOM 663 CB ARG A 52 -9.439 -4.343 10.055 1.00 0.00 C ATOM 664 CG ARG A 52 -9.595 -4.979 11.440 1.00 0.00 C ATOM 665 CD ARG A 52 -10.665 -6.072 11.379 1.00 0.00 C ATOM 666 NE ARG A 52 -10.435 -7.058 12.473 1.00 0.00 N ATOM 667 CZ ARG A 52 -11.445 -7.518 13.162 1.00 0.00 C ATOM 668 NH1 ARG A 52 -12.545 -7.869 12.553 1.00 0.00 N ATOM 669 NH2 ARG A 52 -11.356 -7.626 14.458 1.00 0.00 N ATOM 0 H ARG A 52 -8.129 -2.841 12.027 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.077 -2.381 9.221 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.323 -4.544 9.450 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.589 -4.785 9.534 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.645 -5.402 11.767 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -9.875 -4.221 12.171 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.657 -5.630 11.476 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.633 -6.573 10.411 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.488 -7.374 12.684 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.616 -7.784 11.539 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.334 -8.228 13.091 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.497 -7.351 14.935 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.145 -7.985 14.995 1.00 0.00 H new ATOM 683 N GLN A 53 -11.317 -1.648 10.051 1.00 0.00 N ATOM 684 CA GLN A 53 -12.569 -1.036 10.574 1.00 0.00 C ATOM 685 C GLN A 53 -13.758 -1.798 9.990 1.00 0.00 C ATOM 686 O GLN A 53 -13.609 -2.575 9.066 1.00 0.00 O ATOM 687 CB GLN A 53 -12.639 0.434 10.154 1.00 0.00 C ATOM 688 CG GLN A 53 -11.233 1.036 10.174 1.00 0.00 C ATOM 689 CD GLN A 53 -11.310 2.528 9.841 1.00 0.00 C ATOM 690 OE1 GLN A 53 -10.950 2.940 8.757 1.00 0.00 O ATOM 691 NE2 GLN A 53 -11.768 3.361 10.737 1.00 0.00 N ATOM 0 H GLN A 53 -11.195 -1.577 9.041 1.00 0.00 H new ATOM 0 HA GLN A 53 -12.588 -1.091 11.662 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -13.068 0.518 9.156 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -13.292 0.986 10.830 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.780 0.895 11.155 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.597 0.524 9.452 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.070 3.015 11.648 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.823 4.357 10.526 1.00 0.00 H new ATOM 700 N LEU A 54 -14.933 -1.598 10.516 1.00 0.00 N ATOM 701 CA LEU A 54 -16.107 -2.337 9.974 1.00 0.00 C ATOM 702 C LEU A 54 -17.186 -1.342 9.504 1.00 0.00 C ATOM 703 O LEU A 54 -17.418 -0.329 10.136 1.00 0.00 O ATOM 704 CB LEU A 54 -16.687 -3.229 11.073 1.00 0.00 C ATOM 705 CG LEU A 54 -17.402 -2.362 12.112 1.00 0.00 C ATOM 706 CD1 LEU A 54 -18.916 -2.514 11.947 1.00 0.00 C ATOM 707 CD2 LEU A 54 -16.992 -2.808 13.517 1.00 0.00 C ATOM 0 H LEU A 54 -15.131 -0.963 11.289 1.00 0.00 H new ATOM 0 HA LEU A 54 -15.790 -2.946 9.127 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -17.384 -3.948 10.642 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.891 -3.802 11.548 1.00 0.00 H new ATOM 0 HG LEU A 54 -17.125 -1.318 11.968 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -19.426 -1.897 12.687 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -19.207 -2.196 10.946 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -19.195 -3.558 12.091 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -17.501 -2.191 14.258 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -17.269 -3.852 13.663 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -15.914 -2.699 13.633 1.00 0.00 H new ATOM 719 N VAL A 55 -17.856 -1.616 8.405 1.00 0.00 N ATOM 720 CA VAL A 55 -18.910 -0.697 7.911 1.00 0.00 C ATOM 721 C VAL A 55 -19.715 -1.517 6.911 1.00 0.00 C ATOM 722 O VAL A 55 -19.596 -1.314 5.720 1.00 0.00 O ATOM 723 CB VAL A 55 -18.253 0.483 7.199 1.00 0.00 C ATOM 724 CG1 VAL A 55 -17.715 1.472 8.235 1.00 0.00 C ATOM 725 CG2 VAL A 55 -17.102 -0.036 6.339 1.00 0.00 C ATOM 0 H VAL A 55 -17.709 -2.447 7.832 1.00 0.00 H new ATOM 0 HA VAL A 55 -19.533 -0.305 8.715 1.00 0.00 H new ATOM 0 HB VAL A 55 -18.985 0.989 6.569 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -17.246 2.314 7.725 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -18.536 1.834 8.853 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -16.978 0.974 8.865 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -16.626 0.799 5.826 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -16.371 -0.537 6.974 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -17.487 -0.742 5.603 1.00 0.00 H new ATOM 735 N SER A 56 -20.462 -2.505 7.385 1.00 0.00 N ATOM 736 CA SER A 56 -21.202 -3.417 6.473 1.00 0.00 C ATOM 737 C SER A 56 -20.297 -4.632 6.283 1.00 0.00 C ATOM 738 O SER A 56 -20.672 -5.758 6.546 1.00 0.00 O ATOM 739 CB SER A 56 -21.465 -2.740 5.142 1.00 0.00 C ATOM 740 OG SER A 56 -22.603 -3.320 4.520 1.00 0.00 O ATOM 0 H SER A 56 -20.582 -2.708 8.378 1.00 0.00 H new ATOM 0 HA SER A 56 -22.172 -3.696 6.884 1.00 0.00 H new ATOM 0 HB2 SER A 56 -21.627 -1.673 5.293 1.00 0.00 H new ATOM 0 HB3 SER A 56 -20.594 -2.842 4.494 1.00 0.00 H new ATOM 0 HG SER A 56 -22.394 -4.238 4.247 1.00 0.00 H new ATOM 746 N GLY A 57 -19.083 -4.388 5.870 1.00 0.00 N ATOM 747 CA GLY A 57 -18.101 -5.475 5.701 1.00 0.00 C ATOM 748 C GLY A 57 -16.817 -5.076 6.434 1.00 0.00 C ATOM 749 O GLY A 57 -16.860 -4.299 7.373 1.00 0.00 O ATOM 0 H GLY A 57 -18.732 -3.458 5.640 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -18.494 -6.409 6.103 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -17.899 -5.644 4.643 1.00 0.00 H new ATOM 753 N ILE A 58 -15.665 -5.565 6.021 1.00 0.00 N ATOM 754 CA ILE A 58 -14.422 -5.152 6.731 1.00 0.00 C ATOM 755 C ILE A 58 -13.572 -4.281 5.804 1.00 0.00 C ATOM 756 O ILE A 58 -13.631 -4.393 4.596 1.00 0.00 O ATOM 757 CB ILE A 58 -13.607 -6.380 7.164 1.00 0.00 C ATOM 758 CG1 ILE A 58 -14.484 -7.637 7.136 1.00 0.00 C ATOM 759 CG2 ILE A 58 -13.082 -6.163 8.585 1.00 0.00 C ATOM 760 CD1 ILE A 58 -15.490 -7.582 8.287 1.00 0.00 C ATOM 0 H ILE A 58 -15.540 -6.214 5.244 1.00 0.00 H new ATOM 0 HA ILE A 58 -14.702 -4.588 7.621 1.00 0.00 H new ATOM 0 HB ILE A 58 -12.773 -6.513 6.474 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -15.009 -7.706 6.183 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -13.863 -8.529 7.224 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -12.503 -7.033 8.896 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -12.447 -5.277 8.607 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -13.922 -6.024 9.266 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -16.114 -8.475 8.268 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -14.955 -7.533 9.236 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -16.119 -6.698 8.179 1.00 0.00 H new ATOM 772 N LYS A 59 -12.779 -3.415 6.370 1.00 0.00 N ATOM 773 CA LYS A 59 -11.908 -2.532 5.537 1.00 0.00 C ATOM 774 C LYS A 59 -10.522 -2.482 6.176 1.00 0.00 C ATOM 775 O LYS A 59 -10.371 -2.095 7.311 1.00 0.00 O ATOM 776 CB LYS A 59 -12.506 -1.120 5.480 1.00 0.00 C ATOM 777 CG LYS A 59 -11.565 -0.195 4.703 1.00 0.00 C ATOM 778 CD LYS A 59 -12.358 0.999 4.169 1.00 0.00 C ATOM 779 CE LYS A 59 -12.305 2.142 5.185 1.00 0.00 C ATOM 780 NZ LYS A 59 -13.380 1.955 6.201 1.00 0.00 N ATOM 0 H LYS A 59 -12.695 -3.278 7.377 1.00 0.00 H new ATOM 0 HA LYS A 59 -11.838 -2.923 4.522 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.484 -1.147 5.000 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -12.657 -0.737 6.489 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.759 0.149 5.350 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.102 -0.737 3.878 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.944 1.327 3.215 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.393 0.709 3.985 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.330 2.165 5.672 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.431 3.099 4.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.939 2.828 6.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.999 1.172 5.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.952 1.735 7.123 1.00 0.00 H new ATOM 794 N TYR A 60 -9.504 -2.879 5.474 1.00 0.00 N ATOM 795 CA TYR A 60 -8.148 -2.853 6.090 1.00 0.00 C ATOM 796 C TYR A 60 -7.480 -1.511 5.810 1.00 0.00 C ATOM 797 O TYR A 60 -7.812 -0.828 4.865 1.00 0.00 O ATOM 798 CB TYR A 60 -7.298 -3.986 5.516 1.00 0.00 C ATOM 799 CG TYR A 60 -8.058 -5.287 5.619 1.00 0.00 C ATOM 800 CD1 TYR A 60 -8.573 -5.702 6.853 1.00 0.00 C ATOM 801 CD2 TYR A 60 -8.247 -6.080 4.481 1.00 0.00 C ATOM 802 CE1 TYR A 60 -9.277 -6.909 6.948 1.00 0.00 C ATOM 803 CE2 TYR A 60 -8.950 -7.286 4.577 1.00 0.00 C ATOM 804 CZ TYR A 60 -9.465 -7.702 5.810 1.00 0.00 C ATOM 805 OH TYR A 60 -10.158 -8.891 5.905 1.00 0.00 O ATOM 0 H TYR A 60 -9.546 -3.217 4.513 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.241 -2.987 7.168 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.051 -3.778 4.475 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.356 -4.059 6.059 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -8.427 -5.091 7.732 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.850 -5.761 3.529 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -9.675 -7.228 7.900 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.095 -7.897 3.698 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.199 -9.317 5.023 1.00 0.00 H new ATOM 815 N ILE A 61 -6.545 -1.124 6.634 1.00 0.00 N ATOM 816 CA ILE A 61 -5.863 0.183 6.416 1.00 0.00 C ATOM 817 C ILE A 61 -4.417 0.118 6.927 1.00 0.00 C ATOM 818 O ILE A 61 -4.164 -0.134 8.090 1.00 0.00 O ATOM 819 CB ILE A 61 -6.622 1.280 7.171 1.00 0.00 C ATOM 820 CG1 ILE A 61 -6.867 0.831 8.613 1.00 0.00 C ATOM 821 CG2 ILE A 61 -7.970 1.545 6.494 1.00 0.00 C ATOM 822 CD1 ILE A 61 -7.083 2.059 9.501 1.00 0.00 C ATOM 0 H ILE A 61 -6.225 -1.653 7.445 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.851 0.407 5.349 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.027 2.193 7.162 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.739 0.178 8.659 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.017 0.253 8.974 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -8.503 2.326 7.037 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.804 1.867 5.466 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.564 0.631 6.497 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.258 1.739 10.528 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.198 2.695 9.464 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.947 2.619 9.144 1.00 0.00 H new ATOM 834 N LEU A 62 -3.468 0.351 6.054 1.00 0.00 N ATOM 835 CA LEU A 62 -2.036 0.320 6.464 1.00 0.00 C ATOM 836 C LEU A 62 -1.403 1.688 6.183 1.00 0.00 C ATOM 837 O LEU A 62 -1.610 2.268 5.138 1.00 0.00 O ATOM 838 CB LEU A 62 -1.307 -0.777 5.667 1.00 0.00 C ATOM 839 CG LEU A 62 -1.233 -0.425 4.184 1.00 0.00 C ATOM 840 CD1 LEU A 62 0.068 -0.971 3.593 1.00 0.00 C ATOM 841 CD2 LEU A 62 -2.427 -1.071 3.480 1.00 0.00 C ATOM 0 H LEU A 62 -3.628 0.562 5.069 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.954 0.101 7.529 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.300 -0.909 6.063 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.826 -1.727 5.792 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.256 0.656 4.050 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.120 -0.719 2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.918 -0.529 4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.094 -2.054 3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.395 -0.833 2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.385 -2.152 3.611 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.353 -0.689 3.910 1.00 0.00 H new ATOM 853 N GLN A 63 -0.633 2.206 7.115 1.00 0.00 N ATOM 854 CA GLN A 63 0.017 3.538 6.911 1.00 0.00 C ATOM 855 C GLN A 63 1.510 3.297 6.699 1.00 0.00 C ATOM 856 O GLN A 63 2.241 3.024 7.627 1.00 0.00 O ATOM 857 CB GLN A 63 -0.193 4.423 8.157 1.00 0.00 C ATOM 858 CG GLN A 63 -1.232 3.790 9.090 1.00 0.00 C ATOM 859 CD GLN A 63 -1.635 4.799 10.170 1.00 0.00 C ATOM 860 OE1 GLN A 63 -0.707 5.421 10.842 1.00 0.00 O flip ATOM 861 NE2 GLN A 63 -2.807 5.021 10.403 1.00 0.00 N flip ATOM 0 H GLN A 63 -0.428 1.760 8.009 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.418 4.045 6.050 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.752 4.549 8.686 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.523 5.417 7.854 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.109 3.483 8.520 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.822 2.892 9.552 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.533 4.534 9.877 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.065 5.694 11.125 1.00 0.00 H new ATOM 870 N VAL A 64 1.956 3.339 5.479 1.00 0.00 N ATOM 871 CA VAL A 64 3.365 3.052 5.179 1.00 0.00 C ATOM 872 C VAL A 64 4.139 4.337 4.864 1.00 0.00 C ATOM 873 O VAL A 64 3.579 5.323 4.424 1.00 0.00 O ATOM 874 CB VAL A 64 3.357 2.165 3.931 1.00 0.00 C ATOM 875 CG1 VAL A 64 2.193 1.172 4.007 1.00 0.00 C ATOM 876 CG2 VAL A 64 3.186 3.050 2.688 1.00 0.00 C ATOM 0 H VAL A 64 1.384 3.566 4.665 1.00 0.00 H new ATOM 0 HA VAL A 64 3.846 2.576 6.034 1.00 0.00 H new ATOM 0 HB VAL A 64 4.296 1.615 3.871 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.192 0.543 3.116 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.306 0.546 4.893 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.252 1.719 4.066 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.179 2.425 1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.245 3.595 2.756 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.012 3.758 2.629 1.00 0.00 H new ATOM 886 N GLU A 65 5.430 4.301 5.020 1.00 0.00 N ATOM 887 CA GLU A 65 6.261 5.478 4.660 1.00 0.00 C ATOM 888 C GLU A 65 6.981 5.113 3.360 1.00 0.00 C ATOM 889 O GLU A 65 8.103 4.652 3.368 1.00 0.00 O ATOM 890 CB GLU A 65 7.283 5.754 5.764 1.00 0.00 C ATOM 891 CG GLU A 65 8.338 6.735 5.248 1.00 0.00 C ATOM 892 CD GLU A 65 8.540 7.854 6.273 1.00 0.00 C ATOM 893 OE1 GLU A 65 8.993 7.557 7.365 1.00 0.00 O ATOM 894 OE2 GLU A 65 8.243 8.991 5.944 1.00 0.00 O ATOM 0 H GLU A 65 5.948 3.501 5.384 1.00 0.00 H new ATOM 0 HA GLU A 65 5.651 6.373 4.539 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.785 6.167 6.641 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.758 4.824 6.076 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.279 6.214 5.072 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.023 7.155 4.293 1.00 0.00 H new ATOM 901 N ILE A 66 6.320 5.268 2.243 1.00 0.00 N ATOM 902 CA ILE A 66 6.948 4.875 0.948 1.00 0.00 C ATOM 903 C ILE A 66 7.815 6.012 0.393 1.00 0.00 C ATOM 904 O ILE A 66 7.401 7.150 0.351 1.00 0.00 O ATOM 905 CB ILE A 66 5.851 4.536 -0.066 1.00 0.00 C ATOM 906 CG1 ILE A 66 4.893 5.720 -0.214 1.00 0.00 C ATOM 907 CG2 ILE A 66 5.073 3.310 0.418 1.00 0.00 C ATOM 908 CD1 ILE A 66 3.828 5.384 -1.261 1.00 0.00 C ATOM 0 H ILE A 66 5.376 5.648 2.172 1.00 0.00 H new ATOM 0 HA ILE A 66 7.582 4.006 1.121 1.00 0.00 H new ATOM 0 HB ILE A 66 6.309 4.323 -1.032 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.421 5.942 0.743 1.00 0.00 H new ATOM 0 HG13 ILE A 66 5.443 6.612 -0.512 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.292 3.067 -0.302 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.752 2.463 0.516 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.620 3.525 1.386 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.144 6.226 -1.368 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.309 5.183 -2.218 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.271 4.503 -0.943 1.00 0.00 H new ATOM 920 N GLY A 67 9.013 5.708 -0.047 1.00 0.00 N ATOM 921 CA GLY A 67 9.891 6.771 -0.608 1.00 0.00 C ATOM 922 C GLY A 67 10.052 6.551 -2.114 1.00 0.00 C ATOM 923 O GLY A 67 9.785 5.476 -2.637 1.00 0.00 O ATOM 0 H GLY A 67 9.416 4.771 -0.040 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.460 7.754 -0.416 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.865 6.750 -0.119 1.00 0.00 H new ATOM 927 N ARG A 68 10.507 7.555 -2.811 1.00 0.00 N ATOM 928 CA ARG A 68 10.710 7.417 -4.278 1.00 0.00 C ATOM 929 C ARG A 68 12.220 7.406 -4.546 1.00 0.00 C ATOM 930 O ARG A 68 12.985 7.893 -3.744 1.00 0.00 O ATOM 931 CB ARG A 68 10.065 8.599 -5.003 1.00 0.00 C ATOM 932 CG ARG A 68 8.596 8.714 -4.589 1.00 0.00 C ATOM 933 CD ARG A 68 7.862 9.638 -5.563 1.00 0.00 C ATOM 934 NE ARG A 68 6.633 8.961 -6.064 1.00 0.00 N ATOM 935 CZ ARG A 68 6.558 8.589 -7.314 1.00 0.00 C ATOM 936 NH1 ARG A 68 6.584 9.484 -8.264 1.00 0.00 N ATOM 937 NH2 ARG A 68 6.457 7.323 -7.612 1.00 0.00 N ATOM 0 H ARG A 68 10.747 8.468 -2.425 1.00 0.00 H new ATOM 0 HA ARG A 68 10.253 6.496 -4.640 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.595 9.520 -4.761 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.140 8.462 -6.082 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.130 7.729 -4.585 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.523 9.106 -3.574 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.598 10.571 -5.066 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.514 9.895 -6.398 1.00 0.00 H new ATOM 0 HE ARG A 68 5.851 8.788 -5.432 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.663 10.474 -8.030 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.525 9.194 -9.240 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.437 6.624 -6.869 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.398 7.032 -8.588 1.00 0.00 H new ATOM 951 N THR A 69 12.661 6.864 -5.656 1.00 0.00 N ATOM 952 CA THR A 69 14.120 6.831 -5.942 1.00 0.00 C ATOM 953 C THR A 69 14.344 7.240 -7.409 1.00 0.00 C ATOM 954 O THR A 69 13.389 7.386 -8.160 1.00 0.00 O ATOM 955 CB THR A 69 14.660 5.413 -5.704 1.00 0.00 C ATOM 956 OG1 THR A 69 15.593 5.083 -6.722 1.00 0.00 O ATOM 957 CG2 THR A 69 13.510 4.406 -5.718 1.00 0.00 C ATOM 0 H THR A 69 12.069 6.444 -6.373 1.00 0.00 H new ATOM 0 HA THR A 69 14.646 7.522 -5.283 1.00 0.00 H new ATOM 0 HB THR A 69 15.153 5.378 -4.732 1.00 0.00 H new ATOM 0 HG1 THR A 69 15.137 4.591 -7.437 1.00 0.00 H new ATOM 0 HG21 THR A 69 13.902 3.403 -5.548 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.799 4.655 -4.931 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.008 4.440 -6.685 1.00 0.00 H new ATOM 965 N THR A 70 15.577 7.420 -7.847 1.00 0.00 N ATOM 966 CA THR A 70 15.788 7.824 -9.258 1.00 0.00 C ATOM 967 C THR A 70 15.476 6.650 -10.178 1.00 0.00 C ATOM 968 O THR A 70 14.328 6.392 -10.482 1.00 0.00 O ATOM 969 CB THR A 70 17.237 8.275 -9.456 1.00 0.00 C ATOM 970 OG1 THR A 70 18.089 7.511 -8.611 1.00 0.00 O ATOM 971 CG2 THR A 70 17.366 9.762 -9.112 1.00 0.00 C ATOM 0 H THR A 70 16.423 7.304 -7.290 1.00 0.00 H new ATOM 0 HA THR A 70 15.123 8.653 -9.500 1.00 0.00 H new ATOM 0 HB THR A 70 17.526 8.122 -10.496 1.00 0.00 H new ATOM 0 HG1 THR A 70 18.181 7.961 -7.745 1.00 0.00 H new ATOM 0 HG21 THR A 70 18.399 10.080 -9.254 1.00 0.00 H new ATOM 0 HG22 THR A 70 16.714 10.344 -9.764 1.00 0.00 H new ATOM 0 HG23 THR A 70 17.077 9.922 -8.073 1.00 0.00 H new ATOM 979 N CYS A 71 16.484 5.944 -10.623 1.00 0.00 N ATOM 980 CA CYS A 71 16.241 4.779 -11.546 1.00 0.00 C ATOM 981 C CYS A 71 15.073 5.122 -12.485 1.00 0.00 C ATOM 982 O CYS A 71 13.978 4.631 -12.294 1.00 0.00 O ATOM 983 CB CYS A 71 15.880 3.531 -10.725 1.00 0.00 C ATOM 984 SG CYS A 71 17.385 2.568 -10.419 1.00 0.00 S ATOM 0 H CYS A 71 17.462 6.118 -10.392 1.00 0.00 H new ATOM 0 HA CYS A 71 17.142 4.579 -12.126 1.00 0.00 H new ATOM 0 HB2 CYS A 71 15.421 3.822 -9.780 1.00 0.00 H new ATOM 0 HB3 CYS A 71 15.149 2.926 -11.262 1.00 0.00 H new ATOM 989 N PRO A 72 15.314 5.987 -13.448 1.00 0.00 N ATOM 990 CA PRO A 72 14.264 6.450 -14.398 1.00 0.00 C ATOM 991 C PRO A 72 14.084 5.477 -15.562 1.00 0.00 C ATOM 992 O PRO A 72 14.485 5.736 -16.679 1.00 0.00 O ATOM 993 CB PRO A 72 14.792 7.798 -14.860 1.00 0.00 C ATOM 994 CG PRO A 72 16.303 7.794 -14.651 1.00 0.00 C ATOM 995 CD PRO A 72 16.648 6.613 -13.735 1.00 0.00 C ATOM 0 HA PRO A 72 13.275 6.514 -13.945 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.550 7.965 -15.910 1.00 0.00 H new ATOM 0 HB3 PRO A 72 14.329 8.606 -14.294 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.820 7.700 -15.606 1.00 0.00 H new ATOM 0 HG3 PRO A 72 16.629 8.733 -14.203 1.00 0.00 H new ATOM 0 HD2 PRO A 72 17.324 5.911 -14.224 1.00 0.00 H new ATOM 0 HD3 PRO A 72 17.140 6.945 -12.821 1.00 0.00 H new ATOM 1003 N LYS A 73 13.468 4.363 -15.295 1.00 0.00 N ATOM 1004 CA LYS A 73 13.232 3.354 -16.374 1.00 0.00 C ATOM 1005 C LYS A 73 14.510 3.187 -17.207 1.00 0.00 C ATOM 1006 O LYS A 73 14.509 3.382 -18.406 1.00 0.00 O ATOM 1007 CB LYS A 73 12.089 3.829 -17.290 1.00 0.00 C ATOM 1008 CG LYS A 73 11.999 2.919 -18.515 1.00 0.00 C ATOM 1009 CD LYS A 73 10.546 2.844 -18.987 1.00 0.00 C ATOM 1010 CE LYS A 73 10.459 1.969 -20.240 1.00 0.00 C ATOM 1011 NZ LYS A 73 9.707 0.724 -19.921 1.00 0.00 N ATOM 0 H LYS A 73 13.115 4.102 -14.375 1.00 0.00 H new ATOM 0 HA LYS A 73 12.961 2.401 -15.920 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.145 3.817 -16.746 1.00 0.00 H new ATOM 0 HB3 LYS A 73 12.264 4.859 -17.602 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.633 3.303 -19.314 1.00 0.00 H new ATOM 0 HG3 LYS A 73 12.365 1.922 -18.269 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.917 2.431 -18.198 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.171 3.844 -19.203 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.961 2.512 -21.043 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.460 1.722 -20.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.646 0.128 -20.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.200 0.204 -19.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.748 0.970 -19.602 1.00 0.00 H new ATOM 1025 N SER A 74 15.602 2.829 -16.588 1.00 0.00 N ATOM 1026 CA SER A 74 16.868 2.655 -17.361 1.00 0.00 C ATOM 1027 C SER A 74 17.559 1.355 -16.930 1.00 0.00 C ATOM 1028 O SER A 74 17.208 0.282 -17.380 1.00 0.00 O ATOM 1029 CB SER A 74 17.794 3.846 -17.101 1.00 0.00 C ATOM 1030 OG SER A 74 17.468 4.903 -17.994 1.00 0.00 O ATOM 0 H SER A 74 15.674 2.650 -15.586 1.00 0.00 H new ATOM 0 HA SER A 74 16.640 2.603 -18.426 1.00 0.00 H new ATOM 0 HB2 SER A 74 17.691 4.182 -16.069 1.00 0.00 H new ATOM 0 HB3 SER A 74 18.834 3.548 -17.237 1.00 0.00 H new ATOM 0 HG SER A 74 17.991 5.699 -17.764 1.00 0.00 H new ATOM 1036 N SER A 75 18.538 1.436 -16.070 1.00 0.00 N ATOM 1037 CA SER A 75 19.242 0.193 -15.624 1.00 0.00 C ATOM 1038 C SER A 75 19.283 0.157 -14.094 1.00 0.00 C ATOM 1039 O SER A 75 18.636 0.940 -13.430 1.00 0.00 O ATOM 1040 CB SER A 75 20.673 0.195 -16.168 1.00 0.00 C ATOM 1041 OG SER A 75 20.747 -0.644 -17.310 1.00 0.00 O ATOM 0 H SER A 75 18.882 2.303 -15.657 1.00 0.00 H new ATOM 0 HA SER A 75 18.711 -0.682 -15.998 1.00 0.00 H new ATOM 0 HB2 SER A 75 20.972 1.210 -16.429 1.00 0.00 H new ATOM 0 HB3 SER A 75 21.365 -0.154 -15.402 1.00 0.00 H new ATOM 0 HG SER A 75 21.663 -0.641 -17.659 1.00 0.00 H new ATOM 1047 N GLY A 76 20.043 -0.745 -13.532 1.00 0.00 N ATOM 1048 CA GLY A 76 20.128 -0.825 -12.047 1.00 0.00 C ATOM 1049 C GLY A 76 21.472 -0.260 -11.586 1.00 0.00 C ATOM 1050 O GLY A 76 21.595 0.286 -10.508 1.00 0.00 O ATOM 0 H GLY A 76 20.607 -1.428 -14.037 1.00 0.00 H new ATOM 0 HA2 GLY A 76 19.310 -0.265 -11.594 1.00 0.00 H new ATOM 0 HA3 GLY A 76 20.024 -1.860 -11.721 1.00 0.00 H new ATOM 1054 N ASP A 77 22.485 -0.390 -12.398 1.00 0.00 N ATOM 1055 CA ASP A 77 23.824 0.131 -12.019 1.00 0.00 C ATOM 1056 C ASP A 77 24.247 1.213 -13.020 1.00 0.00 C ATOM 1057 O ASP A 77 23.457 1.669 -13.822 1.00 0.00 O ATOM 1058 CB ASP A 77 24.843 -1.014 -12.039 1.00 0.00 C ATOM 1059 CG ASP A 77 24.366 -2.126 -12.978 1.00 0.00 C ATOM 1060 OD1 ASP A 77 23.363 -2.747 -12.667 1.00 0.00 O ATOM 1061 OD2 ASP A 77 25.010 -2.334 -13.993 1.00 0.00 O ATOM 0 H ASP A 77 22.440 -0.838 -13.313 1.00 0.00 H new ATOM 0 HA ASP A 77 23.781 0.558 -11.017 1.00 0.00 H new ATOM 0 HB2 ASP A 77 25.814 -0.642 -12.367 1.00 0.00 H new ATOM 0 HB3 ASP A 77 24.977 -1.410 -11.032 1.00 0.00 H new ATOM 1066 N LEU A 78 25.489 1.621 -12.983 1.00 0.00 N ATOM 1067 CA LEU A 78 25.964 2.663 -13.931 1.00 0.00 C ATOM 1068 C LEU A 78 24.910 3.767 -14.061 1.00 0.00 C ATOM 1069 O LEU A 78 24.553 4.173 -15.149 1.00 0.00 O ATOM 1070 CB LEU A 78 26.208 2.025 -15.296 1.00 0.00 C ATOM 1071 CG LEU A 78 27.169 0.845 -15.144 1.00 0.00 C ATOM 1072 CD1 LEU A 78 26.784 -0.252 -16.138 1.00 0.00 C ATOM 1073 CD2 LEU A 78 28.598 1.311 -15.428 1.00 0.00 C ATOM 0 H LEU A 78 26.195 1.274 -12.333 1.00 0.00 H new ATOM 0 HA LEU A 78 26.891 3.098 -13.558 1.00 0.00 H new ATOM 0 HB2 LEU A 78 25.265 1.686 -15.725 1.00 0.00 H new ATOM 0 HB3 LEU A 78 26.625 2.761 -15.984 1.00 0.00 H new ATOM 0 HG LEU A 78 27.110 0.455 -14.128 1.00 0.00 H new ATOM 0 HD11 LEU A 78 27.467 -1.095 -16.032 1.00 0.00 H new ATOM 0 HD12 LEU A 78 25.765 -0.583 -15.938 1.00 0.00 H new ATOM 0 HD13 LEU A 78 26.845 0.139 -17.153 1.00 0.00 H new ATOM 0 HD21 LEU A 78 29.283 0.470 -15.320 1.00 0.00 H new ATOM 0 HD22 LEU A 78 28.659 1.700 -16.444 1.00 0.00 H new ATOM 0 HD23 LEU A 78 28.872 2.095 -14.722 1.00 0.00 H new ATOM 1085 N GLN A 79 24.410 4.254 -12.960 1.00 0.00 N ATOM 1086 CA GLN A 79 23.379 5.333 -13.021 1.00 0.00 C ATOM 1087 C GLN A 79 23.281 6.016 -11.662 1.00 0.00 C ATOM 1088 O GLN A 79 23.949 6.995 -11.393 1.00 0.00 O ATOM 1089 CB GLN A 79 22.026 4.734 -13.392 1.00 0.00 C ATOM 1090 CG GLN A 79 21.656 5.152 -14.817 1.00 0.00 C ATOM 1091 CD GLN A 79 20.171 4.878 -15.055 1.00 0.00 C ATOM 1092 OE1 GLN A 79 19.543 5.529 -15.867 1.00 0.00 O ATOM 1093 NE2 GLN A 79 19.577 3.938 -14.373 1.00 0.00 N ATOM 0 H GLN A 79 24.669 3.953 -12.020 1.00 0.00 H new ATOM 0 HA GLN A 79 23.665 6.064 -13.777 1.00 0.00 H new ATOM 0 HB2 GLN A 79 22.065 3.647 -13.319 1.00 0.00 H new ATOM 0 HB3 GLN A 79 21.262 5.073 -12.692 1.00 0.00 H new ATOM 0 HG2 GLN A 79 21.870 6.210 -14.965 1.00 0.00 H new ATOM 0 HG3 GLN A 79 22.259 4.601 -15.538 1.00 0.00 H new ATOM 0 HE21 GLN A 79 20.104 3.392 -13.692 1.00 0.00 H new ATOM 0 HE22 GLN A 79 18.586 3.749 -14.521 1.00 0.00 H new ATOM 1102 N SER A 80 22.451 5.507 -10.808 1.00 0.00 N ATOM 1103 CA SER A 80 22.298 6.118 -9.458 1.00 0.00 C ATOM 1104 C SER A 80 21.222 5.365 -8.674 1.00 0.00 C ATOM 1105 O SER A 80 21.520 4.510 -7.863 1.00 0.00 O ATOM 1106 CB SER A 80 21.888 7.583 -9.607 1.00 0.00 C ATOM 1107 OG SER A 80 21.647 8.139 -8.323 1.00 0.00 O ATOM 0 H SER A 80 21.866 4.690 -10.982 1.00 0.00 H new ATOM 0 HA SER A 80 23.245 6.057 -8.923 1.00 0.00 H new ATOM 0 HB2 SER A 80 22.674 8.142 -10.116 1.00 0.00 H new ATOM 0 HB3 SER A 80 20.992 7.660 -10.223 1.00 0.00 H new ATOM 0 HG SER A 80 21.386 9.079 -8.417 1.00 0.00 H new ATOM 1113 N CYS A 81 19.977 5.680 -8.900 1.00 0.00 N ATOM 1114 CA CYS A 81 18.887 4.977 -8.151 1.00 0.00 C ATOM 1115 C CYS A 81 18.822 5.527 -6.727 1.00 0.00 C ATOM 1116 O CYS A 81 19.091 6.686 -6.490 1.00 0.00 O ATOM 1117 CB CYS A 81 19.152 3.459 -8.113 1.00 0.00 C ATOM 1118 SG CYS A 81 17.596 2.579 -8.409 1.00 0.00 S ATOM 0 H CYS A 81 19.664 6.388 -9.565 1.00 0.00 H new ATOM 0 HA CYS A 81 17.937 5.149 -8.657 1.00 0.00 H new ATOM 0 HB2 CYS A 81 19.888 3.187 -8.869 1.00 0.00 H new ATOM 0 HB3 CYS A 81 19.568 3.174 -7.147 1.00 0.00 H new ATOM 1123 N GLU A 82 18.459 4.708 -5.781 1.00 0.00 N ATOM 1124 CA GLU A 82 18.366 5.177 -4.373 1.00 0.00 C ATOM 1125 C GLU A 82 17.225 6.190 -4.262 1.00 0.00 C ATOM 1126 O GLU A 82 16.880 6.859 -5.224 1.00 0.00 O ATOM 1127 CB GLU A 82 19.683 5.829 -3.967 1.00 0.00 C ATOM 1128 CG GLU A 82 20.831 4.838 -4.176 1.00 0.00 C ATOM 1129 CD GLU A 82 20.641 3.631 -3.254 1.00 0.00 C ATOM 1130 OE1 GLU A 82 20.960 3.752 -2.082 1.00 0.00 O ATOM 1131 OE2 GLU A 82 20.182 2.609 -3.736 1.00 0.00 O ATOM 0 H GLU A 82 18.221 3.727 -5.925 1.00 0.00 H new ATOM 0 HA GLU A 82 18.169 4.334 -3.711 1.00 0.00 H new ATOM 0 HB2 GLU A 82 19.853 6.728 -4.559 1.00 0.00 H new ATOM 0 HB3 GLU A 82 19.641 6.138 -2.923 1.00 0.00 H new ATOM 0 HG2 GLU A 82 20.860 4.513 -5.216 1.00 0.00 H new ATOM 0 HG3 GLU A 82 21.785 5.322 -3.967 1.00 0.00 H new ATOM 1138 N PHE A 83 16.608 6.285 -3.108 1.00 0.00 N ATOM 1139 CA PHE A 83 15.459 7.236 -2.952 1.00 0.00 C ATOM 1140 C PHE A 83 15.756 8.561 -3.670 1.00 0.00 C ATOM 1141 O PHE A 83 14.850 9.244 -4.096 1.00 0.00 O ATOM 1142 CB PHE A 83 15.145 7.517 -1.470 1.00 0.00 C ATOM 1143 CG PHE A 83 14.540 6.271 -0.838 1.00 0.00 C ATOM 1144 CD1 PHE A 83 15.360 5.215 -0.417 1.00 0.00 C ATOM 1145 CD2 PHE A 83 13.146 6.172 -0.677 1.00 0.00 C ATOM 1146 CE1 PHE A 83 14.793 4.070 0.162 1.00 0.00 C ATOM 1147 CE2 PHE A 83 12.582 5.028 -0.097 1.00 0.00 C ATOM 1148 CZ PHE A 83 13.406 3.976 0.324 1.00 0.00 C ATOM 0 H PHE A 83 16.847 5.750 -2.273 1.00 0.00 H new ATOM 0 HA PHE A 83 14.587 6.762 -3.402 1.00 0.00 H new ATOM 0 HB2 PHE A 83 16.055 7.802 -0.941 1.00 0.00 H new ATOM 0 HB3 PHE A 83 14.452 8.354 -1.386 1.00 0.00 H new ATOM 0 HD1 PHE A 83 16.431 5.283 -0.539 1.00 0.00 H new ATOM 0 HD2 PHE A 83 12.508 6.981 -1.002 1.00 0.00 H new ATOM 0 HE1 PHE A 83 15.429 3.258 0.484 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.511 4.957 0.026 1.00 0.00 H new ATOM 0 HZ PHE A 83 12.972 3.095 0.772 1.00 0.00 H new ATOM 1158 N HIS A 84 17.016 8.894 -3.818 1.00 0.00 N ATOM 1159 CA HIS A 84 17.444 10.144 -4.520 1.00 0.00 C ATOM 1160 C HIS A 84 18.642 10.764 -3.781 1.00 0.00 C ATOM 1161 O HIS A 84 18.485 11.372 -2.741 1.00 0.00 O ATOM 1162 CB HIS A 84 16.322 11.174 -4.572 1.00 0.00 C ATOM 1163 CG HIS A 84 15.791 11.448 -3.190 1.00 0.00 C ATOM 1164 ND1 HIS A 84 14.968 12.530 -2.923 1.00 0.00 N ATOM 1165 CD2 HIS A 84 15.947 10.792 -1.995 1.00 0.00 C ATOM 1166 CE1 HIS A 84 14.661 12.493 -1.614 1.00 0.00 C ATOM 1167 NE2 HIS A 84 15.232 11.453 -1.001 1.00 0.00 N ATOM 0 H HIS A 84 17.791 8.330 -3.468 1.00 0.00 H new ATOM 0 HA HIS A 84 17.715 9.873 -5.540 1.00 0.00 H new ATOM 0 HB2 HIS A 84 16.690 12.099 -5.016 1.00 0.00 H new ATOM 0 HB3 HIS A 84 15.517 10.811 -5.212 1.00 0.00 H new ATOM 0 HD1 HIS A 84 14.652 13.228 -3.597 1.00 0.00 H new ATOM 0 HD2 HIS A 84 16.535 9.898 -1.848 1.00 0.00 H new ATOM 0 HE1 HIS A 84 14.030 13.216 -1.119 1.00 0.00 H new ATOM 1175 N ASP A 85 19.835 10.633 -4.311 1.00 0.00 N ATOM 1176 CA ASP A 85 21.024 11.234 -3.637 1.00 0.00 C ATOM 1177 C ASP A 85 21.340 10.475 -2.341 1.00 0.00 C ATOM 1178 O ASP A 85 21.158 9.276 -2.251 1.00 0.00 O ATOM 1179 CB ASP A 85 20.738 12.704 -3.317 1.00 0.00 C ATOM 1180 CG ASP A 85 20.153 13.393 -4.553 1.00 0.00 C ATOM 1181 OD1 ASP A 85 19.087 12.987 -4.985 1.00 0.00 O ATOM 1182 OD2 ASP A 85 20.782 14.314 -5.045 1.00 0.00 O ATOM 0 H ASP A 85 20.034 10.136 -5.179 1.00 0.00 H new ATOM 0 HA ASP A 85 21.884 11.164 -4.303 1.00 0.00 H new ATOM 0 HB2 ASP A 85 20.040 12.776 -2.483 1.00 0.00 H new ATOM 0 HB3 ASP A 85 21.656 13.205 -3.009 1.00 0.00 H new ATOM 1187 N GLU A 86 21.817 11.165 -1.338 1.00 0.00 N ATOM 1188 CA GLU A 86 22.151 10.481 -0.047 1.00 0.00 C ATOM 1189 C GLU A 86 20.877 10.334 0.788 1.00 0.00 C ATOM 1190 O GLU A 86 19.888 10.988 0.521 1.00 0.00 O ATOM 1191 CB GLU A 86 23.190 11.306 0.730 1.00 0.00 C ATOM 1192 CG GLU A 86 24.390 11.603 -0.174 1.00 0.00 C ATOM 1193 CD GLU A 86 24.607 13.116 -0.252 1.00 0.00 C ATOM 1194 OE1 GLU A 86 23.840 13.770 -0.937 1.00 0.00 O ATOM 1195 OE2 GLU A 86 25.538 13.593 0.376 1.00 0.00 O ATOM 0 H GLU A 86 21.990 12.170 -1.354 1.00 0.00 H new ATOM 0 HA GLU A 86 22.568 9.496 -0.255 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.744 12.238 1.077 1.00 0.00 H new ATOM 0 HB3 GLU A 86 23.515 10.759 1.615 1.00 0.00 H new ATOM 0 HG2 GLU A 86 25.283 11.116 0.218 1.00 0.00 H new ATOM 0 HG3 GLU A 86 24.217 11.198 -1.171 1.00 0.00 H new ATOM 1202 N PRO A 87 20.936 9.474 1.774 1.00 0.00 N ATOM 1203 CA PRO A 87 19.788 9.198 2.686 1.00 0.00 C ATOM 1204 C PRO A 87 19.661 10.300 3.741 1.00 0.00 C ATOM 1205 O PRO A 87 18.573 10.723 4.079 1.00 0.00 O ATOM 1206 CB PRO A 87 20.157 7.861 3.315 1.00 0.00 C ATOM 1207 CG PRO A 87 21.671 7.723 3.218 1.00 0.00 C ATOM 1208 CD PRO A 87 22.153 8.669 2.112 1.00 0.00 C ATOM 0 HA PRO A 87 18.825 9.170 2.177 1.00 0.00 H new ATOM 0 HB2 PRO A 87 19.833 7.822 4.355 1.00 0.00 H new ATOM 0 HB3 PRO A 87 19.661 7.041 2.795 1.00 0.00 H new ATOM 0 HG2 PRO A 87 22.140 7.975 4.169 1.00 0.00 H new ATOM 0 HG3 PRO A 87 21.948 6.694 2.989 1.00 0.00 H new ATOM 0 HD2 PRO A 87 22.969 9.304 2.456 1.00 0.00 H new ATOM 0 HD3 PRO A 87 22.521 8.118 1.247 1.00 0.00 H new ATOM 1216 N GLU A 88 20.761 10.777 4.256 1.00 0.00 N ATOM 1217 CA GLU A 88 20.685 11.862 5.282 1.00 0.00 C ATOM 1218 C GLU A 88 20.023 13.090 4.657 1.00 0.00 C ATOM 1219 O GLU A 88 19.322 13.832 5.315 1.00 0.00 O ATOM 1220 CB GLU A 88 22.093 12.229 5.758 1.00 0.00 C ATOM 1221 CG GLU A 88 22.279 11.766 7.204 1.00 0.00 C ATOM 1222 CD GLU A 88 23.748 11.909 7.600 1.00 0.00 C ATOM 1223 OE1 GLU A 88 24.111 12.968 8.086 1.00 0.00 O ATOM 1224 OE2 GLU A 88 24.489 10.957 7.410 1.00 0.00 O ATOM 0 H GLU A 88 21.703 10.467 4.015 1.00 0.00 H new ATOM 0 HA GLU A 88 20.100 11.517 6.135 1.00 0.00 H new ATOM 0 HB2 GLU A 88 22.839 11.761 5.116 1.00 0.00 H new ATOM 0 HB3 GLU A 88 22.243 13.306 5.688 1.00 0.00 H new ATOM 0 HG2 GLU A 88 21.652 12.359 7.870 1.00 0.00 H new ATOM 0 HG3 GLU A 88 21.963 10.728 7.308 1.00 0.00 H new ATOM 1231 N MET A 89 20.233 13.303 3.388 1.00 0.00 N ATOM 1232 CA MET A 89 19.611 14.476 2.712 1.00 0.00 C ATOM 1233 C MET A 89 18.443 13.988 1.856 1.00 0.00 C ATOM 1234 O MET A 89 18.113 14.570 0.842 1.00 0.00 O ATOM 1235 CB MET A 89 20.649 15.165 1.824 1.00 0.00 C ATOM 1236 CG MET A 89 21.498 16.116 2.669 1.00 0.00 C ATOM 1237 SD MET A 89 20.442 17.414 3.360 1.00 0.00 S ATOM 1238 CE MET A 89 19.633 17.895 1.814 1.00 0.00 C ATOM 0 H MET A 89 20.810 12.714 2.788 1.00 0.00 H new ATOM 0 HA MET A 89 19.252 15.187 3.456 1.00 0.00 H new ATOM 0 HB2 MET A 89 21.286 14.420 1.347 1.00 0.00 H new ATOM 0 HB3 MET A 89 20.151 15.717 1.027 1.00 0.00 H new ATOM 0 HG2 MET A 89 21.989 15.566 3.472 1.00 0.00 H new ATOM 0 HG3 MET A 89 22.285 16.559 2.058 1.00 0.00 H new ATOM 0 HE1 MET A 89 19.272 18.920 1.896 1.00 0.00 H new ATOM 0 HE2 MET A 89 20.347 17.826 0.993 1.00 0.00 H new ATOM 0 HE3 MET A 89 18.792 17.229 1.621 1.00 0.00 H new ATOM 1248 N ALA A 90 17.816 12.916 2.259 1.00 0.00 N ATOM 1249 CA ALA A 90 16.668 12.376 1.476 1.00 0.00 C ATOM 1250 C ALA A 90 15.465 12.190 2.403 1.00 0.00 C ATOM 1251 O ALA A 90 15.611 12.060 3.603 1.00 0.00 O ATOM 1252 CB ALA A 90 17.056 11.020 0.878 1.00 0.00 C ATOM 0 H ALA A 90 18.051 12.389 3.100 1.00 0.00 H new ATOM 0 HA ALA A 90 16.412 13.071 0.677 1.00 0.00 H new ATOM 0 HB1 ALA A 90 16.219 10.622 0.305 1.00 0.00 H new ATOM 0 HB2 ALA A 90 17.918 11.145 0.223 1.00 0.00 H new ATOM 0 HB3 ALA A 90 17.308 10.327 1.681 1.00 0.00 H new ATOM 1258 N LYS A 91 14.276 12.170 1.862 1.00 0.00 N ATOM 1259 CA LYS A 91 13.084 11.986 2.698 1.00 0.00 C ATOM 1260 C LYS A 91 12.338 10.759 2.195 1.00 0.00 C ATOM 1261 O LYS A 91 12.922 9.801 1.732 1.00 0.00 O ATOM 1262 CB LYS A 91 12.202 13.234 2.583 1.00 0.00 C ATOM 1263 CG LYS A 91 11.582 13.292 1.187 1.00 0.00 C ATOM 1264 CD LYS A 91 11.688 14.717 0.639 1.00 0.00 C ATOM 1265 CE LYS A 91 11.041 15.693 1.625 1.00 0.00 C ATOM 1266 NZ LYS A 91 12.079 16.615 2.168 1.00 0.00 N ATOM 0 H LYS A 91 14.091 12.276 0.864 1.00 0.00 H new ATOM 0 HA LYS A 91 13.356 11.843 3.744 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.418 13.210 3.340 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.795 14.130 2.767 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.093 12.596 0.522 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.537 12.984 1.229 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.734 14.981 0.483 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.195 14.783 -0.331 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.258 16.264 1.126 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.567 15.144 2.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.861 16.837 3.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.012 16.159 2.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.089 17.493 1.611 1.00 0.00 H new ATOM 1280 N TYR A 92 11.059 10.803 2.285 1.00 0.00 N ATOM 1281 CA TYR A 92 10.207 9.660 1.824 1.00 0.00 C ATOM 1282 C TYR A 92 8.777 10.164 1.616 1.00 0.00 C ATOM 1283 O TYR A 92 8.556 11.332 1.369 1.00 0.00 O ATOM 1284 CB TYR A 92 10.222 8.529 2.872 1.00 0.00 C ATOM 1285 CG TYR A 92 11.662 8.040 3.048 1.00 0.00 C ATOM 1286 CD1 TYR A 92 12.515 8.645 3.996 1.00 0.00 C ATOM 1287 CD2 TYR A 92 12.162 6.993 2.252 1.00 0.00 C ATOM 1288 CE1 TYR A 92 13.834 8.203 4.139 1.00 0.00 C ATOM 1289 CE2 TYR A 92 13.483 6.560 2.399 1.00 0.00 C ATOM 1290 CZ TYR A 92 14.318 7.163 3.343 1.00 0.00 C ATOM 1291 OH TYR A 92 15.621 6.733 3.485 1.00 0.00 O ATOM 0 H TYR A 92 10.539 11.594 2.665 1.00 0.00 H new ATOM 0 HA TYR A 92 10.599 9.265 0.887 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.827 8.889 3.822 1.00 0.00 H new ATOM 0 HB3 TYR A 92 9.581 7.708 2.551 1.00 0.00 H new ATOM 0 HD1 TYR A 92 12.148 9.452 4.613 1.00 0.00 H new ATOM 0 HD2 TYR A 92 11.521 6.521 1.522 1.00 0.00 H new ATOM 0 HE1 TYR A 92 14.481 8.668 4.868 1.00 0.00 H new ATOM 0 HE2 TYR A 92 13.859 5.758 1.782 1.00 0.00 H new ATOM 0 HH TYR A 92 15.795 6.002 2.856 1.00 0.00 H new ATOM 1301 N THR A 93 7.802 9.301 1.704 1.00 0.00 N ATOM 1302 CA THR A 93 6.398 9.757 1.496 1.00 0.00 C ATOM 1303 C THR A 93 5.436 8.924 2.348 1.00 0.00 C ATOM 1304 O THR A 93 5.420 7.706 2.284 1.00 0.00 O ATOM 1305 CB THR A 93 6.030 9.603 0.018 1.00 0.00 C ATOM 1306 OG1 THR A 93 7.039 10.202 -0.785 1.00 0.00 O ATOM 1307 CG2 THR A 93 4.687 10.286 -0.247 1.00 0.00 C ATOM 0 H THR A 93 7.915 8.308 1.909 1.00 0.00 H new ATOM 0 HA THR A 93 6.317 10.803 1.793 1.00 0.00 H new ATOM 0 HB THR A 93 5.951 8.545 -0.231 1.00 0.00 H new ATOM 0 HG1 THR A 93 6.806 10.103 -1.732 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.425 10.177 -1.299 1.00 0.00 H new ATOM 0 HG22 THR A 93 3.916 9.824 0.369 1.00 0.00 H new ATOM 0 HG23 THR A 93 4.762 11.345 -0.000 1.00 0.00 H new ATOM 1315 N THR A 94 4.621 9.573 3.134 1.00 0.00 N ATOM 1316 CA THR A 94 3.647 8.832 3.979 1.00 0.00 C ATOM 1317 C THR A 94 2.393 8.547 3.149 1.00 0.00 C ATOM 1318 O THR A 94 1.969 9.361 2.354 1.00 0.00 O ATOM 1319 CB THR A 94 3.285 9.676 5.210 1.00 0.00 C ATOM 1320 OG1 THR A 94 2.748 8.831 6.217 1.00 0.00 O ATOM 1321 CG2 THR A 94 2.249 10.737 4.832 1.00 0.00 C ATOM 0 H THR A 94 4.589 10.588 3.226 1.00 0.00 H new ATOM 0 HA THR A 94 4.084 7.892 4.316 1.00 0.00 H new ATOM 0 HB THR A 94 4.183 10.170 5.582 1.00 0.00 H new ATOM 0 HG1 THR A 94 2.518 9.366 7.005 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.999 11.330 5.711 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.660 11.388 4.060 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.350 10.250 4.455 1.00 0.00 H new ATOM 1329 N CYS A 95 1.794 7.403 3.324 1.00 0.00 N ATOM 1330 CA CYS A 95 0.566 7.083 2.534 1.00 0.00 C ATOM 1331 C CYS A 95 -0.090 5.856 3.168 1.00 0.00 C ATOM 1332 O CYS A 95 0.590 4.954 3.596 1.00 0.00 O ATOM 1333 CB CYS A 95 0.953 6.775 1.078 1.00 0.00 C ATOM 1334 SG CYS A 95 -0.534 6.661 0.057 1.00 0.00 S ATOM 0 H CYS A 95 2.096 6.678 3.975 1.00 0.00 H new ATOM 0 HA CYS A 95 -0.123 7.927 2.538 1.00 0.00 H new ATOM 0 HB2 CYS A 95 1.609 7.556 0.694 1.00 0.00 H new ATOM 0 HB3 CYS A 95 1.510 5.839 1.031 1.00 0.00 H new ATOM 1339 N THR A 96 -1.389 5.810 3.259 1.00 0.00 N ATOM 1340 CA THR A 96 -2.029 4.625 3.906 1.00 0.00 C ATOM 1341 C THR A 96 -2.955 3.908 2.934 1.00 0.00 C ATOM 1342 O THR A 96 -3.952 4.454 2.510 1.00 0.00 O ATOM 1343 CB THR A 96 -2.855 5.090 5.102 1.00 0.00 C ATOM 1344 OG1 THR A 96 -2.020 5.775 6.023 1.00 0.00 O ATOM 1345 CG2 THR A 96 -3.494 3.882 5.788 1.00 0.00 C ATOM 0 H THR A 96 -2.029 6.528 2.920 1.00 0.00 H new ATOM 0 HA THR A 96 -1.241 3.941 4.221 1.00 0.00 H new ATOM 0 HB THR A 96 -3.639 5.764 4.756 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.554 6.074 6.789 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.083 4.218 6.642 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.142 3.363 5.082 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.713 3.203 6.131 1.00 0.00 H new ATOM 1353 N PHE A 97 -2.676 2.674 2.599 1.00 0.00 N ATOM 1354 CA PHE A 97 -3.617 1.981 1.664 1.00 0.00 C ATOM 1355 C PHE A 97 -4.850 1.539 2.447 1.00 0.00 C ATOM 1356 O PHE A 97 -4.845 1.485 3.663 1.00 0.00 O ATOM 1357 CB PHE A 97 -3.035 0.722 0.997 1.00 0.00 C ATOM 1358 CG PHE A 97 -1.528 0.714 0.898 1.00 0.00 C ATOM 1359 CD1 PHE A 97 -0.781 1.897 0.891 1.00 0.00 C ATOM 1360 CD2 PHE A 97 -0.884 -0.521 0.772 1.00 0.00 C ATOM 1361 CE1 PHE A 97 0.614 1.835 0.755 1.00 0.00 C ATOM 1362 CE2 PHE A 97 0.502 -0.584 0.645 1.00 0.00 C ATOM 1363 CZ PHE A 97 1.254 0.590 0.633 1.00 0.00 C ATOM 0 H PHE A 97 -1.872 2.133 2.916 1.00 0.00 H new ATOM 0 HA PHE A 97 -3.839 2.701 0.877 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.356 -0.155 1.560 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -3.454 0.629 -0.005 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -1.275 2.852 0.990 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.465 -1.432 0.773 1.00 0.00 H new ATOM 0 HE1 PHE A 97 1.196 2.745 0.744 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.994 -1.542 0.556 1.00 0.00 H new ATOM 0 HZ PHE A 97 2.328 0.543 0.530 1.00 0.00 H new ATOM 1373 N VAL A 98 -5.900 1.200 1.754 1.00 0.00 N ATOM 1374 CA VAL A 98 -7.137 0.734 2.438 1.00 0.00 C ATOM 1375 C VAL A 98 -7.856 -0.263 1.525 1.00 0.00 C ATOM 1376 O VAL A 98 -8.069 -0.001 0.357 1.00 0.00 O ATOM 1377 CB VAL A 98 -8.046 1.929 2.726 1.00 0.00 C ATOM 1378 CG1 VAL A 98 -9.429 1.428 3.146 1.00 0.00 C ATOM 1379 CG2 VAL A 98 -7.444 2.769 3.853 1.00 0.00 C ATOM 0 H VAL A 98 -5.955 1.226 0.736 1.00 0.00 H new ATOM 0 HA VAL A 98 -6.883 0.251 3.382 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.138 2.540 1.828 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -10.078 2.280 3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -9.859 0.830 2.342 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -9.337 0.817 4.044 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -8.092 3.621 4.058 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.351 2.159 4.752 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.459 3.127 3.554 1.00 0.00 H new ATOM 1389 N VAL A 99 -8.221 -1.409 2.036 1.00 0.00 N ATOM 1390 CA VAL A 99 -8.910 -2.417 1.174 1.00 0.00 C ATOM 1391 C VAL A 99 -10.321 -2.680 1.699 1.00 0.00 C ATOM 1392 O VAL A 99 -10.613 -2.476 2.861 1.00 0.00 O ATOM 1393 CB VAL A 99 -8.116 -3.722 1.184 1.00 0.00 C ATOM 1394 CG1 VAL A 99 -8.365 -4.477 -0.124 1.00 0.00 C ATOM 1395 CG2 VAL A 99 -6.623 -3.416 1.320 1.00 0.00 C ATOM 0 H VAL A 99 -8.074 -1.691 3.005 1.00 0.00 H new ATOM 0 HA VAL A 99 -8.973 -2.031 0.157 1.00 0.00 H new ATOM 0 HB VAL A 99 -8.436 -4.334 2.027 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.799 -5.409 -0.120 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -9.428 -4.698 -0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.045 -3.862 -0.965 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.060 -4.349 1.327 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.299 -2.803 0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.445 -2.878 2.251 1.00 0.00 H new ATOM 1405 N TYR A 100 -11.197 -3.145 0.845 1.00 0.00 N ATOM 1406 CA TYR A 100 -12.586 -3.432 1.272 1.00 0.00 C ATOM 1407 C TYR A 100 -12.886 -4.901 0.975 1.00 0.00 C ATOM 1408 O TYR A 100 -12.508 -5.414 -0.060 1.00 0.00 O ATOM 1409 CB TYR A 100 -13.527 -2.539 0.480 1.00 0.00 C ATOM 1410 CG TYR A 100 -14.654 -2.022 1.401 1.00 0.00 C ATOM 1411 CD1 TYR A 100 -15.430 -2.919 2.181 1.00 0.00 C ATOM 1412 CD2 TYR A 100 -14.931 -0.645 1.487 1.00 0.00 C ATOM 1413 CE1 TYR A 100 -16.445 -2.430 3.012 1.00 0.00 C ATOM 1414 CE2 TYR A 100 -15.947 -0.171 2.321 1.00 0.00 C ATOM 1415 CZ TYR A 100 -16.701 -1.060 3.082 1.00 0.00 C ATOM 1416 OH TYR A 100 -17.706 -0.587 3.901 1.00 0.00 O ATOM 0 H TYR A 100 -11.001 -3.338 -0.137 1.00 0.00 H new ATOM 0 HA TYR A 100 -12.716 -3.241 2.337 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -12.976 -1.699 0.057 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -13.953 -3.094 -0.356 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -15.237 -3.981 2.133 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -14.352 0.054 0.902 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -17.033 -3.117 3.602 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -16.148 0.889 2.375 1.00 0.00 H new ATOM 0 HH TYR A 100 -18.199 -1.343 4.283 1.00 0.00 H new ATOM 1426 N SER A 101 -13.542 -5.595 1.863 1.00 0.00 N ATOM 1427 CA SER A 101 -13.822 -7.033 1.591 1.00 0.00 C ATOM 1428 C SER A 101 -15.050 -7.504 2.368 1.00 0.00 C ATOM 1429 O SER A 101 -15.159 -7.297 3.564 1.00 0.00 O ATOM 1430 CB SER A 101 -12.615 -7.870 2.011 1.00 0.00 C ATOM 1431 OG SER A 101 -12.850 -9.235 1.692 1.00 0.00 O ATOM 0 H SER A 101 -13.892 -5.237 2.752 1.00 0.00 H new ATOM 0 HA SER A 101 -14.014 -7.153 0.525 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.719 -7.516 1.502 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.438 -7.761 3.081 1.00 0.00 H new ATOM 0 HG SER A 101 -12.075 -9.772 1.960 1.00 0.00 H new ATOM 1437 N ILE A 102 -15.973 -8.152 1.701 1.00 0.00 N ATOM 1438 CA ILE A 102 -17.180 -8.656 2.411 1.00 0.00 C ATOM 1439 C ILE A 102 -17.881 -9.708 1.536 1.00 0.00 C ATOM 1440 O ILE A 102 -18.537 -9.356 0.573 1.00 0.00 O ATOM 1441 CB ILE A 102 -18.172 -7.524 2.667 1.00 0.00 C ATOM 1442 CG1 ILE A 102 -17.502 -6.162 2.453 1.00 0.00 C ATOM 1443 CG2 ILE A 102 -18.698 -7.637 4.108 1.00 0.00 C ATOM 1444 CD1 ILE A 102 -18.565 -5.062 2.473 1.00 0.00 C ATOM 0 H ILE A 102 -15.940 -8.351 0.701 1.00 0.00 H new ATOM 0 HA ILE A 102 -16.861 -9.084 3.361 1.00 0.00 H new ATOM 0 HB ILE A 102 -19.002 -7.606 1.965 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -16.762 -5.982 3.233 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -16.971 -6.152 1.501 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -19.408 -6.832 4.300 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -19.195 -8.598 4.240 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -17.865 -7.561 4.807 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -18.089 -4.093 2.321 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -19.288 -5.240 1.677 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -19.076 -5.068 3.436 1.00 0.00 H new ATOM 1456 N PRO A 103 -17.743 -10.964 1.885 1.00 0.00 N ATOM 1457 CA PRO A 103 -18.379 -12.085 1.134 1.00 0.00 C ATOM 1458 C PRO A 103 -19.816 -12.301 1.636 1.00 0.00 C ATOM 1459 O PRO A 103 -20.568 -13.081 1.085 1.00 0.00 O ATOM 1460 CB PRO A 103 -17.491 -13.273 1.485 1.00 0.00 C ATOM 1461 CG PRO A 103 -16.810 -12.953 2.814 1.00 0.00 C ATOM 1462 CD PRO A 103 -16.944 -11.446 3.061 1.00 0.00 C ATOM 0 HA PRO A 103 -18.454 -11.914 0.060 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -18.083 -14.185 1.566 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -16.750 -13.443 0.704 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -17.273 -13.515 3.625 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -15.760 -13.243 2.784 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -17.452 -11.238 4.003 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -15.970 -10.960 3.110 1.00 0.00 H new ATOM 1470 N TRP A 104 -20.183 -11.643 2.710 1.00 0.00 N ATOM 1471 CA TRP A 104 -21.571 -11.849 3.285 1.00 0.00 C ATOM 1472 C TRP A 104 -22.683 -11.134 2.514 1.00 0.00 C ATOM 1473 O TRP A 104 -23.848 -11.381 2.760 1.00 0.00 O ATOM 1474 CB TRP A 104 -21.629 -11.427 4.764 1.00 0.00 C ATOM 1475 CG TRP A 104 -22.056 -9.987 4.984 1.00 0.00 C ATOM 1476 CD1 TRP A 104 -22.792 -9.615 6.053 1.00 0.00 C ATOM 1477 CD2 TRP A 104 -21.809 -8.733 4.225 1.00 0.00 C ATOM 1478 NE1 TRP A 104 -22.981 -8.259 6.031 1.00 0.00 N ATOM 1479 CE2 TRP A 104 -22.406 -7.669 4.945 1.00 0.00 C ATOM 1480 CE3 TRP A 104 -21.144 -8.391 3.028 1.00 0.00 C ATOM 1481 CZ2 TRP A 104 -22.340 -6.345 4.520 1.00 0.00 C ATOM 1482 CZ3 TRP A 104 -21.085 -7.041 2.598 1.00 0.00 C ATOM 1483 CH2 TRP A 104 -21.678 -6.027 3.349 1.00 0.00 C ATOM 0 H TRP A 104 -19.597 -10.978 3.215 1.00 0.00 H new ATOM 0 HA TRP A 104 -21.755 -12.919 3.190 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -22.321 -12.084 5.291 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -20.646 -11.575 5.211 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -23.173 -10.285 6.810 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -23.495 -7.747 6.748 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -20.677 -9.163 2.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -22.806 -5.566 5.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -20.575 -6.796 1.678 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -21.621 -5.001 3.018 1.00 0.00 H new ATOM 1494 N LEU A 105 -22.388 -10.269 1.595 1.00 0.00 N ATOM 1495 CA LEU A 105 -23.477 -9.604 0.872 1.00 0.00 C ATOM 1496 C LEU A 105 -22.984 -9.236 -0.537 1.00 0.00 C ATOM 1497 O LEU A 105 -23.499 -8.330 -1.161 1.00 0.00 O ATOM 1498 CB LEU A 105 -23.906 -8.353 1.641 1.00 0.00 C ATOM 1499 CG LEU A 105 -24.610 -8.739 2.962 1.00 0.00 C ATOM 1500 CD1 LEU A 105 -24.948 -7.479 3.748 1.00 0.00 C ATOM 1501 CD2 LEU A 105 -25.897 -9.505 2.648 1.00 0.00 C ATOM 0 H LEU A 105 -21.444 -9.999 1.319 1.00 0.00 H new ATOM 0 HA LEU A 105 -24.337 -10.268 0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -23.034 -7.735 1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -24.578 -7.755 1.026 1.00 0.00 H new ATOM 0 HG LEU A 105 -23.947 -9.368 3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -25.444 -7.753 4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -24.031 -6.933 3.972 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -25.610 -6.848 3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -26.394 -9.778 3.579 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -26.559 -8.876 2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -25.655 -10.408 2.088 1.00 0.00 H new ATOM 1513 N ASN A 106 -21.985 -9.943 -1.037 1.00 0.00 N ATOM 1514 CA ASN A 106 -21.448 -9.666 -2.402 1.00 0.00 C ATOM 1515 C ASN A 106 -20.677 -8.346 -2.425 1.00 0.00 C ATOM 1516 O ASN A 106 -21.127 -7.371 -2.993 1.00 0.00 O ATOM 1517 CB ASN A 106 -22.580 -9.617 -3.427 1.00 0.00 C ATOM 1518 CG ASN A 106 -23.008 -11.042 -3.786 1.00 0.00 C ATOM 1519 OD1 ASN A 106 -22.180 -11.916 -3.940 1.00 0.00 O ATOM 1520 ND2 ASN A 106 -24.277 -11.311 -3.925 1.00 0.00 N ATOM 0 H ASN A 106 -21.521 -10.706 -0.545 1.00 0.00 H new ATOM 0 HA ASN A 106 -20.767 -10.476 -2.663 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -23.427 -9.063 -3.022 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -22.252 -9.089 -4.322 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -24.575 -12.257 -4.163 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -24.971 -10.575 -3.795 1.00 0.00 H new ATOM 1527 N GLN A 107 -19.506 -8.305 -1.839 1.00 0.00 N ATOM 1528 CA GLN A 107 -18.723 -7.026 -1.884 1.00 0.00 C ATOM 1529 C GLN A 107 -17.231 -7.276 -1.722 1.00 0.00 C ATOM 1530 O GLN A 107 -16.790 -8.254 -1.148 1.00 0.00 O ATOM 1531 CB GLN A 107 -19.192 -6.042 -0.816 1.00 0.00 C ATOM 1532 CG GLN A 107 -19.153 -4.625 -1.390 1.00 0.00 C ATOM 1533 CD GLN A 107 -20.528 -3.973 -1.235 1.00 0.00 C ATOM 1534 OE1 GLN A 107 -21.166 -4.111 -0.210 1.00 0.00 O ATOM 1535 NE2 GLN A 107 -21.014 -3.264 -2.216 1.00 0.00 N ATOM 0 H GLN A 107 -19.065 -9.079 -1.343 1.00 0.00 H new ATOM 0 HA GLN A 107 -18.901 -6.589 -2.867 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -20.204 -6.290 -0.494 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -18.552 -6.109 0.064 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -18.398 -4.033 -0.873 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -18.870 -4.655 -2.442 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -20.478 -3.148 -3.076 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -21.930 -2.825 -2.123 1.00 0.00 H new ATOM 1544 N ILE A 108 -16.466 -6.367 -2.244 1.00 0.00 N ATOM 1545 CA ILE A 108 -14.983 -6.467 -2.182 1.00 0.00 C ATOM 1546 C ILE A 108 -14.397 -5.399 -3.121 1.00 0.00 C ATOM 1547 O ILE A 108 -14.643 -5.414 -4.310 1.00 0.00 O ATOM 1548 CB ILE A 108 -14.557 -7.891 -2.619 1.00 0.00 C ATOM 1549 CG1 ILE A 108 -13.633 -8.499 -1.564 1.00 0.00 C ATOM 1550 CG2 ILE A 108 -13.820 -7.865 -3.964 1.00 0.00 C ATOM 1551 CD1 ILE A 108 -12.400 -7.611 -1.398 1.00 0.00 C ATOM 0 H ILE A 108 -16.813 -5.537 -2.724 1.00 0.00 H new ATOM 0 HA ILE A 108 -14.614 -6.296 -1.171 1.00 0.00 H new ATOM 0 HB ILE A 108 -15.460 -8.491 -2.725 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -14.159 -8.592 -0.614 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -13.334 -9.504 -1.862 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -13.535 -8.880 -4.242 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -14.475 -7.449 -4.730 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -12.926 -7.248 -3.877 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -11.739 -8.043 -0.646 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -11.871 -7.541 -2.349 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -12.709 -6.615 -1.081 1.00 0.00 H new ATOM 1563 N LYS A 109 -13.630 -4.474 -2.610 1.00 0.00 N ATOM 1564 CA LYS A 109 -13.055 -3.426 -3.501 1.00 0.00 C ATOM 1565 C LYS A 109 -11.621 -3.150 -3.082 1.00 0.00 C ATOM 1566 O LYS A 109 -11.158 -3.644 -2.076 1.00 0.00 O ATOM 1567 CB LYS A 109 -13.877 -2.142 -3.381 1.00 0.00 C ATOM 1568 CG LYS A 109 -13.468 -1.171 -4.491 1.00 0.00 C ATOM 1569 CD LYS A 109 -14.701 -0.406 -4.978 1.00 0.00 C ATOM 1570 CE LYS A 109 -15.382 -1.199 -6.096 1.00 0.00 C ATOM 1571 NZ LYS A 109 -16.823 -0.823 -6.163 1.00 0.00 N ATOM 0 H LYS A 109 -13.379 -4.399 -1.624 1.00 0.00 H new ATOM 0 HA LYS A 109 -13.077 -3.772 -4.535 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -14.940 -2.370 -3.455 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.717 -1.684 -2.405 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -12.717 -0.474 -4.120 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -13.015 -1.717 -5.318 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.396 -0.250 -4.152 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.411 0.580 -5.341 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -14.897 -0.994 -7.050 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.282 -2.269 -5.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -17.287 -1.361 -6.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -17.281 -1.040 -5.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -16.907 0.195 -6.359 1.00 0.00 H new ATOM 1585 N LEU A 110 -10.903 -2.372 -3.839 1.00 0.00 N ATOM 1586 CA LEU A 110 -9.501 -2.089 -3.452 1.00 0.00 C ATOM 1587 C LEU A 110 -9.135 -0.643 -3.784 1.00 0.00 C ATOM 1588 O LEU A 110 -8.394 -0.389 -4.711 1.00 0.00 O ATOM 1589 CB LEU A 110 -8.566 -3.024 -4.219 1.00 0.00 C ATOM 1590 CG LEU A 110 -7.116 -2.953 -3.678 1.00 0.00 C ATOM 1591 CD1 LEU A 110 -6.237 -2.208 -4.683 1.00 0.00 C ATOM 1592 CD2 LEU A 110 -7.055 -2.243 -2.318 1.00 0.00 C ATOM 0 H LEU A 110 -11.223 -1.926 -4.698 1.00 0.00 H new ATOM 0 HA LEU A 110 -9.397 -2.246 -2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.933 -4.048 -4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -8.573 -2.759 -5.276 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.754 -3.972 -3.542 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.216 -2.156 -4.305 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.245 -2.737 -5.636 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -6.623 -1.199 -4.825 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.023 -2.212 -1.970 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.434 -1.226 -2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.665 -2.786 -1.596 1.00 0.00 H new ATOM 1604 N LEU A 111 -9.614 0.312 -3.037 1.00 0.00 N ATOM 1605 CA LEU A 111 -9.225 1.714 -3.345 1.00 0.00 C ATOM 1606 C LEU A 111 -7.697 1.735 -3.383 1.00 0.00 C ATOM 1607 O LEU A 111 -7.101 1.791 -4.440 1.00 0.00 O ATOM 1608 CB LEU A 111 -9.755 2.685 -2.279 1.00 0.00 C ATOM 1609 CG LEU A 111 -10.036 1.954 -0.962 1.00 0.00 C ATOM 1610 CD1 LEU A 111 -9.807 2.913 0.207 1.00 0.00 C ATOM 1611 CD2 LEU A 111 -11.492 1.479 -0.937 1.00 0.00 C ATOM 0 H LEU A 111 -10.244 0.187 -2.244 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.651 2.036 -4.295 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -9.027 3.479 -2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -10.668 3.161 -2.637 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.369 1.096 -0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -10.006 2.396 1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -8.774 3.260 0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -10.478 3.767 0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -11.689 0.959 0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -12.157 2.339 -1.022 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -11.668 0.800 -1.772 1.00 0.00 H new ATOM 1623 N GLU A 112 -7.073 1.637 -2.235 1.00 0.00 N ATOM 1624 CA GLU A 112 -5.573 1.584 -2.169 1.00 0.00 C ATOM 1625 C GLU A 112 -4.966 2.968 -1.975 1.00 0.00 C ATOM 1626 O GLU A 112 -5.608 3.981 -2.163 1.00 0.00 O ATOM 1627 CB GLU A 112 -4.977 0.969 -3.444 1.00 0.00 C ATOM 1628 CG GLU A 112 -3.706 0.195 -3.089 1.00 0.00 C ATOM 1629 CD GLU A 112 -2.552 0.672 -3.975 1.00 0.00 C ATOM 1630 OE1 GLU A 112 -2.821 1.379 -4.933 1.00 0.00 O ATOM 1631 OE2 GLU A 112 -1.421 0.325 -3.679 1.00 0.00 O ATOM 0 H GLU A 112 -7.541 1.591 -1.330 1.00 0.00 H new ATOM 0 HA GLU A 112 -5.329 0.959 -1.310 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.702 0.304 -3.913 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.749 1.753 -4.167 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -3.458 0.345 -2.038 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -3.868 -0.874 -3.229 1.00 0.00 H new ATOM 1638 N SER A 113 -3.708 2.984 -1.616 1.00 0.00 N ATOM 1639 CA SER A 113 -2.951 4.249 -1.401 1.00 0.00 C ATOM 1640 C SER A 113 -3.864 5.404 -0.973 1.00 0.00 C ATOM 1641 O SER A 113 -4.578 5.989 -1.761 1.00 0.00 O ATOM 1642 CB SER A 113 -2.218 4.617 -2.692 1.00 0.00 C ATOM 1643 OG SER A 113 -2.865 5.714 -3.318 1.00 0.00 O ATOM 0 H SER A 113 -3.157 2.140 -1.458 1.00 0.00 H new ATOM 0 HA SER A 113 -2.239 4.084 -0.592 1.00 0.00 H new ATOM 0 HB2 SER A 113 -1.181 4.872 -2.472 1.00 0.00 H new ATOM 0 HB3 SER A 113 -2.199 3.761 -3.367 1.00 0.00 H new ATOM 0 HG SER A 113 -3.836 5.618 -3.225 1.00 0.00 H new ATOM 1649 N LYS A 114 -3.803 5.756 0.281 1.00 0.00 N ATOM 1650 CA LYS A 114 -4.613 6.888 0.798 1.00 0.00 C ATOM 1651 C LYS A 114 -3.646 7.854 1.491 1.00 0.00 C ATOM 1652 O LYS A 114 -3.529 7.865 2.700 1.00 0.00 O ATOM 1653 CB LYS A 114 -5.637 6.369 1.811 1.00 0.00 C ATOM 1654 CG LYS A 114 -7.004 6.993 1.517 1.00 0.00 C ATOM 1655 CD LYS A 114 -7.255 8.152 2.483 1.00 0.00 C ATOM 1656 CE LYS A 114 -7.768 9.364 1.701 1.00 0.00 C ATOM 1657 NZ LYS A 114 -9.087 9.039 1.089 1.00 0.00 N ATOM 0 H LYS A 114 -3.216 5.298 0.978 1.00 0.00 H new ATOM 0 HA LYS A 114 -5.149 7.385 -0.010 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.701 5.282 1.755 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.321 6.618 2.824 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.039 7.350 0.488 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.788 6.243 1.621 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -7.983 7.858 3.239 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.335 8.407 3.009 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.865 10.224 2.364 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -7.053 9.639 0.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -9.514 9.905 0.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.954 8.348 0.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -9.716 8.636 1.813 1.00 0.00 H new ATOM 1671 N CYS A 115 -2.926 8.640 0.734 1.00 0.00 N ATOM 1672 CA CYS A 115 -1.943 9.579 1.366 1.00 0.00 C ATOM 1673 C CYS A 115 -2.527 10.981 1.427 1.00 0.00 C ATOM 1674 O CYS A 115 -3.468 11.313 0.732 1.00 0.00 O ATOM 1675 CB CYS A 115 -0.607 9.621 0.589 1.00 0.00 C ATOM 1676 SG CYS A 115 -0.635 8.479 -0.819 1.00 0.00 S ATOM 0 H CYS A 115 -2.972 8.675 -0.284 1.00 0.00 H new ATOM 0 HA CYS A 115 -1.743 9.211 2.372 1.00 0.00 H new ATOM 0 HB2 CYS A 115 -0.420 10.635 0.235 1.00 0.00 H new ATOM 0 HB3 CYS A 115 0.214 9.360 1.257 1.00 0.00 H new ATOM 1681 N GLN A 116 -1.972 11.804 2.266 1.00 0.00 N ATOM 1682 CA GLN A 116 -2.485 13.195 2.393 1.00 0.00 C ATOM 1683 C GLN A 116 -1.463 14.053 3.140 1.00 0.00 C ATOM 1684 CB GLN A 116 -3.805 13.178 3.167 1.00 0.00 C ATOM 1685 CG GLN A 116 -4.419 14.578 3.161 1.00 0.00 C ATOM 1686 CD GLN A 116 -5.000 14.886 4.541 1.00 0.00 C ATOM 1687 OE1 GLN A 116 -5.129 14.004 5.368 1.00 0.00 O ATOM 1688 NE2 GLN A 116 -5.357 16.106 4.829 1.00 0.00 N ATOM 0 H GLN A 116 -1.184 11.575 2.871 1.00 0.00 H new ATOM 0 HA GLN A 116 -2.649 13.615 1.401 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -4.495 12.465 2.715 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -3.633 12.849 4.192 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -3.662 15.318 2.900 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -5.200 14.641 2.404 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -5.249 16.846 4.136 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -5.744 16.321 5.748 1.00 0.00 H new TER 1697 GLN A 116