USER MOD reduce.3.24.130724 H: found=0, std=0, add=883, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 883 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 43 THR OG1 : rot 180:sc= 1.09 USER MOD Set 1.2: A 46 THR OG1 : rot 96:sc= 1.25 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0278 (180deg=-0.241) USER MOD Single : A 2 THR OG1 : rot 39:sc= 0.0128 USER MOD Single : A 3 LYS NZ :NH3+ 171:sc=-0.00595 (180deg=-0.0927) USER MOD Single : A 4 ASN : amide:sc= 0.716 K(o=0.72,f=-6.2!) USER MOD Single : A 5 THR OG1 : rot -140:sc= -2.47! USER MOD Single : A 8 SER OG : rot 180:sc= 0.0374 USER MOD Single : A 13 GLN : amide:sc= 0.924 K(o=0.92,f=-4.1!) USER MOD Single : A 18 MET CE :methyl -159:sc= -0.239 (180deg=-0.725) USER MOD Single : A 22 SER OG : rot 77:sc= 0.988 USER MOD Single : A 23 GLN : amide:sc= -1.15 X(o=-1.2,f=-1.2) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 32 THR OG1 : rot 180:sc=-0.00371 USER MOD Single : A 34 CYS SG : rot -24:sc= 0.0675 USER MOD Single : A 35 SER OG : rot 71:sc= 1.23 USER MOD Single : A 39 LYS NZ :NH3+ 164:sc= -1.23 (180deg=-1.9!) USER MOD Single : A 42 CYS SG : rot 170:sc= -0.109 USER MOD Single : A 53 GLN : amide:sc= -0.436 K(o=-0.44,f=-8.7!) USER MOD Single : A 54 HIS : no HD1:sc= -0.416 X(o=-0.42,f=-0.42) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc=0.000919 USER MOD Single : A 71 GLN : amide:sc= -0.0983 X(o=-0.098,f=-0.25) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.232 X(o=-0.23,f=-0.36) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 169:sc= -0.0132 (180deg=-0.13) USER MOD Single : A 107 LYS NZ :NH3+ 162:sc= -0.0624 (180deg=-0.367) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.441 -25.776 5.410 1.00 0.00 N ATOM 2 CA MET A 1 10.225 -26.321 6.055 1.00 0.00 C ATOM 3 C MET A 1 9.576 -25.274 6.947 1.00 0.00 C ATOM 4 O MET A 1 8.351 -25.216 7.049 1.00 0.00 O ATOM 5 CB MET A 1 10.549 -27.575 6.873 1.00 0.00 C ATOM 6 CG MET A 1 11.034 -28.743 6.029 1.00 0.00 C ATOM 7 SD MET A 1 9.815 -29.288 4.815 1.00 0.00 S ATOM 8 CE MET A 1 10.749 -30.564 3.966 1.00 0.00 C ATOM 0 H1 MET A 1 11.744 -26.414 4.647 1.00 0.00 H new ATOM 0 H2 MET A 1 11.233 -24.837 5.015 1.00 0.00 H new ATOM 0 H3 MET A 1 12.201 -25.694 6.115 1.00 0.00 H new ATOM 0 HA MET A 1 9.526 -26.595 5.265 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.312 -27.330 7.612 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.659 -27.880 7.423 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.950 -28.456 5.513 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.285 -29.578 6.683 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.134 -31.003 3.181 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.644 -30.126 3.524 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.037 -31.338 4.677 1.00 0.00 H new ATOM 20 N THR A 2 10.399 -24.447 7.585 1.00 0.00 N ATOM 21 CA THR A 2 9.900 -23.401 8.462 1.00 0.00 C ATOM 22 C THR A 2 9.103 -22.362 7.672 1.00 0.00 C ATOM 23 O THR A 2 9.577 -21.828 6.668 1.00 0.00 O ATOM 24 CB THR A 2 11.057 -22.719 9.220 1.00 0.00 C ATOM 25 OG1 THR A 2 12.132 -22.416 8.316 1.00 0.00 O ATOM 26 CG2 THR A 2 11.572 -23.611 10.341 1.00 0.00 C ATOM 0 H THR A 2 11.415 -24.484 7.509 1.00 0.00 H new ATOM 0 HA THR A 2 9.236 -23.867 9.191 1.00 0.00 H new ATOM 0 HB THR A 2 10.677 -21.795 9.655 1.00 0.00 H new ATOM 0 HG1 THR A 2 11.764 -22.104 7.463 1.00 0.00 H new ATOM 0 HG21 THR A 2 12.388 -23.108 10.861 1.00 0.00 H new ATOM 0 HG22 THR A 2 10.764 -23.815 11.044 1.00 0.00 H new ATOM 0 HG23 THR A 2 11.933 -24.550 9.922 1.00 0.00 H new ATOM 34 N LYS A 3 7.882 -22.095 8.117 1.00 0.00 N ATOM 35 CA LYS A 3 6.984 -21.200 7.399 1.00 0.00 C ATOM 36 C LYS A 3 7.035 -19.789 7.980 1.00 0.00 C ATOM 37 O LYS A 3 6.572 -19.551 9.096 1.00 0.00 O ATOM 38 CB LYS A 3 5.549 -21.738 7.452 1.00 0.00 C ATOM 39 CG LYS A 3 5.399 -23.154 6.914 1.00 0.00 C ATOM 40 CD LYS A 3 5.806 -23.245 5.451 1.00 0.00 C ATOM 41 CE LYS A 3 5.737 -24.675 4.936 1.00 0.00 C ATOM 42 NZ LYS A 3 4.359 -25.227 4.994 1.00 0.00 N ATOM 0 H LYS A 3 7.490 -22.486 8.974 1.00 0.00 H new ATOM 0 HA LYS A 3 7.311 -21.153 6.360 1.00 0.00 H new ATOM 0 HB2 LYS A 3 5.201 -21.714 8.485 1.00 0.00 H new ATOM 0 HB3 LYS A 3 4.901 -21.073 6.881 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.011 -23.835 7.505 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.364 -23.478 7.025 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.153 -22.610 4.851 1.00 0.00 H new ATOM 0 HD3 LYS A 3 6.820 -22.863 5.331 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.096 -24.706 3.907 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.404 -25.304 5.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.329 -26.140 4.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.082 -25.365 5.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.700 -24.563 4.539 1.00 0.00 H new ATOM 56 N ASN A 4 7.626 -18.867 7.214 1.00 0.00 N ATOM 57 CA ASN A 4 7.703 -17.448 7.588 1.00 0.00 C ATOM 58 C ASN A 4 8.493 -17.263 8.889 1.00 0.00 C ATOM 59 O ASN A 4 8.353 -16.257 9.586 1.00 0.00 O ATOM 60 CB ASN A 4 6.290 -16.849 7.713 1.00 0.00 C ATOM 61 CG ASN A 4 6.287 -15.329 7.841 1.00 0.00 C ATOM 62 OD1 ASN A 4 7.192 -14.644 7.358 1.00 0.00 O ATOM 63 ND2 ASN A 4 5.253 -14.795 8.476 1.00 0.00 N ATOM 0 H ASN A 4 8.064 -19.081 6.318 1.00 0.00 H new ATOM 0 HA ASN A 4 8.234 -16.915 6.799 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.704 -17.134 6.839 1.00 0.00 H new ATOM 0 HB3 ASN A 4 5.796 -17.281 8.583 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.185 -13.782 8.579 1.00 0.00 H new ATOM 0 HD22 ASN A 4 4.525 -15.397 8.861 1.00 0.00 H new ATOM 70 N THR A 5 9.344 -18.229 9.198 1.00 0.00 N ATOM 71 CA THR A 5 10.180 -18.152 10.378 1.00 0.00 C ATOM 72 C THR A 5 11.338 -17.186 10.147 1.00 0.00 C ATOM 73 O THR A 5 12.335 -17.527 9.503 1.00 0.00 O ATOM 74 CB THR A 5 10.721 -19.538 10.756 1.00 0.00 C ATOM 75 OG1 THR A 5 9.645 -20.485 10.747 1.00 0.00 O ATOM 76 CG2 THR A 5 11.368 -19.515 12.131 1.00 0.00 C ATOM 0 H THR A 5 9.471 -19.076 8.644 1.00 0.00 H new ATOM 0 HA THR A 5 9.569 -17.783 11.202 1.00 0.00 H new ATOM 0 HB THR A 5 11.478 -19.826 10.027 1.00 0.00 H new ATOM 0 HG1 THR A 5 9.745 -21.101 11.503 1.00 0.00 H new ATOM 0 HG21 THR A 5 11.743 -20.509 12.374 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.195 -18.805 12.132 1.00 0.00 H new ATOM 0 HG23 THR A 5 10.631 -19.214 12.875 1.00 0.00 H new ATOM 84 N ARG A 6 11.176 -15.967 10.643 1.00 0.00 N ATOM 85 CA ARG A 6 12.165 -14.918 10.467 1.00 0.00 C ATOM 86 C ARG A 6 12.135 -13.960 11.653 1.00 0.00 C ATOM 87 O ARG A 6 11.408 -14.188 12.624 1.00 0.00 O ATOM 88 CB ARG A 6 11.895 -14.149 9.168 1.00 0.00 C ATOM 89 CG ARG A 6 10.473 -13.620 9.067 1.00 0.00 C ATOM 90 CD ARG A 6 10.258 -12.808 7.801 1.00 0.00 C ATOM 91 NE ARG A 6 8.851 -12.446 7.628 1.00 0.00 N ATOM 92 CZ ARG A 6 8.401 -11.193 7.556 1.00 0.00 C ATOM 93 NH1 ARG A 6 9.245 -10.171 7.655 1.00 0.00 N ATOM 94 NH2 ARG A 6 7.101 -10.965 7.396 1.00 0.00 N ATOM 0 H ARG A 6 10.356 -15.680 11.177 1.00 0.00 H new ATOM 0 HA ARG A 6 13.152 -15.377 10.409 1.00 0.00 H new ATOM 0 HB2 ARG A 6 12.592 -13.314 9.097 1.00 0.00 H new ATOM 0 HB3 ARG A 6 12.093 -14.803 8.319 1.00 0.00 H new ATOM 0 HG2 ARG A 6 9.773 -14.455 9.086 1.00 0.00 H new ATOM 0 HG3 ARG A 6 10.254 -13.001 9.937 1.00 0.00 H new ATOM 0 HD2 ARG A 6 10.865 -11.904 7.840 1.00 0.00 H new ATOM 0 HD3 ARG A 6 10.596 -13.382 6.938 1.00 0.00 H new ATOM 0 HE ARG A 6 8.170 -13.202 7.558 1.00 0.00 H new ATOM 0 HH11 ARG A 6 10.242 -10.344 7.787 1.00 0.00 H new ATOM 0 HH12 ARG A 6 8.896 -9.214 7.599 1.00 0.00 H new ATOM 0 HH21 ARG A 6 6.450 -11.748 7.329 1.00 0.00 H new ATOM 0 HH22 ARG A 6 6.754 -10.007 7.341 1.00 0.00 H new ATOM 108 N PHE A 7 12.919 -12.895 11.564 1.00 0.00 N ATOM 109 CA PHE A 7 12.945 -11.871 12.601 1.00 0.00 C ATOM 110 C PHE A 7 11.718 -10.968 12.500 1.00 0.00 C ATOM 111 O PHE A 7 11.035 -10.939 11.471 1.00 0.00 O ATOM 112 CB PHE A 7 14.218 -11.027 12.493 1.00 0.00 C ATOM 113 CG PHE A 7 15.485 -11.809 12.712 1.00 0.00 C ATOM 114 CD1 PHE A 7 15.940 -12.071 13.994 1.00 0.00 C ATOM 115 CD2 PHE A 7 16.220 -12.277 11.636 1.00 0.00 C ATOM 116 CE1 PHE A 7 17.105 -12.787 14.199 1.00 0.00 C ATOM 117 CE2 PHE A 7 17.387 -12.995 11.834 1.00 0.00 C ATOM 118 CZ PHE A 7 17.829 -13.250 13.119 1.00 0.00 C ATOM 0 H PHE A 7 13.548 -12.716 10.781 1.00 0.00 H new ATOM 0 HA PHE A 7 12.934 -12.373 13.568 1.00 0.00 H new ATOM 0 HB2 PHE A 7 14.253 -10.564 11.507 1.00 0.00 H new ATOM 0 HB3 PHE A 7 14.170 -10.219 13.223 1.00 0.00 H new ATOM 0 HD1 PHE A 7 15.378 -11.712 14.843 1.00 0.00 H new ATOM 0 HD2 PHE A 7 15.879 -12.080 10.630 1.00 0.00 H new ATOM 0 HE1 PHE A 7 17.448 -12.984 15.204 1.00 0.00 H new ATOM 0 HE2 PHE A 7 17.951 -13.355 10.986 1.00 0.00 H new ATOM 0 HZ PHE A 7 18.739 -13.810 13.277 1.00 0.00 H new ATOM 128 N SER A 8 11.447 -10.231 13.566 1.00 0.00 N ATOM 129 CA SER A 8 10.301 -9.340 13.616 1.00 0.00 C ATOM 130 C SER A 8 10.602 -8.019 12.907 1.00 0.00 C ATOM 131 O SER A 8 11.712 -7.487 13.010 1.00 0.00 O ATOM 132 CB SER A 8 9.912 -9.097 15.074 1.00 0.00 C ATOM 133 OG SER A 8 11.053 -8.775 15.849 1.00 0.00 O ATOM 0 H SER A 8 12.012 -10.234 14.415 1.00 0.00 H new ATOM 0 HA SER A 8 9.465 -9.808 13.095 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.186 -8.286 15.132 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.429 -9.986 15.480 1.00 0.00 H new ATOM 0 HG SER A 8 10.784 -8.621 16.779 1.00 0.00 H new ATOM 139 N PRO A 9 9.619 -7.477 12.167 1.00 0.00 N ATOM 140 CA PRO A 9 9.792 -6.233 11.413 1.00 0.00 C ATOM 141 C PRO A 9 10.141 -5.049 12.309 1.00 0.00 C ATOM 142 O PRO A 9 11.092 -4.322 12.035 1.00 0.00 O ATOM 143 CB PRO A 9 8.429 -6.012 10.745 1.00 0.00 C ATOM 144 CG PRO A 9 7.473 -6.863 11.506 1.00 0.00 C ATOM 145 CD PRO A 9 8.268 -8.036 11.999 1.00 0.00 C ATOM 0 HA PRO A 9 10.618 -6.309 10.705 1.00 0.00 H new ATOM 0 HB2 PRO A 9 8.138 -4.962 10.784 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.456 -6.296 9.693 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.035 -6.311 12.338 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.649 -7.189 10.871 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.873 -8.425 12.938 1.00 0.00 H new ATOM 0 HD3 PRO A 9 8.258 -8.859 11.284 1.00 0.00 H new ATOM 153 N GLU A 10 9.378 -4.881 13.387 1.00 0.00 N ATOM 154 CA GLU A 10 9.555 -3.760 14.304 1.00 0.00 C ATOM 155 C GLU A 10 10.986 -3.686 14.834 1.00 0.00 C ATOM 156 O GLU A 10 11.629 -2.637 14.758 1.00 0.00 O ATOM 157 CB GLU A 10 8.567 -3.876 15.465 1.00 0.00 C ATOM 158 CG GLU A 10 8.669 -2.740 16.466 1.00 0.00 C ATOM 159 CD GLU A 10 7.572 -2.785 17.504 1.00 0.00 C ATOM 160 OE1 GLU A 10 7.750 -3.457 18.538 1.00 0.00 O ATOM 161 OE2 GLU A 10 6.519 -2.148 17.286 1.00 0.00 O ATOM 0 H GLU A 10 8.623 -5.516 13.648 1.00 0.00 H new ATOM 0 HA GLU A 10 9.360 -2.841 13.752 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.553 -3.908 15.066 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.736 -4.821 15.982 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.638 -2.784 16.963 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.625 -1.788 15.937 1.00 0.00 H new ATOM 168 N VAL A 11 11.482 -4.802 15.359 1.00 0.00 N ATOM 169 CA VAL A 11 12.823 -4.846 15.923 1.00 0.00 C ATOM 170 C VAL A 11 13.876 -4.570 14.852 1.00 0.00 C ATOM 171 O VAL A 11 14.844 -3.853 15.101 1.00 0.00 O ATOM 172 CB VAL A 11 13.105 -6.203 16.606 1.00 0.00 C ATOM 173 CG1 VAL A 11 14.532 -6.269 17.135 1.00 0.00 C ATOM 174 CG2 VAL A 11 12.116 -6.442 17.736 1.00 0.00 C ATOM 0 H VAL A 11 10.975 -5.686 15.405 1.00 0.00 H new ATOM 0 HA VAL A 11 12.881 -4.064 16.681 1.00 0.00 H new ATOM 0 HB VAL A 11 12.985 -6.986 15.857 1.00 0.00 H new ATOM 0 HG11 VAL A 11 14.700 -7.236 17.610 1.00 0.00 H new ATOM 0 HG12 VAL A 11 15.232 -6.144 16.309 1.00 0.00 H new ATOM 0 HG13 VAL A 11 14.687 -5.474 17.865 1.00 0.00 H new ATOM 0 HG21 VAL A 11 12.327 -7.402 18.208 1.00 0.00 H new ATOM 0 HG22 VAL A 11 12.209 -5.646 18.475 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.102 -6.450 17.336 1.00 0.00 H new ATOM 184 N ARG A 12 13.668 -5.113 13.655 1.00 0.00 N ATOM 185 CA ARG A 12 14.601 -4.914 12.552 1.00 0.00 C ATOM 186 C ARG A 12 14.674 -3.438 12.165 1.00 0.00 C ATOM 187 O ARG A 12 15.760 -2.871 12.054 1.00 0.00 O ATOM 188 CB ARG A 12 14.185 -5.742 11.336 1.00 0.00 C ATOM 189 CG ARG A 12 15.201 -5.699 10.207 1.00 0.00 C ATOM 190 CD ARG A 12 14.662 -6.340 8.940 1.00 0.00 C ATOM 191 NE ARG A 12 13.568 -5.562 8.358 1.00 0.00 N ATOM 192 CZ ARG A 12 12.756 -6.012 7.403 1.00 0.00 C ATOM 193 NH1 ARG A 12 12.913 -7.234 6.907 1.00 0.00 N ATOM 194 NH2 ARG A 12 11.795 -5.237 6.925 1.00 0.00 N ATOM 0 H ARG A 12 12.862 -5.694 13.425 1.00 0.00 H new ATOM 0 HA ARG A 12 15.586 -5.242 12.885 1.00 0.00 H new ATOM 0 HB2 ARG A 12 14.036 -6.777 11.643 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.226 -5.378 10.967 1.00 0.00 H new ATOM 0 HG2 ARG A 12 15.474 -4.664 10.003 1.00 0.00 H new ATOM 0 HG3 ARG A 12 16.111 -6.214 10.516 1.00 0.00 H new ATOM 0 HD2 ARG A 12 15.467 -6.436 8.211 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.312 -7.348 9.164 1.00 0.00 H new ATOM 0 HE ARG A 12 13.418 -4.615 8.706 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.659 -7.835 7.257 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.287 -7.572 6.176 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.674 -4.291 7.288 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.175 -5.585 6.194 1.00 0.00 H new ATOM 208 N GLN A 13 13.511 -2.818 11.969 1.00 0.00 N ATOM 209 CA GLN A 13 13.455 -1.418 11.561 1.00 0.00 C ATOM 210 C GLN A 13 14.053 -0.521 12.637 1.00 0.00 C ATOM 211 O GLN A 13 14.798 0.413 12.338 1.00 0.00 O ATOM 212 CB GLN A 13 12.012 -0.989 11.270 1.00 0.00 C ATOM 213 CG GLN A 13 11.297 -1.868 10.255 1.00 0.00 C ATOM 214 CD GLN A 13 12.049 -1.999 8.942 1.00 0.00 C ATOM 215 OE1 GLN A 13 12.870 -2.903 8.769 1.00 0.00 O ATOM 216 NE2 GLN A 13 11.768 -1.107 8.011 1.00 0.00 N ATOM 0 H GLN A 13 12.600 -3.262 12.086 1.00 0.00 H new ATOM 0 HA GLN A 13 14.040 -1.314 10.647 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.447 -0.995 12.202 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.016 0.039 10.906 1.00 0.00 H new ATOM 0 HG2 GLN A 13 11.150 -2.860 10.683 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.307 -1.455 10.060 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.082 -0.375 8.196 1.00 0.00 H new ATOM 0 HE22 GLN A 13 12.237 -1.149 7.106 1.00 0.00 H new ATOM 225 N ARG A 14 13.726 -0.820 13.889 1.00 0.00 N ATOM 226 CA ARG A 14 14.236 -0.055 15.020 1.00 0.00 C ATOM 227 C ARG A 14 15.751 -0.225 15.129 1.00 0.00 C ATOM 228 O ARG A 14 16.467 0.719 15.463 1.00 0.00 O ATOM 229 CB ARG A 14 13.534 -0.507 16.310 1.00 0.00 C ATOM 230 CG ARG A 14 13.822 0.353 17.536 1.00 0.00 C ATOM 231 CD ARG A 14 15.093 -0.080 18.249 1.00 0.00 C ATOM 232 NE ARG A 14 15.266 0.611 19.523 1.00 0.00 N ATOM 233 CZ ARG A 14 15.413 -0.014 20.691 1.00 0.00 C ATOM 234 NH1 ARG A 14 15.425 -1.343 20.736 1.00 0.00 N ATOM 235 NH2 ARG A 14 15.561 0.685 21.807 1.00 0.00 N ATOM 0 H ARG A 14 13.108 -1.589 14.147 1.00 0.00 H new ATOM 0 HA ARG A 14 14.026 1.004 14.867 1.00 0.00 H new ATOM 0 HB2 ARG A 14 12.458 -0.516 16.136 1.00 0.00 H new ATOM 0 HB3 ARG A 14 13.831 -1.533 16.527 1.00 0.00 H new ATOM 0 HG2 ARG A 14 13.913 1.396 17.234 1.00 0.00 H new ATOM 0 HG3 ARG A 14 12.981 0.294 18.226 1.00 0.00 H new ATOM 0 HD2 ARG A 14 15.064 -1.156 18.421 1.00 0.00 H new ATOM 0 HD3 ARG A 14 15.953 0.118 17.609 1.00 0.00 H new ATOM 0 HE ARG A 14 15.275 1.631 19.519 1.00 0.00 H new ATOM 0 HH11 ARG A 14 15.322 -1.883 19.877 1.00 0.00 H new ATOM 0 HH12 ARG A 14 15.537 -1.822 21.629 1.00 0.00 H new ATOM 0 HH21 ARG A 14 15.563 1.704 21.774 1.00 0.00 H new ATOM 0 HH22 ARG A 14 15.673 0.204 22.699 1.00 0.00 H new ATOM 249 N ALA A 15 16.228 -1.432 14.837 1.00 0.00 N ATOM 250 CA ALA A 15 17.658 -1.721 14.853 1.00 0.00 C ATOM 251 C ALA A 15 18.393 -0.853 13.844 1.00 0.00 C ATOM 252 O ALA A 15 19.337 -0.145 14.191 1.00 0.00 O ATOM 253 CB ALA A 15 17.911 -3.195 14.562 1.00 0.00 C ATOM 0 H ALA A 15 15.642 -2.228 14.586 1.00 0.00 H new ATOM 0 HA ALA A 15 18.038 -1.493 15.849 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.983 -3.390 14.578 1.00 0.00 H new ATOM 0 HB2 ALA A 15 17.419 -3.805 15.320 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.512 -3.446 13.579 1.00 0.00 H new ATOM 259 N VAL A 16 17.941 -0.902 12.597 1.00 0.00 N ATOM 260 CA VAL A 16 18.545 -0.115 11.527 1.00 0.00 C ATOM 261 C VAL A 16 18.462 1.377 11.845 1.00 0.00 C ATOM 262 O VAL A 16 19.372 2.146 11.530 1.00 0.00 O ATOM 263 CB VAL A 16 17.862 -0.386 10.166 1.00 0.00 C ATOM 264 CG1 VAL A 16 18.519 0.421 9.053 1.00 0.00 C ATOM 265 CG2 VAL A 16 17.898 -1.873 9.838 1.00 0.00 C ATOM 0 H VAL A 16 17.155 -1.481 12.300 1.00 0.00 H new ATOM 0 HA VAL A 16 19.590 -0.416 11.456 1.00 0.00 H new ATOM 0 HB VAL A 16 16.821 -0.071 10.242 1.00 0.00 H new ATOM 0 HG11 VAL A 16 18.019 0.211 8.107 1.00 0.00 H new ATOM 0 HG12 VAL A 16 18.438 1.484 9.278 1.00 0.00 H new ATOM 0 HG13 VAL A 16 19.571 0.146 8.976 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.413 -2.045 8.877 1.00 0.00 H new ATOM 0 HG22 VAL A 16 18.934 -2.209 9.787 1.00 0.00 H new ATOM 0 HG23 VAL A 16 17.373 -2.430 10.614 1.00 0.00 H new ATOM 275 N ARG A 17 17.369 1.778 12.483 1.00 0.00 N ATOM 276 CA ARG A 17 17.183 3.166 12.874 1.00 0.00 C ATOM 277 C ARG A 17 18.255 3.580 13.878 1.00 0.00 C ATOM 278 O ARG A 17 18.909 4.607 13.705 1.00 0.00 O ATOM 279 CB ARG A 17 15.798 3.374 13.484 1.00 0.00 C ATOM 280 CG ARG A 17 15.413 4.838 13.621 1.00 0.00 C ATOM 281 CD ARG A 17 14.158 5.008 14.458 1.00 0.00 C ATOM 282 NE ARG A 17 13.617 6.361 14.361 1.00 0.00 N ATOM 283 CZ ARG A 17 13.933 7.353 15.193 1.00 0.00 C ATOM 284 NH1 ARG A 17 14.855 7.177 16.130 1.00 0.00 N ATOM 285 NH2 ARG A 17 13.347 8.535 15.066 1.00 0.00 N ATOM 0 H ARG A 17 16.599 1.160 12.740 1.00 0.00 H new ATOM 0 HA ARG A 17 17.269 3.786 11.981 1.00 0.00 H new ATOM 0 HB2 ARG A 17 15.057 2.867 12.866 1.00 0.00 H new ATOM 0 HB3 ARG A 17 15.768 2.904 14.467 1.00 0.00 H new ATOM 0 HG2 ARG A 17 16.234 5.390 14.079 1.00 0.00 H new ATOM 0 HG3 ARG A 17 15.253 5.267 12.632 1.00 0.00 H new ATOM 0 HD2 ARG A 17 13.404 4.292 14.131 1.00 0.00 H new ATOM 0 HD3 ARG A 17 14.383 4.781 15.500 1.00 0.00 H new ATOM 0 HE ARG A 17 12.956 6.559 13.610 1.00 0.00 H new ATOM 0 HH11 ARG A 17 15.328 6.277 16.218 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.091 7.941 16.763 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.655 8.685 14.332 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.588 9.295 15.702 1.00 0.00 H new ATOM 299 N MET A 18 18.443 2.760 14.912 1.00 0.00 N ATOM 300 CA MET A 18 19.434 3.044 15.946 1.00 0.00 C ATOM 301 C MET A 18 20.838 3.098 15.354 1.00 0.00 C ATOM 302 O MET A 18 21.694 3.853 15.824 1.00 0.00 O ATOM 303 CB MET A 18 19.370 1.996 17.057 1.00 0.00 C ATOM 304 CG MET A 18 20.383 2.231 18.167 1.00 0.00 C ATOM 305 SD MET A 18 20.247 1.038 19.512 1.00 0.00 S ATOM 306 CE MET A 18 18.596 1.384 20.109 1.00 0.00 C ATOM 0 H MET A 18 17.922 1.895 15.054 1.00 0.00 H new ATOM 0 HA MET A 18 19.203 4.020 16.373 1.00 0.00 H new ATOM 0 HB2 MET A 18 18.368 1.991 17.485 1.00 0.00 H new ATOM 0 HB3 MET A 18 19.537 1.009 16.626 1.00 0.00 H new ATOM 0 HG2 MET A 18 21.389 2.185 17.749 1.00 0.00 H new ATOM 0 HG3 MET A 18 20.249 3.236 18.566 1.00 0.00 H new ATOM 0 HE1 MET A 18 18.495 1.021 21.132 1.00 0.00 H new ATOM 0 HE2 MET A 18 18.419 2.459 20.087 1.00 0.00 H new ATOM 0 HE3 MET A 18 17.867 0.883 19.473 1.00 0.00 H new ATOM 316 N VAL A 19 21.070 2.299 14.321 1.00 0.00 N ATOM 317 CA VAL A 19 22.342 2.321 13.613 1.00 0.00 C ATOM 318 C VAL A 19 22.578 3.697 13.003 1.00 0.00 C ATOM 319 O VAL A 19 23.645 4.282 13.165 1.00 0.00 O ATOM 320 CB VAL A 19 22.408 1.247 12.505 1.00 0.00 C ATOM 321 CG1 VAL A 19 23.723 1.338 11.746 1.00 0.00 C ATOM 322 CG2 VAL A 19 22.238 -0.140 13.098 1.00 0.00 C ATOM 0 H VAL A 19 20.394 1.628 13.955 1.00 0.00 H new ATOM 0 HA VAL A 19 23.122 2.099 14.341 1.00 0.00 H new ATOM 0 HB VAL A 19 21.592 1.429 11.805 1.00 0.00 H new ATOM 0 HG11 VAL A 19 23.749 0.573 10.970 1.00 0.00 H new ATOM 0 HG12 VAL A 19 23.811 2.323 11.287 1.00 0.00 H new ATOM 0 HG13 VAL A 19 24.553 1.184 12.436 1.00 0.00 H new ATOM 0 HG21 VAL A 19 22.287 -0.884 12.303 1.00 0.00 H new ATOM 0 HG22 VAL A 19 23.033 -0.327 13.820 1.00 0.00 H new ATOM 0 HG23 VAL A 19 21.271 -0.206 13.598 1.00 0.00 H new ATOM 332 N LEU A 20 21.563 4.221 12.329 1.00 0.00 N ATOM 333 CA LEU A 20 21.647 5.547 11.727 1.00 0.00 C ATOM 334 C LEU A 20 21.794 6.614 12.809 1.00 0.00 C ATOM 335 O LEU A 20 22.611 7.531 12.689 1.00 0.00 O ATOM 336 CB LEU A 20 20.409 5.823 10.871 1.00 0.00 C ATOM 337 CG LEU A 20 20.187 4.843 9.716 1.00 0.00 C ATOM 338 CD1 LEU A 20 18.899 5.168 8.981 1.00 0.00 C ATOM 339 CD2 LEU A 20 21.366 4.868 8.754 1.00 0.00 C ATOM 0 H LEU A 20 20.671 3.748 12.185 1.00 0.00 H new ATOM 0 HA LEU A 20 22.527 5.581 11.085 1.00 0.00 H new ATOM 0 HB2 LEU A 20 19.530 5.807 11.515 1.00 0.00 H new ATOM 0 HB3 LEU A 20 20.486 6.831 10.462 1.00 0.00 H new ATOM 0 HG LEU A 20 20.105 3.839 10.133 1.00 0.00 H new ATOM 0 HD11 LEU A 20 18.758 4.461 8.164 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.058 5.097 9.671 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.954 6.180 8.580 1.00 0.00 H new ATOM 0 HD21 LEU A 20 21.187 4.164 7.941 1.00 0.00 H new ATOM 0 HD22 LEU A 20 21.481 5.872 8.346 1.00 0.00 H new ATOM 0 HD23 LEU A 20 22.275 4.585 9.285 1.00 0.00 H new ATOM 351 N GLU A 21 21.010 6.466 13.878 1.00 0.00 N ATOM 352 CA GLU A 21 21.098 7.355 15.035 1.00 0.00 C ATOM 353 C GLU A 21 22.535 7.421 15.547 1.00 0.00 C ATOM 354 O GLU A 21 23.046 8.491 15.870 1.00 0.00 O ATOM 355 CB GLU A 21 20.173 6.865 16.159 1.00 0.00 C ATOM 356 CG GLU A 21 18.692 6.945 15.823 1.00 0.00 C ATOM 357 CD GLU A 21 17.816 6.308 16.886 1.00 0.00 C ATOM 358 OE1 GLU A 21 17.910 6.710 18.064 1.00 0.00 O ATOM 359 OE2 GLU A 21 17.014 5.411 16.547 1.00 0.00 O ATOM 0 H GLU A 21 20.304 5.735 13.965 1.00 0.00 H new ATOM 0 HA GLU A 21 20.784 8.351 14.724 1.00 0.00 H new ATOM 0 HB2 GLU A 21 20.425 5.832 16.398 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.364 7.455 17.055 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.407 7.990 15.701 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.513 6.452 14.867 1.00 0.00 H new ATOM 366 N SER A 22 23.188 6.271 15.589 1.00 0.00 N ATOM 367 CA SER A 22 24.539 6.184 16.111 1.00 0.00 C ATOM 368 C SER A 22 25.582 6.517 15.041 1.00 0.00 C ATOM 369 O SER A 22 26.744 6.758 15.362 1.00 0.00 O ATOM 370 CB SER A 22 24.780 4.790 16.679 1.00 0.00 C ATOM 371 OG SER A 22 23.757 4.438 17.597 1.00 0.00 O ATOM 0 H SER A 22 22.802 5.384 15.267 1.00 0.00 H new ATOM 0 HA SER A 22 24.645 6.922 16.906 1.00 0.00 H new ATOM 0 HB2 SER A 22 24.814 4.062 15.868 1.00 0.00 H new ATOM 0 HB3 SER A 22 25.749 4.757 17.177 1.00 0.00 H new ATOM 0 HG SER A 22 22.948 4.187 17.105 1.00 0.00 H new ATOM 377 N GLN A 23 25.171 6.529 13.772 1.00 0.00 N ATOM 378 CA GLN A 23 26.066 6.947 12.689 1.00 0.00 C ATOM 379 C GLN A 23 26.275 8.450 12.726 1.00 0.00 C ATOM 380 O GLN A 23 27.284 8.963 12.237 1.00 0.00 O ATOM 381 CB GLN A 23 25.532 6.541 11.315 1.00 0.00 C ATOM 382 CG GLN A 23 25.734 5.075 10.973 1.00 0.00 C ATOM 383 CD GLN A 23 25.445 4.781 9.512 1.00 0.00 C ATOM 384 OE1 GLN A 23 25.622 5.638 8.646 1.00 0.00 O ATOM 385 NE2 GLN A 23 25.001 3.570 9.228 1.00 0.00 N ATOM 0 H GLN A 23 24.235 6.258 13.470 1.00 0.00 H new ATOM 0 HA GLN A 23 27.017 6.438 12.846 1.00 0.00 H new ATOM 0 HB2 GLN A 23 24.467 6.769 11.270 1.00 0.00 H new ATOM 0 HB3 GLN A 23 26.020 7.150 10.554 1.00 0.00 H new ATOM 0 HG2 GLN A 23 26.760 4.788 11.203 1.00 0.00 H new ATOM 0 HG3 GLN A 23 25.084 4.465 11.600 1.00 0.00 H new ATOM 0 HE21 GLN A 23 24.867 2.888 9.974 1.00 0.00 H new ATOM 0 HE22 GLN A 23 24.792 3.317 8.262 1.00 0.00 H new ATOM 394 N GLY A 24 25.302 9.154 13.284 1.00 0.00 N ATOM 395 CA GLY A 24 25.474 10.567 13.544 1.00 0.00 C ATOM 396 C GLY A 24 26.595 10.814 14.536 1.00 0.00 C ATOM 397 O GLY A 24 27.357 11.768 14.401 1.00 0.00 O ATOM 0 H GLY A 24 24.398 8.772 13.561 1.00 0.00 H new ATOM 0 HA2 GLY A 24 25.691 11.087 12.611 1.00 0.00 H new ATOM 0 HA3 GLY A 24 24.544 10.983 13.932 1.00 0.00 H new ATOM 401 N GLU A 25 26.701 9.925 15.518 1.00 0.00 N ATOM 402 CA GLU A 25 27.720 10.030 16.556 1.00 0.00 C ATOM 403 C GLU A 25 29.051 9.457 16.068 1.00 0.00 C ATOM 404 O GLU A 25 30.088 10.117 16.137 1.00 0.00 O ATOM 405 CB GLU A 25 27.260 9.289 17.813 1.00 0.00 C ATOM 406 CG GLU A 25 25.903 9.752 18.327 1.00 0.00 C ATOM 407 CD GLU A 25 25.445 8.983 19.551 1.00 0.00 C ATOM 408 OE1 GLU A 25 24.781 7.938 19.391 1.00 0.00 O ATOM 409 OE2 GLU A 25 25.731 9.428 20.684 1.00 0.00 O ATOM 0 H GLU A 25 26.087 9.116 15.617 1.00 0.00 H new ATOM 0 HA GLU A 25 27.866 11.084 16.793 1.00 0.00 H new ATOM 0 HB2 GLU A 25 27.214 8.221 17.600 1.00 0.00 H new ATOM 0 HB3 GLU A 25 28.003 9.425 18.598 1.00 0.00 H new ATOM 0 HG2 GLU A 25 25.954 10.814 18.569 1.00 0.00 H new ATOM 0 HG3 GLU A 25 25.162 9.640 17.535 1.00 0.00 H new ATOM 416 N TYR A 26 29.016 8.224 15.578 1.00 0.00 N ATOM 417 CA TYR A 26 30.210 7.562 15.071 1.00 0.00 C ATOM 418 C TYR A 26 30.171 7.492 13.553 1.00 0.00 C ATOM 419 O TYR A 26 29.230 6.952 12.974 1.00 0.00 O ATOM 420 CB TYR A 26 30.324 6.146 15.639 1.00 0.00 C ATOM 421 CG TYR A 26 30.429 6.090 17.147 1.00 0.00 C ATOM 422 CD1 TYR A 26 31.591 6.482 17.797 1.00 0.00 C ATOM 423 CD2 TYR A 26 29.367 5.633 17.917 1.00 0.00 C ATOM 424 CE1 TYR A 26 31.692 6.426 19.174 1.00 0.00 C ATOM 425 CE2 TYR A 26 29.458 5.574 19.293 1.00 0.00 C ATOM 426 CZ TYR A 26 30.623 5.968 19.918 1.00 0.00 C ATOM 427 OH TYR A 26 30.721 5.907 21.292 1.00 0.00 O ATOM 0 H TYR A 26 28.168 7.660 15.521 1.00 0.00 H new ATOM 0 HA TYR A 26 31.077 8.143 15.385 1.00 0.00 H new ATOM 0 HB2 TYR A 26 29.454 5.569 15.325 1.00 0.00 H new ATOM 0 HB3 TYR A 26 31.200 5.662 15.207 1.00 0.00 H new ATOM 0 HD1 TYR A 26 32.430 6.837 17.217 1.00 0.00 H new ATOM 0 HD2 TYR A 26 28.455 5.319 17.431 1.00 0.00 H new ATOM 0 HE1 TYR A 26 32.602 6.739 19.665 1.00 0.00 H new ATOM 0 HE2 TYR A 26 28.621 5.221 19.878 1.00 0.00 H new ATOM 0 HH TYR A 26 29.882 5.564 21.665 1.00 0.00 H new ATOM 437 N ASP A 27 31.196 8.026 12.908 1.00 0.00 N ATOM 438 CA ASP A 27 31.248 8.035 11.452 1.00 0.00 C ATOM 439 C ASP A 27 31.863 6.739 10.938 1.00 0.00 C ATOM 440 O ASP A 27 31.804 6.434 9.746 1.00 0.00 O ATOM 441 CB ASP A 27 32.036 9.244 10.935 1.00 0.00 C ATOM 442 CG ASP A 27 33.530 9.129 11.160 1.00 0.00 C ATOM 443 OD1 ASP A 27 33.993 9.417 12.284 1.00 0.00 O ATOM 444 OD2 ASP A 27 34.254 8.777 10.204 1.00 0.00 O ATOM 0 H ASP A 27 32.000 8.457 13.365 1.00 0.00 H new ATOM 0 HA ASP A 27 30.228 8.114 11.076 1.00 0.00 H new ATOM 0 HB2 ASP A 27 31.845 9.364 9.869 1.00 0.00 H new ATOM 0 HB3 ASP A 27 31.670 10.145 11.428 1.00 0.00 H new ATOM 449 N SER A 28 32.451 5.979 11.845 1.00 0.00 N ATOM 450 CA SER A 28 32.996 4.677 11.512 1.00 0.00 C ATOM 451 C SER A 28 31.903 3.618 11.605 1.00 0.00 C ATOM 452 O SER A 28 31.480 3.245 12.698 1.00 0.00 O ATOM 453 CB SER A 28 34.163 4.344 12.440 1.00 0.00 C ATOM 454 OG SER A 28 35.163 5.347 12.356 1.00 0.00 O ATOM 0 H SER A 28 32.563 6.244 12.823 1.00 0.00 H new ATOM 0 HA SER A 28 33.371 4.694 10.489 1.00 0.00 H new ATOM 0 HB2 SER A 28 33.807 4.261 13.467 1.00 0.00 H new ATOM 0 HB3 SER A 28 34.586 3.376 12.170 1.00 0.00 H new ATOM 0 HG SER A 28 35.904 5.122 12.957 1.00 0.00 H new ATOM 460 N GLN A 29 31.459 3.144 10.443 1.00 0.00 N ATOM 461 CA GLN A 29 30.299 2.260 10.347 1.00 0.00 C ATOM 462 C GLN A 29 30.467 1.007 11.205 1.00 0.00 C ATOM 463 O GLN A 29 29.526 0.576 11.873 1.00 0.00 O ATOM 464 CB GLN A 29 30.062 1.862 8.889 1.00 0.00 C ATOM 465 CG GLN A 29 28.671 1.303 8.620 1.00 0.00 C ATOM 466 CD GLN A 29 28.507 0.822 7.188 1.00 0.00 C ATOM 467 OE1 GLN A 29 29.456 0.337 6.572 1.00 0.00 O ATOM 468 NE2 GLN A 29 27.307 0.962 6.645 1.00 0.00 N ATOM 0 H GLN A 29 31.891 3.361 9.545 1.00 0.00 H new ATOM 0 HA GLN A 29 29.435 2.808 10.723 1.00 0.00 H new ATOM 0 HB2 GLN A 29 30.222 2.734 8.254 1.00 0.00 H new ATOM 0 HB3 GLN A 29 30.804 1.117 8.601 1.00 0.00 H new ATOM 0 HG2 GLN A 29 28.477 0.476 9.303 1.00 0.00 H new ATOM 0 HG3 GLN A 29 27.927 2.071 8.830 1.00 0.00 H new ATOM 0 HE21 GLN A 29 26.546 1.369 7.188 1.00 0.00 H new ATOM 0 HE22 GLN A 29 27.144 0.663 5.683 1.00 0.00 H new ATOM 477 N TRP A 30 31.664 0.430 11.189 1.00 0.00 N ATOM 478 CA TRP A 30 31.935 -0.774 11.968 1.00 0.00 C ATOM 479 C TRP A 30 31.787 -0.503 13.463 1.00 0.00 C ATOM 480 O TRP A 30 31.203 -1.307 14.189 1.00 0.00 O ATOM 481 CB TRP A 30 33.335 -1.317 11.673 1.00 0.00 C ATOM 482 CG TRP A 30 33.519 -1.783 10.262 1.00 0.00 C ATOM 483 CD1 TRP A 30 32.747 -2.687 9.594 1.00 0.00 C ATOM 484 CD2 TRP A 30 34.553 -1.387 9.353 1.00 0.00 C ATOM 485 NE1 TRP A 30 33.231 -2.869 8.322 1.00 0.00 N ATOM 486 CE2 TRP A 30 34.338 -2.084 8.149 1.00 0.00 C ATOM 487 CE3 TRP A 30 35.636 -0.510 9.440 1.00 0.00 C ATOM 488 CZ2 TRP A 30 35.166 -1.928 7.041 1.00 0.00 C ATOM 489 CZ3 TRP A 30 36.457 -0.357 8.339 1.00 0.00 C ATOM 490 CH2 TRP A 30 36.218 -1.062 7.154 1.00 0.00 C ATOM 0 H TRP A 30 32.458 0.774 10.649 1.00 0.00 H new ATOM 0 HA TRP A 30 31.202 -1.525 11.675 1.00 0.00 H new ATOM 0 HB2 TRP A 30 34.068 -0.540 11.887 1.00 0.00 H new ATOM 0 HB3 TRP A 30 33.543 -2.146 12.349 1.00 0.00 H new ATOM 0 HD1 TRP A 30 31.882 -3.186 10.005 1.00 0.00 H new ATOM 0 HE1 TRP A 30 32.830 -3.490 7.619 1.00 0.00 H new ATOM 0 HE3 TRP A 30 35.828 0.038 10.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 34.984 -2.471 6.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 37.298 0.319 8.394 1.00 0.00 H new ATOM 0 HH2 TRP A 30 36.878 -0.919 6.311 1.00 0.00 H new ATOM 501 N ALA A 31 32.301 0.640 13.907 1.00 0.00 N ATOM 502 CA ALA A 31 32.212 1.038 15.309 1.00 0.00 C ATOM 503 C ALA A 31 30.754 1.141 15.742 1.00 0.00 C ATOM 504 O ALA A 31 30.383 0.718 16.837 1.00 0.00 O ATOM 505 CB ALA A 31 32.926 2.368 15.522 1.00 0.00 C ATOM 0 H ALA A 31 32.787 1.311 13.312 1.00 0.00 H new ATOM 0 HA ALA A 31 32.699 0.278 15.920 1.00 0.00 H new ATOM 0 HB1 ALA A 31 32.854 2.656 16.571 1.00 0.00 H new ATOM 0 HB2 ALA A 31 33.975 2.266 15.245 1.00 0.00 H new ATOM 0 HB3 ALA A 31 32.460 3.134 14.903 1.00 0.00 H new ATOM 511 N THR A 32 29.935 1.686 14.855 1.00 0.00 N ATOM 512 CA THR A 32 28.516 1.837 15.104 1.00 0.00 C ATOM 513 C THR A 32 27.837 0.473 15.250 1.00 0.00 C ATOM 514 O THR A 32 27.247 0.167 16.286 1.00 0.00 O ATOM 515 CB THR A 32 27.855 2.615 13.952 1.00 0.00 C ATOM 516 OG1 THR A 32 28.601 3.809 13.678 1.00 0.00 O ATOM 517 CG2 THR A 32 26.422 2.978 14.293 1.00 0.00 C ATOM 0 H THR A 32 30.238 2.034 13.945 1.00 0.00 H new ATOM 0 HA THR A 32 28.396 2.390 16.035 1.00 0.00 H new ATOM 0 HB THR A 32 27.849 1.976 13.069 1.00 0.00 H new ATOM 0 HG1 THR A 32 28.176 4.299 12.943 1.00 0.00 H new ATOM 0 HG21 THR A 32 25.978 3.527 13.462 1.00 0.00 H new ATOM 0 HG22 THR A 32 25.849 2.068 14.474 1.00 0.00 H new ATOM 0 HG23 THR A 32 26.407 3.600 15.188 1.00 0.00 H new ATOM 525 N ILE A 33 27.961 -0.352 14.215 1.00 0.00 N ATOM 526 CA ILE A 33 27.257 -1.631 14.147 1.00 0.00 C ATOM 527 C ILE A 33 27.694 -2.587 15.260 1.00 0.00 C ATOM 528 O ILE A 33 26.860 -3.203 15.926 1.00 0.00 O ATOM 529 CB ILE A 33 27.478 -2.303 12.773 1.00 0.00 C ATOM 530 CG1 ILE A 33 26.978 -1.389 11.649 1.00 0.00 C ATOM 531 CG2 ILE A 33 26.776 -3.651 12.713 1.00 0.00 C ATOM 532 CD1 ILE A 33 27.248 -1.922 10.259 1.00 0.00 C ATOM 0 H ILE A 33 28.548 -0.156 13.404 1.00 0.00 H new ATOM 0 HA ILE A 33 26.197 -1.416 14.282 1.00 0.00 H new ATOM 0 HB ILE A 33 28.547 -2.469 12.640 1.00 0.00 H new ATOM 0 HG12 ILE A 33 25.905 -1.238 11.767 1.00 0.00 H new ATOM 0 HG13 ILE A 33 27.451 -0.412 11.751 1.00 0.00 H new ATOM 0 HG21 ILE A 33 26.945 -4.106 11.737 1.00 0.00 H new ATOM 0 HG22 ILE A 33 27.173 -4.303 13.491 1.00 0.00 H new ATOM 0 HG23 ILE A 33 25.706 -3.511 12.868 1.00 0.00 H new ATOM 0 HD11 ILE A 33 26.865 -1.219 9.519 1.00 0.00 H new ATOM 0 HD12 ILE A 33 28.322 -2.047 10.119 1.00 0.00 H new ATOM 0 HD13 ILE A 33 26.752 -2.885 10.136 1.00 0.00 H new ATOM 544 N CYS A 34 28.999 -2.678 15.477 1.00 0.00 N ATOM 545 CA CYS A 34 29.562 -3.635 16.429 1.00 0.00 C ATOM 546 C CYS A 34 29.132 -3.331 17.866 1.00 0.00 C ATOM 547 O CYS A 34 29.106 -4.221 18.717 1.00 0.00 O ATOM 548 CB CYS A 34 31.091 -3.631 16.324 1.00 0.00 C ATOM 549 SG CYS A 34 31.919 -4.823 17.403 1.00 0.00 S ATOM 0 H CYS A 34 29.694 -2.099 15.005 1.00 0.00 H new ATOM 0 HA CYS A 34 29.179 -4.623 16.175 1.00 0.00 H new ATOM 0 HB2 CYS A 34 31.372 -3.838 15.291 1.00 0.00 H new ATOM 0 HB3 CYS A 34 31.456 -2.631 16.560 1.00 0.00 H new ATOM 0 HG CYS A 34 31.148 -5.104 18.411 1.00 0.00 H new ATOM 555 N SER A 35 28.778 -2.081 18.133 1.00 0.00 N ATOM 556 CA SER A 35 28.428 -1.669 19.487 1.00 0.00 C ATOM 557 C SER A 35 26.933 -1.844 19.763 1.00 0.00 C ATOM 558 O SER A 35 26.526 -2.057 20.907 1.00 0.00 O ATOM 559 CB SER A 35 28.833 -0.211 19.714 1.00 0.00 C ATOM 560 OG SER A 35 30.200 -0.006 19.387 1.00 0.00 O ATOM 0 H SER A 35 28.726 -1.339 17.436 1.00 0.00 H new ATOM 0 HA SER A 35 28.973 -2.311 20.179 1.00 0.00 H new ATOM 0 HB2 SER A 35 28.208 0.443 19.106 1.00 0.00 H new ATOM 0 HB3 SER A 35 28.660 0.060 20.755 1.00 0.00 H new ATOM 0 HG SER A 35 30.315 -0.057 18.415 1.00 0.00 H new ATOM 566 N ILE A 36 26.122 -1.774 18.716 1.00 0.00 N ATOM 567 CA ILE A 36 24.669 -1.821 18.867 1.00 0.00 C ATOM 568 C ILE A 36 24.155 -3.259 18.918 1.00 0.00 C ATOM 569 O ILE A 36 23.205 -3.562 19.645 1.00 0.00 O ATOM 570 CB ILE A 36 23.973 -1.068 17.711 1.00 0.00 C ATOM 571 CG1 ILE A 36 24.403 0.398 17.703 1.00 0.00 C ATOM 572 CG2 ILE A 36 22.459 -1.177 17.826 1.00 0.00 C ATOM 573 CD1 ILE A 36 23.832 1.190 16.547 1.00 0.00 C ATOM 0 H ILE A 36 26.443 -1.684 17.752 1.00 0.00 H new ATOM 0 HA ILE A 36 24.429 -1.334 19.812 1.00 0.00 H new ATOM 0 HB ILE A 36 24.275 -1.529 16.770 1.00 0.00 H new ATOM 0 HG12 ILE A 36 24.095 0.864 18.639 1.00 0.00 H new ATOM 0 HG13 ILE A 36 25.491 0.449 17.665 1.00 0.00 H new ATOM 0 HG21 ILE A 36 21.992 -0.639 17.001 1.00 0.00 H new ATOM 0 HG22 ILE A 36 22.166 -2.226 17.787 1.00 0.00 H new ATOM 0 HG23 ILE A 36 22.134 -0.744 18.772 1.00 0.00 H new ATOM 0 HD11 ILE A 36 24.179 2.221 16.606 1.00 0.00 H new ATOM 0 HD12 ILE A 36 24.161 0.749 15.606 1.00 0.00 H new ATOM 0 HD13 ILE A 36 22.743 1.171 16.595 1.00 0.00 H new ATOM 585 N ALA A 37 24.800 -4.134 18.155 1.00 0.00 N ATOM 586 CA ALA A 37 24.374 -5.528 18.028 1.00 0.00 C ATOM 587 C ALA A 37 24.130 -6.225 19.383 1.00 0.00 C ATOM 588 O ALA A 37 23.053 -6.794 19.592 1.00 0.00 O ATOM 589 CB ALA A 37 25.383 -6.302 17.196 1.00 0.00 C ATOM 0 H ALA A 37 25.629 -3.902 17.608 1.00 0.00 H new ATOM 0 HA ALA A 37 23.408 -5.518 17.522 1.00 0.00 H new ATOM 0 HB1 ALA A 37 25.060 -7.339 17.105 1.00 0.00 H new ATOM 0 HB2 ALA A 37 25.455 -5.856 16.204 1.00 0.00 H new ATOM 0 HB3 ALA A 37 26.358 -6.267 17.681 1.00 0.00 H new ATOM 595 N PRO A 38 25.099 -6.194 20.336 1.00 0.00 N ATOM 596 CA PRO A 38 24.966 -6.900 21.619 1.00 0.00 C ATOM 597 C PRO A 38 23.864 -6.326 22.513 1.00 0.00 C ATOM 598 O PRO A 38 23.496 -6.934 23.516 1.00 0.00 O ATOM 599 CB PRO A 38 26.341 -6.724 22.288 1.00 0.00 C ATOM 600 CG PRO A 38 27.251 -6.263 21.203 1.00 0.00 C ATOM 601 CD PRO A 38 26.390 -5.490 20.253 1.00 0.00 C ATOM 0 HA PRO A 38 24.683 -7.941 21.462 1.00 0.00 H new ATOM 0 HB2 PRO A 38 26.294 -5.996 23.098 1.00 0.00 H new ATOM 0 HB3 PRO A 38 26.690 -7.661 22.722 1.00 0.00 H new ATOM 0 HG2 PRO A 38 28.051 -5.640 21.602 1.00 0.00 H new ATOM 0 HG3 PRO A 38 27.724 -7.108 20.703 1.00 0.00 H new ATOM 0 HD2 PRO A 38 26.300 -4.444 20.548 1.00 0.00 H new ATOM 0 HD3 PRO A 38 26.793 -5.502 19.240 1.00 0.00 H new ATOM 609 N LYS A 39 23.342 -5.159 22.153 1.00 0.00 N ATOM 610 CA LYS A 39 22.281 -4.532 22.929 1.00 0.00 C ATOM 611 C LYS A 39 20.916 -5.055 22.498 1.00 0.00 C ATOM 612 O LYS A 39 20.033 -5.286 23.325 1.00 0.00 O ATOM 613 CB LYS A 39 22.339 -3.009 22.771 1.00 0.00 C ATOM 614 CG LYS A 39 21.157 -2.282 23.398 1.00 0.00 C ATOM 615 CD LYS A 39 21.328 -0.770 23.362 1.00 0.00 C ATOM 616 CE LYS A 39 22.085 -0.258 24.583 1.00 0.00 C ATOM 617 NZ LYS A 39 23.455 -0.829 24.700 1.00 0.00 N ATOM 0 H LYS A 39 23.636 -4.630 21.332 1.00 0.00 H new ATOM 0 HA LYS A 39 22.429 -4.784 23.979 1.00 0.00 H new ATOM 0 HB2 LYS A 39 23.261 -2.641 23.221 1.00 0.00 H new ATOM 0 HB3 LYS A 39 22.383 -2.764 21.710 1.00 0.00 H new ATOM 0 HG2 LYS A 39 20.243 -2.555 22.871 1.00 0.00 H new ATOM 0 HG3 LYS A 39 21.038 -2.608 24.431 1.00 0.00 H new ATOM 0 HD2 LYS A 39 21.864 -0.486 22.456 1.00 0.00 H new ATOM 0 HD3 LYS A 39 20.348 -0.294 23.315 1.00 0.00 H new ATOM 0 HE2 LYS A 39 22.153 0.829 24.532 1.00 0.00 H new ATOM 0 HE3 LYS A 39 21.519 -0.500 25.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 24.012 -0.260 25.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 23.395 -1.808 25.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 23.916 -0.818 23.768 1.00 0.00 H new ATOM 631 N ILE A 40 20.754 -5.250 21.201 1.00 0.00 N ATOM 632 CA ILE A 40 19.488 -5.713 20.655 1.00 0.00 C ATOM 633 C ILE A 40 19.408 -7.237 20.703 1.00 0.00 C ATOM 634 O ILE A 40 18.327 -7.813 20.845 1.00 0.00 O ATOM 635 CB ILE A 40 19.296 -5.215 19.206 1.00 0.00 C ATOM 636 CG1 ILE A 40 19.425 -3.687 19.163 1.00 0.00 C ATOM 637 CG2 ILE A 40 17.938 -5.648 18.666 1.00 0.00 C ATOM 638 CD1 ILE A 40 19.362 -3.107 17.769 1.00 0.00 C ATOM 0 H ILE A 40 21.483 -5.095 20.505 1.00 0.00 H new ATOM 0 HA ILE A 40 18.687 -5.301 21.269 1.00 0.00 H new ATOM 0 HB ILE A 40 20.069 -5.656 18.576 1.00 0.00 H new ATOM 0 HG12 ILE A 40 18.630 -3.248 19.765 1.00 0.00 H new ATOM 0 HG13 ILE A 40 20.370 -3.399 19.624 1.00 0.00 H new ATOM 0 HG21 ILE A 40 17.821 -5.288 17.644 1.00 0.00 H new ATOM 0 HG22 ILE A 40 17.872 -6.736 18.677 1.00 0.00 H new ATOM 0 HG23 ILE A 40 17.148 -5.230 19.290 1.00 0.00 H new ATOM 0 HD11 ILE A 40 19.460 -2.023 17.821 1.00 0.00 H new ATOM 0 HD12 ILE A 40 20.174 -3.516 17.168 1.00 0.00 H new ATOM 0 HD13 ILE A 40 18.407 -3.363 17.311 1.00 0.00 H new ATOM 650 N GLY A 41 20.560 -7.883 20.610 1.00 0.00 N ATOM 651 CA GLY A 41 20.603 -9.331 20.662 1.00 0.00 C ATOM 652 C GLY A 41 20.821 -9.935 19.295 1.00 0.00 C ATOM 653 O GLY A 41 20.111 -10.859 18.890 1.00 0.00 O ATOM 0 H GLY A 41 21.468 -7.431 20.499 1.00 0.00 H new ATOM 0 HA2 GLY A 41 21.403 -9.647 21.331 1.00 0.00 H new ATOM 0 HA3 GLY A 41 19.670 -9.708 21.081 1.00 0.00 H new ATOM 657 N CYS A 42 21.794 -9.403 18.575 1.00 0.00 N ATOM 658 CA CYS A 42 22.128 -9.898 17.250 1.00 0.00 C ATOM 659 C CYS A 42 23.628 -9.776 17.011 1.00 0.00 C ATOM 660 O CYS A 42 24.349 -9.210 17.835 1.00 0.00 O ATOM 661 CB CYS A 42 21.355 -9.120 16.180 1.00 0.00 C ATOM 662 SG CYS A 42 21.547 -7.322 16.288 1.00 0.00 S ATOM 0 H CYS A 42 22.371 -8.622 18.889 1.00 0.00 H new ATOM 0 HA CYS A 42 21.845 -10.949 17.186 1.00 0.00 H new ATOM 0 HB2 CYS A 42 21.686 -9.451 15.196 1.00 0.00 H new ATOM 0 HB3 CYS A 42 20.296 -9.367 16.261 1.00 0.00 H new ATOM 0 HG CYS A 42 21.039 -6.767 15.228 1.00 0.00 H new ATOM 668 N THR A 43 24.102 -10.320 15.904 1.00 0.00 N ATOM 669 CA THR A 43 25.502 -10.189 15.546 1.00 0.00 C ATOM 670 C THR A 43 25.711 -8.976 14.644 1.00 0.00 C ATOM 671 O THR A 43 24.822 -8.613 13.869 1.00 0.00 O ATOM 672 CB THR A 43 26.019 -11.455 14.838 1.00 0.00 C ATOM 673 OG1 THR A 43 25.205 -11.748 13.696 1.00 0.00 O ATOM 674 CG2 THR A 43 26.020 -12.643 15.786 1.00 0.00 C ATOM 0 H THR A 43 23.541 -10.854 15.241 1.00 0.00 H new ATOM 0 HA THR A 43 26.067 -10.054 16.469 1.00 0.00 H new ATOM 0 HB THR A 43 27.043 -11.269 14.513 1.00 0.00 H new ATOM 0 HG1 THR A 43 25.543 -12.554 13.252 1.00 0.00 H new ATOM 0 HG21 THR A 43 26.389 -13.525 15.263 1.00 0.00 H new ATOM 0 HG22 THR A 43 26.666 -12.429 16.637 1.00 0.00 H new ATOM 0 HG23 THR A 43 25.005 -12.828 16.138 1.00 0.00 H new ATOM 682 N PRO A 44 26.889 -8.330 14.733 1.00 0.00 N ATOM 683 CA PRO A 44 27.211 -7.159 13.907 1.00 0.00 C ATOM 684 C PRO A 44 27.131 -7.484 12.421 1.00 0.00 C ATOM 685 O PRO A 44 26.769 -6.639 11.601 1.00 0.00 O ATOM 686 CB PRO A 44 28.652 -6.817 14.302 1.00 0.00 C ATOM 687 CG PRO A 44 28.845 -7.446 15.637 1.00 0.00 C ATOM 688 CD PRO A 44 27.993 -8.683 15.641 1.00 0.00 C ATOM 0 HA PRO A 44 26.514 -6.337 14.069 1.00 0.00 H new ATOM 0 HB2 PRO A 44 29.364 -7.208 13.575 1.00 0.00 H new ATOM 0 HB3 PRO A 44 28.803 -5.739 14.348 1.00 0.00 H new ATOM 0 HG2 PRO A 44 29.893 -7.694 15.803 1.00 0.00 H new ATOM 0 HG3 PRO A 44 28.548 -6.766 16.435 1.00 0.00 H new ATOM 0 HD2 PRO A 44 28.544 -9.554 15.286 1.00 0.00 H new ATOM 0 HD3 PRO A 44 27.632 -8.921 16.642 1.00 0.00 H new ATOM 696 N GLU A 45 27.452 -8.725 12.090 1.00 0.00 N ATOM 697 CA GLU A 45 27.406 -9.200 10.717 1.00 0.00 C ATOM 698 C GLU A 45 25.977 -9.159 10.181 1.00 0.00 C ATOM 699 O GLU A 45 25.735 -8.688 9.072 1.00 0.00 O ATOM 700 CB GLU A 45 27.948 -10.626 10.648 1.00 0.00 C ATOM 701 CG GLU A 45 29.308 -10.788 11.305 1.00 0.00 C ATOM 702 CD GLU A 45 29.765 -12.230 11.349 1.00 0.00 C ATOM 703 OE1 GLU A 45 29.383 -12.949 12.297 1.00 0.00 O ATOM 704 OE2 GLU A 45 30.503 -12.651 10.432 1.00 0.00 O ATOM 0 H GLU A 45 27.751 -9.429 12.764 1.00 0.00 H new ATOM 0 HA GLU A 45 28.024 -8.547 10.100 1.00 0.00 H new ATOM 0 HB2 GLU A 45 27.238 -11.300 11.128 1.00 0.00 H new ATOM 0 HB3 GLU A 45 28.019 -10.929 9.604 1.00 0.00 H new ATOM 0 HG2 GLU A 45 30.043 -10.194 10.762 1.00 0.00 H new ATOM 0 HG3 GLU A 45 29.266 -10.393 12.320 1.00 0.00 H new ATOM 711 N THR A 46 25.034 -9.638 10.985 1.00 0.00 N ATOM 712 CA THR A 46 23.633 -9.669 10.593 1.00 0.00 C ATOM 713 C THR A 46 23.044 -8.259 10.589 1.00 0.00 C ATOM 714 O THR A 46 22.277 -7.897 9.696 1.00 0.00 O ATOM 715 CB THR A 46 22.816 -10.572 11.535 1.00 0.00 C ATOM 716 OG1 THR A 46 23.452 -11.855 11.643 1.00 0.00 O ATOM 717 CG2 THR A 46 21.396 -10.750 11.025 1.00 0.00 C ATOM 0 H THR A 46 25.218 -10.011 11.916 1.00 0.00 H new ATOM 0 HA THR A 46 23.579 -10.079 9.585 1.00 0.00 H new ATOM 0 HB THR A 46 22.772 -10.096 12.515 1.00 0.00 H new ATOM 0 HG1 THR A 46 24.024 -11.871 12.439 1.00 0.00 H new ATOM 0 HG21 THR A 46 20.841 -11.392 11.709 1.00 0.00 H new ATOM 0 HG22 THR A 46 20.907 -9.778 10.963 1.00 0.00 H new ATOM 0 HG23 THR A 46 21.419 -11.208 10.036 1.00 0.00 H new ATOM 725 N LEU A 47 23.434 -7.462 11.577 1.00 0.00 N ATOM 726 CA LEU A 47 22.974 -6.081 11.676 1.00 0.00 C ATOM 727 C LEU A 47 23.436 -5.279 10.458 1.00 0.00 C ATOM 728 O LEU A 47 22.701 -4.439 9.940 1.00 0.00 O ATOM 729 CB LEU A 47 23.488 -5.436 12.971 1.00 0.00 C ATOM 730 CG LEU A 47 22.982 -4.016 13.250 1.00 0.00 C ATOM 731 CD1 LEU A 47 21.464 -3.997 13.333 1.00 0.00 C ATOM 732 CD2 LEU A 47 23.595 -3.480 14.538 1.00 0.00 C ATOM 0 H LEU A 47 24.069 -7.749 12.322 1.00 0.00 H new ATOM 0 HA LEU A 47 21.884 -6.078 11.700 1.00 0.00 H new ATOM 0 HB2 LEU A 47 23.208 -6.074 13.809 1.00 0.00 H new ATOM 0 HB3 LEU A 47 24.577 -5.414 12.937 1.00 0.00 H new ATOM 0 HG LEU A 47 23.287 -3.371 12.426 1.00 0.00 H new ATOM 0 HD11 LEU A 47 21.123 -2.981 13.532 1.00 0.00 H new ATOM 0 HD12 LEU A 47 21.044 -4.343 12.389 1.00 0.00 H new ATOM 0 HD13 LEU A 47 21.135 -4.654 14.138 1.00 0.00 H new ATOM 0 HD21 LEU A 47 23.227 -2.471 14.724 1.00 0.00 H new ATOM 0 HD22 LEU A 47 23.317 -4.127 15.370 1.00 0.00 H new ATOM 0 HD23 LEU A 47 24.681 -3.458 14.443 1.00 0.00 H new ATOM 744 N ARG A 48 24.652 -5.560 9.996 1.00 0.00 N ATOM 745 CA ARG A 48 25.192 -4.928 8.793 1.00 0.00 C ATOM 746 C ARG A 48 24.331 -5.268 7.577 1.00 0.00 C ATOM 747 O ARG A 48 24.041 -4.407 6.743 1.00 0.00 O ATOM 748 CB ARG A 48 26.638 -5.385 8.559 1.00 0.00 C ATOM 749 CG ARG A 48 27.285 -4.781 7.321 1.00 0.00 C ATOM 750 CD ARG A 48 28.689 -5.326 7.103 1.00 0.00 C ATOM 751 NE ARG A 48 28.691 -6.784 6.949 1.00 0.00 N ATOM 752 CZ ARG A 48 29.766 -7.552 7.141 1.00 0.00 C ATOM 753 NH1 ARG A 48 30.943 -7.009 7.416 1.00 0.00 N ATOM 754 NH2 ARG A 48 29.671 -8.872 7.032 1.00 0.00 N ATOM 0 H ARG A 48 25.286 -6.225 10.439 1.00 0.00 H new ATOM 0 HA ARG A 48 25.181 -3.847 8.935 1.00 0.00 H new ATOM 0 HB2 ARG A 48 27.236 -5.125 9.432 1.00 0.00 H new ATOM 0 HB3 ARG A 48 26.655 -6.471 8.472 1.00 0.00 H new ATOM 0 HG2 ARG A 48 26.671 -4.996 6.447 1.00 0.00 H new ATOM 0 HG3 ARG A 48 27.326 -3.697 7.423 1.00 0.00 H new ATOM 0 HD2 ARG A 48 29.123 -4.866 6.215 1.00 0.00 H new ATOM 0 HD3 ARG A 48 29.321 -5.049 7.947 1.00 0.00 H new ATOM 0 HE ARG A 48 27.819 -7.239 6.679 1.00 0.00 H new ATOM 0 HH11 ARG A 48 31.034 -5.995 7.483 1.00 0.00 H new ATOM 0 HH12 ARG A 48 31.758 -7.605 7.561 1.00 0.00 H new ATOM 0 HH21 ARG A 48 28.775 -9.301 6.801 1.00 0.00 H new ATOM 0 HH22 ARG A 48 30.494 -9.456 7.179 1.00 0.00 H new ATOM 768 N VAL A 49 23.914 -6.528 7.492 1.00 0.00 N ATOM 769 CA VAL A 49 23.080 -6.991 6.391 1.00 0.00 C ATOM 770 C VAL A 49 21.746 -6.252 6.375 1.00 0.00 C ATOM 771 O VAL A 49 21.265 -5.852 5.315 1.00 0.00 O ATOM 772 CB VAL A 49 22.824 -8.513 6.467 1.00 0.00 C ATOM 773 CG1 VAL A 49 21.923 -8.967 5.325 1.00 0.00 C ATOM 774 CG2 VAL A 49 24.138 -9.277 6.435 1.00 0.00 C ATOM 0 H VAL A 49 24.142 -7.249 8.177 1.00 0.00 H new ATOM 0 HA VAL A 49 23.623 -6.779 5.470 1.00 0.00 H new ATOM 0 HB VAL A 49 22.319 -8.725 7.410 1.00 0.00 H new ATOM 0 HG11 VAL A 49 21.756 -10.042 5.398 1.00 0.00 H new ATOM 0 HG12 VAL A 49 20.967 -8.446 5.387 1.00 0.00 H new ATOM 0 HG13 VAL A 49 22.400 -8.738 4.372 1.00 0.00 H new ATOM 0 HG21 VAL A 49 23.938 -10.347 6.489 1.00 0.00 H new ATOM 0 HG22 VAL A 49 24.666 -9.053 5.508 1.00 0.00 H new ATOM 0 HG23 VAL A 49 24.753 -8.979 7.284 1.00 0.00 H new ATOM 784 N TRP A 50 21.162 -6.060 7.553 1.00 0.00 N ATOM 785 CA TRP A 50 19.902 -5.331 7.670 1.00 0.00 C ATOM 786 C TRP A 50 20.046 -3.900 7.160 1.00 0.00 C ATOM 787 O TRP A 50 19.182 -3.399 6.440 1.00 0.00 O ATOM 788 CB TRP A 50 19.411 -5.317 9.117 1.00 0.00 C ATOM 789 CG TRP A 50 18.944 -6.654 9.607 1.00 0.00 C ATOM 790 CD1 TRP A 50 18.496 -7.695 8.846 1.00 0.00 C ATOM 791 CD2 TRP A 50 18.860 -7.088 10.969 1.00 0.00 C ATOM 792 NE1 TRP A 50 18.151 -8.751 9.650 1.00 0.00 N ATOM 793 CE2 TRP A 50 18.365 -8.402 10.956 1.00 0.00 C ATOM 794 CE3 TRP A 50 19.163 -6.494 12.199 1.00 0.00 C ATOM 795 CZ2 TRP A 50 18.161 -9.135 12.122 1.00 0.00 C ATOM 796 CZ3 TRP A 50 18.960 -7.220 13.357 1.00 0.00 C ATOM 797 CH2 TRP A 50 18.465 -8.531 13.311 1.00 0.00 C ATOM 0 H TRP A 50 21.539 -6.398 8.439 1.00 0.00 H new ATOM 0 HA TRP A 50 19.167 -5.849 7.054 1.00 0.00 H new ATOM 0 HB2 TRP A 50 20.216 -4.965 9.761 1.00 0.00 H new ATOM 0 HB3 TRP A 50 18.594 -4.601 9.207 1.00 0.00 H new ATOM 0 HD1 TRP A 50 18.424 -7.688 7.768 1.00 0.00 H new ATOM 0 HE1 TRP A 50 17.793 -9.650 9.327 1.00 0.00 H new ATOM 0 HE3 TRP A 50 19.549 -5.486 12.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 17.777 -10.144 12.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 19.186 -6.771 14.313 1.00 0.00 H new ATOM 0 HH2 TRP A 50 18.321 -9.075 14.233 1.00 0.00 H new ATOM 808 N VAL A 51 21.143 -3.249 7.532 1.00 0.00 N ATOM 809 CA VAL A 51 21.411 -1.887 7.089 1.00 0.00 C ATOM 810 C VAL A 51 21.604 -1.846 5.574 1.00 0.00 C ATOM 811 O VAL A 51 21.076 -0.961 4.896 1.00 0.00 O ATOM 812 CB VAL A 51 22.657 -1.300 7.789 1.00 0.00 C ATOM 813 CG1 VAL A 51 22.925 0.122 7.319 1.00 0.00 C ATOM 814 CG2 VAL A 51 22.487 -1.336 9.300 1.00 0.00 C ATOM 0 H VAL A 51 21.861 -3.644 8.140 1.00 0.00 H new ATOM 0 HA VAL A 51 20.548 -1.279 7.359 1.00 0.00 H new ATOM 0 HB VAL A 51 23.516 -1.915 7.521 1.00 0.00 H new ATOM 0 HG11 VAL A 51 23.807 0.513 7.826 1.00 0.00 H new ATOM 0 HG12 VAL A 51 23.095 0.123 6.242 1.00 0.00 H new ATOM 0 HG13 VAL A 51 22.065 0.750 7.551 1.00 0.00 H new ATOM 0 HG21 VAL A 51 23.374 -0.919 9.776 1.00 0.00 H new ATOM 0 HG22 VAL A 51 21.613 -0.748 9.582 1.00 0.00 H new ATOM 0 HG23 VAL A 51 22.351 -2.367 9.626 1.00 0.00 H new ATOM 824 N ARG A 52 22.337 -2.828 5.053 1.00 0.00 N ATOM 825 CA ARG A 52 22.586 -2.922 3.618 1.00 0.00 C ATOM 826 C ARG A 52 21.287 -3.191 2.862 1.00 0.00 C ATOM 827 O ARG A 52 21.059 -2.644 1.783 1.00 0.00 O ATOM 828 CB ARG A 52 23.586 -4.038 3.317 1.00 0.00 C ATOM 829 CG ARG A 52 24.113 -4.006 1.890 1.00 0.00 C ATOM 830 CD ARG A 52 24.113 -5.389 1.255 1.00 0.00 C ATOM 831 NE ARG A 52 22.755 -5.873 0.986 1.00 0.00 N ATOM 832 CZ ARG A 52 22.479 -7.021 0.363 1.00 0.00 C ATOM 833 NH1 ARG A 52 23.467 -7.811 -0.047 1.00 0.00 N ATOM 834 NH2 ARG A 52 21.215 -7.375 0.144 1.00 0.00 N ATOM 0 H ARG A 52 22.769 -3.570 5.604 1.00 0.00 H new ATOM 0 HA ARG A 52 23.001 -1.970 3.289 1.00 0.00 H new ATOM 0 HB2 ARG A 52 24.425 -3.961 4.008 1.00 0.00 H new ATOM 0 HB3 ARG A 52 23.110 -5.002 3.500 1.00 0.00 H new ATOM 0 HG2 ARG A 52 23.500 -3.332 1.292 1.00 0.00 H new ATOM 0 HG3 ARG A 52 25.126 -3.604 1.886 1.00 0.00 H new ATOM 0 HD2 ARG A 52 24.678 -5.360 0.323 1.00 0.00 H new ATOM 0 HD3 ARG A 52 24.623 -6.090 1.915 1.00 0.00 H new ATOM 0 HE ARG A 52 21.972 -5.296 1.294 1.00 0.00 H new ATOM 0 HH11 ARG A 52 24.437 -7.540 0.114 1.00 0.00 H new ATOM 0 HH12 ARG A 52 23.255 -8.688 -0.523 1.00 0.00 H new ATOM 0 HH21 ARG A 52 20.455 -6.769 0.452 1.00 0.00 H new ATOM 0 HH22 ARG A 52 21.006 -8.253 -0.332 1.00 0.00 H new ATOM 848 N GLN A 53 20.439 -4.042 3.426 1.00 0.00 N ATOM 849 CA GLN A 53 19.162 -4.362 2.803 1.00 0.00 C ATOM 850 C GLN A 53 18.255 -3.141 2.829 1.00 0.00 C ATOM 851 O GLN A 53 17.537 -2.868 1.871 1.00 0.00 O ATOM 852 CB GLN A 53 18.483 -5.538 3.512 1.00 0.00 C ATOM 853 CG GLN A 53 17.260 -6.070 2.778 1.00 0.00 C ATOM 854 CD GLN A 53 17.614 -6.791 1.489 1.00 0.00 C ATOM 855 OE1 GLN A 53 18.635 -6.507 0.855 1.00 0.00 O ATOM 856 NE2 GLN A 53 16.766 -7.724 1.085 1.00 0.00 N ATOM 0 H GLN A 53 20.612 -4.521 4.310 1.00 0.00 H new ATOM 0 HA GLN A 53 19.347 -4.652 1.769 1.00 0.00 H new ATOM 0 HB2 GLN A 53 19.205 -6.346 3.630 1.00 0.00 H new ATOM 0 HB3 GLN A 53 18.188 -5.226 4.514 1.00 0.00 H new ATOM 0 HG2 GLN A 53 16.717 -6.752 3.433 1.00 0.00 H new ATOM 0 HG3 GLN A 53 16.588 -5.242 2.553 1.00 0.00 H new ATOM 0 HE21 GLN A 53 15.933 -7.930 1.637 1.00 0.00 H new ATOM 0 HE22 GLN A 53 16.946 -8.237 0.222 1.00 0.00 H new ATOM 865 N HIS A 54 18.318 -2.396 3.925 1.00 0.00 N ATOM 866 CA HIS A 54 17.534 -1.177 4.075 1.00 0.00 C ATOM 867 C HIS A 54 18.030 -0.097 3.111 1.00 0.00 C ATOM 868 O HIS A 54 17.325 0.864 2.821 1.00 0.00 O ATOM 869 CB HIS A 54 17.603 -0.679 5.521 1.00 0.00 C ATOM 870 CG HIS A 54 16.689 0.470 5.812 1.00 0.00 C ATOM 871 ND1 HIS A 54 17.124 1.774 5.891 1.00 0.00 N ATOM 872 CD2 HIS A 54 15.356 0.503 6.052 1.00 0.00 C ATOM 873 CE1 HIS A 54 16.099 2.562 6.166 1.00 0.00 C ATOM 874 NE2 HIS A 54 15.016 1.814 6.267 1.00 0.00 N ATOM 0 H HIS A 54 18.908 -2.616 4.728 1.00 0.00 H new ATOM 0 HA HIS A 54 16.495 -1.400 3.833 1.00 0.00 H new ATOM 0 HB2 HIS A 54 17.358 -1.503 6.191 1.00 0.00 H new ATOM 0 HB3 HIS A 54 18.628 -0.381 5.744 1.00 0.00 H new ATOM 0 HD2 HIS A 54 14.687 -0.344 6.071 1.00 0.00 H new ATOM 0 HE1 HIS A 54 16.140 3.634 6.287 1.00 0.00 H new ATOM 0 HE2 HIS A 54 14.077 2.156 6.472 1.00 0.00 H new ATOM 883 N GLU A 55 19.252 -0.259 2.627 1.00 0.00 N ATOM 884 CA GLU A 55 19.782 0.614 1.592 1.00 0.00 C ATOM 885 C GLU A 55 19.081 0.290 0.273 1.00 0.00 C ATOM 886 O GLU A 55 18.615 1.179 -0.443 1.00 0.00 O ATOM 887 CB GLU A 55 21.304 0.425 1.484 1.00 0.00 C ATOM 888 CG GLU A 55 22.021 1.463 0.630 1.00 0.00 C ATOM 889 CD GLU A 55 21.951 1.179 -0.860 1.00 0.00 C ATOM 890 OE1 GLU A 55 22.688 0.287 -1.335 1.00 0.00 O ATOM 891 OE2 GLU A 55 21.180 1.860 -1.566 1.00 0.00 O ATOM 0 H GLU A 55 19.896 -0.988 2.935 1.00 0.00 H new ATOM 0 HA GLU A 55 19.596 1.659 1.839 1.00 0.00 H new ATOM 0 HB2 GLU A 55 21.730 0.445 2.487 1.00 0.00 H new ATOM 0 HB3 GLU A 55 21.504 -0.564 1.072 1.00 0.00 H new ATOM 0 HG2 GLU A 55 21.587 2.444 0.825 1.00 0.00 H new ATOM 0 HG3 GLU A 55 23.067 1.511 0.933 1.00 0.00 H new ATOM 898 N ARG A 56 18.953 -1.003 -0.004 1.00 0.00 N ATOM 899 CA ARG A 56 18.292 -1.476 -1.217 1.00 0.00 C ATOM 900 C ARG A 56 16.773 -1.390 -1.071 1.00 0.00 C ATOM 901 O ARG A 56 16.029 -1.683 -2.006 1.00 0.00 O ATOM 902 CB ARG A 56 18.724 -2.912 -1.530 1.00 0.00 C ATOM 903 CG ARG A 56 20.225 -3.050 -1.717 1.00 0.00 C ATOM 904 CD ARG A 56 20.710 -2.244 -2.911 1.00 0.00 C ATOM 905 NE ARG A 56 22.131 -1.922 -2.807 1.00 0.00 N ATOM 906 CZ ARG A 56 23.036 -2.184 -3.746 1.00 0.00 C ATOM 907 NH1 ARG A 56 22.678 -2.799 -4.871 1.00 0.00 N ATOM 908 NH2 ARG A 56 24.301 -1.826 -3.560 1.00 0.00 N ATOM 0 H ARG A 56 19.301 -1.748 0.600 1.00 0.00 H new ATOM 0 HA ARG A 56 18.590 -0.835 -2.047 1.00 0.00 H new ATOM 0 HB2 ARG A 56 18.402 -3.568 -0.721 1.00 0.00 H new ATOM 0 HB3 ARG A 56 18.218 -3.249 -2.434 1.00 0.00 H new ATOM 0 HG2 ARG A 56 20.738 -2.714 -0.816 1.00 0.00 H new ATOM 0 HG3 ARG A 56 20.481 -4.100 -1.856 1.00 0.00 H new ATOM 0 HD2 ARG A 56 20.531 -2.807 -3.827 1.00 0.00 H new ATOM 0 HD3 ARG A 56 20.133 -1.322 -2.986 1.00 0.00 H new ATOM 0 HE ARG A 56 22.452 -1.464 -1.954 1.00 0.00 H new ATOM 0 HH11 ARG A 56 21.706 -3.072 -5.016 1.00 0.00 H new ATOM 0 HH12 ARG A 56 23.376 -2.998 -5.588 1.00 0.00 H new ATOM 0 HH21 ARG A 56 24.576 -1.352 -2.700 1.00 0.00 H new ATOM 0 HH22 ARG A 56 24.998 -2.025 -4.277 1.00 0.00 H new ATOM 922 N ASP A 57 16.328 -0.993 0.117 1.00 0.00 N ATOM 923 CA ASP A 57 14.913 -0.740 0.384 1.00 0.00 C ATOM 924 C ASP A 57 14.414 0.411 -0.481 1.00 0.00 C ATOM 925 O ASP A 57 13.291 0.388 -0.986 1.00 0.00 O ATOM 926 CB ASP A 57 14.715 -0.409 1.868 1.00 0.00 C ATOM 927 CG ASP A 57 13.276 -0.098 2.228 1.00 0.00 C ATOM 928 OD1 ASP A 57 12.876 1.079 2.130 1.00 0.00 O ATOM 929 OD2 ASP A 57 12.553 -1.026 2.644 1.00 0.00 O ATOM 0 H ASP A 57 16.935 -0.837 0.922 1.00 0.00 H new ATOM 0 HA ASP A 57 14.340 -1.635 0.140 1.00 0.00 H new ATOM 0 HB2 ASP A 57 15.059 -1.251 2.469 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.340 0.445 2.129 1.00 0.00 H new ATOM 934 N THR A 58 15.276 1.407 -0.664 1.00 0.00 N ATOM 935 CA THR A 58 14.963 2.564 -1.493 1.00 0.00 C ATOM 936 C THR A 58 14.936 2.173 -2.975 1.00 0.00 C ATOM 937 O THR A 58 14.423 2.907 -3.824 1.00 0.00 O ATOM 938 CB THR A 58 16.002 3.684 -1.270 1.00 0.00 C ATOM 939 OG1 THR A 58 16.191 3.898 0.136 1.00 0.00 O ATOM 940 CG2 THR A 58 15.563 4.985 -1.928 1.00 0.00 C ATOM 0 H THR A 58 16.205 1.434 -0.244 1.00 0.00 H new ATOM 0 HA THR A 58 13.977 2.930 -1.206 1.00 0.00 H new ATOM 0 HB THR A 58 16.940 3.369 -1.726 1.00 0.00 H new ATOM 0 HG1 THR A 58 16.852 4.608 0.273 1.00 0.00 H new ATOM 0 HG21 THR A 58 16.316 5.754 -1.753 1.00 0.00 H new ATOM 0 HG22 THR A 58 15.446 4.829 -3.000 1.00 0.00 H new ATOM 0 HG23 THR A 58 14.612 5.305 -1.502 1.00 0.00 H new ATOM 948 N GLY A 59 15.489 1.005 -3.281 1.00 0.00 N ATOM 949 CA GLY A 59 15.551 0.543 -4.652 1.00 0.00 C ATOM 950 C GLY A 59 14.240 -0.048 -5.120 1.00 0.00 C ATOM 951 O GLY A 59 14.103 -1.266 -5.241 1.00 0.00 O ATOM 0 H GLY A 59 15.898 0.367 -2.598 1.00 0.00 H new ATOM 0 HA2 GLY A 59 15.824 1.375 -5.301 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.338 -0.205 -4.745 1.00 0.00 H new ATOM 955 N GLY A 60 13.275 0.819 -5.382 1.00 0.00 N ATOM 956 CA GLY A 60 11.986 0.376 -5.855 1.00 0.00 C ATOM 957 C GLY A 60 11.908 0.360 -7.368 1.00 0.00 C ATOM 958 O GLY A 60 12.220 1.356 -8.024 1.00 0.00 O ATOM 0 H GLY A 60 13.365 1.829 -5.274 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.784 -0.624 -5.472 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.210 1.032 -5.459 1.00 0.00 H new ATOM 962 N ASP A 61 11.517 -0.778 -7.916 1.00 0.00 N ATOM 963 CA ASP A 61 11.341 -0.927 -9.356 1.00 0.00 C ATOM 964 C ASP A 61 10.329 -2.023 -9.648 1.00 0.00 C ATOM 965 O ASP A 61 9.958 -2.785 -8.750 1.00 0.00 O ATOM 966 CB ASP A 61 12.673 -1.249 -10.047 1.00 0.00 C ATOM 967 CG ASP A 61 13.317 -2.529 -9.546 1.00 0.00 C ATOM 968 OD1 ASP A 61 12.828 -3.628 -9.882 1.00 0.00 O ATOM 969 OD2 ASP A 61 14.336 -2.443 -8.832 1.00 0.00 O ATOM 0 H ASP A 61 11.313 -1.622 -7.381 1.00 0.00 H new ATOM 0 HA ASP A 61 10.972 0.020 -9.750 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.506 -1.331 -11.121 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.363 -0.419 -9.894 1.00 0.00 H new ATOM 974 N ASP A 62 9.882 -2.090 -10.899 1.00 0.00 N ATOM 975 CA ASP A 62 8.929 -3.111 -11.328 1.00 0.00 C ATOM 976 C ASP A 62 8.844 -3.167 -12.851 1.00 0.00 C ATOM 977 O ASP A 62 8.587 -2.154 -13.503 1.00 0.00 O ATOM 978 CB ASP A 62 7.540 -2.837 -10.739 1.00 0.00 C ATOM 979 CG ASP A 62 6.521 -3.884 -11.146 1.00 0.00 C ATOM 980 OD1 ASP A 62 6.574 -5.013 -10.611 1.00 0.00 O ATOM 981 OD2 ASP A 62 5.666 -3.579 -12.005 1.00 0.00 O ATOM 0 H ASP A 62 10.166 -1.446 -11.637 1.00 0.00 H new ATOM 0 HA ASP A 62 9.283 -4.074 -10.961 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.610 -2.805 -9.652 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.198 -1.855 -11.065 1.00 0.00 H new ATOM 986 N GLY A 63 9.063 -4.352 -13.408 1.00 0.00 N ATOM 987 CA GLY A 63 9.024 -4.517 -14.847 1.00 0.00 C ATOM 988 C GLY A 63 7.608 -4.499 -15.389 1.00 0.00 C ATOM 989 O GLY A 63 6.854 -5.455 -15.207 1.00 0.00 O ATOM 0 H GLY A 63 9.268 -5.204 -12.886 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.601 -3.721 -15.318 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.502 -5.459 -15.116 1.00 0.00 H new ATOM 993 N GLY A 64 7.247 -3.404 -16.039 1.00 0.00 N ATOM 994 CA GLY A 64 5.923 -3.273 -16.616 1.00 0.00 C ATOM 995 C GLY A 64 5.748 -1.940 -17.303 1.00 0.00 C ATOM 996 O GLY A 64 5.119 -1.029 -16.762 1.00 0.00 O ATOM 0 H GLY A 64 7.853 -2.595 -16.179 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.756 -4.077 -17.332 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.172 -3.382 -15.834 1.00 0.00 H new ATOM 1000 N LEU A 65 6.328 -1.811 -18.486 1.00 0.00 N ATOM 1001 CA LEU A 65 6.280 -0.561 -19.226 1.00 0.00 C ATOM 1002 C LEU A 65 5.236 -0.627 -20.330 1.00 0.00 C ATOM 1003 O LEU A 65 5.108 -1.639 -21.020 1.00 0.00 O ATOM 1004 CB LEU A 65 7.647 -0.220 -19.831 1.00 0.00 C ATOM 1005 CG LEU A 65 8.700 0.326 -18.853 1.00 0.00 C ATOM 1006 CD1 LEU A 65 9.181 -0.752 -17.894 1.00 0.00 C ATOM 1007 CD2 LEU A 65 9.876 0.916 -19.614 1.00 0.00 C ATOM 0 H LEU A 65 6.839 -2.559 -18.955 1.00 0.00 H new ATOM 0 HA LEU A 65 6.006 0.224 -18.521 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.048 -1.118 -20.301 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.499 0.515 -20.622 1.00 0.00 H new ATOM 0 HG LEU A 65 8.229 1.113 -18.264 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.925 -0.331 -17.217 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.337 -1.129 -17.317 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.627 -1.570 -18.460 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.612 1.298 -18.907 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.333 0.144 -20.232 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.527 1.730 -20.249 1.00 0.00 H new ATOM 1019 N THR A 66 4.483 0.451 -20.478 1.00 0.00 N ATOM 1020 CA THR A 66 3.493 0.556 -21.540 1.00 0.00 C ATOM 1021 C THR A 66 4.185 0.681 -22.899 1.00 0.00 C ATOM 1022 O THR A 66 5.069 1.519 -23.079 1.00 0.00 O ATOM 1023 CB THR A 66 2.576 1.772 -21.312 1.00 0.00 C ATOM 1024 OG1 THR A 66 2.090 1.761 -19.961 1.00 0.00 O ATOM 1025 CG2 THR A 66 1.395 1.759 -22.275 1.00 0.00 C ATOM 0 H THR A 66 4.539 1.270 -19.873 1.00 0.00 H new ATOM 0 HA THR A 66 2.885 -0.349 -21.528 1.00 0.00 H new ATOM 0 HB THR A 66 3.157 2.676 -21.493 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.508 2.536 -19.816 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.765 2.629 -22.090 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.762 1.788 -23.301 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.812 0.851 -22.123 1.00 0.00 H new ATOM 1033 N THR A 67 3.783 -0.149 -23.848 1.00 0.00 N ATOM 1034 CA THR A 67 4.440 -0.186 -25.145 1.00 0.00 C ATOM 1035 C THR A 67 3.779 0.760 -26.143 1.00 0.00 C ATOM 1036 O THR A 67 2.560 0.943 -26.140 1.00 0.00 O ATOM 1037 CB THR A 67 4.461 -1.618 -25.722 1.00 0.00 C ATOM 1038 OG1 THR A 67 3.155 -2.207 -25.639 1.00 0.00 O ATOM 1039 CG2 THR A 67 5.461 -2.486 -24.976 1.00 0.00 C ATOM 0 H THR A 67 3.008 -0.804 -23.746 1.00 0.00 H new ATOM 0 HA THR A 67 5.466 0.146 -24.985 1.00 0.00 H new ATOM 0 HB THR A 67 4.762 -1.557 -26.768 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.181 -3.114 -26.009 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.458 -3.490 -25.400 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.458 -2.055 -25.070 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.185 -2.536 -23.923 1.00 0.00 H new ATOM 1047 N ALA A 68 4.601 1.365 -26.984 1.00 0.00 N ATOM 1048 CA ALA A 68 4.120 2.249 -28.029 1.00 0.00 C ATOM 1049 C ALA A 68 3.971 1.479 -29.332 1.00 0.00 C ATOM 1050 O ALA A 68 4.940 1.298 -30.073 1.00 0.00 O ATOM 1051 CB ALA A 68 5.063 3.427 -28.212 1.00 0.00 C ATOM 0 H ALA A 68 5.615 1.257 -26.961 1.00 0.00 H new ATOM 0 HA ALA A 68 3.145 2.638 -27.736 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.684 4.077 -29.000 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.130 3.988 -27.280 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.052 3.062 -28.488 1.00 0.00 H new ATOM 1057 N GLU A 69 2.763 1.004 -29.587 1.00 0.00 N ATOM 1058 CA GLU A 69 2.497 0.178 -30.757 1.00 0.00 C ATOM 1059 C GLU A 69 2.412 1.025 -32.024 1.00 0.00 C ATOM 1060 O GLU A 69 3.266 0.925 -32.903 1.00 0.00 O ATOM 1061 CB GLU A 69 1.208 -0.617 -30.556 1.00 0.00 C ATOM 1062 CG GLU A 69 1.272 -1.566 -29.370 1.00 0.00 C ATOM 1063 CD GLU A 69 -0.008 -2.352 -29.181 1.00 0.00 C ATOM 1064 OE1 GLU A 69 -0.297 -3.237 -30.012 1.00 0.00 O ATOM 1065 OE2 GLU A 69 -0.727 -2.096 -28.192 1.00 0.00 O ATOM 0 H GLU A 69 1.948 1.176 -28.999 1.00 0.00 H new ATOM 0 HA GLU A 69 3.327 -0.518 -30.878 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.379 0.076 -30.415 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.996 -1.188 -31.460 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.102 -2.259 -29.509 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.481 -0.996 -28.465 1.00 0.00 H new ATOM 1072 N ARG A 70 1.387 1.860 -32.115 1.00 0.00 N ATOM 1073 CA ARG A 70 1.214 2.709 -33.283 1.00 0.00 C ATOM 1074 C ARG A 70 1.216 4.180 -32.881 1.00 0.00 C ATOM 1075 O ARG A 70 1.586 5.054 -33.668 1.00 0.00 O ATOM 1076 CB ARG A 70 -0.076 2.338 -34.020 1.00 0.00 C ATOM 1077 CG ARG A 70 -0.215 3.006 -35.374 1.00 0.00 C ATOM 1078 CD ARG A 70 -1.260 2.305 -36.221 1.00 0.00 C ATOM 1079 NE ARG A 70 -1.427 2.934 -37.529 1.00 0.00 N ATOM 1080 CZ ARG A 70 -0.995 2.408 -38.674 1.00 0.00 C ATOM 1081 NH1 ARG A 70 -0.246 1.309 -38.671 1.00 0.00 N ATOM 1082 NH2 ARG A 70 -1.278 3.013 -39.821 1.00 0.00 N ATOM 0 H ARG A 70 0.668 1.967 -31.400 1.00 0.00 H new ATOM 0 HA ARG A 70 2.051 2.548 -33.962 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.111 1.257 -34.152 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -0.930 2.611 -33.400 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.491 4.052 -35.241 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.745 2.993 -35.890 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.975 1.262 -36.356 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -2.214 2.309 -35.694 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.905 3.834 -37.568 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.001 0.863 -37.788 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.081 0.912 -39.552 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.823 3.875 -39.822 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.950 2.616 -40.702 1.00 0.00 H new ATOM 1096 N GLN A 71 0.793 4.452 -31.655 1.00 0.00 N ATOM 1097 CA GLN A 71 0.900 5.791 -31.098 1.00 0.00 C ATOM 1098 C GLN A 71 2.322 6.015 -30.603 1.00 0.00 C ATOM 1099 O GLN A 71 2.774 5.367 -29.659 1.00 0.00 O ATOM 1100 CB GLN A 71 -0.110 5.989 -29.966 1.00 0.00 C ATOM 1101 CG GLN A 71 -1.550 6.055 -30.448 1.00 0.00 C ATOM 1102 CD GLN A 71 -1.847 7.319 -31.232 1.00 0.00 C ATOM 1103 OE1 GLN A 71 -1.664 7.373 -32.451 1.00 0.00 O ATOM 1104 NE2 GLN A 71 -2.316 8.343 -30.537 1.00 0.00 N ATOM 0 H GLN A 71 0.374 3.765 -31.029 1.00 0.00 H new ATOM 0 HA GLN A 71 0.672 6.523 -31.873 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.010 5.171 -29.253 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.129 6.909 -29.432 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.760 5.187 -31.073 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.219 5.999 -29.589 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.453 8.256 -29.530 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.541 9.219 -31.008 1.00 0.00 H new ATOM 1113 N ARG A 72 3.030 6.919 -31.256 1.00 0.00 N ATOM 1114 CA ARG A 72 4.439 7.124 -30.975 1.00 0.00 C ATOM 1115 C ARG A 72 4.634 7.932 -29.697 1.00 0.00 C ATOM 1116 O ARG A 72 4.361 9.133 -29.660 1.00 0.00 O ATOM 1117 CB ARG A 72 5.115 7.828 -32.154 1.00 0.00 C ATOM 1118 CG ARG A 72 6.441 7.204 -32.562 1.00 0.00 C ATOM 1119 CD ARG A 72 7.469 7.274 -31.447 1.00 0.00 C ATOM 1120 NE ARG A 72 8.601 6.379 -31.696 1.00 0.00 N ATOM 1121 CZ ARG A 72 9.285 5.757 -30.732 1.00 0.00 C ATOM 1122 NH1 ARG A 72 9.028 6.017 -29.454 1.00 0.00 N ATOM 1123 NH2 ARG A 72 10.250 4.897 -31.047 1.00 0.00 N ATOM 0 H ARG A 72 2.652 7.523 -31.985 1.00 0.00 H new ATOM 0 HA ARG A 72 4.901 6.147 -30.830 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.439 7.815 -33.009 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.280 8.874 -31.895 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.281 6.163 -32.843 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.827 7.716 -33.444 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.830 8.298 -31.348 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.998 7.010 -30.500 1.00 0.00 H new ATOM 0 HE ARG A 72 8.884 6.221 -32.663 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.306 6.694 -29.206 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.553 5.540 -28.721 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.469 4.712 -32.026 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.771 4.423 -30.310 1.00 0.00 H new ATOM 1137 N LEU A 73 5.092 7.257 -28.653 1.00 0.00 N ATOM 1138 CA LEU A 73 5.448 7.913 -27.402 1.00 0.00 C ATOM 1139 C LEU A 73 6.875 8.437 -27.494 1.00 0.00 C ATOM 1140 O LEU A 73 7.577 8.162 -28.470 1.00 0.00 O ATOM 1141 CB LEU A 73 5.316 6.930 -26.233 1.00 0.00 C ATOM 1142 CG LEU A 73 3.925 6.318 -26.046 1.00 0.00 C ATOM 1143 CD1 LEU A 73 3.946 5.273 -24.943 1.00 0.00 C ATOM 1144 CD2 LEU A 73 2.900 7.401 -25.737 1.00 0.00 C ATOM 0 H LEU A 73 5.227 6.246 -28.648 1.00 0.00 H new ATOM 0 HA LEU A 73 4.770 8.748 -27.227 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.034 6.122 -26.376 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.595 7.445 -25.314 1.00 0.00 H new ATOM 0 HG LEU A 73 3.637 5.830 -26.977 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.949 4.849 -24.824 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.648 4.481 -25.205 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.256 5.738 -24.007 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.918 6.946 -25.608 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.183 7.919 -24.821 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.864 8.114 -26.561 1.00 0.00 H new ATOM 1156 N LYS A 74 7.314 9.182 -26.490 1.00 0.00 N ATOM 1157 CA LYS A 74 8.652 9.752 -26.515 1.00 0.00 C ATOM 1158 C LYS A 74 9.543 9.107 -25.458 1.00 0.00 C ATOM 1159 O LYS A 74 9.263 9.180 -24.259 1.00 0.00 O ATOM 1160 CB LYS A 74 8.601 11.278 -26.320 1.00 0.00 C ATOM 1161 CG LYS A 74 7.976 11.722 -25.003 1.00 0.00 C ATOM 1162 CD LYS A 74 8.047 13.230 -24.823 1.00 0.00 C ATOM 1163 CE LYS A 74 7.595 13.642 -23.431 1.00 0.00 C ATOM 1164 NZ LYS A 74 7.728 15.106 -23.207 1.00 0.00 N ATOM 0 H LYS A 74 6.770 9.404 -25.656 1.00 0.00 H new ATOM 0 HA LYS A 74 9.084 9.545 -27.494 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.615 11.674 -26.379 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.038 11.719 -27.143 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.935 11.401 -24.968 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.488 11.233 -24.175 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.068 13.571 -24.992 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.421 13.717 -25.570 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.556 13.347 -23.286 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.185 13.107 -22.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.408 15.341 -22.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.724 15.385 -23.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.145 15.618 -23.900 1.00 0.00 H new ATOM 1178 N GLU A 75 10.601 8.447 -25.907 1.00 0.00 N ATOM 1179 CA GLU A 75 11.592 7.886 -24.999 1.00 0.00 C ATOM 1180 C GLU A 75 12.674 8.921 -24.715 1.00 0.00 C ATOM 1181 O GLU A 75 13.424 9.314 -25.614 1.00 0.00 O ATOM 1182 CB GLU A 75 12.216 6.607 -25.573 1.00 0.00 C ATOM 1183 CG GLU A 75 11.341 5.367 -25.424 1.00 0.00 C ATOM 1184 CD GLU A 75 10.139 5.353 -26.350 1.00 0.00 C ATOM 1185 OE1 GLU A 75 9.081 5.896 -25.970 1.00 0.00 O ATOM 1186 OE2 GLU A 75 10.247 4.785 -27.459 1.00 0.00 O ATOM 0 H GLU A 75 10.796 8.287 -26.895 1.00 0.00 H new ATOM 0 HA GLU A 75 11.091 7.621 -24.068 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.430 6.763 -26.630 1.00 0.00 H new ATOM 0 HB3 GLU A 75 13.170 6.427 -25.078 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.946 4.481 -25.616 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.995 5.299 -24.393 1.00 0.00 H new ATOM 1193 N PRO A 76 12.757 9.387 -23.462 1.00 0.00 N ATOM 1194 CA PRO A 76 13.677 10.450 -23.074 1.00 0.00 C ATOM 1195 C PRO A 76 15.106 9.957 -22.861 1.00 0.00 C ATOM 1196 O PRO A 76 15.382 8.758 -22.907 1.00 0.00 O ATOM 1197 CB PRO A 76 13.083 10.952 -21.759 1.00 0.00 C ATOM 1198 CG PRO A 76 12.429 9.754 -21.164 1.00 0.00 C ATOM 1199 CD PRO A 76 11.955 8.908 -22.320 1.00 0.00 C ATOM 0 HA PRO A 76 13.765 11.212 -23.848 1.00 0.00 H new ATOM 0 HB2 PRO A 76 13.855 11.350 -21.101 1.00 0.00 H new ATOM 0 HB3 PRO A 76 12.364 11.754 -21.929 1.00 0.00 H new ATOM 0 HG2 PRO A 76 13.129 9.200 -20.539 1.00 0.00 H new ATOM 0 HG3 PRO A 76 11.593 10.044 -20.527 1.00 0.00 H new ATOM 0 HD2 PRO A 76 12.120 7.847 -22.133 1.00 0.00 H new ATOM 0 HD3 PRO A 76 10.888 9.038 -22.499 1.00 0.00 H new ATOM 1207 N GLU A 77 16.004 10.901 -22.624 1.00 0.00 N ATOM 1208 CA GLU A 77 17.403 10.600 -22.368 1.00 0.00 C ATOM 1209 C GLU A 77 17.611 10.357 -20.869 1.00 0.00 C ATOM 1210 O GLU A 77 16.648 10.121 -20.135 1.00 0.00 O ATOM 1211 CB GLU A 77 18.261 11.775 -22.854 1.00 0.00 C ATOM 1212 CG GLU A 77 19.442 11.372 -23.726 1.00 0.00 C ATOM 1213 CD GLU A 77 20.486 10.583 -22.969 1.00 0.00 C ATOM 1214 OE1 GLU A 77 21.059 11.123 -22.002 1.00 0.00 O ATOM 1215 OE2 GLU A 77 20.742 9.423 -23.336 1.00 0.00 O ATOM 0 H GLU A 77 15.783 11.897 -22.604 1.00 0.00 H new ATOM 0 HA GLU A 77 17.699 9.699 -22.905 1.00 0.00 H new ATOM 0 HB2 GLU A 77 17.629 12.463 -23.415 1.00 0.00 H new ATOM 0 HB3 GLU A 77 18.634 12.320 -21.987 1.00 0.00 H new ATOM 0 HG2 GLU A 77 19.082 10.778 -24.566 1.00 0.00 H new ATOM 0 HG3 GLU A 77 19.902 12.268 -24.144 1.00 0.00 H new ATOM 1222 N ARG A 78 18.858 10.413 -20.414 1.00 0.00 N ATOM 1223 CA ARG A 78 19.167 10.213 -19.002 1.00 0.00 C ATOM 1224 C ARG A 78 18.809 11.457 -18.199 1.00 0.00 C ATOM 1225 O ARG A 78 18.402 11.371 -17.040 1.00 0.00 O ATOM 1226 CB ARG A 78 20.656 9.899 -18.812 1.00 0.00 C ATOM 1227 CG ARG A 78 21.018 9.505 -17.386 1.00 0.00 C ATOM 1228 CD ARG A 78 22.488 9.757 -17.079 1.00 0.00 C ATOM 1229 NE ARG A 78 23.389 9.012 -17.956 1.00 0.00 N ATOM 1230 CZ ARG A 78 24.692 9.277 -18.067 1.00 0.00 C ATOM 1231 NH1 ARG A 78 25.228 10.269 -17.369 1.00 0.00 N ATOM 1232 NH2 ARG A 78 25.459 8.555 -18.871 1.00 0.00 N ATOM 0 H ARG A 78 19.671 10.595 -21.002 1.00 0.00 H new ATOM 0 HA ARG A 78 18.576 9.369 -18.645 1.00 0.00 H new ATOM 0 HB2 ARG A 78 20.937 9.090 -19.486 1.00 0.00 H new ATOM 0 HB3 ARG A 78 21.243 10.772 -19.099 1.00 0.00 H new ATOM 0 HG2 ARG A 78 20.400 10.068 -16.687 1.00 0.00 H new ATOM 0 HG3 ARG A 78 20.792 8.450 -17.233 1.00 0.00 H new ATOM 0 HD2 ARG A 78 22.696 10.823 -17.174 1.00 0.00 H new ATOM 0 HD3 ARG A 78 22.689 9.484 -16.043 1.00 0.00 H new ATOM 0 HE ARG A 78 23.002 8.250 -18.512 1.00 0.00 H new ATOM 0 HH11 ARG A 78 24.644 10.829 -16.748 1.00 0.00 H new ATOM 0 HH12 ARG A 78 26.224 10.472 -17.453 1.00 0.00 H new ATOM 0 HH21 ARG A 78 25.054 7.790 -19.411 1.00 0.00 H new ATOM 0 HH22 ARG A 78 26.454 8.764 -18.950 1.00 0.00 H new ATOM 1246 N GLU A 79 18.962 12.613 -18.833 1.00 0.00 N ATOM 1247 CA GLU A 79 18.752 13.887 -18.165 1.00 0.00 C ATOM 1248 C GLU A 79 17.273 14.156 -17.908 1.00 0.00 C ATOM 1249 O GLU A 79 16.504 14.466 -18.819 1.00 0.00 O ATOM 1250 CB GLU A 79 19.371 15.030 -18.973 1.00 0.00 C ATOM 1251 CG GLU A 79 18.927 15.088 -20.426 1.00 0.00 C ATOM 1252 CD GLU A 79 19.456 16.315 -21.132 1.00 0.00 C ATOM 1253 OE1 GLU A 79 20.672 16.363 -21.413 1.00 0.00 O ATOM 1254 OE2 GLU A 79 18.665 17.241 -21.407 1.00 0.00 O ATOM 0 H GLU A 79 19.232 12.692 -19.813 1.00 0.00 H new ATOM 0 HA GLU A 79 19.250 13.832 -17.197 1.00 0.00 H new ATOM 0 HB2 GLU A 79 19.120 15.975 -18.492 1.00 0.00 H new ATOM 0 HB3 GLU A 79 20.456 14.934 -18.942 1.00 0.00 H new ATOM 0 HG2 GLU A 79 19.271 14.194 -20.946 1.00 0.00 H new ATOM 0 HG3 GLU A 79 17.838 15.084 -20.473 1.00 0.00 H new ATOM 1261 N ASN A 80 16.884 14.020 -16.654 1.00 0.00 N ATOM 1262 CA ASN A 80 15.532 14.344 -16.236 1.00 0.00 C ATOM 1263 C ASN A 80 15.445 15.806 -15.810 1.00 0.00 C ATOM 1264 O ASN A 80 15.522 16.132 -14.627 1.00 0.00 O ATOM 1265 CB ASN A 80 15.053 13.397 -15.116 1.00 0.00 C ATOM 1266 CG ASN A 80 16.104 13.088 -14.049 1.00 0.00 C ATOM 1267 OD1 ASN A 80 16.159 11.969 -13.532 1.00 0.00 O ATOM 1268 ND2 ASN A 80 16.916 14.069 -13.682 1.00 0.00 N ATOM 0 H ASN A 80 17.488 13.686 -15.903 1.00 0.00 H new ATOM 0 HA ASN A 80 14.864 14.200 -17.085 1.00 0.00 H new ATOM 0 HB2 ASN A 80 14.182 13.840 -14.632 1.00 0.00 H new ATOM 0 HB3 ASN A 80 14.725 12.460 -15.566 1.00 0.00 H new ATOM 0 HD21 ASN A 80 17.611 13.910 -12.953 1.00 0.00 H new ATOM 0 HD22 ASN A 80 16.846 14.983 -14.129 1.00 0.00 H new ATOM 1275 N ARG A 81 15.317 16.690 -16.793 1.00 0.00 N ATOM 1276 CA ARG A 81 15.257 18.120 -16.526 1.00 0.00 C ATOM 1277 C ARG A 81 13.822 18.559 -16.248 1.00 0.00 C ATOM 1278 O ARG A 81 12.872 17.821 -16.521 1.00 0.00 O ATOM 1279 CB ARG A 81 15.846 18.921 -17.692 1.00 0.00 C ATOM 1280 CG ARG A 81 17.349 18.725 -17.861 1.00 0.00 C ATOM 1281 CD ARG A 81 17.952 19.743 -18.820 1.00 0.00 C ATOM 1282 NE ARG A 81 17.498 19.554 -20.196 1.00 0.00 N ATOM 1283 CZ ARG A 81 17.180 20.553 -21.020 1.00 0.00 C ATOM 1284 NH1 ARG A 81 17.292 21.813 -20.621 1.00 0.00 N ATOM 1285 NH2 ARG A 81 16.776 20.295 -22.254 1.00 0.00 N ATOM 0 H ARG A 81 15.253 16.441 -17.780 1.00 0.00 H new ATOM 0 HA ARG A 81 15.857 18.320 -15.638 1.00 0.00 H new ATOM 0 HB2 ARG A 81 15.343 18.630 -18.614 1.00 0.00 H new ATOM 0 HB3 ARG A 81 15.640 19.980 -17.537 1.00 0.00 H new ATOM 0 HG2 ARG A 81 17.837 18.808 -16.890 1.00 0.00 H new ATOM 0 HG3 ARG A 81 17.544 17.718 -18.231 1.00 0.00 H new ATOM 0 HD2 ARG A 81 17.690 20.748 -18.489 1.00 0.00 H new ATOM 0 HD3 ARG A 81 19.039 19.669 -18.786 1.00 0.00 H new ATOM 0 HE ARG A 81 17.420 18.600 -20.548 1.00 0.00 H new ATOM 0 HH11 ARG A 81 17.623 22.022 -19.679 1.00 0.00 H new ATOM 0 HH12 ARG A 81 17.047 22.573 -21.256 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.707 19.330 -22.577 1.00 0.00 H new ATOM 0 HH22 ARG A 81 16.533 21.061 -22.882 1.00 0.00 H new ATOM 1299 N GLU A 82 13.682 19.761 -15.711 1.00 0.00 N ATOM 1300 CA GLU A 82 12.389 20.285 -15.293 1.00 0.00 C ATOM 1301 C GLU A 82 11.522 20.645 -16.508 1.00 0.00 C ATOM 1302 O GLU A 82 12.038 20.879 -17.601 1.00 0.00 O ATOM 1303 CB GLU A 82 12.611 21.507 -14.396 1.00 0.00 C ATOM 1304 CG GLU A 82 11.706 21.552 -13.173 1.00 0.00 C ATOM 1305 CD GLU A 82 10.255 21.770 -13.529 1.00 0.00 C ATOM 1306 OE1 GLU A 82 9.865 22.935 -13.713 1.00 0.00 O ATOM 1307 OE2 GLU A 82 9.507 20.772 -13.657 1.00 0.00 O ATOM 0 H GLU A 82 14.460 20.401 -15.552 1.00 0.00 H new ATOM 0 HA GLU A 82 11.855 19.518 -14.731 1.00 0.00 H new ATOM 0 HB2 GLU A 82 13.650 21.519 -14.067 1.00 0.00 H new ATOM 0 HB3 GLU A 82 12.453 22.410 -14.985 1.00 0.00 H new ATOM 0 HG2 GLU A 82 11.804 20.618 -12.619 1.00 0.00 H new ATOM 0 HG3 GLU A 82 12.037 22.351 -12.510 1.00 0.00 H new ATOM 1314 N LEU A 83 10.207 20.682 -16.306 1.00 0.00 N ATOM 1315 CA LEU A 83 9.259 20.910 -17.391 1.00 0.00 C ATOM 1316 C LEU A 83 8.191 21.935 -16.994 1.00 0.00 C ATOM 1317 O LEU A 83 7.643 22.638 -17.845 1.00 0.00 O ATOM 1318 CB LEU A 83 8.587 19.588 -17.775 1.00 0.00 C ATOM 1319 CG LEU A 83 7.557 19.677 -18.901 1.00 0.00 C ATOM 1320 CD1 LEU A 83 8.226 20.053 -20.215 1.00 0.00 C ATOM 1321 CD2 LEU A 83 6.803 18.360 -19.030 1.00 0.00 C ATOM 0 H LEU A 83 9.772 20.556 -15.392 1.00 0.00 H new ATOM 0 HA LEU A 83 9.810 21.307 -18.244 1.00 0.00 H new ATOM 0 HB2 LEU A 83 9.361 18.879 -18.069 1.00 0.00 H new ATOM 0 HB3 LEU A 83 8.099 19.178 -16.891 1.00 0.00 H new ATOM 0 HG LEU A 83 6.840 20.461 -18.656 1.00 0.00 H new ATOM 0 HD11 LEU A 83 7.475 20.111 -21.002 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.716 21.021 -20.110 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.967 19.297 -20.475 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.072 18.436 -19.835 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.507 17.558 -19.253 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.289 18.142 -18.094 1.00 0.00 H new ATOM 1333 N ARG A 84 7.908 22.027 -15.698 1.00 0.00 N ATOM 1334 CA ARG A 84 6.818 22.867 -15.204 1.00 0.00 C ATOM 1335 C ARG A 84 7.166 24.349 -15.318 1.00 0.00 C ATOM 1336 O ARG A 84 6.283 25.190 -15.516 1.00 0.00 O ATOM 1337 CB ARG A 84 6.509 22.507 -13.748 1.00 0.00 C ATOM 1338 CG ARG A 84 5.272 23.186 -13.185 1.00 0.00 C ATOM 1339 CD ARG A 84 5.018 22.755 -11.749 1.00 0.00 C ATOM 1340 NE ARG A 84 3.740 23.245 -11.236 1.00 0.00 N ATOM 1341 CZ ARG A 84 3.023 22.615 -10.305 1.00 0.00 C ATOM 1342 NH1 ARG A 84 3.467 21.479 -9.777 1.00 0.00 N ATOM 1343 NH2 ARG A 84 1.870 23.126 -9.895 1.00 0.00 N ATOM 0 H ARG A 84 8.419 21.530 -14.968 1.00 0.00 H new ATOM 0 HA ARG A 84 5.937 22.683 -15.819 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.383 21.427 -13.672 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.367 22.772 -13.131 1.00 0.00 H new ATOM 0 HG2 ARG A 84 5.396 24.268 -13.227 1.00 0.00 H new ATOM 0 HG3 ARG A 84 4.406 22.941 -13.800 1.00 0.00 H new ATOM 0 HD2 ARG A 84 5.036 21.667 -11.691 1.00 0.00 H new ATOM 0 HD3 ARG A 84 5.825 23.121 -11.115 1.00 0.00 H new ATOM 0 HE ARG A 84 3.375 24.120 -11.612 1.00 0.00 H new ATOM 0 HH11 ARG A 84 4.358 21.088 -10.084 1.00 0.00 H new ATOM 0 HH12 ARG A 84 2.917 20.998 -9.065 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.531 24.002 -10.292 1.00 0.00 H new ATOM 0 HH22 ARG A 84 1.323 22.643 -9.183 1.00 0.00 H new ATOM 1357 N ARG A 85 8.457 24.641 -15.189 1.00 0.00 N ATOM 1358 CA ARG A 85 8.995 26.001 -15.245 1.00 0.00 C ATOM 1359 C ARG A 85 8.735 26.734 -13.933 1.00 0.00 C ATOM 1360 O ARG A 85 7.620 26.725 -13.409 1.00 0.00 O ATOM 1361 CB ARG A 85 8.452 26.788 -16.446 1.00 0.00 C ATOM 1362 CG ARG A 85 8.884 28.246 -16.475 1.00 0.00 C ATOM 1363 CD ARG A 85 9.399 28.646 -17.847 1.00 0.00 C ATOM 1364 NE ARG A 85 10.716 28.074 -18.128 1.00 0.00 N ATOM 1365 CZ ARG A 85 11.196 27.879 -19.355 1.00 0.00 C ATOM 1366 NH1 ARG A 85 10.450 28.153 -20.418 1.00 0.00 N ATOM 1367 NH2 ARG A 85 12.422 27.403 -19.519 1.00 0.00 N ATOM 0 H ARG A 85 9.172 23.929 -15.040 1.00 0.00 H new ATOM 0 HA ARG A 85 10.073 25.924 -15.385 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.782 26.303 -17.365 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.363 26.742 -16.435 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.042 28.882 -16.202 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.663 28.411 -15.730 1.00 0.00 H new ATOM 0 HD2 ARG A 85 8.692 28.318 -18.609 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.455 29.733 -17.910 1.00 0.00 H new ATOM 0 HE ARG A 85 11.302 27.809 -17.336 1.00 0.00 H new ATOM 0 HH11 ARG A 85 9.504 28.515 -20.298 1.00 0.00 H new ATOM 0 HH12 ARG A 85 10.823 28.002 -21.355 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.998 27.186 -18.706 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.790 27.254 -20.459 1.00 0.00 H new ATOM 1381 N SER A 86 9.785 27.350 -13.408 1.00 0.00 N ATOM 1382 CA SER A 86 9.742 28.017 -12.116 1.00 0.00 C ATOM 1383 C SER A 86 8.597 29.016 -12.003 1.00 0.00 C ATOM 1384 O SER A 86 8.417 29.882 -12.862 1.00 0.00 O ATOM 1385 CB SER A 86 11.059 28.743 -11.864 1.00 0.00 C ATOM 1386 OG SER A 86 12.148 27.836 -11.820 1.00 0.00 O ATOM 0 H SER A 86 10.694 27.401 -13.869 1.00 0.00 H new ATOM 0 HA SER A 86 9.579 27.241 -11.368 1.00 0.00 H new ATOM 0 HB2 SER A 86 11.227 29.479 -12.651 1.00 0.00 H new ATOM 0 HB3 SER A 86 11.001 29.290 -10.923 1.00 0.00 H new ATOM 0 HG SER A 86 12.979 28.330 -11.659 1.00 0.00 H new ATOM 1392 N ASN A 87 7.822 28.876 -10.937 1.00 0.00 N ATOM 1393 CA ASN A 87 6.867 29.897 -10.546 1.00 0.00 C ATOM 1394 C ASN A 87 7.627 30.997 -9.812 1.00 0.00 C ATOM 1395 O ASN A 87 8.848 31.117 -9.963 1.00 0.00 O ATOM 1396 CB ASN A 87 5.791 29.297 -9.635 1.00 0.00 C ATOM 1397 CG ASN A 87 4.985 28.203 -10.311 1.00 0.00 C ATOM 1398 OD1 ASN A 87 5.345 27.027 -10.254 1.00 0.00 O ATOM 1399 ND2 ASN A 87 3.892 28.582 -10.953 1.00 0.00 N ATOM 0 H ASN A 87 7.838 28.060 -10.326 1.00 0.00 H new ATOM 0 HA ASN A 87 6.371 30.305 -11.427 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.264 28.892 -8.741 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.117 30.089 -9.308 1.00 0.00 H new ATOM 0 HD21 ASN A 87 3.312 27.889 -11.425 1.00 0.00 H new ATOM 0 HD22 ASN A 87 3.630 29.567 -10.976 1.00 0.00 H new ATOM 1406 N ASP A 88 6.940 31.802 -9.024 1.00 0.00 N ATOM 1407 CA ASP A 88 7.635 32.781 -8.204 1.00 0.00 C ATOM 1408 C ASP A 88 8.110 32.107 -6.927 1.00 0.00 C ATOM 1409 O ASP A 88 7.572 31.068 -6.539 1.00 0.00 O ATOM 1410 CB ASP A 88 6.742 33.978 -7.869 1.00 0.00 C ATOM 1411 CG ASP A 88 7.528 35.114 -7.236 1.00 0.00 C ATOM 1412 OD1 ASP A 88 8.094 35.939 -7.990 1.00 0.00 O ATOM 1413 OD2 ASP A 88 7.602 35.176 -5.992 1.00 0.00 O ATOM 0 H ASP A 88 5.924 31.801 -8.933 1.00 0.00 H new ATOM 0 HA ASP A 88 8.487 33.162 -8.767 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.257 34.335 -8.778 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.951 33.661 -7.189 1.00 0.00 H new ATOM 1418 N ILE A 89 9.121 32.681 -6.290 1.00 0.00 N ATOM 1419 CA ILE A 89 9.649 32.139 -5.047 1.00 0.00 C ATOM 1420 C ILE A 89 8.555 32.125 -3.985 1.00 0.00 C ATOM 1421 O ILE A 89 8.459 31.186 -3.183 1.00 0.00 O ATOM 1422 CB ILE A 89 10.864 32.957 -4.552 1.00 0.00 C ATOM 1423 CG1 ILE A 89 11.946 33.005 -5.638 1.00 0.00 C ATOM 1424 CG2 ILE A 89 11.429 32.370 -3.264 1.00 0.00 C ATOM 1425 CD1 ILE A 89 12.403 31.640 -6.109 1.00 0.00 C ATOM 0 H ILE A 89 9.593 33.525 -6.615 1.00 0.00 H new ATOM 0 HA ILE A 89 9.986 31.119 -5.233 1.00 0.00 H new ATOM 0 HB ILE A 89 10.530 33.973 -4.341 1.00 0.00 H new ATOM 0 HG12 ILE A 89 11.565 33.565 -6.492 1.00 0.00 H new ATOM 0 HG13 ILE A 89 12.807 33.554 -5.256 1.00 0.00 H new ATOM 0 HG21 ILE A 89 12.283 32.964 -2.937 1.00 0.00 H new ATOM 0 HG22 ILE A 89 10.661 32.383 -2.491 1.00 0.00 H new ATOM 0 HG23 ILE A 89 11.748 31.343 -3.442 1.00 0.00 H new ATOM 0 HD11 ILE A 89 13.168 31.757 -6.876 1.00 0.00 H new ATOM 0 HD12 ILE A 89 12.815 31.084 -5.267 1.00 0.00 H new ATOM 0 HD13 ILE A 89 11.555 31.095 -6.523 1.00 0.00 H new ATOM 1437 N LEU A 90 7.725 33.168 -4.015 1.00 0.00 N ATOM 1438 CA LEU A 90 6.540 33.268 -3.167 1.00 0.00 C ATOM 1439 C LEU A 90 6.911 33.187 -1.682 1.00 0.00 C ATOM 1440 O LEU A 90 8.089 33.293 -1.324 1.00 0.00 O ATOM 1441 CB LEU A 90 5.549 32.160 -3.543 1.00 0.00 C ATOM 1442 CG LEU A 90 4.084 32.457 -3.223 1.00 0.00 C ATOM 1443 CD1 LEU A 90 3.635 33.731 -3.919 1.00 0.00 C ATOM 1444 CD2 LEU A 90 3.206 31.287 -3.636 1.00 0.00 C ATOM 0 H LEU A 90 7.858 33.970 -4.631 1.00 0.00 H new ATOM 0 HA LEU A 90 6.072 34.239 -3.331 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.638 31.963 -4.611 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.839 31.245 -3.025 1.00 0.00 H new ATOM 0 HG LEU A 90 3.986 32.601 -2.147 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.590 33.927 -3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.248 34.566 -3.580 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.745 33.615 -4.997 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.166 31.513 -3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.308 31.116 -4.708 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.514 30.392 -3.095 1.00 0.00 H new ATOM 1456 N ARG A 91 5.898 33.032 -0.822 1.00 0.00 N ATOM 1457 CA ARG A 91 6.097 32.891 0.624 1.00 0.00 C ATOM 1458 C ARG A 91 6.672 34.173 1.219 1.00 0.00 C ATOM 1459 O ARG A 91 7.141 34.186 2.356 1.00 0.00 O ATOM 1460 CB ARG A 91 7.039 31.725 0.932 1.00 0.00 C ATOM 1461 CG ARG A 91 6.691 30.428 0.220 1.00 0.00 C ATOM 1462 CD ARG A 91 7.902 29.516 0.171 1.00 0.00 C ATOM 1463 NE ARG A 91 9.068 30.213 -0.371 1.00 0.00 N ATOM 1464 CZ ARG A 91 10.212 30.390 0.295 1.00 0.00 C ATOM 1465 NH1 ARG A 91 10.393 29.831 1.484 1.00 0.00 N ATOM 1466 NH2 ARG A 91 11.180 31.119 -0.239 1.00 0.00 N ATOM 0 H ARG A 91 4.920 33.001 -1.108 1.00 0.00 H new ATOM 0 HA ARG A 91 5.124 32.693 1.073 1.00 0.00 H new ATOM 0 HB2 ARG A 91 8.054 32.013 0.659 1.00 0.00 H new ATOM 0 HB3 ARG A 91 7.036 31.546 2.007 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.872 29.929 0.738 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.346 30.641 -0.792 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.127 29.151 1.173 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.679 28.644 -0.443 1.00 0.00 H new ATOM 0 HE ARG A 91 9.003 30.588 -1.318 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.655 29.260 1.897 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.270 29.972 1.985 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.051 31.544 -1.157 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.055 31.255 0.268 1.00 0.00 H new ATOM 1480 N LEU A 92 6.629 35.252 0.452 1.00 0.00 N ATOM 1481 CA LEU A 92 7.209 36.508 0.880 1.00 0.00 C ATOM 1482 C LEU A 92 6.257 37.231 1.820 1.00 0.00 C ATOM 1483 O LEU A 92 5.079 37.418 1.503 1.00 0.00 O ATOM 1484 CB LEU A 92 7.548 37.385 -0.330 1.00 0.00 C ATOM 1485 CG LEU A 92 8.300 38.676 -0.007 1.00 0.00 C ATOM 1486 CD1 LEU A 92 9.568 38.373 0.775 1.00 0.00 C ATOM 1487 CD2 LEU A 92 8.630 39.429 -1.283 1.00 0.00 C ATOM 0 H LEU A 92 6.197 35.279 -0.471 1.00 0.00 H new ATOM 0 HA LEU A 92 8.135 36.301 1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.147 36.799 -1.027 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.622 37.642 -0.844 1.00 0.00 H new ATOM 0 HG LEU A 92 7.658 39.305 0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.090 39.304 0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.309 37.872 1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.215 37.726 0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.165 40.346 -1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.254 38.805 -1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.708 39.677 -1.808 1.00 0.00 H new ATOM 1499 N ALA A 93 6.767 37.605 2.985 1.00 0.00 N ATOM 1500 CA ALA A 93 5.971 38.287 3.992 1.00 0.00 C ATOM 1501 C ALA A 93 5.625 39.707 3.557 1.00 0.00 C ATOM 1502 O ALA A 93 6.361 40.652 3.835 1.00 0.00 O ATOM 1503 CB ALA A 93 6.701 38.303 5.328 1.00 0.00 C ATOM 0 H ALA A 93 7.737 37.445 3.256 1.00 0.00 H new ATOM 0 HA ALA A 93 5.038 37.736 4.109 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.090 38.818 6.070 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.884 37.279 5.655 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.652 38.824 5.217 1.00 0.00 H new ATOM 1509 N SER A 94 4.527 39.837 2.834 1.00 0.00 N ATOM 1510 CA SER A 94 4.009 41.134 2.454 1.00 0.00 C ATOM 1511 C SER A 94 2.552 41.229 2.880 1.00 0.00 C ATOM 1512 O SER A 94 1.643 40.817 2.152 1.00 0.00 O ATOM 1513 CB SER A 94 4.153 41.358 0.947 1.00 0.00 C ATOM 1514 OG SER A 94 3.751 42.667 0.574 1.00 0.00 O ATOM 0 H SER A 94 3.974 39.049 2.496 1.00 0.00 H new ATOM 0 HA SER A 94 4.583 41.913 2.955 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.190 41.197 0.652 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.551 40.625 0.410 1.00 0.00 H new ATOM 0 HG SER A 94 3.857 42.778 -0.394 1.00 0.00 H new ATOM 1520 N ALA A 95 2.340 41.728 4.084 1.00 0.00 N ATOM 1521 CA ALA A 95 1.012 41.813 4.659 1.00 0.00 C ATOM 1522 C ALA A 95 0.832 43.133 5.387 1.00 0.00 C ATOM 1523 O ALA A 95 1.792 43.883 5.574 1.00 0.00 O ATOM 1524 CB ALA A 95 0.782 40.647 5.608 1.00 0.00 C ATOM 0 H ALA A 95 3.081 42.084 4.688 1.00 0.00 H new ATOM 0 HA ALA A 95 0.277 41.763 3.855 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -0.218 40.718 6.036 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.877 39.709 5.061 1.00 0.00 H new ATOM 0 HB3 ALA A 95 1.522 40.677 6.408 1.00 0.00 H new ATOM 1530 N TYR A 96 -0.386 43.409 5.812 1.00 0.00 N ATOM 1531 CA TYR A 96 -0.688 44.654 6.499 1.00 0.00 C ATOM 1532 C TYR A 96 -0.548 44.466 8.004 1.00 0.00 C ATOM 1533 O TYR A 96 -1.514 44.609 8.753 1.00 0.00 O ATOM 1534 CB TYR A 96 -2.097 45.128 6.139 1.00 0.00 C ATOM 1535 CG TYR A 96 -2.319 45.223 4.646 1.00 0.00 C ATOM 1536 CD1 TYR A 96 -1.704 46.216 3.895 1.00 0.00 C ATOM 1537 CD2 TYR A 96 -3.133 44.310 3.987 1.00 0.00 C ATOM 1538 CE1 TYR A 96 -1.892 46.295 2.530 1.00 0.00 C ATOM 1539 CE2 TYR A 96 -3.327 44.385 2.622 1.00 0.00 C ATOM 1540 CZ TYR A 96 -2.704 45.378 1.899 1.00 0.00 C ATOM 1541 OH TYR A 96 -2.890 45.452 0.537 1.00 0.00 O ATOM 0 H TYR A 96 -1.186 42.787 5.694 1.00 0.00 H new ATOM 0 HA TYR A 96 0.021 45.418 6.180 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -2.827 44.441 6.567 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -2.274 46.104 6.591 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -1.069 46.938 4.387 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -3.622 43.529 4.551 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -1.405 47.072 1.959 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -3.964 43.669 2.124 1.00 0.00 H new ATOM 0 HH TYR A 96 -3.489 44.732 0.249 1.00 0.00 H new ATOM 1551 N PHE A 97 0.673 44.112 8.413 1.00 0.00 N ATOM 1552 CA PHE A 97 1.022 43.901 9.819 1.00 0.00 C ATOM 1553 C PHE A 97 0.270 42.722 10.428 1.00 0.00 C ATOM 1554 O PHE A 97 -0.956 42.736 10.556 1.00 0.00 O ATOM 1555 CB PHE A 97 0.791 45.170 10.647 1.00 0.00 C ATOM 1556 CG PHE A 97 1.711 46.294 10.277 1.00 0.00 C ATOM 1557 CD1 PHE A 97 3.041 46.264 10.659 1.00 0.00 C ATOM 1558 CD2 PHE A 97 1.249 47.372 9.541 1.00 0.00 C ATOM 1559 CE1 PHE A 97 3.895 47.292 10.318 1.00 0.00 C ATOM 1560 CE2 PHE A 97 2.099 48.403 9.198 1.00 0.00 C ATOM 1561 CZ PHE A 97 3.423 48.361 9.586 1.00 0.00 C ATOM 0 H PHE A 97 1.453 43.963 7.772 1.00 0.00 H new ATOM 0 HA PHE A 97 2.085 43.661 9.844 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.241 45.497 10.518 1.00 0.00 H new ATOM 0 HB3 PHE A 97 0.922 44.935 11.703 1.00 0.00 H new ATOM 0 HD1 PHE A 97 3.414 45.427 11.230 1.00 0.00 H new ATOM 0 HD2 PHE A 97 0.214 47.406 9.233 1.00 0.00 H new ATOM 0 HE1 PHE A 97 4.930 47.260 10.623 1.00 0.00 H new ATOM 0 HE2 PHE A 97 1.729 49.242 8.627 1.00 0.00 H new ATOM 0 HZ PHE A 97 4.090 49.166 9.316 1.00 0.00 H new ATOM 1571 N ALA A 98 1.019 41.695 10.803 1.00 0.00 N ATOM 1572 CA ALA A 98 0.447 40.528 11.451 1.00 0.00 C ATOM 1573 C ALA A 98 0.025 40.873 12.872 1.00 0.00 C ATOM 1574 O ALA A 98 -0.881 40.255 13.435 1.00 0.00 O ATOM 1575 CB ALA A 98 1.447 39.383 11.459 1.00 0.00 C ATOM 0 H ALA A 98 2.029 41.648 10.668 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.433 40.213 10.891 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.003 38.516 11.948 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.713 39.125 10.434 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.343 39.686 12.001 1.00 0.00 H new ATOM 1581 N LYS A 99 0.693 41.864 13.445 1.00 0.00 N ATOM 1582 CA LYS A 99 0.367 42.340 14.777 1.00 0.00 C ATOM 1583 C LYS A 99 -0.676 43.450 14.687 1.00 0.00 C ATOM 1584 O LYS A 99 -0.665 44.246 13.746 1.00 0.00 O ATOM 1585 CB LYS A 99 1.635 42.853 15.470 1.00 0.00 C ATOM 1586 CG LYS A 99 1.474 43.110 16.962 1.00 0.00 C ATOM 1587 CD LYS A 99 1.228 41.818 17.728 1.00 0.00 C ATOM 1588 CE LYS A 99 2.421 40.870 17.641 1.00 0.00 C ATOM 1589 NZ LYS A 99 3.638 41.435 18.281 1.00 0.00 N ATOM 0 H LYS A 99 1.469 42.356 13.002 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.045 41.519 15.364 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.434 42.127 15.323 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.951 43.777 14.986 1.00 0.00 H new ATOM 0 HG2 LYS A 99 2.370 43.597 17.347 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.643 43.795 17.126 1.00 0.00 H new ATOM 0 HD2 LYS A 99 1.023 42.049 18.773 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.341 41.324 17.331 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.167 39.925 18.120 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.632 40.650 16.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.363 40.694 18.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.006 42.215 17.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.398 41.792 19.228 1.00 0.00 H new ATOM 1603 N ALA A 100 -1.583 43.489 15.652 1.00 0.00 N ATOM 1604 CA ALA A 100 -2.620 44.509 15.679 1.00 0.00 C ATOM 1605 C ALA A 100 -2.040 45.848 16.113 1.00 0.00 C ATOM 1606 O ALA A 100 -1.300 45.925 17.097 1.00 0.00 O ATOM 1607 CB ALA A 100 -3.751 44.093 16.607 1.00 0.00 C ATOM 0 H ALA A 100 -1.622 42.826 16.426 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.022 44.618 14.672 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.518 44.867 16.615 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.184 43.157 16.255 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -3.362 43.957 17.616 1.00 0.00 H new ATOM 1613 N GLU A 101 -2.358 46.898 15.371 1.00 0.00 N ATOM 1614 CA GLU A 101 -1.872 48.227 15.703 1.00 0.00 C ATOM 1615 C GLU A 101 -2.588 48.759 16.936 1.00 0.00 C ATOM 1616 O GLU A 101 -1.949 49.205 17.887 1.00 0.00 O ATOM 1617 CB GLU A 101 -2.049 49.177 14.519 1.00 0.00 C ATOM 1618 CG GLU A 101 -1.263 48.757 13.288 1.00 0.00 C ATOM 1619 CD GLU A 101 -1.362 49.764 12.169 1.00 0.00 C ATOM 1620 OE1 GLU A 101 -0.597 50.752 12.182 1.00 0.00 O ATOM 1621 OE2 GLU A 101 -2.215 49.581 11.278 1.00 0.00 O ATOM 0 H GLU A 101 -2.947 46.856 14.540 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.807 48.161 15.926 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -3.107 49.235 14.264 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.738 50.178 14.816 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.216 48.621 13.558 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.630 47.792 12.938 1.00 0.00 H new ATOM 1628 N PHE A 102 -3.910 48.698 16.922 1.00 0.00 N ATOM 1629 CA PHE A 102 -4.701 49.072 18.082 1.00 0.00 C ATOM 1630 C PHE A 102 -4.980 47.842 18.930 1.00 0.00 C ATOM 1631 O PHE A 102 -5.175 46.743 18.406 1.00 0.00 O ATOM 1632 CB PHE A 102 -6.007 49.748 17.658 1.00 0.00 C ATOM 1633 CG PHE A 102 -5.805 51.138 17.128 1.00 0.00 C ATOM 1634 CD1 PHE A 102 -5.422 51.344 15.813 1.00 0.00 C ATOM 1635 CD2 PHE A 102 -5.992 52.237 17.949 1.00 0.00 C ATOM 1636 CE1 PHE A 102 -5.232 52.623 15.326 1.00 0.00 C ATOM 1637 CE2 PHE A 102 -5.802 53.517 17.469 1.00 0.00 C ATOM 1638 CZ PHE A 102 -5.423 53.709 16.156 1.00 0.00 C ATOM 0 H PHE A 102 -4.458 48.392 16.118 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.135 49.790 18.676 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.492 49.141 16.894 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.684 49.786 18.512 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -5.270 50.496 15.162 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -6.290 52.091 18.977 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -4.935 52.773 14.299 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -5.950 54.366 18.119 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.276 54.710 15.778 1.00 0.00 H new ATOM 1648 N ASP A 103 -4.987 48.021 20.240 1.00 0.00 N ATOM 1649 CA ASP A 103 -5.103 46.895 21.153 1.00 0.00 C ATOM 1650 C ASP A 103 -6.553 46.466 21.333 1.00 0.00 C ATOM 1651 O ASP A 103 -7.483 47.254 21.140 1.00 0.00 O ATOM 1652 CB ASP A 103 -4.475 47.238 22.503 1.00 0.00 C ATOM 1653 CG ASP A 103 -4.498 46.067 23.462 1.00 0.00 C ATOM 1654 OD1 ASP A 103 -4.235 44.925 23.020 1.00 0.00 O ATOM 1655 OD2 ASP A 103 -4.773 46.283 24.659 1.00 0.00 O ATOM 0 H ASP A 103 -4.914 48.931 20.695 1.00 0.00 H new ATOM 0 HA ASP A 103 -4.563 46.056 20.715 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -3.445 47.560 22.351 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -5.009 48.078 22.946 1.00 0.00 H new ATOM 1660 N ARG A 104 -6.723 45.202 21.686 1.00 0.00 N ATOM 1661 CA ARG A 104 -8.036 44.613 21.886 1.00 0.00 C ATOM 1662 C ARG A 104 -7.965 43.507 22.941 1.00 0.00 C ATOM 1663 O ARG A 104 -8.986 43.068 23.472 1.00 0.00 O ATOM 1664 CB ARG A 104 -8.547 44.037 20.561 1.00 0.00 C ATOM 1665 CG ARG A 104 -9.921 43.387 20.651 1.00 0.00 C ATOM 1666 CD ARG A 104 -10.279 42.659 19.367 1.00 0.00 C ATOM 1667 NE ARG A 104 -10.308 43.559 18.215 1.00 0.00 N ATOM 1668 CZ ARG A 104 -9.574 43.382 17.117 1.00 0.00 C ATOM 1669 NH1 ARG A 104 -8.779 42.325 17.009 1.00 0.00 N ATOM 1670 NH2 ARG A 104 -9.641 44.259 16.124 1.00 0.00 N ATOM 0 H ARG A 104 -5.951 44.554 21.842 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.722 45.385 22.234 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.583 44.836 19.820 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -7.831 43.299 20.199 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -9.939 42.685 21.485 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.672 44.149 20.860 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -9.555 41.864 19.187 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -11.253 42.183 19.480 1.00 0.00 H new ATOM 0 HE ARG A 104 -10.926 44.369 18.254 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -8.729 41.645 17.768 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -8.218 42.192 16.167 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -10.255 45.070 16.200 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -9.079 44.122 15.284 1.00 0.00 H new ATOM 1684 N LEU A 105 -6.753 43.081 23.269 1.00 0.00 N ATOM 1685 CA LEU A 105 -6.571 41.896 24.091 1.00 0.00 C ATOM 1686 C LEU A 105 -6.635 42.221 25.577 1.00 0.00 C ATOM 1687 O LEU A 105 -5.606 42.380 26.235 1.00 0.00 O ATOM 1688 CB LEU A 105 -5.243 41.213 23.758 1.00 0.00 C ATOM 1689 CG LEU A 105 -5.125 40.705 22.322 1.00 0.00 C ATOM 1690 CD1 LEU A 105 -3.769 40.059 22.093 1.00 0.00 C ATOM 1691 CD2 LEU A 105 -6.251 39.728 22.011 1.00 0.00 C ATOM 0 H LEU A 105 -5.887 43.536 22.980 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.391 41.214 23.865 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.432 41.916 23.947 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.102 40.373 24.438 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.213 41.555 21.645 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.704 39.704 21.065 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.982 40.791 22.274 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.647 39.218 22.776 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.153 39.375 20.984 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.196 38.880 22.693 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.211 40.229 22.132 1.00 0.00 H new ATOM 1703 N TRP A 106 -7.847 42.351 26.096 1.00 0.00 N ATOM 1704 CA TRP A 106 -8.053 42.470 27.533 1.00 0.00 C ATOM 1705 C TRP A 106 -8.140 41.082 28.154 1.00 0.00 C ATOM 1706 O TRP A 106 -8.034 40.918 29.371 1.00 0.00 O ATOM 1707 CB TRP A 106 -9.317 43.275 27.834 1.00 0.00 C ATOM 1708 CG TRP A 106 -9.181 44.725 27.488 1.00 0.00 C ATOM 1709 CD1 TRP A 106 -9.728 45.371 26.416 1.00 0.00 C ATOM 1710 CD2 TRP A 106 -8.436 45.710 28.216 1.00 0.00 C ATOM 1711 NE1 TRP A 106 -9.374 46.698 26.435 1.00 0.00 N ATOM 1712 CE2 TRP A 106 -8.580 46.931 27.531 1.00 0.00 C ATOM 1713 CE3 TRP A 106 -7.666 45.679 29.384 1.00 0.00 C ATOM 1714 CZ2 TRP A 106 -7.979 48.107 27.974 1.00 0.00 C ATOM 1715 CZ3 TRP A 106 -7.070 46.846 29.819 1.00 0.00 C ATOM 1716 CH2 TRP A 106 -7.231 48.046 29.117 1.00 0.00 C ATOM 0 H TRP A 106 -8.704 42.377 25.543 1.00 0.00 H new ATOM 0 HA TRP A 106 -7.207 43.001 27.968 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -10.153 42.851 27.278 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -9.558 43.180 28.893 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -10.348 44.906 25.664 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -9.655 47.397 25.747 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -7.540 44.759 29.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -8.100 49.034 27.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -6.469 46.833 30.716 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -6.755 48.942 29.486 1.00 0.00 H new ATOM 1727 N LYS A 107 -8.331 40.089 27.299 1.00 0.00 N ATOM 1728 CA LYS A 107 -8.335 38.703 27.721 1.00 0.00 C ATOM 1729 C LYS A 107 -7.004 38.055 27.381 1.00 0.00 C ATOM 1730 O LYS A 107 -6.402 38.359 26.348 1.00 0.00 O ATOM 1731 CB LYS A 107 -9.480 37.939 27.055 1.00 0.00 C ATOM 1732 CG LYS A 107 -10.852 38.321 27.581 1.00 0.00 C ATOM 1733 CD LYS A 107 -10.961 38.058 29.075 1.00 0.00 C ATOM 1734 CE LYS A 107 -12.379 38.260 29.583 1.00 0.00 C ATOM 1735 NZ LYS A 107 -13.337 37.314 28.953 1.00 0.00 N ATOM 0 H LYS A 107 -8.486 40.223 26.300 1.00 0.00 H new ATOM 0 HA LYS A 107 -8.483 38.668 28.800 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.449 38.119 25.980 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -9.328 36.870 27.204 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -11.041 39.376 27.380 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -11.618 37.754 27.052 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -10.640 37.038 29.289 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -10.285 38.724 29.611 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -12.399 38.129 30.665 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -12.694 39.284 29.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -14.205 37.267 29.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -13.570 37.643 27.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -12.907 36.369 28.899 1.00 0.00 H new ATOM 1749 N LYS A 108 -6.538 37.184 28.256 1.00 0.00 N ATOM 1750 CA LYS A 108 -5.286 36.481 28.038 1.00 0.00 C ATOM 1751 C LYS A 108 -5.545 35.007 27.730 1.00 0.00 C ATOM 1752 O LYS A 108 -5.428 34.165 28.646 1.00 0.00 O ATOM 1753 CB LYS A 108 -4.370 36.641 29.258 1.00 0.00 C ATOM 1754 CG LYS A 108 -5.054 36.361 30.594 1.00 0.00 C ATOM 1755 CD LYS A 108 -4.078 36.474 31.753 1.00 0.00 C ATOM 1756 CE LYS A 108 -3.498 37.873 31.868 1.00 0.00 C ATOM 1757 NZ LYS A 108 -2.438 37.945 32.905 1.00 0.00 N ATOM 1758 OXT LYS A 108 -5.899 34.702 26.571 1.00 0.00 O ATOM 0 H LYS A 108 -7.009 36.945 29.128 1.00 0.00 H new ATOM 0 HA LYS A 108 -4.782 36.917 27.175 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.519 35.969 29.150 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -3.974 37.657 29.271 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -5.875 37.064 30.738 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -5.489 35.362 30.579 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -4.585 36.213 32.682 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -3.270 35.755 31.619 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -3.086 38.176 30.905 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -4.293 38.578 32.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -2.066 38.915 32.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.837 37.680 33.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -1.667 37.291 32.660 1.00 0.00 H new TER 1772 LYS A 108