USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 842 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: 1 23 TYR OH : rot -158:sc= -3.08! USER MOD Set 1.2: 2 23 TYR OH : rot 15:sc= -1.46! USER MOD Single : 1 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 3 TYR OH : rot 180:sc= 0 USER MOD Single : 1 7 SER OG : rot -156:sc= -1.4! USER MOD Single : 1 9 ASN : amide:sc=-0.00738 X(o=-0.0074,f=0) USER MOD Single : 1 10 GLN : amide:sc= -7.98! C(o=-8!,f=-6.1!) USER MOD Single : 1 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 27 THR OG1 : rot 62:sc= 0.0128 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN : amide:sc= -1.8 K(o=-1.8,f=-0.15) USER MOD Single : 1 33 ASN : amide:sc= -0.238 K(o=-0.24,f=-2.5!) USER MOD Single : 1 40 SER OG : rot 104:sc= 0.112 USER MOD Single : 1 50 LYS NZ :NH3+ -151:sc= -1.21 (180deg=-2.24!) USER MOD Single : 1 53 GLN : amide:sc= -12.6! C(o=-13!,f=-18!) USER MOD Single : 1 58 THR OG1 : rot -120:sc= -0.58 USER MOD Single : 2 1 GLU N :NH3+ -105:sc= 0.0284 (180deg=0) USER MOD Single : 2 3 TYR OH : rot 180:sc= 0 USER MOD Single : 2 7 SER OG : rot 179:sc=-0.00395 USER MOD Single : 2 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 2 10 GLN : amide:sc= -15.8! C(o=-16!,f=-10!) USER MOD Single : 2 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 25 HIS : no HD1:sc= -0.281 X(o=-0.28,f=-0.1) USER MOD Single : 2 27 THR OG1 : rot 59:sc= 0.118 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN : amide:sc= -1.87 K(o=-1.9,f=-0.53) USER MOD Single : 2 33 ASN : amide:sc= -0.0464 X(o=-0.046,f=-0.078) USER MOD Single : 2 40 SER OG : rot 180:sc= -0.294 USER MOD Single : 2 50 LYS NZ :NH3+ -120:sc= 0.288 (180deg=0) USER MOD Single : 2 53 GLN : amide:sc= -17.1! C(o=-17!,f=-26!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -1.57! USER MOD ----------------------------------------------------------------- ATOM 1 N GLU 1 1 -17.145 -7.910 -4.693 1.00 0.00 N ATOM 2 CA GLU 1 1 -15.719 -7.966 -4.422 1.00 0.00 C ATOM 3 C GLU 1 1 -15.422 -9.021 -3.353 1.00 0.00 C ATOM 4 O GLU 1 1 -15.991 -8.982 -2.264 1.00 0.00 O ATOM 5 CB GLU 1 1 -15.185 -6.596 -4.001 1.00 0.00 C ATOM 6 CG GLU 1 1 -14.080 -6.122 -4.946 1.00 0.00 C ATOM 7 CD GLU 1 1 -14.611 -5.957 -6.372 1.00 0.00 C ATOM 8 OE1 GLU 1 1 -15.204 -4.889 -6.635 1.00 0.00 O ATOM 9 OE2 GLU 1 1 -14.411 -6.902 -7.165 1.00 0.00 O ATOM 0 H1 GLU 1 1 -17.332 -7.190 -5.420 1.00 0.00 H new ATOM 0 H2 GLU 1 1 -17.471 -8.838 -5.032 1.00 0.00 H new ATOM 0 H3 GLU 1 1 -17.655 -7.662 -3.821 1.00 0.00 H new ATOM 0 HA GLU 1 1 -15.207 -8.252 -5.341 1.00 0.00 H new ATOM 0 HB2 GLU 1 1 -15.999 -5.871 -3.995 1.00 0.00 H new ATOM 0 HB3 GLU 1 1 -14.799 -6.650 -2.983 1.00 0.00 H new ATOM 0 HG2 GLU 1 1 -13.676 -5.173 -4.592 1.00 0.00 H new ATOM 0 HG3 GLU 1 1 -13.259 -6.839 -4.940 1.00 0.00 H new ATOM 16 N GLU 1 2 -14.534 -9.939 -3.705 1.00 0.00 N ATOM 17 CA GLU 1 2 -14.155 -11.003 -2.790 1.00 0.00 C ATOM 18 C GLU 1 2 -12.988 -10.555 -1.908 1.00 0.00 C ATOM 19 O GLU 1 2 -11.851 -10.976 -2.116 1.00 0.00 O ATOM 20 CB GLU 1 2 -13.808 -12.283 -3.551 1.00 0.00 C ATOM 21 CG GLU 1 2 -14.617 -13.471 -3.026 1.00 0.00 C ATOM 22 CD GLU 1 2 -14.820 -14.522 -4.119 1.00 0.00 C ATOM 23 OE1 GLU 1 2 -13.820 -15.194 -4.453 1.00 0.00 O ATOM 24 OE2 GLU 1 2 -15.970 -14.630 -4.596 1.00 0.00 O ATOM 0 H GLU 1 2 -14.066 -9.968 -4.611 1.00 0.00 H new ATOM 0 HA GLU 1 2 -15.007 -11.222 -2.146 1.00 0.00 H new ATOM 0 HB2 GLU 1 2 -14.008 -12.144 -4.613 1.00 0.00 H new ATOM 0 HB3 GLU 1 2 -12.743 -12.492 -3.452 1.00 0.00 H new ATOM 0 HG2 GLU 1 2 -14.102 -13.919 -2.177 1.00 0.00 H new ATOM 0 HG3 GLU 1 2 -15.585 -13.125 -2.665 1.00 0.00 H new ATOM 31 N TYR 1 3 -13.309 -9.706 -0.943 1.00 0.00 N ATOM 32 CA TYR 1 3 -12.301 -9.196 -0.029 1.00 0.00 C ATOM 33 C TYR 1 3 -11.706 -10.325 0.815 1.00 0.00 C ATOM 34 O TYR 1 3 -11.949 -10.400 2.019 1.00 0.00 O ATOM 35 CB TYR 1 3 -13.025 -8.213 0.893 1.00 0.00 C ATOM 36 CG TYR 1 3 -14.397 -8.699 1.365 1.00 0.00 C ATOM 37 CD1 TYR 1 3 -14.696 -10.045 1.348 1.00 0.00 C ATOM 38 CD2 TYR 1 3 -15.336 -7.789 1.808 1.00 0.00 C ATOM 39 CE1 TYR 1 3 -15.987 -10.502 1.792 1.00 0.00 C ATOM 40 CE2 TYR 1 3 -16.626 -8.246 2.253 1.00 0.00 C ATOM 41 CZ TYR 1 3 -16.889 -9.580 2.222 1.00 0.00 C ATOM 42 OH TYR 1 3 -18.108 -10.011 2.643 1.00 0.00 O ATOM 0 H TYR 1 3 -14.253 -9.358 -0.774 1.00 0.00 H new ATOM 0 HA TYR 1 3 -11.485 -8.728 -0.580 1.00 0.00 H new ATOM 0 HB2 TYR 1 3 -12.400 -8.020 1.765 1.00 0.00 H new ATOM 0 HB3 TYR 1 3 -13.147 -7.264 0.371 1.00 0.00 H new ATOM 0 HD1 TYR 1 3 -13.961 -10.757 1.001 1.00 0.00 H new ATOM 0 HD2 TYR 1 3 -15.103 -6.735 1.821 1.00 0.00 H new ATOM 0 HE1 TYR 1 3 -16.233 -11.553 1.784 1.00 0.00 H new ATOM 0 HE2 TYR 1 3 -17.369 -7.545 2.604 1.00 0.00 H new ATOM 0 HH TYR 1 3 -18.648 -9.242 2.922 1.00 0.00 H new ATOM 52 N VAL 1 4 -10.936 -11.175 0.152 1.00 0.00 N ATOM 53 CA VAL 1 4 -10.304 -12.296 0.826 1.00 0.00 C ATOM 54 C VAL 1 4 -8.785 -12.179 0.688 1.00 0.00 C ATOM 55 O VAL 1 4 -8.075 -12.054 1.684 1.00 0.00 O ATOM 56 CB VAL 1 4 -10.855 -13.615 0.279 1.00 0.00 C ATOM 57 CG1 VAL 1 4 -10.218 -14.811 0.989 1.00 0.00 C ATOM 58 CG2 VAL 1 4 -12.380 -13.659 0.388 1.00 0.00 C ATOM 0 H VAL 1 4 -10.735 -11.110 -0.846 1.00 0.00 H new ATOM 0 HA VAL 1 4 -10.535 -12.280 1.891 1.00 0.00 H new ATOM 0 HB VAL 1 4 -10.594 -13.676 -0.778 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -10.627 -15.736 0.582 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -9.139 -14.793 0.836 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -10.434 -14.758 2.056 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -12.746 -14.607 -0.008 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -12.673 -13.565 1.434 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -12.810 -12.837 -0.184 1.00 0.00 H new ATOM 68 N GLY 1 5 -8.331 -12.223 -0.557 1.00 0.00 N ATOM 69 CA GLY 1 5 -6.910 -12.124 -0.839 1.00 0.00 C ATOM 70 C GLY 1 5 -6.409 -10.693 -0.635 1.00 0.00 C ATOM 71 O GLY 1 5 -5.286 -10.363 -1.016 1.00 0.00 O ATOM 0 H GLY 1 5 -8.923 -12.326 -1.381 1.00 0.00 H new ATOM 0 HA2 GLY 1 5 -6.358 -12.802 -0.188 1.00 0.00 H new ATOM 0 HA3 GLY 1 5 -6.716 -12.438 -1.865 1.00 0.00 H new ATOM 75 N LEU 1 6 -7.266 -9.880 -0.036 1.00 0.00 N ATOM 76 CA LEU 1 6 -6.925 -8.491 0.220 1.00 0.00 C ATOM 77 C LEU 1 6 -7.543 -8.057 1.552 1.00 0.00 C ATOM 78 O LEU 1 6 -7.610 -6.866 1.850 1.00 0.00 O ATOM 79 CB LEU 1 6 -7.333 -7.610 -0.962 1.00 0.00 C ATOM 80 CG LEU 1 6 -7.983 -8.333 -2.144 1.00 0.00 C ATOM 81 CD1 LEU 1 6 -9.421 -8.737 -1.817 1.00 0.00 C ATOM 82 CD2 LEU 1 6 -7.900 -7.487 -3.416 1.00 0.00 C ATOM 0 H LEU 1 6 -8.196 -10.156 0.280 1.00 0.00 H new ATOM 0 HA LEU 1 6 -5.845 -8.376 0.314 1.00 0.00 H new ATOM 0 HB2 LEU 1 6 -8.026 -6.850 -0.601 1.00 0.00 H new ATOM 0 HB3 LEU 1 6 -6.447 -7.088 -1.323 1.00 0.00 H new ATOM 0 HG LEU 1 6 -7.426 -9.251 -2.331 1.00 0.00 H new ATOM 0 HD11 LEU 1 6 -9.859 -9.249 -2.674 1.00 0.00 H new ATOM 0 HD12 LEU 1 6 -9.424 -9.404 -0.955 1.00 0.00 H new ATOM 0 HD13 LEU 1 6 -10.006 -7.846 -1.588 1.00 0.00 H new ATOM 0 HD21 LEU 1 6 -8.369 -8.023 -4.241 1.00 0.00 H new ATOM 0 HD22 LEU 1 6 -8.417 -6.541 -3.258 1.00 0.00 H new ATOM 0 HD23 LEU 1 6 -6.855 -7.293 -3.657 1.00 0.00 H new ATOM 94 N SER 1 7 -7.979 -9.048 2.316 1.00 0.00 N ATOM 95 CA SER 1 7 -8.589 -8.783 3.609 1.00 0.00 C ATOM 96 C SER 1 7 -7.647 -9.222 4.732 1.00 0.00 C ATOM 97 O SER 1 7 -6.596 -9.806 4.472 1.00 0.00 O ATOM 98 CB SER 1 7 -9.937 -9.497 3.737 1.00 0.00 C ATOM 99 OG SER 1 7 -9.842 -10.880 3.408 1.00 0.00 O ATOM 0 H SER 1 7 -7.922 -10.035 2.065 1.00 0.00 H new ATOM 0 HA SER 1 7 -8.766 -7.711 3.691 1.00 0.00 H new ATOM 0 HB2 SER 1 7 -10.308 -9.392 4.757 1.00 0.00 H new ATOM 0 HB3 SER 1 7 -10.665 -9.018 3.082 1.00 0.00 H new ATOM 0 HG SER 1 7 -10.722 -11.212 3.133 1.00 0.00 H new ATOM 105 N ALA 1 8 -8.057 -8.921 5.955 1.00 0.00 N ATOM 106 CA ALA 1 8 -7.262 -9.277 7.119 1.00 0.00 C ATOM 107 C ALA 1 8 -7.157 -10.800 7.212 1.00 0.00 C ATOM 108 O ALA 1 8 -7.928 -11.437 7.930 1.00 0.00 O ATOM 109 CB ALA 1 8 -7.885 -8.657 8.371 1.00 0.00 C ATOM 0 H ALA 1 8 -8.929 -8.435 6.166 1.00 0.00 H new ATOM 0 HA ALA 1 8 -6.250 -8.882 7.029 1.00 0.00 H new ATOM 0 HB1 ALA 1 8 -7.289 -8.924 9.244 1.00 0.00 H new ATOM 0 HB2 ALA 1 8 -7.910 -7.572 8.266 1.00 0.00 H new ATOM 0 HB3 ALA 1 8 -8.901 -9.033 8.496 1.00 0.00 H new ATOM 115 N ASN 1 9 -6.197 -11.342 6.477 1.00 0.00 N ATOM 116 CA ASN 1 9 -5.980 -12.779 6.468 1.00 0.00 C ATOM 117 C ASN 1 9 -4.974 -13.132 5.373 1.00 0.00 C ATOM 118 O ASN 1 9 -4.236 -14.110 5.493 1.00 0.00 O ATOM 119 CB ASN 1 9 -7.281 -13.530 6.177 1.00 0.00 C ATOM 120 CG ASN 1 9 -7.537 -14.613 7.225 1.00 0.00 C ATOM 121 OD1 ASN 1 9 -8.563 -14.645 7.885 1.00 0.00 O ATOM 122 ND2 ASN 1 9 -6.550 -15.497 7.343 1.00 0.00 N ATOM 0 H ASN 1 9 -5.560 -10.811 5.883 1.00 0.00 H new ATOM 0 HA ASN 1 9 -5.608 -13.070 7.450 1.00 0.00 H new ATOM 0 HB2 ASN 1 9 -8.115 -12.828 6.164 1.00 0.00 H new ATOM 0 HB3 ASN 1 9 -7.230 -13.983 5.187 1.00 0.00 H new ATOM 0 HD21 ASN 1 9 -6.626 -16.259 8.017 1.00 0.00 H new ATOM 0 HD22 ASN 1 9 -5.718 -15.413 6.760 1.00 0.00 H new ATOM 129 N GLN 1 10 -4.975 -12.318 4.327 1.00 0.00 N ATOM 130 CA GLN 1 10 -4.071 -12.533 3.210 1.00 0.00 C ATOM 131 C GLN 1 10 -2.618 -12.509 3.692 1.00 0.00 C ATOM 132 O GLN 1 10 -1.771 -13.223 3.157 1.00 0.00 O ATOM 133 CB GLN 1 10 -4.302 -11.495 2.111 1.00 0.00 C ATOM 134 CG GLN 1 10 -3.741 -11.979 0.772 1.00 0.00 C ATOM 135 CD GLN 1 10 -2.637 -11.048 0.270 1.00 0.00 C ATOM 136 OE1 GLN 1 10 -1.474 -11.409 0.189 1.00 0.00 O ATOM 137 NE2 GLN 1 10 -3.063 -9.833 -0.062 1.00 0.00 N ATOM 0 H GLN 1 10 -5.588 -11.508 4.230 1.00 0.00 H new ATOM 0 HA GLN 1 10 -4.276 -13.515 2.784 1.00 0.00 H new ATOM 0 HB2 GLN 1 10 -5.369 -11.297 2.012 1.00 0.00 H new ATOM 0 HB3 GLN 1 10 -3.828 -10.554 2.389 1.00 0.00 H new ATOM 0 HG2 GLN 1 10 -3.347 -12.989 0.883 1.00 0.00 H new ATOM 0 HG3 GLN 1 10 -4.542 -12.029 0.035 1.00 0.00 H new ATOM 0 HE21 GLN 1 10 -4.051 -9.596 0.030 1.00 0.00 H new ATOM 0 HE22 GLN 1 10 -2.402 -9.138 -0.409 1.00 0.00 H new ATOM 146 N CYS 1 11 -2.374 -11.678 4.694 1.00 0.00 N ATOM 147 CA CYS 1 11 -1.039 -11.552 5.254 1.00 0.00 C ATOM 148 C CYS 1 11 -0.645 -12.896 5.867 1.00 0.00 C ATOM 149 O CYS 1 11 0.497 -13.081 6.286 1.00 0.00 O ATOM 150 CB CYS 1 11 -0.958 -10.412 6.273 1.00 0.00 C ATOM 151 SG CYS 1 11 0.693 -10.171 7.025 1.00 0.00 S ATOM 0 H CYS 1 11 -3.078 -11.085 5.133 1.00 0.00 H new ATOM 0 HA CYS 1 11 -0.333 -11.295 4.464 1.00 0.00 H new ATOM 0 HB2 CYS 1 11 -1.258 -9.485 5.785 1.00 0.00 H new ATOM 0 HB3 CYS 1 11 -1.680 -10.602 7.068 1.00 0.00 H new ATOM 156 N ALA 1 12 -1.614 -13.800 5.904 1.00 0.00 N ATOM 157 CA ALA 1 12 -1.382 -15.122 6.459 1.00 0.00 C ATOM 158 C ALA 1 12 -1.284 -16.140 5.322 1.00 0.00 C ATOM 159 O ALA 1 12 -1.480 -17.336 5.534 1.00 0.00 O ATOM 160 CB ALA 1 12 -2.498 -15.461 7.450 1.00 0.00 C ATOM 0 H ALA 1 12 -2.561 -13.642 5.559 1.00 0.00 H new ATOM 0 HA ALA 1 12 -0.439 -15.148 7.005 1.00 0.00 H new ATOM 0 HB1 ALA 1 12 -2.325 -16.453 7.867 1.00 0.00 H new ATOM 0 HB2 ALA 1 12 -2.506 -14.725 8.254 1.00 0.00 H new ATOM 0 HB3 ALA 1 12 -3.459 -15.446 6.935 1.00 0.00 H new ATOM 166 N VAL 1 13 -0.980 -15.628 4.138 1.00 0.00 N ATOM 167 CA VAL 1 13 -0.853 -16.477 2.966 1.00 0.00 C ATOM 168 C VAL 1 13 -0.078 -17.743 3.339 1.00 0.00 C ATOM 169 O VAL 1 13 0.527 -17.811 4.408 1.00 0.00 O ATOM 170 CB VAL 1 13 -0.206 -15.696 1.821 1.00 0.00 C ATOM 171 CG1 VAL 1 13 -1.269 -15.082 0.906 1.00 0.00 C ATOM 172 CG2 VAL 1 13 0.742 -14.622 2.357 1.00 0.00 C ATOM 0 H VAL 1 13 -0.818 -14.636 3.966 1.00 0.00 H new ATOM 0 HA VAL 1 13 -1.836 -16.790 2.614 1.00 0.00 H new ATOM 0 HB VAL 1 13 0.382 -16.397 1.228 1.00 0.00 H new ATOM 0 HG11 VAL 1 13 -0.782 -14.532 0.100 1.00 0.00 H new ATOM 0 HG12 VAL 1 13 -1.887 -15.874 0.483 1.00 0.00 H new ATOM 0 HG13 VAL 1 13 -1.896 -14.402 1.482 1.00 0.00 H new ATOM 0 HG21 VAL 1 13 1.189 -14.082 1.522 1.00 0.00 H new ATOM 0 HG22 VAL 1 13 0.185 -13.926 2.984 1.00 0.00 H new ATOM 0 HG23 VAL 1 13 1.529 -15.093 2.947 1.00 0.00 H new ATOM 182 N PRO 1 14 -0.123 -18.738 2.414 1.00 0.00 N ATOM 183 CA PRO 1 14 0.568 -19.997 2.635 1.00 0.00 C ATOM 184 C PRO 1 14 2.077 -19.836 2.440 1.00 0.00 C ATOM 185 O PRO 1 14 2.823 -20.812 2.507 1.00 0.00 O ATOM 186 CB PRO 1 14 -0.059 -20.969 1.648 1.00 0.00 C ATOM 187 CG PRO 1 14 -0.745 -20.110 0.598 1.00 0.00 C ATOM 188 CD PRO 1 14 -0.830 -18.692 1.137 1.00 0.00 C ATOM 0 HA PRO 1 14 0.460 -20.363 3.656 1.00 0.00 H new ATOM 0 HB2 PRO 1 14 0.698 -21.609 1.195 1.00 0.00 H new ATOM 0 HB3 PRO 1 14 -0.774 -21.624 2.145 1.00 0.00 H new ATOM 0 HG2 PRO 1 14 -0.185 -20.130 -0.337 1.00 0.00 H new ATOM 0 HG3 PRO 1 14 -1.741 -20.496 0.381 1.00 0.00 H new ATOM 0 HD2 PRO 1 14 -0.367 -17.980 0.454 1.00 0.00 H new ATOM 0 HD3 PRO 1 14 -1.866 -18.380 1.269 1.00 0.00 H new ATOM 196 N ALA 1 15 2.482 -18.597 2.203 1.00 0.00 N ATOM 197 CA ALA 1 15 3.888 -18.295 1.997 1.00 0.00 C ATOM 198 C ALA 1 15 4.255 -18.565 0.536 1.00 0.00 C ATOM 199 O ALA 1 15 5.239 -19.250 0.256 1.00 0.00 O ATOM 200 CB ALA 1 15 4.734 -19.117 2.972 1.00 0.00 C ATOM 0 H ALA 1 15 1.860 -17.790 2.149 1.00 0.00 H new ATOM 0 HA ALA 1 15 4.088 -17.243 2.198 1.00 0.00 H new ATOM 0 HB1 ALA 1 15 5.789 -18.891 2.818 1.00 0.00 H new ATOM 0 HB2 ALA 1 15 4.455 -18.867 3.996 1.00 0.00 H new ATOM 0 HB3 ALA 1 15 4.561 -20.179 2.798 1.00 0.00 H new ATOM 206 N LYS 1 16 3.446 -18.015 -0.355 1.00 0.00 N ATOM 207 CA LYS 1 16 3.672 -18.187 -1.780 1.00 0.00 C ATOM 208 C LYS 1 16 2.505 -17.573 -2.556 1.00 0.00 C ATOM 209 O LYS 1 16 2.003 -18.174 -3.505 1.00 0.00 O ATOM 210 CB LYS 1 16 3.922 -19.660 -2.108 1.00 0.00 C ATOM 211 CG LYS 1 16 3.208 -20.573 -1.109 1.00 0.00 C ATOM 212 CD LYS 1 16 2.658 -21.822 -1.803 1.00 0.00 C ATOM 213 CE LYS 1 16 3.583 -23.021 -1.588 1.00 0.00 C ATOM 214 NZ LYS 1 16 2.802 -24.278 -1.558 1.00 0.00 N ATOM 0 H LYS 1 16 2.631 -17.449 -0.118 1.00 0.00 H new ATOM 0 HA LYS 1 16 4.573 -17.658 -2.089 1.00 0.00 H new ATOM 0 HB2 LYS 1 16 3.572 -19.876 -3.118 1.00 0.00 H new ATOM 0 HB3 LYS 1 16 4.993 -19.863 -2.091 1.00 0.00 H new ATOM 0 HG2 LYS 1 16 3.900 -20.866 -0.320 1.00 0.00 H new ATOM 0 HG3 LYS 1 16 2.393 -20.029 -0.632 1.00 0.00 H new ATOM 0 HD2 LYS 1 16 1.665 -22.050 -1.415 1.00 0.00 H new ATOM 0 HD3 LYS 1 16 2.547 -21.630 -2.870 1.00 0.00 H new ATOM 0 HE2 LYS 1 16 4.323 -23.065 -2.387 1.00 0.00 H new ATOM 0 HE3 LYS 1 16 4.130 -22.903 -0.653 1.00 0.00 H new ATOM 0 HZ1 LYS 1 16 3.445 -25.083 -1.411 1.00 0.00 H new ATOM 0 HZ2 LYS 1 16 2.112 -24.240 -0.781 1.00 0.00 H new ATOM 0 HZ3 LYS 1 16 2.300 -24.396 -2.461 1.00 0.00 H new ATOM 228 N ASP 1 17 2.108 -16.386 -2.124 1.00 0.00 N ATOM 229 CA ASP 1 17 1.009 -15.684 -2.766 1.00 0.00 C ATOM 230 C ASP 1 17 1.194 -14.178 -2.579 1.00 0.00 C ATOM 231 O ASP 1 17 0.283 -13.399 -2.857 1.00 0.00 O ATOM 232 CB ASP 1 17 -0.333 -16.078 -2.147 1.00 0.00 C ATOM 233 CG ASP 1 17 -1.562 -15.477 -2.831 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -1.401 -15.015 -3.981 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -2.634 -15.495 -2.189 1.00 0.00 O ATOM 0 H ASP 1 17 2.528 -15.892 -1.337 1.00 0.00 H new ATOM 0 HA ASP 1 17 1.009 -15.951 -3.823 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 -0.420 -17.164 -2.166 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -0.335 -15.777 -1.099 1.00 0.00 H new ATOM 240 N ARG 1 18 2.377 -13.812 -2.108 1.00 0.00 N ATOM 241 CA ARG 1 18 2.691 -12.412 -1.880 1.00 0.00 C ATOM 242 C ARG 1 18 3.354 -11.808 -3.120 1.00 0.00 C ATOM 243 O ARG 1 18 3.664 -12.523 -4.072 1.00 0.00 O ATOM 244 CB ARG 1 18 3.624 -12.246 -0.679 1.00 0.00 C ATOM 245 CG ARG 1 18 3.175 -13.123 0.491 1.00 0.00 C ATOM 246 CD ARG 1 18 4.377 -13.747 1.202 1.00 0.00 C ATOM 247 NE ARG 1 18 3.922 -14.537 2.367 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.630 -14.688 3.495 1.00 0.00 C ATOM 249 NH1 ARG 1 18 5.830 -14.103 3.616 1.00 0.00 N ATOM 250 NH2 ARG 1 18 4.138 -15.422 4.502 1.00 0.00 N ATOM 0 H ARG 1 18 3.130 -14.461 -1.878 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.756 -11.891 -1.674 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.642 -12.510 -0.966 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.641 -11.201 -0.369 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.600 -12.525 1.198 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.514 -13.910 0.127 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.927 -14.386 0.511 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 5.063 -12.965 1.528 1.00 0.00 H new ATOM 0 HE ARG 1 18 3.013 -14.995 2.308 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.204 -13.543 2.850 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.369 -14.218 4.474 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 3.224 -15.866 4.410 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.677 -15.537 5.360 1.00 0.00 H new ATOM 264 N VAL 1 19 3.551 -10.499 -3.068 1.00 0.00 N ATOM 265 CA VAL 1 19 4.172 -9.792 -4.175 1.00 0.00 C ATOM 266 C VAL 1 19 5.594 -9.385 -3.783 1.00 0.00 C ATOM 267 O VAL 1 19 6.171 -8.476 -4.378 1.00 0.00 O ATOM 268 CB VAL 1 19 3.303 -8.601 -4.587 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.641 -8.141 -6.007 1.00 0.00 C ATOM 270 CG2 VAL 1 19 1.816 -8.937 -4.460 1.00 0.00 C ATOM 0 H VAL 1 19 3.292 -9.910 -2.277 1.00 0.00 H new ATOM 0 HA VAL 1 19 4.249 -10.441 -5.047 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.520 -7.777 -3.907 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 3.010 -7.294 -6.275 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.688 -7.842 -6.053 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 3.466 -8.959 -6.706 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 1.221 -8.074 -4.759 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.578 -9.783 -5.105 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.588 -9.194 -3.426 1.00 0.00 H new ATOM 280 N ASP 1 20 6.119 -10.081 -2.784 1.00 0.00 N ATOM 281 CA ASP 1 20 7.463 -9.804 -2.305 1.00 0.00 C ATOM 282 C ASP 1 20 7.758 -8.312 -2.461 1.00 0.00 C ATOM 283 O ASP 1 20 8.315 -7.888 -3.473 1.00 0.00 O ATOM 284 CB ASP 1 20 8.506 -10.580 -3.113 1.00 0.00 C ATOM 285 CG ASP 1 20 9.889 -9.930 -3.175 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.454 -9.693 -2.086 1.00 0.00 O ATOM 287 OD2 ASP 1 20 10.351 -9.685 -4.310 1.00 0.00 O ATOM 0 H ASP 1 20 5.638 -10.835 -2.294 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.518 -10.107 -1.259 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.608 -11.577 -2.684 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 8.135 -10.707 -4.130 1.00 0.00 H new ATOM 292 N CYS 1 21 7.373 -7.555 -1.444 1.00 0.00 N ATOM 293 CA CYS 1 21 7.590 -6.119 -1.455 1.00 0.00 C ATOM 294 C CYS 1 21 9.033 -5.853 -1.890 1.00 0.00 C ATOM 295 O CYS 1 21 9.311 -4.860 -2.560 1.00 0.00 O ATOM 296 CB CYS 1 21 7.279 -5.489 -0.096 1.00 0.00 C ATOM 297 SG CYS 1 21 6.398 -3.886 -0.176 1.00 0.00 S ATOM 0 H CYS 1 21 6.912 -7.910 -0.606 1.00 0.00 H new ATOM 0 HA CYS 1 21 6.906 -5.652 -2.164 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.678 -6.189 0.484 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.214 -5.347 0.445 1.00 0.00 H new ATOM 302 N GLY 1 22 9.913 -6.760 -1.492 1.00 0.00 N ATOM 303 CA GLY 1 22 11.320 -6.637 -1.832 1.00 0.00 C ATOM 304 C GLY 1 22 11.837 -5.230 -1.525 1.00 0.00 C ATOM 305 O GLY 1 22 12.287 -4.520 -2.424 1.00 0.00 O ATOM 0 H GLY 1 22 9.679 -7.583 -0.937 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 11.899 -7.371 -1.272 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.463 -6.858 -2.890 1.00 0.00 H new ATOM 309 N TYR 1 23 11.757 -4.868 -0.253 1.00 0.00 N ATOM 310 CA TYR 1 23 12.211 -3.559 0.183 1.00 0.00 C ATOM 311 C TYR 1 23 13.671 -3.608 0.635 1.00 0.00 C ATOM 312 O TYR 1 23 14.108 -4.591 1.231 1.00 0.00 O ATOM 313 CB TYR 1 23 11.331 -3.184 1.378 1.00 0.00 C ATOM 314 CG TYR 1 23 10.359 -2.036 1.100 1.00 0.00 C ATOM 315 CD1 TYR 1 23 10.788 -0.729 1.206 1.00 0.00 C ATOM 316 CD2 TYR 1 23 9.055 -2.308 0.742 1.00 0.00 C ATOM 317 CE1 TYR 1 23 9.874 0.352 0.944 1.00 0.00 C ATOM 318 CE2 TYR 1 23 8.140 -1.227 0.480 1.00 0.00 C ATOM 319 CZ TYR 1 23 8.595 0.051 0.594 1.00 0.00 C ATOM 320 OH TYR 1 23 7.731 1.071 0.347 1.00 0.00 O ATOM 0 H TYR 1 23 11.384 -5.459 0.490 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.140 -2.837 -0.631 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.762 -4.061 1.686 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 11.972 -2.909 2.216 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 11.809 -0.517 1.486 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 8.720 -3.331 0.658 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 10.197 1.379 1.024 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 7.116 -1.426 0.199 1.00 0.00 H new ATOM 0 HH TYR 1 23 6.810 0.753 0.454 1.00 0.00 H new ATOM 330 N PRO 1 24 14.406 -2.505 0.326 1.00 0.00 N ATOM 331 CA PRO 1 24 15.809 -2.414 0.695 1.00 0.00 C ATOM 332 C PRO 1 24 15.965 -2.142 2.192 1.00 0.00 C ATOM 333 O PRO 1 24 17.077 -2.173 2.718 1.00 0.00 O ATOM 334 CB PRO 1 24 16.370 -1.300 -0.174 1.00 0.00 C ATOM 335 CG PRO 1 24 15.171 -0.501 -0.655 1.00 0.00 C ATOM 336 CD PRO 1 24 13.923 -1.322 -0.378 1.00 0.00 C ATOM 0 HA PRO 1 24 16.351 -3.344 0.527 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 17.056 -0.671 0.393 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 16.931 -1.706 -1.015 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 15.119 0.458 -0.139 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.258 -0.286 -1.720 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.209 -0.765 0.228 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.413 -1.592 -1.303 1.00 0.00 H new ATOM 344 N HIS 1 25 14.837 -1.882 2.835 1.00 0.00 N ATOM 345 CA HIS 1 25 14.836 -1.605 4.262 1.00 0.00 C ATOM 346 C HIS 1 25 13.928 -2.606 4.979 1.00 0.00 C ATOM 347 O HIS 1 25 13.554 -2.397 6.131 1.00 0.00 O ATOM 348 CB HIS 1 25 14.444 -0.151 4.532 1.00 0.00 C ATOM 349 CG HIS 1 25 15.601 0.730 4.939 1.00 0.00 C ATOM 350 ND1 HIS 1 25 15.688 1.327 6.185 1.00 0.00 N ATOM 351 CD2 HIS 1 25 16.718 1.109 4.252 1.00 0.00 C ATOM 352 CE1 HIS 1 25 16.809 2.031 6.234 1.00 0.00 C ATOM 353 NE2 HIS 1 25 17.445 1.896 5.036 1.00 0.00 N ATOM 0 H HIS 1 25 13.917 -1.857 2.395 1.00 0.00 H new ATOM 0 HA HIS 1 25 15.843 -1.730 4.661 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 13.983 0.263 3.635 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 13.689 -0.129 5.318 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 16.968 0.818 3.242 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 17.158 2.611 7.076 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 18.334 2.329 4.783 1.00 0.00 H new ATOM 362 N VAL 1 26 13.597 -3.672 4.265 1.00 0.00 N ATOM 363 CA VAL 1 26 12.739 -4.706 4.818 1.00 0.00 C ATOM 364 C VAL 1 26 13.117 -4.949 6.280 1.00 0.00 C ATOM 365 O VAL 1 26 14.278 -5.217 6.588 1.00 0.00 O ATOM 366 CB VAL 1 26 12.824 -5.971 3.960 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.274 -6.277 3.578 1.00 0.00 C ATOM 368 CG2 VAL 1 26 12.183 -7.161 4.675 1.00 0.00 C ATOM 0 H VAL 1 26 13.908 -3.842 3.308 1.00 0.00 H new ATOM 0 HA VAL 1 26 11.697 -4.387 4.801 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.266 -5.792 3.041 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.307 -7.180 2.969 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.685 -5.442 3.011 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.864 -6.427 4.482 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 12.257 -8.047 4.044 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.701 -7.342 5.617 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 11.134 -6.944 4.874 1.00 0.00 H new ATOM 378 N THR 1 27 12.116 -4.846 7.141 1.00 0.00 N ATOM 379 CA THR 1 27 12.329 -5.050 8.564 1.00 0.00 C ATOM 380 C THR 1 27 10.989 -5.168 9.293 1.00 0.00 C ATOM 381 O THR 1 27 9.973 -4.665 8.817 1.00 0.00 O ATOM 382 CB THR 1 27 13.204 -3.906 9.081 1.00 0.00 C ATOM 383 OG1 THR 1 27 14.368 -4.557 9.584 1.00 0.00 O ATOM 384 CG2 THR 1 27 12.602 -3.217 10.308 1.00 0.00 C ATOM 0 H THR 1 27 11.155 -4.624 6.881 1.00 0.00 H new ATOM 0 HA THR 1 27 12.850 -5.988 8.755 1.00 0.00 H new ATOM 0 HB THR 1 27 13.348 -3.173 8.287 1.00 0.00 H new ATOM 0 HG1 THR 1 27 14.818 -5.033 8.855 1.00 0.00 H new ATOM 0 HG21 THR 1 27 13.262 -2.413 10.634 1.00 0.00 H new ATOM 0 HG22 THR 1 27 11.627 -2.804 10.051 1.00 0.00 H new ATOM 0 HG23 THR 1 27 12.488 -3.943 11.113 1.00 0.00 H new ATOM 392 N PRO 1 28 11.032 -5.855 10.467 1.00 0.00 N ATOM 393 CA PRO 1 28 9.834 -6.044 11.266 1.00 0.00 C ATOM 394 C PRO 1 28 9.449 -4.755 11.994 1.00 0.00 C ATOM 395 O PRO 1 28 9.286 -4.750 13.213 1.00 0.00 O ATOM 396 CB PRO 1 28 10.170 -7.183 12.214 1.00 0.00 C ATOM 397 CG PRO 1 28 11.687 -7.278 12.231 1.00 0.00 C ATOM 398 CD PRO 1 28 12.218 -6.464 11.062 1.00 0.00 C ATOM 0 HA PRO 1 28 8.961 -6.289 10.662 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 9.780 -6.988 13.213 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 9.724 -8.118 11.875 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 12.083 -6.897 13.172 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 12.005 -8.317 12.149 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 12.927 -5.707 11.396 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 12.741 -7.096 10.344 1.00 0.00 H new ATOM 406 N LYS 1 29 9.316 -3.690 11.215 1.00 0.00 N ATOM 407 CA LYS 1 29 8.954 -2.397 11.769 1.00 0.00 C ATOM 408 C LYS 1 29 8.962 -1.349 10.656 1.00 0.00 C ATOM 409 O LYS 1 29 8.358 -0.287 10.793 1.00 0.00 O ATOM 410 CB LYS 1 29 9.861 -2.048 12.951 1.00 0.00 C ATOM 411 CG LYS 1 29 9.062 -1.397 14.082 1.00 0.00 C ATOM 412 CD LYS 1 29 9.014 -2.306 15.312 1.00 0.00 C ATOM 413 CE LYS 1 29 9.634 -1.615 16.529 1.00 0.00 C ATOM 414 NZ LYS 1 29 10.984 -2.157 16.800 1.00 0.00 N ATOM 0 H LYS 1 29 9.453 -3.697 10.204 1.00 0.00 H new ATOM 0 HA LYS 1 29 7.942 -2.425 12.172 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 10.349 -2.951 13.319 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 10.649 -1.371 12.622 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 9.514 -0.442 14.349 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 8.048 -1.186 13.741 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 7.980 -2.575 15.530 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 9.548 -3.233 15.104 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 9.695 -0.541 16.353 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 8.996 -1.759 17.401 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 11.391 -1.678 17.629 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 10.917 -3.178 16.989 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 11.595 -1.997 15.973 1.00 0.00 H new ATOM 428 N GLU 1 30 9.657 -1.683 9.577 1.00 0.00 N ATOM 429 CA GLU 1 30 9.753 -0.783 8.441 1.00 0.00 C ATOM 430 C GLU 1 30 8.760 -1.195 7.353 1.00 0.00 C ATOM 431 O GLU 1 30 8.071 -0.350 6.783 1.00 0.00 O ATOM 432 CB GLU 1 30 11.181 -0.744 7.893 1.00 0.00 C ATOM 433 CG GLU 1 30 11.901 0.533 8.334 1.00 0.00 C ATOM 434 CD GLU 1 30 12.222 0.493 9.829 1.00 0.00 C ATOM 435 OE1 GLU 1 30 11.312 0.841 10.613 1.00 0.00 O ATOM 436 OE2 GLU 1 30 13.368 0.116 10.155 1.00 0.00 O ATOM 0 H GLU 1 30 10.158 -2.564 9.467 1.00 0.00 H new ATOM 0 HA GLU 1 30 9.499 0.223 8.776 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 11.733 -1.617 8.243 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 11.159 -0.796 6.804 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 12.822 0.651 7.764 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 11.278 1.400 8.115 1.00 0.00 H new ATOM 443 N CYS 1 31 8.716 -2.494 7.096 1.00 0.00 N ATOM 444 CA CYS 1 31 7.819 -3.029 6.086 1.00 0.00 C ATOM 445 C CYS 1 31 6.395 -2.581 6.424 1.00 0.00 C ATOM 446 O CYS 1 31 5.700 -2.019 5.579 1.00 0.00 O ATOM 447 CB CYS 1 31 7.928 -4.551 5.980 1.00 0.00 C ATOM 448 SG CYS 1 31 9.458 -5.156 5.176 1.00 0.00 S ATOM 0 H CYS 1 31 9.288 -3.193 7.571 1.00 0.00 H new ATOM 0 HA CYS 1 31 8.099 -2.642 5.106 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 7.868 -4.976 6.982 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 7.069 -4.925 5.423 1.00 0.00 H new ATOM 453 N ASN 1 32 6.004 -2.848 7.661 1.00 0.00 N ATOM 454 CA ASN 1 32 4.675 -2.480 8.120 1.00 0.00 C ATOM 455 C ASN 1 32 4.574 -0.955 8.208 1.00 0.00 C ATOM 456 O ASN 1 32 3.517 -0.418 8.533 1.00 0.00 O ATOM 457 CB ASN 1 32 4.396 -3.052 9.512 1.00 0.00 C ATOM 458 CG ASN 1 32 3.597 -4.354 9.419 1.00 0.00 C ATOM 459 OD1 ASN 1 32 2.505 -4.482 9.948 1.00 0.00 O ATOM 460 ND2 ASN 1 32 4.202 -5.310 8.721 1.00 0.00 N ATOM 0 H ASN 1 32 6.583 -3.314 8.359 1.00 0.00 H new ATOM 0 HA ASN 1 32 3.950 -2.882 7.412 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 5.338 -3.235 10.029 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 3.843 -2.323 10.105 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 3.752 -6.217 8.602 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 5.117 -5.136 8.304 1.00 0.00 H new ATOM 467 N ASN 1 33 5.688 -0.302 7.910 1.00 0.00 N ATOM 468 CA ASN 1 33 5.738 1.149 7.950 1.00 0.00 C ATOM 469 C ASN 1 33 5.643 1.697 6.525 1.00 0.00 C ATOM 470 O ASN 1 33 5.090 2.774 6.305 1.00 0.00 O ATOM 471 CB ASN 1 33 7.053 1.637 8.558 1.00 0.00 C ATOM 472 CG ASN 1 33 6.856 2.960 9.301 1.00 0.00 C ATOM 473 OD1 ASN 1 33 5.746 3.396 9.562 1.00 0.00 O ATOM 474 ND2 ASN 1 33 7.991 3.571 9.628 1.00 0.00 N ATOM 0 H ASN 1 33 6.563 -0.752 7.640 1.00 0.00 H new ATOM 0 HA ASN 1 33 4.906 1.499 8.561 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 7.442 0.885 9.244 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 7.796 1.765 7.771 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 7.966 4.460 10.128 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 8.886 3.151 9.379 1.00 0.00 H new ATOM 481 N ARG 1 34 6.193 0.932 5.593 1.00 0.00 N ATOM 482 CA ARG 1 34 6.176 1.329 4.194 1.00 0.00 C ATOM 483 C ARG 1 34 4.836 0.966 3.555 1.00 0.00 C ATOM 484 O ARG 1 34 4.434 1.570 2.562 1.00 0.00 O ATOM 485 CB ARG 1 34 7.306 0.649 3.417 1.00 0.00 C ATOM 486 CG ARG 1 34 8.582 0.573 4.256 1.00 0.00 C ATOM 487 CD ARG 1 34 9.735 1.307 3.569 1.00 0.00 C ATOM 488 NE ARG 1 34 10.393 2.227 4.524 1.00 0.00 N ATOM 489 CZ ARG 1 34 11.583 2.804 4.314 1.00 0.00 C ATOM 490 NH1 ARG 1 34 12.255 2.560 3.181 1.00 0.00 N ATOM 491 NH2 ARG 1 34 12.102 3.625 5.237 1.00 0.00 N ATOM 0 H ARG 1 34 6.653 0.041 5.778 1.00 0.00 H new ATOM 0 HA ARG 1 34 6.319 2.409 4.153 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 6.998 -0.355 3.126 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 7.503 1.201 2.498 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 8.402 1.010 5.238 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 8.854 -0.470 4.416 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 10.459 0.587 3.188 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 9.361 1.867 2.712 1.00 0.00 H new ATOM 0 HE ARG 1 34 9.909 2.435 5.398 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 11.860 1.935 2.478 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 13.161 2.999 3.021 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 11.591 3.811 6.100 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 13.008 4.064 5.077 1.00 0.00 H new ATOM 505 N GLY 1 35 4.180 -0.019 4.150 1.00 0.00 N ATOM 506 CA GLY 1 35 2.892 -0.471 3.651 1.00 0.00 C ATOM 507 C GLY 1 35 2.948 -1.944 3.242 1.00 0.00 C ATOM 508 O GLY 1 35 2.166 -2.389 2.403 1.00 0.00 O ATOM 0 H GLY 1 35 4.516 -0.517 4.974 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 2.131 -0.332 4.419 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 2.596 0.136 2.796 1.00 0.00 H new ATOM 512 N CYS 1 36 3.879 -2.659 3.854 1.00 0.00 N ATOM 513 CA CYS 1 36 4.047 -4.074 3.565 1.00 0.00 C ATOM 514 C CYS 1 36 3.747 -4.864 4.841 1.00 0.00 C ATOM 515 O CYS 1 36 3.445 -4.280 5.880 1.00 0.00 O ATOM 516 CB CYS 1 36 5.444 -4.378 3.020 1.00 0.00 C ATOM 517 SG CYS 1 36 5.958 -3.340 1.604 1.00 0.00 S ATOM 0 H CYS 1 36 4.526 -2.286 4.549 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.350 -4.373 2.782 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.168 -4.253 3.825 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.481 -5.425 2.717 1.00 0.00 H new ATOM 522 N CYS 1 37 3.841 -6.180 4.719 1.00 0.00 N ATOM 523 CA CYS 1 37 3.583 -7.057 5.849 1.00 0.00 C ATOM 524 C CYS 1 37 4.814 -7.942 6.061 1.00 0.00 C ATOM 525 O CYS 1 37 5.262 -8.618 5.136 1.00 0.00 O ATOM 526 CB CYS 1 37 2.312 -7.884 5.646 1.00 0.00 C ATOM 527 SG CYS 1 37 1.509 -8.449 7.189 1.00 0.00 S ATOM 0 H CYS 1 37 4.092 -6.660 3.855 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.408 -6.460 6.744 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 1.596 -7.290 5.077 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.556 -8.756 5.040 1.00 0.00 H new ATOM 532 N PHE 1 38 5.323 -7.909 7.283 1.00 0.00 N ATOM 533 CA PHE 1 38 6.492 -8.701 7.628 1.00 0.00 C ATOM 534 C PHE 1 38 6.087 -10.083 8.143 1.00 0.00 C ATOM 535 O PHE 1 38 5.353 -10.192 9.125 1.00 0.00 O ATOM 536 CB PHE 1 38 7.228 -7.950 8.739 1.00 0.00 C ATOM 537 CG PHE 1 38 8.601 -8.535 9.081 1.00 0.00 C ATOM 538 CD1 PHE 1 38 9.691 -8.189 8.345 1.00 0.00 C ATOM 539 CD2 PHE 1 38 8.730 -9.401 10.122 1.00 0.00 C ATOM 540 CE1 PHE 1 38 10.964 -8.731 8.663 1.00 0.00 C ATOM 541 CE2 PHE 1 38 10.004 -9.942 10.440 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.093 -9.597 9.703 1.00 0.00 C ATOM 0 H PHE 1 38 4.948 -7.347 8.047 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.119 -8.842 6.748 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 7.352 -6.909 8.440 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 6.610 -7.952 9.637 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 9.588 -7.502 7.518 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 7.864 -9.677 10.706 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 11.830 -8.455 8.079 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 10.108 -10.628 11.268 1.00 0.00 H new ATOM 0 HZ PHE 1 38 12.061 -10.011 9.944 1.00 0.00 H new ATOM 552 N ASP 1 39 6.582 -11.104 7.460 1.00 0.00 N ATOM 553 CA ASP 1 39 6.281 -12.474 7.836 1.00 0.00 C ATOM 554 C ASP 1 39 7.331 -12.967 8.833 1.00 0.00 C ATOM 555 O ASP 1 39 7.103 -12.945 10.042 1.00 0.00 O ATOM 556 CB ASP 1 39 6.313 -13.400 6.619 1.00 0.00 C ATOM 557 CG ASP 1 39 6.215 -14.893 6.939 1.00 0.00 C ATOM 558 OD1 ASP 1 39 5.103 -15.320 7.319 1.00 0.00 O ATOM 559 OD2 ASP 1 39 7.253 -15.572 6.797 1.00 0.00 O ATOM 0 H ASP 1 39 7.191 -11.009 6.647 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.284 -12.491 8.275 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.491 -13.131 5.955 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.237 -13.222 6.070 1.00 0.00 H new ATOM 564 N SER 1 40 8.459 -13.400 8.289 1.00 0.00 N ATOM 565 CA SER 1 40 9.545 -13.898 9.116 1.00 0.00 C ATOM 566 C SER 1 40 9.387 -15.403 9.337 1.00 0.00 C ATOM 567 O SER 1 40 10.351 -16.089 9.675 1.00 0.00 O ATOM 568 CB SER 1 40 9.595 -13.166 10.460 1.00 0.00 C ATOM 569 OG SER 1 40 10.924 -13.066 10.964 1.00 0.00 O ATOM 0 H SER 1 40 8.644 -13.416 7.286 1.00 0.00 H new ATOM 0 HA SER 1 40 10.484 -13.710 8.596 1.00 0.00 H new ATOM 0 HB2 SER 1 40 9.175 -12.167 10.345 1.00 0.00 H new ATOM 0 HB3 SER 1 40 8.972 -13.692 11.183 1.00 0.00 H new ATOM 0 HG SER 1 40 11.259 -12.156 10.824 1.00 0.00 H new ATOM 575 N ARG 1 41 8.164 -15.874 9.138 1.00 0.00 N ATOM 576 CA ARG 1 41 7.868 -17.286 9.311 1.00 0.00 C ATOM 577 C ARG 1 41 8.856 -18.137 8.511 1.00 0.00 C ATOM 578 O ARG 1 41 9.525 -19.006 9.069 1.00 0.00 O ATOM 579 CB ARG 1 41 6.443 -17.608 8.858 1.00 0.00 C ATOM 580 CG ARG 1 41 5.412 -16.974 9.794 1.00 0.00 C ATOM 581 CD ARG 1 41 4.234 -17.920 10.034 1.00 0.00 C ATOM 582 NE ARG 1 41 4.340 -18.530 11.377 1.00 0.00 N ATOM 583 CZ ARG 1 41 3.494 -19.456 11.852 1.00 0.00 C ATOM 584 NH1 ARG 1 41 2.476 -19.883 11.093 1.00 0.00 N ATOM 585 NH2 ARG 1 41 3.669 -19.954 13.084 1.00 0.00 N ATOM 0 H ARG 1 41 7.367 -15.302 8.859 1.00 0.00 H new ATOM 0 HA ARG 1 41 7.961 -17.518 10.372 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 6.290 -17.243 7.842 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 6.301 -18.688 8.834 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 5.883 -16.726 10.745 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 5.051 -16.040 9.364 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 3.295 -17.374 9.947 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 4.222 -18.699 9.272 1.00 0.00 H new ATOM 0 HE ARG 1 41 5.105 -18.227 11.980 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 2.345 -19.504 10.155 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 1.832 -20.587 11.453 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 4.445 -19.629 13.660 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 3.026 -20.658 13.446 1.00 0.00 H new ATOM 599 N ILE 1 42 8.915 -17.858 7.218 1.00 0.00 N ATOM 600 CA ILE 1 42 9.810 -18.589 6.335 1.00 0.00 C ATOM 601 C ILE 1 42 10.862 -17.629 5.775 1.00 0.00 C ATOM 602 O ILE 1 42 10.523 -16.590 5.212 1.00 0.00 O ATOM 603 CB ILE 1 42 9.014 -19.327 5.256 1.00 0.00 C ATOM 604 CG1 ILE 1 42 7.530 -19.392 5.619 1.00 0.00 C ATOM 605 CG2 ILE 1 42 9.603 -20.715 4.994 1.00 0.00 C ATOM 606 CD1 ILE 1 42 6.758 -20.247 4.612 1.00 0.00 C ATOM 0 H ILE 1 42 8.358 -17.136 6.760 1.00 0.00 H new ATOM 0 HA ILE 1 42 10.344 -19.361 6.888 1.00 0.00 H new ATOM 0 HB ILE 1 42 9.093 -18.764 4.326 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 7.414 -19.808 6.620 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 7.113 -18.385 5.642 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 9.019 -21.218 4.223 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 10.636 -20.615 4.660 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 9.574 -21.302 5.912 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 5.705 -20.278 4.892 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 6.856 -19.814 3.616 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 7.162 -21.259 4.609 1.00 0.00 H new ATOM 618 N PRO 1 43 12.152 -18.023 5.954 1.00 0.00 N ATOM 619 CA PRO 1 43 13.256 -17.209 5.473 1.00 0.00 C ATOM 620 C PRO 1 43 13.397 -17.319 3.954 1.00 0.00 C ATOM 621 O PRO 1 43 14.120 -16.539 3.336 1.00 0.00 O ATOM 622 CB PRO 1 43 14.475 -17.720 6.222 1.00 0.00 C ATOM 623 CG PRO 1 43 14.099 -19.097 6.743 1.00 0.00 C ATOM 624 CD PRO 1 43 12.591 -19.247 6.617 1.00 0.00 C ATOM 0 HA PRO 1 43 13.108 -16.145 5.659 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 15.342 -17.775 5.564 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.738 -17.051 7.041 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 14.609 -19.873 6.173 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 14.408 -19.210 7.782 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 12.328 -20.130 6.034 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 12.121 -19.359 7.594 1.00 0.00 H new ATOM 632 N GLY 1 44 12.694 -18.294 3.396 1.00 0.00 N ATOM 633 CA GLY 1 44 12.732 -18.517 1.960 1.00 0.00 C ATOM 634 C GLY 1 44 11.602 -17.761 1.259 1.00 0.00 C ATOM 635 O GLY 1 44 11.556 -17.706 0.030 1.00 0.00 O ATOM 0 H GLY 1 44 12.095 -18.938 3.912 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 13.693 -18.191 1.563 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 12.645 -19.583 1.751 1.00 0.00 H new ATOM 639 N VAL 1 45 10.717 -17.199 2.068 1.00 0.00 N ATOM 640 CA VAL 1 45 9.589 -16.450 1.541 1.00 0.00 C ATOM 641 C VAL 1 45 9.822 -14.956 1.771 1.00 0.00 C ATOM 642 O VAL 1 45 10.740 -14.571 2.495 1.00 0.00 O ATOM 643 CB VAL 1 45 8.287 -16.956 2.164 1.00 0.00 C ATOM 644 CG1 VAL 1 45 7.712 -15.928 3.141 1.00 0.00 C ATOM 645 CG2 VAL 1 45 7.265 -17.318 1.084 1.00 0.00 C ATOM 0 H VAL 1 45 10.758 -17.247 3.086 1.00 0.00 H new ATOM 0 HA VAL 1 45 9.499 -16.602 0.466 1.00 0.00 H new ATOM 0 HB VAL 1 45 8.514 -17.862 2.725 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 6.787 -16.312 3.570 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 8.432 -15.741 3.938 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 7.508 -14.997 2.612 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 6.349 -17.675 1.555 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 7.044 -16.437 0.482 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.673 -18.101 0.445 1.00 0.00 H new ATOM 655 N PRO 1 46 8.952 -14.132 1.127 1.00 0.00 N ATOM 656 CA PRO 1 46 9.055 -12.688 1.255 1.00 0.00 C ATOM 657 C PRO 1 46 8.540 -12.222 2.619 1.00 0.00 C ATOM 658 O PRO 1 46 7.342 -12.279 2.888 1.00 0.00 O ATOM 659 CB PRO 1 46 8.247 -12.132 0.094 1.00 0.00 C ATOM 660 CG PRO 1 46 7.345 -13.265 -0.367 1.00 0.00 C ATOM 661 CD PRO 1 46 7.853 -14.552 0.263 1.00 0.00 C ATOM 0 HA PRO 1 46 10.085 -12.333 1.212 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.660 -11.268 0.405 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 8.900 -11.800 -0.713 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.313 -13.076 -0.070 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.355 -13.342 -1.454 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 7.069 -15.050 0.833 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 8.193 -15.257 -0.496 1.00 0.00 H new ATOM 669 N TRP 1 47 9.473 -11.768 3.443 1.00 0.00 N ATOM 670 CA TRP 1 47 9.130 -11.291 4.772 1.00 0.00 C ATOM 671 C TRP 1 47 8.757 -9.811 4.662 1.00 0.00 C ATOM 672 O TRP 1 47 8.958 -9.045 5.602 1.00 0.00 O ATOM 673 CB TRP 1 47 10.271 -11.547 5.759 1.00 0.00 C ATOM 674 CG TRP 1 47 11.442 -12.332 5.166 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.576 -13.662 5.058 1.00 0.00 C ATOM 676 CD2 TRP 1 47 12.648 -11.778 4.597 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.774 -14.003 4.466 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.447 -12.822 4.176 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.050 -10.440 4.444 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 14.698 -12.636 3.574 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.302 -10.271 3.842 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.119 -11.311 3.412 1.00 0.00 C ATOM 0 H TRP 1 47 10.466 -11.720 3.216 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.274 -11.838 5.168 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 10.639 -10.590 6.129 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 9.879 -12.092 6.618 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 10.838 -14.376 5.393 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 13.105 -14.949 4.276 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 12.441 -9.608 4.766 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.305 -13.470 3.252 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 14.659 -9.261 3.701 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.074 -11.097 2.955 1.00 0.00 H new ATOM 693 N CYS 1 48 8.220 -9.454 3.504 1.00 0.00 N ATOM 694 CA CYS 1 48 7.817 -8.080 3.259 1.00 0.00 C ATOM 695 C CYS 1 48 6.986 -8.044 1.976 1.00 0.00 C ATOM 696 O CYS 1 48 7.532 -8.105 0.875 1.00 0.00 O ATOM 697 CB CYS 1 48 9.025 -7.141 3.182 1.00 0.00 C ATOM 698 SG CYS 1 48 8.620 -5.361 3.296 1.00 0.00 S ATOM 0 H CYS 1 48 8.055 -10.092 2.726 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.213 -7.722 4.093 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.716 -7.394 3.986 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.548 -7.321 2.243 1.00 0.00 H new ATOM 703 N PHE 1 49 5.677 -7.948 2.159 1.00 0.00 N ATOM 704 CA PHE 1 49 4.764 -7.904 1.030 1.00 0.00 C ATOM 705 C PHE 1 49 3.573 -6.990 1.322 1.00 0.00 C ATOM 706 O PHE 1 49 3.553 -6.296 2.338 1.00 0.00 O ATOM 707 CB PHE 1 49 4.255 -9.331 0.811 1.00 0.00 C ATOM 708 CG PHE 1 49 4.137 -10.153 2.095 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.257 -10.525 2.770 1.00 0.00 C ATOM 710 CD2 PHE 1 49 2.911 -10.513 2.562 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.147 -11.288 3.963 1.00 0.00 C ATOM 712 CE2 PHE 1 49 2.801 -11.276 3.755 1.00 0.00 C ATOM 713 CZ PHE 1 49 3.922 -11.648 4.430 1.00 0.00 C ATOM 0 H PHE 1 49 5.227 -7.899 3.073 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.278 -7.515 0.151 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.279 -9.287 0.329 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 4.928 -9.844 0.124 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.231 -10.240 2.399 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.021 -10.219 2.025 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.037 -11.582 4.499 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 1.828 -11.561 4.126 1.00 0.00 H new ATOM 0 HZ PHE 1 49 3.839 -12.229 5.337 1.00 0.00 H new ATOM 723 N LYS 1 50 2.609 -7.019 0.414 1.00 0.00 N ATOM 724 CA LYS 1 50 1.417 -6.201 0.562 1.00 0.00 C ATOM 725 C LYS 1 50 0.183 -7.104 0.582 1.00 0.00 C ATOM 726 O LYS 1 50 -0.586 -7.134 -0.377 1.00 0.00 O ATOM 727 CB LYS 1 50 1.371 -5.121 -0.521 1.00 0.00 C ATOM 728 CG LYS 1 50 2.171 -5.545 -1.753 1.00 0.00 C ATOM 729 CD LYS 1 50 3.610 -5.028 -1.676 1.00 0.00 C ATOM 730 CE LYS 1 50 3.639 -3.531 -1.368 1.00 0.00 C ATOM 731 NZ LYS 1 50 2.521 -2.839 -2.048 1.00 0.00 N ATOM 0 H LYS 1 50 2.629 -7.596 -0.427 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.437 -5.667 1.512 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.336 -4.929 -0.804 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 1.772 -4.188 -0.126 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 2.175 -6.632 -1.832 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 1.690 -5.161 -2.653 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 4.155 -5.572 -0.905 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 4.120 -5.218 -2.621 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 3.570 -3.374 -0.292 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 4.589 -3.106 -1.692 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 2.795 -1.857 -2.255 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 2.297 -3.331 -2.936 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 1.684 -2.842 -1.431 1.00 0.00 H new ATOM 745 N PRO 1 51 0.027 -7.839 1.717 1.00 0.00 N ATOM 746 CA PRO 1 51 -1.101 -8.741 1.875 1.00 0.00 C ATOM 747 C PRO 1 51 -2.388 -7.965 2.159 1.00 0.00 C ATOM 748 O PRO 1 51 -3.026 -7.455 1.239 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.705 -9.671 3.010 1.00 0.00 C ATOM 750 CG PRO 1 51 0.421 -8.967 3.751 1.00 0.00 C ATOM 751 CD PRO 1 51 0.917 -7.829 2.874 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.316 -9.309 0.970 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.550 -9.861 3.672 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.377 -10.637 2.627 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.067 -8.585 4.708 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.231 -9.664 3.966 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 0.872 -6.875 3.400 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 1.955 -7.981 2.577 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.733 -7.901 3.437 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.932 -7.195 3.854 1.00 0.00 C ATOM 761 C LEU 1 52 -3.569 -5.759 4.235 1.00 0.00 C ATOM 762 O LEU 1 52 -4.187 -5.173 5.122 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.646 -7.965 4.968 1.00 0.00 C ATOM 764 CG LEU 1 52 -4.127 -7.726 6.387 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -5.093 -6.848 7.184 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -3.840 -9.052 7.095 1.00 0.00 C ATOM 0 H LEU 1 52 -2.203 -8.327 4.197 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.644 -7.135 3.031 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.704 -7.706 4.941 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -4.573 -9.031 4.750 1.00 0.00 H new ATOM 0 HG LEU 1 52 -3.183 -7.185 6.319 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -4.700 -6.694 8.189 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -5.204 -5.885 6.686 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -6.064 -7.339 7.246 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -3.472 -8.855 8.102 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -4.756 -9.640 7.152 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -3.087 -9.607 6.536 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.568 -5.233 3.544 1.00 0.00 N ATOM 779 CA GLN 1 53 -2.113 -3.877 3.799 1.00 0.00 C ATOM 780 C GLN 1 53 -3.297 -2.908 3.771 1.00 0.00 C ATOM 781 O GLN 1 53 -3.211 -1.803 4.305 1.00 0.00 O ATOM 782 CB GLN 1 53 -1.040 -3.460 2.793 1.00 0.00 C ATOM 783 CG GLN 1 53 0.181 -4.379 2.881 1.00 0.00 C ATOM 784 CD GLN 1 53 0.755 -4.394 4.298 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.545 -3.548 4.684 1.00 0.00 O ATOM 786 NE2 GLN 1 53 0.316 -5.399 5.050 1.00 0.00 N ATOM 0 H GLN 1 53 -2.059 -5.722 2.807 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.664 -3.845 4.792 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -1.451 -3.491 1.784 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.739 -2.430 2.983 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 -0.099 -5.391 2.588 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 0.944 -4.043 2.179 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 -0.346 -6.073 4.665 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 0.641 -5.496 6.012 1.00 0.00 H new ATOM 795 N GLU 1 54 -4.374 -3.356 3.143 1.00 0.00 N ATOM 796 CA GLU 1 54 -5.573 -2.542 3.040 1.00 0.00 C ATOM 797 C GLU 1 54 -5.828 -1.801 4.353 1.00 0.00 C ATOM 798 O GLU 1 54 -6.433 -0.730 4.359 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.781 -3.394 2.647 1.00 0.00 C ATOM 800 CG GLU 1 54 -8.028 -2.967 3.424 1.00 0.00 C ATOM 801 CD GLU 1 54 -8.019 -3.551 4.837 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -7.865 -4.787 4.940 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -8.168 -2.748 5.784 1.00 0.00 O ATOM 0 H GLU 1 54 -4.441 -4.272 2.700 1.00 0.00 H new ATOM 0 HA GLU 1 54 -5.420 -1.803 2.254 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -6.965 -3.299 1.577 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.568 -4.445 2.842 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -8.074 -1.879 3.476 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -8.922 -3.298 2.895 1.00 0.00 H new ATOM 810 N ALA 1 55 -5.353 -2.401 5.435 1.00 0.00 N ATOM 811 CA ALA 1 55 -5.522 -1.812 6.752 1.00 0.00 C ATOM 812 C ALA 1 55 -5.403 -0.291 6.645 1.00 0.00 C ATOM 813 O ALA 1 55 -6.403 0.421 6.718 1.00 0.00 O ATOM 814 CB ALA 1 55 -4.496 -2.412 7.715 1.00 0.00 C ATOM 0 H ALA 1 55 -4.851 -3.289 5.426 1.00 0.00 H new ATOM 0 HA ALA 1 55 -6.512 -2.037 7.149 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -4.623 -1.970 8.703 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -4.643 -3.490 7.778 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -3.490 -2.204 7.351 1.00 0.00 H new ATOM 820 N GLU 1 56 -4.170 0.163 6.473 1.00 0.00 N ATOM 821 CA GLU 1 56 -3.906 1.587 6.355 1.00 0.00 C ATOM 822 C GLU 1 56 -3.095 1.873 5.090 1.00 0.00 C ATOM 823 O GLU 1 56 -2.400 2.885 5.009 1.00 0.00 O ATOM 824 CB GLU 1 56 -3.187 2.117 7.598 1.00 0.00 C ATOM 825 CG GLU 1 56 -3.697 3.510 7.973 1.00 0.00 C ATOM 826 CD GLU 1 56 -2.655 4.272 8.795 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -1.733 4.832 8.163 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -2.803 4.276 10.036 1.00 0.00 O ATOM 0 H GLU 1 56 -3.343 -0.430 6.413 1.00 0.00 H new ATOM 0 HA GLU 1 56 -4.860 2.108 6.278 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -3.342 1.432 8.432 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -2.114 2.156 7.413 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -3.933 4.071 7.068 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -4.622 3.421 8.543 1.00 0.00 H new ATOM 835 N CYS 1 57 -3.212 0.965 4.133 1.00 0.00 N ATOM 836 CA CYS 1 57 -2.497 1.107 2.875 1.00 0.00 C ATOM 837 C CYS 1 57 -3.501 1.525 1.798 1.00 0.00 C ATOM 838 O CYS 1 57 -3.293 2.520 1.104 1.00 0.00 O ATOM 839 CB CYS 1 57 -1.757 -0.177 2.496 1.00 0.00 C ATOM 840 SG CYS 1 57 -0.327 0.063 1.380 1.00 0.00 S ATOM 0 H CYS 1 57 -3.791 0.128 4.203 1.00 0.00 H new ATOM 0 HA CYS 1 57 -1.729 1.875 2.975 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -1.411 -0.663 3.408 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -2.462 -0.859 2.020 1.00 0.00 H new ATOM 845 N THR 1 58 -4.567 0.746 1.693 1.00 0.00 N ATOM 846 CA THR 1 58 -5.603 1.024 0.713 1.00 0.00 C ATOM 847 C THR 1 58 -6.576 2.077 1.247 1.00 0.00 C ATOM 848 O THR 1 58 -7.104 2.883 0.484 1.00 0.00 O ATOM 849 CB THR 1 58 -6.280 -0.301 0.353 1.00 0.00 C ATOM 850 OG1 THR 1 58 -6.822 -0.072 -0.945 1.00 0.00 O ATOM 851 CG2 THR 1 58 -7.506 -0.587 1.223 1.00 0.00 C ATOM 0 H THR 1 58 -4.736 -0.078 2.270 1.00 0.00 H new ATOM 0 HA THR 1 58 -5.181 1.450 -0.198 1.00 0.00 H new ATOM 0 HB THR 1 58 -5.563 -1.115 0.457 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -7.794 -0.193 -0.920 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -7.949 -1.538 0.927 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -7.206 -0.637 2.270 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -8.238 0.210 1.093 1.00 0.00 H new ATOM 859 N PHE 1 59 -6.782 2.037 2.555 1.00 0.00 N ATOM 860 CA PHE 1 59 -7.681 2.978 3.201 1.00 0.00 C ATOM 861 C PHE 1 59 -7.633 4.342 2.511 1.00 0.00 C ATOM 862 O PHE 1 59 -6.598 4.737 1.978 1.00 0.00 O ATOM 863 CB PHE 1 59 -7.202 3.134 4.646 1.00 0.00 C ATOM 864 CG PHE 1 59 -8.055 4.089 5.483 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -9.374 3.826 5.683 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -7.494 5.200 6.030 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -10.166 4.711 6.461 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -8.285 6.087 6.808 1.00 0.00 C ATOM 869 CZ PHE 1 59 -9.605 5.823 7.007 1.00 0.00 C ATOM 0 H PHE 1 59 -6.341 1.367 3.185 1.00 0.00 H new ATOM 0 HA PHE 1 59 -8.706 2.610 3.149 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -7.196 2.154 5.124 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -6.173 3.492 4.640 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -9.820 2.943 5.250 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -6.446 5.408 5.873 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -11.214 4.501 6.619 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -7.839 6.970 7.241 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -10.207 6.497 7.599 1.00 0.00 H new TER 879 PHE 1 59 ATOM 880 N GLU 2 1 -18.943 6.108 3.751 1.00 0.00 N ATOM 881 CA GLU 2 1 -18.538 6.093 2.356 1.00 0.00 C ATOM 882 C GLU 2 1 -18.453 4.654 1.843 1.00 0.00 C ATOM 883 O GLU 2 1 -18.065 3.750 2.580 1.00 0.00 O ATOM 884 CB GLU 2 1 -17.207 6.823 2.163 1.00 0.00 C ATOM 885 CG GLU 2 1 -17.399 8.339 2.224 1.00 0.00 C ATOM 886 CD GLU 2 1 -16.596 9.037 1.124 1.00 0.00 C ATOM 887 OE1 GLU 2 1 -15.391 8.724 1.015 1.00 0.00 O ATOM 888 OE2 GLU 2 1 -17.205 9.870 0.418 1.00 0.00 O ATOM 0 H1 GLU 2 1 -19.937 6.406 3.821 1.00 0.00 H new ATOM 0 H2 GLU 2 1 -18.838 5.155 4.153 1.00 0.00 H new ATOM 0 H3 GLU 2 1 -18.344 6.775 4.279 1.00 0.00 H new ATOM 0 HA GLU 2 1 -19.293 6.622 1.774 1.00 0.00 H new ATOM 0 HB2 GLU 2 1 -16.502 6.511 2.934 1.00 0.00 H new ATOM 0 HB3 GLU 2 1 -16.772 6.546 1.202 1.00 0.00 H new ATOM 0 HG2 GLU 2 1 -18.457 8.580 2.116 1.00 0.00 H new ATOM 0 HG3 GLU 2 1 -17.085 8.710 3.200 1.00 0.00 H new ATOM 895 N GLU 2 2 -18.824 4.487 0.582 1.00 0.00 N ATOM 896 CA GLU 2 2 -18.794 3.173 -0.038 1.00 0.00 C ATOM 897 C GLU 2 2 -17.422 2.911 -0.662 1.00 0.00 C ATOM 898 O GLU 2 2 -16.398 3.045 0.006 1.00 0.00 O ATOM 899 CB GLU 2 2 -19.906 3.034 -1.081 1.00 0.00 C ATOM 900 CG GLU 2 2 -21.274 3.345 -0.470 1.00 0.00 C ATOM 901 CD GLU 2 2 -21.833 2.129 0.271 1.00 0.00 C ATOM 902 OE1 GLU 2 2 -21.918 1.062 -0.374 1.00 0.00 O ATOM 903 OE2 GLU 2 2 -22.162 2.294 1.465 1.00 0.00 O ATOM 0 H GLU 2 2 -19.147 5.239 -0.027 1.00 0.00 H new ATOM 0 HA GLU 2 2 -18.969 2.424 0.735 1.00 0.00 H new ATOM 0 HB2 GLU 2 2 -19.714 3.710 -1.914 1.00 0.00 H new ATOM 0 HB3 GLU 2 2 -19.906 2.022 -1.485 1.00 0.00 H new ATOM 0 HG2 GLU 2 2 -21.186 4.186 0.218 1.00 0.00 H new ATOM 0 HG3 GLU 2 2 -21.967 3.647 -1.255 1.00 0.00 H new ATOM 910 N TYR 2 3 -17.447 2.542 -1.934 1.00 0.00 N ATOM 911 CA TYR 2 3 -16.217 2.258 -2.654 1.00 0.00 C ATOM 912 C TYR 2 3 -15.678 3.519 -3.335 1.00 0.00 C ATOM 913 O TYR 2 3 -15.825 3.686 -4.546 1.00 0.00 O ATOM 914 CB TYR 2 3 -16.583 1.231 -3.727 1.00 0.00 C ATOM 915 CG TYR 2 3 -17.952 1.464 -4.370 1.00 0.00 C ATOM 916 CD1 TYR 2 3 -18.061 2.262 -5.490 1.00 0.00 C ATOM 917 CD2 TYR 2 3 -19.077 0.874 -3.830 1.00 0.00 C ATOM 918 CE1 TYR 2 3 -19.349 2.482 -6.095 1.00 0.00 C ATOM 919 CE2 TYR 2 3 -20.365 1.094 -4.436 1.00 0.00 C ATOM 920 CZ TYR 2 3 -20.437 1.886 -5.538 1.00 0.00 C ATOM 921 OH TYR 2 3 -21.654 2.093 -6.110 1.00 0.00 O ATOM 0 H TYR 2 3 -18.299 2.433 -2.484 1.00 0.00 H new ATOM 0 HA TYR 2 3 -15.448 1.894 -1.972 1.00 0.00 H new ATOM 0 HB2 TYR 2 3 -15.820 1.246 -4.505 1.00 0.00 H new ATOM 0 HB3 TYR 2 3 -16.566 0.235 -3.283 1.00 0.00 H new ATOM 0 HD1 TYR 2 3 -17.180 2.722 -5.913 1.00 0.00 H new ATOM 0 HD2 TYR 2 3 -18.992 0.248 -2.954 1.00 0.00 H new ATOM 0 HE1 TYR 2 3 -19.449 3.106 -6.971 1.00 0.00 H new ATOM 0 HE2 TYR 2 3 -21.254 0.640 -4.024 1.00 0.00 H new ATOM 0 HH TYR 2 3 -22.339 1.605 -5.607 1.00 0.00 H new ATOM 931 N VAL 2 4 -15.066 4.373 -2.528 1.00 0.00 N ATOM 932 CA VAL 2 4 -14.506 5.613 -3.038 1.00 0.00 C ATOM 933 C VAL 2 4 -13.079 5.777 -2.510 1.00 0.00 C ATOM 934 O VAL 2 4 -12.136 5.909 -3.289 1.00 0.00 O ATOM 935 CB VAL 2 4 -15.416 6.788 -2.674 1.00 0.00 C ATOM 936 CG1 VAL 2 4 -16.730 6.724 -3.455 1.00 0.00 C ATOM 937 CG2 VAL 2 4 -15.676 6.834 -1.167 1.00 0.00 C ATOM 0 H VAL 2 4 -14.946 4.231 -1.525 1.00 0.00 H new ATOM 0 HA VAL 2 4 -14.450 5.588 -4.126 1.00 0.00 H new ATOM 0 HB VAL 2 4 -14.904 7.709 -2.953 1.00 0.00 H new ATOM 0 HG11 VAL 2 4 -17.359 7.570 -3.178 1.00 0.00 H new ATOM 0 HG12 VAL 2 4 -16.520 6.762 -4.524 1.00 0.00 H new ATOM 0 HG13 VAL 2 4 -17.248 5.794 -3.220 1.00 0.00 H new ATOM 0 HG21 VAL 2 4 -16.325 7.678 -0.935 1.00 0.00 H new ATOM 0 HG22 VAL 2 4 -16.158 5.908 -0.853 1.00 0.00 H new ATOM 0 HG23 VAL 2 4 -14.730 6.948 -0.638 1.00 0.00 H new ATOM 947 N GLY 2 5 -12.965 5.763 -1.191 1.00 0.00 N ATOM 948 CA GLY 2 5 -11.669 5.908 -0.550 1.00 0.00 C ATOM 949 C GLY 2 5 -10.798 4.673 -0.786 1.00 0.00 C ATOM 950 O GLY 2 5 -9.703 4.566 -0.237 1.00 0.00 O ATOM 0 H GLY 2 5 -13.749 5.653 -0.548 1.00 0.00 H new ATOM 0 HA2 GLY 2 5 -11.164 6.793 -0.939 1.00 0.00 H new ATOM 0 HA3 GLY 2 5 -11.804 6.063 0.520 1.00 0.00 H new ATOM 954 N LEU 2 6 -11.318 3.770 -1.605 1.00 0.00 N ATOM 955 CA LEU 2 6 -10.601 2.546 -1.923 1.00 0.00 C ATOM 956 C LEU 2 6 -11.056 2.034 -3.290 1.00 0.00 C ATOM 957 O LEU 2 6 -10.902 0.852 -3.597 1.00 0.00 O ATOM 958 CB LEU 2 6 -10.766 1.524 -0.797 1.00 0.00 C ATOM 959 CG LEU 2 6 -12.138 1.480 -0.124 1.00 0.00 C ATOM 960 CD1 LEU 2 6 -12.363 2.719 0.746 1.00 0.00 C ATOM 961 CD2 LEU 2 6 -13.250 1.298 -1.159 1.00 0.00 C ATOM 0 H LEU 2 6 -12.227 3.861 -2.058 1.00 0.00 H new ATOM 0 HA LEU 2 6 -9.530 2.738 -1.995 1.00 0.00 H new ATOM 0 HB2 LEU 2 6 -10.549 0.534 -1.198 1.00 0.00 H new ATOM 0 HB3 LEU 2 6 -10.016 1.731 -0.034 1.00 0.00 H new ATOM 0 HG LEU 2 6 -12.166 0.613 0.537 1.00 0.00 H new ATOM 0 HD11 LEU 2 6 -13.346 2.662 1.213 1.00 0.00 H new ATOM 0 HD12 LEU 2 6 -11.596 2.765 1.519 1.00 0.00 H new ATOM 0 HD13 LEU 2 6 -12.307 3.614 0.126 1.00 0.00 H new ATOM 0 HD21 LEU 2 6 -14.216 1.270 -0.654 1.00 0.00 H new ATOM 0 HD22 LEU 2 6 -13.232 2.131 -1.862 1.00 0.00 H new ATOM 0 HD23 LEU 2 6 -13.095 0.364 -1.699 1.00 0.00 H new ATOM 973 N SER 2 7 -11.609 2.947 -4.075 1.00 0.00 N ATOM 974 CA SER 2 7 -12.087 2.602 -5.404 1.00 0.00 C ATOM 975 C SER 2 7 -11.168 3.209 -6.465 1.00 0.00 C ATOM 976 O SER 2 7 -10.575 4.265 -6.247 1.00 0.00 O ATOM 977 CB SER 2 7 -13.526 3.078 -5.611 1.00 0.00 C ATOM 978 OG SER 2 7 -13.833 3.262 -6.991 1.00 0.00 O ATOM 0 H SER 2 7 -11.737 3.925 -3.817 1.00 0.00 H new ATOM 0 HA SER 2 7 -12.074 1.516 -5.502 1.00 0.00 H new ATOM 0 HB2 SER 2 7 -14.214 2.351 -5.180 1.00 0.00 H new ATOM 0 HB3 SER 2 7 -13.678 4.016 -5.077 1.00 0.00 H new ATOM 0 HG SER 2 7 -14.767 3.543 -7.084 1.00 0.00 H new ATOM 984 N ALA 2 8 -11.079 2.517 -7.591 1.00 0.00 N ATOM 985 CA ALA 2 8 -10.242 2.975 -8.687 1.00 0.00 C ATOM 986 C ALA 2 8 -10.736 4.342 -9.162 1.00 0.00 C ATOM 987 O ALA 2 8 -11.536 4.429 -10.092 1.00 0.00 O ATOM 988 CB ALA 2 8 -10.249 1.931 -9.805 1.00 0.00 C ATOM 0 H ALA 2 8 -11.573 1.642 -7.768 1.00 0.00 H new ATOM 0 HA ALA 2 8 -9.209 3.094 -8.359 1.00 0.00 H new ATOM 0 HB1 ALA 2 8 -9.621 2.274 -10.627 1.00 0.00 H new ATOM 0 HB2 ALA 2 8 -9.862 0.986 -9.423 1.00 0.00 H new ATOM 0 HB3 ALA 2 8 -11.269 1.788 -10.162 1.00 0.00 H new ATOM 994 N ASN 2 9 -10.238 5.378 -8.503 1.00 0.00 N ATOM 995 CA ASN 2 9 -10.618 6.738 -8.846 1.00 0.00 C ATOM 996 C ASN 2 9 -10.128 7.691 -7.754 1.00 0.00 C ATOM 997 O ASN 2 9 -9.893 8.870 -8.014 1.00 0.00 O ATOM 998 CB ASN 2 9 -12.139 6.875 -8.946 1.00 0.00 C ATOM 999 CG ASN 2 9 -12.551 7.413 -10.318 1.00 0.00 C ATOM 1000 OD1 ASN 2 9 -13.201 6.746 -11.106 1.00 0.00 O ATOM 1001 ND2 ASN 2 9 -12.139 8.655 -10.558 1.00 0.00 N ATOM 0 H ASN 2 9 -9.574 5.303 -7.732 1.00 0.00 H new ATOM 0 HA ASN 2 9 -10.169 6.981 -9.809 1.00 0.00 H new ATOM 0 HB2 ASN 2 9 -12.607 5.906 -8.776 1.00 0.00 H new ATOM 0 HB3 ASN 2 9 -12.500 7.545 -8.165 1.00 0.00 H new ATOM 0 HD21 ASN 2 9 -12.364 9.105 -11.445 1.00 0.00 H new ATOM 0 HD22 ASN 2 9 -11.598 9.158 -9.855 1.00 0.00 H new ATOM 1008 N GLN 2 10 -9.991 7.145 -6.554 1.00 0.00 N ATOM 1009 CA GLN 2 10 -9.533 7.933 -5.422 1.00 0.00 C ATOM 1010 C GLN 2 10 -8.147 8.516 -5.707 1.00 0.00 C ATOM 1011 O GLN 2 10 -7.809 9.591 -5.212 1.00 0.00 O ATOM 1012 CB GLN 2 10 -9.523 7.096 -4.141 1.00 0.00 C ATOM 1013 CG GLN 2 10 -9.956 7.934 -2.936 1.00 0.00 C ATOM 1014 CD GLN 2 10 -9.084 7.629 -1.715 1.00 0.00 C ATOM 1015 OE1 GLN 2 10 -8.727 8.503 -0.942 1.00 0.00 O ATOM 1016 NE2 GLN 2 10 -8.763 6.345 -1.587 1.00 0.00 N ATOM 0 H GLN 2 10 -10.189 6.167 -6.341 1.00 0.00 H new ATOM 0 HA GLN 2 10 -10.229 8.759 -5.273 1.00 0.00 H new ATOM 0 HB2 GLN 2 10 -10.192 6.243 -4.254 1.00 0.00 H new ATOM 0 HB3 GLN 2 10 -8.523 6.697 -3.971 1.00 0.00 H new ATOM 0 HG2 GLN 2 10 -9.887 8.994 -3.181 1.00 0.00 H new ATOM 0 HG3 GLN 2 10 -11.001 7.729 -2.702 1.00 0.00 H new ATOM 0 HE21 GLN 2 10 -9.096 5.665 -2.271 1.00 0.00 H new ATOM 0 HE22 GLN 2 10 -8.184 6.040 -0.805 1.00 0.00 H new ATOM 1025 N CYS 2 11 -7.383 7.782 -6.501 1.00 0.00 N ATOM 1026 CA CYS 2 11 -6.042 8.213 -6.856 1.00 0.00 C ATOM 1027 C CYS 2 11 -6.153 9.498 -7.680 1.00 0.00 C ATOM 1028 O CYS 2 11 -5.148 10.154 -7.952 1.00 0.00 O ATOM 1029 CB CYS 2 11 -5.276 7.120 -7.605 1.00 0.00 C ATOM 1030 SG CYS 2 11 -4.359 5.955 -6.533 1.00 0.00 S ATOM 0 H CYS 2 11 -7.667 6.891 -6.909 1.00 0.00 H new ATOM 0 HA CYS 2 11 -5.469 8.411 -5.950 1.00 0.00 H new ATOM 0 HB2 CYS 2 11 -5.981 6.554 -8.214 1.00 0.00 H new ATOM 0 HB3 CYS 2 11 -4.572 7.593 -8.290 1.00 0.00 H new ATOM 1035 N ALA 2 12 -7.383 9.818 -8.054 1.00 0.00 N ATOM 1036 CA ALA 2 12 -7.638 11.013 -8.841 1.00 0.00 C ATOM 1037 C ALA 2 12 -8.529 11.965 -8.040 1.00 0.00 C ATOM 1038 O ALA 2 12 -9.146 12.866 -8.606 1.00 0.00 O ATOM 1039 CB ALA 2 12 -8.263 10.618 -10.181 1.00 0.00 C ATOM 0 H ALA 2 12 -8.214 9.271 -7.827 1.00 0.00 H new ATOM 0 HA ALA 2 12 -6.707 11.536 -9.057 1.00 0.00 H new ATOM 0 HB1 ALA 2 12 -8.454 11.514 -10.771 1.00 0.00 H new ATOM 0 HB2 ALA 2 12 -7.579 9.965 -10.723 1.00 0.00 H new ATOM 0 HB3 ALA 2 12 -9.202 10.093 -10.004 1.00 0.00 H new ATOM 1045 N VAL 2 13 -8.567 11.733 -6.737 1.00 0.00 N ATOM 1046 CA VAL 2 13 -9.373 12.558 -5.853 1.00 0.00 C ATOM 1047 C VAL 2 13 -9.174 14.031 -6.216 1.00 0.00 C ATOM 1048 O VAL 2 13 -8.262 14.371 -6.968 1.00 0.00 O ATOM 1049 CB VAL 2 13 -9.031 12.251 -4.394 1.00 0.00 C ATOM 1050 CG1 VAL 2 13 -8.232 13.395 -3.766 1.00 0.00 C ATOM 1051 CG2 VAL 2 13 -10.295 11.956 -3.584 1.00 0.00 C ATOM 0 H VAL 2 13 -8.053 10.985 -6.271 1.00 0.00 H new ATOM 0 HA VAL 2 13 -10.432 12.332 -5.979 1.00 0.00 H new ATOM 0 HB VAL 2 13 -8.407 11.357 -4.377 1.00 0.00 H new ATOM 0 HG11 VAL 2 13 -8.002 13.152 -2.729 1.00 0.00 H new ATOM 0 HG12 VAL 2 13 -7.304 13.538 -4.320 1.00 0.00 H new ATOM 0 HG13 VAL 2 13 -8.820 14.312 -3.801 1.00 0.00 H new ATOM 0 HG21 VAL 2 13 -10.023 11.741 -2.551 1.00 0.00 H new ATOM 0 HG22 VAL 2 13 -10.956 12.822 -3.613 1.00 0.00 H new ATOM 0 HG23 VAL 2 13 -10.808 11.094 -4.011 1.00 0.00 H new ATOM 1061 N PRO 2 14 -10.068 14.887 -5.652 1.00 0.00 N ATOM 1062 CA PRO 2 14 -9.999 16.316 -5.908 1.00 0.00 C ATOM 1063 C PRO 2 14 -8.844 16.957 -5.137 1.00 0.00 C ATOM 1064 O PRO 2 14 -8.895 18.142 -4.808 1.00 0.00 O ATOM 1065 CB PRO 2 14 -11.360 16.855 -5.498 1.00 0.00 C ATOM 1066 CG PRO 2 14 -11.973 15.795 -4.597 1.00 0.00 C ATOM 1067 CD PRO 2 14 -11.162 14.520 -4.757 1.00 0.00 C ATOM 0 HA PRO 2 14 -9.793 16.547 -6.953 1.00 0.00 H new ATOM 0 HB2 PRO 2 14 -11.262 17.805 -4.973 1.00 0.00 H new ATOM 0 HB3 PRO 2 14 -11.987 17.036 -6.371 1.00 0.00 H new ATOM 0 HG2 PRO 2 14 -11.964 16.125 -3.558 1.00 0.00 H new ATOM 0 HG3 PRO 2 14 -13.015 15.621 -4.867 1.00 0.00 H new ATOM 0 HD2 PRO 2 14 -10.787 14.166 -3.797 1.00 0.00 H new ATOM 0 HD3 PRO 2 14 -11.766 13.717 -5.179 1.00 0.00 H new ATOM 1075 N ALA 2 15 -7.830 16.147 -4.872 1.00 0.00 N ATOM 1076 CA ALA 2 15 -6.664 16.620 -4.146 1.00 0.00 C ATOM 1077 C ALA 2 15 -7.120 17.444 -2.940 1.00 0.00 C ATOM 1078 O ALA 2 15 -6.840 18.639 -2.860 1.00 0.00 O ATOM 1079 CB ALA 2 15 -5.763 17.419 -5.091 1.00 0.00 C ATOM 0 H ALA 2 15 -7.792 15.166 -5.147 1.00 0.00 H new ATOM 0 HA ALA 2 15 -6.079 15.781 -3.770 1.00 0.00 H new ATOM 0 HB1 ALA 2 15 -4.888 17.774 -4.546 1.00 0.00 H new ATOM 0 HB2 ALA 2 15 -5.443 16.781 -5.915 1.00 0.00 H new ATOM 0 HB3 ALA 2 15 -6.315 18.272 -5.486 1.00 0.00 H new ATOM 1085 N LYS 2 16 -7.813 16.773 -2.033 1.00 0.00 N ATOM 1086 CA LYS 2 16 -8.310 17.427 -0.835 1.00 0.00 C ATOM 1087 C LYS 2 16 -9.141 16.432 -0.022 1.00 0.00 C ATOM 1088 O LYS 2 16 -10.147 16.805 0.581 1.00 0.00 O ATOM 1089 CB LYS 2 16 -9.066 18.707 -1.198 1.00 0.00 C ATOM 1090 CG LYS 2 16 -10.034 18.462 -2.358 1.00 0.00 C ATOM 1091 CD LYS 2 16 -11.487 18.601 -1.897 1.00 0.00 C ATOM 1092 CE LYS 2 16 -11.974 20.043 -2.048 1.00 0.00 C ATOM 1093 NZ LYS 2 16 -13.329 20.073 -2.641 1.00 0.00 N ATOM 0 H LYS 2 16 -8.042 15.782 -2.104 1.00 0.00 H new ATOM 0 HA LYS 2 16 -7.481 17.742 -0.202 1.00 0.00 H new ATOM 0 HB2 LYS 2 16 -9.617 19.067 -0.329 1.00 0.00 H new ATOM 0 HB3 LYS 2 16 -8.356 19.488 -1.471 1.00 0.00 H new ATOM 0 HG2 LYS 2 16 -9.833 19.172 -3.160 1.00 0.00 H new ATOM 0 HG3 LYS 2 16 -9.872 17.465 -2.767 1.00 0.00 H new ATOM 0 HD2 LYS 2 16 -12.123 17.936 -2.481 1.00 0.00 H new ATOM 0 HD3 LYS 2 16 -11.573 18.291 -0.855 1.00 0.00 H new ATOM 0 HE2 LYS 2 16 -11.986 20.533 -1.074 1.00 0.00 H new ATOM 0 HE3 LYS 2 16 -11.282 20.603 -2.678 1.00 0.00 H new ATOM 0 HZ1 LYS 2 16 -13.644 21.059 -2.737 1.00 0.00 H new ATOM 0 HZ2 LYS 2 16 -13.308 19.624 -3.579 1.00 0.00 H new ATOM 0 HZ3 LYS 2 16 -13.989 19.557 -2.025 1.00 0.00 H new ATOM 1107 N ASP 2 17 -8.689 15.187 -0.032 1.00 0.00 N ATOM 1108 CA ASP 2 17 -9.378 14.136 0.697 1.00 0.00 C ATOM 1109 C ASP 2 17 -8.423 12.961 0.915 1.00 0.00 C ATOM 1110 O ASP 2 17 -8.855 11.858 1.247 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.587 13.622 -0.088 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.624 12.864 0.744 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -11.437 12.819 1.979 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -12.579 12.348 0.125 1.00 0.00 O ATOM 0 H ASP 2 17 -7.854 14.882 -0.533 1.00 0.00 H new ATOM 0 HA ASP 2 17 -9.714 14.551 1.647 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -11.077 14.470 -0.567 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -10.233 12.967 -0.884 1.00 0.00 H new ATOM 1119 N ARG 2 18 -7.142 13.238 0.719 1.00 0.00 N ATOM 1120 CA ARG 2 18 -6.122 12.217 0.889 1.00 0.00 C ATOM 1121 C ARG 2 18 -5.632 12.193 2.339 1.00 0.00 C ATOM 1122 O ARG 2 18 -6.100 12.971 3.168 1.00 0.00 O ATOM 1123 CB ARG 2 18 -4.932 12.468 -0.040 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.398 12.682 -1.481 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.534 13.731 -2.186 1.00 0.00 C ATOM 1126 NE ARG 2 18 -4.810 13.720 -3.639 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.043 14.328 -4.554 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -2.949 15.000 -4.172 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.371 14.265 -5.853 1.00 0.00 N ATOM 0 H ARG 2 18 -6.787 14.154 0.444 1.00 0.00 H new ATOM 0 HA ARG 2 18 -6.569 11.255 0.637 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.378 13.343 0.301 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.248 11.621 0.003 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.350 11.740 -2.026 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.440 13.001 -1.487 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -4.740 14.720 -1.776 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.479 13.525 -2.006 1.00 0.00 H new ATOM 0 HE ARG 2 18 -5.636 13.218 -3.965 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.700 15.049 -3.184 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.365 15.463 -4.869 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.204 13.754 -6.144 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -3.787 14.728 -6.549 1.00 0.00 H new ATOM 1143 N VAL 2 19 -4.696 11.292 2.599 1.00 0.00 N ATOM 1144 CA VAL 2 19 -4.139 11.156 3.933 1.00 0.00 C ATOM 1145 C VAL 2 19 -2.676 11.604 3.918 1.00 0.00 C ATOM 1146 O VAL 2 19 -1.905 11.250 4.809 1.00 0.00 O ATOM 1147 CB VAL 2 19 -4.319 9.721 4.433 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -4.094 9.634 5.944 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -5.697 9.177 4.052 1.00 0.00 C ATOM 0 H VAL 2 19 -4.310 10.649 1.908 1.00 0.00 H new ATOM 0 HA VAL 2 19 -4.670 11.799 4.635 1.00 0.00 H new ATOM 0 HB VAL 2 19 -3.567 9.100 3.946 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -4.228 8.604 6.273 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -3.082 9.962 6.181 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -4.812 10.275 6.456 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -5.799 8.156 4.419 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -6.471 9.802 4.498 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -5.804 9.185 2.967 1.00 0.00 H new ATOM 1159 N ASP 2 20 -2.337 12.377 2.896 1.00 0.00 N ATOM 1160 CA ASP 2 20 -0.981 12.877 2.752 1.00 0.00 C ATOM 1161 C ASP 2 20 0.002 11.836 3.291 1.00 0.00 C ATOM 1162 O ASP 2 20 0.334 11.845 4.475 1.00 0.00 O ATOM 1163 CB ASP 2 20 -0.784 14.169 3.549 1.00 0.00 C ATOM 1164 CG ASP 2 20 0.650 14.429 4.015 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 1.537 14.452 3.135 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 0.826 14.598 5.241 1.00 0.00 O ATOM 0 H ASP 2 20 -2.979 12.669 2.159 1.00 0.00 H new ATOM 0 HA ASP 2 20 -0.804 13.074 1.695 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -1.109 15.010 2.936 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -1.435 14.142 4.423 1.00 0.00 H new ATOM 1171 N CYS 2 21 0.439 10.962 2.396 1.00 0.00 N ATOM 1172 CA CYS 2 21 1.377 9.916 2.766 1.00 0.00 C ATOM 1173 C CYS 2 21 2.587 10.572 3.436 1.00 0.00 C ATOM 1174 O CYS 2 21 3.191 9.991 4.337 1.00 0.00 O ATOM 1175 CB CYS 2 21 1.783 9.068 1.559 1.00 0.00 C ATOM 1176 SG CYS 2 21 2.006 7.286 1.914 1.00 0.00 S ATOM 0 H CYS 2 21 0.160 10.957 1.415 1.00 0.00 H new ATOM 0 HA CYS 2 21 0.903 9.229 3.467 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 1.025 9.178 0.784 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.714 9.462 1.152 1.00 0.00 H new ATOM 1181 N GLY 2 22 2.904 11.770 2.970 1.00 0.00 N ATOM 1182 CA GLY 2 22 4.030 12.510 3.514 1.00 0.00 C ATOM 1183 C GLY 2 22 5.316 11.684 3.439 1.00 0.00 C ATOM 1184 O GLY 2 22 6.024 11.540 4.433 1.00 0.00 O ATOM 0 H GLY 2 22 2.401 12.247 2.222 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 4.159 13.441 2.962 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 3.826 12.779 4.550 1.00 0.00 H new ATOM 1188 N TYR 2 23 5.578 11.163 2.249 1.00 0.00 N ATOM 1189 CA TYR 2 23 6.766 10.355 2.031 1.00 0.00 C ATOM 1190 C TYR 2 23 7.982 11.237 1.739 1.00 0.00 C ATOM 1191 O TYR 2 23 7.882 12.214 1.000 1.00 0.00 O ATOM 1192 CB TYR 2 23 6.470 9.493 0.802 1.00 0.00 C ATOM 1193 CG TYR 2 23 6.935 8.042 0.933 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 6.744 7.361 2.118 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 7.548 7.415 -0.133 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 7.182 5.994 2.241 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 7.986 6.049 -0.010 1.00 0.00 C ATOM 1198 CZ TYR 2 23 7.782 5.406 1.171 1.00 0.00 C ATOM 1199 OH TYR 2 23 8.196 4.116 1.288 1.00 0.00 O ATOM 0 H TYR 2 23 4.988 11.285 1.426 1.00 0.00 H new ATOM 0 HA TYR 2 23 6.993 9.759 2.915 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.397 9.504 0.613 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 6.951 9.941 -0.068 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 6.266 7.853 2.953 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 7.699 7.949 -1.059 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 7.037 5.448 3.162 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 8.466 5.546 -0.837 1.00 0.00 H new ATOM 0 HH TYR 2 23 7.783 3.710 2.079 1.00 0.00 H new ATOM 1209 N PRO 2 24 9.134 10.849 2.352 1.00 0.00 N ATOM 1210 CA PRO 2 24 10.367 11.593 2.166 1.00 0.00 C ATOM 1211 C PRO 2 24 10.969 11.320 0.787 1.00 0.00 C ATOM 1212 O PRO 2 24 11.944 11.958 0.393 1.00 0.00 O ATOM 1213 CB PRO 2 24 11.270 11.149 3.306 1.00 0.00 C ATOM 1214 CG PRO 2 24 10.687 9.840 3.813 1.00 0.00 C ATOM 1215 CD PRO 2 24 9.289 9.696 3.235 1.00 0.00 C ATOM 0 HA PRO 2 24 10.215 12.672 2.192 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 12.295 11.013 2.962 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 11.296 11.898 4.098 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 11.313 9.001 3.510 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 10.652 9.835 4.902 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 9.181 8.760 2.687 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 8.534 9.694 4.021 1.00 0.00 H new ATOM 1223 N HIS 2 25 10.363 10.370 0.089 1.00 0.00 N ATOM 1224 CA HIS 2 25 10.827 10.005 -1.238 1.00 0.00 C ATOM 1225 C HIS 2 25 9.697 10.202 -2.250 1.00 0.00 C ATOM 1226 O HIS 2 25 9.732 9.642 -3.344 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.386 8.581 -1.246 1.00 0.00 C ATOM 1228 CG HIS 2 25 12.749 8.460 -1.886 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 13.625 7.428 -1.595 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 13.375 9.249 -2.806 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 14.726 7.601 -2.311 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 14.570 8.730 -3.061 1.00 0.00 N ATOM 0 H HIS 2 25 9.555 9.842 0.418 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.649 10.658 -1.531 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 11.444 8.219 -0.220 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 10.689 7.931 -1.774 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 12.967 10.144 -3.252 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 15.595 6.960 -2.303 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 15.258 9.112 -3.710 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.720 11.002 -1.848 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.580 11.281 -2.705 1.00 0.00 C ATOM 1243 C VAL 2 26 8.057 11.416 -4.153 1.00 0.00 C ATOM 1244 O VAL 2 26 8.855 12.298 -4.467 1.00 0.00 O ATOM 1245 CB VAL 2 26 6.837 12.520 -2.203 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.820 13.617 -1.785 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 5.854 13.036 -3.256 1.00 0.00 C ATOM 0 H VAL 2 26 8.694 11.466 -0.940 1.00 0.00 H new ATOM 0 HA VAL 2 26 6.868 10.457 -2.672 1.00 0.00 H new ATOM 0 HB VAL 2 26 6.262 12.232 -1.323 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 7.266 14.487 -1.432 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.461 13.246 -0.985 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.434 13.900 -2.640 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.340 13.917 -2.873 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.398 13.299 -4.163 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 5.123 12.260 -3.483 1.00 0.00 H new ATOM 1257 N THR 2 27 7.549 10.530 -4.996 1.00 0.00 N ATOM 1258 CA THR 2 27 7.914 10.538 -6.402 1.00 0.00 C ATOM 1259 C THR 2 27 6.962 9.650 -7.206 1.00 0.00 C ATOM 1260 O THR 2 27 6.413 8.685 -6.676 1.00 0.00 O ATOM 1261 CB THR 2 27 9.380 10.116 -6.513 1.00 0.00 C ATOM 1262 OG1 THR 2 27 10.038 11.277 -7.017 1.00 0.00 O ATOM 1263 CG2 THR 2 27 9.604 9.060 -7.597 1.00 0.00 C ATOM 0 H THR 2 27 6.887 9.801 -4.732 1.00 0.00 H new ATOM 0 HA THR 2 27 7.816 11.536 -6.830 1.00 0.00 H new ATOM 0 HB THR 2 27 9.720 9.728 -5.553 1.00 0.00 H new ATOM 0 HG1 THR 2 27 9.904 12.024 -6.397 1.00 0.00 H new ATOM 0 HG21 THR 2 27 10.661 8.795 -7.634 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.015 8.172 -7.367 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.296 9.459 -8.563 1.00 0.00 H new ATOM 1271 N PRO 2 28 6.794 10.016 -8.504 1.00 0.00 N ATOM 1272 CA PRO 2 28 5.918 9.262 -9.386 1.00 0.00 C ATOM 1273 C PRO 2 28 6.569 7.943 -9.807 1.00 0.00 C ATOM 1274 O PRO 2 28 6.615 7.619 -10.993 1.00 0.00 O ATOM 1275 CB PRO 2 28 5.647 10.191 -10.559 1.00 0.00 C ATOM 1276 CG PRO 2 28 6.743 11.243 -10.520 1.00 0.00 C ATOM 1277 CD PRO 2 28 7.428 11.152 -9.166 1.00 0.00 C ATOM 0 HA PRO 2 28 4.986 8.969 -8.903 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 5.664 9.644 -11.502 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 4.662 10.650 -10.474 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 7.461 11.076 -11.323 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 6.323 12.238 -10.669 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 8.501 10.998 -9.275 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 7.294 12.069 -8.592 1.00 0.00 H new ATOM 1285 N LYS 2 29 7.054 7.216 -8.811 1.00 0.00 N ATOM 1286 CA LYS 2 29 7.699 5.938 -9.063 1.00 0.00 C ATOM 1287 C LYS 2 29 8.040 5.271 -7.729 1.00 0.00 C ATOM 1288 O LYS 2 29 8.183 4.052 -7.658 1.00 0.00 O ATOM 1289 CB LYS 2 29 8.908 6.120 -9.985 1.00 0.00 C ATOM 1290 CG LYS 2 29 9.535 4.771 -10.339 1.00 0.00 C ATOM 1291 CD LYS 2 29 9.787 4.661 -11.845 1.00 0.00 C ATOM 1292 CE LYS 2 29 10.086 3.216 -12.246 1.00 0.00 C ATOM 1293 NZ LYS 2 29 9.865 3.024 -13.697 1.00 0.00 N ATOM 0 H LYS 2 29 7.013 7.487 -7.829 1.00 0.00 H new ATOM 0 HA LYS 2 29 7.021 5.268 -9.591 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 8.601 6.633 -10.897 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 9.650 6.753 -9.498 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 10.475 4.650 -9.800 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 8.876 3.964 -10.017 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 8.915 5.021 -12.391 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 10.624 5.301 -12.125 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 11.117 2.968 -11.993 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 9.447 2.536 -11.682 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 10.073 2.037 -13.952 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 8.875 3.241 -13.929 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 10.492 3.659 -14.231 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.158 6.102 -6.702 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.478 5.607 -5.374 1.00 0.00 C ATOM 1309 C GLU 2 30 7.202 5.433 -4.550 1.00 0.00 C ATOM 1310 O GLU 2 30 7.038 4.432 -3.855 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.465 6.539 -4.666 1.00 0.00 C ATOM 1312 CG GLU 2 30 10.833 5.871 -4.508 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.683 6.058 -5.766 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 12.158 7.196 -5.965 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 11.838 5.058 -6.500 1.00 0.00 O ATOM 0 H GLU 2 30 8.038 7.113 -6.763 1.00 0.00 H new ATOM 0 HA GLU 2 30 8.956 4.633 -5.476 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.571 7.463 -5.235 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.074 6.812 -3.686 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.352 6.295 -3.648 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 10.702 4.808 -4.308 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.327 6.424 -4.655 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.070 6.393 -3.929 1.00 0.00 C ATOM 1324 C CYS 2 31 4.267 5.182 -4.409 1.00 0.00 C ATOM 1325 O CYS 2 31 3.877 4.334 -3.609 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.288 7.697 -4.095 1.00 0.00 C ATOM 1327 SG CYS 2 31 4.930 9.107 -3.120 1.00 0.00 S ATOM 0 H CYS 2 31 6.465 7.253 -5.233 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.267 6.297 -2.861 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.288 7.973 -5.150 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.250 7.520 -3.812 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.045 5.139 -5.715 1.00 0.00 N ATOM 1333 CA ASN 2 32 3.296 4.046 -6.311 1.00 0.00 C ATOM 1334 C ASN 2 32 4.073 2.741 -6.125 1.00 0.00 C ATOM 1335 O ASN 2 32 3.580 1.667 -6.469 1.00 0.00 O ATOM 1336 CB ASN 2 32 3.097 4.269 -7.812 1.00 0.00 C ATOM 1337 CG ASN 2 32 1.777 4.990 -8.089 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 0.898 4.489 -8.771 1.00 0.00 O ATOM 1339 ND2 ASN 2 32 1.686 6.190 -7.523 1.00 0.00 N ATOM 0 H ASN 2 32 4.371 5.844 -6.377 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.323 3.997 -5.822 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 3.926 4.855 -8.209 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 3.107 3.310 -8.330 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 0.843 6.750 -7.648 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 2.459 6.550 -6.964 1.00 0.00 H new ATOM 1346 N ASN 2 33 5.274 2.876 -5.583 1.00 0.00 N ATOM 1347 CA ASN 2 33 6.124 1.721 -5.349 1.00 0.00 C ATOM 1348 C ASN 2 33 6.087 1.360 -3.862 1.00 0.00 C ATOM 1349 O ASN 2 33 6.247 0.196 -3.497 1.00 0.00 O ATOM 1350 CB ASN 2 33 7.575 2.019 -5.727 1.00 0.00 C ATOM 1351 CG ASN 2 33 8.504 0.893 -5.267 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 8.262 -0.280 -5.498 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 9.578 1.315 -4.605 1.00 0.00 N ATOM 0 H ASN 2 33 5.679 3.768 -5.299 1.00 0.00 H new ATOM 0 HA ASN 2 33 5.754 0.900 -5.962 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 7.655 2.143 -6.807 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 7.887 2.960 -5.274 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 10.260 0.641 -4.256 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 9.720 2.313 -4.446 1.00 0.00 H new ATOM 1360 N ARG 2 34 5.875 2.381 -3.044 1.00 0.00 N ATOM 1361 CA ARG 2 34 5.815 2.186 -1.605 1.00 0.00 C ATOM 1362 C ARG 2 34 4.390 1.831 -1.175 1.00 0.00 C ATOM 1363 O ARG 2 34 4.195 1.079 -0.222 1.00 0.00 O ATOM 1364 CB ARG 2 34 6.266 3.444 -0.860 1.00 0.00 C ATOM 1365 CG ARG 2 34 5.097 4.410 -0.658 1.00 0.00 C ATOM 1366 CD ARG 2 34 4.287 4.039 0.586 1.00 0.00 C ATOM 1367 NE ARG 2 34 4.494 5.051 1.645 1.00 0.00 N ATOM 1368 CZ ARG 2 34 4.094 4.902 2.915 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 3.463 3.782 3.291 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 4.325 5.874 3.809 1.00 0.00 N ATOM 0 H ARG 2 34 5.743 3.345 -3.350 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.488 1.367 -1.354 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 6.685 3.167 0.107 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 7.059 3.939 -1.421 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 5.475 5.428 -0.560 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 4.451 4.393 -1.536 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 3.228 3.975 0.335 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 4.589 3.056 0.947 1.00 0.00 H new ATOM 0 HE ARG 2 34 4.971 5.916 1.392 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 3.287 3.043 2.611 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 3.158 3.668 4.258 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 4.805 6.727 3.522 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 4.020 5.761 4.776 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.432 2.388 -1.901 1.00 0.00 N ATOM 1385 CA GLY 2 35 2.030 2.139 -1.608 1.00 0.00 C ATOM 1386 C GLY 2 35 1.244 3.450 -1.537 1.00 0.00 C ATOM 1387 O GLY 2 35 0.183 3.508 -0.918 1.00 0.00 O ATOM 0 H GLY 2 35 3.599 3.011 -2.691 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.603 1.496 -2.377 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 1.942 1.606 -0.661 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.796 4.469 -2.179 1.00 0.00 N ATOM 1392 CA CYS 2 36 1.159 5.775 -2.197 1.00 0.00 C ATOM 1393 C CYS 2 36 0.938 6.182 -3.656 1.00 0.00 C ATOM 1394 O CYS 2 36 1.564 5.630 -4.559 1.00 0.00 O ATOM 1395 CB CYS 2 36 1.981 6.815 -1.433 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.333 6.385 0.311 1.00 0.00 S ATOM 0 H CYS 2 36 2.677 4.417 -2.690 1.00 0.00 H new ATOM 0 HA CYS 2 36 0.198 5.721 -1.686 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 2.927 6.964 -1.954 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.450 7.767 -1.458 1.00 0.00 H new ATOM 1401 N CYS 2 37 0.046 7.144 -3.839 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.265 7.631 -5.172 1.00 0.00 C ATOM 1403 C CYS 2 37 0.300 9.046 -5.311 1.00 0.00 C ATOM 1404 O CYS 2 37 0.004 9.919 -4.497 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.768 7.588 -5.454 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.250 6.559 -6.887 1.00 0.00 S ATOM 0 H CYS 2 37 -0.471 7.599 -3.087 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.197 6.981 -5.915 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.279 7.213 -4.567 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.122 8.606 -5.620 1.00 0.00 H new ATOM 1411 N PHE 2 38 1.105 9.228 -6.347 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.715 10.522 -6.603 1.00 0.00 C ATOM 1413 C PHE 2 38 0.818 11.385 -7.493 1.00 0.00 C ATOM 1414 O PHE 2 38 0.498 11.000 -8.617 1.00 0.00 O ATOM 1415 CB PHE 2 38 3.035 10.259 -7.332 1.00 0.00 C ATOM 1416 CG PHE 2 38 3.977 11.463 -7.366 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.872 11.657 -6.361 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 3.920 12.342 -8.404 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.747 12.774 -6.394 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 4.795 13.459 -8.437 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.690 13.652 -7.431 1.00 0.00 C ATOM 0 H PHE 2 38 1.349 8.501 -7.019 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.868 11.053 -5.663 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.545 9.425 -6.849 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.818 9.951 -8.355 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.917 10.960 -5.537 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 3.209 12.189 -9.202 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 6.458 12.927 -5.596 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 4.750 14.156 -9.261 1.00 0.00 H new ATOM 0 HZ PHE 2 38 6.355 14.502 -7.456 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.438 12.536 -6.958 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.416 13.456 -7.689 1.00 0.00 C ATOM 1433 C ASP 2 39 0.432 14.251 -8.683 1.00 0.00 C ATOM 1434 O ASP 2 39 0.522 13.890 -9.856 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.091 14.451 -6.743 1.00 0.00 C ATOM 1436 CG ASP 2 39 -1.343 15.839 -7.336 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -2.195 15.920 -8.247 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -0.678 16.786 -6.865 1.00 0.00 O ATOM 0 H ASP 2 39 0.706 12.852 -6.026 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.179 12.872 -8.203 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -2.044 14.032 -6.419 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.472 14.560 -5.853 1.00 0.00 H new ATOM 1443 N SER 2 40 1.034 15.318 -8.179 1.00 0.00 N ATOM 1444 CA SER 2 40 1.872 16.166 -9.008 1.00 0.00 C ATOM 1445 C SER 2 40 1.015 17.217 -9.717 1.00 0.00 C ATOM 1446 O SER 2 40 1.517 18.264 -10.121 1.00 0.00 O ATOM 1447 CB SER 2 40 2.651 15.338 -10.033 1.00 0.00 C ATOM 1448 OG SER 2 40 3.931 15.900 -10.311 1.00 0.00 O ATOM 0 H SER 2 40 0.958 15.615 -7.206 1.00 0.00 H new ATOM 0 HA SER 2 40 2.593 16.669 -8.363 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.775 14.322 -9.659 1.00 0.00 H new ATOM 0 HB3 SER 2 40 2.076 15.270 -10.957 1.00 0.00 H new ATOM 0 HG SER 2 40 4.397 15.342 -10.968 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.265 16.900 -9.847 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.198 17.803 -10.499 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.390 19.066 -9.657 1.00 0.00 C ATOM 1457 O ARG 2 41 -1.452 20.172 -10.193 1.00 0.00 O ATOM 1458 CB ARG 2 41 -2.555 17.132 -10.717 1.00 0.00 C ATOM 1459 CG ARG 2 41 -2.382 15.674 -11.151 1.00 0.00 C ATOM 1460 CD ARG 2 41 -3.436 15.283 -12.189 1.00 0.00 C ATOM 1461 NE ARG 2 41 -2.861 15.365 -13.550 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -3.589 15.342 -14.675 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -4.923 15.239 -14.608 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -2.982 15.422 -15.867 1.00 0.00 N ATOM 0 H ARG 2 41 -0.678 16.030 -9.512 1.00 0.00 H new ATOM 0 HA ARG 2 41 -0.778 18.069 -11.469 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -3.138 17.175 -9.797 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -3.117 17.677 -11.476 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -1.385 15.531 -11.568 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -2.461 15.020 -10.282 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -3.791 14.271 -11.996 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -4.299 15.944 -12.110 1.00 0.00 H new ATOM 0 HE ARG 2 41 -1.848 15.444 -13.637 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -5.385 15.178 -13.701 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -5.477 15.222 -15.464 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -1.966 15.500 -15.918 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -3.536 15.405 -16.723 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.481 18.860 -8.351 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.666 19.968 -7.430 1.00 0.00 C ATOM 1480 C ILE 2 42 -0.502 20.000 -6.437 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.422 19.160 -5.541 1.00 0.00 O ATOM 1482 CB ILE 2 42 -3.040 19.887 -6.763 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -4.082 19.308 -7.723 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -3.464 21.250 -6.213 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.501 19.580 -7.222 1.00 0.00 C ATOM 0 H ILE 2 42 -1.430 17.942 -7.909 1.00 0.00 H new ATOM 0 HA ILE 2 42 -1.654 20.916 -7.968 1.00 0.00 H new ATOM 0 HB ILE 2 42 -2.968 19.206 -5.915 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -3.952 19.745 -8.713 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -3.929 18.234 -7.827 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -4.444 21.164 -5.744 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -2.737 21.587 -5.474 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -3.514 21.972 -7.028 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -6.221 19.158 -7.923 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -5.635 19.121 -6.243 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.659 20.656 -7.143 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.395 21.002 -6.635 1.00 0.00 N ATOM 1498 CA PRO 2 43 1.551 21.154 -5.767 1.00 0.00 C ATOM 1499 C PRO 2 43 1.146 21.736 -4.412 1.00 0.00 C ATOM 1500 O PRO 2 43 1.975 21.856 -3.511 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.506 22.051 -6.538 1.00 0.00 C ATOM 1502 CG PRO 2 43 1.664 22.743 -7.598 1.00 0.00 C ATOM 1503 CD PRO 2 43 0.333 22.014 -7.685 1.00 0.00 C ATOM 0 HA PRO 2 43 2.026 20.202 -5.527 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 2.978 22.779 -5.877 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 3.307 21.469 -6.994 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 1.509 23.790 -7.339 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 2.173 22.725 -8.562 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -0.503 22.696 -7.529 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 0.194 21.559 -8.666 1.00 0.00 H new ATOM 1511 N GLY 2 44 -0.128 22.085 -4.309 1.00 0.00 N ATOM 1512 CA GLY 2 44 -0.653 22.652 -3.079 1.00 0.00 C ATOM 1513 C GLY 2 44 -1.213 21.559 -2.167 1.00 0.00 C ATOM 1514 O GLY 2 44 -1.586 21.828 -1.025 1.00 0.00 O ATOM 0 H GLY 2 44 -0.813 21.986 -5.059 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 0.136 23.196 -2.559 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -1.437 23.373 -3.312 1.00 0.00 H new ATOM 1518 N VAL 2 45 -1.253 20.348 -2.702 1.00 0.00 N ATOM 1519 CA VAL 2 45 -1.760 19.213 -1.950 1.00 0.00 C ATOM 1520 C VAL 2 45 -0.665 18.151 -1.837 1.00 0.00 C ATOM 1521 O VAL 2 45 0.465 18.370 -2.271 1.00 0.00 O ATOM 1522 CB VAL 2 45 -3.041 18.685 -2.602 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -3.858 19.826 -3.209 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -2.722 17.618 -3.651 1.00 0.00 C ATOM 0 H VAL 2 45 -0.942 20.128 -3.648 1.00 0.00 H new ATOM 0 HA VAL 2 45 -2.026 19.514 -0.937 1.00 0.00 H new ATOM 0 HB VAL 2 45 -3.646 18.219 -1.824 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -4.762 19.423 -3.665 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -4.131 20.534 -2.427 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -3.264 20.335 -3.968 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -3.649 17.260 -4.099 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -2.087 18.048 -4.426 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -2.202 16.785 -3.177 1.00 0.00 H new ATOM 1534 N PRO 2 46 -1.048 16.992 -1.236 1.00 0.00 N ATOM 1535 CA PRO 2 46 -0.112 15.896 -1.060 1.00 0.00 C ATOM 1536 C PRO 2 46 0.136 15.168 -2.383 1.00 0.00 C ATOM 1537 O PRO 2 46 -0.797 14.650 -2.995 1.00 0.00 O ATOM 1538 CB PRO 2 46 -0.742 15.006 -0.002 1.00 0.00 C ATOM 1539 CG PRO 2 46 -2.214 15.385 0.039 1.00 0.00 C ATOM 1540 CD PRO 2 46 -2.378 16.697 -0.709 1.00 0.00 C ATOM 0 HA PRO 2 46 0.874 16.233 -0.742 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -0.617 13.953 -0.253 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 -0.272 15.161 0.969 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -2.822 14.605 -0.420 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -2.553 15.488 1.070 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -3.111 16.607 -1.511 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -2.726 17.490 -0.047 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.398 15.151 -2.786 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.779 14.495 -4.025 1.00 0.00 C ATOM 1550 C TRP 2 47 2.176 13.055 -3.695 1.00 0.00 C ATOM 1551 O TRP 2 47 2.966 12.445 -4.413 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.888 15.273 -4.738 1.00 0.00 C ATOM 1553 CG TRP 2 47 3.088 16.695 -4.211 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.336 17.777 -4.451 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 4.145 17.148 -3.340 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 2.828 18.890 -3.801 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 3.964 18.496 -3.104 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 5.220 16.442 -2.769 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 4.819 19.254 -2.294 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 6.064 17.215 -1.963 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 5.895 18.572 -1.715 1.00 0.00 C ATOM 0 H TRP 2 47 2.170 15.581 -2.276 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.943 14.474 -4.724 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.825 14.724 -4.638 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.658 15.320 -5.802 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.455 17.778 -5.075 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.431 19.829 -3.827 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.381 15.388 -2.939 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 4.657 20.308 -2.125 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 6.906 16.722 -1.501 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 6.591 19.098 -1.078 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.609 12.553 -2.608 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.893 11.196 -2.174 1.00 0.00 C ATOM 1574 C CYS 2 48 0.910 10.831 -1.060 1.00 0.00 C ATOM 1575 O CYS 2 48 1.087 11.235 0.087 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.348 11.039 -1.724 1.00 0.00 C ATOM 1577 SG CYS 2 48 3.900 9.308 -1.501 1.00 0.00 S ATOM 0 H CYS 2 48 0.954 13.062 -2.015 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.763 10.510 -3.011 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 3.994 11.520 -2.458 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.482 11.572 -0.783 1.00 0.00 H new ATOM 1582 N PHE 2 49 -0.107 10.071 -1.440 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.120 9.647 -0.488 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.473 8.171 -0.683 1.00 0.00 C ATOM 1585 O PHE 2 49 -0.782 7.454 -1.407 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.365 10.496 -0.752 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.478 11.004 -2.190 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.531 11.842 -2.692 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.526 10.619 -2.967 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.636 12.314 -4.027 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.631 11.091 -4.302 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.684 11.928 -4.804 1.00 0.00 C ATOM 0 H PHE 2 49 -0.251 9.738 -2.393 1.00 0.00 H new ATOM 0 HA PHE 2 49 -0.750 9.773 0.529 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.251 9.907 -0.515 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.360 11.350 -0.075 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.699 12.148 -2.075 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.278 9.954 -2.568 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -0.884 12.979 -4.426 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.463 10.785 -4.919 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -2.764 12.286 -5.820 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.547 7.760 -0.027 1.00 0.00 N ATOM 1603 CA LYS 2 50 -3.001 6.382 -0.120 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.469 6.361 -0.549 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.341 5.975 0.228 1.00 0.00 O ATOM 1606 CB LYS 2 50 -2.732 5.641 1.191 1.00 0.00 C ATOM 1607 CG LYS 2 50 -3.327 6.396 2.380 1.00 0.00 C ATOM 1608 CD LYS 2 50 -2.229 6.881 3.328 1.00 0.00 C ATOM 1609 CE LYS 2 50 -1.320 5.724 3.751 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -1.243 5.639 5.226 1.00 0.00 N ATOM 0 H LYS 2 50 -3.117 8.357 0.572 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.438 5.846 -0.884 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.159 4.640 1.141 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -1.658 5.522 1.332 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -3.905 7.248 2.022 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -4.017 5.747 2.919 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -1.636 7.654 2.839 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -2.680 7.336 4.210 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 -1.702 4.787 3.346 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 -0.322 5.867 3.336 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 -0.255 5.758 5.529 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -1.827 6.389 5.648 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -1.592 4.711 5.539 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.704 6.792 -1.817 1.00 0.00 N ATOM 1625 CA PRO 2 51 -6.051 6.826 -2.359 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.537 5.417 -2.710 1.00 0.00 C ATOM 1627 O PRO 2 51 -7.000 4.682 -1.841 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.967 7.744 -3.568 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.493 7.819 -3.932 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.695 7.257 -2.766 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.783 7.200 -1.643 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.555 7.352 -4.398 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.363 8.733 -3.336 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.295 7.249 -4.840 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.201 8.850 -4.132 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -3.047 6.441 -3.086 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -3.054 8.018 -2.321 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.414 5.086 -3.988 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.834 3.779 -4.465 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.627 2.839 -4.492 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.509 2.002 -5.386 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.546 3.905 -5.813 1.00 0.00 C ATOM 1643 CG LEU 2 52 -6.724 3.520 -7.044 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -6.954 2.055 -7.421 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -7.014 4.463 -8.214 1.00 0.00 C ATOM 0 H LEU 2 52 -6.030 5.700 -4.707 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.564 3.341 -3.785 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.440 3.282 -5.789 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -7.879 4.936 -5.931 1.00 0.00 H new ATOM 0 HG LEU 2 52 -5.668 3.628 -6.796 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -6.358 1.807 -8.299 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -6.659 1.415 -6.590 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -8.010 1.898 -7.643 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -6.417 4.167 -9.076 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -8.072 4.410 -8.470 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -6.760 5.484 -7.930 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.762 3.009 -3.503 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.569 2.186 -3.403 1.00 0.00 C ATOM 1659 C GLN 2 53 -3.915 0.717 -3.656 1.00 0.00 C ATOM 1660 O GLN 2 53 -3.050 -0.072 -4.037 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.894 2.363 -2.041 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.389 3.796 -1.863 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.429 4.183 -2.989 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -1.435 5.296 -3.490 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -0.606 3.206 -3.359 1.00 0.00 N ATOM 0 H GLN 2 53 -4.864 3.705 -2.764 1.00 0.00 H new ATOM 0 HA GLN 2 53 -2.863 2.510 -4.167 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.600 2.121 -1.247 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -2.061 1.666 -1.950 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -3.234 4.484 -1.849 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -1.884 3.891 -0.901 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -0.653 2.297 -2.898 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 0.073 3.365 -4.104 1.00 0.00 H new ATOM 1674 N GLU 2 54 -5.180 0.392 -3.435 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.651 -0.967 -3.634 1.00 0.00 C ATOM 1676 C GLU 2 54 -4.951 -1.600 -4.839 1.00 0.00 C ATOM 1677 O GLU 2 54 -4.798 -2.818 -4.903 1.00 0.00 O ATOM 1678 CB GLU 2 54 -7.172 -1.003 -3.802 1.00 0.00 C ATOM 1679 CG GLU 2 54 -7.573 -0.649 -5.236 1.00 0.00 C ATOM 1680 CD GLU 2 54 -7.881 -1.909 -6.046 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -7.007 -2.803 -6.060 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -8.983 -1.950 -6.634 1.00 0.00 O ATOM 0 H GLU 2 54 -5.894 1.048 -3.119 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.403 -1.550 -2.747 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.546 -1.995 -3.550 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.635 -0.302 -3.107 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -8.447 0.002 -5.223 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -6.768 -0.092 -5.715 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.545 -0.743 -5.764 1.00 0.00 N ATOM 1690 CA ALA 2 55 -3.865 -1.202 -6.963 1.00 0.00 C ATOM 1691 C ALA 2 55 -3.066 -2.466 -6.639 1.00 0.00 C ATOM 1692 O ALA 2 55 -3.356 -3.540 -7.164 1.00 0.00 O ATOM 1693 CB ALA 2 55 -2.982 -0.079 -7.511 1.00 0.00 C ATOM 0 H ALA 2 55 -4.674 0.267 -5.707 1.00 0.00 H new ATOM 0 HA ALA 2 55 -4.586 -1.458 -7.739 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -2.472 -0.423 -8.411 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -3.601 0.785 -7.753 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -2.244 0.202 -6.760 1.00 0.00 H new ATOM 1699 N GLU 2 56 -2.076 -2.296 -5.774 1.00 0.00 N ATOM 1700 CA GLU 2 56 -1.233 -3.410 -5.374 1.00 0.00 C ATOM 1701 C GLU 2 56 -0.934 -3.338 -3.875 1.00 0.00 C ATOM 1702 O GLU 2 56 -0.047 -4.031 -3.381 1.00 0.00 O ATOM 1703 CB GLU 2 56 0.061 -3.440 -6.190 1.00 0.00 C ATOM 1704 CG GLU 2 56 -0.074 -4.369 -7.398 1.00 0.00 C ATOM 1705 CD GLU 2 56 0.575 -3.753 -8.639 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 0.151 -2.636 -9.006 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 1.481 -4.413 -9.193 1.00 0.00 O ATOM 0 H GLU 2 56 -1.839 -1.404 -5.339 1.00 0.00 H new ATOM 0 HA GLU 2 56 -1.771 -4.337 -5.574 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 0.306 -2.433 -6.527 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 0.885 -3.775 -5.560 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 0.393 -5.329 -7.177 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -1.128 -4.565 -7.594 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.693 -2.492 -3.193 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.521 -2.320 -1.761 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.399 -3.348 -1.044 1.00 0.00 C ATOM 1717 O CYS 2 57 -1.904 -4.145 -0.249 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.842 -0.890 -1.320 1.00 0.00 C ATOM 1719 SG CYS 2 57 -0.491 -0.042 -0.423 1.00 0.00 S ATOM 0 H CYS 2 57 -2.428 -1.919 -3.606 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.477 -2.487 -1.496 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -2.099 -0.302 -2.201 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.726 -0.911 -0.682 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.686 -3.297 -1.353 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.637 -4.215 -0.748 1.00 0.00 C ATOM 1726 C THR 2 58 -4.417 -5.635 -1.273 1.00 0.00 C ATOM 1727 O THR 2 58 -4.476 -6.597 -0.511 1.00 0.00 O ATOM 1728 CB THR 2 58 -6.046 -3.680 -1.017 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -6.886 -4.488 -0.196 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.522 -3.972 -2.440 1.00 0.00 C ATOM 0 H THR 2 58 -4.093 -2.635 -2.014 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.496 -4.276 0.331 1.00 0.00 H new ATOM 0 HB THR 2 58 -6.065 -2.604 -0.843 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.819 -4.209 -0.307 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.526 -3.571 -2.577 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -5.844 -3.504 -3.154 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.536 -5.049 -2.605 1.00 0.00 H new ATOM 1738 N PHE 2 59 -4.165 -5.718 -2.572 1.00 0.00 N ATOM 1739 CA PHE 2 59 -3.935 -7.005 -3.207 1.00 0.00 C ATOM 1740 C PHE 2 59 -3.280 -7.988 -2.235 1.00 0.00 C ATOM 1741 O PHE 2 59 -2.479 -8.828 -2.641 1.00 0.00 O ATOM 1742 CB PHE 2 59 -2.986 -6.760 -4.382 1.00 0.00 C ATOM 1743 CG PHE 2 59 -3.609 -7.030 -5.753 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -4.819 -6.493 -6.068 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -2.954 -7.807 -6.656 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -5.397 -6.744 -7.339 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -3.532 -8.059 -7.928 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -4.743 -7.522 -8.243 1.00 0.00 C ATOM 0 H PHE 2 59 -4.115 -4.916 -3.201 1.00 0.00 H new ATOM 0 HA PHE 2 59 -4.883 -7.434 -3.531 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -2.642 -5.726 -4.348 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -2.106 -7.393 -4.263 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -5.339 -5.876 -5.350 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -1.994 -8.233 -6.406 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -6.357 -6.317 -7.589 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -3.012 -8.676 -8.645 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -5.184 -7.714 -9.210 1.00 0.00 H new TER 1758 PHE 2 59