USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 462 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 114:sc= 0.0222 USER MOD Single : A -3 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD Single : A -5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A -6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -7 MET CE :methyl -125:sc= -1.62 (180deg=-3.59!) USER MOD Single : A -9 LYS NZ :NH3+ -171:sc= -0.341 (180deg=-0.431) USER MOD Single : A 10 SER OG : rot 43:sc= 0.0495 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 37:sc= 0.0636 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.731 USER MOD Single : A 17 ASN : amide:sc= -1.32 K(o=-1.3,f=-6.7!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 125:sc= 0.0725 USER MOD Single : A 27 THR OG1 : rot 76:sc= 0.0383 USER MOD Single : A 31 ASN : amide:sc= 1.02 K(o=1,f=-0.022) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -1.22 USER MOD Single : A 39 SER OG : rot -45:sc= 0.0204 USER MOD Single : A 43 SER OG : rot -28:sc= 0.45 USER MOD Single : A -11 ASN : amide:sc= 0.151 X(o=0.15,f=0) USER MOD Single : A -14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -16 SER OG : rot 180:sc= 0 USER MOD Single : A -17 ASN : amide:sc= -0.538 K(o=-0.54,f=-2.8!) USER MOD Single : A -18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -18 MET N :NH3+ -120:sc= 0.0274 (180deg=-0.498) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -18 6.173 -20.447 36.167 1.00 0.00 N ATOM 2 CA MET A -18 5.659 -21.380 37.204 1.00 0.00 C ATOM 3 C MET A -18 4.261 -20.976 37.664 1.00 0.00 C ATOM 4 O MET A -18 3.732 -19.947 37.246 1.00 0.00 O ATOM 5 CB MET A -18 6.627 -21.373 38.388 1.00 0.00 C ATOM 6 CG MET A -18 7.994 -21.951 38.058 1.00 0.00 C ATOM 7 SD MET A -18 9.335 -21.083 38.893 1.00 0.00 S ATOM 8 CE MET A -18 10.495 -22.423 39.152 1.00 0.00 C ATOM 0 H1 MET A -18 6.369 -20.974 35.292 1.00 0.00 H new ATOM 0 H2 MET A -18 5.461 -19.713 35.977 1.00 0.00 H new ATOM 0 H3 MET A -18 7.049 -20.001 36.505 1.00 0.00 H new ATOM 0 HA MET A -18 5.589 -22.382 36.782 1.00 0.00 H new ATOM 0 HB2 MET A -18 6.750 -20.349 38.740 1.00 0.00 H new ATOM 0 HB3 MET A -18 6.189 -21.942 39.208 1.00 0.00 H new ATOM 0 HG2 MET A -18 8.017 -23.004 38.340 1.00 0.00 H new ATOM 0 HG3 MET A -18 8.153 -21.906 36.981 1.00 0.00 H new ATOM 0 HE1 MET A -18 11.381 -22.044 39.661 1.00 0.00 H new ATOM 0 HE2 MET A -18 10.028 -23.195 39.763 1.00 0.00 H new ATOM 0 HE3 MET A -18 10.782 -22.847 38.190 1.00 0.00 H new ATOM 20 N ASN A -17 3.670 -21.796 38.527 1.00 0.00 N ATOM 21 CA ASN A -17 2.334 -21.525 39.044 1.00 0.00 C ATOM 22 C ASN A -17 2.402 -20.668 40.305 1.00 0.00 C ATOM 23 O ASN A -17 2.058 -21.121 41.397 1.00 0.00 O ATOM 24 CB ASN A -17 1.604 -22.838 39.341 1.00 0.00 C ATOM 25 CG ASN A -17 2.327 -23.680 40.374 1.00 0.00 C ATOM 26 OD1 ASN A -17 3.413 -24.199 40.118 1.00 0.00 O ATOM 27 ND2 ASN A -17 1.725 -23.819 41.550 1.00 0.00 N ATOM 0 H ASN A -17 4.095 -22.653 38.883 1.00 0.00 H new ATOM 0 HA ASN A -17 1.781 -20.974 38.283 1.00 0.00 H new ATOM 0 HB2 ASN A -17 0.597 -22.619 39.695 1.00 0.00 H new ATOM 0 HB3 ASN A -17 1.500 -23.409 38.419 1.00 0.00 H new ATOM 0 HD21 ASN A -17 2.163 -24.374 42.285 1.00 0.00 H new ATOM 0 HD22 ASN A -17 0.825 -23.370 41.718 1.00 0.00 H new ATOM 34 N SER A -16 2.849 -19.426 40.145 1.00 0.00 N ATOM 35 CA SER A -16 2.962 -18.505 41.269 1.00 0.00 C ATOM 36 C SER A -16 1.589 -17.993 41.693 1.00 0.00 C ATOM 37 O SER A -16 0.824 -17.481 40.873 1.00 0.00 O ATOM 38 CB SER A -16 3.868 -17.330 40.903 1.00 0.00 C ATOM 39 OG SER A -16 5.222 -17.739 40.808 1.00 0.00 O ATOM 0 H SER A -16 3.138 -19.035 39.248 1.00 0.00 H new ATOM 0 HA SER A -16 3.402 -19.046 42.107 1.00 0.00 H new ATOM 0 HB2 SER A -16 3.547 -16.901 39.954 1.00 0.00 H new ATOM 0 HB3 SER A -16 3.774 -16.546 41.655 1.00 0.00 H new ATOM 0 HG SER A -16 5.780 -16.969 40.571 1.00 0.00 H new ATOM 45 N VAL A -15 1.286 -18.121 42.980 1.00 0.00 N ATOM 46 CA VAL A -15 0.004 -17.670 43.506 1.00 0.00 C ATOM 47 C VAL A -15 0.123 -16.269 44.083 1.00 0.00 C ATOM 48 O VAL A -15 -0.860 -15.532 44.155 1.00 0.00 O ATOM 49 CB VAL A -15 -0.527 -18.624 44.594 1.00 0.00 C ATOM 50 CG1 VAL A -15 -1.932 -18.223 45.017 1.00 0.00 C ATOM 51 CG2 VAL A -15 -0.501 -20.064 44.104 1.00 0.00 C ATOM 0 H VAL A -15 1.908 -18.532 43.676 1.00 0.00 H new ATOM 0 HA VAL A -15 -0.700 -17.662 42.674 1.00 0.00 H new ATOM 0 HB VAL A -15 0.125 -18.550 45.464 1.00 0.00 H new ATOM 0 HG11 VAL A -15 -2.290 -18.908 45.786 1.00 0.00 H new ATOM 0 HG12 VAL A -15 -1.917 -17.208 45.414 1.00 0.00 H new ATOM 0 HG13 VAL A -15 -2.598 -18.265 44.155 1.00 0.00 H new ATOM 0 HG21 VAL A -15 -0.880 -20.722 44.887 1.00 0.00 H new ATOM 0 HG22 VAL A -15 -1.127 -20.158 43.217 1.00 0.00 H new ATOM 0 HG23 VAL A -15 0.523 -20.346 43.857 1.00 0.00 H new ATOM 61 N LYS A -14 1.336 -15.895 44.462 1.00 0.00 N ATOM 62 CA LYS A -14 1.584 -14.566 44.995 1.00 0.00 C ATOM 63 C LYS A -14 1.713 -13.581 43.844 1.00 0.00 C ATOM 64 O LYS A -14 1.270 -12.436 43.935 1.00 0.00 O ATOM 65 CB LYS A -14 2.853 -14.551 45.851 1.00 0.00 C ATOM 66 CG LYS A -14 4.082 -15.093 45.137 1.00 0.00 C ATOM 67 CD LYS A -14 5.081 -13.988 44.827 1.00 0.00 C ATOM 68 CE LYS A -14 5.848 -13.567 46.070 1.00 0.00 C ATOM 69 NZ LYS A -14 6.979 -14.489 46.365 1.00 0.00 N ATOM 0 H LYS A -14 2.161 -16.492 44.410 1.00 0.00 H new ATOM 0 HA LYS A -14 0.747 -14.277 45.631 1.00 0.00 H new ATOM 0 HB2 LYS A -14 3.052 -13.528 46.171 1.00 0.00 H new ATOM 0 HB3 LYS A -14 2.679 -15.139 46.752 1.00 0.00 H new ATOM 0 HG2 LYS A -14 4.559 -15.852 45.757 1.00 0.00 H new ATOM 0 HG3 LYS A -14 3.780 -15.582 44.211 1.00 0.00 H new ATOM 0 HD2 LYS A -14 5.781 -14.332 44.065 1.00 0.00 H new ATOM 0 HD3 LYS A -14 4.556 -13.127 44.413 1.00 0.00 H new ATOM 0 HE2 LYS A -14 6.231 -12.555 45.935 1.00 0.00 H new ATOM 0 HE3 LYS A -14 5.170 -13.540 46.923 1.00 0.00 H new ATOM 0 HZ1 LYS A -14 7.476 -14.167 47.220 1.00 0.00 H new ATOM 0 HZ2 LYS A -14 6.612 -15.450 46.519 1.00 0.00 H new ATOM 0 HZ3 LYS A -14 7.640 -14.496 45.562 1.00 0.00 H new ATOM 83 N GLU A -13 2.304 -14.051 42.752 1.00 0.00 N ATOM 84 CA GLU A -13 2.474 -13.235 41.565 1.00 0.00 C ATOM 85 C GLU A -13 1.149 -13.106 40.835 1.00 0.00 C ATOM 86 O GLU A -13 0.803 -12.038 40.329 1.00 0.00 O ATOM 87 CB GLU A -13 3.532 -13.840 40.640 1.00 0.00 C ATOM 88 CG GLU A -13 4.959 -13.557 41.079 1.00 0.00 C ATOM 89 CD GLU A -13 5.649 -12.534 40.198 1.00 0.00 C ATOM 90 OE1 GLU A -13 4.941 -11.778 39.499 1.00 0.00 O ATOM 91 OE2 GLU A -13 6.898 -12.488 40.206 1.00 0.00 O ATOM 0 H GLU A -13 2.674 -14.998 42.668 1.00 0.00 H new ATOM 0 HA GLU A -13 2.813 -12.244 41.868 1.00 0.00 H new ATOM 0 HB2 GLU A -13 3.384 -14.919 40.589 1.00 0.00 H new ATOM 0 HB3 GLU A -13 3.387 -13.450 39.632 1.00 0.00 H new ATOM 0 HG2 GLU A -13 4.954 -13.200 42.109 1.00 0.00 H new ATOM 0 HG3 GLU A -13 5.530 -14.486 41.067 1.00 0.00 H new ATOM 98 N LEU A -12 0.407 -14.204 40.798 1.00 0.00 N ATOM 99 CA LEU A -12 -0.894 -14.224 40.143 1.00 0.00 C ATOM 100 C LEU A -12 -1.906 -13.395 40.928 1.00 0.00 C ATOM 101 O LEU A -12 -2.877 -12.890 40.366 1.00 0.00 O ATOM 102 CB LEU A -12 -1.397 -15.661 39.994 1.00 0.00 C ATOM 103 CG LEU A -12 -1.026 -16.348 38.677 1.00 0.00 C ATOM 104 CD1 LEU A -12 0.464 -16.208 38.396 1.00 0.00 C ATOM 105 CD2 LEU A -12 -1.430 -17.815 38.712 1.00 0.00 C ATOM 0 H LEU A -12 0.684 -15.093 41.214 1.00 0.00 H new ATOM 0 HA LEU A -12 -0.781 -13.787 39.151 1.00 0.00 H new ATOM 0 HB2 LEU A -12 -1.002 -16.255 40.819 1.00 0.00 H new ATOM 0 HB3 LEU A -12 -2.483 -15.661 40.092 1.00 0.00 H new ATOM 0 HG LEU A -12 -1.570 -15.859 37.869 1.00 0.00 H new ATOM 0 HD11 LEU A -12 0.705 -16.703 37.456 1.00 0.00 H new ATOM 0 HD12 LEU A -12 0.723 -15.152 38.327 1.00 0.00 H new ATOM 0 HD13 LEU A -12 1.032 -16.669 39.205 1.00 0.00 H new ATOM 0 HD21 LEU A -12 -1.160 -18.289 37.769 1.00 0.00 H new ATOM 0 HD22 LEU A -12 -0.913 -18.315 39.531 1.00 0.00 H new ATOM 0 HD23 LEU A -12 -2.507 -17.892 38.861 1.00 0.00 H new ATOM 117 N ASN A -11 -1.671 -13.259 42.229 1.00 0.00 N ATOM 118 CA ASN A -11 -2.563 -12.490 43.086 1.00 0.00 C ATOM 119 C ASN A -11 -2.477 -11.004 42.766 1.00 0.00 C ATOM 120 O ASN A -11 -3.467 -10.278 42.853 1.00 0.00 O ATOM 121 CB ASN A -11 -2.227 -12.731 44.561 1.00 0.00 C ATOM 122 CG ASN A -11 -3.404 -13.283 45.341 1.00 0.00 C ATOM 123 OD1 ASN A -11 -4.152 -12.535 45.970 1.00 0.00 O ATOM 124 ND2 ASN A -11 -3.575 -14.599 45.302 1.00 0.00 N ATOM 0 H ASN A -11 -0.872 -13.671 42.711 1.00 0.00 H new ATOM 0 HA ASN A -11 -3.583 -12.824 42.897 1.00 0.00 H new ATOM 0 HB2 ASN A -11 -1.390 -13.426 44.631 1.00 0.00 H new ATOM 0 HB3 ASN A -11 -1.902 -11.794 45.014 1.00 0.00 H new ATOM 0 HD21 ASN A -11 -4.351 -15.028 45.806 1.00 0.00 H new ATOM 0 HD22 ASN A -11 -2.930 -15.181 44.768 1.00 0.00 H new ATOM 131 N VAL A -10 -1.285 -10.566 42.393 1.00 0.00 N ATOM 132 CA VAL A -10 -1.052 -9.167 42.055 1.00 0.00 C ATOM 133 C VAL A -10 -1.641 -8.826 40.690 1.00 0.00 C ATOM 134 O VAL A -10 -2.440 -7.901 40.561 1.00 0.00 O ATOM 135 CB VAL A -10 0.452 -8.832 42.051 1.00 0.00 C ATOM 136 CG1 VAL A -10 0.664 -7.334 41.894 1.00 0.00 C ATOM 137 CG2 VAL A -10 1.115 -9.343 43.320 1.00 0.00 C ATOM 0 H VAL A -10 -0.460 -11.160 42.316 1.00 0.00 H new ATOM 0 HA VAL A -10 -1.547 -8.570 42.821 1.00 0.00 H new ATOM 0 HB VAL A -10 0.916 -9.332 41.201 1.00 0.00 H new ATOM 0 HG11 VAL A -10 1.732 -7.116 41.893 1.00 0.00 H new ATOM 0 HG12 VAL A -10 0.225 -7.001 40.954 1.00 0.00 H new ATOM 0 HG13 VAL A -10 0.187 -6.810 42.723 1.00 0.00 H new ATOM 0 HG21 VAL A -10 2.177 -9.098 43.300 1.00 0.00 H new ATOM 0 HG22 VAL A -10 0.650 -8.874 44.187 1.00 0.00 H new ATOM 0 HG23 VAL A -10 0.994 -10.424 43.384 1.00 0.00 H new ATOM 147 N LYS A -9 -1.237 -9.582 39.673 1.00 0.00 N ATOM 148 CA LYS A -9 -1.721 -9.362 38.314 1.00 0.00 C ATOM 149 C LYS A -9 -3.242 -9.469 38.253 1.00 0.00 C ATOM 150 O LYS A -9 -3.887 -8.818 37.431 1.00 0.00 O ATOM 151 CB LYS A -9 -1.089 -10.373 37.355 1.00 0.00 C ATOM 152 CG LYS A -9 0.202 -9.884 36.720 1.00 0.00 C ATOM 153 CD LYS A -9 1.380 -10.027 37.670 1.00 0.00 C ATOM 154 CE LYS A -9 2.201 -11.268 37.356 1.00 0.00 C ATOM 155 NZ LYS A -9 1.344 -12.475 37.195 1.00 0.00 N ATOM 0 H LYS A -9 -0.575 -10.353 39.765 1.00 0.00 H new ATOM 0 HA LYS A -9 -1.433 -8.355 38.012 1.00 0.00 H new ATOM 0 HB2 LYS A -9 -0.891 -11.299 37.895 1.00 0.00 H new ATOM 0 HB3 LYS A -9 -1.804 -10.611 36.568 1.00 0.00 H new ATOM 0 HG2 LYS A -9 0.397 -10.450 35.809 1.00 0.00 H new ATOM 0 HG3 LYS A -9 0.093 -8.839 36.429 1.00 0.00 H new ATOM 0 HD2 LYS A -9 2.014 -9.143 37.601 1.00 0.00 H new ATOM 0 HD3 LYS A -9 1.017 -10.080 38.696 1.00 0.00 H new ATOM 0 HE2 LYS A -9 2.772 -11.104 36.442 1.00 0.00 H new ATOM 0 HE3 LYS A -9 2.922 -11.439 38.156 1.00 0.00 H new ATOM 0 HZ1 LYS A -9 1.945 -13.322 37.134 1.00 0.00 H new ATOM 0 HZ2 LYS A -9 0.707 -12.560 38.013 1.00 0.00 H new ATOM 0 HZ3 LYS A -9 0.780 -12.387 36.325 1.00 0.00 H new ATOM 169 N GLU A -8 -3.809 -10.294 39.127 1.00 0.00 N ATOM 170 CA GLU A -8 -5.254 -10.487 39.171 1.00 0.00 C ATOM 171 C GLU A -8 -5.975 -9.168 39.420 1.00 0.00 C ATOM 172 O GLU A -8 -6.480 -8.536 38.493 1.00 0.00 O ATOM 173 CB GLU A -8 -5.621 -11.507 40.254 1.00 0.00 C ATOM 174 CG GLU A -8 -6.148 -12.820 39.698 1.00 0.00 C ATOM 175 CD GLU A -8 -7.455 -13.243 40.340 1.00 0.00 C ATOM 176 OE1 GLU A -8 -8.407 -12.435 40.336 1.00 0.00 O ATOM 177 OE2 GLU A -8 -7.526 -14.382 40.846 1.00 0.00 O ATOM 0 H GLU A -8 -3.290 -10.840 39.815 1.00 0.00 H new ATOM 0 HA GLU A -8 -5.575 -10.870 38.202 1.00 0.00 H new ATOM 0 HB2 GLU A -8 -4.741 -11.708 40.866 1.00 0.00 H new ATOM 0 HB3 GLU A -8 -6.374 -11.072 40.911 1.00 0.00 H new ATOM 0 HG2 GLU A -8 -6.291 -12.723 38.622 1.00 0.00 H new ATOM 0 HG3 GLU A -8 -5.403 -13.600 39.852 1.00 0.00 H new ATOM 184 N MET A -7 -6.015 -8.762 40.680 1.00 0.00 N ATOM 185 CA MET A -7 -6.672 -7.519 41.070 1.00 0.00 C ATOM 186 C MET A -7 -6.115 -6.331 40.288 1.00 0.00 C ATOM 187 O MET A -7 -6.794 -5.318 40.114 1.00 0.00 O ATOM 188 CB MET A -7 -6.502 -7.279 42.572 1.00 0.00 C ATOM 189 CG MET A -7 -5.058 -7.062 42.994 1.00 0.00 C ATOM 190 SD MET A -7 -4.661 -5.321 43.244 1.00 0.00 S ATOM 191 CE MET A -7 -2.979 -5.265 42.633 1.00 0.00 C ATOM 0 H MET A -7 -5.598 -9.277 41.456 1.00 0.00 H new ATOM 0 HA MET A -7 -7.733 -7.614 40.838 1.00 0.00 H new ATOM 0 HB2 MET A -7 -7.091 -6.409 42.861 1.00 0.00 H new ATOM 0 HB3 MET A -7 -6.906 -8.133 43.116 1.00 0.00 H new ATOM 0 HG2 MET A -7 -4.867 -7.610 43.917 1.00 0.00 H new ATOM 0 HG3 MET A -7 -4.395 -7.476 42.234 1.00 0.00 H new ATOM 0 HE1 MET A -7 -2.326 -4.854 43.403 1.00 0.00 H new ATOM 0 HE2 MET A -7 -2.651 -6.273 42.379 1.00 0.00 H new ATOM 0 HE3 MET A -7 -2.935 -4.634 41.745 1.00 0.00 H new ATOM 201 N LYS A -6 -4.875 -6.464 39.817 1.00 0.00 N ATOM 202 CA LYS A -6 -4.230 -5.401 39.054 1.00 0.00 C ATOM 203 C LYS A -6 -5.095 -4.976 37.872 1.00 0.00 C ATOM 204 O LYS A -6 -5.610 -3.860 37.839 1.00 0.00 O ATOM 205 CB LYS A -6 -2.856 -5.862 38.560 1.00 0.00 C ATOM 206 CG LYS A -6 -1.702 -5.349 39.406 1.00 0.00 C ATOM 207 CD LYS A -6 -0.358 -5.775 38.836 1.00 0.00 C ATOM 208 CE LYS A -6 0.604 -4.602 38.735 1.00 0.00 C ATOM 209 NZ LYS A -6 1.563 -4.570 39.875 1.00 0.00 N ATOM 0 H LYS A -6 -4.300 -7.296 39.951 1.00 0.00 H new ATOM 0 HA LYS A -6 -4.102 -4.541 39.712 1.00 0.00 H new ATOM 0 HB2 LYS A -6 -2.830 -6.952 38.548 1.00 0.00 H new ATOM 0 HB3 LYS A -6 -2.718 -5.528 37.532 1.00 0.00 H new ATOM 0 HG2 LYS A -6 -1.746 -4.261 39.462 1.00 0.00 H new ATOM 0 HG3 LYS A -6 -1.802 -5.724 40.424 1.00 0.00 H new ATOM 0 HD2 LYS A -6 0.077 -6.550 39.468 1.00 0.00 H new ATOM 0 HD3 LYS A -6 -0.503 -6.213 37.849 1.00 0.00 H new ATOM 0 HE2 LYS A -6 1.156 -4.665 37.798 1.00 0.00 H new ATOM 0 HE3 LYS A -6 0.039 -3.670 38.710 1.00 0.00 H new ATOM 0 HZ1 LYS A -6 2.201 -3.756 39.769 1.00 0.00 H new ATOM 0 HZ2 LYS A -6 1.038 -4.484 40.768 1.00 0.00 H new ATOM 0 HZ3 LYS A -6 2.120 -5.448 39.884 1.00 0.00 H new ATOM 223 N GLN A -5 -5.255 -5.877 36.904 1.00 0.00 N ATOM 224 CA GLN A -5 -6.063 -5.591 35.728 1.00 0.00 C ATOM 225 C GLN A -5 -7.540 -5.883 35.978 1.00 0.00 C ATOM 226 O GLN A -5 -8.325 -6.013 35.039 1.00 0.00 O ATOM 227 CB GLN A -5 -5.584 -6.441 34.566 1.00 0.00 C ATOM 228 CG GLN A -5 -4.305 -5.936 33.919 1.00 0.00 C ATOM 229 CD GLN A -5 -3.359 -7.060 33.542 1.00 0.00 C ATOM 230 OE1 GLN A -5 -3.691 -7.916 32.721 1.00 0.00 O ATOM 231 NE2 GLN A -5 -2.175 -7.063 34.142 1.00 0.00 N ATOM 0 H GLN A -5 -4.836 -6.807 36.914 1.00 0.00 H new ATOM 0 HA GLN A -5 -5.955 -4.531 35.498 1.00 0.00 H new ATOM 0 HB2 GLN A -5 -5.424 -7.461 34.916 1.00 0.00 H new ATOM 0 HB3 GLN A -5 -6.369 -6.483 33.811 1.00 0.00 H new ATOM 0 HG2 GLN A -5 -4.556 -5.362 33.027 1.00 0.00 H new ATOM 0 HG3 GLN A -5 -3.800 -5.255 34.604 1.00 0.00 H new ATOM 0 HE21 GLN A -5 -1.943 -6.333 34.816 1.00 0.00 H new ATOM 0 HE22 GLN A -5 -1.497 -7.795 33.929 1.00 0.00 H new ATOM 240 N LEU A -4 -7.909 -5.976 37.243 1.00 0.00 N ATOM 241 CA LEU A -4 -9.289 -6.243 37.627 1.00 0.00 C ATOM 242 C LEU A -4 -10.066 -4.947 37.778 1.00 0.00 C ATOM 243 O LEU A -4 -11.014 -4.679 37.039 1.00 0.00 O ATOM 244 CB LEU A -4 -9.337 -7.038 38.935 1.00 0.00 C ATOM 245 CG LEU A -4 -10.635 -7.811 39.175 1.00 0.00 C ATOM 246 CD1 LEU A -4 -10.344 -9.161 39.814 1.00 0.00 C ATOM 247 CD2 LEU A -4 -11.584 -7.001 40.046 1.00 0.00 C ATOM 0 H LEU A -4 -7.268 -5.870 38.030 1.00 0.00 H new ATOM 0 HA LEU A -4 -9.751 -6.835 36.837 1.00 0.00 H new ATOM 0 HB2 LEU A -4 -8.505 -7.742 38.945 1.00 0.00 H new ATOM 0 HB3 LEU A -4 -9.182 -6.350 39.766 1.00 0.00 H new ATOM 0 HG LEU A -4 -11.115 -7.984 38.212 1.00 0.00 H new ATOM 0 HD11 LEU A -4 -11.280 -9.696 39.977 1.00 0.00 H new ATOM 0 HD12 LEU A -4 -9.702 -9.745 39.154 1.00 0.00 H new ATOM 0 HD13 LEU A -4 -9.841 -9.011 40.769 1.00 0.00 H new ATOM 0 HD21 LEU A -4 -12.502 -7.566 40.207 1.00 0.00 H new ATOM 0 HD22 LEU A -4 -11.111 -6.796 41.007 1.00 0.00 H new ATOM 0 HD23 LEU A -4 -11.819 -6.060 39.550 1.00 0.00 H new ATOM 259 N HIS A -3 -9.651 -4.151 38.747 1.00 0.00 N ATOM 260 CA HIS A -3 -10.292 -2.871 39.022 1.00 0.00 C ATOM 261 C HIS A -3 -10.006 -1.862 37.915 1.00 0.00 C ATOM 262 O HIS A -3 -10.743 -0.890 37.743 1.00 0.00 O ATOM 263 CB HIS A -3 -9.818 -2.319 40.367 1.00 0.00 C ATOM 264 CG HIS A -3 -10.512 -2.931 41.544 1.00 0.00 C ATOM 265 ND1 HIS A -3 -10.345 -4.248 41.915 1.00 0.00 N ATOM 266 CD2 HIS A -3 -11.381 -2.397 42.436 1.00 0.00 C ATOM 267 CE1 HIS A -3 -11.080 -4.499 42.984 1.00 0.00 C ATOM 268 NE2 HIS A -3 -11.718 -3.393 43.319 1.00 0.00 N ATOM 0 H HIS A -3 -8.867 -4.368 39.363 1.00 0.00 H new ATOM 0 HA HIS A -3 -11.369 -3.037 39.062 1.00 0.00 H new ATOM 0 HB2 HIS A -3 -8.745 -2.486 40.461 1.00 0.00 H new ATOM 0 HB3 HIS A -3 -9.975 -1.241 40.383 1.00 0.00 H new ATOM 0 HD2 HIS A -3 -11.741 -1.379 42.450 1.00 0.00 H new ATOM 0 HE1 HIS A -3 -11.147 -5.447 43.496 1.00 0.00 H new ATOM 0 HE2 HIS A -3 -12.358 -3.294 44.107 1.00 0.00 H new ATOM 277 N GLY A -2 -8.936 -2.096 37.166 1.00 0.00 N ATOM 278 CA GLY A -2 -8.574 -1.197 36.086 1.00 0.00 C ATOM 279 C GLY A -2 -8.015 -1.930 34.882 1.00 0.00 C ATOM 280 O GLY A -2 -7.025 -2.654 34.992 1.00 0.00 O ATOM 0 H GLY A -2 -8.311 -2.893 37.287 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -9.452 -0.625 35.784 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -7.836 -0.481 36.446 1.00 0.00 H new ATOM 284 N GLY A -1 -8.650 -1.743 33.730 1.00 0.00 N ATOM 285 CA GLY A -1 -8.196 -2.397 32.518 1.00 0.00 C ATOM 286 C GLY A -1 -7.383 -1.476 31.630 1.00 0.00 C ATOM 287 O GLY A -1 -7.388 -1.617 30.407 1.00 0.00 O ATOM 0 H GLY A -1 -9.472 -1.150 33.615 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -7.594 -3.266 32.782 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -9.059 -2.764 31.962 1.00 0.00 H new ATOM 291 N VAL A 1 -6.681 -0.531 32.246 1.00 0.00 N ATOM 292 CA VAL A 1 -5.859 0.418 31.505 1.00 0.00 C ATOM 293 C VAL A 1 -4.391 0.299 31.902 1.00 0.00 C ATOM 294 O VAL A 1 -3.999 0.709 32.994 1.00 0.00 O ATOM 295 CB VAL A 1 -6.326 1.869 31.735 1.00 0.00 C ATOM 296 CG1 VAL A 1 -5.562 2.827 30.835 1.00 0.00 C ATOM 297 CG2 VAL A 1 -7.826 1.991 31.503 1.00 0.00 C ATOM 0 H VAL A 1 -6.665 -0.402 33.258 1.00 0.00 H new ATOM 0 HA VAL A 1 -5.969 0.174 30.448 1.00 0.00 H new ATOM 0 HB VAL A 1 -6.118 2.137 32.771 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -5.906 3.846 31.013 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -4.496 2.761 31.054 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -5.735 2.562 29.792 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -8.137 3.022 31.670 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -8.060 1.703 30.478 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -8.356 1.336 32.194 1.00 0.00 H new ATOM 307 N ASN A 2 -3.585 -0.264 31.007 1.00 0.00 N ATOM 308 CA ASN A 2 -2.160 -0.436 31.265 1.00 0.00 C ATOM 309 C ASN A 2 -1.336 -0.050 30.040 1.00 0.00 C ATOM 310 O ASN A 2 -0.700 -0.898 29.413 1.00 0.00 O ATOM 311 CB ASN A 2 -1.864 -1.883 31.663 1.00 0.00 C ATOM 312 CG ASN A 2 -1.846 -2.077 33.167 1.00 0.00 C ATOM 313 OD1 ASN A 2 -0.857 -1.765 33.832 1.00 0.00 O ATOM 314 ND2 ASN A 2 -2.941 -2.593 33.711 1.00 0.00 N ATOM 0 H ASN A 2 -3.894 -0.608 30.098 1.00 0.00 H new ATOM 0 HA ASN A 2 -1.881 0.222 32.088 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.616 -2.539 31.224 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -0.900 -2.181 31.249 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.987 -2.746 34.718 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.737 -2.837 33.122 1.00 0.00 H new ATOM 321 N TYR A 3 -1.353 1.235 29.703 1.00 0.00 N ATOM 322 CA TYR A 3 -0.608 1.735 28.554 1.00 0.00 C ATOM 323 C TYR A 3 -1.074 1.060 27.267 1.00 0.00 C ATOM 324 O TYR A 3 -0.267 0.725 26.400 1.00 0.00 O ATOM 325 CB TYR A 3 0.891 1.501 28.752 1.00 0.00 C ATOM 326 CG TYR A 3 1.563 2.560 29.596 1.00 0.00 C ATOM 327 CD1 TYR A 3 1.772 3.841 29.102 1.00 0.00 C ATOM 328 CD2 TYR A 3 1.990 2.278 30.888 1.00 0.00 C ATOM 329 CE1 TYR A 3 2.386 4.812 29.871 1.00 0.00 C ATOM 330 CE2 TYR A 3 2.604 3.243 31.663 1.00 0.00 C ATOM 331 CZ TYR A 3 2.801 4.507 31.150 1.00 0.00 C ATOM 332 OH TYR A 3 3.413 5.470 31.919 1.00 0.00 O ATOM 0 H TYR A 3 -1.875 1.950 30.210 1.00 0.00 H new ATOM 0 HA TYR A 3 -0.794 2.806 28.469 1.00 0.00 H new ATOM 0 HB2 TYR A 3 1.040 0.528 29.219 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.376 1.464 27.777 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.449 4.083 28.100 1.00 0.00 H new ATOM 0 HD2 TYR A 3 1.839 1.288 31.293 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.540 5.804 29.472 1.00 0.00 H new ATOM 0 HE2 TYR A 3 2.928 3.008 32.666 1.00 0.00 H new ATOM 0 HH TYR A 3 3.642 5.093 32.794 1.00 0.00 H new ATOM 342 N GLY A 4 -2.384 0.866 27.149 1.00 0.00 N ATOM 343 CA GLY A 4 -2.937 0.233 25.966 1.00 0.00 C ATOM 344 C GLY A 4 -3.975 1.095 25.273 1.00 0.00 C ATOM 345 O GLY A 4 -4.806 0.590 24.519 1.00 0.00 O ATOM 0 H GLY A 4 -3.072 1.136 27.852 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.131 0.010 25.267 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.389 -0.719 26.246 1.00 0.00 H new ATOM 349 N ASN A 5 -3.929 2.399 25.529 1.00 0.00 N ATOM 350 CA ASN A 5 -4.874 3.332 24.925 1.00 0.00 C ATOM 351 C ASN A 5 -4.174 4.271 23.947 1.00 0.00 C ATOM 352 O ASN A 5 -4.813 4.868 23.079 1.00 0.00 O ATOM 353 CB ASN A 5 -5.585 4.144 26.008 1.00 0.00 C ATOM 354 CG ASN A 5 -6.879 3.495 26.460 1.00 0.00 C ATOM 355 OD1 ASN A 5 -7.968 3.924 26.077 1.00 0.00 O ATOM 356 ND2 ASN A 5 -6.767 2.456 27.281 1.00 0.00 N ATOM 0 H ASN A 5 -3.247 2.833 26.151 1.00 0.00 H new ATOM 0 HA ASN A 5 -5.611 2.750 24.372 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.922 4.261 26.865 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -5.796 5.144 25.629 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -7.604 1.981 27.619 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.844 2.134 27.573 1.00 0.00 H new ATOM 363 N GLY A 6 -2.860 4.400 24.091 1.00 0.00 N ATOM 364 CA GLY A 6 -2.098 5.269 23.213 1.00 0.00 C ATOM 365 C GLY A 6 -0.928 5.924 23.922 1.00 0.00 C ATOM 366 O GLY A 6 -0.787 7.146 23.896 1.00 0.00 O ATOM 0 H GLY A 6 -2.308 3.918 24.801 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.729 4.691 22.365 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.754 6.041 22.811 1.00 0.00 H new ATOM 370 N VAL A 7 -0.090 5.103 24.555 1.00 0.00 N ATOM 371 CA VAL A 7 1.084 5.588 25.280 1.00 0.00 C ATOM 372 C VAL A 7 0.775 6.858 26.077 1.00 0.00 C ATOM 373 O VAL A 7 -0.385 7.174 26.336 1.00 0.00 O ATOM 374 CB VAL A 7 2.275 5.824 24.316 1.00 0.00 C ATOM 375 CG1 VAL A 7 2.294 7.245 23.759 1.00 0.00 C ATOM 376 CG2 VAL A 7 3.594 5.489 24.999 1.00 0.00 C ATOM 0 H VAL A 7 -0.205 4.090 24.580 1.00 0.00 H new ATOM 0 HA VAL A 7 1.366 4.812 25.992 1.00 0.00 H new ATOM 0 HB VAL A 7 2.142 5.152 23.468 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.146 7.362 23.089 1.00 0.00 H new ATOM 0 HG12 VAL A 7 1.372 7.433 23.209 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.378 7.957 24.580 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.417 5.661 24.305 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.720 6.123 25.877 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.590 4.443 25.304 1.00 0.00 H new ATOM 386 N SER A 8 1.822 7.576 26.460 1.00 0.00 N ATOM 387 CA SER A 8 1.669 8.808 27.227 1.00 0.00 C ATOM 388 C SER A 8 2.709 9.841 26.806 1.00 0.00 C ATOM 389 O SER A 8 3.822 9.492 26.414 1.00 0.00 O ATOM 390 CB SER A 8 1.796 8.521 28.724 1.00 0.00 C ATOM 391 OG SER A 8 0.631 7.885 29.222 1.00 0.00 O ATOM 0 H SER A 8 2.789 7.327 26.252 1.00 0.00 H new ATOM 0 HA SER A 8 0.677 9.212 27.025 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.665 7.888 28.904 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.964 9.453 29.263 1.00 0.00 H new ATOM 0 HG SER A 8 0.851 6.972 29.502 1.00 0.00 H new ATOM 397 N CYS A 9 2.337 11.115 26.887 1.00 0.00 N ATOM 398 CA CYS A 9 3.240 12.197 26.512 1.00 0.00 C ATOM 399 C CYS A 9 4.460 12.232 27.425 1.00 0.00 C ATOM 400 O CYS A 9 4.336 12.399 28.639 1.00 0.00 O ATOM 401 CB CYS A 9 2.513 13.541 26.565 1.00 0.00 C ATOM 402 SG CYS A 9 1.642 13.982 25.025 1.00 0.00 S ATOM 0 H CYS A 9 1.419 11.422 27.208 1.00 0.00 H new ATOM 0 HA CYS A 9 3.577 12.014 25.492 1.00 0.00 H new ATOM 0 HB2 CYS A 9 1.793 13.520 27.383 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.236 14.323 26.797 1.00 0.00 H new ATOM 407 N SER A 10 5.636 12.075 26.831 1.00 0.00 N ATOM 408 CA SER A 10 6.883 12.089 27.582 1.00 0.00 C ATOM 409 C SER A 10 8.073 11.915 26.647 1.00 0.00 C ATOM 410 O SER A 10 8.247 10.860 26.039 1.00 0.00 O ATOM 411 CB SER A 10 6.886 10.986 28.640 1.00 0.00 C ATOM 412 OG SER A 10 6.370 9.774 28.115 1.00 0.00 O ATOM 0 H SER A 10 5.752 11.936 25.827 1.00 0.00 H new ATOM 0 HA SER A 10 6.967 13.054 28.081 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.902 10.826 29.001 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.289 11.298 29.497 1.00 0.00 H new ATOM 0 HG SER A 10 6.729 9.629 27.215 1.00 0.00 H new ATOM 418 N LYS A 11 8.892 12.956 26.540 1.00 0.00 N ATOM 419 CA LYS A 11 10.069 12.917 25.682 1.00 0.00 C ATOM 420 C LYS A 11 9.698 12.680 24.223 1.00 0.00 C ATOM 421 O LYS A 11 10.561 12.393 23.393 1.00 0.00 O ATOM 422 CB LYS A 11 10.994 11.814 26.160 1.00 0.00 C ATOM 423 CG LYS A 11 12.460 12.211 26.197 1.00 0.00 C ATOM 424 CD LYS A 11 12.967 12.607 24.819 1.00 0.00 C ATOM 425 CE LYS A 11 14.379 13.168 24.885 1.00 0.00 C ATOM 426 NZ LYS A 11 14.392 14.653 24.773 1.00 0.00 N ATOM 0 H LYS A 11 8.762 13.837 27.037 1.00 0.00 H new ATOM 0 HA LYS A 11 10.568 13.884 25.742 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.687 11.503 27.159 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.879 10.949 25.507 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.595 13.043 26.888 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.053 11.380 26.579 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.950 11.739 24.160 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.299 13.350 24.384 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.844 12.871 25.825 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.978 12.738 24.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.372 14.996 24.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.971 14.936 23.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.841 15.065 25.553 1.00 0.00 H new ATOM 440 N THR A 12 8.414 12.786 23.916 1.00 0.00 N ATOM 441 CA THR A 12 7.938 12.567 22.563 1.00 0.00 C ATOM 442 C THR A 12 6.690 13.404 22.249 1.00 0.00 C ATOM 443 O THR A 12 6.246 13.451 21.102 1.00 0.00 O ATOM 444 CB THR A 12 7.671 11.070 22.364 1.00 0.00 C ATOM 445 OG1 THR A 12 8.772 10.451 21.723 1.00 0.00 O ATOM 446 CG2 THR A 12 6.436 10.759 21.546 1.00 0.00 C ATOM 0 H THR A 12 7.684 13.023 24.588 1.00 0.00 H new ATOM 0 HA THR A 12 8.708 12.894 21.864 1.00 0.00 H new ATOM 0 HB THR A 12 7.513 10.681 23.370 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.606 10.846 22.052 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.323 9.679 21.455 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.558 11.176 22.040 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.537 11.198 20.554 1.00 0.00 H new ATOM 454 N LYS A 13 6.133 14.071 23.260 1.00 0.00 N ATOM 455 CA LYS A 13 4.950 14.905 23.063 1.00 0.00 C ATOM 456 C LYS A 13 3.818 14.124 22.415 1.00 0.00 C ATOM 457 O LYS A 13 2.952 14.688 21.748 1.00 0.00 O ATOM 458 CB LYS A 13 5.309 16.088 22.192 1.00 0.00 C ATOM 459 CG LYS A 13 4.612 17.380 22.586 1.00 0.00 C ATOM 460 CD LYS A 13 5.245 17.999 23.823 1.00 0.00 C ATOM 461 CE LYS A 13 6.590 18.632 23.502 1.00 0.00 C ATOM 462 NZ LYS A 13 7.504 18.619 24.677 1.00 0.00 N ATOM 0 H LYS A 13 6.481 14.050 24.219 1.00 0.00 H new ATOM 0 HA LYS A 13 4.609 15.246 24.041 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.387 16.242 22.233 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.059 15.853 21.157 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.660 18.088 21.758 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.557 17.182 22.776 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.576 18.753 24.237 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.375 17.234 24.588 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.055 18.096 22.674 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.438 19.660 23.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.410 19.059 24.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.072 19.152 25.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.670 17.637 24.977 1.00 0.00 H new ATOM 476 N CYS A 14 3.851 12.829 22.620 1.00 0.00 N ATOM 477 CA CYS A 14 2.848 11.919 22.071 1.00 0.00 C ATOM 478 C CYS A 14 2.955 11.842 20.552 1.00 0.00 C ATOM 479 O CYS A 14 2.411 12.684 19.837 1.00 0.00 O ATOM 480 CB CYS A 14 1.436 12.359 22.472 1.00 0.00 C ATOM 481 SG CYS A 14 1.077 12.193 24.250 1.00 0.00 S ATOM 0 H CYS A 14 4.572 12.365 23.173 1.00 0.00 H new ATOM 0 HA CYS A 14 3.038 10.929 22.485 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.296 13.400 22.180 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.711 11.770 21.910 1.00 0.00 H new ATOM 486 N SER A 15 3.658 10.825 20.067 1.00 0.00 N ATOM 487 CA SER A 15 3.837 10.634 18.633 1.00 0.00 C ATOM 488 C SER A 15 3.799 9.152 18.275 1.00 0.00 C ATOM 489 O SER A 15 4.276 8.308 19.032 1.00 0.00 O ATOM 490 CB SER A 15 5.162 11.247 18.176 1.00 0.00 C ATOM 491 OG SER A 15 6.247 10.380 18.452 1.00 0.00 O ATOM 0 H SER A 15 4.113 10.120 20.646 1.00 0.00 H new ATOM 0 HA SER A 15 3.017 11.136 18.119 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.121 11.454 17.107 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.318 12.201 18.680 1.00 0.00 H new ATOM 0 HG SER A 15 7.082 10.794 18.149 1.00 0.00 H new ATOM 497 N VAL A 16 3.228 8.842 17.115 1.00 0.00 N ATOM 498 CA VAL A 16 3.130 7.461 16.658 1.00 0.00 C ATOM 499 C VAL A 16 4.273 7.113 15.709 1.00 0.00 C ATOM 500 O VAL A 16 4.076 6.435 14.700 1.00 0.00 O ATOM 501 CB VAL A 16 1.781 7.197 15.956 1.00 0.00 C ATOM 502 CG1 VAL A 16 1.654 8.041 14.696 1.00 0.00 C ATOM 503 CG2 VAL A 16 1.624 5.716 15.637 1.00 0.00 C ATOM 0 H VAL A 16 2.827 9.528 16.475 1.00 0.00 H new ATOM 0 HA VAL A 16 3.197 6.826 17.542 1.00 0.00 H new ATOM 0 HB VAL A 16 0.979 7.485 16.636 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.696 7.839 14.218 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.713 9.097 14.958 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.462 7.792 14.008 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.667 5.550 15.142 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.433 5.398 14.979 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.660 5.139 16.561 1.00 0.00 H new ATOM 513 N ASN A 17 5.473 7.583 16.040 1.00 0.00 N ATOM 514 CA ASN A 17 6.650 7.326 15.220 1.00 0.00 C ATOM 515 C ASN A 17 6.514 7.995 13.857 1.00 0.00 C ATOM 516 O ASN A 17 6.694 7.359 12.818 1.00 0.00 O ATOM 517 CB ASN A 17 6.862 5.820 15.050 1.00 0.00 C ATOM 518 CG ASN A 17 6.755 5.068 16.362 1.00 0.00 C ATOM 519 OD1 ASN A 17 5.731 5.125 17.042 1.00 0.00 O ATOM 520 ND2 ASN A 17 7.816 4.356 16.724 1.00 0.00 N ATOM 0 H ASN A 17 5.654 8.145 16.872 1.00 0.00 H new ATOM 0 HA ASN A 17 7.518 7.748 15.726 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.124 5.429 14.349 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.844 5.642 14.611 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.802 3.828 17.597 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.645 4.337 16.129 1.00 0.00 H new ATOM 527 N TRP A 18 6.192 9.284 13.871 1.00 0.00 N ATOM 528 CA TRP A 18 6.026 10.045 12.639 1.00 0.00 C ATOM 529 C TRP A 18 7.325 10.084 11.836 1.00 0.00 C ATOM 530 O TRP A 18 7.309 10.304 10.625 1.00 0.00 O ATOM 531 CB TRP A 18 5.564 11.468 12.953 1.00 0.00 C ATOM 532 CG TRP A 18 4.939 12.163 11.783 1.00 0.00 C ATOM 533 CD1 TRP A 18 3.632 12.094 11.392 1.00 0.00 C ATOM 534 CD2 TRP A 18 5.592 13.030 10.851 1.00 0.00 C ATOM 535 NE1 TRP A 18 3.434 12.868 10.274 1.00 0.00 N ATOM 536 CE2 TRP A 18 4.622 13.452 9.923 1.00 0.00 C ATOM 537 CE3 TRP A 18 6.904 13.492 10.711 1.00 0.00 C ATOM 538 CZ2 TRP A 18 4.923 14.314 8.870 1.00 0.00 C ATOM 539 CZ3 TRP A 18 7.202 14.347 9.667 1.00 0.00 C ATOM 540 CH2 TRP A 18 6.215 14.750 8.758 1.00 0.00 C ATOM 0 H TRP A 18 6.041 9.824 14.723 1.00 0.00 H new ATOM 0 HA TRP A 18 5.266 9.547 12.037 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.846 11.436 13.773 1.00 0.00 H new ATOM 0 HB3 TRP A 18 6.418 12.051 13.299 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.867 11.516 11.889 1.00 0.00 H new ATOM 0 HE1 TRP A 18 2.547 12.988 9.785 1.00 0.00 H new ATOM 0 HE3 TRP A 18 7.671 13.186 11.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 4.164 14.626 8.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 8.212 14.710 9.550 1.00 0.00 H new ATOM 0 HH2 TRP A 18 6.479 15.419 7.952 1.00 0.00 H new ATOM 551 N GLY A 19 8.447 9.867 12.516 1.00 0.00 N ATOM 552 CA GLY A 19 9.734 9.880 11.847 1.00 0.00 C ATOM 553 C GLY A 19 10.334 8.494 11.738 1.00 0.00 C ATOM 554 O GLY A 19 10.753 8.069 10.659 1.00 0.00 O ATOM 0 H GLY A 19 8.487 9.682 13.518 1.00 0.00 H new ATOM 0 HA2 GLY A 19 9.619 10.304 10.850 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.419 10.529 12.392 1.00 0.00 H new ATOM 558 N GLN A 20 10.367 7.780 12.857 1.00 0.00 N ATOM 559 CA GLN A 20 10.911 6.429 12.877 1.00 0.00 C ATOM 560 C GLN A 20 10.213 5.566 11.837 1.00 0.00 C ATOM 561 O GLN A 20 10.840 5.106 10.883 1.00 0.00 O ATOM 562 CB GLN A 20 10.756 5.810 14.268 1.00 0.00 C ATOM 563 CG GLN A 20 11.947 6.054 15.179 1.00 0.00 C ATOM 564 CD GLN A 20 12.250 4.867 16.073 1.00 0.00 C ATOM 565 OE1 GLN A 20 13.184 4.107 15.818 1.00 0.00 O ATOM 566 NE2 GLN A 20 11.458 4.703 17.126 1.00 0.00 N ATOM 0 H GLN A 20 10.025 8.113 13.758 1.00 0.00 H new ATOM 0 HA GLN A 20 11.973 6.479 12.636 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.860 6.215 14.739 1.00 0.00 H new ATOM 0 HB3 GLN A 20 10.603 4.736 14.163 1.00 0.00 H new ATOM 0 HG2 GLN A 20 12.824 6.280 14.572 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.753 6.930 15.798 1.00 0.00 H new ATOM 0 HE21 GLN A 20 10.696 5.359 17.298 1.00 0.00 H new ATOM 0 HE22 GLN A 20 11.612 3.922 17.763 1.00 0.00 H new ATOM 575 N ALA A 21 8.909 5.356 12.011 1.00 0.00 N ATOM 576 CA ALA A 21 8.154 4.555 11.058 1.00 0.00 C ATOM 577 C ALA A 21 8.087 5.207 9.692 1.00 0.00 C ATOM 578 O ALA A 21 7.589 4.624 8.729 1.00 0.00 O ATOM 579 CB ALA A 21 6.772 4.215 11.577 1.00 0.00 C ATOM 0 H ALA A 21 8.364 5.724 12.790 1.00 0.00 H new ATOM 0 HA ALA A 21 8.697 3.617 10.939 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.242 3.617 10.836 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.861 3.649 12.504 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.218 5.134 11.765 1.00 0.00 H new ATOM 585 N PHE A 22 8.636 6.393 9.611 1.00 0.00 N ATOM 586 CA PHE A 22 8.700 7.118 8.357 1.00 0.00 C ATOM 587 C PHE A 22 9.731 6.426 7.490 1.00 0.00 C ATOM 588 O PHE A 22 9.541 6.230 6.290 1.00 0.00 O ATOM 589 CB PHE A 22 9.081 8.583 8.584 1.00 0.00 C ATOM 590 CG PHE A 22 8.565 9.510 7.520 1.00 0.00 C ATOM 591 CD1 PHE A 22 7.206 9.606 7.266 1.00 0.00 C ATOM 592 CD2 PHE A 22 9.439 10.283 6.774 1.00 0.00 C ATOM 593 CE1 PHE A 22 6.729 10.458 6.289 1.00 0.00 C ATOM 594 CE2 PHE A 22 8.968 11.137 5.796 1.00 0.00 C ATOM 595 CZ PHE A 22 7.611 11.224 5.552 1.00 0.00 C ATOM 0 H PHE A 22 9.050 6.884 10.403 1.00 0.00 H new ATOM 0 HA PHE A 22 7.724 7.118 7.871 1.00 0.00 H new ATOM 0 HB2 PHE A 22 8.696 8.904 9.552 1.00 0.00 H new ATOM 0 HB3 PHE A 22 10.167 8.665 8.630 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.512 9.008 7.838 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.501 10.217 6.959 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.668 10.525 6.102 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.660 11.736 5.223 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.241 11.890 4.786 1.00 0.00 H new ATOM 605 N GLN A 23 10.810 6.010 8.147 1.00 0.00 N ATOM 606 CA GLN A 23 11.877 5.279 7.493 1.00 0.00 C ATOM 607 C GLN A 23 11.444 3.826 7.296 1.00 0.00 C ATOM 608 O GLN A 23 11.968 3.118 6.437 1.00 0.00 O ATOM 609 CB GLN A 23 13.153 5.342 8.339 1.00 0.00 C ATOM 610 CG GLN A 23 14.196 6.304 7.795 1.00 0.00 C ATOM 611 CD GLN A 23 15.602 5.949 8.239 1.00 0.00 C ATOM 612 OE1 GLN A 23 15.951 6.091 9.411 1.00 0.00 O ATOM 613 NE2 GLN A 23 16.419 5.486 7.300 1.00 0.00 N ATOM 0 H GLN A 23 10.964 6.172 9.142 1.00 0.00 H new ATOM 0 HA GLN A 23 12.084 5.729 6.522 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.891 5.639 9.355 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.588 4.344 8.401 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.152 6.305 6.706 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.959 7.316 8.124 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.088 5.384 6.341 1.00 0.00 H new ATOM 0 HE22 GLN A 23 17.378 5.232 7.538 1.00 0.00 H new ATOM 622 N GLU A 24 10.467 3.397 8.103 1.00 0.00 N ATOM 623 CA GLU A 24 9.941 2.040 8.028 1.00 0.00 C ATOM 624 C GLU A 24 9.250 1.803 6.689 1.00 0.00 C ATOM 625 O GLU A 24 9.416 0.753 6.068 1.00 0.00 O ATOM 626 CB GLU A 24 8.955 1.784 9.169 1.00 0.00 C ATOM 627 CG GLU A 24 9.628 1.427 10.484 1.00 0.00 C ATOM 628 CD GLU A 24 8.634 1.228 11.611 1.00 0.00 C ATOM 629 OE1 GLU A 24 7.615 0.539 11.391 1.00 0.00 O ATOM 630 OE2 GLU A 24 8.874 1.761 12.716 1.00 0.00 O ATOM 0 H GLU A 24 10.027 3.977 8.817 1.00 0.00 H new ATOM 0 HA GLU A 24 10.778 1.348 8.119 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.341 2.673 9.314 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.283 0.975 8.883 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.212 0.516 10.354 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.328 2.217 10.756 1.00 0.00 H new ATOM 637 N ARG A 25 8.471 2.789 6.256 1.00 0.00 N ATOM 638 CA ARG A 25 7.746 2.697 4.996 1.00 0.00 C ATOM 639 C ARG A 25 8.703 2.666 3.814 1.00 0.00 C ATOM 640 O ARG A 25 8.422 2.044 2.789 1.00 0.00 O ATOM 641 CB ARG A 25 6.778 3.874 4.858 1.00 0.00 C ATOM 642 CG ARG A 25 5.398 3.597 5.433 1.00 0.00 C ATOM 643 CD ARG A 25 4.346 3.499 4.339 1.00 0.00 C ATOM 644 NE ARG A 25 3.807 4.809 3.980 1.00 0.00 N ATOM 645 CZ ARG A 25 2.868 4.995 3.056 1.00 0.00 C ATOM 646 NH1 ARG A 25 2.361 3.961 2.395 1.00 0.00 N ATOM 647 NH2 ARG A 25 2.433 6.221 2.790 1.00 0.00 N ATOM 0 H ARG A 25 8.326 3.663 6.762 1.00 0.00 H new ATOM 0 HA ARG A 25 7.179 1.766 4.999 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.203 4.744 5.358 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.678 4.130 3.803 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.420 2.668 6.002 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.127 4.391 6.129 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.783 3.032 3.456 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.535 2.852 4.673 1.00 0.00 H new ATOM 0 HE ARG A 25 4.172 5.628 4.466 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.691 3.017 2.594 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.641 4.111 1.688 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.819 7.020 3.294 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.713 6.364 2.082 1.00 0.00 H new ATOM 661 N TYR A 26 9.833 3.338 3.964 1.00 0.00 N ATOM 662 CA TYR A 26 10.838 3.388 2.910 1.00 0.00 C ATOM 663 C TYR A 26 11.435 2.005 2.672 1.00 0.00 C ATOM 664 O TYR A 26 11.550 1.557 1.532 1.00 0.00 O ATOM 665 CB TYR A 26 11.943 4.384 3.267 1.00 0.00 C ATOM 666 CG TYR A 26 11.529 5.835 3.136 1.00 0.00 C ATOM 667 CD1 TYR A 26 10.669 6.249 2.125 1.00 0.00 C ATOM 668 CD2 TYR A 26 12.002 6.792 4.026 1.00 0.00 C ATOM 669 CE1 TYR A 26 10.293 7.574 2.006 1.00 0.00 C ATOM 670 CE2 TYR A 26 11.629 8.118 3.914 1.00 0.00 C ATOM 671 CZ TYR A 26 10.774 8.503 2.903 1.00 0.00 C ATOM 672 OH TYR A 26 10.402 9.823 2.788 1.00 0.00 O ATOM 0 H TYR A 26 10.079 3.858 4.806 1.00 0.00 H new ATOM 0 HA TYR A 26 10.352 3.720 1.993 1.00 0.00 H new ATOM 0 HB2 TYR A 26 12.267 4.200 4.291 1.00 0.00 H new ATOM 0 HB3 TYR A 26 12.804 4.203 2.623 1.00 0.00 H new ATOM 0 HD1 TYR A 26 10.288 5.524 1.421 1.00 0.00 H new ATOM 0 HD2 TYR A 26 12.672 6.494 4.819 1.00 0.00 H new ATOM 0 HE1 TYR A 26 9.626 7.880 1.214 1.00 0.00 H new ATOM 0 HE2 TYR A 26 12.005 8.849 4.615 1.00 0.00 H new ATOM 0 HH TYR A 26 10.017 10.129 3.635 1.00 0.00 H new ATOM 682 N THR A 27 11.807 1.333 3.756 1.00 0.00 N ATOM 683 CA THR A 27 12.387 -0.001 3.663 1.00 0.00 C ATOM 684 C THR A 27 11.398 -0.977 3.037 1.00 0.00 C ATOM 685 O THR A 27 11.788 -1.902 2.325 1.00 0.00 O ATOM 686 CB THR A 27 12.803 -0.497 5.049 1.00 0.00 C ATOM 687 OG1 THR A 27 13.668 0.434 5.676 1.00 0.00 O ATOM 688 CG2 THR A 27 13.513 -1.834 5.018 1.00 0.00 C ATOM 0 H THR A 27 11.717 1.690 4.707 1.00 0.00 H new ATOM 0 HA THR A 27 13.270 0.055 3.026 1.00 0.00 H new ATOM 0 HB THR A 27 11.873 -0.610 5.606 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.146 1.195 6.006 1.00 0.00 H new ATOM 0 HG21 THR A 27 13.780 -2.128 6.033 1.00 0.00 H new ATOM 0 HG22 THR A 27 12.854 -2.586 4.585 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.417 -1.752 4.414 1.00 0.00 H new ATOM 696 N ALA A 28 10.113 -0.763 3.306 1.00 0.00 N ATOM 697 CA ALA A 28 9.068 -1.624 2.767 1.00 0.00 C ATOM 698 C ALA A 28 9.022 -1.543 1.245 1.00 0.00 C ATOM 699 O ALA A 28 8.806 -2.548 0.568 1.00 0.00 O ATOM 700 CB ALA A 28 7.718 -1.245 3.359 1.00 0.00 C ATOM 0 H ALA A 28 9.772 -0.002 3.893 1.00 0.00 H new ATOM 0 HA ALA A 28 9.299 -2.653 3.043 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.945 -1.895 2.949 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.751 -1.359 4.442 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.490 -0.209 3.110 1.00 0.00 H new ATOM 706 N GLY A 29 9.225 -0.342 0.715 1.00 0.00 N ATOM 707 CA GLY A 29 9.202 -0.152 -0.724 1.00 0.00 C ATOM 708 C GLY A 29 10.432 -0.721 -1.406 1.00 0.00 C ATOM 709 O GLY A 29 10.322 -1.436 -2.402 1.00 0.00 O ATOM 0 H GLY A 29 9.405 0.504 1.256 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.311 -0.626 -1.135 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.128 0.913 -0.945 1.00 0.00 H new ATOM 713 N ILE A 30 11.606 -0.401 -0.869 1.00 0.00 N ATOM 714 CA ILE A 30 12.860 -0.885 -1.434 1.00 0.00 C ATOM 715 C ILE A 30 12.890 -2.411 -1.476 1.00 0.00 C ATOM 716 O ILE A 30 13.520 -3.004 -2.349 1.00 0.00 O ATOM 717 CB ILE A 30 14.073 -0.374 -0.631 1.00 0.00 C ATOM 718 CG1 ILE A 30 14.037 1.151 -0.528 1.00 0.00 C ATOM 719 CG2 ILE A 30 15.374 -0.835 -1.278 1.00 0.00 C ATOM 720 CD1 ILE A 30 15.218 1.735 0.216 1.00 0.00 C ATOM 0 H ILE A 30 11.714 0.190 -0.045 1.00 0.00 H new ATOM 0 HA ILE A 30 12.922 -0.497 -2.451 1.00 0.00 H new ATOM 0 HB ILE A 30 14.023 -0.791 0.375 1.00 0.00 H new ATOM 0 HG12 ILE A 30 14.005 1.574 -1.532 1.00 0.00 H new ATOM 0 HG13 ILE A 30 13.117 1.451 -0.026 1.00 0.00 H new ATOM 0 HG21 ILE A 30 16.220 -0.465 -0.698 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.401 -1.924 -1.305 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.433 -0.445 -2.294 1.00 0.00 H new ATOM 0 HD11 ILE A 30 15.126 2.821 0.250 1.00 0.00 H new ATOM 0 HD12 ILE A 30 15.239 1.341 1.232 1.00 0.00 H new ATOM 0 HD13 ILE A 30 16.141 1.465 -0.297 1.00 0.00 H new ATOM 732 N ASN A 31 12.199 -3.039 -0.526 1.00 0.00 N ATOM 733 CA ASN A 31 12.144 -4.496 -0.453 1.00 0.00 C ATOM 734 C ASN A 31 11.768 -5.097 -1.804 1.00 0.00 C ATOM 735 O ASN A 31 12.567 -5.796 -2.427 1.00 0.00 O ATOM 736 CB ASN A 31 11.139 -4.937 0.615 1.00 0.00 C ATOM 737 CG ASN A 31 11.817 -5.447 1.872 1.00 0.00 C ATOM 738 OD1 ASN A 31 12.269 -6.590 1.928 1.00 0.00 O ATOM 739 ND2 ASN A 31 11.892 -4.596 2.890 1.00 0.00 N ATOM 0 H ASN A 31 11.670 -2.561 0.203 1.00 0.00 H new ATOM 0 HA ASN A 31 13.135 -4.858 -0.180 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.492 -4.098 0.870 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.500 -5.720 0.207 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.338 -4.882 3.762 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.504 -3.657 2.800 1.00 0.00 H new ATOM 746 N SER A 32 10.549 -4.812 -2.256 1.00 0.00 N ATOM 747 CA SER A 32 10.076 -5.320 -3.538 1.00 0.00 C ATOM 748 C SER A 32 11.003 -4.872 -4.663 1.00 0.00 C ATOM 749 O SER A 32 11.200 -5.589 -5.644 1.00 0.00 O ATOM 750 CB SER A 32 8.650 -4.834 -3.808 1.00 0.00 C ATOM 751 OG SER A 32 7.704 -5.601 -3.085 1.00 0.00 O ATOM 0 H SER A 32 9.874 -4.234 -1.755 1.00 0.00 H new ATOM 0 HA SER A 32 10.075 -6.409 -3.499 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.561 -3.784 -3.529 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.436 -4.899 -4.875 1.00 0.00 H new ATOM 0 HG SER A 32 6.801 -5.269 -3.273 1.00 0.00 H new ATOM 757 N PHE A 33 11.575 -3.683 -4.505 1.00 0.00 N ATOM 758 CA PHE A 33 12.489 -3.132 -5.495 1.00 0.00 C ATOM 759 C PHE A 33 13.774 -3.956 -5.552 1.00 0.00 C ATOM 760 O PHE A 33 14.364 -4.135 -6.621 1.00 0.00 O ATOM 761 CB PHE A 33 12.796 -1.663 -5.163 1.00 0.00 C ATOM 762 CG PHE A 33 14.185 -1.218 -5.535 1.00 0.00 C ATOM 763 CD1 PHE A 33 14.463 -0.759 -6.813 1.00 0.00 C ATOM 764 CD2 PHE A 33 15.209 -1.261 -4.604 1.00 0.00 C ATOM 765 CE1 PHE A 33 15.739 -0.350 -7.154 1.00 0.00 C ATOM 766 CE2 PHE A 33 16.487 -0.854 -4.940 1.00 0.00 C ATOM 767 CZ PHE A 33 16.752 -0.398 -6.216 1.00 0.00 C ATOM 0 H PHE A 33 11.420 -3.081 -3.696 1.00 0.00 H new ATOM 0 HA PHE A 33 12.017 -3.175 -6.477 1.00 0.00 H new ATOM 0 HB2 PHE A 33 12.074 -1.029 -5.678 1.00 0.00 H new ATOM 0 HB3 PHE A 33 12.652 -1.507 -4.094 1.00 0.00 H new ATOM 0 HD1 PHE A 33 13.675 -0.720 -7.550 1.00 0.00 H new ATOM 0 HD2 PHE A 33 15.007 -1.616 -3.604 1.00 0.00 H new ATOM 0 HE1 PHE A 33 15.944 0.007 -8.153 1.00 0.00 H new ATOM 0 HE2 PHE A 33 17.277 -0.893 -4.205 1.00 0.00 H new ATOM 0 HZ PHE A 33 17.750 -0.079 -6.480 1.00 0.00 H new ATOM 777 N VAL A 34 14.201 -4.462 -4.398 1.00 0.00 N ATOM 778 CA VAL A 34 15.414 -5.266 -4.321 1.00 0.00 C ATOM 779 C VAL A 34 15.348 -6.437 -5.294 1.00 0.00 C ATOM 780 O VAL A 34 16.053 -6.448 -6.300 1.00 0.00 O ATOM 781 CB VAL A 34 15.651 -5.800 -2.893 1.00 0.00 C ATOM 782 CG1 VAL A 34 16.954 -6.583 -2.817 1.00 0.00 C ATOM 783 CG2 VAL A 34 15.650 -4.655 -1.889 1.00 0.00 C ATOM 0 H VAL A 34 13.725 -4.329 -3.506 1.00 0.00 H new ATOM 0 HA VAL A 34 16.247 -4.617 -4.591 1.00 0.00 H new ATOM 0 HB VAL A 34 14.835 -6.478 -2.642 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.100 -6.949 -1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 34 16.912 -7.428 -3.505 1.00 0.00 H new ATOM 0 HG13 VAL A 34 17.785 -5.933 -3.091 1.00 0.00 H new ATOM 0 HG21 VAL A 34 15.818 -5.050 -0.887 1.00 0.00 H new ATOM 0 HG22 VAL A 34 16.443 -3.951 -2.140 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.688 -4.144 -1.921 1.00 0.00 H new ATOM 793 N SER A 35 14.515 -7.426 -4.990 1.00 0.00 N ATOM 794 CA SER A 35 14.390 -8.593 -5.835 1.00 0.00 C ATOM 795 C SER A 35 14.205 -8.224 -7.287 1.00 0.00 C ATOM 796 O SER A 35 14.957 -8.692 -8.140 1.00 0.00 O ATOM 797 CB SER A 35 13.233 -9.486 -5.364 1.00 0.00 C ATOM 798 OG SER A 35 12.546 -10.068 -6.460 1.00 0.00 O ATOM 0 H SER A 35 13.919 -7.437 -4.163 1.00 0.00 H new ATOM 0 HA SER A 35 15.324 -9.149 -5.751 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.620 -10.273 -4.716 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.536 -8.896 -4.768 1.00 0.00 H new ATOM 0 HG SER A 35 11.817 -10.632 -6.127 1.00 0.00 H new ATOM 804 N GLY A 36 13.238 -7.373 -7.575 1.00 0.00 N ATOM 805 CA GLY A 36 13.043 -6.962 -8.952 1.00 0.00 C ATOM 806 C GLY A 36 14.386 -6.877 -9.645 1.00 0.00 C ATOM 807 O GLY A 36 14.568 -7.368 -10.759 1.00 0.00 O ATOM 0 H GLY A 36 12.594 -6.964 -6.898 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.399 -7.674 -9.468 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.541 -5.995 -8.987 1.00 0.00 H new ATOM 811 N VAL A 37 15.339 -6.282 -8.931 1.00 0.00 N ATOM 812 CA VAL A 37 16.696 -6.151 -9.397 1.00 0.00 C ATOM 813 C VAL A 37 17.571 -7.327 -8.950 1.00 0.00 C ATOM 814 O VAL A 37 17.981 -8.160 -9.758 1.00 0.00 O ATOM 815 CB VAL A 37 17.326 -4.831 -8.904 1.00 0.00 C ATOM 816 CG1 VAL A 37 18.733 -4.661 -9.461 1.00 0.00 C ATOM 817 CG2 VAL A 37 16.448 -3.649 -9.287 1.00 0.00 C ATOM 0 H VAL A 37 15.179 -5.878 -8.008 1.00 0.00 H new ATOM 0 HA VAL A 37 16.653 -6.147 -10.486 1.00 0.00 H new ATOM 0 HB VAL A 37 17.397 -4.870 -7.817 1.00 0.00 H new ATOM 0 HG11 VAL A 37 19.157 -3.724 -9.100 1.00 0.00 H new ATOM 0 HG12 VAL A 37 19.357 -5.492 -9.132 1.00 0.00 H new ATOM 0 HG13 VAL A 37 18.694 -4.646 -10.550 1.00 0.00 H new ATOM 0 HG21 VAL A 37 16.906 -2.726 -8.932 1.00 0.00 H new ATOM 0 HG22 VAL A 37 16.344 -3.609 -10.371 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.464 -3.764 -8.832 1.00 0.00 H new ATOM 827 N ALA A 38 17.883 -7.348 -7.650 1.00 0.00 N ATOM 828 CA ALA A 38 18.744 -8.360 -7.059 1.00 0.00 C ATOM 829 C ALA A 38 18.035 -9.657 -6.693 1.00 0.00 C ATOM 830 O ALA A 38 18.209 -10.694 -7.332 1.00 0.00 O ATOM 831 CB ALA A 38 19.430 -7.796 -5.820 1.00 0.00 C ATOM 0 H ALA A 38 17.541 -6.658 -6.981 1.00 0.00 H new ATOM 0 HA ALA A 38 19.470 -8.616 -7.831 1.00 0.00 H new ATOM 0 HB1 ALA A 38 20.074 -8.559 -5.382 1.00 0.00 H new ATOM 0 HB2 ALA A 38 20.031 -6.931 -6.099 1.00 0.00 H new ATOM 0 HB3 ALA A 38 18.676 -7.495 -5.092 1.00 0.00 H new ATOM 837 N SER A 39 17.290 -9.575 -5.601 1.00 0.00 N ATOM 838 CA SER A 39 16.584 -10.707 -5.021 1.00 0.00 C ATOM 839 C SER A 39 15.505 -11.311 -5.930 1.00 0.00 C ATOM 840 O SER A 39 14.752 -12.186 -5.501 1.00 0.00 O ATOM 841 CB SER A 39 16.006 -10.267 -3.680 1.00 0.00 C ATOM 842 OG SER A 39 15.849 -11.368 -2.801 1.00 0.00 O ATOM 0 H SER A 39 17.157 -8.705 -5.085 1.00 0.00 H new ATOM 0 HA SER A 39 17.302 -11.516 -4.887 1.00 0.00 H new ATOM 0 HB2 SER A 39 16.662 -9.526 -3.224 1.00 0.00 H new ATOM 0 HB3 SER A 39 15.041 -9.785 -3.838 1.00 0.00 H new ATOM 0 HG SER A 39 15.442 -12.117 -3.284 1.00 0.00 H new ATOM 848 N GLY A 40 15.428 -10.853 -7.179 1.00 0.00 N ATOM 849 CA GLY A 40 14.433 -11.376 -8.097 1.00 0.00 C ATOM 850 C GLY A 40 15.051 -11.969 -9.349 1.00 0.00 C ATOM 851 O GLY A 40 14.552 -12.957 -9.888 1.00 0.00 O ATOM 0 H GLY A 40 16.035 -10.132 -7.568 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.842 -12.140 -7.591 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.747 -10.577 -8.378 1.00 0.00 H new ATOM 855 N ALA A 41 16.140 -11.365 -9.813 1.00 0.00 N ATOM 856 CA ALA A 41 16.826 -11.836 -11.007 1.00 0.00 C ATOM 857 C ALA A 41 18.188 -11.167 -11.157 1.00 0.00 C ATOM 858 O ALA A 41 18.487 -10.568 -12.192 1.00 0.00 O ATOM 859 CB ALA A 41 15.970 -11.589 -12.239 1.00 0.00 C ATOM 0 H ALA A 41 16.566 -10.547 -9.378 1.00 0.00 H new ATOM 0 HA ALA A 41 16.990 -12.909 -10.905 1.00 0.00 H new ATOM 0 HB1 ALA A 41 16.495 -11.946 -13.125 1.00 0.00 H new ATOM 0 HB2 ALA A 41 15.025 -12.122 -12.138 1.00 0.00 H new ATOM 0 HB3 ALA A 41 15.775 -10.521 -12.339 1.00 0.00 H new ATOM 865 N GLY A 42 19.011 -11.272 -10.119 1.00 0.00 N ATOM 866 CA GLY A 42 20.331 -10.672 -10.154 1.00 0.00 C ATOM 867 C GLY A 42 21.030 -10.730 -8.810 1.00 0.00 C ATOM 868 O GLY A 42 21.392 -9.698 -8.246 1.00 0.00 O ATOM 0 H GLY A 42 18.787 -11.763 -9.253 1.00 0.00 H new ATOM 0 HA2 GLY A 42 20.940 -11.184 -10.899 1.00 0.00 H new ATOM 0 HA3 GLY A 42 20.246 -9.633 -10.471 1.00 0.00 H new ATOM 872 N SER A 43 21.221 -11.940 -8.296 1.00 0.00 N ATOM 873 CA SER A 43 21.880 -12.130 -7.010 1.00 0.00 C ATOM 874 C SER A 43 23.316 -12.613 -7.201 1.00 0.00 C ATOM 875 O SER A 43 23.688 -13.691 -6.734 1.00 0.00 O ATOM 876 CB SER A 43 21.099 -13.130 -6.156 1.00 0.00 C ATOM 877 OG SER A 43 19.702 -12.956 -6.315 1.00 0.00 O ATOM 0 H SER A 43 20.928 -12.805 -8.751 1.00 0.00 H new ATOM 0 HA SER A 43 21.906 -11.169 -6.496 1.00 0.00 H new ATOM 0 HB2 SER A 43 21.376 -14.146 -6.436 1.00 0.00 H new ATOM 0 HB3 SER A 43 21.367 -13.004 -5.107 1.00 0.00 H new ATOM 0 HG SER A 43 19.513 -12.023 -6.549 1.00 0.00 H new ATOM 883 N ILE A 44 24.119 -11.806 -7.888 1.00 0.00 N ATOM 884 CA ILE A 44 25.516 -12.142 -8.142 1.00 0.00 C ATOM 885 C ILE A 44 25.660 -13.582 -8.634 1.00 0.00 C ATOM 886 O ILE A 44 26.191 -14.441 -7.930 1.00 0.00 O ATOM 887 CB ILE A 44 26.366 -11.942 -6.872 1.00 0.00 C ATOM 888 CG1 ILE A 44 26.315 -10.479 -6.426 1.00 0.00 C ATOM 889 CG2 ILE A 44 27.806 -12.378 -7.110 1.00 0.00 C ATOM 890 CD1 ILE A 44 25.046 -10.119 -5.685 1.00 0.00 C ATOM 0 H ILE A 44 23.825 -10.912 -8.280 1.00 0.00 H new ATOM 0 HA ILE A 44 25.876 -11.471 -8.922 1.00 0.00 H new ATOM 0 HB ILE A 44 25.951 -12.564 -6.079 1.00 0.00 H new ATOM 0 HG12 ILE A 44 27.172 -10.273 -5.785 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.410 -9.837 -7.302 1.00 0.00 H new ATOM 0 HG21 ILE A 44 28.387 -12.228 -6.200 1.00 0.00 H new ATOM 0 HG22 ILE A 44 27.826 -13.433 -7.383 1.00 0.00 H new ATOM 0 HG23 ILE A 44 28.237 -11.786 -7.917 1.00 0.00 H new ATOM 0 HD11 ILE A 44 25.078 -9.068 -5.399 1.00 0.00 H new ATOM 0 HD12 ILE A 44 24.186 -10.294 -6.331 1.00 0.00 H new ATOM 0 HD13 ILE A 44 24.959 -10.736 -4.791 1.00 0.00 H new ATOM 902 N GLY A 45 25.182 -13.837 -9.848 1.00 0.00 N ATOM 903 CA GLY A 45 25.267 -15.170 -10.414 1.00 0.00 C ATOM 904 C GLY A 45 26.176 -15.228 -11.626 1.00 0.00 C ATOM 905 O GLY A 45 26.791 -16.259 -11.900 1.00 0.00 O ATOM 0 H GLY A 45 24.737 -13.144 -10.450 1.00 0.00 H new ATOM 0 HA2 GLY A 45 25.634 -15.861 -9.655 1.00 0.00 H new ATOM 0 HA3 GLY A 45 24.269 -15.506 -10.696 1.00 0.00 H new ATOM 909 N ARG A 46 26.262 -14.120 -12.354 1.00 0.00 N ATOM 910 CA ARG A 46 27.102 -14.049 -13.544 1.00 0.00 C ATOM 911 C ARG A 46 26.660 -15.073 -14.585 1.00 0.00 C ATOM 912 O ARG A 46 25.549 -15.622 -14.436 1.00 0.00 O ATOM 913 CB ARG A 46 28.568 -14.281 -13.173 1.00 0.00 C ATOM 914 CG ARG A 46 29.258 -13.046 -12.617 1.00 0.00 C ATOM 915 CD ARG A 46 29.596 -12.054 -13.718 1.00 0.00 C ATOM 916 NE ARG A 46 30.461 -10.978 -13.239 1.00 0.00 N ATOM 917 CZ ARG A 46 30.635 -9.826 -13.882 1.00 0.00 C ATOM 918 NH1 ARG A 46 30.007 -9.595 -15.028 1.00 0.00 N ATOM 919 NH2 ARG A 46 31.440 -8.900 -13.376 1.00 0.00 N ATOM 920 OXT ARG A 46 27.429 -15.315 -15.538 1.00 0.00 O ATOM 0 H ARG A 46 25.760 -13.258 -12.141 1.00 0.00 H new ATOM 0 HA ARG A 46 26.996 -13.053 -13.974 1.00 0.00 H new ATOM 0 HB2 ARG A 46 28.625 -15.082 -12.436 1.00 0.00 H new ATOM 0 HB3 ARG A 46 29.108 -14.622 -14.056 1.00 0.00 H new ATOM 0 HG2 ARG A 46 28.612 -12.568 -11.880 1.00 0.00 H new ATOM 0 HG3 ARG A 46 30.170 -13.340 -12.098 1.00 0.00 H new ATOM 0 HD2 ARG A 46 30.088 -12.577 -14.538 1.00 0.00 H new ATOM 0 HD3 ARG A 46 28.676 -11.628 -14.118 1.00 0.00 H new ATOM 0 HE ARG A 46 30.960 -11.118 -12.361 1.00 0.00 H new ATOM 0 HH11 ARG A 46 29.386 -10.303 -15.421 1.00 0.00 H new ATOM 0 HH12 ARG A 46 30.145 -8.710 -15.516 1.00 0.00 H new ATOM 0 HH21 ARG A 46 31.925 -9.072 -12.495 1.00 0.00 H new ATOM 0 HH22 ARG A 46 31.574 -8.017 -13.868 1.00 0.00 H new TER 934 ARG A 46