USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 481 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 1 MET CE :methyl -168:sc=-0.00231 (180deg=-0.178) USER MOD Single : A 1 MET N :NH3+ -118:sc= 0.141 (180deg=-0.056) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 8:sc= 0.223 USER MOD Single : A 11 SER OG : rot -2:sc= 0.321 USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 24 THR OG1 : rot -111:sc= 0.865 USER MOD Single : A 27 TYR OH : rot 30:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0182 USER MOD Single : A 29 SER OG : rot 155:sc= -1 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot -78:sc= 1.02 USER MOD Single : A 42 SER OG : rot 67:sc= 0.836 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -4.2! C(o=-4.2!,f=-7.5!) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0125 USER MOD Single : A 58 ASN : amide:sc= -1.96! C(o=-2!,f=-9.5!) USER MOD Single : A 61 SER OG : rot 130:sc= 0.00251 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0.117 X(o=0.12,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.078) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.719 -8.049 -15.546 1.00 0.00 N ATOM 2 CA MET A 1 -2.061 -7.042 -14.523 1.00 0.00 C ATOM 3 C MET A 1 -1.622 -7.522 -13.152 1.00 0.00 C ATOM 4 O MET A 1 -1.314 -8.699 -12.975 1.00 0.00 O ATOM 5 CB MET A 1 -3.566 -6.745 -14.527 1.00 0.00 C ATOM 6 CG MET A 1 -4.056 -6.065 -15.801 1.00 0.00 C ATOM 7 SD MET A 1 -5.818 -5.677 -15.766 1.00 0.00 S ATOM 8 CE MET A 1 -6.534 -7.316 -15.863 1.00 0.00 C ATOM 0 H1 MET A 1 -1.049 -7.638 -16.227 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.284 -8.875 -15.088 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.582 -8.344 -16.045 1.00 0.00 H new ATOM 0 HA MET A 1 -1.533 -6.118 -14.761 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.111 -7.679 -14.392 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.804 -6.111 -13.673 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.491 -5.146 -15.955 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.850 -6.712 -16.653 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.602 -7.235 -16.065 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.054 -7.876 -16.666 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.382 -7.836 -14.917 1.00 0.00 H new ATOM 18 N GLY A 2 -1.600 -6.615 -12.186 1.00 0.00 N ATOM 19 CA GLY A 2 -1.141 -6.959 -10.858 1.00 0.00 C ATOM 20 C GLY A 2 -2.235 -7.474 -9.941 1.00 0.00 C ATOM 21 O GLY A 2 -2.664 -8.630 -10.055 1.00 0.00 O ATOM 0 H GLY A 2 -1.893 -5.645 -12.300 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -0.362 -7.717 -10.939 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -0.684 -6.080 -10.404 1.00 0.00 H new ATOM 25 N LYS A 3 -2.710 -6.610 -9.059 1.00 0.00 N ATOM 26 CA LYS A 3 -3.675 -6.992 -8.035 1.00 0.00 C ATOM 27 C LYS A 3 -4.285 -5.737 -7.412 1.00 0.00 C ATOM 28 O LYS A 3 -3.600 -4.725 -7.244 1.00 0.00 O ATOM 29 CB LYS A 3 -2.949 -7.796 -6.951 1.00 0.00 C ATOM 30 CG LYS A 3 -3.848 -8.379 -5.868 1.00 0.00 C ATOM 31 CD LYS A 3 -3.020 -9.000 -4.750 1.00 0.00 C ATOM 32 CE LYS A 3 -2.168 -10.158 -5.250 1.00 0.00 C ATOM 33 NZ LYS A 3 -1.284 -10.697 -4.186 1.00 0.00 N ATOM 0 H LYS A 3 -2.440 -5.627 -9.030 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.468 -7.594 -8.479 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.405 -8.611 -7.428 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.207 -7.152 -6.478 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.488 -7.596 -5.460 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.504 -9.133 -6.302 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.376 -8.239 -4.310 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.683 -9.352 -3.960 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.817 -10.952 -5.620 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.561 -9.825 -6.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.721 -11.484 -4.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.647 -9.946 -3.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.864 -11.039 -3.393 1.00 0.00 H new ATOM 47 N ALA A 4 -5.571 -5.801 -7.081 1.00 0.00 N ATOM 48 CA ALA A 4 -6.267 -4.669 -6.479 1.00 0.00 C ATOM 49 C ALA A 4 -7.401 -5.148 -5.584 1.00 0.00 C ATOM 50 O ALA A 4 -8.396 -5.682 -6.069 1.00 0.00 O ATOM 51 CB ALA A 4 -6.810 -3.751 -7.565 1.00 0.00 C ATOM 0 H ALA A 4 -6.153 -6.627 -7.220 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.556 -4.114 -5.867 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -7.328 -2.909 -7.105 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.985 -3.381 -8.174 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -7.506 -4.305 -8.195 1.00 0.00 H new ATOM 57 N TYR A 5 -7.243 -4.978 -4.281 1.00 0.00 N ATOM 58 CA TYR A 5 -8.274 -5.384 -3.340 1.00 0.00 C ATOM 59 C TYR A 5 -8.818 -4.198 -2.550 1.00 0.00 C ATOM 60 O TYR A 5 -8.066 -3.426 -1.933 1.00 0.00 O ATOM 61 CB TYR A 5 -7.768 -6.481 -2.384 1.00 0.00 C ATOM 62 CG TYR A 5 -8.790 -6.893 -1.331 1.00 0.00 C ATOM 63 CD1 TYR A 5 -9.919 -7.631 -1.678 1.00 0.00 C ATOM 64 CD2 TYR A 5 -8.628 -6.540 0.005 1.00 0.00 C ATOM 65 CE1 TYR A 5 -10.859 -7.995 -0.724 1.00 0.00 C ATOM 66 CE2 TYR A 5 -9.561 -6.907 0.965 1.00 0.00 C ATOM 67 CZ TYR A 5 -10.673 -7.634 0.596 1.00 0.00 C ATOM 68 OH TYR A 5 -11.608 -7.991 1.548 1.00 0.00 O ATOM 0 H TYR A 5 -6.415 -4.564 -3.853 1.00 0.00 H new ATOM 0 HA TYR A 5 -9.092 -5.798 -3.930 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.486 -7.358 -2.967 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.866 -6.128 -1.884 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -10.065 -7.925 -2.707 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -7.760 -5.970 0.301 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -11.733 -8.559 -1.013 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -9.416 -6.624 1.997 1.00 0.00 H new ATOM 0 HH TYR A 5 -11.324 -7.660 2.426 1.00 0.00 H new ATOM 78 N TYR A 6 -10.120 -4.045 -2.583 1.00 0.00 N ATOM 79 CA TYR A 6 -10.772 -3.027 -1.810 1.00 0.00 C ATOM 80 C TYR A 6 -11.732 -3.673 -0.823 1.00 0.00 C ATOM 81 O TYR A 6 -12.453 -4.609 -1.162 1.00 0.00 O ATOM 82 CB TYR A 6 -11.480 -1.987 -2.710 1.00 0.00 C ATOM 83 CG TYR A 6 -12.487 -2.561 -3.682 1.00 0.00 C ATOM 84 CD1 TYR A 6 -12.115 -2.906 -4.974 1.00 0.00 C ATOM 85 CD2 TYR A 6 -13.813 -2.746 -3.313 1.00 0.00 C ATOM 86 CE1 TYR A 6 -13.036 -3.411 -5.869 1.00 0.00 C ATOM 87 CE2 TYR A 6 -14.734 -3.253 -4.202 1.00 0.00 C ATOM 88 CZ TYR A 6 -14.340 -3.590 -5.477 1.00 0.00 C ATOM 89 OH TYR A 6 -15.260 -4.090 -6.369 1.00 0.00 O ATOM 0 H TYR A 6 -10.749 -4.620 -3.143 1.00 0.00 H new ATOM 0 HA TYR A 6 -10.017 -2.477 -1.249 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -11.986 -1.262 -2.072 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -10.723 -1.442 -3.274 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -11.088 -2.777 -5.284 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -14.127 -2.488 -2.312 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -12.732 -3.665 -6.874 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -15.762 -3.386 -3.900 1.00 0.00 H new ATOM 0 HH TYR A 6 -14.801 -4.376 -7.186 1.00 0.00 H new ATOM 99 N ASP A 7 -11.713 -3.186 0.389 1.00 0.00 N ATOM 100 CA ASP A 7 -12.527 -3.721 1.456 1.00 0.00 C ATOM 101 C ASP A 7 -13.872 -3.003 1.509 1.00 0.00 C ATOM 102 O ASP A 7 -13.940 -1.798 1.760 1.00 0.00 O ATOM 103 CB ASP A 7 -11.767 -3.596 2.784 1.00 0.00 C ATOM 104 CG ASP A 7 -12.598 -3.941 3.995 1.00 0.00 C ATOM 105 OD1 ASP A 7 -13.122 -5.071 4.065 1.00 0.00 O ATOM 106 OD2 ASP A 7 -12.685 -3.090 4.911 1.00 0.00 O ATOM 0 H ASP A 7 -11.128 -2.399 0.670 1.00 0.00 H new ATOM 0 HA ASP A 7 -12.729 -4.776 1.272 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -10.894 -4.249 2.756 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -11.398 -2.575 2.886 1.00 0.00 H new ATOM 111 N ILE A 8 -14.930 -3.742 1.243 1.00 0.00 N ATOM 112 CA ILE A 8 -16.266 -3.179 1.216 1.00 0.00 C ATOM 113 C ILE A 8 -16.973 -3.333 2.547 1.00 0.00 C ATOM 114 O ILE A 8 -16.808 -4.335 3.246 1.00 0.00 O ATOM 115 CB ILE A 8 -17.165 -3.770 0.090 1.00 0.00 C ATOM 116 CG1 ILE A 8 -17.236 -5.319 0.145 1.00 0.00 C ATOM 117 CG2 ILE A 8 -16.706 -3.292 -1.276 1.00 0.00 C ATOM 118 CD1 ILE A 8 -16.065 -6.049 -0.513 1.00 0.00 C ATOM 0 H ILE A 8 -14.890 -4.741 1.041 1.00 0.00 H new ATOM 0 HA ILE A 8 -16.117 -2.120 1.004 1.00 0.00 H new ATOM 0 HB ILE A 8 -18.176 -3.401 0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -17.295 -5.627 1.189 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -18.160 -5.641 -0.335 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -17.349 -3.718 -2.046 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -16.761 -2.204 -1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -15.677 -3.610 -1.446 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -16.209 -7.125 -0.421 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -16.014 -5.779 -1.568 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -15.135 -5.764 -0.020 1.00 0.00 H new ATOM 130 N VAL A 9 -17.755 -2.330 2.888 1.00 0.00 N ATOM 131 CA VAL A 9 -18.530 -2.332 4.106 1.00 0.00 C ATOM 132 C VAL A 9 -19.995 -2.518 3.744 1.00 0.00 C ATOM 133 O VAL A 9 -20.511 -1.832 2.858 1.00 0.00 O ATOM 134 CB VAL A 9 -18.353 -1.002 4.882 1.00 0.00 C ATOM 135 CG1 VAL A 9 -19.145 -1.020 6.182 1.00 0.00 C ATOM 136 CG2 VAL A 9 -16.876 -0.728 5.149 1.00 0.00 C ATOM 0 H VAL A 9 -17.870 -1.488 2.324 1.00 0.00 H new ATOM 0 HA VAL A 9 -18.186 -3.144 4.746 1.00 0.00 H new ATOM 0 HB VAL A 9 -18.744 -0.194 4.264 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -19.004 -0.075 6.707 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -20.204 -1.158 5.961 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -18.796 -1.840 6.810 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -16.773 0.210 5.695 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -16.457 -1.541 5.742 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -16.342 -0.657 4.201 1.00 0.00 H new ATOM 146 N GLY A 10 -20.667 -3.428 4.420 1.00 0.00 N ATOM 147 CA GLY A 10 -22.027 -3.729 4.057 1.00 0.00 C ATOM 148 C GLY A 10 -23.038 -3.281 5.084 1.00 0.00 C ATOM 149 O GLY A 10 -23.050 -3.762 6.221 1.00 0.00 O ATOM 0 H GLY A 10 -20.298 -3.960 5.208 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -22.254 -3.252 3.103 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -22.125 -4.804 3.907 1.00 0.00 H new ATOM 153 N SER A 11 -23.867 -2.334 4.684 1.00 0.00 N ATOM 154 CA SER A 11 -24.954 -1.830 5.498 1.00 0.00 C ATOM 155 C SER A 11 -26.056 -1.295 4.576 1.00 0.00 C ATOM 156 O SER A 11 -25.783 -0.515 3.671 1.00 0.00 O ATOM 157 CB SER A 11 -24.456 -0.731 6.456 1.00 0.00 C ATOM 158 OG SER A 11 -23.445 -1.229 7.330 1.00 0.00 O ATOM 0 H SER A 11 -23.801 -1.887 3.769 1.00 0.00 H new ATOM 0 HA SER A 11 -25.355 -2.638 6.110 1.00 0.00 H new ATOM 0 HB2 SER A 11 -24.062 0.106 5.880 1.00 0.00 H new ATOM 0 HB3 SER A 11 -25.292 -0.350 7.042 1.00 0.00 H new ATOM 0 HG SER A 11 -23.299 -2.182 7.152 1.00 0.00 H new ATOM 164 N ASP A 12 -27.285 -1.729 4.802 1.00 0.00 N ATOM 165 CA ASP A 12 -28.423 -1.346 3.959 1.00 0.00 C ATOM 166 C ASP A 12 -28.810 0.111 4.125 1.00 0.00 C ATOM 167 O ASP A 12 -29.622 0.609 3.391 1.00 0.00 O ATOM 168 CB ASP A 12 -29.629 -2.239 4.252 1.00 0.00 C ATOM 169 CG ASP A 12 -30.247 -1.960 5.610 1.00 0.00 C ATOM 170 OD1 ASP A 12 -29.587 -2.243 6.637 1.00 0.00 O ATOM 171 OD2 ASP A 12 -31.389 -1.455 5.658 1.00 0.00 O ATOM 0 H ASP A 12 -27.529 -2.354 5.570 1.00 0.00 H new ATOM 0 HA ASP A 12 -28.106 -1.482 2.925 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -30.382 -2.092 3.477 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -29.323 -3.284 4.204 1.00 0.00 H new ATOM 176 N ASN A 13 -28.268 0.782 5.094 1.00 0.00 N ATOM 177 CA ASN A 13 -28.560 2.197 5.225 1.00 0.00 C ATOM 178 C ASN A 13 -27.350 3.022 4.810 1.00 0.00 C ATOM 179 O ASN A 13 -27.483 4.135 4.294 1.00 0.00 O ATOM 180 CB ASN A 13 -28.924 2.532 6.663 1.00 0.00 C ATOM 181 CG ASN A 13 -29.367 3.982 6.840 1.00 0.00 C ATOM 182 OD1 ASN A 13 -29.964 4.579 5.945 1.00 0.00 O ATOM 183 ND2 ASN A 13 -29.068 4.553 7.990 1.00 0.00 N ATOM 0 H ASN A 13 -27.636 0.396 5.795 1.00 0.00 H new ATOM 0 HA ASN A 13 -29.403 2.434 4.576 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -29.724 1.870 6.994 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -28.064 2.339 7.305 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -29.333 5.523 8.162 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -28.572 4.025 8.708 1.00 0.00 H new ATOM 190 N ARG A 14 -26.171 2.445 4.997 1.00 0.00 N ATOM 191 CA ARG A 14 -24.919 3.129 4.717 1.00 0.00 C ATOM 192 C ARG A 14 -23.976 2.184 4.006 1.00 0.00 C ATOM 193 O ARG A 14 -23.348 1.341 4.642 1.00 0.00 O ATOM 194 CB ARG A 14 -24.250 3.582 6.027 1.00 0.00 C ATOM 195 CG ARG A 14 -25.145 4.379 6.957 1.00 0.00 C ATOM 196 CD ARG A 14 -25.565 5.711 6.357 1.00 0.00 C ATOM 197 NE ARG A 14 -24.449 6.645 6.233 1.00 0.00 N ATOM 198 CZ ARG A 14 -23.998 7.410 7.232 1.00 0.00 C ATOM 199 NH1 ARG A 14 -24.428 7.220 8.472 1.00 0.00 N ATOM 200 NH2 ARG A 14 -23.104 8.352 6.983 1.00 0.00 N ATOM 0 H ARG A 14 -26.057 1.493 5.346 1.00 0.00 H new ATOM 0 HA ARG A 14 -25.133 3.998 4.095 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -23.891 2.701 6.558 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -23.376 4.185 5.782 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -26.034 3.793 7.192 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -24.622 4.556 7.897 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -26.003 5.541 5.374 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -26.341 6.157 6.979 1.00 0.00 H new ATOM 0 HE ARG A 14 -23.985 6.718 5.328 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -25.108 6.486 8.669 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -24.079 7.808 9.229 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -22.762 8.492 6.032 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -22.756 8.939 7.742 1.00 0.00 H new ATOM 214 N TRP A 15 -23.872 2.301 2.719 1.00 0.00 N ATOM 215 CA TRP A 15 -23.002 1.427 1.992 1.00 0.00 C ATOM 216 C TRP A 15 -21.721 2.163 1.656 1.00 0.00 C ATOM 217 O TRP A 15 -21.745 3.244 1.073 1.00 0.00 O ATOM 218 CB TRP A 15 -23.720 0.887 0.755 1.00 0.00 C ATOM 219 CG TRP A 15 -22.965 -0.217 0.087 1.00 0.00 C ATOM 220 CD1 TRP A 15 -22.823 -1.494 0.538 1.00 0.00 C ATOM 221 CD2 TRP A 15 -22.255 -0.147 -1.139 1.00 0.00 C ATOM 222 NE1 TRP A 15 -22.046 -2.216 -0.323 1.00 0.00 N ATOM 223 CE2 TRP A 15 -21.685 -1.412 -1.364 1.00 0.00 C ATOM 224 CE3 TRP A 15 -22.038 0.866 -2.068 1.00 0.00 C ATOM 225 CZ2 TRP A 15 -20.918 -1.691 -2.481 1.00 0.00 C ATOM 226 CZ3 TRP A 15 -21.280 0.590 -3.173 1.00 0.00 C ATOM 227 CH2 TRP A 15 -20.723 -0.681 -3.373 1.00 0.00 C ATOM 0 H TRP A 15 -24.373 2.986 2.153 1.00 0.00 H new ATOM 0 HA TRP A 15 -22.732 0.563 2.600 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -24.707 0.525 1.042 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -23.872 1.699 0.045 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -23.262 -1.881 1.446 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -21.780 -3.194 -0.207 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -22.459 1.849 -1.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -20.491 -2.670 -2.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -21.108 1.365 -3.905 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -20.126 -0.863 -4.254 1.00 0.00 H new ATOM 238 N GLY A 16 -20.598 1.566 2.028 1.00 0.00 N ATOM 239 CA GLY A 16 -19.331 2.230 1.869 1.00 0.00 C ATOM 240 C GLY A 16 -18.256 1.339 1.273 1.00 0.00 C ATOM 241 O GLY A 16 -18.176 0.148 1.586 1.00 0.00 O ATOM 0 H GLY A 16 -20.547 0.633 2.437 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -19.464 3.103 1.231 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -18.995 2.593 2.840 1.00 0.00 H new ATOM 245 N ILE A 17 -17.442 1.919 0.414 1.00 0.00 N ATOM 246 CA ILE A 17 -16.356 1.205 -0.249 1.00 0.00 C ATOM 247 C ILE A 17 -15.027 1.786 0.204 1.00 0.00 C ATOM 248 O ILE A 17 -14.807 2.988 0.074 1.00 0.00 O ATOM 249 CB ILE A 17 -16.465 1.388 -1.777 1.00 0.00 C ATOM 250 CG1 ILE A 17 -17.848 0.979 -2.242 1.00 0.00 C ATOM 251 CG2 ILE A 17 -15.405 0.551 -2.495 1.00 0.00 C ATOM 252 CD1 ILE A 17 -18.265 1.634 -3.524 1.00 0.00 C ATOM 0 H ILE A 17 -17.511 2.902 0.151 1.00 0.00 H new ATOM 0 HA ILE A 17 -16.420 0.147 0.005 1.00 0.00 H new ATOM 0 HB ILE A 17 -16.298 2.438 -2.017 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -17.874 -0.103 -2.371 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -18.572 1.225 -1.465 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -15.497 0.693 -3.572 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -14.413 0.865 -2.171 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -15.549 -0.502 -2.254 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -19.264 1.296 -3.797 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -18.271 2.716 -3.394 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -17.563 1.367 -4.314 1.00 0.00 H new ATOM 264 N ARG A 18 -14.150 0.955 0.729 1.00 0.00 N ATOM 265 CA ARG A 18 -12.844 1.422 1.169 1.00 0.00 C ATOM 266 C ARG A 18 -11.731 0.712 0.431 1.00 0.00 C ATOM 267 O ARG A 18 -11.629 -0.506 0.491 1.00 0.00 O ATOM 268 CB ARG A 18 -12.655 1.182 2.675 1.00 0.00 C ATOM 269 CG ARG A 18 -11.303 1.666 3.209 1.00 0.00 C ATOM 270 CD ARG A 18 -11.103 1.298 4.680 1.00 0.00 C ATOM 271 NE ARG A 18 -11.039 -0.160 4.879 1.00 0.00 N ATOM 272 CZ ARG A 18 -9.904 -0.892 4.900 1.00 0.00 C ATOM 273 NH1 ARG A 18 -8.709 -0.308 4.800 1.00 0.00 N ATOM 274 NH2 ARG A 18 -9.977 -2.207 5.039 1.00 0.00 N ATOM 0 H ARG A 18 -14.313 -0.043 0.863 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.800 2.490 0.955 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.453 1.689 3.218 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.757 0.116 2.880 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.501 1.230 2.614 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.234 2.748 3.093 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.184 1.755 5.046 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.921 1.709 5.271 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.921 -0.656 5.011 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.643 0.706 4.706 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.861 -0.875 4.818 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.886 -2.661 5.129 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.124 -2.766 5.056 1.00 0.00 H new ATOM 288 N HIS A 19 -10.901 1.448 -0.271 1.00 0.00 N ATOM 289 CA HIS A 19 -9.721 0.830 -0.832 1.00 0.00 C ATOM 290 C HIS A 19 -8.780 0.643 0.308 1.00 0.00 C ATOM 291 O HIS A 19 -8.459 1.610 0.995 1.00 0.00 O ATOM 292 CB HIS A 19 -9.076 1.684 -1.932 1.00 0.00 C ATOM 293 CG HIS A 19 -8.000 0.944 -2.687 1.00 0.00 C ATOM 294 ND1 HIS A 19 -6.670 0.935 -2.309 1.00 0.00 N ATOM 295 CD2 HIS A 19 -8.080 0.160 -3.791 1.00 0.00 C ATOM 296 CE1 HIS A 19 -5.982 0.175 -3.139 1.00 0.00 C ATOM 297 NE2 HIS A 19 -6.811 -0.307 -4.051 1.00 0.00 N ATOM 0 H HIS A 19 -11.013 2.443 -0.464 1.00 0.00 H new ATOM 0 HA HIS A 19 -9.980 -0.114 -1.312 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -9.846 2.011 -2.631 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -8.649 2.582 -1.486 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.972 -0.057 -4.360 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -4.921 -0.021 -3.084 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -6.552 -0.924 -4.821 1.00 0.00 H new ATOM 305 N ASP A 20 -8.346 -0.582 0.541 1.00 0.00 N ATOM 306 CA ASP A 20 -7.547 -0.837 1.719 1.00 0.00 C ATOM 307 C ASP A 20 -6.224 -0.127 1.607 1.00 0.00 C ATOM 308 O ASP A 20 -5.441 -0.377 0.678 1.00 0.00 O ATOM 309 CB ASP A 20 -7.352 -2.329 1.978 1.00 0.00 C ATOM 310 CG ASP A 20 -7.066 -2.599 3.445 1.00 0.00 C ATOM 311 OD1 ASP A 20 -6.508 -1.716 4.115 1.00 0.00 O ATOM 312 OD2 ASP A 20 -7.455 -3.675 3.938 1.00 0.00 O ATOM 0 H ASP A 20 -8.527 -1.392 -0.051 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.089 -0.443 2.579 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.246 -2.874 1.673 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.528 -2.702 1.370 1.00 0.00 H new ATOM 317 N ASP A 21 -5.991 0.781 2.535 1.00 0.00 N ATOM 318 CA ASP A 21 -4.815 1.611 2.520 1.00 0.00 C ATOM 319 C ASP A 21 -3.649 0.938 3.225 1.00 0.00 C ATOM 320 O ASP A 21 -2.527 1.455 3.221 1.00 0.00 O ATOM 321 CB ASP A 21 -5.126 2.996 3.119 1.00 0.00 C ATOM 322 CG ASP A 21 -5.653 2.952 4.555 1.00 0.00 C ATOM 323 OD1 ASP A 21 -6.710 2.306 4.790 1.00 0.00 O ATOM 324 OD2 ASP A 21 -5.029 3.600 5.443 1.00 0.00 O ATOM 0 H ASP A 21 -6.617 0.960 3.320 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.513 1.756 1.483 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.221 3.602 3.094 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.862 3.496 2.489 1.00 0.00 H new ATOM 329 N ASP A 22 -3.907 -0.214 3.820 1.00 0.00 N ATOM 330 CA ASP A 22 -2.858 -1.029 4.410 1.00 0.00 C ATOM 331 C ASP A 22 -3.078 -2.485 4.021 1.00 0.00 C ATOM 332 O ASP A 22 -4.013 -3.116 4.491 1.00 0.00 O ATOM 333 CB ASP A 22 -2.802 -0.883 5.928 1.00 0.00 C ATOM 334 CG ASP A 22 -1.583 -1.569 6.510 1.00 0.00 C ATOM 335 OD1 ASP A 22 -0.442 -1.159 6.172 1.00 0.00 O ATOM 336 OD2 ASP A 22 -1.747 -2.505 7.316 1.00 0.00 O ATOM 0 H ASP A 22 -4.843 -0.609 3.908 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.899 -0.683 4.025 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.786 0.174 6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -3.704 -1.308 6.368 1.00 0.00 H new ATOM 341 N PRO A 23 -2.219 -3.027 3.131 1.00 0.00 N ATOM 342 CA PRO A 23 -2.368 -4.385 2.604 1.00 0.00 C ATOM 343 C PRO A 23 -2.628 -5.429 3.686 1.00 0.00 C ATOM 344 O PRO A 23 -1.748 -5.755 4.487 1.00 0.00 O ATOM 345 CB PRO A 23 -1.027 -4.650 1.919 1.00 0.00 C ATOM 346 CG PRO A 23 -0.536 -3.301 1.527 1.00 0.00 C ATOM 347 CD PRO A 23 -1.034 -2.348 2.578 1.00 0.00 C ATOM 0 HA PRO A 23 -3.230 -4.460 1.942 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -0.328 -5.146 2.593 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.146 -5.297 1.050 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.552 -3.284 1.472 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -0.909 -3.023 0.542 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.281 -2.169 3.345 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.291 -1.379 2.151 1.00 0.00 H new ATOM 355 N THR A 24 -3.845 -5.947 3.695 1.00 0.00 N ATOM 356 CA THR A 24 -4.243 -6.968 4.623 1.00 0.00 C ATOM 357 C THR A 24 -3.924 -8.349 4.053 1.00 0.00 C ATOM 358 O THR A 24 -3.855 -9.341 4.783 1.00 0.00 O ATOM 359 CB THR A 24 -5.743 -6.825 4.943 1.00 0.00 C ATOM 360 OG1 THR A 24 -6.443 -6.365 3.769 1.00 0.00 O ATOM 361 CG2 THR A 24 -5.961 -5.845 6.092 1.00 0.00 C ATOM 0 H THR A 24 -4.582 -5.662 3.050 1.00 0.00 H new ATOM 0 HA THR A 24 -3.685 -6.853 5.552 1.00 0.00 H new ATOM 0 HB THR A 24 -6.130 -7.798 5.244 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.753 -5.446 3.912 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.028 -5.760 6.300 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.445 -6.207 6.982 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.566 -4.867 5.816 1.00 0.00 H new ATOM 369 N GLY A 25 -3.724 -8.394 2.738 1.00 0.00 N ATOM 370 CA GLY A 25 -3.304 -9.612 2.061 1.00 0.00 C ATOM 371 C GLY A 25 -4.404 -10.636 1.860 1.00 0.00 C ATOM 372 O GLY A 25 -4.530 -11.202 0.780 1.00 0.00 O ATOM 0 H GLY A 25 -3.848 -7.593 2.119 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.891 -9.347 1.088 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.499 -10.071 2.635 1.00 0.00 H new ATOM 376 N ASP A 26 -5.189 -10.874 2.883 1.00 0.00 N ATOM 377 CA ASP A 26 -6.225 -11.895 2.830 1.00 0.00 C ATOM 378 C ASP A 26 -7.457 -11.469 2.052 1.00 0.00 C ATOM 379 O ASP A 26 -8.056 -10.429 2.320 1.00 0.00 O ATOM 380 CB ASP A 26 -6.624 -12.327 4.234 1.00 0.00 C ATOM 381 CG ASP A 26 -5.735 -13.425 4.779 1.00 0.00 C ATOM 382 OD1 ASP A 26 -6.130 -14.606 4.700 1.00 0.00 O ATOM 383 OD2 ASP A 26 -4.637 -13.113 5.282 1.00 0.00 O ATOM 0 H ASP A 26 -5.135 -10.375 3.771 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.789 -12.737 2.292 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.582 -11.466 4.901 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.658 -12.673 4.224 1.00 0.00 H new ATOM 388 N TYR A 27 -7.818 -12.298 1.087 1.00 0.00 N ATOM 389 CA TYR A 27 -9.026 -12.132 0.299 1.00 0.00 C ATOM 390 C TYR A 27 -9.470 -13.490 -0.225 1.00 0.00 C ATOM 391 O TYR A 27 -8.635 -14.305 -0.615 1.00 0.00 O ATOM 392 CB TYR A 27 -8.817 -11.129 -0.859 1.00 0.00 C ATOM 393 CG TYR A 27 -7.724 -11.504 -1.850 1.00 0.00 C ATOM 394 CD1 TYR A 27 -8.022 -12.185 -3.027 1.00 0.00 C ATOM 395 CD2 TYR A 27 -6.400 -11.164 -1.614 1.00 0.00 C ATOM 396 CE1 TYR A 27 -7.028 -12.515 -3.935 1.00 0.00 C ATOM 397 CE2 TYR A 27 -5.405 -11.492 -2.510 1.00 0.00 C ATOM 398 CZ TYR A 27 -5.721 -12.166 -3.668 1.00 0.00 C ATOM 399 OH TYR A 27 -4.725 -12.486 -4.566 1.00 0.00 O ATOM 0 H TYR A 27 -7.271 -13.118 0.826 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.808 -11.718 0.936 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -9.757 -11.023 -1.401 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.582 -10.153 -0.435 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -9.045 -12.461 -3.236 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -6.144 -10.632 -0.710 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.275 -13.042 -4.845 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.380 -11.221 -2.304 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.095 -12.500 -5.473 1.00 0.00 H new ATOM 409 N SER A 28 -10.767 -13.753 -0.191 1.00 0.00 N ATOM 410 CA SER A 28 -11.289 -15.023 -0.662 1.00 0.00 C ATOM 411 C SER A 28 -11.147 -15.153 -2.176 1.00 0.00 C ATOM 412 O SER A 28 -10.774 -16.216 -2.689 1.00 0.00 O ATOM 413 CB SER A 28 -12.752 -15.156 -0.257 1.00 0.00 C ATOM 414 OG SER A 28 -13.468 -13.971 -0.575 1.00 0.00 O ATOM 0 H SER A 28 -11.474 -13.105 0.157 1.00 0.00 H new ATOM 0 HA SER A 28 -10.710 -15.825 -0.204 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.201 -16.007 -0.769 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.822 -15.354 0.813 1.00 0.00 H new ATOM 0 HG SER A 28 -14.406 -14.074 -0.310 1.00 0.00 H new ATOM 420 N SER A 29 -11.422 -14.066 -2.883 1.00 0.00 N ATOM 421 CA SER A 29 -11.325 -14.049 -4.323 1.00 0.00 C ATOM 422 C SER A 29 -11.489 -12.636 -4.852 1.00 0.00 C ATOM 423 O SER A 29 -12.147 -11.799 -4.223 1.00 0.00 O ATOM 424 CB SER A 29 -12.397 -14.960 -4.937 1.00 0.00 C ATOM 425 OG SER A 29 -12.336 -14.944 -6.351 1.00 0.00 O ATOM 0 H SER A 29 -11.716 -13.180 -2.472 1.00 0.00 H new ATOM 0 HA SER A 29 -10.338 -14.417 -4.604 1.00 0.00 H new ATOM 0 HB2 SER A 29 -12.261 -15.980 -4.576 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.385 -14.635 -4.610 1.00 0.00 H new ATOM 0 HG SER A 29 -12.712 -15.777 -6.704 1.00 0.00 H new ATOM 431 N LYS A 30 -10.878 -12.372 -5.993 1.00 0.00 N ATOM 432 CA LYS A 30 -11.016 -11.096 -6.676 1.00 0.00 C ATOM 433 C LYS A 30 -12.457 -10.910 -7.135 1.00 0.00 C ATOM 434 O LYS A 30 -13.038 -9.833 -6.983 1.00 0.00 O ATOM 435 CB LYS A 30 -10.096 -11.064 -7.892 1.00 0.00 C ATOM 436 CG LYS A 30 -10.139 -9.770 -8.671 1.00 0.00 C ATOM 437 CD LYS A 30 -9.264 -9.859 -9.891 1.00 0.00 C ATOM 438 CE LYS A 30 -9.286 -8.572 -10.686 1.00 0.00 C ATOM 439 NZ LYS A 30 -8.721 -8.761 -12.043 1.00 0.00 N ATOM 0 H LYS A 30 -10.271 -13.036 -6.474 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.746 -10.294 -5.989 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.072 -11.242 -7.563 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.365 -11.884 -8.558 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.165 -9.551 -8.967 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.808 -8.947 -8.038 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.241 -10.084 -9.590 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.600 -10.683 -10.521 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.311 -8.210 -10.765 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.717 -7.807 -10.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.751 -7.859 -12.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.735 -9.083 -11.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.279 -9.473 -12.555 1.00 0.00 H new ATOM 453 N GLU A 31 -13.041 -11.986 -7.677 1.00 0.00 N ATOM 454 CA GLU A 31 -14.389 -11.922 -8.209 1.00 0.00 C ATOM 455 C GLU A 31 -15.388 -11.680 -7.102 1.00 0.00 C ATOM 456 O GLU A 31 -16.336 -10.964 -7.289 1.00 0.00 O ATOM 457 CB GLU A 31 -14.755 -13.201 -8.980 1.00 0.00 C ATOM 458 CG GLU A 31 -15.094 -14.396 -8.099 1.00 0.00 C ATOM 459 CD GLU A 31 -15.446 -15.627 -8.898 1.00 0.00 C ATOM 460 OE1 GLU A 31 -14.661 -16.597 -8.886 1.00 0.00 O ATOM 461 OE2 GLU A 31 -16.501 -15.629 -9.552 1.00 0.00 O ATOM 0 H GLU A 31 -12.597 -12.901 -7.754 1.00 0.00 H new ATOM 0 HA GLU A 31 -14.424 -11.086 -8.908 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -15.607 -12.989 -9.626 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -13.922 -13.469 -9.629 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -14.245 -14.618 -7.452 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -15.930 -14.138 -7.450 1.00 0.00 H new ATOM 468 N ALA A 32 -15.146 -12.268 -5.933 1.00 0.00 N ATOM 469 CA ALA A 32 -16.058 -12.113 -4.804 1.00 0.00 C ATOM 470 C ALA A 32 -16.152 -10.667 -4.391 1.00 0.00 C ATOM 471 O ALA A 32 -17.221 -10.190 -4.025 1.00 0.00 O ATOM 472 CB ALA A 32 -15.614 -12.957 -3.627 1.00 0.00 C ATOM 0 H ALA A 32 -14.332 -12.852 -5.744 1.00 0.00 H new ATOM 0 HA ALA A 32 -17.043 -12.454 -5.123 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -16.311 -12.823 -2.800 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -15.595 -14.007 -3.919 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.616 -12.649 -3.314 1.00 0.00 H new ATOM 478 N ALA A 33 -15.036 -9.967 -4.476 1.00 0.00 N ATOM 479 CA ALA A 33 -15.003 -8.578 -4.113 1.00 0.00 C ATOM 480 C ALA A 33 -15.778 -7.751 -5.123 1.00 0.00 C ATOM 481 O ALA A 33 -16.735 -7.087 -4.765 1.00 0.00 O ATOM 482 CB ALA A 33 -13.569 -8.085 -4.008 1.00 0.00 C ATOM 0 H ALA A 33 -14.144 -10.345 -4.794 1.00 0.00 H new ATOM 0 HA ALA A 33 -15.474 -8.465 -3.137 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -13.566 -7.031 -3.732 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -13.041 -8.661 -3.248 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -13.070 -8.210 -4.969 1.00 0.00 H new ATOM 488 N PHE A 34 -15.394 -7.832 -6.394 1.00 0.00 N ATOM 489 CA PHE A 34 -16.065 -7.050 -7.437 1.00 0.00 C ATOM 490 C PHE A 34 -17.517 -7.434 -7.622 1.00 0.00 C ATOM 491 O PHE A 34 -18.388 -6.564 -7.687 1.00 0.00 O ATOM 492 CB PHE A 34 -15.334 -7.166 -8.764 1.00 0.00 C ATOM 493 CG PHE A 34 -14.029 -6.468 -8.764 1.00 0.00 C ATOM 494 CD1 PHE A 34 -12.866 -7.165 -8.521 1.00 0.00 C ATOM 495 CD2 PHE A 34 -13.964 -5.106 -9.004 1.00 0.00 C ATOM 496 CE1 PHE A 34 -11.650 -6.526 -8.503 1.00 0.00 C ATOM 497 CE2 PHE A 34 -12.742 -4.457 -8.996 1.00 0.00 C ATOM 498 CZ PHE A 34 -11.581 -5.176 -8.746 1.00 0.00 C ATOM 0 H PHE A 34 -14.632 -8.422 -6.727 1.00 0.00 H new ATOM 0 HA PHE A 34 -16.040 -6.015 -7.096 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -15.177 -8.219 -8.996 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -15.960 -6.755 -9.556 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -12.911 -8.229 -8.342 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -14.869 -4.549 -9.198 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -10.749 -7.085 -8.298 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.692 -3.395 -9.184 1.00 0.00 H new ATOM 0 HZ PHE A 34 -10.625 -4.674 -8.743 1.00 0.00 H new ATOM 508 N GLU A 35 -17.780 -8.731 -7.698 1.00 0.00 N ATOM 509 CA GLU A 35 -19.121 -9.225 -7.938 1.00 0.00 C ATOM 510 C GLU A 35 -20.078 -8.755 -6.860 1.00 0.00 C ATOM 511 O GLU A 35 -21.099 -8.139 -7.155 1.00 0.00 O ATOM 512 CB GLU A 35 -19.135 -10.749 -8.021 1.00 0.00 C ATOM 513 CG GLU A 35 -20.493 -11.326 -8.358 1.00 0.00 C ATOM 514 CD GLU A 35 -20.474 -12.835 -8.449 1.00 0.00 C ATOM 515 OE1 GLU A 35 -20.311 -13.363 -9.564 1.00 0.00 O ATOM 516 OE2 GLU A 35 -20.641 -13.505 -7.411 1.00 0.00 O ATOM 0 H GLU A 35 -17.075 -9.461 -7.596 1.00 0.00 H new ATOM 0 HA GLU A 35 -19.453 -8.821 -8.894 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -18.416 -11.070 -8.775 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -18.802 -11.159 -7.068 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -21.213 -11.020 -7.599 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -20.835 -10.912 -9.307 1.00 0.00 H new ATOM 523 N ALA A 36 -19.732 -9.017 -5.614 1.00 0.00 N ATOM 524 CA ALA A 36 -20.585 -8.635 -4.506 1.00 0.00 C ATOM 525 C ALA A 36 -20.666 -7.123 -4.348 1.00 0.00 C ATOM 526 O ALA A 36 -21.735 -6.582 -4.085 1.00 0.00 O ATOM 527 CB ALA A 36 -20.119 -9.270 -3.219 1.00 0.00 C ATOM 0 H ALA A 36 -18.870 -9.491 -5.345 1.00 0.00 H new ATOM 0 HA ALA A 36 -21.586 -9.001 -4.734 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -20.777 -8.966 -2.405 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -20.143 -10.355 -3.319 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -19.101 -8.948 -3.002 1.00 0.00 H new ATOM 533 N ALA A 37 -19.532 -6.448 -4.507 1.00 0.00 N ATOM 534 CA ALA A 37 -19.478 -5.003 -4.347 1.00 0.00 C ATOM 535 C ALA A 37 -20.395 -4.293 -5.325 1.00 0.00 C ATOM 536 O ALA A 37 -21.223 -3.481 -4.926 1.00 0.00 O ATOM 537 CB ALA A 37 -18.056 -4.499 -4.496 1.00 0.00 C ATOM 0 H ALA A 37 -18.640 -6.880 -4.746 1.00 0.00 H new ATOM 0 HA ALA A 37 -19.828 -4.775 -3.340 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -18.039 -3.416 -4.373 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.425 -4.961 -3.737 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -17.680 -4.757 -5.486 1.00 0.00 H new ATOM 543 N CYS A 38 -20.273 -4.614 -6.602 1.00 0.00 N ATOM 544 CA CYS A 38 -21.104 -3.982 -7.600 1.00 0.00 C ATOM 545 C CYS A 38 -22.574 -4.377 -7.418 1.00 0.00 C ATOM 546 O CYS A 38 -23.484 -3.563 -7.636 1.00 0.00 O ATOM 547 CB CYS A 38 -20.620 -4.291 -9.011 1.00 0.00 C ATOM 548 SG CYS A 38 -20.608 -6.047 -9.456 1.00 0.00 S ATOM 0 H CYS A 38 -19.613 -5.302 -6.965 1.00 0.00 H new ATOM 0 HA CYS A 38 -21.025 -2.904 -7.460 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -21.253 -3.757 -9.720 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -19.610 -3.897 -9.126 1.00 0.00 H new ATOM 0 HG CYS A 38 -19.573 -6.623 -8.920 1.00 0.00 H new ATOM 554 N ALA A 39 -22.798 -5.632 -7.017 1.00 0.00 N ATOM 555 CA ALA A 39 -24.144 -6.137 -6.777 1.00 0.00 C ATOM 556 C ALA A 39 -24.826 -5.366 -5.652 1.00 0.00 C ATOM 557 O ALA A 39 -25.955 -4.894 -5.803 1.00 0.00 O ATOM 558 CB ALA A 39 -24.095 -7.618 -6.449 1.00 0.00 C ATOM 0 H ALA A 39 -22.059 -6.315 -6.853 1.00 0.00 H new ATOM 0 HA ALA A 39 -24.729 -5.995 -7.685 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -25.106 -7.985 -6.271 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -23.653 -8.161 -7.284 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -23.491 -7.773 -5.555 1.00 0.00 H new ATOM 564 N ALA A 40 -24.123 -5.226 -4.538 1.00 0.00 N ATOM 565 CA ALA A 40 -24.636 -4.483 -3.386 1.00 0.00 C ATOM 566 C ALA A 40 -24.840 -3.024 -3.737 1.00 0.00 C ATOM 567 O ALA A 40 -25.794 -2.395 -3.288 1.00 0.00 O ATOM 568 CB ALA A 40 -23.697 -4.621 -2.195 1.00 0.00 C ATOM 0 H ALA A 40 -23.191 -5.617 -4.403 1.00 0.00 H new ATOM 0 HA ALA A 40 -25.602 -4.907 -3.111 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -24.097 -4.061 -1.350 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -23.606 -5.673 -1.923 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -22.715 -4.228 -2.458 1.00 0.00 H new ATOM 574 N ALA A 41 -23.945 -2.493 -4.555 1.00 0.00 N ATOM 575 CA ALA A 41 -24.035 -1.113 -4.996 1.00 0.00 C ATOM 576 C ALA A 41 -25.291 -0.882 -5.792 1.00 0.00 C ATOM 577 O ALA A 41 -25.915 0.169 -5.675 1.00 0.00 O ATOM 578 CB ALA A 41 -22.829 -0.742 -5.821 1.00 0.00 C ATOM 0 H ALA A 41 -23.144 -3.002 -4.928 1.00 0.00 H new ATOM 0 HA ALA A 41 -24.066 -0.480 -4.109 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -22.914 0.296 -6.143 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -21.927 -0.864 -5.222 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -22.773 -1.390 -6.696 1.00 0.00 H new ATOM 584 N SER A 42 -25.668 -1.866 -6.601 1.00 0.00 N ATOM 585 CA SER A 42 -26.864 -1.747 -7.398 1.00 0.00 C ATOM 586 C SER A 42 -28.083 -1.585 -6.490 1.00 0.00 C ATOM 587 O SER A 42 -28.922 -0.717 -6.711 1.00 0.00 O ATOM 588 CB SER A 42 -27.040 -2.969 -8.280 1.00 0.00 C ATOM 589 OG SER A 42 -25.900 -3.168 -9.109 1.00 0.00 O ATOM 0 H SER A 42 -25.162 -2.744 -6.716 1.00 0.00 H new ATOM 0 HA SER A 42 -26.769 -0.867 -8.034 1.00 0.00 H new ATOM 0 HB2 SER A 42 -27.201 -3.850 -7.659 1.00 0.00 H new ATOM 0 HB3 SER A 42 -27.929 -2.850 -8.900 1.00 0.00 H new ATOM 0 HG SER A 42 -25.129 -3.406 -8.553 1.00 0.00 H new ATOM 595 N ASN A 43 -28.155 -2.426 -5.453 1.00 0.00 N ATOM 596 CA ASN A 43 -29.231 -2.358 -4.475 1.00 0.00 C ATOM 597 C ASN A 43 -29.177 -1.031 -3.741 1.00 0.00 C ATOM 598 O ASN A 43 -30.196 -0.364 -3.556 1.00 0.00 O ATOM 599 CB ASN A 43 -29.102 -3.507 -3.457 1.00 0.00 C ATOM 600 CG ASN A 43 -30.184 -3.479 -2.390 1.00 0.00 C ATOM 601 OD1 ASN A 43 -31.334 -3.143 -2.660 1.00 0.00 O ATOM 602 ND2 ASN A 43 -29.812 -3.816 -1.164 1.00 0.00 N ATOM 0 H ASN A 43 -27.474 -3.164 -5.274 1.00 0.00 H new ATOM 0 HA ASN A 43 -30.183 -2.449 -4.999 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -29.145 -4.460 -3.985 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -28.125 -3.452 -2.977 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -30.491 -3.802 -0.403 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -28.846 -4.089 -0.981 1.00 0.00 H new ATOM 609 N ALA A 44 -27.972 -0.643 -3.356 1.00 0.00 N ATOM 610 CA ALA A 44 -27.759 0.571 -2.599 1.00 0.00 C ATOM 611 C ALA A 44 -28.234 1.807 -3.358 1.00 0.00 C ATOM 612 O ALA A 44 -29.014 2.602 -2.835 1.00 0.00 O ATOM 613 CB ALA A 44 -26.293 0.714 -2.226 1.00 0.00 C ATOM 0 H ALA A 44 -27.118 -1.162 -3.561 1.00 0.00 H new ATOM 0 HA ALA A 44 -28.354 0.495 -1.689 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -26.150 1.633 -1.657 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -25.987 -0.139 -1.621 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -25.689 0.751 -3.133 1.00 0.00 H new ATOM 619 N ILE A 45 -27.798 1.951 -4.600 1.00 0.00 N ATOM 620 CA ILE A 45 -28.159 3.121 -5.396 1.00 0.00 C ATOM 621 C ILE A 45 -29.645 3.110 -5.755 1.00 0.00 C ATOM 622 O ILE A 45 -30.306 4.153 -5.737 1.00 0.00 O ATOM 623 CB ILE A 45 -27.286 3.260 -6.687 1.00 0.00 C ATOM 624 CG1 ILE A 45 -27.574 4.595 -7.392 1.00 0.00 C ATOM 625 CG2 ILE A 45 -27.507 2.088 -7.642 1.00 0.00 C ATOM 626 CD1 ILE A 45 -26.636 4.891 -8.545 1.00 0.00 C ATOM 0 H ILE A 45 -27.198 1.279 -5.079 1.00 0.00 H new ATOM 0 HA ILE A 45 -27.957 3.992 -4.773 1.00 0.00 H new ATOM 0 HB ILE A 45 -26.239 3.245 -6.383 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -28.599 4.586 -7.762 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -27.505 5.403 -6.663 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -26.885 2.218 -8.527 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -27.239 1.157 -7.143 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -28.556 2.052 -7.937 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -26.901 5.849 -8.993 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -25.610 4.933 -8.178 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -26.721 4.104 -9.294 1.00 0.00 H new ATOM 638 N LYS A 46 -30.169 1.924 -6.046 1.00 0.00 N ATOM 639 CA LYS A 46 -31.568 1.767 -6.423 1.00 0.00 C ATOM 640 C LYS A 46 -32.477 2.213 -5.274 1.00 0.00 C ATOM 641 O LYS A 46 -33.531 2.819 -5.480 1.00 0.00 O ATOM 642 CB LYS A 46 -31.850 0.304 -6.768 1.00 0.00 C ATOM 643 CG LYS A 46 -33.234 0.052 -7.339 1.00 0.00 C ATOM 644 CD LYS A 46 -33.437 -1.423 -7.656 1.00 0.00 C ATOM 645 CE LYS A 46 -32.419 -1.913 -8.677 1.00 0.00 C ATOM 646 NZ LYS A 46 -32.723 -3.287 -9.155 1.00 0.00 N ATOM 0 H LYS A 46 -29.641 1.052 -6.027 1.00 0.00 H new ATOM 0 HA LYS A 46 -31.771 2.388 -7.295 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -31.105 -0.037 -7.487 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -31.725 -0.300 -5.869 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -33.990 0.381 -6.626 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -33.370 0.644 -8.244 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -33.350 -2.009 -6.741 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -34.445 -1.580 -8.040 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -32.401 -1.230 -9.526 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -31.424 -1.896 -8.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -32.005 -3.580 -9.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -32.715 -3.945 -8.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -33.662 -3.299 -9.603 1.00 0.00 H new ATOM 660 N PHE A 47 -32.039 1.914 -4.065 1.00 0.00 N ATOM 661 CA PHE A 47 -32.780 2.228 -2.850 1.00 0.00 C ATOM 662 C PHE A 47 -32.478 3.625 -2.312 1.00 0.00 C ATOM 663 O PHE A 47 -33.107 4.070 -1.346 1.00 0.00 O ATOM 664 CB PHE A 47 -32.444 1.203 -1.782 1.00 0.00 C ATOM 665 CG PHE A 47 -33.334 -0.008 -1.765 1.00 0.00 C ATOM 666 CD1 PHE A 47 -33.704 -0.636 -2.941 1.00 0.00 C ATOM 667 CD2 PHE A 47 -33.799 -0.516 -0.557 1.00 0.00 C ATOM 668 CE1 PHE A 47 -34.521 -1.750 -2.918 1.00 0.00 C ATOM 669 CE2 PHE A 47 -34.622 -1.631 -0.529 1.00 0.00 C ATOM 670 CZ PHE A 47 -34.980 -2.247 -1.712 1.00 0.00 C ATOM 0 H PHE A 47 -31.151 1.442 -3.894 1.00 0.00 H new ATOM 0 HA PHE A 47 -33.840 2.201 -3.104 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -31.414 0.877 -1.924 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -32.494 1.686 -0.806 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -33.351 -0.252 -3.886 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -33.516 -0.037 0.369 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -34.801 -2.233 -3.842 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -34.982 -2.016 0.414 1.00 0.00 H new ATOM 0 HZ PHE A 47 -35.619 -3.118 -1.695 1.00 0.00 H new ATOM 680 N GLY A 48 -31.525 4.308 -2.914 1.00 0.00 N ATOM 681 CA GLY A 48 -31.158 5.623 -2.425 1.00 0.00 C ATOM 682 C GLY A 48 -30.347 5.544 -1.159 1.00 0.00 C ATOM 683 O GLY A 48 -30.278 6.509 -0.393 1.00 0.00 O ATOM 0 H GLY A 48 -31.000 3.984 -3.726 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -30.587 6.149 -3.190 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -32.060 6.207 -2.243 1.00 0.00 H new ATOM 687 N HIS A 49 -29.743 4.384 -0.932 1.00 0.00 N ATOM 688 CA HIS A 49 -28.892 4.170 0.224 1.00 0.00 C ATOM 689 C HIS A 49 -27.677 5.055 0.107 1.00 0.00 C ATOM 690 O HIS A 49 -27.119 5.190 -0.987 1.00 0.00 O ATOM 691 CB HIS A 49 -28.450 2.706 0.307 1.00 0.00 C ATOM 692 CG HIS A 49 -29.565 1.747 0.579 1.00 0.00 C ATOM 693 ND1 HIS A 49 -29.485 0.401 0.288 1.00 0.00 N ATOM 694 CD2 HIS A 49 -30.781 1.934 1.146 1.00 0.00 C ATOM 695 CE1 HIS A 49 -30.601 -0.197 0.664 1.00 0.00 C ATOM 696 NE2 HIS A 49 -31.403 0.710 1.188 1.00 0.00 N ATOM 0 H HIS A 49 -29.831 3.571 -1.542 1.00 0.00 H new ATOM 0 HA HIS A 49 -29.452 4.414 1.127 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -27.968 2.429 -0.630 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -27.701 2.608 1.092 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -31.186 2.871 1.499 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -30.820 -1.249 0.560 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -32.334 0.531 1.564 1.00 0.00 H new ATOM 704 N GLU A 50 -27.280 5.684 1.199 1.00 0.00 N ATOM 705 CA GLU A 50 -26.105 6.528 1.168 1.00 0.00 C ATOM 706 C GLU A 50 -24.897 5.707 0.772 1.00 0.00 C ATOM 707 O GLU A 50 -24.611 4.666 1.382 1.00 0.00 O ATOM 708 CB GLU A 50 -25.850 7.188 2.514 1.00 0.00 C ATOM 709 CG GLU A 50 -24.635 8.110 2.501 1.00 0.00 C ATOM 710 CD GLU A 50 -24.237 8.591 3.874 1.00 0.00 C ATOM 711 OE1 GLU A 50 -25.043 9.279 4.530 1.00 0.00 O ATOM 712 OE2 GLU A 50 -23.115 8.269 4.314 1.00 0.00 O ATOM 0 H GLU A 50 -27.747 5.627 2.104 1.00 0.00 H new ATOM 0 HA GLU A 50 -26.280 7.315 0.434 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -26.731 7.760 2.805 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -25.706 6.416 3.270 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -23.794 7.584 2.050 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -24.848 8.972 1.869 1.00 0.00 H new ATOM 719 N VAL A 51 -24.199 6.160 -0.241 1.00 0.00 N ATOM 720 CA VAL A 51 -23.026 5.478 -0.692 1.00 0.00 C ATOM 721 C VAL A 51 -21.792 6.290 -0.360 1.00 0.00 C ATOM 722 O VAL A 51 -21.712 7.486 -0.654 1.00 0.00 O ATOM 723 CB VAL A 51 -23.076 5.160 -2.213 1.00 0.00 C ATOM 724 CG1 VAL A 51 -24.143 4.112 -2.502 1.00 0.00 C ATOM 725 CG2 VAL A 51 -23.341 6.418 -3.038 1.00 0.00 C ATOM 0 H VAL A 51 -24.430 7.003 -0.766 1.00 0.00 H new ATOM 0 HA VAL A 51 -22.982 4.523 -0.168 1.00 0.00 H new ATOM 0 HB VAL A 51 -22.101 4.766 -2.501 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -24.165 3.901 -3.571 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -23.912 3.197 -1.956 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -25.116 4.487 -2.186 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -23.370 6.160 -4.097 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -24.297 6.851 -2.744 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -22.546 7.142 -2.863 1.00 0.00 H new ATOM 735 N ARG A 52 -20.856 5.658 0.290 1.00 0.00 N ATOM 736 CA ARG A 52 -19.637 6.308 0.659 1.00 0.00 C ATOM 737 C ARG A 52 -18.496 5.669 -0.078 1.00 0.00 C ATOM 738 O ARG A 52 -18.207 4.498 0.115 1.00 0.00 O ATOM 739 CB ARG A 52 -19.405 6.188 2.165 1.00 0.00 C ATOM 740 CG ARG A 52 -18.203 6.965 2.680 1.00 0.00 C ATOM 741 CD ARG A 52 -18.396 8.462 2.518 1.00 0.00 C ATOM 742 NE ARG A 52 -17.700 8.985 1.339 1.00 0.00 N ATOM 743 CZ ARG A 52 -18.296 9.591 0.307 1.00 0.00 C ATOM 744 NH1 ARG A 52 -19.624 9.632 0.219 1.00 0.00 N ATOM 745 NH2 ARG A 52 -17.562 10.124 -0.659 1.00 0.00 N ATOM 0 H ARG A 52 -20.919 4.681 0.577 1.00 0.00 H new ATOM 0 HA ARG A 52 -19.702 7.364 0.399 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -20.297 6.535 2.686 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -19.277 5.135 2.418 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -18.040 6.730 3.732 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -17.308 6.652 2.141 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -19.460 8.683 2.437 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -18.031 8.972 3.409 1.00 0.00 H new ATOM 0 HE ARG A 52 -16.686 8.879 1.303 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -20.197 9.198 0.943 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -20.069 10.097 -0.573 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.544 10.071 -0.614 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -18.015 10.587 -1.447 1.00 0.00 H new ATOM 759 N ILE A 53 -17.857 6.422 -0.920 1.00 0.00 N ATOM 760 CA ILE A 53 -16.742 5.901 -1.635 1.00 0.00 C ATOM 761 C ILE A 53 -15.493 6.486 -1.047 1.00 0.00 C ATOM 762 O ILE A 53 -15.229 7.681 -1.195 1.00 0.00 O ATOM 763 CB ILE A 53 -16.824 6.256 -3.136 1.00 0.00 C ATOM 764 CG1 ILE A 53 -18.141 5.741 -3.719 1.00 0.00 C ATOM 765 CG2 ILE A 53 -15.636 5.663 -3.890 1.00 0.00 C ATOM 766 CD1 ILE A 53 -18.397 6.188 -5.139 1.00 0.00 C ATOM 0 H ILE A 53 -18.090 7.394 -1.126 1.00 0.00 H new ATOM 0 HA ILE A 53 -16.738 4.814 -1.550 1.00 0.00 H new ATOM 0 HB ILE A 53 -16.790 7.340 -3.246 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -18.140 4.652 -3.686 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -18.963 6.079 -3.088 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -15.709 5.922 -4.946 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -14.709 6.064 -3.481 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.641 4.578 -3.782 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -19.349 5.783 -5.482 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -18.431 7.277 -5.177 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -17.596 5.827 -5.784 1.00 0.00 H new ATOM 778 N THR A 54 -14.736 5.663 -0.376 1.00 0.00 N ATOM 779 CA THR A 54 -13.534 6.111 0.234 1.00 0.00 C ATOM 780 C THR A 54 -12.354 5.358 -0.355 1.00 0.00 C ATOM 781 O THR A 54 -12.041 4.231 0.042 1.00 0.00 O ATOM 782 CB THR A 54 -13.580 5.912 1.765 1.00 0.00 C ATOM 783 OG1 THR A 54 -14.784 6.500 2.291 1.00 0.00 O ATOM 784 CG2 THR A 54 -12.368 6.560 2.433 1.00 0.00 C ATOM 0 H THR A 54 -14.940 4.673 -0.242 1.00 0.00 H new ATOM 0 HA THR A 54 -13.422 7.177 0.037 1.00 0.00 H new ATOM 0 HB THR A 54 -13.565 4.843 1.975 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.813 6.372 3.262 1.00 0.00 H new ATOM 0 HG21 THR A 54 -12.422 6.407 3.511 1.00 0.00 H new ATOM 0 HG22 THR A 54 -11.455 6.107 2.047 1.00 0.00 H new ATOM 0 HG23 THR A 54 -12.362 7.629 2.218 1.00 0.00 H new ATOM 792 N VAL A 55 -11.728 5.974 -1.321 1.00 0.00 N ATOM 793 CA VAL A 55 -10.573 5.397 -1.966 1.00 0.00 C ATOM 794 C VAL A 55 -9.330 6.262 -1.743 1.00 0.00 C ATOM 795 O VAL A 55 -9.036 7.169 -2.522 1.00 0.00 O ATOM 796 CB VAL A 55 -10.812 5.153 -3.486 1.00 0.00 C ATOM 797 CG1 VAL A 55 -11.782 4.000 -3.687 1.00 0.00 C ATOM 798 CG2 VAL A 55 -11.350 6.409 -4.170 1.00 0.00 C ATOM 0 H VAL A 55 -12.001 6.887 -1.684 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.403 4.424 -1.505 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.853 4.901 -3.939 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -11.941 3.840 -4.753 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -11.369 3.095 -3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.733 4.237 -3.210 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.507 6.207 -5.230 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -12.296 6.696 -3.711 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.631 7.221 -4.057 1.00 0.00 H new ATOM 808 N PRO A 56 -8.609 6.022 -0.635 1.00 0.00 N ATOM 809 CA PRO A 56 -7.401 6.768 -0.317 1.00 0.00 C ATOM 810 C PRO A 56 -6.230 6.362 -1.204 1.00 0.00 C ATOM 811 O PRO A 56 -6.134 5.210 -1.647 1.00 0.00 O ATOM 812 CB PRO A 56 -7.139 6.402 1.147 1.00 0.00 C ATOM 813 CG PRO A 56 -7.696 5.031 1.283 1.00 0.00 C ATOM 814 CD PRO A 56 -8.905 4.992 0.390 1.00 0.00 C ATOM 0 HA PRO A 56 -7.516 7.840 -0.480 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.074 6.425 1.379 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -7.628 7.100 1.826 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.965 4.280 0.985 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -7.966 4.819 2.317 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -9.042 4.008 -0.058 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -9.818 5.223 0.939 1.00 0.00 H new ATOM 822 N GLY A 57 -5.358 7.305 -1.474 1.00 0.00 N ATOM 823 CA GLY A 57 -4.202 7.026 -2.283 1.00 0.00 C ATOM 824 C GLY A 57 -2.949 7.341 -1.529 1.00 0.00 C ATOM 825 O GLY A 57 -1.844 7.021 -1.962 1.00 0.00 O ATOM 0 H GLY A 57 -5.429 8.268 -1.145 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.202 5.977 -2.579 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.241 7.615 -3.199 1.00 0.00 H new ATOM 829 N ASN A 58 -3.127 7.983 -0.391 1.00 0.00 N ATOM 830 CA ASN A 58 -2.027 8.350 0.462 1.00 0.00 C ATOM 831 C ASN A 58 -1.890 7.363 1.610 1.00 0.00 C ATOM 832 O ASN A 58 -2.812 6.600 1.907 1.00 0.00 O ATOM 833 CB ASN A 58 -2.169 9.792 0.984 1.00 0.00 C ATOM 834 CG ASN A 58 -3.433 10.035 1.795 1.00 0.00 C ATOM 835 OD1 ASN A 58 -4.472 9.404 1.572 1.00 0.00 O ATOM 836 ND2 ASN A 58 -3.352 10.958 2.732 1.00 0.00 N ATOM 0 H ASN A 58 -4.042 8.263 -0.036 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.116 8.312 -0.135 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -1.303 10.031 1.600 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.156 10.477 0.136 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.167 11.175 3.306 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.475 11.456 2.883 1.00 0.00 H new ATOM 843 N ASP A 59 -0.748 7.388 2.237 1.00 0.00 N ATOM 844 CA ASP A 59 -0.414 6.451 3.311 1.00 0.00 C ATOM 845 C ASP A 59 -1.008 6.896 4.645 1.00 0.00 C ATOM 846 O ASP A 59 -0.613 7.927 5.194 1.00 0.00 O ATOM 847 CB ASP A 59 1.112 6.344 3.441 1.00 0.00 C ATOM 848 CG ASP A 59 1.788 5.904 2.155 1.00 0.00 C ATOM 849 OD1 ASP A 59 1.961 4.685 1.950 1.00 0.00 O ATOM 850 OD2 ASP A 59 2.155 6.781 1.337 1.00 0.00 O ATOM 0 H ASP A 59 -0.007 8.057 2.028 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.839 5.480 3.058 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.514 7.311 3.744 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.355 5.636 4.233 1.00 0.00 H new ATOM 855 N GLY A 60 -1.969 6.118 5.163 1.00 0.00 N ATOM 856 CA GLY A 60 -2.571 6.423 6.450 1.00 0.00 C ATOM 857 C GLY A 60 -3.312 7.738 6.443 1.00 0.00 C ATOM 858 O GLY A 60 -2.878 8.703 7.067 1.00 0.00 O ATOM 0 H GLY A 60 -2.337 5.282 4.709 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.259 5.623 6.725 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.794 6.451 7.214 1.00 0.00 H new ATOM 862 N SER A 61 -4.429 7.781 5.742 1.00 0.00 N ATOM 863 CA SER A 61 -5.201 9.007 5.632 1.00 0.00 C ATOM 864 C SER A 61 -6.197 9.164 6.778 1.00 0.00 C ATOM 865 O SER A 61 -6.717 10.252 7.010 1.00 0.00 O ATOM 866 CB SER A 61 -5.925 9.042 4.292 1.00 0.00 C ATOM 867 OG SER A 61 -6.708 7.871 4.103 1.00 0.00 O ATOM 0 H SER A 61 -4.822 6.984 5.241 1.00 0.00 H new ATOM 0 HA SER A 61 -4.506 9.844 5.694 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.565 9.923 4.244 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.198 9.132 3.485 1.00 0.00 H new ATOM 0 HG SER A 61 -7.617 8.124 3.838 1.00 0.00 H new ATOM 873 N GLU A 62 -6.456 8.084 7.494 1.00 0.00 N ATOM 874 CA GLU A 62 -7.403 8.133 8.590 1.00 0.00 C ATOM 875 C GLU A 62 -6.704 8.018 9.939 1.00 0.00 C ATOM 876 O GLU A 62 -6.734 8.952 10.740 1.00 0.00 O ATOM 877 CB GLU A 62 -8.469 7.041 8.440 1.00 0.00 C ATOM 878 CG GLU A 62 -9.374 7.222 7.225 1.00 0.00 C ATOM 879 CD GLU A 62 -10.201 8.496 7.287 1.00 0.00 C ATOM 880 OE1 GLU A 62 -10.949 8.680 8.271 1.00 0.00 O ATOM 881 OE2 GLU A 62 -10.119 9.310 6.344 1.00 0.00 O ATOM 0 H GLU A 62 -6.028 7.172 7.337 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.896 9.104 8.553 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.975 6.072 8.371 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.084 7.022 9.339 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.763 7.235 6.322 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.042 6.365 7.145 1.00 0.00 H new ATOM 888 N THR A 63 -6.059 6.881 10.187 1.00 0.00 N ATOM 889 CA THR A 63 -5.390 6.657 11.474 1.00 0.00 C ATOM 890 C THR A 63 -4.160 5.751 11.365 1.00 0.00 C ATOM 891 O THR A 63 -3.535 5.437 12.385 1.00 0.00 O ATOM 892 CB THR A 63 -6.357 6.076 12.536 1.00 0.00 C ATOM 893 OG1 THR A 63 -7.359 5.267 11.900 1.00 0.00 O ATOM 894 CG2 THR A 63 -7.023 7.178 13.345 1.00 0.00 C ATOM 0 H THR A 63 -5.983 6.107 9.526 1.00 0.00 H new ATOM 0 HA THR A 63 -5.054 7.644 11.792 1.00 0.00 H new ATOM 0 HB THR A 63 -5.771 5.461 13.219 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.965 4.903 12.579 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.694 6.735 14.080 1.00 0.00 H new ATOM 0 HG22 THR A 63 -6.261 7.765 13.857 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.592 7.826 12.678 1.00 0.00 H new ATOM 902 N ASN A 64 -3.827 5.325 10.132 1.00 0.00 N ATOM 903 CA ASN A 64 -2.650 4.451 9.858 1.00 0.00 C ATOM 904 C ASN A 64 -2.885 3.000 10.306 1.00 0.00 C ATOM 905 O ASN A 64 -2.491 2.063 9.612 1.00 0.00 O ATOM 906 CB ASN A 64 -1.365 5.015 10.505 1.00 0.00 C ATOM 907 CG ASN A 64 -0.115 4.225 10.142 1.00 0.00 C ATOM 908 OD1 ASN A 64 0.527 4.496 9.129 1.00 0.00 O ATOM 909 ND2 ASN A 64 0.245 3.252 10.963 1.00 0.00 N ATOM 0 H ASN A 64 -4.357 5.570 9.296 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.516 4.443 8.776 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -1.235 6.052 10.195 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.483 5.019 11.589 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.079 2.699 10.764 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.311 3.055 11.795 1.00 0.00 H new ATOM 916 N LEU A 65 -3.547 2.834 11.456 1.00 0.00 N ATOM 917 CA LEU A 65 -3.853 1.509 12.023 1.00 0.00 C ATOM 918 C LEU A 65 -2.577 0.708 12.320 1.00 0.00 C ATOM 919 O LEU A 65 -1.468 1.263 12.345 1.00 0.00 O ATOM 920 CB LEU A 65 -4.800 0.698 11.097 1.00 0.00 C ATOM 921 CG LEU A 65 -6.241 1.222 10.934 1.00 0.00 C ATOM 922 CD1 LEU A 65 -6.881 1.487 12.288 1.00 0.00 C ATOM 923 CD2 LEU A 65 -6.287 2.466 10.055 1.00 0.00 C ATOM 0 H LEU A 65 -3.887 3.611 12.022 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.368 1.682 12.968 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.345 0.647 10.108 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.852 -0.322 11.476 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.818 0.445 10.433 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.897 1.856 12.144 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.909 0.562 12.865 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.297 2.233 12.827 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.318 2.808 9.962 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.683 3.253 10.507 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.893 2.228 9.067 1.00 0.00 H new ATOM 935 N GLY A 66 -2.743 -0.583 12.544 1.00 0.00 N ATOM 936 CA GLY A 66 -1.627 -1.438 12.851 1.00 0.00 C ATOM 937 C GLY A 66 -2.013 -2.889 12.798 1.00 0.00 C ATOM 938 O GLY A 66 -3.198 -3.225 12.892 1.00 0.00 O ATOM 0 H GLY A 66 -3.646 -1.057 12.517 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.818 -1.250 12.145 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.246 -1.198 13.844 1.00 0.00 H new ATOM 942 N VAL A 67 -1.035 -3.756 12.635 1.00 0.00 N ATOM 943 CA VAL A 67 -1.300 -5.177 12.548 1.00 0.00 C ATOM 944 C VAL A 67 -1.261 -5.840 13.930 1.00 0.00 C ATOM 945 O VAL A 67 -0.208 -5.970 14.555 1.00 0.00 O ATOM 946 CB VAL A 67 -0.337 -5.896 11.564 1.00 0.00 C ATOM 947 CG1 VAL A 67 -0.669 -5.510 10.130 1.00 0.00 C ATOM 948 CG2 VAL A 67 1.121 -5.565 11.879 1.00 0.00 C ATOM 0 H VAL A 67 -0.050 -3.502 12.560 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.309 -5.282 12.149 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.471 -6.971 11.682 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.012 -6.020 9.449 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.695 -5.801 9.903 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.563 -4.432 10.010 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.772 -6.082 11.174 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.276 -4.489 11.794 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.356 -5.887 12.893 1.00 0.00 H new ATOM 958 N ILE A 68 -2.430 -6.225 14.407 1.00 0.00 N ATOM 959 CA ILE A 68 -2.558 -6.872 15.709 1.00 0.00 C ATOM 960 C ILE A 68 -2.621 -8.386 15.575 1.00 0.00 C ATOM 961 O ILE A 68 -2.730 -9.108 16.568 1.00 0.00 O ATOM 962 CB ILE A 68 -3.806 -6.380 16.477 1.00 0.00 C ATOM 963 CG1 ILE A 68 -5.082 -6.666 15.674 1.00 0.00 C ATOM 964 CG2 ILE A 68 -3.680 -4.896 16.788 1.00 0.00 C ATOM 965 CD1 ILE A 68 -6.364 -6.378 16.431 1.00 0.00 C ATOM 0 H ILE A 68 -3.313 -6.102 13.912 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.667 -6.599 16.275 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.874 -6.924 17.419 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.068 -6.068 14.763 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.080 -7.712 15.368 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.565 -4.561 17.329 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.794 -4.727 17.401 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.590 -4.336 15.857 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.220 -6.605 15.796 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.403 -6.996 17.328 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.391 -5.326 16.714 1.00 0.00 H new ATOM 977 N THR A 69 -2.533 -8.870 14.352 1.00 0.00 N ATOM 978 CA THR A 69 -2.650 -10.288 14.104 1.00 0.00 C ATOM 979 C THR A 69 -1.294 -10.978 14.201 1.00 0.00 C ATOM 980 O THR A 69 -0.342 -10.626 13.499 1.00 0.00 O ATOM 981 CB THR A 69 -3.314 -10.575 12.720 1.00 0.00 C ATOM 982 OG1 THR A 69 -3.413 -11.992 12.495 1.00 0.00 O ATOM 983 CG2 THR A 69 -2.546 -9.922 11.573 1.00 0.00 C ATOM 0 H THR A 69 -2.381 -8.302 13.518 1.00 0.00 H new ATOM 0 HA THR A 69 -3.298 -10.699 14.878 1.00 0.00 H new ATOM 0 HB THR A 69 -4.313 -10.140 12.745 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.833 -12.157 11.625 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.042 -10.147 10.629 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.519 -8.842 11.721 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.528 -10.310 11.549 1.00 0.00 H new ATOM 991 N ASN A 70 -1.204 -11.921 15.114 1.00 0.00 N ATOM 992 CA ASN A 70 0.009 -12.691 15.314 1.00 0.00 C ATOM 993 C ASN A 70 -0.124 -14.036 14.621 1.00 0.00 C ATOM 994 O ASN A 70 0.782 -14.412 13.862 1.00 0.00 O ATOM 995 CB ASN A 70 0.311 -12.872 16.818 1.00 0.00 C ATOM 996 CG ASN A 70 -0.740 -13.685 17.562 1.00 0.00 C ATOM 997 OD1 ASN A 70 -1.771 -13.155 17.984 1.00 0.00 O ATOM 998 ND2 ASN A 70 -0.480 -14.966 17.746 1.00 0.00 N ATOM 0 H ASN A 70 -1.968 -12.177 15.739 1.00 0.00 H new ATOM 0 HA ASN A 70 0.847 -12.148 14.877 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.280 -13.360 16.929 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.394 -11.890 17.283 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -1.143 -15.553 18.252 1.00 0.00 H new ATOM 0 HD22 ASN A 70 0.384 -15.369 17.382 1.00 0.00 H new TER 1005 ASN A 70