USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 507 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 HIS : no HD1:sc= -0.0082 X(o=-3.9,f=-4.2) USER MOD Set 1.2: A 17 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.4: A 33 ASN : amide:sc= -3.91! X(o=-3.9!,f=-3.8) USER MOD Set 2.1: A 14 CYS SG : rot 74:sc= 0.61! USER MOD Set 2.2: A 23 CYS SG : rot 62:sc= 1.5 USER MOD Single : A 1 GLY N :NH3+ 153:sc= 0.785 (180deg=0.369) USER MOD Single : A 2 SER OG : rot -151:sc= 0.554 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 137:sc= -0.376 (180deg=-0.763) USER MOD Single : A 7 THR OG1 : rot 156:sc= 0.206 USER MOD Single : A 8 THR OG1 : rot 79:sc= 0.813 USER MOD Single : A 9 MET CE :methyl -162:sc= -0.0938 (180deg=-1.01) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 75:sc= -1.13 USER MOD Single : A 27 SER OG : rot 180:sc= -0.275 USER MOD Single : A 30 GLN : amide:sc= -1.94! C(o=-1.9!,f=-4.1!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0.00013 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -167:sc= -0.0649 (180deg=-0.4) USER MOD Single : A 70 THR OG1 : rot 95:sc= 0.594 USER MOD Single : A 71 GLN : amide:sc= -0.0742 X(o=-0.074,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.332 11.190 4.109 1.00100.00 N ATOM 2 CA GLY A 1 -21.092 10.412 3.916 1.00100.00 C ATOM 3 C GLY A 1 -20.149 11.216 3.088 1.00100.00 C ATOM 4 O GLY A 1 -20.270 11.230 1.862 1.00100.00 O ATOM 0 H1 GLY A 1 -23.130 10.540 4.259 1.00100.00 H new ATOM 0 H2 GLY A 1 -22.228 11.808 4.939 1.00100.00 H new ATOM 0 H3 GLY A 1 -22.512 11.771 3.265 1.00100.00 H new ATOM 0 HA2 GLY A 1 -20.641 10.174 4.879 1.00100.00 H new ATOM 0 HA3 GLY A 1 -21.313 9.464 3.425 1.00100.00 H new ATOM 10 N SER A 2 -19.045 11.659 3.739 1.00100.00 N ATOM 11 CA SER A 2 -18.000 12.468 3.151 1.00100.00 C ATOM 12 C SER A 2 -18.563 13.719 2.508 1.00100.00 C ATOM 13 O SER A 2 -18.297 14.007 1.341 1.00100.00 O ATOM 14 CB SER A 2 -17.085 11.669 2.176 1.00100.00 C ATOM 15 OG SER A 2 -15.957 12.444 1.835 1.00100.00 O ATOM 0 H SER A 2 -18.872 11.444 4.721 1.00100.00 H new ATOM 0 HA SER A 2 -17.355 12.782 3.971 1.00100.00 H new ATOM 0 HB2 SER A 2 -16.769 10.736 2.642 1.00100.00 H new ATOM 0 HB3 SER A 2 -17.641 11.404 1.277 1.00100.00 H new ATOM 0 HG SER A 2 -15.641 12.188 0.943 1.00100.00 H new ATOM 21 N THR A 3 -19.383 14.479 3.290 1.00100.00 N ATOM 22 CA THR A 3 -20.073 15.709 2.928 1.00100.00 C ATOM 23 C THR A 3 -21.237 15.406 2.016 1.00100.00 C ATOM 24 O THR A 3 -22.372 15.768 2.330 1.00100.00 O ATOM 25 CB THR A 3 -19.168 16.798 2.355 1.00100.00 C ATOM 26 OG1 THR A 3 -18.134 17.077 3.273 1.00100.00 O ATOM 27 CG2 THR A 3 -19.966 18.075 2.094 1.00100.00 C ATOM 0 H THR A 3 -19.579 14.211 4.254 1.00100.00 H new ATOM 0 HA THR A 3 -20.449 16.133 3.859 1.00100.00 H new ATOM 0 HB THR A 3 -18.748 16.445 1.413 1.00100.00 H new ATOM 0 HG1 THR A 3 -17.551 17.774 2.907 1.00100.00 H new ATOM 0 HG21 THR A 3 -19.305 18.840 1.686 1.00100.00 H new ATOM 0 HG22 THR A 3 -20.763 17.866 1.381 1.00100.00 H new ATOM 0 HG23 THR A 3 -20.399 18.431 3.029 1.00100.00 H new ATOM 35 N ALA A 4 -20.984 14.699 0.893 1.00100.00 N ATOM 36 CA ALA A 4 -21.974 14.305 -0.072 1.00100.00 C ATOM 37 C ALA A 4 -22.823 13.215 0.513 1.00100.00 C ATOM 38 O ALA A 4 -22.529 12.666 1.576 1.00100.00 O ATOM 39 CB ALA A 4 -21.361 13.765 -1.377 1.00100.00 C ATOM 0 H ALA A 4 -20.045 14.387 0.646 1.00100.00 H new ATOM 0 HA ALA A 4 -22.553 15.198 -0.309 1.00100.00 H new ATOM 0 HB1 ALA A 4 -22.159 13.484 -2.065 1.00100.00 H new ATOM 0 HB2 ALA A 4 -20.742 14.537 -1.835 1.00100.00 H new ATOM 0 HB3 ALA A 4 -20.748 12.891 -1.157 1.00100.00 H new ATOM 45 N MET A 5 -23.955 12.913 -0.153 1.00100.00 N ATOM 46 CA MET A 5 -24.850 11.890 0.305 1.00100.00 C ATOM 47 C MET A 5 -24.325 10.581 -0.225 1.00100.00 C ATOM 48 O MET A 5 -24.534 10.295 -1.404 1.00100.00 O ATOM 49 CB MET A 5 -26.291 12.084 -0.217 1.00100.00 C ATOM 50 CG MET A 5 -26.938 13.342 0.367 1.00100.00 C ATOM 51 SD MET A 5 -26.163 14.917 -0.086 1.00100.00 S ATOM 52 CE MET A 5 -26.283 14.811 -1.890 1.00100.00 C ATOM 0 H MET A 5 -24.252 13.378 -1.011 1.00100.00 H new ATOM 0 HA MET A 5 -24.893 11.922 1.394 1.00100.00 H new ATOM 0 HB2 MET A 5 -26.278 12.152 -1.305 1.00100.00 H new ATOM 0 HB3 MET A 5 -26.892 11.212 0.041 1.00100.00 H new ATOM 0 HG2 MET A 5 -27.981 13.369 0.053 1.00100.00 H new ATOM 0 HG3 MET A 5 -26.935 13.257 1.454 1.00100.00 H new ATOM 0 HE1 MET A 5 -26.598 15.774 -2.291 1.00100.00 H new ATOM 0 HE2 MET A 5 -25.310 14.546 -2.304 1.00100.00 H new ATOM 0 HE3 MET A 5 -27.013 14.048 -2.162 1.00100.00 H new ATOM 62 N ALA A 6 -23.229 10.112 0.432 1.00100.00 N ATOM 63 CA ALA A 6 -22.507 8.885 0.178 1.00100.00 C ATOM 64 C ALA A 6 -22.095 8.699 -1.266 1.00100.00 C ATOM 65 O ALA A 6 -22.161 7.601 -1.824 1.00100.00 O ATOM 66 CB ALA A 6 -23.256 7.642 0.714 1.00100.00 C ATOM 0 H ALA A 6 -22.817 10.637 1.204 1.00100.00 H new ATOM 0 HA ALA A 6 -21.580 8.987 0.742 1.00100.00 H new ATOM 0 HB1 ALA A 6 -22.674 6.746 0.499 1.00100.00 H new ATOM 0 HB2 ALA A 6 -23.393 7.736 1.791 1.00100.00 H new ATOM 0 HB3 ALA A 6 -24.230 7.567 0.230 1.00100.00 H new ATOM 72 N THR A 7 -21.659 9.822 -1.889 1.00100.00 N ATOM 73 CA THR A 7 -21.200 9.948 -3.254 1.00100.00 C ATOM 74 C THR A 7 -22.143 9.428 -4.322 1.00100.00 C ATOM 75 O THR A 7 -21.724 8.895 -5.352 1.00100.00 O ATOM 76 CB THR A 7 -19.774 9.476 -3.468 1.00100.00 C ATOM 77 OG1 THR A 7 -19.633 8.115 -3.126 1.00100.00 O ATOM 78 CG2 THR A 7 -18.889 10.345 -2.572 1.00100.00 C ATOM 0 H THR A 7 -21.625 10.715 -1.397 1.00100.00 H new ATOM 0 HA THR A 7 -21.201 11.028 -3.398 1.00100.00 H new ATOM 0 HB THR A 7 -19.491 9.569 -4.517 1.00100.00 H new ATOM 0 HG1 THR A 7 -18.872 7.733 -3.611 1.00100.00 H new ATOM 0 HG21 THR A 7 -17.848 10.045 -2.689 1.00100.00 H new ATOM 0 HG22 THR A 7 -18.999 11.391 -2.857 1.00100.00 H new ATOM 0 HG23 THR A 7 -19.189 10.218 -1.532 1.00100.00 H new ATOM 86 N THR A 8 -23.460 9.620 -4.095 1.00100.00 N ATOM 87 CA THR A 8 -24.521 9.219 -4.987 1.00100.00 C ATOM 88 C THR A 8 -24.492 9.993 -6.290 1.00100.00 C ATOM 89 O THR A 8 -24.674 9.405 -7.357 1.00100.00 O ATOM 90 CB THR A 8 -25.886 9.347 -4.327 1.00100.00 C ATOM 91 OG1 THR A 8 -25.919 8.538 -3.172 1.00100.00 O ATOM 92 CG2 THR A 8 -26.995 8.898 -5.277 1.00100.00 C ATOM 0 H THR A 8 -23.805 10.076 -3.250 1.00100.00 H new ATOM 0 HA THR A 8 -24.349 8.168 -5.219 1.00100.00 H new ATOM 0 HB THR A 8 -26.048 10.393 -4.067 1.00100.00 H new ATOM 0 HG1 THR A 8 -25.455 8.994 -2.440 1.00100.00 H new ATOM 0 HG21 THR A 8 -27.961 8.999 -4.782 1.00100.00 H new ATOM 0 HG22 THR A 8 -26.980 9.518 -6.173 1.00100.00 H new ATOM 0 HG23 THR A 8 -26.837 7.856 -5.554 1.00100.00 H new ATOM 100 N MET A 9 -24.185 11.312 -6.217 1.00100.00 N ATOM 101 CA MET A 9 -24.193 12.221 -7.341 1.00100.00 C ATOM 102 C MET A 9 -23.264 11.827 -8.466 1.00100.00 C ATOM 103 O MET A 9 -23.719 11.775 -9.610 1.00100.00 O ATOM 104 CB MET A 9 -23.884 13.655 -6.855 1.00100.00 C ATOM 105 CG MET A 9 -24.075 14.690 -7.962 1.00100.00 C ATOM 106 SD MET A 9 -25.795 14.981 -8.449 1.00100.00 S ATOM 107 CE MET A 9 -25.830 14.050 -10.000 1.00100.00 C ATOM 0 H MET A 9 -23.921 11.764 -5.342 1.00100.00 H new ATOM 0 HA MET A 9 -25.196 12.174 -7.766 1.00100.00 H new ATOM 0 HB2 MET A 9 -24.533 13.900 -6.014 1.00100.00 H new ATOM 0 HB3 MET A 9 -22.858 13.700 -6.490 1.00100.00 H new ATOM 0 HG2 MET A 9 -23.641 15.635 -7.634 1.00100.00 H new ATOM 0 HG3 MET A 9 -23.514 14.369 -8.840 1.00100.00 H new ATOM 0 HE1 MET A 9 -26.686 14.367 -10.596 1.00100.00 H new ATOM 0 HE2 MET A 9 -24.912 14.236 -10.557 1.00100.00 H new ATOM 0 HE3 MET A 9 -25.914 12.985 -9.783 1.00100.00 H new ATOM 117 N GLU A 10 -22.008 11.413 -8.158 1.00100.00 N ATOM 118 CA GLU A 10 -21.024 10.966 -9.128 1.00100.00 C ATOM 119 C GLU A 10 -20.714 11.936 -10.258 1.00100.00 C ATOM 120 O GLU A 10 -20.473 11.515 -11.395 1.00100.00 O ATOM 121 CB GLU A 10 -21.393 9.584 -9.752 1.00100.00 C ATOM 122 CG GLU A 10 -21.514 8.528 -8.655 1.00100.00 C ATOM 123 CD GLU A 10 -21.797 7.151 -9.243 1.00100.00 C ATOM 124 OE1 GLU A 10 -22.638 7.084 -10.164 1.00100.00 O ATOM 125 OE2 GLU A 10 -21.164 6.188 -8.756 1.00100.00 O ATOM 0 H GLU A 10 -21.661 11.387 -7.199 1.00100.00 H new ATOM 0 HA GLU A 10 -20.120 10.890 -8.524 1.00100.00 H new ATOM 0 HB2 GLU A 10 -22.333 9.662 -10.298 1.00100.00 H new ATOM 0 HB3 GLU A 10 -20.631 9.286 -10.472 1.00100.00 H new ATOM 0 HG2 GLU A 10 -20.592 8.496 -8.075 1.00100.00 H new ATOM 0 HG3 GLU A 10 -22.314 8.804 -7.968 1.00100.00 H new ATOM 132 N GLN A 11 -20.673 13.261 -9.980 1.00100.00 N ATOM 133 CA GLN A 11 -20.371 14.204 -11.037 1.00100.00 C ATOM 134 C GLN A 11 -19.003 14.827 -10.865 1.00100.00 C ATOM 135 O GLN A 11 -18.708 15.863 -11.465 1.00100.00 O ATOM 136 CB GLN A 11 -21.436 15.310 -11.283 1.00100.00 C ATOM 137 CG GLN A 11 -21.622 16.214 -10.072 1.00100.00 C ATOM 138 CD GLN A 11 -22.695 17.270 -10.313 1.00100.00 C ATOM 139 OE1 GLN A 11 -23.156 17.456 -11.438 1.00100.00 O ATOM 140 NE2 GLN A 11 -23.091 17.965 -9.244 1.00100.00 N ATOM 0 H GLN A 11 -20.841 13.672 -9.062 1.00100.00 H new ATOM 0 HA GLN A 11 -20.385 13.586 -11.935 1.00100.00 H new ATOM 0 HB2 GLN A 11 -21.139 15.913 -12.141 1.00100.00 H new ATOM 0 HB3 GLN A 11 -22.389 14.844 -11.535 1.00100.00 H new ATOM 0 HG2 GLN A 11 -21.894 15.610 -9.206 1.00100.00 H new ATOM 0 HG3 GLN A 11 -20.677 16.703 -9.835 1.00100.00 H new ATOM 0 HE21 GLN A 11 -22.679 17.775 -8.331 1.00100.00 H new ATOM 0 HE22 GLN A 11 -23.806 18.686 -9.341 1.00100.00 H new ATOM 149 N GLU A 12 -18.114 14.163 -10.083 1.00100.00 N ATOM 150 CA GLU A 12 -16.770 14.602 -9.780 1.00100.00 C ATOM 151 C GLU A 12 -16.691 15.978 -9.165 1.00100.00 C ATOM 152 O GLU A 12 -16.060 16.896 -9.697 1.00100.00 O ATOM 153 CB GLU A 12 -15.770 14.445 -10.956 1.00100.00 C ATOM 154 CG GLU A 12 -15.639 12.976 -11.359 1.00100.00 C ATOM 155 CD GLU A 12 -14.602 12.781 -12.459 1.00100.00 C ATOM 156 OE1 GLU A 12 -13.792 13.712 -12.663 1.00100.00 O ATOM 157 OE2 GLU A 12 -14.635 11.696 -13.076 1.00100.00 O ATOM 0 H GLU A 12 -18.345 13.274 -9.639 1.00100.00 H new ATOM 0 HA GLU A 12 -16.449 13.903 -9.008 1.00100.00 H new ATOM 0 HB2 GLU A 12 -16.109 15.033 -11.809 1.00100.00 H new ATOM 0 HB3 GLU A 12 -14.795 14.836 -10.666 1.00100.00 H new ATOM 0 HG2 GLU A 12 -15.360 12.384 -10.488 1.00100.00 H new ATOM 0 HG3 GLU A 12 -16.605 12.605 -11.701 1.00100.00 H new ATOM 164 N ILE A 13 -17.394 16.144 -8.018 1.00100.00 N ATOM 165 CA ILE A 13 -17.395 17.402 -7.311 1.00100.00 C ATOM 166 C ILE A 13 -16.554 17.318 -6.065 1.00100.00 C ATOM 167 O ILE A 13 -16.696 16.415 -5.238 1.00100.00 O ATOM 168 CB ILE A 13 -18.764 17.979 -6.967 1.00100.00 C ATOM 169 CG1 ILE A 13 -19.663 17.050 -6.136 1.00100.00 C ATOM 170 CG2 ILE A 13 -19.423 18.400 -8.276 1.00100.00 C ATOM 171 CD1 ILE A 13 -19.994 15.710 -6.793 1.00100.00 C ATOM 0 H ILE A 13 -17.958 15.414 -7.583 1.00100.00 H new ATOM 0 HA ILE A 13 -16.964 18.101 -8.028 1.00100.00 H new ATOM 0 HB ILE A 13 -18.619 18.836 -6.309 1.00100.00 H new ATOM 0 HG12 ILE A 13 -19.176 16.858 -5.180 1.00100.00 H new ATOM 0 HG13 ILE A 13 -20.596 17.571 -5.919 1.00100.00 H new ATOM 0 HG21 ILE A 13 -20.408 18.819 -8.069 1.00100.00 H new ATOM 0 HG22 ILE A 13 -18.806 19.151 -8.769 1.00100.00 H new ATOM 0 HG23 ILE A 13 -19.527 17.532 -8.927 1.00100.00 H new ATOM 0 HD11 ILE A 13 -20.632 15.127 -6.129 1.00100.00 H new ATOM 0 HD12 ILE A 13 -20.514 15.885 -7.735 1.00100.00 H new ATOM 0 HD13 ILE A 13 -19.072 15.161 -6.984 1.00100.00 H new ATOM 183 N CYS A 14 -15.586 18.254 -5.980 1.00100.00 N ATOM 184 CA CYS A 14 -14.665 18.391 -4.880 1.00100.00 C ATOM 185 C CYS A 14 -14.040 19.754 -4.983 1.00100.00 C ATOM 186 O CYS A 14 -14.175 20.457 -5.989 1.00100.00 O ATOM 187 CB CYS A 14 -13.506 17.365 -4.876 1.00100.00 C ATOM 188 SG CYS A 14 -12.506 17.430 -3.367 1.00100.00 S ATOM 0 H CYS A 14 -15.436 18.949 -6.711 1.00100.00 H new ATOM 0 HA CYS A 14 -15.242 18.227 -3.970 1.00100.00 H new ATOM 0 HB2 CYS A 14 -13.916 16.362 -4.990 1.00100.00 H new ATOM 0 HB3 CYS A 14 -12.864 17.547 -5.738 1.00100.00 H new ATOM 0 HG CYS A 14 -13.167 16.894 -2.385 1.00100.00 H new ATOM 193 N ALA A 15 -13.318 20.144 -3.910 1.00100.00 N ATOM 194 CA ALA A 15 -12.609 21.385 -3.785 1.00100.00 C ATOM 195 C ALA A 15 -11.542 21.470 -4.850 1.00100.00 C ATOM 196 O ALA A 15 -11.327 22.545 -5.409 1.00100.00 O ATOM 197 CB ALA A 15 -11.943 21.516 -2.410 1.00100.00 C ATOM 0 H ALA A 15 -13.225 19.557 -3.081 1.00100.00 H new ATOM 0 HA ALA A 15 -13.331 22.193 -3.901 1.00100.00 H new ATOM 0 HB1 ALA A 15 -11.415 22.468 -2.351 1.00100.00 H new ATOM 0 HB2 ALA A 15 -12.705 21.474 -1.631 1.00100.00 H new ATOM 0 HB3 ALA A 15 -11.235 20.699 -2.269 1.00100.00 H new ATOM 203 N HIS A 16 -10.851 20.336 -5.148 1.00100.00 N ATOM 204 CA HIS A 16 -9.830 20.331 -6.156 1.00100.00 C ATOM 205 C HIS A 16 -10.472 19.942 -7.468 1.00100.00 C ATOM 206 O HIS A 16 -10.677 20.823 -8.304 1.00100.00 O ATOM 207 CB HIS A 16 -8.677 19.367 -5.802 1.00100.00 C ATOM 208 CG HIS A 16 -7.478 19.455 -6.701 1.00100.00 C ATOM 209 ND1 HIS A 16 -6.505 20.428 -6.665 1.00100.00 N ATOM 210 CD2 HIS A 16 -7.118 18.536 -7.649 1.00100.00 C ATOM 211 CE1 HIS A 16 -5.580 20.095 -7.583 1.00100.00 C ATOM 212 NE2 HIS A 16 -5.907 18.951 -8.208 1.00100.00 N ATOM 0 H HIS A 16 -11.003 19.436 -4.692 1.00100.00 H new ATOM 0 HA HIS A 16 -9.389 21.325 -6.228 1.00100.00 H new ATOM 0 HB2 HIS A 16 -8.360 19.564 -4.778 1.00100.00 H new ATOM 0 HB3 HIS A 16 -9.057 18.346 -5.827 1.00100.00 H new ATOM 0 HD2 HIS A 16 -7.671 17.648 -7.917 1.00100.00 H new ATOM 0 HE1 HIS A 16 -4.691 20.672 -7.791 1.00100.00 H new ATOM 0 HE2 HIS A 16 -5.378 18.481 -8.942 1.00100.00 H new ATOM 220 N SER A 17 -10.824 18.637 -7.676 1.00100.00 N ATOM 221 CA SER A 17 -11.425 18.230 -8.925 1.00100.00 C ATOM 222 C SER A 17 -12.250 16.973 -8.875 1.00100.00 C ATOM 223 O SER A 17 -13.312 16.913 -9.494 1.00100.00 O ATOM 224 CB SER A 17 -10.378 18.027 -10.056 1.00100.00 C ATOM 225 OG SER A 17 -9.485 16.989 -9.713 1.00100.00 O ATOM 0 H SER A 17 -10.695 17.888 -6.996 1.00100.00 H new ATOM 0 HA SER A 17 -12.089 19.069 -9.134 1.00100.00 H new ATOM 0 HB2 SER A 17 -10.884 17.787 -10.991 1.00100.00 H new ATOM 0 HB3 SER A 17 -9.826 18.952 -10.221 1.00100.00 H new ATOM 0 HG SER A 17 -8.831 16.869 -10.433 1.00100.00 H new ATOM 231 N MET A 18 -11.785 15.957 -8.112 1.00100.00 N ATOM 232 CA MET A 18 -12.398 14.651 -8.020 1.00100.00 C ATOM 233 C MET A 18 -13.602 14.541 -7.123 1.00100.00 C ATOM 234 O MET A 18 -14.372 15.495 -7.073 1.00100.00 O ATOM 235 CB MET A 18 -11.348 13.565 -7.692 1.00100.00 C ATOM 236 CG MET A 18 -10.218 13.593 -8.716 1.00100.00 C ATOM 237 SD MET A 18 -10.771 13.311 -10.416 1.00100.00 S ATOM 238 CE MET A 18 -9.196 13.584 -11.265 1.00100.00 C ATOM 0 H MET A 18 -10.949 16.046 -7.535 1.00100.00 H new ATOM 0 HA MET A 18 -12.804 14.480 -9.017 1.00100.00 H new ATOM 0 HB2 MET A 18 -10.946 13.729 -6.692 1.00100.00 H new ATOM 0 HB3 MET A 18 -11.820 12.583 -7.688 1.00100.00 H new ATOM 0 HG2 MET A 18 -9.715 14.558 -8.662 1.00100.00 H new ATOM 0 HG3 MET A 18 -9.481 12.834 -8.452 1.00100.00 H new ATOM 0 HE1 MET A 18 -9.334 13.453 -12.338 1.00100.00 H new ATOM 0 HE2 MET A 18 -8.845 14.597 -11.065 1.00100.00 H new ATOM 0 HE3 MET A 18 -8.459 12.867 -10.904 1.00100.00 H new ATOM 248 N THR A 19 -14.103 13.290 -6.968 1.00100.00 N ATOM 249 CA THR A 19 -15.256 12.961 -6.162 1.00100.00 C ATOM 250 C THR A 19 -14.945 13.076 -4.693 1.00100.00 C ATOM 251 O THR A 19 -13.779 13.111 -4.298 1.00100.00 O ATOM 252 CB THR A 19 -15.763 11.546 -6.400 1.00100.00 C ATOM 253 OG1 THR A 19 -14.747 10.621 -6.080 1.00100.00 O ATOM 254 CG2 THR A 19 -16.180 11.365 -7.858 1.00100.00 C ATOM 0 H THR A 19 -13.689 12.476 -7.422 1.00100.00 H new ATOM 0 HA THR A 19 -16.023 13.676 -6.460 1.00100.00 H new ATOM 0 HB THR A 19 -16.631 11.373 -5.764 1.00100.00 H new ATOM 0 HG1 THR A 19 -15.074 9.710 -6.232 1.00100.00 H new ATOM 0 HG21 THR A 19 -16.540 10.347 -8.010 1.00100.00 H new ATOM 0 HG22 THR A 19 -16.975 12.071 -8.099 1.00100.00 H new ATOM 0 HG23 THR A 19 -15.323 11.548 -8.507 1.00100.00 H new ATOM 262 N PHE A 20 -16.004 13.141 -3.845 1.00100.00 N ATOM 263 CA PHE A 20 -15.845 13.220 -2.409 1.00100.00 C ATOM 264 C PHE A 20 -15.164 12.010 -1.822 1.00100.00 C ATOM 265 O PHE A 20 -14.584 12.109 -0.739 1.00100.00 O ATOM 266 CB PHE A 20 -17.119 13.547 -1.613 1.00100.00 C ATOM 267 CG PHE A 20 -17.408 15.028 -1.642 1.00100.00 C ATOM 268 CD1 PHE A 20 -16.619 15.896 -0.874 1.00100.00 C ATOM 269 CD2 PHE A 20 -18.420 15.543 -2.463 1.00100.00 C ATOM 270 CE1 PHE A 20 -16.849 17.277 -0.915 1.00100.00 C ATOM 271 CE2 PHE A 20 -18.658 16.924 -2.494 1.00100.00 C ATOM 272 CZ PHE A 20 -17.871 17.791 -1.723 1.00100.00 C ATOM 0 H PHE A 20 -16.976 13.139 -4.156 1.00100.00 H new ATOM 0 HA PHE A 20 -15.192 14.085 -2.295 1.00100.00 H new ATOM 0 HB2 PHE A 20 -17.964 12.999 -2.031 1.00100.00 H new ATOM 0 HB3 PHE A 20 -17.003 13.215 -0.581 1.00100.00 H new ATOM 0 HD1 PHE A 20 -15.832 15.499 -0.250 1.00100.00 H new ATOM 0 HD2 PHE A 20 -19.015 14.877 -3.071 1.00100.00 H new ATOM 0 HE1 PHE A 20 -16.239 17.945 -0.324 1.00100.00 H new ATOM 0 HE2 PHE A 20 -19.449 17.321 -3.113 1.00100.00 H new ATOM 0 HZ PHE A 20 -18.053 18.855 -1.752 1.00100.00 H new ATOM 282 N GLU A 21 -15.221 10.841 -2.512 1.00100.00 N ATOM 283 CA GLU A 21 -14.546 9.629 -2.091 1.00100.00 C ATOM 284 C GLU A 21 -13.055 9.897 -2.115 1.00100.00 C ATOM 285 O GLU A 21 -12.332 9.522 -1.191 1.00100.00 O ATOM 286 CB GLU A 21 -14.772 8.444 -3.050 1.00100.00 C ATOM 287 CG GLU A 21 -16.251 8.174 -3.310 1.00100.00 C ATOM 288 CD GLU A 21 -16.450 6.877 -4.084 1.00100.00 C ATOM 289 OE1 GLU A 21 -15.620 6.613 -4.980 1.00100.00 O ATOM 290 OE2 GLU A 21 -17.434 6.175 -3.765 1.00100.00 O ATOM 0 H GLU A 21 -15.746 10.734 -3.380 1.00100.00 H new ATOM 0 HA GLU A 21 -14.940 9.371 -1.108 1.00100.00 H new ATOM 0 HB2 GLU A 21 -14.272 8.647 -3.997 1.00100.00 H new ATOM 0 HB3 GLU A 21 -14.311 7.549 -2.631 1.00100.00 H new ATOM 0 HG2 GLU A 21 -16.785 8.119 -2.361 1.00100.00 H new ATOM 0 HG3 GLU A 21 -16.681 9.004 -3.870 1.00100.00 H new ATOM 297 N GLU A 22 -12.593 10.598 -3.181 1.00100.00 N ATOM 298 CA GLU A 22 -11.214 10.953 -3.393 1.00100.00 C ATOM 299 C GLU A 22 -10.898 12.344 -2.889 1.00100.00 C ATOM 300 O GLU A 22 -9.799 12.847 -3.130 1.00100.00 O ATOM 301 CB GLU A 22 -10.803 10.848 -4.883 1.00100.00 C ATOM 302 CG GLU A 22 -10.897 9.405 -5.374 1.00100.00 C ATOM 303 CD GLU A 22 -9.927 8.497 -4.628 1.00100.00 C ATOM 304 OE1 GLU A 22 -8.805 8.968 -4.342 1.00100.00 O ATOM 305 OE2 GLU A 22 -10.325 7.343 -4.360 1.00100.00 O ATOM 0 H GLU A 22 -13.208 10.930 -3.924 1.00100.00 H new ATOM 0 HA GLU A 22 -10.636 10.230 -2.818 1.00100.00 H new ATOM 0 HB2 GLU A 22 -11.448 11.485 -5.488 1.00100.00 H new ATOM 0 HB3 GLU A 22 -9.784 11.214 -5.010 1.00100.00 H new ATOM 0 HG2 GLU A 22 -11.915 9.040 -5.240 1.00100.00 H new ATOM 0 HG3 GLU A 22 -10.683 9.368 -6.442 1.00100.00 H new ATOM 312 N CYS A 23 -11.836 12.991 -2.141 1.00100.00 N ATOM 313 CA CYS A 23 -11.664 14.322 -1.604 1.00100.00 C ATOM 314 C CYS A 23 -10.477 14.404 -0.675 1.00100.00 C ATOM 315 O CYS A 23 -9.760 15.397 -0.809 1.00100.00 O ATOM 316 CB CYS A 23 -12.905 14.901 -0.887 1.00100.00 C ATOM 317 SG CYS A 23 -12.546 16.542 -0.211 1.00100.00 S ATOM 0 H CYS A 23 -12.737 12.574 -1.905 1.00100.00 H new ATOM 0 HA CYS A 23 -11.495 14.937 -2.488 1.00100.00 H new ATOM 0 HB2 CYS A 23 -13.739 14.965 -1.586 1.00100.00 H new ATOM 0 HB3 CYS A 23 -13.213 14.231 -0.084 1.00100.00 H new ATOM 0 HG CYS A 23 -12.249 17.355 -1.181 1.00100.00 H new ATOM 322 N PRO A 24 -10.196 13.435 0.267 1.00100.00 N ATOM 323 CA PRO A 24 -9.022 13.512 1.116 1.00100.00 C ATOM 324 C PRO A 24 -7.750 13.520 0.306 1.00100.00 C ATOM 325 O PRO A 24 -6.818 14.228 0.691 1.00100.00 O ATOM 326 CB PRO A 24 -9.103 12.326 2.069 1.00100.00 C ATOM 327 CG PRO A 24 -10.589 11.959 2.053 1.00100.00 C ATOM 328 CD PRO A 24 -11.030 12.312 0.633 1.00100.00 C ATOM 0 HA PRO A 24 -9.001 14.446 1.678 1.00100.00 H new ATOM 0 HB2 PRO A 24 -8.481 11.497 1.732 1.00100.00 H new ATOM 0 HB3 PRO A 24 -8.765 12.592 3.071 1.00100.00 H new ATOM 0 HG2 PRO A 24 -10.743 10.902 2.270 1.00100.00 H new ATOM 0 HG3 PRO A 24 -11.149 12.523 2.799 1.00100.00 H new ATOM 0 HD2 PRO A 24 -10.888 11.473 -0.048 1.00100.00 H new ATOM 0 HD3 PRO A 24 -12.087 12.574 0.599 1.00100.00 H new ATOM 336 N LYS A 25 -7.708 12.734 -0.803 1.00100.00 N ATOM 337 CA LYS A 25 -6.580 12.649 -1.697 1.00100.00 C ATOM 338 C LYS A 25 -6.349 13.985 -2.355 1.00100.00 C ATOM 339 O LYS A 25 -5.218 14.463 -2.404 1.00100.00 O ATOM 340 CB LYS A 25 -6.796 11.629 -2.834 1.00100.00 C ATOM 341 CG LYS A 25 -5.557 11.535 -3.727 1.00100.00 C ATOM 342 CD LYS A 25 -5.797 10.556 -4.874 1.00100.00 C ATOM 343 CE LYS A 25 -6.846 11.122 -5.829 1.00100.00 C ATOM 344 NZ LYS A 25 -7.089 10.205 -6.952 1.00100.00 N ATOM 0 H LYS A 25 -8.487 12.139 -1.084 1.00100.00 H new ATOM 0 HA LYS A 25 -5.733 12.336 -1.087 1.00100.00 H new ATOM 0 HB2 LYS A 25 -7.020 10.649 -2.411 1.00100.00 H new ATOM 0 HB3 LYS A 25 -7.659 11.923 -3.432 1.00100.00 H new ATOM 0 HG2 LYS A 25 -5.314 12.520 -4.126 1.00100.00 H new ATOM 0 HG3 LYS A 25 -4.700 11.210 -3.137 1.00100.00 H new ATOM 0 HD2 LYS A 25 -4.865 10.374 -5.410 1.00100.00 H new ATOM 0 HD3 LYS A 25 -6.131 9.596 -4.480 1.00100.00 H new ATOM 0 HE2 LYS A 25 -7.777 11.296 -5.290 1.00100.00 H new ATOM 0 HE3 LYS A 25 -6.513 12.088 -6.209 1.00100.00 H new ATOM 0 HZ1 LYS A 25 -7.806 10.614 -7.585 1.00100.00 H new ATOM 0 HZ2 LYS A 25 -6.204 10.059 -7.479 1.00100.00 H new ATOM 0 HZ3 LYS A 25 -7.429 9.292 -6.588 1.00100.00 H new ATOM 358 N CYS A 26 -7.445 14.625 -2.834 1.00100.00 N ATOM 359 CA CYS A 26 -7.425 15.904 -3.496 1.00100.00 C ATOM 360 C CYS A 26 -6.912 16.972 -2.577 1.00100.00 C ATOM 361 O CYS A 26 -6.112 17.819 -2.988 1.00100.00 O ATOM 362 CB CYS A 26 -8.821 16.314 -3.986 1.00100.00 C ATOM 363 SG CYS A 26 -9.294 15.302 -5.407 1.00100.00 S ATOM 0 H CYS A 26 -8.383 14.233 -2.756 1.00100.00 H new ATOM 0 HA CYS A 26 -6.762 15.800 -4.355 1.00100.00 H new ATOM 0 HB2 CYS A 26 -9.548 16.192 -3.183 1.00100.00 H new ATOM 0 HB3 CYS A 26 -8.824 17.368 -4.262 1.00100.00 H new ATOM 0 HG CYS A 26 -9.616 14.109 -5.002 1.00100.00 H new ATOM 369 N SER A 27 -7.365 16.925 -1.300 1.00100.00 N ATOM 370 CA SER A 27 -6.972 17.851 -0.283 1.00100.00 C ATOM 371 C SER A 27 -5.506 17.731 -0.013 1.00100.00 C ATOM 372 O SER A 27 -4.819 18.742 0.055 1.00100.00 O ATOM 373 CB SER A 27 -7.726 17.652 1.031 1.00100.00 C ATOM 374 OG SER A 27 -7.405 18.695 1.922 1.00100.00 O ATOM 0 H SER A 27 -8.024 16.219 -0.972 1.00100.00 H new ATOM 0 HA SER A 27 -7.217 18.842 -0.664 1.00100.00 H new ATOM 0 HB2 SER A 27 -8.800 17.635 0.847 1.00100.00 H new ATOM 0 HB3 SER A 27 -7.463 16.690 1.471 1.00100.00 H new ATOM 0 HG SER A 27 -7.890 18.567 2.764 1.00100.00 H new ATOM 380 N ALA A 28 -5.000 16.485 0.100 1.00100.00 N ATOM 381 CA ALA A 28 -3.613 16.204 0.351 1.00100.00 C ATOM 382 C ALA A 28 -2.727 16.671 -0.769 1.00100.00 C ATOM 383 O ALA A 28 -1.649 17.215 -0.523 1.00100.00 O ATOM 384 CB ALA A 28 -3.347 14.702 0.554 1.00100.00 C ATOM 0 H ALA A 28 -5.573 15.646 0.014 1.00100.00 H new ATOM 0 HA ALA A 28 -3.378 16.749 1.265 1.00100.00 H new ATOM 0 HB1 ALA A 28 -2.285 14.542 0.740 1.00100.00 H new ATOM 0 HB2 ALA A 28 -3.923 14.342 1.407 1.00100.00 H new ATOM 0 HB3 ALA A 28 -3.644 14.156 -0.341 1.00100.00 H new ATOM 390 N LEU A 29 -3.192 16.481 -2.025 1.00100.00 N ATOM 391 CA LEU A 29 -2.461 16.828 -3.214 1.00100.00 C ATOM 392 C LEU A 29 -2.130 18.280 -3.334 1.00100.00 C ATOM 393 O LEU A 29 -0.961 18.595 -3.567 1.00100.00 O ATOM 394 CB LEU A 29 -3.239 16.491 -4.508 1.00100.00 C ATOM 395 CG LEU A 29 -2.706 15.236 -5.203 1.00100.00 C ATOM 396 CD1 LEU A 29 -2.645 14.026 -4.272 1.00100.00 C ATOM 397 CD2 LEU A 29 -3.631 14.914 -6.376 1.00100.00 C ATOM 0 H LEU A 29 -4.106 16.073 -2.219 1.00100.00 H new ATOM 0 HA LEU A 29 -1.551 16.237 -3.110 1.00100.00 H new ATOM 0 HB2 LEU A 29 -4.293 16.350 -4.268 1.00100.00 H new ATOM 0 HB3 LEU A 29 -3.179 17.336 -5.194 1.00100.00 H new ATOM 0 HG LEU A 29 -1.687 15.440 -5.533 1.00100.00 H new ATOM 0 HD11 LEU A 29 -2.260 13.165 -4.819 1.00100.00 H new ATOM 0 HD12 LEU A 29 -1.987 14.246 -3.432 1.00100.00 H new ATOM 0 HD13 LEU A 29 -3.645 13.802 -3.901 1.00100.00 H new ATOM 0 HD21 LEU A 29 -3.272 14.022 -6.888 1.00100.00 H new ATOM 0 HD22 LEU A 29 -4.641 14.738 -6.005 1.00100.00 H new ATOM 0 HD23 LEU A 29 -3.641 15.753 -7.072 1.00100.00 H new ATOM 409 N GLN A 30 -3.134 19.193 -3.190 1.00100.00 N ATOM 410 CA GLN A 30 -2.855 20.608 -3.344 1.00100.00 C ATOM 411 C GLN A 30 -2.663 21.324 -2.031 1.00100.00 C ATOM 412 O GLN A 30 -1.952 22.327 -1.986 1.00100.00 O ATOM 413 CB GLN A 30 -3.945 21.383 -4.139 1.00100.00 C ATOM 414 CG GLN A 30 -3.611 22.858 -4.374 1.00100.00 C ATOM 415 CD GLN A 30 -4.772 23.582 -5.047 1.00100.00 C ATOM 416 OE1 GLN A 30 -5.755 23.921 -4.391 1.00100.00 O ATOM 417 NE2 GLN A 30 -4.657 23.833 -6.353 1.00100.00 N ATOM 0 H GLN A 30 -4.104 18.963 -2.975 1.00100.00 H new ATOM 0 HA GLN A 30 -1.924 20.611 -3.911 1.00100.00 H new ATOM 0 HB2 GLN A 30 -4.093 20.896 -5.103 1.00100.00 H new ATOM 0 HB3 GLN A 30 -4.890 21.316 -3.600 1.00100.00 H new ATOM 0 HG2 GLN A 30 -3.381 23.338 -3.423 1.00100.00 H new ATOM 0 HG3 GLN A 30 -2.719 22.938 -4.995 1.00100.00 H new ATOM 0 HE21 GLN A 30 -3.823 23.533 -6.858 1.00100.00 H new ATOM 0 HE22 GLN A 30 -5.403 24.324 -6.845 1.00100.00 H new ATOM 426 N TYR A 31 -3.232 20.798 -0.924 1.00100.00 N ATOM 427 CA TYR A 31 -3.190 21.355 0.414 1.00100.00 C ATOM 428 C TYR A 31 -4.104 22.536 0.608 1.00100.00 C ATOM 429 O TYR A 31 -4.913 22.491 1.533 1.00100.00 O ATOM 430 CB TYR A 31 -1.803 21.778 0.976 1.00100.00 C ATOM 431 CG TYR A 31 -0.803 20.647 0.950 1.00100.00 C ATOM 432 CD1 TYR A 31 -0.862 19.642 1.927 1.00100.00 C ATOM 433 CD2 TYR A 31 0.163 20.586 -0.063 1.00100.00 C ATOM 434 CE1 TYR A 31 0.048 18.578 1.898 1.00100.00 C ATOM 435 CE2 TYR A 31 1.077 19.525 -0.101 1.00100.00 C ATOM 436 CZ TYR A 31 1.023 18.516 0.881 1.00100.00 C ATOM 437 OH TYR A 31 1.909 17.480 0.847 1.00100.00 O ATOM 0 H TYR A 31 -3.758 19.925 -0.960 1.00100.00 H new ATOM 0 HA TYR A 31 -3.522 20.482 0.976 1.00100.00 H new ATOM 0 HB2 TYR A 31 -1.417 22.614 0.393 1.00100.00 H new ATOM 0 HB3 TYR A 31 -1.921 22.131 2.000 1.00100.00 H new ATOM 0 HD1 TYR A 31 -1.611 19.689 2.704 1.00100.00 H new ATOM 0 HD2 TYR A 31 0.203 21.359 -0.816 1.00100.00 H new ATOM 0 HE1 TYR A 31 0.003 17.807 2.653 1.00100.00 H new ATOM 0 HE2 TYR A 31 1.822 19.481 -0.882 1.00100.00 H new ATOM 0 HH TYR A 31 2.511 17.590 0.082 1.00100.00 H new ATOM 447 N ARG A 32 -4.010 23.605 -0.235 1.00100.00 N ATOM 448 CA ARG A 32 -4.837 24.787 -0.101 1.00100.00 C ATOM 449 C ARG A 32 -6.286 24.440 -0.303 1.00100.00 C ATOM 450 O ARG A 32 -7.066 24.541 0.645 1.00100.00 O ATOM 451 CB ARG A 32 -4.415 25.839 -1.150 1.00100.00 C ATOM 452 CG ARG A 32 -5.272 27.102 -1.077 1.00100.00 C ATOM 453 CD ARG A 32 -4.939 27.993 -2.271 1.00100.00 C ATOM 454 NE ARG A 32 -5.337 27.351 -3.528 1.00100.00 N ATOM 455 CZ ARG A 32 -4.745 27.574 -4.710 1.00100.00 C ATOM 456 NH1 ARG A 32 -3.715 28.424 -4.808 1.00100.00 N ATOM 457 NH2 ARG A 32 -5.191 26.940 -5.803 1.00100.00 N ATOM 0 H ARG A 32 -3.354 23.647 -1.015 1.00100.00 H new ATOM 0 HA ARG A 32 -4.705 25.192 0.902 1.00100.00 H new ATOM 0 HB2 ARG A 32 -3.368 26.103 -0.997 1.00100.00 H new ATOM 0 HB3 ARG A 32 -4.492 25.406 -2.148 1.00100.00 H new ATOM 0 HG2 ARG A 32 -6.330 26.841 -1.085 1.00100.00 H new ATOM 0 HG3 ARG A 32 -5.082 27.634 -0.145 1.00100.00 H new ATOM 0 HD2 ARG A 32 -5.449 28.951 -2.169 1.00100.00 H new ATOM 0 HD3 ARG A 32 -3.869 28.202 -2.287 1.00100.00 H new ATOM 0 HE ARG A 32 -6.115 26.692 -3.501 1.00100.00 H new ATOM 0 HH11 ARG A 32 -3.373 28.909 -3.978 1.00100.00 H new ATOM 0 HH12 ARG A 32 -3.272 28.586 -5.712 1.00100.00 H new ATOM 0 HH21 ARG A 32 -5.976 26.293 -5.732 1.00100.00 H new ATOM 0 HH22 ARG A 32 -4.745 27.105 -6.706 1.00100.00 H new ATOM 471 N ASN A 33 -6.658 23.995 -1.533 1.00100.00 N ATOM 472 CA ASN A 33 -7.985 23.560 -1.907 1.00100.00 C ATOM 473 C ASN A 33 -9.121 24.449 -1.469 1.00100.00 C ATOM 474 O ASN A 33 -10.128 23.975 -0.938 1.00100.00 O ATOM 475 CB ASN A 33 -8.207 22.067 -1.583 1.00100.00 C ATOM 476 CG ASN A 33 -7.223 21.260 -2.416 1.00100.00 C ATOM 477 OD1 ASN A 33 -7.309 21.262 -3.641 1.00100.00 O ATOM 478 ND2 ASN A 33 -6.264 20.608 -1.757 1.00100.00 N ATOM 0 H ASN A 33 -5.996 23.936 -2.307 1.00100.00 H new ATOM 0 HA ASN A 33 -8.014 23.669 -2.991 1.00100.00 H new ATOM 0 HB2 ASN A 33 -8.052 21.879 -0.521 1.00100.00 H new ATOM 0 HB3 ASN A 33 -9.232 21.774 -1.812 1.00100.00 H new ATOM 0 HD21 ASN A 33 -5.559 20.080 -2.272 1.00100.00 H new ATOM 0 HD22 ASN A 33 -6.235 20.637 -0.738 1.00100.00 H new ATOM 485 N GLY A 34 -8.974 25.775 -1.686 1.00100.00 N ATOM 486 CA GLY A 34 -9.983 26.736 -1.299 1.00100.00 C ATOM 487 C GLY A 34 -10.000 26.983 0.180 1.00100.00 C ATOM 488 O GLY A 34 -11.009 27.433 0.724 1.00100.00 O ATOM 0 H GLY A 34 -8.154 26.187 -2.131 1.00100.00 H new ATOM 0 HA2 GLY A 34 -9.804 27.677 -1.820 1.00100.00 H new ATOM 0 HA3 GLY A 34 -10.962 26.378 -1.616 1.00100.00 H new ATOM 492 N PHE A 35 -8.859 26.689 0.847 1.00100.00 N ATOM 493 CA PHE A 35 -8.628 26.820 2.258 1.00100.00 C ATOM 494 C PHE A 35 -9.612 26.053 3.101 1.00100.00 C ATOM 495 O PHE A 35 -10.066 26.506 4.154 1.00100.00 O ATOM 496 CB PHE A 35 -8.474 28.278 2.735 1.00100.00 C ATOM 497 CG PHE A 35 -7.316 28.992 2.082 1.00100.00 C ATOM 498 CD1 PHE A 35 -6.013 28.790 2.558 1.00100.00 C ATOM 499 CD2 PHE A 35 -7.542 29.844 0.992 1.00100.00 C ATOM 500 CE1 PHE A 35 -4.936 29.444 1.947 1.00100.00 C ATOM 501 CE2 PHE A 35 -6.464 30.497 0.380 1.00100.00 C ATOM 502 CZ PHE A 35 -5.162 30.297 0.857 1.00100.00 C ATOM 0 H PHE A 35 -8.038 26.333 0.358 1.00100.00 H new ATOM 0 HA PHE A 35 -7.656 26.351 2.412 1.00100.00 H new ATOM 0 HB2 PHE A 35 -9.395 28.822 2.525 1.00100.00 H new ATOM 0 HB3 PHE A 35 -8.337 28.288 3.816 1.00100.00 H new ATOM 0 HD1 PHE A 35 -5.840 28.130 3.395 1.00100.00 H new ATOM 0 HD2 PHE A 35 -8.546 29.997 0.624 1.00100.00 H new ATOM 0 HE1 PHE A 35 -3.932 29.292 2.315 1.00100.00 H new ATOM 0 HE2 PHE A 35 -6.637 31.154 -0.459 1.00100.00 H new ATOM 0 HZ PHE A 35 -4.331 30.800 0.385 1.00100.00 H new ATOM 512 N TYR A 36 -9.956 24.834 2.622 1.00100.00 N ATOM 513 CA TYR A 36 -10.835 23.905 3.289 1.00100.00 C ATOM 514 C TYR A 36 -10.182 23.512 4.603 1.00100.00 C ATOM 515 O TYR A 36 -10.846 23.464 5.641 1.00100.00 O ATOM 516 CB TYR A 36 -11.074 22.665 2.380 1.00100.00 C ATOM 517 CG TYR A 36 -11.870 21.577 3.057 1.00100.00 C ATOM 518 CD1 TYR A 36 -13.176 21.838 3.495 1.00100.00 C ATOM 519 CD2 TYR A 36 -11.300 20.311 3.255 1.00100.00 C ATOM 520 CE1 TYR A 36 -13.923 20.832 4.121 1.00100.00 C ATOM 521 CE2 TYR A 36 -12.038 19.300 3.882 1.00100.00 C ATOM 522 CZ TYR A 36 -13.356 19.556 4.315 1.00100.00 C ATOM 523 OH TYR A 36 -14.077 18.572 4.925 1.00100.00 O ATOM 0 H TYR A 36 -9.607 24.480 1.731 1.00100.00 H new ATOM 0 HA TYR A 36 -11.807 24.357 3.488 1.00100.00 H new ATOM 0 HB2 TYR A 36 -11.596 22.980 1.477 1.00100.00 H new ATOM 0 HB3 TYR A 36 -10.111 22.261 2.067 1.00100.00 H new ATOM 0 HD1 TYR A 36 -13.607 22.817 3.349 1.00100.00 H new ATOM 0 HD2 TYR A 36 -10.291 20.116 2.923 1.00100.00 H new ATOM 0 HE1 TYR A 36 -14.930 21.033 4.454 1.00100.00 H new ATOM 0 HE2 TYR A 36 -11.599 18.325 4.034 1.00100.00 H new ATOM 0 HH TYR A 36 -13.537 17.756 4.978 1.00100.00 H new ATOM 533 N LEU A 37 -8.852 23.251 4.567 1.00100.00 N ATOM 534 CA LEU A 37 -8.083 22.879 5.726 1.00100.00 C ATOM 535 C LEU A 37 -7.548 24.167 6.273 1.00100.00 C ATOM 536 O LEU A 37 -6.729 24.838 5.641 1.00100.00 O ATOM 537 CB LEU A 37 -6.833 22.026 5.407 1.00100.00 C ATOM 538 CG LEU A 37 -7.170 20.735 4.661 1.00100.00 C ATOM 539 CD1 LEU A 37 -5.863 19.980 4.414 1.00100.00 C ATOM 540 CD2 LEU A 37 -8.121 19.859 5.474 1.00100.00 C ATOM 0 H LEU A 37 -8.300 23.300 3.711 1.00100.00 H new ATOM 0 HA LEU A 37 -8.728 22.300 6.386 1.00100.00 H new ATOM 0 HB2 LEU A 37 -6.140 22.616 4.807 1.00100.00 H new ATOM 0 HB3 LEU A 37 -6.320 21.779 6.337 1.00100.00 H new ATOM 0 HG LEU A 37 -7.665 20.979 3.721 1.00100.00 H new ATOM 0 HD11 LEU A 37 -6.074 19.052 3.882 1.00100.00 H new ATOM 0 HD12 LEU A 37 -5.194 20.598 3.815 1.00100.00 H new ATOM 0 HD13 LEU A 37 -5.389 19.751 5.369 1.00100.00 H new ATOM 0 HD21 LEU A 37 -8.342 18.948 4.917 1.00100.00 H new ATOM 0 HD22 LEU A 37 -7.654 19.599 6.424 1.00100.00 H new ATOM 0 HD23 LEU A 37 -9.047 20.403 5.662 1.00100.00 H new ATOM 552 N LEU A 38 -8.021 24.516 7.485 1.00100.00 N ATOM 553 CA LEU A 38 -7.658 25.712 8.204 1.00100.00 C ATOM 554 C LEU A 38 -6.208 25.749 8.610 1.00100.00 C ATOM 555 O LEU A 38 -5.566 26.798 8.556 1.00100.00 O ATOM 556 CB LEU A 38 -8.495 25.934 9.476 1.00100.00 C ATOM 557 CG LEU A 38 -9.972 26.146 9.130 1.00100.00 C ATOM 558 CD1 LEU A 38 -10.767 26.293 10.426 1.00100.00 C ATOM 559 CD2 LEU A 38 -10.168 27.409 8.288 1.00100.00 C ATOM 0 H LEU A 38 -8.691 23.938 7.993 1.00100.00 H new ATOM 0 HA LEU A 38 -7.859 26.507 7.485 1.00100.00 H new ATOM 0 HB2 LEU A 38 -8.392 25.074 10.138 1.00100.00 H new ATOM 0 HB3 LEU A 38 -8.117 26.801 10.018 1.00100.00 H new ATOM 0 HG LEU A 38 -10.318 25.287 8.555 1.00100.00 H new ATOM 0 HD11 LEU A 38 -11.821 26.445 10.191 1.00100.00 H new ATOM 0 HD12 LEU A 38 -10.655 25.390 11.026 1.00100.00 H new ATOM 0 HD13 LEU A 38 -10.393 27.150 10.987 1.00100.00 H new ATOM 0 HD21 LEU A 38 -11.226 27.533 8.058 1.00100.00 H new ATOM 0 HD22 LEU A 38 -9.814 28.276 8.845 1.00100.00 H new ATOM 0 HD23 LEU A 38 -9.603 27.319 7.360 1.00100.00 H new ATOM 571 N LYS A 39 -5.670 24.566 8.982 1.00100.00 N ATOM 572 CA LYS A 39 -4.324 24.347 9.460 1.00100.00 C ATOM 573 C LYS A 39 -3.246 24.792 8.516 1.00100.00 C ATOM 574 O LYS A 39 -2.168 25.165 8.980 1.00100.00 O ATOM 575 CB LYS A 39 -4.035 22.862 9.722 1.00100.00 C ATOM 576 CG LYS A 39 -4.923 22.307 10.834 1.00100.00 C ATOM 577 CD LYS A 39 -4.741 20.794 10.937 1.00100.00 C ATOM 578 CE LYS A 39 -5.615 20.263 12.070 1.00100.00 C ATOM 579 NZ LYS A 39 -5.457 18.809 12.221 1.00100.00 N ATOM 0 H LYS A 39 -6.210 23.702 8.947 1.00100.00 H new ATOM 0 HA LYS A 39 -4.295 24.946 10.370 1.00100.00 H new ATOM 0 HB2 LYS A 39 -4.197 22.292 8.807 1.00100.00 H new ATOM 0 HB3 LYS A 39 -2.987 22.737 9.995 1.00100.00 H new ATOM 0 HG2 LYS A 39 -4.669 22.778 11.784 1.00100.00 H new ATOM 0 HG3 LYS A 39 -5.967 22.544 10.630 1.00100.00 H new ATOM 0 HD2 LYS A 39 -5.015 20.317 9.996 1.00100.00 H new ATOM 0 HD3 LYS A 39 -3.695 20.553 11.124 1.00100.00 H new ATOM 0 HE2 LYS A 39 -5.349 20.760 13.003 1.00100.00 H new ATOM 0 HE3 LYS A 39 -6.660 20.500 11.870 1.00100.00 H new ATOM 0 HZ1 LYS A 39 -6.062 18.473 12.998 1.00100.00 H new ATOM 0 HZ2 LYS A 39 -5.734 18.336 11.337 1.00100.00 H new ATOM 0 HZ3 LYS A 39 -4.464 18.588 12.435 1.00100.00 H new ATOM 593 N TYR A 40 -3.507 24.769 7.190 1.00100.00 N ATOM 594 CA TYR A 40 -2.563 25.152 6.170 1.00100.00 C ATOM 595 C TYR A 40 -2.111 26.591 6.323 1.00100.00 C ATOM 596 O TYR A 40 -0.917 26.872 6.188 1.00100.00 O ATOM 597 CB TYR A 40 -3.194 24.911 4.763 1.00100.00 C ATOM 598 CG TYR A 40 -2.347 25.359 3.593 1.00100.00 C ATOM 599 CD1 TYR A 40 -1.229 24.607 3.207 1.00100.00 C ATOM 600 CD2 TYR A 40 -2.705 26.508 2.873 1.00100.00 C ATOM 601 CE1 TYR A 40 -0.468 25.000 2.097 1.00100.00 C ATOM 602 CE2 TYR A 40 -1.951 26.907 1.761 1.00100.00 C ATOM 603 CZ TYR A 40 -0.827 26.152 1.367 1.00100.00 C ATOM 604 OH TYR A 40 -0.094 26.534 0.281 1.00100.00 O ATOM 0 H TYR A 40 -4.407 24.473 6.812 1.00100.00 H new ATOM 0 HA TYR A 40 -1.673 24.533 6.279 1.00100.00 H new ATOM 0 HB2 TYR A 40 -3.403 23.847 4.653 1.00100.00 H new ATOM 0 HB3 TYR A 40 -4.151 25.430 4.718 1.00100.00 H new ATOM 0 HD1 TYR A 40 -0.954 23.724 3.765 1.00100.00 H new ATOM 0 HD2 TYR A 40 -3.565 27.087 3.176 1.00100.00 H new ATOM 0 HE1 TYR A 40 0.394 24.420 1.801 1.00100.00 H new ATOM 0 HE2 TYR A 40 -2.230 27.791 1.207 1.00100.00 H new ATOM 0 HH TYR A 40 -0.481 27.348 -0.105 1.00100.00 H new ATOM 614 N ASP A 41 -3.047 27.518 6.631 1.00100.00 N ATOM 615 CA ASP A 41 -2.732 28.916 6.781 1.00100.00 C ATOM 616 C ASP A 41 -1.943 29.170 8.047 1.00100.00 C ATOM 617 O ASP A 41 -2.239 28.632 9.116 1.00100.00 O ATOM 618 CB ASP A 41 -4.007 29.790 6.720 1.00100.00 C ATOM 619 CG ASP A 41 -3.673 31.274 6.781 1.00100.00 C ATOM 620 OD1 ASP A 41 -3.102 31.767 5.785 1.00100.00 O ATOM 621 OD2 ASP A 41 -4.000 31.885 7.821 1.00100.00 O ATOM 0 H ASP A 41 -4.032 27.297 6.778 1.00100.00 H new ATOM 0 HA ASP A 41 -2.100 29.204 5.941 1.00100.00 H new ATOM 0 HB2 ASP A 41 -4.551 29.577 5.800 1.00100.00 H new ATOM 0 HB3 ASP A 41 -4.667 29.531 7.548 1.00100.00 H new ATOM 626 N GLU A 42 -0.888 30.010 7.918 1.00100.00 N ATOM 627 CA GLU A 42 0.007 30.389 8.987 1.00100.00 C ATOM 628 C GLU A 42 -0.693 31.155 10.071 1.00100.00 C ATOM 629 O GLU A 42 -0.430 30.938 11.255 1.00100.00 O ATOM 630 CB GLU A 42 1.198 31.239 8.521 1.00100.00 C ATOM 631 CG GLU A 42 2.023 30.469 7.492 1.00100.00 C ATOM 632 CD GLU A 42 3.226 31.287 7.043 1.00100.00 C ATOM 633 OE1 GLU A 42 2.996 32.291 6.334 1.00100.00 O ATOM 634 OE2 GLU A 42 4.352 30.896 7.419 1.00100.00 O ATOM 0 H GLU A 42 -0.647 30.446 7.028 1.00100.00 H new ATOM 0 HA GLU A 42 0.376 29.437 9.368 1.00100.00 H new ATOM 0 HB2 GLU A 42 0.840 32.173 8.087 1.00100.00 H new ATOM 0 HB3 GLU A 42 1.822 31.503 9.375 1.00100.00 H new ATOM 0 HG2 GLU A 42 2.359 29.525 7.921 1.00100.00 H new ATOM 0 HG3 GLU A 42 1.402 30.224 6.630 1.00100.00 H new ATOM 641 N GLU A 43 -1.619 32.056 9.675 1.00100.00 N ATOM 642 CA GLU A 43 -2.373 32.875 10.587 1.00100.00 C ATOM 643 C GLU A 43 -3.590 32.161 11.124 1.00100.00 C ATOM 644 O GLU A 43 -4.316 32.743 11.933 1.00100.00 O ATOM 645 CB GLU A 43 -2.892 34.176 9.942 1.00100.00 C ATOM 646 CG GLU A 43 -1.735 35.003 9.387 1.00100.00 C ATOM 647 CD GLU A 43 -2.256 36.269 8.720 1.00100.00 C ATOM 648 OE1 GLU A 43 -2.832 37.101 9.453 1.00100.00 O ATOM 649 OE2 GLU A 43 -2.072 36.379 7.489 1.00100.00 O ATOM 0 H GLU A 43 -1.850 32.220 8.695 1.00100.00 H new ATOM 0 HA GLU A 43 -1.665 33.102 11.384 1.00100.00 H new ATOM 0 HB2 GLU A 43 -3.591 33.937 9.141 1.00100.00 H new ATOM 0 HB3 GLU A 43 -3.441 34.760 10.681 1.00100.00 H new ATOM 0 HG2 GLU A 43 -1.049 35.265 10.192 1.00100.00 H new ATOM 0 HG3 GLU A 43 -1.170 34.411 8.667 1.00100.00 H new ATOM 656 N TRP A 44 -3.826 30.879 10.709 1.00100.00 N ATOM 657 CA TRP A 44 -4.948 30.046 11.087 1.00100.00 C ATOM 658 C TRP A 44 -6.203 30.452 10.374 1.00100.00 C ATOM 659 O TRP A 44 -6.873 29.574 9.830 1.00100.00 O ATOM 660 CB TRP A 44 -5.196 29.905 12.625 1.00100.00 C ATOM 661 CG TRP A 44 -6.394 29.089 12.982 1.00100.00 C ATOM 662 CD1 TRP A 44 -7.575 29.578 13.420 1.00100.00 C ATOM 663 CD2 TRP A 44 -6.558 27.643 12.929 1.00100.00 C ATOM 664 NE1 TRP A 44 -8.452 28.538 13.649 1.00100.00 N ATOM 665 CE2 TRP A 44 -7.872 27.319 13.366 1.00100.00 C ATOM 666 CE3 TRP A 44 -5.728 26.573 12.554 1.00100.00 C ATOM 667 CZ2 TRP A 44 -8.336 26.001 13.436 1.00100.00 C ATOM 668 CZ3 TRP A 44 -6.185 25.250 12.617 1.00100.00 C ATOM 669 CH2 TRP A 44 -7.483 24.959 13.058 1.00100.00 C ATOM 0 H TRP A 44 -3.191 30.401 10.070 1.00100.00 H new ATOM 0 HA TRP A 44 -4.657 29.047 10.761 1.00100.00 H new ATOM 0 HB2 TRP A 44 -4.315 29.456 13.083 1.00100.00 H new ATOM 0 HB3 TRP A 44 -5.307 30.900 13.056 1.00100.00 H new ATOM 0 HD1 TRP A 44 -7.798 30.624 13.568 1.00100.00 H new ATOM 0 HE1 TRP A 44 -9.408 28.656 13.985 1.00100.00 H new ATOM 0 HE3 TRP A 44 -4.723 26.773 12.212 1.00100.00 H new ATOM 0 HZ2 TRP A 44 -9.339 25.791 13.777 1.00100.00 H new ATOM 0 HZ3 TRP A 44 -5.529 24.444 12.322 1.00100.00 H new ATOM 0 HH2 TRP A 44 -7.823 23.935 13.106 1.00100.00 H new ATOM 680 N TYR A 45 -6.556 31.763 10.365 1.00100.00 N ATOM 681 CA TYR A 45 -7.746 32.219 9.706 1.00100.00 C ATOM 682 C TYR A 45 -7.323 32.707 8.331 1.00100.00 C ATOM 683 O TYR A 45 -6.619 33.713 8.217 1.00100.00 O ATOM 684 CB TYR A 45 -8.450 33.351 10.499 1.00100.00 C ATOM 685 CG TYR A 45 -9.787 33.701 9.892 1.00100.00 C ATOM 686 CD1 TYR A 45 -10.919 32.953 10.242 1.00100.00 C ATOM 687 CD2 TYR A 45 -9.889 34.737 8.953 1.00100.00 C ATOM 688 CE1 TYR A 45 -12.160 33.241 9.660 1.00100.00 C ATOM 689 CE2 TYR A 45 -11.126 35.028 8.361 1.00100.00 C ATOM 690 CZ TYR A 45 -12.268 34.278 8.714 1.00100.00 C ATOM 691 OH TYR A 45 -13.473 34.554 8.138 1.00100.00 O ATOM 0 H TYR A 45 -6.015 32.501 10.815 1.00100.00 H new ATOM 0 HA TYR A 45 -8.470 31.407 9.634 1.00100.00 H new ATOM 0 HB2 TYR A 45 -8.589 33.039 11.534 1.00100.00 H new ATOM 0 HB3 TYR A 45 -7.814 34.236 10.515 1.00100.00 H new ATOM 0 HD1 TYR A 45 -10.834 32.153 10.962 1.00100.00 H new ATOM 0 HD2 TYR A 45 -9.014 35.311 8.686 1.00100.00 H new ATOM 0 HE1 TYR A 45 -13.033 32.668 9.937 1.00100.00 H new ATOM 0 HE2 TYR A 45 -11.205 35.825 7.636 1.00100.00 H new ATOM 0 HH TYR A 45 -13.372 35.299 7.509 1.00100.00 H new ATOM 701 N PRO A 46 -7.737 31.979 7.255 1.00100.00 N ATOM 702 CA PRO A 46 -7.435 32.292 5.876 1.00100.00 C ATOM 703 C PRO A 46 -8.340 33.348 5.299 1.00100.00 C ATOM 704 O PRO A 46 -9.321 33.723 5.945 1.00100.00 O ATOM 705 CB PRO A 46 -7.597 30.968 5.146 1.00100.00 C ATOM 706 CG PRO A 46 -8.780 30.347 5.884 1.00100.00 C ATOM 707 CD PRO A 46 -8.505 30.749 7.330 1.00100.00 C ATOM 0 HA PRO A 46 -6.435 32.713 5.777 1.00100.00 H new ATOM 0 HB2 PRO A 46 -7.805 31.109 4.085 1.00100.00 H new ATOM 0 HB3 PRO A 46 -6.702 30.350 5.216 1.00100.00 H new ATOM 0 HG2 PRO A 46 -9.733 30.738 5.527 1.00100.00 H new ATOM 0 HG3 PRO A 46 -8.813 29.264 5.762 1.00100.00 H new ATOM 0 HD2 PRO A 46 -9.435 30.901 7.878 1.00100.00 H new ATOM 0 HD3 PRO A 46 -7.949 29.971 7.854 1.00100.00 H new ATOM 715 N GLU A 47 -8.004 33.838 4.079 1.00100.00 N ATOM 716 CA GLU A 47 -8.789 34.817 3.369 1.00100.00 C ATOM 717 C GLU A 47 -10.153 34.233 3.078 1.00100.00 C ATOM 718 O GLU A 47 -11.166 34.898 3.301 1.00100.00 O ATOM 719 CB GLU A 47 -8.181 35.187 2.000 1.00100.00 C ATOM 720 CG GLU A 47 -6.785 35.783 2.169 1.00100.00 C ATOM 721 CD GLU A 47 -6.189 36.139 0.813 1.00100.00 C ATOM 722 OE1 GLU A 47 -5.815 35.191 0.090 1.00100.00 O ATOM 723 OE2 GLU A 47 -6.123 37.353 0.524 1.00100.00 O ATOM 0 H GLU A 47 -7.167 33.546 3.575 1.00100.00 H new ATOM 0 HA GLU A 47 -8.828 35.705 4.000 1.00100.00 H new ATOM 0 HB2 GLU A 47 -8.128 34.300 1.369 1.00100.00 H new ATOM 0 HB3 GLU A 47 -8.827 35.902 1.491 1.00100.00 H new ATOM 0 HG2 GLU A 47 -6.837 36.674 2.795 1.00100.00 H new ATOM 0 HG3 GLU A 47 -6.139 35.070 2.681 1.00100.00 H new ATOM 730 N GLU A 48 -10.193 32.956 2.606 1.00100.00 N ATOM 731 CA GLU A 48 -11.441 32.310 2.301 1.00100.00 C ATOM 732 C GLU A 48 -11.674 31.235 3.322 1.00100.00 C ATOM 733 O GLU A 48 -11.018 30.192 3.317 1.00100.00 O ATOM 734 CB GLU A 48 -11.473 31.654 0.896 1.00100.00 C ATOM 735 CG GLU A 48 -11.353 32.707 -0.205 1.00100.00 C ATOM 736 CD GLU A 48 -12.545 33.657 -0.187 1.00100.00 C ATOM 737 OE1 GLU A 48 -13.680 33.146 -0.302 1.00100.00 O ATOM 738 OE2 GLU A 48 -12.298 34.876 -0.060 1.00100.00 O ATOM 0 H GLU A 48 -9.367 32.382 2.439 1.00100.00 H new ATOM 0 HA GLU A 48 -12.213 33.080 2.316 1.00100.00 H new ATOM 0 HB2 GLU A 48 -10.657 30.936 0.808 1.00100.00 H new ATOM 0 HB3 GLU A 48 -12.402 31.098 0.772 1.00100.00 H new ATOM 0 HG2 GLU A 48 -10.431 33.273 -0.073 1.00100.00 H new ATOM 0 HG3 GLU A 48 -11.289 32.217 -1.176 1.00100.00 H new ATOM 745 N LEU A 49 -12.603 31.520 4.259 1.00100.00 N ATOM 746 CA LEU A 49 -12.992 30.610 5.307 1.00100.00 C ATOM 747 C LEU A 49 -13.776 29.444 4.764 1.00100.00 C ATOM 748 O LEU A 49 -13.573 28.301 5.180 1.00100.00 O ATOM 749 CB LEU A 49 -13.848 31.317 6.390 1.00100.00 C ATOM 750 CG LEU A 49 -14.244 30.374 7.528 1.00100.00 C ATOM 751 CD1 LEU A 49 -13.011 29.912 8.302 1.00100.00 C ATOM 752 CD2 LEU A 49 -15.195 31.110 8.469 1.00100.00 C ATOM 0 H LEU A 49 -13.100 32.410 4.291 1.00100.00 H new ATOM 0 HA LEU A 49 -12.067 30.249 5.756 1.00100.00 H new ATOM 0 HB2 LEU A 49 -13.290 32.160 6.798 1.00100.00 H new ATOM 0 HB3 LEU A 49 -14.748 31.724 5.929 1.00100.00 H new ATOM 0 HG LEU A 49 -14.734 29.495 7.109 1.00100.00 H new ATOM 0 HD11 LEU A 49 -13.316 29.243 9.106 1.00100.00 H new ATOM 0 HD12 LEU A 49 -12.335 29.386 7.628 1.00100.00 H new ATOM 0 HD13 LEU A 49 -12.501 30.778 8.724 1.00100.00 H new ATOM 0 HD21 LEU A 49 -15.485 30.448 9.285 1.00100.00 H new ATOM 0 HD22 LEU A 49 -14.696 31.990 8.875 1.00100.00 H new ATOM 0 HD23 LEU A 49 -16.084 31.419 7.919 1.00100.00 H new ATOM 764 N LEU A 50 -14.680 29.739 3.803 1.00100.00 N ATOM 765 CA LEU A 50 -15.551 28.767 3.206 1.00100.00 C ATOM 766 C LEU A 50 -14.901 27.731 2.355 1.00100.00 C ATOM 767 O LEU A 50 -13.875 27.960 1.715 1.00100.00 O ATOM 768 CB LEU A 50 -16.713 29.390 2.404 1.00100.00 C ATOM 769 CG LEU A 50 -17.476 30.425 3.235 1.00100.00 C ATOM 770 CD1 LEU A 50 -18.600 31.011 2.383 1.00100.00 C ATOM 771 CD2 LEU A 50 -18.076 29.789 4.490 1.00100.00 C ATOM 0 H LEU A 50 -14.807 30.681 3.432 1.00100.00 H new ATOM 0 HA LEU A 50 -15.932 28.260 4.093 1.00100.00 H new ATOM 0 HB2 LEU A 50 -16.322 29.862 1.502 1.00100.00 H new ATOM 0 HB3 LEU A 50 -17.397 28.605 2.082 1.00100.00 H new ATOM 0 HG LEU A 50 -16.781 31.206 3.544 1.00100.00 H new ATOM 0 HD11 LEU A 50 -19.151 31.750 2.965 1.00100.00 H new ATOM 0 HD12 LEU A 50 -18.176 31.488 1.499 1.00100.00 H new ATOM 0 HD13 LEU A 50 -19.277 30.214 2.075 1.00100.00 H new ATOM 0 HD21 LEU A 50 -18.612 30.547 5.061 1.00100.00 H new ATOM 0 HD22 LEU A 50 -18.766 28.996 4.202 1.00100.00 H new ATOM 0 HD23 LEU A 50 -17.278 29.370 5.103 1.00100.00 H new ATOM 800 N ASP A 52 -14.371 25.248 -0.628 1.00100.00 N ATOM 801 CA ASP A 52 -14.409 25.471 -2.050 1.00100.00 C ATOM 802 C ASP A 52 -15.473 24.580 -2.635 1.00100.00 C ATOM 803 O ASP A 52 -15.592 23.404 -2.276 1.00100.00 O ATOM 804 CB ASP A 52 -13.065 25.153 -2.745 1.00100.00 C ATOM 805 CG ASP A 52 -13.098 25.531 -4.221 1.00100.00 C ATOM 806 OD1 ASP A 52 -13.532 24.675 -5.023 1.00100.00 O ATOM 807 OD2 ASP A 52 -12.687 26.673 -4.520 1.00100.00 O ATOM 0 HA ASP A 52 -14.619 26.528 -2.216 1.00100.00 H new ATOM 0 HB2 ASP A 52 -12.260 25.694 -2.248 1.00100.00 H new ATOM 0 HB3 ASP A 52 -12.845 24.090 -2.645 1.00100.00 H new ATOM 812 N GLY A 53 -16.281 25.171 -3.540 1.00100.00 N ATOM 813 CA GLY A 53 -17.350 24.503 -4.223 1.00100.00 C ATOM 814 C GLY A 53 -16.843 24.299 -5.606 1.00100.00 C ATOM 815 O GLY A 53 -16.089 23.355 -5.852 1.00100.00 O ATOM 0 H GLY A 53 -16.185 26.151 -3.805 1.00100.00 H new ATOM 0 HA2 GLY A 53 -17.593 23.554 -3.746 1.00100.00 H new ATOM 0 HA3 GLY A 53 -18.260 25.104 -4.219 1.00100.00 H new ATOM 819 N GLU A 54 -17.278 25.167 -6.550 1.00100.00 N ATOM 820 CA GLU A 54 -16.817 25.066 -7.907 1.00100.00 C ATOM 821 C GLU A 54 -16.102 26.345 -8.214 1.00100.00 C ATOM 822 O GLU A 54 -16.718 27.381 -8.470 1.00100.00 O ATOM 823 CB GLU A 54 -17.934 24.773 -8.937 1.00100.00 C ATOM 824 CG GLU A 54 -18.572 23.419 -8.627 1.00100.00 C ATOM 825 CD GLU A 54 -19.636 23.065 -9.656 1.00100.00 C ATOM 826 OE1 GLU A 54 -20.653 23.792 -9.695 1.00100.00 O ATOM 827 OE2 GLU A 54 -19.416 22.073 -10.384 1.00100.00 O ATOM 0 H GLU A 54 -17.937 25.925 -6.376 1.00100.00 H new ATOM 0 HA GLU A 54 -16.155 24.205 -7.993 1.00100.00 H new ATOM 0 HB2 GLU A 54 -18.689 25.559 -8.904 1.00100.00 H new ATOM 0 HB3 GLU A 54 -17.521 24.770 -9.946 1.00100.00 H new ATOM 0 HG2 GLU A 54 -17.803 22.646 -8.614 1.00100.00 H new ATOM 0 HG3 GLU A 54 -19.017 23.443 -7.632 1.00100.00 H new ATOM 834 N ASP A 55 -14.747 26.255 -8.160 1.00100.00 N ATOM 835 CA ASP A 55 -13.798 27.317 -8.411 1.00100.00 C ATOM 836 C ASP A 55 -14.064 28.557 -7.595 1.00100.00 C ATOM 837 O ASP A 55 -13.955 29.684 -8.088 1.00100.00 O ATOM 838 CB ASP A 55 -13.641 27.665 -9.919 1.00100.00 C ATOM 839 CG ASP A 55 -13.154 26.455 -10.706 1.00100.00 C ATOM 840 OD1 ASP A 55 -12.207 25.801 -10.218 1.00100.00 O ATOM 841 OD2 ASP A 55 -13.737 26.207 -11.784 1.00100.00 O ATOM 0 H ASP A 55 -14.284 25.378 -7.924 1.00100.00 H new ATOM 0 HA ASP A 55 -12.843 26.910 -8.078 1.00100.00 H new ATOM 0 HB2 ASP A 55 -14.596 28.005 -10.320 1.00100.00 H new ATOM 0 HB3 ASP A 55 -12.936 28.488 -10.035 1.00100.00 H new ATOM 846 N ASP A 56 -14.433 28.357 -6.307 1.00100.00 N ATOM 847 CA ASP A 56 -14.721 29.441 -5.399 1.00100.00 C ATOM 848 C ASP A 56 -13.489 30.253 -5.113 1.00100.00 C ATOM 849 O ASP A 56 -13.561 31.482 -5.072 1.00100.00 O ATOM 850 CB ASP A 56 -15.329 28.987 -4.051 1.00100.00 C ATOM 851 CG ASP A 56 -16.718 28.378 -4.216 1.00100.00 C ATOM 852 OD1 ASP A 56 -17.246 28.437 -5.348 1.00100.00 O ATOM 853 OD2 ASP A 56 -17.232 27.870 -3.197 1.00100.00 O ATOM 0 H ASP A 56 -14.533 27.432 -5.890 1.00100.00 H new ATOM 0 HA ASP A 56 -15.469 30.043 -5.915 1.00100.00 H new ATOM 0 HB2 ASP A 56 -14.668 28.256 -3.585 1.00100.00 H new ATOM 0 HB3 ASP A 56 -15.387 29.841 -3.376 1.00100.00 H new ATOM 858 N VAL A 57 -12.332 29.566 -4.934 1.00100.00 N ATOM 859 CA VAL A 57 -11.072 30.195 -4.638 1.00100.00 C ATOM 860 C VAL A 57 -10.550 30.915 -5.853 1.00100.00 C ATOM 861 O VAL A 57 -10.746 30.481 -6.991 1.00100.00 O ATOM 862 CB VAL A 57 -10.062 29.233 -4.015 1.00100.00 C ATOM 863 CG1 VAL A 57 -9.512 28.260 -5.058 1.00100.00 C ATOM 864 CG2 VAL A 57 -8.920 29.995 -3.346 1.00100.00 C ATOM 0 H VAL A 57 -12.274 28.550 -4.997 1.00100.00 H new ATOM 0 HA VAL A 57 -11.241 30.946 -3.866 1.00100.00 H new ATOM 0 HB VAL A 57 -10.585 28.657 -3.252 1.00100.00 H new ATOM 0 HG11 VAL A 57 -8.796 27.587 -4.586 1.00100.00 H new ATOM 0 HG12 VAL A 57 -10.331 27.679 -5.481 1.00100.00 H new ATOM 0 HG13 VAL A 57 -9.016 28.819 -5.852 1.00100.00 H new ATOM 0 HG21 VAL A 57 -8.216 29.286 -2.911 1.00100.00 H new ATOM 0 HG22 VAL A 57 -8.407 30.607 -4.088 1.00100.00 H new ATOM 0 HG23 VAL A 57 -9.321 30.636 -2.561 1.00100.00 H new ATOM 874 N PHE A 58 -9.883 32.064 -5.590 1.00100.00 N ATOM 875 CA PHE A 58 -9.309 32.951 -6.566 1.00100.00 C ATOM 876 C PHE A 58 -10.271 33.377 -7.633 1.00100.00 C ATOM 877 O PHE A 58 -9.991 33.304 -8.830 1.00100.00 O ATOM 878 CB PHE A 58 -7.911 32.562 -7.125 1.00100.00 C ATOM 879 CG PHE A 58 -6.850 32.513 -6.051 1.00100.00 C ATOM 880 CD1 PHE A 58 -6.298 33.707 -5.565 1.00100.00 C ATOM 881 CD2 PHE A 58 -6.440 31.284 -5.516 1.00100.00 C ATOM 882 CE1 PHE A 58 -5.340 33.673 -4.544 1.00100.00 C ATOM 883 CE2 PHE A 58 -5.490 31.252 -4.486 1.00100.00 C ATOM 884 CZ PHE A 58 -4.938 32.445 -4.002 1.00100.00 C ATOM 0 H PHE A 58 -9.737 32.392 -4.635 1.00100.00 H new ATOM 0 HA PHE A 58 -9.093 33.837 -5.969 1.00100.00 H new ATOM 0 HB2 PHE A 58 -7.976 31.589 -7.611 1.00100.00 H new ATOM 0 HB3 PHE A 58 -7.616 33.281 -7.889 1.00100.00 H new ATOM 0 HD1 PHE A 58 -6.612 34.654 -5.979 1.00100.00 H new ATOM 0 HD2 PHE A 58 -6.856 30.363 -5.897 1.00100.00 H new ATOM 0 HE1 PHE A 58 -4.911 34.593 -4.175 1.00100.00 H new ATOM 0 HE2 PHE A 58 -5.183 30.306 -4.065 1.00100.00 H new ATOM 0 HZ PHE A 58 -4.203 32.418 -3.211 1.00100.00 H new ATOM 894 N ASP A 59 -11.473 33.807 -7.172 1.00100.00 N ATOM 895 CA ASP A 59 -12.528 34.299 -8.021 1.00100.00 C ATOM 896 C ASP A 59 -12.035 35.547 -8.757 1.00100.00 C ATOM 897 O ASP A 59 -12.250 35.600 -9.970 1.00100.00 O ATOM 898 CB ASP A 59 -13.855 34.545 -7.247 1.00100.00 C ATOM 899 CG ASP A 59 -14.953 34.999 -8.198 1.00100.00 C ATOM 900 OD1 ASP A 59 -15.510 34.114 -8.883 1.00100.00 O ATOM 901 OD2 ASP A 59 -15.212 36.221 -8.227 1.00100.00 O ATOM 0 H ASP A 59 -11.716 33.812 -6.181 1.00100.00 H new ATOM 0 HA ASP A 59 -12.772 33.532 -8.756 1.00100.00 H new ATOM 0 HB2 ASP A 59 -14.161 33.630 -6.739 1.00100.00 H new ATOM 0 HB3 ASP A 59 -13.698 35.300 -6.477 1.00100.00 H new ATOM 906 N PRO A 60 -11.356 36.569 -8.110 1.00100.00 N ATOM 907 CA PRO A 60 -10.828 37.717 -8.824 1.00100.00 C ATOM 908 C PRO A 60 -9.624 37.287 -9.635 1.00100.00 C ATOM 909 O PRO A 60 -9.018 36.263 -9.305 1.00100.00 O ATOM 910 CB PRO A 60 -10.509 38.770 -7.760 1.00100.00 C ATOM 911 CG PRO A 60 -10.161 37.899 -6.553 1.00100.00 C ATOM 912 CD PRO A 60 -11.099 36.697 -6.688 1.00100.00 C ATOM 0 HA PRO A 60 -11.531 38.142 -9.540 1.00100.00 H new ATOM 0 HB2 PRO A 60 -9.678 39.411 -8.055 1.00100.00 H new ATOM 0 HB3 PRO A 60 -11.360 39.422 -7.562 1.00100.00 H new ATOM 0 HG2 PRO A 60 -9.115 37.594 -6.568 1.00100.00 H new ATOM 0 HG3 PRO A 60 -10.324 38.431 -5.616 1.00100.00 H new ATOM 0 HD2 PRO A 60 -10.640 35.793 -6.289 1.00100.00 H new ATOM 0 HD3 PRO A 60 -12.024 36.856 -6.134 1.00100.00 H new ATOM 920 N ASP A 61 -9.265 38.057 -10.691 1.00100.00 N ATOM 921 CA ASP A 61 -8.156 37.733 -11.559 1.00100.00 C ATOM 922 C ASP A 61 -6.867 37.749 -10.782 1.00100.00 C ATOM 923 O ASP A 61 -6.577 38.680 -10.026 1.00100.00 O ATOM 924 CB ASP A 61 -8.051 38.688 -12.775 1.00100.00 C ATOM 925 CG ASP A 61 -6.998 38.198 -13.762 1.00100.00 C ATOM 926 OD1 ASP A 61 -5.799 38.344 -13.442 1.00100.00 O ATOM 927 OD2 ASP A 61 -7.414 37.679 -14.821 1.00100.00 O ATOM 0 H ASP A 61 -9.750 38.917 -10.947 1.00100.00 H new ATOM 0 HA ASP A 61 -8.340 36.732 -11.950 1.00100.00 H new ATOM 0 HB2 ASP A 61 -9.018 38.757 -13.273 1.00100.00 H new ATOM 0 HB3 ASP A 61 -7.796 39.691 -12.434 1.00100.00 H new ATOM 932 N LEU A 62 -6.087 36.668 -10.976 1.00100.00 N ATOM 933 CA LEU A 62 -4.831 36.464 -10.318 1.00100.00 C ATOM 934 C LEU A 62 -3.804 36.359 -11.409 1.00100.00 C ATOM 935 O LEU A 62 -2.871 37.162 -11.467 1.00100.00 O ATOM 936 CB LEU A 62 -4.875 35.141 -9.501 1.00100.00 C ATOM 937 CG LEU A 62 -3.546 34.842 -8.804 1.00100.00 C ATOM 938 CD1 LEU A 62 -3.315 35.830 -7.663 1.00100.00 C ATOM 939 CD2 LEU A 62 -3.581 33.420 -8.245 1.00100.00 C ATOM 0 H LEU A 62 -6.339 35.911 -11.612 1.00100.00 H new ATOM 0 HA LEU A 62 -4.600 37.276 -9.629 1.00100.00 H new ATOM 0 HB2 LEU A 62 -5.667 35.204 -8.755 1.00100.00 H new ATOM 0 HB3 LEU A 62 -5.128 34.315 -10.166 1.00100.00 H new ATOM 0 HG LEU A 62 -2.734 34.938 -9.525 1.00100.00 H new ATOM 0 HD11 LEU A 62 -2.366 35.607 -7.175 1.00100.00 H new ATOM 0 HD12 LEU A 62 -3.289 36.845 -8.060 1.00100.00 H new ATOM 0 HD13 LEU A 62 -4.125 35.745 -6.938 1.00100.00 H new ATOM 0 HD21 LEU A 62 -2.636 33.201 -7.747 1.00100.00 H new ATOM 0 HD22 LEU A 62 -4.398 33.331 -7.529 1.00100.00 H new ATOM 0 HD23 LEU A 62 -3.734 32.712 -9.060 1.00100.00 H new ATOM 951 N ASP A 63 -3.992 35.370 -12.315 1.00100.00 N ATOM 952 CA ASP A 63 -3.113 35.110 -13.422 1.00100.00 C ATOM 953 C ASP A 63 -3.952 34.999 -14.660 1.00100.00 C ATOM 954 O ASP A 63 -5.129 34.632 -14.606 1.00100.00 O ATOM 955 CB ASP A 63 -2.322 33.782 -13.258 1.00100.00 C ATOM 956 CG ASP A 63 -1.226 33.601 -14.301 1.00100.00 C ATOM 957 OD1 ASP A 63 -0.760 34.630 -14.838 1.00100.00 O ATOM 958 OD2 ASP A 63 -0.857 32.429 -14.528 1.00100.00 O ATOM 0 H ASP A 63 -4.785 34.730 -12.273 1.00100.00 H new ATOM 0 HA ASP A 63 -2.391 35.925 -13.477 1.00100.00 H new ATOM 0 HB2 ASP A 63 -1.876 33.753 -12.264 1.00100.00 H new ATOM 0 HB3 ASP A 63 -3.016 32.944 -13.321 1.00100.00 H new ATOM 963 N MET A 64 -3.343 35.366 -15.810 1.00100.00 N ATOM 964 CA MET A 64 -3.964 35.312 -17.109 1.00100.00 C ATOM 965 C MET A 64 -4.280 33.893 -17.491 1.00100.00 C ATOM 966 O MET A 64 -5.400 33.605 -17.919 1.00100.00 O ATOM 967 CB MET A 64 -3.099 35.940 -18.218 1.00100.00 C ATOM 968 CG MET A 64 -2.813 37.410 -17.912 1.00100.00 C ATOM 969 SD MET A 64 -4.286 38.443 -17.692 1.00100.00 S ATOM 970 CE MET A 64 -5.074 38.192 -19.302 1.00100.00 C ATOM 0 H MET A 64 -2.384 35.713 -15.838 1.00100.00 H new ATOM 0 HA MET A 64 -4.880 35.896 -17.024 1.00100.00 H new ATOM 0 HB2 MET A 64 -2.161 35.393 -18.308 1.00100.00 H new ATOM 0 HB3 MET A 64 -3.610 35.856 -19.177 1.00100.00 H new ATOM 0 HG2 MET A 64 -2.208 37.467 -17.007 1.00100.00 H new ATOM 0 HG3 MET A 64 -2.214 37.825 -18.722 1.00100.00 H new ATOM 0 HE1 MET A 64 -5.869 38.926 -19.436 1.00100.00 H new ATOM 0 HE2 MET A 64 -4.333 38.311 -20.092 1.00100.00 H new ATOM 0 HE3 MET A 64 -5.495 37.188 -19.348 1.00100.00 H new ATOM 980 N GLU A 65 -3.347 32.958 -17.190 1.00100.00 N ATOM 981 CA GLU A 65 -3.531 31.566 -17.497 1.00100.00 C ATOM 982 C GLU A 65 -4.297 31.005 -16.336 1.00100.00 C ATOM 983 O GLU A 65 -3.928 31.220 -15.175 1.00100.00 O ATOM 984 CB GLU A 65 -2.198 30.814 -17.673 1.00100.00 C ATOM 985 CG GLU A 65 -2.468 29.379 -18.127 1.00100.00 C ATOM 986 CD GLU A 65 -1.183 28.565 -18.235 1.00100.00 C ATOM 987 OE1 GLU A 65 -0.100 29.190 -18.228 1.00100.00 O ATOM 988 OE2 GLU A 65 -1.309 27.325 -18.326 1.00100.00 O ATOM 0 H GLU A 65 -2.461 33.171 -16.731 1.00100.00 H new ATOM 0 HA GLU A 65 -4.055 31.451 -18.446 1.00100.00 H new ATOM 0 HB2 GLU A 65 -1.575 31.326 -18.407 1.00100.00 H new ATOM 0 HB3 GLU A 65 -1.646 30.810 -16.733 1.00100.00 H new ATOM 0 HG2 GLU A 65 -3.145 28.897 -17.422 1.00100.00 H new ATOM 0 HG3 GLU A 65 -2.971 29.393 -19.094 1.00100.00 H new ATOM 995 N VAL A 66 -5.409 30.294 -16.645 1.00100.00 N ATOM 996 CA VAL A 66 -6.218 29.740 -15.598 1.00100.00 C ATOM 997 C VAL A 66 -5.860 28.293 -15.452 1.00100.00 C ATOM 998 O VAL A 66 -6.141 27.453 -16.309 1.00100.00 O ATOM 999 CB VAL A 66 -7.721 29.910 -15.800 1.00100.00 C ATOM 1000 CG1 VAL A 66 -8.480 29.319 -14.611 1.00100.00 C ATOM 1001 CG2 VAL A 66 -8.054 31.397 -15.920 1.00100.00 C ATOM 0 H VAL A 66 -5.738 30.109 -17.593 1.00100.00 H new ATOM 0 HA VAL A 66 -6.001 30.298 -14.687 1.00100.00 H new ATOM 0 HB VAL A 66 -8.018 29.390 -16.711 1.00100.00 H new ATOM 0 HG11 VAL A 66 -9.552 29.445 -14.764 1.00100.00 H new ATOM 0 HG12 VAL A 66 -8.249 28.258 -14.523 1.00100.00 H new ATOM 0 HG13 VAL A 66 -8.181 29.833 -13.697 1.00100.00 H new ATOM 0 HG21 VAL A 66 -9.127 31.519 -16.064 1.00100.00 H new ATOM 0 HG22 VAL A 66 -7.749 31.913 -15.009 1.00100.00 H new ATOM 0 HG23 VAL A 66 -7.523 31.821 -16.772 1.00100.00 H new ATOM 1011 N VAL A 67 -5.174 28.021 -14.329 1.00100.00 N ATOM 1012 CA VAL A 67 -4.737 26.718 -13.903 1.00100.00 C ATOM 1013 C VAL A 67 -5.224 26.716 -12.473 1.00100.00 C ATOM 1014 O VAL A 67 -5.066 27.715 -11.761 1.00100.00 O ATOM 1015 CB VAL A 67 -3.222 26.518 -13.897 1.00100.00 C ATOM 1016 CG1 VAL A 67 -2.873 25.105 -13.430 1.00100.00 C ATOM 1017 CG2 VAL A 67 -2.674 26.738 -15.305 1.00100.00 C ATOM 0 H VAL A 67 -4.905 28.755 -13.673 1.00100.00 H new ATOM 0 HA VAL A 67 -5.107 25.935 -14.565 1.00100.00 H new ATOM 0 HB VAL A 67 -2.775 27.237 -13.210 1.00100.00 H new ATOM 0 HG11 VAL A 67 -1.790 24.978 -13.431 1.00100.00 H new ATOM 0 HG12 VAL A 67 -3.255 24.950 -12.421 1.00100.00 H new ATOM 0 HG13 VAL A 67 -3.324 24.377 -14.104 1.00100.00 H new ATOM 0 HG21 VAL A 67 -1.593 26.595 -15.301 1.00100.00 H new ATOM 0 HG22 VAL A 67 -3.132 26.024 -15.989 1.00100.00 H new ATOM 0 HG23 VAL A 67 -2.905 27.752 -15.631 1.00100.00 H new ATOM 1027 N PHE A 68 -5.858 25.604 -12.023 1.00100.00 N ATOM 1028 CA PHE A 68 -6.354 25.511 -10.669 1.00100.00 C ATOM 1029 C PHE A 68 -5.179 25.568 -9.706 1.00100.00 C ATOM 1030 O PHE A 68 -5.246 26.271 -8.696 1.00100.00 O ATOM 1031 CB PHE A 68 -7.237 24.254 -10.441 1.00100.00 C ATOM 1032 CG PHE A 68 -7.876 24.249 -9.069 1.00100.00 C ATOM 1033 CD1 PHE A 68 -8.959 25.101 -8.804 1.00100.00 C ATOM 1034 CD2 PHE A 68 -7.372 23.423 -8.055 1.00100.00 C ATOM 1035 CE1 PHE A 68 -9.534 25.129 -7.526 1.00100.00 C ATOM 1036 CE2 PHE A 68 -7.947 23.452 -6.777 1.00100.00 C ATOM 1037 CZ PHE A 68 -9.026 24.306 -6.511 1.00100.00 C ATOM 0 H PHE A 68 -6.027 24.774 -12.592 1.00100.00 H new ATOM 0 HA PHE A 68 -7.011 26.360 -10.481 1.00100.00 H new ATOM 0 HB2 PHE A 68 -8.015 24.215 -11.203 1.00100.00 H new ATOM 0 HB3 PHE A 68 -6.629 23.357 -10.560 1.00100.00 H new ATOM 0 HD1 PHE A 68 -9.350 25.736 -9.585 1.00100.00 H new ATOM 0 HD2 PHE A 68 -6.541 22.764 -8.258 1.00100.00 H new ATOM 0 HE1 PHE A 68 -10.368 25.784 -7.323 1.00100.00 H new ATOM 0 HE2 PHE A 68 -7.558 22.815 -5.996 1.00100.00 H new ATOM 0 HZ PHE A 68 -9.466 24.330 -5.525 1.00100.00 H new ATOM 1047 N GLU A 69 -4.072 24.854 -10.033 1.00100.00 N ATOM 1048 CA GLU A 69 -2.882 24.828 -9.224 1.00100.00 C ATOM 1049 C GLU A 69 -1.991 25.988 -9.602 1.00100.00 C ATOM 1050 O GLU A 69 -1.067 25.856 -10.408 1.00100.00 O ATOM 1051 CB GLU A 69 -2.084 23.517 -9.369 1.00100.00 C ATOM 1052 CG GLU A 69 -2.935 22.317 -8.951 1.00100.00 C ATOM 1053 CD GLU A 69 -2.167 21.010 -9.095 1.00100.00 C ATOM 1054 OE1 GLU A 69 -1.460 20.870 -10.116 1.00100.00 O ATOM 1055 OE2 GLU A 69 -2.306 20.169 -8.180 1.00100.00 O ATOM 0 H GLU A 69 -4.005 24.285 -10.877 1.00100.00 H new ATOM 0 HA GLU A 69 -3.204 24.902 -8.185 1.00100.00 H new ATOM 0 HB2 GLU A 69 -1.758 23.396 -10.402 1.00100.00 H new ATOM 0 HB3 GLU A 69 -1.185 23.563 -8.755 1.00100.00 H new ATOM 0 HG2 GLU A 69 -3.255 22.440 -7.916 1.00100.00 H new ATOM 0 HG3 GLU A 69 -3.837 22.279 -9.562 1.00100.00 H new ATOM 1062 N THR A 70 -2.303 27.185 -9.061 1.00100.00 N ATOM 1063 CA THR A 70 -1.516 28.365 -9.314 1.00100.00 C ATOM 1064 C THR A 70 -1.225 28.962 -7.968 1.00100.00 C ATOM 1065 O THR A 70 -2.123 29.107 -7.138 1.00100.00 O ATOM 1066 CB THR A 70 -2.194 29.393 -10.204 1.00100.00 C ATOM 1067 OG1 THR A 70 -2.463 28.814 -11.459 1.00100.00 O ATOM 1068 CG2 THR A 70 -1.304 30.619 -10.406 1.00100.00 C ATOM 0 H THR A 70 -3.102 27.338 -8.446 1.00100.00 H new ATOM 0 HA THR A 70 -0.618 28.078 -9.861 1.00100.00 H new ATOM 0 HB THR A 70 -3.119 29.708 -9.721 1.00100.00 H new ATOM 0 HG1 THR A 70 -3.378 28.463 -11.468 1.00100.00 H new ATOM 0 HG21 THR A 70 -1.815 31.338 -11.047 1.00100.00 H new ATOM 0 HG22 THR A 70 -1.094 31.079 -9.440 1.00100.00 H new ATOM 0 HG23 THR A 70 -0.368 30.316 -10.875 1.00100.00 H new ATOM 1076 N GLN A 71 0.060 29.290 -7.722 1.00100.00 N ATOM 1077 CA GLN A 71 0.452 29.888 -6.478 1.00100.00 C ATOM 1078 C GLN A 71 1.565 30.882 -6.834 1.00100.00 C ATOM 1079 O GLN A 71 1.229 31.842 -7.575 1.00100.00 O ATOM 1080 CB GLN A 71 0.907 28.862 -5.413 1.00100.00 C ATOM 1081 CG GLN A 71 -0.350 28.150 -4.901 1.00100.00 C ATOM 1082 CD GLN A 71 -0.093 27.199 -3.740 1.00100.00 C ATOM 1083 OE1 GLN A 71 -0.547 26.058 -3.779 1.00100.00 O ATOM 1084 NE2 GLN A 71 0.598 27.668 -2.697 1.00100.00 N ATOM 1085 OXT GLN A 71 2.701 30.655 -6.363 1.00100.00 O ATOM 0 H GLN A 71 0.824 29.142 -8.381 1.00100.00 H new ATOM 0 HA GLN A 71 -0.400 30.381 -6.009 1.00100.00 H new ATOM 0 HB2 GLN A 71 1.606 28.145 -5.844 1.00100.00 H new ATOM 0 HB3 GLN A 71 1.426 29.362 -4.595 1.00100.00 H new ATOM 0 HG2 GLN A 71 -1.078 28.899 -4.589 1.00100.00 H new ATOM 0 HG3 GLN A 71 -0.799 27.591 -5.722 1.00100.00 H new ATOM 0 HE21 GLN A 71 0.956 28.623 -2.710 1.00100.00 H new ATOM 0 HE22 GLN A 71 0.768 27.071 -1.888 1.00100.00 H new