USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 402 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0464 USER MOD Single : A 6 MET CE :methyl -162:sc= -1.09 (180deg=-1.69!) USER MOD Single : A 12 GLN : amide:sc= -0.512 K(o=-0.51,f=0) USER MOD Single : A 13 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.4) USER MOD Single : A 14 GLN : amide:sc= -0.0208 X(o=-0.021,f=-0.021) USER MOD Single : A 17 GLN : amide:sc= -2.7! K(o=-2.7!,f=-0.89) USER MOD Single : A 19 ASN : amide:sc= -0.512 K(o=-0.51,f=-1.5) USER MOD Single : A 20 SER OG : rot -34:sc=0.000912 USER MOD Single : A 21 MET CE :methyl -139:sc= -2.42! (180deg=-6.9!) USER MOD Single : A 25 ASN : amide:sc= -1.01 K(o=-1,f=-2.1!) USER MOD Single : A 29 ASN : amide:sc= -1.27! C(o=-1.3!,f=-2.8!) USER MOD Single : A 31 GLN : amide:sc= -1.66! K(o=-1.7!,f=-0.009) USER MOD Single : A 36 THR OG1 : rot -100:sc= -0.401 USER MOD Single : A 41 ASN : amide:sc= 0.453 K(o=0.45,f=-0.097) USER MOD Single : A 50 SER OG : rot -100:sc= -0.856 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.665 -7.610 -3.906 1.00 6.75 N ATOM 2 CA GLY A 1 21.371 -8.056 -3.347 1.00 6.35 C ATOM 3 C GLY A 1 20.477 -6.886 -3.002 1.00 5.53 C ATOM 4 O GLY A 1 20.884 -6.001 -2.245 1.00 5.27 O ATOM 0 H1 GLY A 1 23.251 -8.440 -4.130 1.00 6.75 H new ATOM 0 H2 GLY A 1 22.498 -7.060 -4.773 1.00 6.75 H new ATOM 0 H3 GLY A 1 23.158 -7.016 -3.209 1.00 6.75 H new ATOM 0 HA2 GLY A 1 20.866 -8.700 -4.067 1.00 6.35 H new ATOM 0 HA3 GLY A 1 21.548 -8.655 -2.453 1.00 6.35 H new ATOM 10 N PRO A 2 19.256 -6.846 -3.556 1.00 5.42 N ATOM 11 CA PRO A 2 18.308 -5.766 -3.287 1.00 4.84 C ATOM 12 C PRO A 2 17.832 -5.781 -1.841 1.00 3.62 C ATOM 13 O PRO A 2 17.482 -6.835 -1.301 1.00 3.32 O ATOM 14 CB PRO A 2 17.143 -6.053 -4.240 1.00 5.41 C ATOM 15 CG PRO A 2 17.244 -7.507 -4.552 1.00 6.37 C ATOM 16 CD PRO A 2 18.705 -7.852 -4.480 1.00 6.21 C ATOM 0 HA PRO A 2 18.754 -4.783 -3.438 1.00 4.84 H new ATOM 0 HB2 PRO A 2 16.186 -5.815 -3.775 1.00 5.41 H new ATOM 0 HB3 PRO A 2 17.216 -5.450 -5.145 1.00 5.41 H new ATOM 0 HG2 PRO A 2 16.669 -8.099 -3.840 1.00 6.37 H new ATOM 0 HG3 PRO A 2 16.842 -7.721 -5.542 1.00 6.37 H new ATOM 0 HD2 PRO A 2 18.859 -8.865 -4.108 1.00 6.21 H new ATOM 0 HD3 PRO A 2 19.178 -7.797 -5.460 1.00 6.21 H new ATOM 24 N LEU A 3 17.822 -4.620 -1.211 1.00 3.31 N ATOM 25 CA LEU A 3 17.406 -4.523 0.174 1.00 2.51 C ATOM 26 C LEU A 3 15.896 -4.464 0.265 1.00 2.04 C ATOM 27 O LEU A 3 15.286 -3.421 0.026 1.00 2.65 O ATOM 28 CB LEU A 3 18.004 -3.295 0.862 1.00 3.20 C ATOM 29 CG LEU A 3 19.527 -3.195 0.834 1.00 3.91 C ATOM 30 CD1 LEU A 3 19.995 -2.483 -0.425 1.00 4.51 C ATOM 31 CD2 LEU A 3 20.029 -2.485 2.084 1.00 4.58 C ATOM 0 H LEU A 3 18.097 -3.734 -1.636 1.00 3.31 H new ATOM 0 HA LEU A 3 17.773 -5.413 0.686 1.00 2.51 H new ATOM 0 HB2 LEU A 3 17.591 -2.402 0.393 1.00 3.20 H new ATOM 0 HB3 LEU A 3 17.677 -3.289 1.902 1.00 3.20 H new ATOM 0 HG LEU A 3 19.944 -4.202 0.821 1.00 3.91 H new ATOM 0 HD11 LEU A 3 21.083 -2.422 -0.425 1.00 4.51 H new ATOM 0 HD12 LEU A 3 19.662 -3.038 -1.302 1.00 4.51 H new ATOM 0 HD13 LEU A 3 19.575 -1.477 -0.452 1.00 4.51 H new ATOM 0 HD21 LEU A 3 21.117 -2.419 2.053 1.00 4.58 H new ATOM 0 HD22 LEU A 3 19.606 -1.481 2.127 1.00 4.58 H new ATOM 0 HD23 LEU A 3 19.724 -3.045 2.968 1.00 4.58 H new ATOM 43 N GLY A 4 15.297 -5.597 0.587 1.00 1.50 N ATOM 44 CA GLY A 4 13.872 -5.636 0.822 1.00 1.46 C ATOM 45 C GLY A 4 13.511 -4.981 2.134 1.00 1.26 C ATOM 46 O GLY A 4 12.349 -4.679 2.390 1.00 1.38 O ATOM 0 H GLY A 4 15.774 -6.493 0.690 1.00 1.50 H new ATOM 0 HA2 GLY A 4 13.354 -5.131 0.007 1.00 1.46 H new ATOM 0 HA3 GLY A 4 13.530 -6.671 0.824 1.00 1.46 H new ATOM 50 N SER A 5 14.523 -4.725 2.952 1.00 1.11 N ATOM 51 CA SER A 5 14.323 -4.064 4.225 1.00 1.19 C ATOM 52 C SER A 5 14.388 -2.556 4.046 1.00 1.04 C ATOM 53 O SER A 5 15.052 -1.836 4.795 1.00 1.28 O ATOM 54 CB SER A 5 15.378 -4.542 5.214 1.00 1.47 C ATOM 55 OG SER A 5 16.653 -4.620 4.591 1.00 1.68 O ATOM 0 H SER A 5 15.493 -4.968 2.751 1.00 1.11 H new ATOM 0 HA SER A 5 13.337 -4.314 4.617 1.00 1.19 H new ATOM 0 HB2 SER A 5 15.424 -3.859 6.063 1.00 1.47 H new ATOM 0 HB3 SER A 5 15.099 -5.520 5.606 1.00 1.47 H new ATOM 0 HG SER A 5 17.317 -4.927 5.243 1.00 1.68 H new ATOM 61 N MET A 6 13.652 -2.091 3.056 1.00 0.82 N ATOM 62 CA MET A 6 13.467 -0.676 2.811 1.00 0.90 C ATOM 63 C MET A 6 12.014 -0.447 2.435 1.00 0.74 C ATOM 64 O MET A 6 11.717 0.117 1.380 1.00 0.77 O ATOM 65 CB MET A 6 14.359 -0.187 1.672 1.00 1.13 C ATOM 66 CG MET A 6 15.842 -0.475 1.833 1.00 1.70 C ATOM 67 SD MET A 6 16.790 0.211 0.468 1.00 2.28 S ATOM 68 CE MET A 6 15.710 -0.196 -0.902 1.00 2.00 C ATOM 0 H MET A 6 13.161 -2.691 2.393 1.00 0.82 H new ATOM 0 HA MET A 6 13.735 -0.123 3.711 1.00 0.90 H new ATOM 0 HB2 MET A 6 14.017 -0.644 0.744 1.00 1.13 H new ATOM 0 HB3 MET A 6 14.225 0.889 1.565 1.00 1.13 H new ATOM 0 HG2 MET A 6 16.197 -0.054 2.774 1.00 1.70 H new ATOM 0 HG3 MET A 6 16.002 -1.552 1.886 1.00 1.70 H new ATOM 0 HE1 MET A 6 16.269 -0.138 -1.836 1.00 2.00 H new ATOM 0 HE2 MET A 6 15.323 -1.207 -0.773 1.00 2.00 H new ATOM 0 HE3 MET A 6 14.879 0.509 -0.932 1.00 2.00 H new ATOM 78 N PRO A 7 11.082 -0.884 3.290 1.00 0.69 N ATOM 79 CA PRO A 7 9.665 -0.913 2.956 1.00 0.65 C ATOM 80 C PRO A 7 9.153 0.451 2.526 1.00 0.53 C ATOM 81 O PRO A 7 8.544 0.574 1.475 1.00 0.74 O ATOM 82 CB PRO A 7 9.009 -1.398 4.253 1.00 0.83 C ATOM 83 CG PRO A 7 10.091 -2.178 4.910 1.00 0.92 C ATOM 84 CD PRO A 7 11.312 -1.360 4.663 1.00 0.83 C ATOM 0 HA PRO A 7 9.442 -1.558 2.106 1.00 0.65 H new ATOM 0 HB2 PRO A 7 8.680 -0.565 4.874 1.00 0.83 H new ATOM 0 HB3 PRO A 7 8.132 -2.014 4.055 1.00 0.83 H new ATOM 0 HG2 PRO A 7 9.903 -2.306 5.976 1.00 0.92 H new ATOM 0 HG3 PRO A 7 10.183 -3.176 4.481 1.00 0.92 H new ATOM 0 HD2 PRO A 7 11.403 -0.537 5.371 1.00 0.83 H new ATOM 0 HD3 PRO A 7 12.224 -1.952 4.743 1.00 0.83 H new ATOM 92 N GLU A 8 9.478 1.492 3.278 1.00 0.60 N ATOM 93 CA GLU A 8 8.931 2.817 2.990 1.00 0.60 C ATOM 94 C GLU A 8 9.695 3.506 1.867 1.00 0.57 C ATOM 95 O GLU A 8 9.547 4.704 1.644 1.00 0.72 O ATOM 96 CB GLU A 8 8.902 3.689 4.239 1.00 0.78 C ATOM 97 CG GLU A 8 7.834 3.257 5.230 1.00 0.59 C ATOM 98 CD GLU A 8 7.663 4.233 6.372 1.00 0.81 C ATOM 99 OE1 GLU A 8 6.854 5.171 6.239 1.00 1.12 O ATOM 100 OE2 GLU A 8 8.332 4.061 7.414 1.00 1.20 O ATOM 0 H GLU A 8 10.107 1.452 4.080 1.00 0.60 H new ATOM 0 HA GLU A 8 7.904 2.675 2.655 1.00 0.60 H new ATOM 0 HB2 GLU A 8 9.877 3.655 4.724 1.00 0.78 H new ATOM 0 HB3 GLU A 8 8.726 4.725 3.950 1.00 0.78 H new ATOM 0 HG2 GLU A 8 6.884 3.147 4.708 1.00 0.59 H new ATOM 0 HG3 GLU A 8 8.093 2.277 5.631 1.00 0.59 H new ATOM 107 N VAL A 9 10.509 2.742 1.165 1.00 0.46 N ATOM 108 CA VAL A 9 11.128 3.214 -0.061 1.00 0.49 C ATOM 109 C VAL A 9 10.278 2.777 -1.256 1.00 0.42 C ATOM 110 O VAL A 9 10.254 3.428 -2.296 1.00 0.54 O ATOM 111 CB VAL A 9 12.572 2.680 -0.197 1.00 0.52 C ATOM 112 CG1 VAL A 9 13.193 3.079 -1.528 1.00 0.60 C ATOM 113 CG2 VAL A 9 13.424 3.178 0.956 1.00 0.61 C ATOM 0 H VAL A 9 10.759 1.787 1.423 1.00 0.46 H new ATOM 0 HA VAL A 9 11.182 4.302 -0.033 1.00 0.49 H new ATOM 0 HB VAL A 9 12.531 1.591 -0.166 1.00 0.52 H new ATOM 0 HG11 VAL A 9 14.208 2.686 -1.588 1.00 0.60 H new ATOM 0 HG12 VAL A 9 12.597 2.671 -2.344 1.00 0.60 H new ATOM 0 HG13 VAL A 9 13.219 4.166 -1.606 1.00 0.60 H new ATOM 0 HG21 VAL A 9 14.439 2.796 0.850 1.00 0.61 H new ATOM 0 HG22 VAL A 9 13.444 4.268 0.949 1.00 0.61 H new ATOM 0 HG23 VAL A 9 13.001 2.829 1.898 1.00 0.61 H new ATOM 123 N ARG A 10 9.567 1.665 -1.087 1.00 0.31 N ATOM 124 CA ARG A 10 8.665 1.154 -2.115 1.00 0.30 C ATOM 125 C ARG A 10 7.232 1.484 -1.715 1.00 0.21 C ATOM 126 O ARG A 10 6.447 2.055 -2.489 1.00 0.18 O ATOM 127 CB ARG A 10 8.823 -0.370 -2.265 1.00 0.39 C ATOM 128 CG ARG A 10 10.262 -0.860 -2.156 1.00 0.52 C ATOM 129 CD ARG A 10 11.145 -0.268 -3.242 1.00 0.71 C ATOM 130 NE ARG A 10 10.845 -0.823 -4.560 1.00 1.28 N ATOM 131 CZ ARG A 10 10.619 -0.086 -5.647 1.00 1.73 C ATOM 132 NH1 ARG A 10 10.593 1.240 -5.574 1.00 1.45 N ATOM 133 NH2 ARG A 10 10.412 -0.681 -6.814 1.00 2.74 N ATOM 0 H ARG A 10 9.599 1.097 -0.241 1.00 0.31 H new ATOM 0 HA ARG A 10 8.907 1.619 -3.071 1.00 0.30 H new ATOM 0 HB2 ARG A 10 8.223 -0.864 -1.500 1.00 0.39 H new ATOM 0 HB3 ARG A 10 8.419 -0.673 -3.231 1.00 0.39 H new ATOM 0 HG2 ARG A 10 10.663 -0.595 -1.178 1.00 0.52 H new ATOM 0 HG3 ARG A 10 10.282 -1.948 -2.225 1.00 0.52 H new ATOM 0 HD2 ARG A 10 11.013 0.814 -3.266 1.00 0.71 H new ATOM 0 HD3 ARG A 10 12.191 -0.456 -3.000 1.00 0.71 H new ATOM 0 HE ARG A 10 10.806 -1.838 -4.654 1.00 1.28 H new ATOM 0 HH11 ARG A 10 10.747 1.705 -4.679 1.00 1.45 H new ATOM 0 HH12 ARG A 10 10.419 1.794 -6.413 1.00 1.45 H new ATOM 0 HH21 ARG A 10 10.426 -1.699 -6.877 1.00 2.74 H new ATOM 0 HH22 ARG A 10 10.239 -0.121 -7.648 1.00 2.74 H new ATOM 147 N PHE A 11 6.931 1.169 -0.462 1.00 0.19 N ATOM 148 CA PHE A 11 5.605 1.341 0.089 1.00 0.17 C ATOM 149 C PHE A 11 5.206 2.797 0.042 1.00 0.15 C ATOM 150 O PHE A 11 4.153 3.123 -0.477 1.00 0.12 O ATOM 151 CB PHE A 11 5.541 0.853 1.542 1.00 0.22 C ATOM 152 CG PHE A 11 5.566 -0.642 1.730 1.00 0.21 C ATOM 153 CD1 PHE A 11 6.501 -1.442 1.089 1.00 0.56 C ATOM 154 CD2 PHE A 11 4.643 -1.241 2.562 1.00 0.44 C ATOM 155 CE1 PHE A 11 6.507 -2.808 1.277 1.00 0.56 C ATOM 156 CE2 PHE A 11 4.643 -2.604 2.752 1.00 0.46 C ATOM 157 CZ PHE A 11 5.575 -3.389 2.109 1.00 0.23 C ATOM 0 H PHE A 11 7.607 0.786 0.199 1.00 0.19 H new ATOM 0 HA PHE A 11 4.917 0.748 -0.513 1.00 0.17 H new ATOM 0 HB2 PHE A 11 6.380 1.284 2.088 1.00 0.22 H new ATOM 0 HB3 PHE A 11 4.631 1.243 1.997 1.00 0.22 H new ATOM 0 HD1 PHE A 11 7.232 -0.990 0.435 1.00 0.56 H new ATOM 0 HD2 PHE A 11 3.911 -0.632 3.071 1.00 0.44 H new ATOM 0 HE1 PHE A 11 7.240 -3.421 0.774 1.00 0.56 H new ATOM 0 HE2 PHE A 11 3.913 -3.058 3.405 1.00 0.46 H new ATOM 0 HZ PHE A 11 5.575 -4.459 2.257 1.00 0.23 H new ATOM 167 N GLN A 12 6.067 3.673 0.558 1.00 0.20 N ATOM 168 CA GLN A 12 5.736 5.093 0.666 1.00 0.22 C ATOM 169 C GLN A 12 5.404 5.695 -0.693 1.00 0.20 C ATOM 170 O GLN A 12 4.558 6.572 -0.780 1.00 0.21 O ATOM 171 CB GLN A 12 6.871 5.889 1.304 1.00 0.32 C ATOM 172 CG GLN A 12 6.462 7.305 1.688 1.00 0.36 C ATOM 173 CD GLN A 12 7.636 8.193 2.057 1.00 0.54 C ATOM 174 OE1 GLN A 12 7.583 9.407 1.875 1.00 1.14 O ATOM 175 NE2 GLN A 12 8.702 7.604 2.569 1.00 1.26 N ATOM 0 H GLN A 12 6.994 3.427 0.906 1.00 0.20 H new ATOM 0 HA GLN A 12 4.857 5.157 1.307 1.00 0.22 H new ATOM 0 HB2 GLN A 12 7.221 5.364 2.193 1.00 0.32 H new ATOM 0 HB3 GLN A 12 7.710 5.935 0.610 1.00 0.32 H new ATOM 0 HG2 GLN A 12 5.921 7.757 0.856 1.00 0.36 H new ATOM 0 HG3 GLN A 12 5.771 7.260 2.530 1.00 0.36 H new ATOM 0 HE21 GLN A 12 8.710 6.593 2.706 1.00 1.26 H new ATOM 0 HE22 GLN A 12 9.517 8.160 2.828 1.00 1.26 H new ATOM 184 N GLN A 13 6.054 5.217 -1.747 1.00 0.21 N ATOM 185 CA GLN A 13 5.773 5.720 -3.086 1.00 0.23 C ATOM 186 C GLN A 13 4.351 5.356 -3.476 1.00 0.19 C ATOM 187 O GLN A 13 3.553 6.211 -3.881 1.00 0.21 O ATOM 188 CB GLN A 13 6.782 5.170 -4.100 1.00 0.28 C ATOM 189 CG GLN A 13 8.212 5.575 -3.779 1.00 0.37 C ATOM 190 CD GLN A 13 8.314 7.041 -3.407 1.00 0.59 C ATOM 191 OE1 GLN A 13 8.536 7.906 -4.256 1.00 1.19 O ATOM 192 NE2 GLN A 13 8.148 7.324 -2.124 1.00 0.44 N ATOM 0 H GLN A 13 6.770 4.492 -1.703 1.00 0.21 H new ATOM 0 HA GLN A 13 5.871 6.806 -3.086 1.00 0.23 H new ATOM 0 HB2 GLN A 13 6.713 4.082 -4.123 1.00 0.28 H new ATOM 0 HB3 GLN A 13 6.522 5.527 -5.096 1.00 0.28 H new ATOM 0 HG2 GLN A 13 8.586 4.965 -2.957 1.00 0.37 H new ATOM 0 HG3 GLN A 13 8.848 5.374 -4.641 1.00 0.37 H new ATOM 0 HE21 GLN A 13 7.966 6.575 -1.456 1.00 0.44 H new ATOM 0 HE22 GLN A 13 8.202 8.291 -1.804 1.00 0.44 H new ATOM 201 N GLN A 14 4.017 4.091 -3.293 1.00 0.16 N ATOM 202 CA GLN A 14 2.650 3.646 -3.515 1.00 0.15 C ATOM 203 C GLN A 14 1.706 4.260 -2.480 1.00 0.13 C ATOM 204 O GLN A 14 0.495 4.359 -2.696 1.00 0.14 O ATOM 205 CB GLN A 14 2.568 2.125 -3.471 1.00 0.16 C ATOM 206 CG GLN A 14 2.913 1.443 -4.787 1.00 0.22 C ATOM 207 CD GLN A 14 4.390 1.469 -5.103 1.00 0.53 C ATOM 208 OE1 GLN A 14 4.892 2.397 -5.734 1.00 1.24 O ATOM 209 NE2 GLN A 14 5.092 0.439 -4.674 1.00 0.37 N ATOM 0 H GLN A 14 4.663 3.360 -2.995 1.00 0.16 H new ATOM 0 HA GLN A 14 2.340 3.981 -4.505 1.00 0.15 H new ATOM 0 HB2 GLN A 14 3.242 1.758 -2.697 1.00 0.16 H new ATOM 0 HB3 GLN A 14 1.559 1.835 -3.178 1.00 0.16 H new ATOM 0 HG2 GLN A 14 2.574 0.408 -4.752 1.00 0.22 H new ATOM 0 HG3 GLN A 14 2.367 1.930 -5.595 1.00 0.22 H new ATOM 0 HE21 GLN A 14 4.634 -0.309 -4.154 1.00 0.37 H new ATOM 0 HE22 GLN A 14 6.093 0.390 -4.862 1.00 0.37 H new ATOM 218 N LEU A 15 2.270 4.698 -1.364 1.00 0.13 N ATOM 219 CA LEU A 15 1.487 5.296 -0.297 1.00 0.13 C ATOM 220 C LEU A 15 1.123 6.729 -0.631 1.00 0.15 C ATOM 221 O LEU A 15 0.039 7.172 -0.285 1.00 0.17 O ATOM 222 CB LEU A 15 2.214 5.219 1.056 1.00 0.15 C ATOM 223 CG LEU A 15 2.315 3.807 1.644 1.00 0.14 C ATOM 224 CD1 LEU A 15 2.709 3.830 3.113 1.00 0.20 C ATOM 225 CD2 LEU A 15 1.002 3.087 1.461 1.00 0.16 C ATOM 0 H LEU A 15 3.271 4.649 -1.175 1.00 0.13 H new ATOM 0 HA LEU A 15 0.566 4.719 -0.207 1.00 0.13 H new ATOM 0 HB2 LEU A 15 3.220 5.622 0.937 1.00 0.15 H new ATOM 0 HB3 LEU A 15 1.696 5.860 1.769 1.00 0.15 H new ATOM 0 HG LEU A 15 3.101 3.274 1.109 1.00 0.14 H new ATOM 0 HD11 LEU A 15 2.769 2.809 3.490 1.00 0.20 H new ATOM 0 HD12 LEU A 15 3.679 4.315 3.222 1.00 0.20 H new ATOM 0 HD13 LEU A 15 1.961 4.383 3.682 1.00 0.20 H new ATOM 0 HD21 LEU A 15 1.076 2.083 1.880 1.00 0.16 H new ATOM 0 HD22 LEU A 15 0.212 3.636 1.972 1.00 0.16 H new ATOM 0 HD23 LEU A 15 0.769 3.021 0.398 1.00 0.16 H new ATOM 237 N GLU A 16 2.022 7.450 -1.301 1.00 0.16 N ATOM 238 CA GLU A 16 1.706 8.781 -1.816 1.00 0.19 C ATOM 239 C GLU A 16 0.630 8.654 -2.873 1.00 0.16 C ATOM 240 O GLU A 16 -0.238 9.514 -3.021 1.00 0.17 O ATOM 241 CB GLU A 16 2.932 9.440 -2.444 1.00 0.28 C ATOM 242 CG GLU A 16 4.157 9.408 -1.559 1.00 0.37 C ATOM 243 CD GLU A 16 5.371 10.021 -2.225 1.00 0.54 C ATOM 244 OE1 GLU A 16 5.224 11.039 -2.923 1.00 0.88 O ATOM 245 OE2 GLU A 16 6.489 9.494 -2.033 1.00 0.62 O ATOM 0 H GLU A 16 2.972 7.135 -1.499 1.00 0.16 H new ATOM 0 HA GLU A 16 1.368 9.399 -0.984 1.00 0.19 H new ATOM 0 HB2 GLU A 16 3.161 8.940 -3.385 1.00 0.28 H new ATOM 0 HB3 GLU A 16 2.694 10.476 -2.684 1.00 0.28 H new ATOM 0 HG2 GLU A 16 3.946 9.943 -0.633 1.00 0.37 H new ATOM 0 HG3 GLU A 16 4.378 8.376 -1.288 1.00 0.37 H new ATOM 252 N GLN A 17 0.698 7.557 -3.600 1.00 0.15 N ATOM 253 CA GLN A 17 -0.280 7.255 -4.623 1.00 0.17 C ATOM 254 C GLN A 17 -1.666 7.057 -4.010 1.00 0.17 C ATOM 255 O GLN A 17 -2.624 7.710 -4.415 1.00 0.22 O ATOM 256 CB GLN A 17 0.153 6.007 -5.359 1.00 0.18 C ATOM 257 CG GLN A 17 -0.731 5.645 -6.542 1.00 0.27 C ATOM 258 CD GLN A 17 -0.041 4.709 -7.516 1.00 0.27 C ATOM 259 OE1 GLN A 17 -0.313 4.734 -8.716 1.00 0.37 O ATOM 260 NE2 GLN A 17 0.867 3.889 -7.011 1.00 0.18 N ATOM 0 H GLN A 17 1.429 6.853 -3.498 1.00 0.15 H new ATOM 0 HA GLN A 17 -0.342 8.091 -5.319 1.00 0.17 H new ATOM 0 HB2 GLN A 17 1.176 6.142 -5.711 1.00 0.18 H new ATOM 0 HB3 GLN A 17 0.165 5.171 -4.659 1.00 0.18 H new ATOM 0 HG2 GLN A 17 -1.646 5.176 -6.178 1.00 0.27 H new ATOM 0 HG3 GLN A 17 -1.025 6.556 -7.064 1.00 0.27 H new ATOM 0 HE21 GLN A 17 1.063 3.899 -6.010 1.00 0.18 H new ATOM 0 HE22 GLN A 17 1.371 3.247 -7.623 1.00 0.18 H new ATOM 269 N LEU A 18 -1.763 6.177 -3.007 1.00 0.14 N ATOM 270 CA LEU A 18 -3.027 5.945 -2.309 1.00 0.14 C ATOM 271 C LEU A 18 -3.432 7.206 -1.588 1.00 0.13 C ATOM 272 O LEU A 18 -4.607 7.535 -1.471 1.00 0.15 O ATOM 273 CB LEU A 18 -2.895 4.833 -1.275 1.00 0.12 C ATOM 274 CG LEU A 18 -2.852 3.408 -1.795 1.00 0.14 C ATOM 275 CD1 LEU A 18 -2.628 2.491 -0.621 1.00 0.16 C ATOM 276 CD2 LEU A 18 -4.148 3.045 -2.501 1.00 0.17 C ATOM 0 H LEU A 18 -0.983 5.617 -2.663 1.00 0.14 H new ATOM 0 HA LEU A 18 -3.772 5.655 -3.050 1.00 0.14 H new ATOM 0 HB2 LEU A 18 -1.986 5.011 -0.701 1.00 0.12 H new ATOM 0 HB3 LEU A 18 -3.732 4.915 -0.581 1.00 0.12 H new ATOM 0 HG LEU A 18 -2.044 3.307 -2.520 1.00 0.14 H new ATOM 0 HD11 LEU A 18 -2.593 1.458 -0.968 1.00 0.16 H new ATOM 0 HD12 LEU A 18 -1.685 2.744 -0.137 1.00 0.16 H new ATOM 0 HD13 LEU A 18 -3.444 2.607 0.092 1.00 0.16 H new ATOM 0 HD21 LEU A 18 -4.090 2.019 -2.864 1.00 0.17 H new ATOM 0 HD22 LEU A 18 -4.980 3.137 -1.803 1.00 0.17 H new ATOM 0 HD23 LEU A 18 -4.305 3.719 -3.343 1.00 0.17 H new ATOM 288 N ASN A 19 -2.421 7.892 -1.103 1.00 0.13 N ATOM 289 CA ASN A 19 -2.577 9.171 -0.435 1.00 0.15 C ATOM 290 C ASN A 19 -3.343 10.135 -1.315 1.00 0.18 C ATOM 291 O ASN A 19 -4.135 10.951 -0.846 1.00 0.20 O ATOM 292 CB ASN A 19 -1.188 9.739 -0.152 1.00 0.17 C ATOM 293 CG ASN A 19 -1.190 10.927 0.788 1.00 0.22 C ATOM 294 OD1 ASN A 19 -1.144 10.762 2.004 1.00 0.25 O ATOM 295 ND2 ASN A 19 -1.203 12.129 0.232 1.00 0.25 N ATOM 0 H ASN A 19 -1.453 7.575 -1.161 1.00 0.13 H new ATOM 0 HA ASN A 19 -3.131 9.033 0.493 1.00 0.15 H new ATOM 0 HB2 ASN A 19 -0.565 8.953 0.273 1.00 0.17 H new ATOM 0 HB3 ASN A 19 -0.728 10.035 -1.095 1.00 0.17 H new ATOM 0 HD21 ASN A 19 -1.174 12.963 0.819 1.00 0.25 H new ATOM 0 HD22 ASN A 19 -1.242 12.221 -0.783 1.00 0.25 H new ATOM 302 N SER A 20 -3.108 9.993 -2.600 1.00 0.21 N ATOM 303 CA SER A 20 -3.696 10.875 -3.602 1.00 0.26 C ATOM 304 C SER A 20 -5.072 10.351 -4.018 1.00 0.26 C ATOM 305 O SER A 20 -5.871 11.056 -4.632 1.00 0.34 O ATOM 306 CB SER A 20 -2.758 10.971 -4.810 1.00 0.36 C ATOM 307 OG SER A 20 -3.169 11.970 -5.731 1.00 0.66 O ATOM 0 H SER A 20 -2.506 9.266 -2.987 1.00 0.21 H new ATOM 0 HA SER A 20 -3.827 11.872 -3.181 1.00 0.26 H new ATOM 0 HB2 SER A 20 -1.747 11.190 -4.466 1.00 0.36 H new ATOM 0 HB3 SER A 20 -2.720 10.006 -5.316 1.00 0.36 H new ATOM 0 HG SER A 20 -4.148 12.020 -5.744 1.00 0.66 H new ATOM 313 N MET A 21 -5.328 9.101 -3.658 1.00 0.22 N ATOM 314 CA MET A 21 -6.585 8.424 -3.958 1.00 0.24 C ATOM 315 C MET A 21 -7.639 8.805 -2.931 1.00 0.25 C ATOM 316 O MET A 21 -8.835 8.629 -3.150 1.00 0.38 O ATOM 317 CB MET A 21 -6.365 6.912 -3.899 1.00 0.24 C ATOM 318 CG MET A 21 -5.270 6.416 -4.818 1.00 0.30 C ATOM 319 SD MET A 21 -5.872 5.937 -6.448 1.00 0.79 S ATOM 320 CE MET A 21 -7.034 4.648 -6.007 1.00 1.41 C ATOM 0 H MET A 21 -4.664 8.522 -3.145 1.00 0.22 H new ATOM 0 HA MET A 21 -6.922 8.720 -4.951 1.00 0.24 H new ATOM 0 HB2 MET A 21 -6.122 6.630 -2.875 1.00 0.24 H new ATOM 0 HB3 MET A 21 -7.297 6.409 -4.156 1.00 0.24 H new ATOM 0 HG2 MET A 21 -4.518 7.197 -4.931 1.00 0.30 H new ATOM 0 HG3 MET A 21 -4.776 5.562 -4.355 1.00 0.30 H new ATOM 0 HE1 MET A 21 -6.947 3.823 -6.714 1.00 1.41 H new ATOM 0 HE2 MET A 21 -6.815 4.289 -5.001 1.00 1.41 H new ATOM 0 HE3 MET A 21 -8.048 5.046 -6.037 1.00 1.41 H new ATOM 330 N GLY A 22 -7.169 9.330 -1.815 1.00 0.18 N ATOM 331 CA GLY A 22 -8.035 9.595 -0.689 1.00 0.18 C ATOM 332 C GLY A 22 -7.819 8.580 0.409 1.00 0.16 C ATOM 333 O GLY A 22 -8.587 8.503 1.368 1.00 0.19 O ATOM 0 H GLY A 22 -6.191 9.580 -1.667 1.00 0.18 H new ATOM 0 HA2 GLY A 22 -7.843 10.597 -0.306 1.00 0.18 H new ATOM 0 HA3 GLY A 22 -9.076 9.571 -1.012 1.00 0.18 H new ATOM 337 N PHE A 23 -6.762 7.798 0.259 1.00 0.14 N ATOM 338 CA PHE A 23 -6.404 6.792 1.241 1.00 0.14 C ATOM 339 C PHE A 23 -5.225 7.263 2.077 1.00 0.11 C ATOM 340 O PHE A 23 -4.085 7.295 1.616 1.00 0.11 O ATOM 341 CB PHE A 23 -6.080 5.472 0.544 1.00 0.16 C ATOM 342 CG PHE A 23 -7.302 4.731 0.080 1.00 0.21 C ATOM 343 CD1 PHE A 23 -8.121 4.075 0.988 1.00 0.25 C ATOM 344 CD2 PHE A 23 -7.618 4.673 -1.267 1.00 0.30 C ATOM 345 CE1 PHE A 23 -9.238 3.383 0.557 1.00 0.32 C ATOM 346 CE2 PHE A 23 -8.734 3.983 -1.701 1.00 0.37 C ATOM 347 CZ PHE A 23 -9.582 3.388 -0.768 1.00 0.36 C ATOM 0 H PHE A 23 -6.133 7.843 -0.542 1.00 0.14 H new ATOM 0 HA PHE A 23 -7.251 6.633 1.908 1.00 0.14 H new ATOM 0 HB2 PHE A 23 -5.436 5.670 -0.313 1.00 0.16 H new ATOM 0 HB3 PHE A 23 -5.516 4.837 1.227 1.00 0.16 H new ATOM 0 HD1 PHE A 23 -7.884 4.105 2.041 1.00 0.25 H new ATOM 0 HD2 PHE A 23 -6.986 5.172 -1.986 1.00 0.30 H new ATOM 0 HE1 PHE A 23 -9.841 2.837 1.268 1.00 0.32 H new ATOM 0 HE2 PHE A 23 -8.948 3.905 -2.757 1.00 0.37 H new ATOM 0 HZ PHE A 23 -10.507 2.933 -1.089 1.00 0.36 H new ATOM 357 N ILE A 24 -5.510 7.632 3.312 1.00 0.12 N ATOM 358 CA ILE A 24 -4.493 8.165 4.206 1.00 0.12 C ATOM 359 C ILE A 24 -4.446 7.397 5.515 1.00 0.15 C ATOM 360 O ILE A 24 -3.847 7.854 6.484 1.00 0.23 O ATOM 361 CB ILE A 24 -4.673 9.677 4.508 1.00 0.14 C ATOM 362 CG1 ILE A 24 -6.158 10.076 4.586 1.00 0.13 C ATOM 363 CG2 ILE A 24 -3.943 10.516 3.467 1.00 0.19 C ATOM 364 CD1 ILE A 24 -6.787 10.365 3.237 1.00 0.14 C ATOM 0 H ILE A 24 -6.442 7.573 3.723 1.00 0.12 H new ATOM 0 HA ILE A 24 -3.550 8.042 3.674 1.00 0.12 H new ATOM 0 HB ILE A 24 -4.236 9.871 5.487 1.00 0.14 H new ATOM 0 HG12 ILE A 24 -6.715 9.274 5.071 1.00 0.13 H new ATOM 0 HG13 ILE A 24 -6.254 10.959 5.218 1.00 0.13 H new ATOM 0 HG21 ILE A 24 -4.078 11.574 3.692 1.00 0.19 H new ATOM 0 HG22 ILE A 24 -2.880 10.274 3.485 1.00 0.19 H new ATOM 0 HG23 ILE A 24 -4.347 10.301 2.478 1.00 0.19 H new ATOM 0 HD11 ILE A 24 -7.833 10.639 3.374 1.00 0.14 H new ATOM 0 HD12 ILE A 24 -6.257 11.187 2.757 1.00 0.14 H new ATOM 0 HD13 ILE A 24 -6.724 9.477 2.608 1.00 0.14 H new ATOM 376 N ASN A 25 -5.051 6.217 5.537 1.00 0.18 N ATOM 377 CA ASN A 25 -4.896 5.332 6.672 1.00 0.21 C ATOM 378 C ASN A 25 -3.619 4.571 6.446 1.00 0.18 C ATOM 379 O ASN A 25 -3.637 3.489 5.872 1.00 0.17 O ATOM 380 CB ASN A 25 -6.067 4.354 6.834 1.00 0.28 C ATOM 381 CG ASN A 25 -6.121 3.773 8.237 1.00 1.19 C ATOM 382 OD1 ASN A 25 -5.603 4.363 9.180 1.00 1.80 O ATOM 383 ND2 ASN A 25 -6.782 2.640 8.393 1.00 1.84 N ATOM 0 H ASN A 25 -5.645 5.858 4.790 1.00 0.18 H new ATOM 0 HA ASN A 25 -4.873 5.921 7.589 1.00 0.21 H new ATOM 0 HB2 ASN A 25 -7.003 4.868 6.616 1.00 0.28 H new ATOM 0 HB3 ASN A 25 -5.970 3.546 6.109 1.00 0.28 H new ATOM 0 HD21 ASN A 25 -6.875 2.227 9.321 1.00 1.84 H new ATOM 0 HD22 ASN A 25 -7.200 2.178 7.585 1.00 1.84 H new ATOM 390 N ARG A 26 -2.510 5.183 6.831 1.00 0.22 N ATOM 391 CA ARG A 26 -1.190 4.655 6.537 1.00 0.25 C ATOM 392 C ARG A 26 -1.102 3.178 6.825 1.00 0.23 C ATOM 393 O ARG A 26 -0.665 2.411 5.979 1.00 0.24 O ATOM 394 CB ARG A 26 -0.153 5.378 7.368 1.00 0.45 C ATOM 395 CG ARG A 26 0.282 6.706 6.799 1.00 0.60 C ATOM 396 CD ARG A 26 0.897 6.531 5.427 1.00 0.51 C ATOM 397 NE ARG A 26 -0.098 6.607 4.365 1.00 0.95 N ATOM 398 CZ ARG A 26 0.057 7.358 3.277 1.00 1.10 C ATOM 399 NH1 ARG A 26 1.171 8.064 3.118 1.00 1.42 N ATOM 400 NH2 ARG A 26 -0.906 7.424 2.369 1.00 1.63 N ATOM 0 H ARG A 26 -2.501 6.058 7.355 1.00 0.22 H new ATOM 0 HA ARG A 26 -1.004 4.811 5.474 1.00 0.25 H new ATOM 0 HB2 ARG A 26 -0.554 5.538 8.369 1.00 0.45 H new ATOM 0 HB3 ARG A 26 0.722 4.737 7.474 1.00 0.45 H new ATOM 0 HG2 ARG A 26 -0.575 7.377 6.735 1.00 0.60 H new ATOM 0 HG3 ARG A 26 1.004 7.174 7.468 1.00 0.60 H new ATOM 0 HD2 ARG A 26 1.654 7.299 5.269 1.00 0.51 H new ATOM 0 HD3 ARG A 26 1.405 5.568 5.378 1.00 0.51 H new ATOM 0 HE ARG A 26 -0.953 6.059 4.460 1.00 0.95 H new ATOM 0 HH11 ARG A 26 1.903 8.029 3.828 1.00 1.42 H new ATOM 0 HH12 ARG A 26 1.295 8.641 2.286 1.00 1.42 H new ATOM 0 HH21 ARG A 26 -1.770 6.898 2.503 1.00 1.63 H new ATOM 0 HH22 ARG A 26 -0.783 8.001 1.537 1.00 1.63 H new ATOM 414 N GLU A 27 -1.543 2.796 8.009 1.00 0.25 N ATOM 415 CA GLU A 27 -1.543 1.398 8.407 1.00 0.29 C ATOM 416 C GLU A 27 -2.274 0.537 7.377 1.00 0.24 C ATOM 417 O GLU A 27 -1.723 -0.437 6.892 1.00 0.26 O ATOM 418 CB GLU A 27 -2.150 1.214 9.803 1.00 0.42 C ATOM 419 CG GLU A 27 -3.493 1.904 10.005 1.00 0.79 C ATOM 420 CD GLU A 27 -4.134 1.554 11.337 1.00 1.58 C ATOM 421 OE1 GLU A 27 -3.545 1.874 12.390 1.00 1.79 O ATOM 422 OE2 GLU A 27 -5.236 0.966 11.334 1.00 2.44 O ATOM 0 H GLU A 27 -1.907 3.436 8.715 1.00 0.25 H new ATOM 0 HA GLU A 27 -0.505 1.067 8.451 1.00 0.29 H new ATOM 0 HB2 GLU A 27 -2.271 0.148 9.995 1.00 0.42 H new ATOM 0 HB3 GLU A 27 -1.446 1.593 10.544 1.00 0.42 H new ATOM 0 HG2 GLU A 27 -3.356 2.984 9.944 1.00 0.79 H new ATOM 0 HG3 GLU A 27 -4.167 1.623 9.196 1.00 0.79 H new ATOM 429 N ALA A 28 -3.491 0.928 7.015 1.00 0.22 N ATOM 430 CA ALA A 28 -4.267 0.192 6.028 1.00 0.21 C ATOM 431 C ALA A 28 -3.526 0.149 4.699 1.00 0.15 C ATOM 432 O ALA A 28 -3.315 -0.924 4.131 1.00 0.14 O ATOM 433 CB ALA A 28 -5.645 0.816 5.849 1.00 0.26 C ATOM 0 H ALA A 28 -3.960 1.752 7.392 1.00 0.22 H new ATOM 0 HA ALA A 28 -4.400 -0.828 6.387 1.00 0.21 H new ATOM 0 HB1 ALA A 28 -6.207 0.249 5.107 1.00 0.26 H new ATOM 0 HB2 ALA A 28 -6.179 0.799 6.799 1.00 0.26 H new ATOM 0 HB3 ALA A 28 -5.537 1.847 5.513 1.00 0.26 H new ATOM 439 N ASN A 29 -3.132 1.329 4.225 1.00 0.14 N ATOM 440 CA ASN A 29 -2.376 1.477 2.990 1.00 0.10 C ATOM 441 C ASN A 29 -1.194 0.506 2.934 1.00 0.10 C ATOM 442 O ASN A 29 -1.163 -0.406 2.105 1.00 0.09 O ATOM 443 CB ASN A 29 -1.865 2.922 2.865 1.00 0.11 C ATOM 444 CG ASN A 29 -2.969 3.954 2.672 1.00 0.11 C ATOM 445 OD1 ASN A 29 -4.109 3.761 3.085 1.00 0.14 O ATOM 446 ND2 ASN A 29 -2.628 5.086 2.064 1.00 0.11 N ATOM 0 H ASN A 29 -3.331 2.213 4.693 1.00 0.14 H new ATOM 0 HA ASN A 29 -3.042 1.245 2.159 1.00 0.10 H new ATOM 0 HB2 ASN A 29 -1.298 3.175 3.761 1.00 0.11 H new ATOM 0 HB3 ASN A 29 -1.175 2.981 2.023 1.00 0.11 H new ATOM 0 HD21 ASN A 29 -3.321 5.822 1.930 1.00 0.11 H new ATOM 0 HD22 ASN A 29 -1.673 5.218 1.731 1.00 0.11 H new ATOM 453 N LEU A 30 -0.237 0.668 3.839 1.00 0.11 N ATOM 454 CA LEU A 30 0.994 -0.105 3.757 1.00 0.12 C ATOM 455 C LEU A 30 0.788 -1.556 4.167 1.00 0.11 C ATOM 456 O LEU A 30 1.526 -2.407 3.716 1.00 0.11 O ATOM 457 CB LEU A 30 2.152 0.543 4.543 1.00 0.17 C ATOM 458 CG LEU A 30 1.844 1.080 5.952 1.00 0.21 C ATOM 459 CD1 LEU A 30 1.577 -0.039 6.943 1.00 0.24 C ATOM 460 CD2 LEU A 30 2.989 1.952 6.445 1.00 0.27 C ATOM 0 H LEU A 30 -0.287 1.316 4.625 1.00 0.11 H new ATOM 0 HA LEU A 30 1.283 -0.102 2.706 1.00 0.12 H new ATOM 0 HB2 LEU A 30 2.951 -0.193 4.631 1.00 0.17 H new ATOM 0 HB3 LEU A 30 2.542 1.368 3.947 1.00 0.17 H new ATOM 0 HG LEU A 30 0.936 1.679 5.881 1.00 0.21 H new ATOM 0 HD11 LEU A 30 1.364 0.387 7.924 1.00 0.24 H new ATOM 0 HD12 LEU A 30 0.721 -0.625 6.608 1.00 0.24 H new ATOM 0 HD13 LEU A 30 2.454 -0.683 7.009 1.00 0.24 H new ATOM 0 HD21 LEU A 30 2.758 2.325 7.443 1.00 0.27 H new ATOM 0 HD22 LEU A 30 3.906 1.363 6.481 1.00 0.27 H new ATOM 0 HD23 LEU A 30 3.125 2.793 5.765 1.00 0.27 H new ATOM 472 N GLN A 31 -0.221 -1.848 4.990 1.00 0.11 N ATOM 473 CA GLN A 31 -0.549 -3.242 5.316 1.00 0.13 C ATOM 474 C GLN A 31 -0.958 -3.966 4.056 1.00 0.09 C ATOM 475 O GLN A 31 -0.635 -5.139 3.844 1.00 0.09 O ATOM 476 CB GLN A 31 -1.688 -3.328 6.328 1.00 0.20 C ATOM 477 CG GLN A 31 -1.245 -3.182 7.771 1.00 0.30 C ATOM 478 CD GLN A 31 -2.416 -3.212 8.740 1.00 1.19 C ATOM 479 OE1 GLN A 31 -2.281 -3.649 9.884 1.00 1.52 O ATOM 480 NE2 GLN A 31 -3.571 -2.752 8.280 1.00 2.18 N ATOM 0 H GLN A 31 -0.818 -1.153 5.438 1.00 0.11 H new ATOM 0 HA GLN A 31 0.336 -3.703 5.755 1.00 0.13 H new ATOM 0 HB2 GLN A 31 -2.419 -2.552 6.103 1.00 0.20 H new ATOM 0 HB3 GLN A 31 -2.194 -4.286 6.209 1.00 0.20 H new ATOM 0 HG2 GLN A 31 -0.551 -3.985 8.019 1.00 0.30 H new ATOM 0 HG3 GLN A 31 -0.703 -2.244 7.889 1.00 0.30 H new ATOM 0 HE21 GLN A 31 -3.636 -2.400 7.325 1.00 2.18 H new ATOM 0 HE22 GLN A 31 -4.395 -2.750 8.881 1.00 2.18 H new ATOM 489 N ALA A 32 -1.632 -3.230 3.199 1.00 0.09 N ATOM 490 CA ALA A 32 -2.095 -3.768 1.945 1.00 0.09 C ATOM 491 C ALA A 32 -0.904 -3.961 1.038 1.00 0.06 C ATOM 492 O ALA A 32 -0.837 -4.903 0.245 1.00 0.08 O ATOM 493 CB ALA A 32 -3.128 -2.850 1.312 1.00 0.12 C ATOM 0 H ALA A 32 -1.871 -2.250 3.353 1.00 0.09 H new ATOM 0 HA ALA A 32 -2.582 -4.729 2.111 1.00 0.09 H new ATOM 0 HB1 ALA A 32 -3.463 -3.277 0.367 1.00 0.12 H new ATOM 0 HB2 ALA A 32 -3.980 -2.743 1.984 1.00 0.12 H new ATOM 0 HB3 ALA A 32 -2.683 -1.872 1.131 1.00 0.12 H new ATOM 499 N LEU A 33 0.058 -3.070 1.197 1.00 0.05 N ATOM 500 CA LEU A 33 1.294 -3.144 0.460 1.00 0.08 C ATOM 501 C LEU A 33 2.223 -4.193 1.050 1.00 0.09 C ATOM 502 O LEU A 33 3.135 -4.650 0.377 1.00 0.12 O ATOM 503 CB LEU A 33 1.985 -1.788 0.426 1.00 0.11 C ATOM 504 CG LEU A 33 1.576 -0.890 -0.732 1.00 0.14 C ATOM 505 CD1 LEU A 33 0.531 0.132 -0.319 1.00 0.13 C ATOM 506 CD2 LEU A 33 2.792 -0.202 -1.295 1.00 0.20 C ATOM 0 H LEU A 33 -0.001 -2.280 1.839 1.00 0.05 H new ATOM 0 HA LEU A 33 1.053 -3.438 -0.562 1.00 0.08 H new ATOM 0 HB2 LEU A 33 1.778 -1.267 1.361 1.00 0.11 H new ATOM 0 HB3 LEU A 33 3.062 -1.946 0.381 1.00 0.11 H new ATOM 0 HG LEU A 33 1.124 -1.518 -1.500 1.00 0.14 H new ATOM 0 HD11 LEU A 33 0.269 0.751 -1.177 1.00 0.13 H new ATOM 0 HD12 LEU A 33 -0.359 -0.383 0.042 1.00 0.13 H new ATOM 0 HD13 LEU A 33 0.932 0.762 0.474 1.00 0.13 H new ATOM 0 HD21 LEU A 33 2.495 0.440 -2.124 1.00 0.20 H new ATOM 0 HD22 LEU A 33 3.261 0.402 -0.518 1.00 0.20 H new ATOM 0 HD23 LEU A 33 3.501 -0.950 -1.651 1.00 0.20 H new ATOM 518 N ILE A 34 1.998 -4.569 2.308 1.00 0.08 N ATOM 519 CA ILE A 34 2.758 -5.654 2.916 1.00 0.11 C ATOM 520 C ILE A 34 2.368 -6.957 2.260 1.00 0.11 C ATOM 521 O ILE A 34 3.219 -7.729 1.826 1.00 0.19 O ATOM 522 CB ILE A 34 2.518 -5.787 4.440 1.00 0.16 C ATOM 523 CG1 ILE A 34 2.842 -4.480 5.157 1.00 0.20 C ATOM 524 CG2 ILE A 34 3.359 -6.922 5.013 1.00 0.22 C ATOM 525 CD1 ILE A 34 2.749 -4.569 6.667 1.00 0.34 C ATOM 0 H ILE A 34 1.302 -4.142 2.919 1.00 0.08 H new ATOM 0 HA ILE A 34 3.813 -5.423 2.766 1.00 0.11 H new ATOM 0 HB ILE A 34 1.464 -6.014 4.599 1.00 0.16 H new ATOM 0 HG12 ILE A 34 3.849 -4.166 4.883 1.00 0.20 H new ATOM 0 HG13 ILE A 34 2.160 -3.705 4.806 1.00 0.20 H new ATOM 0 HG21 ILE A 34 3.179 -7.003 6.085 1.00 0.22 H new ATOM 0 HG22 ILE A 34 3.085 -7.859 4.528 1.00 0.22 H new ATOM 0 HG23 ILE A 34 4.415 -6.717 4.837 1.00 0.22 H new ATOM 0 HD11 ILE A 34 2.993 -3.601 7.104 1.00 0.34 H new ATOM 0 HD12 ILE A 34 1.736 -4.851 6.953 1.00 0.34 H new ATOM 0 HD13 ILE A 34 3.451 -5.319 7.031 1.00 0.34 H new ATOM 537 N ALA A 35 1.066 -7.179 2.163 1.00 0.11 N ATOM 538 CA ALA A 35 0.555 -8.416 1.599 1.00 0.14 C ATOM 539 C ALA A 35 0.736 -8.472 0.084 1.00 0.12 C ATOM 540 O ALA A 35 0.710 -9.550 -0.506 1.00 0.19 O ATOM 541 CB ALA A 35 -0.905 -8.594 1.968 1.00 0.23 C ATOM 0 H ALA A 35 0.348 -6.521 2.466 1.00 0.11 H new ATOM 0 HA ALA A 35 1.134 -9.236 2.023 1.00 0.14 H new ATOM 0 HB1 ALA A 35 -1.278 -9.525 1.540 1.00 0.23 H new ATOM 0 HB2 ALA A 35 -1.005 -8.628 3.053 1.00 0.23 H new ATOM 0 HB3 ALA A 35 -1.484 -7.757 1.577 1.00 0.23 H new ATOM 547 N THR A 36 0.907 -7.317 -0.551 1.00 0.12 N ATOM 548 CA THR A 36 1.111 -7.287 -1.996 1.00 0.14 C ATOM 549 C THR A 36 2.582 -7.068 -2.360 1.00 0.14 C ATOM 550 O THR A 36 2.999 -7.357 -3.481 1.00 0.17 O ATOM 551 CB THR A 36 0.259 -6.186 -2.646 1.00 0.16 C ATOM 552 OG1 THR A 36 0.569 -4.921 -2.048 1.00 0.17 O ATOM 553 CG2 THR A 36 -1.224 -6.476 -2.478 1.00 0.17 C ATOM 0 H THR A 36 0.909 -6.403 -0.098 1.00 0.12 H new ATOM 0 HA THR A 36 0.802 -8.260 -2.378 1.00 0.14 H new ATOM 0 HB THR A 36 0.488 -6.158 -3.711 1.00 0.16 H new ATOM 0 HG1 THR A 36 -0.113 -4.699 -1.381 1.00 0.17 H new ATOM 0 HG21 THR A 36 -1.805 -5.682 -2.947 1.00 0.17 H new ATOM 0 HG22 THR A 36 -1.464 -7.429 -2.950 1.00 0.17 H new ATOM 0 HG23 THR A 36 -1.467 -6.526 -1.417 1.00 0.17 H new ATOM 561 N GLY A 37 3.360 -6.566 -1.407 1.00 0.14 N ATOM 562 CA GLY A 37 4.781 -6.337 -1.632 1.00 0.17 C ATOM 563 C GLY A 37 5.067 -5.199 -2.600 1.00 0.20 C ATOM 564 O GLY A 37 6.113 -5.184 -3.255 1.00 0.29 O ATOM 0 H GLY A 37 3.032 -6.311 -0.476 1.00 0.14 H new ATOM 0 HA2 GLY A 37 5.262 -6.121 -0.678 1.00 0.17 H new ATOM 0 HA3 GLY A 37 5.232 -7.252 -2.016 1.00 0.17 H new ATOM 568 N GLY A 38 4.145 -4.244 -2.703 1.00 0.17 N ATOM 569 CA GLY A 38 4.362 -3.108 -3.571 1.00 0.25 C ATOM 570 C GLY A 38 3.490 -3.169 -4.798 1.00 0.21 C ATOM 571 O GLY A 38 3.767 -2.516 -5.805 1.00 0.37 O ATOM 0 H GLY A 38 3.257 -4.240 -2.202 1.00 0.17 H new ATOM 0 HA2 GLY A 38 4.157 -2.188 -3.024 1.00 0.25 H new ATOM 0 HA3 GLY A 38 5.410 -3.074 -3.870 1.00 0.25 H new ATOM 575 N ASP A 39 2.418 -3.935 -4.700 1.00 0.11 N ATOM 576 CA ASP A 39 1.463 -4.030 -5.780 1.00 0.14 C ATOM 577 C ASP A 39 0.273 -3.209 -5.378 1.00 0.13 C ATOM 578 O ASP A 39 -0.681 -3.695 -4.767 1.00 0.16 O ATOM 579 CB ASP A 39 1.051 -5.471 -6.077 1.00 0.20 C ATOM 580 CG ASP A 39 0.092 -5.564 -7.253 1.00 0.28 C ATOM 581 OD1 ASP A 39 -0.174 -4.523 -7.891 1.00 0.52 O ATOM 582 OD2 ASP A 39 -0.411 -6.679 -7.543 1.00 0.64 O ATOM 0 H ASP A 39 2.190 -4.499 -3.881 1.00 0.11 H new ATOM 0 HA ASP A 39 1.914 -3.660 -6.701 1.00 0.14 H new ATOM 0 HB2 ASP A 39 1.940 -6.065 -6.288 1.00 0.20 H new ATOM 0 HB3 ASP A 39 0.582 -5.902 -5.193 1.00 0.20 H new ATOM 587 N ILE A 40 0.367 -1.945 -5.701 1.00 0.15 N ATOM 588 CA ILE A 40 -0.533 -0.954 -5.183 1.00 0.17 C ATOM 589 C ILE A 40 -1.948 -1.176 -5.681 1.00 0.19 C ATOM 590 O ILE A 40 -2.903 -0.874 -4.985 1.00 0.22 O ATOM 591 CB ILE A 40 -0.028 0.438 -5.533 1.00 0.20 C ATOM 592 CG1 ILE A 40 -0.621 1.451 -4.563 1.00 0.25 C ATOM 593 CG2 ILE A 40 -0.326 0.793 -6.989 1.00 0.29 C ATOM 594 CD1 ILE A 40 -1.781 2.255 -5.112 1.00 0.52 C ATOM 0 H ILE A 40 1.075 -1.575 -6.335 1.00 0.15 H new ATOM 0 HA ILE A 40 -0.563 -1.046 -4.097 1.00 0.17 H new ATOM 0 HB ILE A 40 1.057 0.458 -5.431 1.00 0.20 H new ATOM 0 HG12 ILE A 40 -0.954 0.924 -3.669 1.00 0.25 H new ATOM 0 HG13 ILE A 40 0.165 2.139 -4.253 1.00 0.25 H new ATOM 0 HG21 ILE A 40 0.049 1.794 -7.203 1.00 0.29 H new ATOM 0 HG22 ILE A 40 0.163 0.074 -7.646 1.00 0.29 H new ATOM 0 HG23 ILE A 40 -1.403 0.765 -7.157 1.00 0.29 H new ATOM 0 HD11 ILE A 40 -2.136 2.949 -4.350 1.00 0.52 H new ATOM 0 HD12 ILE A 40 -1.453 2.815 -5.988 1.00 0.52 H new ATOM 0 HD13 ILE A 40 -2.590 1.581 -5.394 1.00 0.52 H new ATOM 606 N ASN A 41 -2.065 -1.758 -6.861 1.00 0.19 N ATOM 607 CA ASN A 41 -3.361 -2.045 -7.444 1.00 0.26 C ATOM 608 C ASN A 41 -4.117 -3.003 -6.538 1.00 0.24 C ATOM 609 O ASN A 41 -5.283 -2.786 -6.197 1.00 0.26 O ATOM 610 CB ASN A 41 -3.200 -2.676 -8.833 1.00 0.33 C ATOM 611 CG ASN A 41 -2.188 -1.952 -9.705 1.00 0.68 C ATOM 612 OD1 ASN A 41 -2.524 -0.999 -10.409 1.00 1.29 O ATOM 613 ND2 ASN A 41 -0.940 -2.409 -9.677 1.00 0.64 N ATOM 0 H ASN A 41 -1.272 -2.042 -7.436 1.00 0.19 H new ATOM 0 HA ASN A 41 -3.915 -1.112 -7.547 1.00 0.26 H new ATOM 0 HB2 ASN A 41 -2.894 -3.716 -8.719 1.00 0.33 H new ATOM 0 HB3 ASN A 41 -4.166 -2.681 -9.337 1.00 0.33 H new ATOM 0 HD21 ASN A 41 -0.222 -1.968 -10.252 1.00 0.64 H new ATOM 0 HD22 ASN A 41 -0.700 -3.201 -9.081 1.00 0.64 H new ATOM 620 N ALA A 42 -3.419 -4.048 -6.119 1.00 0.22 N ATOM 621 CA ALA A 42 -3.989 -5.049 -5.246 1.00 0.22 C ATOM 622 C ALA A 42 -4.090 -4.506 -3.830 1.00 0.22 C ATOM 623 O ALA A 42 -4.966 -4.906 -3.075 1.00 0.29 O ATOM 624 CB ALA A 42 -3.164 -6.324 -5.283 1.00 0.22 C ATOM 0 H ALA A 42 -2.447 -4.221 -6.376 1.00 0.22 H new ATOM 0 HA ALA A 42 -4.993 -5.292 -5.595 1.00 0.22 H new ATOM 0 HB1 ALA A 42 -3.609 -7.065 -4.619 1.00 0.22 H new ATOM 0 HB2 ALA A 42 -3.143 -6.714 -6.301 1.00 0.22 H new ATOM 0 HB3 ALA A 42 -2.147 -6.109 -4.956 1.00 0.22 H new ATOM 630 N ALA A 43 -3.181 -3.596 -3.472 1.00 0.17 N ATOM 631 CA ALA A 43 -3.280 -2.879 -2.211 1.00 0.19 C ATOM 632 C ALA A 43 -4.642 -2.199 -2.094 1.00 0.22 C ATOM 633 O ALA A 43 -5.302 -2.286 -1.059 1.00 0.24 O ATOM 634 CB ALA A 43 -2.161 -1.853 -2.093 1.00 0.19 C ATOM 0 H ALA A 43 -2.372 -3.343 -4.040 1.00 0.17 H new ATOM 0 HA ALA A 43 -3.178 -3.595 -1.395 1.00 0.19 H new ATOM 0 HB1 ALA A 43 -2.250 -1.325 -1.143 1.00 0.19 H new ATOM 0 HB2 ALA A 43 -1.197 -2.359 -2.138 1.00 0.19 H new ATOM 0 HB3 ALA A 43 -2.234 -1.139 -2.913 1.00 0.19 H new ATOM 640 N ILE A 44 -5.075 -1.546 -3.174 1.00 0.24 N ATOM 641 CA ILE A 44 -6.388 -0.894 -3.187 1.00 0.28 C ATOM 642 C ILE A 44 -7.476 -1.942 -3.152 1.00 0.32 C ATOM 643 O ILE A 44 -8.501 -1.764 -2.494 1.00 0.38 O ATOM 644 CB ILE A 44 -6.628 0.009 -4.415 1.00 0.27 C ATOM 645 CG1 ILE A 44 -5.311 0.560 -4.929 1.00 0.37 C ATOM 646 CG2 ILE A 44 -7.567 1.150 -4.034 1.00 0.32 C ATOM 647 CD1 ILE A 44 -5.452 1.654 -5.966 1.00 0.36 C ATOM 0 H ILE A 44 -4.545 -1.454 -4.041 1.00 0.24 H new ATOM 0 HA ILE A 44 -6.411 -0.255 -2.304 1.00 0.28 H new ATOM 0 HB ILE A 44 -7.086 -0.581 -5.209 1.00 0.27 H new ATOM 0 HG12 ILE A 44 -4.739 0.947 -4.086 1.00 0.37 H new ATOM 0 HG13 ILE A 44 -4.732 -0.258 -5.358 1.00 0.37 H new ATOM 0 HG21 ILE A 44 -7.736 1.787 -4.902 1.00 0.32 H new ATOM 0 HG22 ILE A 44 -8.518 0.740 -3.694 1.00 0.32 H new ATOM 0 HG23 ILE A 44 -7.118 1.738 -3.234 1.00 0.32 H new ATOM 0 HD11 ILE A 44 -4.463 1.989 -6.278 1.00 0.36 H new ATOM 0 HD12 ILE A 44 -5.994 1.269 -6.830 1.00 0.36 H new ATOM 0 HD13 ILE A 44 -6.001 2.493 -5.538 1.00 0.36 H new ATOM 659 N GLU A 45 -7.242 -3.045 -3.855 1.00 0.31 N ATOM 660 CA GLU A 45 -8.157 -4.178 -3.814 1.00 0.39 C ATOM 661 C GLU A 45 -8.273 -4.726 -2.395 1.00 0.35 C ATOM 662 O GLU A 45 -9.235 -5.411 -2.065 1.00 0.41 O ATOM 663 CB GLU A 45 -7.703 -5.291 -4.761 1.00 0.51 C ATOM 664 CG GLU A 45 -7.892 -4.967 -6.233 1.00 1.14 C ATOM 665 CD GLU A 45 -7.662 -6.174 -7.116 1.00 1.68 C ATOM 666 OE1 GLU A 45 -8.469 -7.124 -7.056 1.00 2.01 O ATOM 667 OE2 GLU A 45 -6.678 -6.173 -7.887 1.00 2.35 O ATOM 0 H GLU A 45 -6.430 -3.178 -4.457 1.00 0.31 H new ATOM 0 HA GLU A 45 -9.134 -3.822 -4.140 1.00 0.39 H new ATOM 0 HB2 GLU A 45 -6.649 -5.501 -4.579 1.00 0.51 H new ATOM 0 HB3 GLU A 45 -8.255 -6.201 -4.526 1.00 0.51 H new ATOM 0 HG2 GLU A 45 -8.901 -4.588 -6.394 1.00 1.14 H new ATOM 0 HG3 GLU A 45 -7.204 -4.172 -6.520 1.00 1.14 H new ATOM 674 N ARG A 46 -7.296 -4.423 -1.550 1.00 0.29 N ATOM 675 CA ARG A 46 -7.351 -4.867 -0.161 1.00 0.30 C ATOM 676 C ARG A 46 -8.102 -3.857 0.686 1.00 0.30 C ATOM 677 O ARG A 46 -8.917 -4.226 1.529 1.00 0.38 O ATOM 678 CB ARG A 46 -5.954 -5.086 0.412 1.00 0.37 C ATOM 679 CG ARG A 46 -5.128 -6.093 -0.360 1.00 0.47 C ATOM 680 CD ARG A 46 -3.858 -6.434 0.383 1.00 0.53 C ATOM 681 NE ARG A 46 -4.121 -7.288 1.538 1.00 1.35 N ATOM 682 CZ ARG A 46 -4.164 -8.619 1.478 1.00 1.50 C ATOM 683 NH1 ARG A 46 -3.949 -9.249 0.326 1.00 1.48 N ATOM 684 NH2 ARG A 46 -4.385 -9.321 2.576 1.00 2.47 N ATOM 0 H ARG A 46 -6.468 -3.880 -1.795 1.00 0.29 H new ATOM 0 HA ARG A 46 -7.879 -5.820 -0.140 1.00 0.30 H new ATOM 0 HB2 ARG A 46 -5.425 -4.133 0.429 1.00 0.37 H new ATOM 0 HB3 ARG A 46 -6.044 -5.420 1.446 1.00 0.37 H new ATOM 0 HG2 ARG A 46 -5.712 -6.999 -0.524 1.00 0.47 H new ATOM 0 HG3 ARG A 46 -4.882 -5.690 -1.342 1.00 0.47 H new ATOM 0 HD2 ARG A 46 -3.166 -6.937 -0.292 1.00 0.53 H new ATOM 0 HD3 ARG A 46 -3.371 -5.516 0.712 1.00 0.53 H new ATOM 0 HE ARG A 46 -4.281 -6.841 2.441 1.00 1.35 H new ATOM 0 HH11 ARG A 46 -3.750 -8.713 -0.519 1.00 1.48 H new ATOM 0 HH12 ARG A 46 -3.983 -10.268 0.288 1.00 1.48 H new ATOM 0 HH21 ARG A 46 -4.522 -8.844 3.467 1.00 2.47 H new ATOM 0 HH22 ARG A 46 -4.418 -10.340 2.532 1.00 2.47 H new ATOM 698 N LEU A 47 -7.824 -2.585 0.447 1.00 0.27 N ATOM 699 CA LEU A 47 -8.472 -1.503 1.179 1.00 0.28 C ATOM 700 C LEU A 47 -9.969 -1.504 0.923 1.00 0.36 C ATOM 701 O LEU A 47 -10.769 -1.396 1.853 1.00 0.45 O ATOM 702 CB LEU A 47 -7.885 -0.164 0.752 1.00 0.27 C ATOM 703 CG LEU A 47 -6.379 -0.032 0.954 1.00 0.20 C ATOM 704 CD1 LEU A 47 -5.876 1.279 0.384 1.00 0.23 C ATOM 705 CD2 LEU A 47 -6.024 -0.147 2.427 1.00 0.26 C ATOM 0 H LEU A 47 -7.150 -2.273 -0.252 1.00 0.27 H new ATOM 0 HA LEU A 47 -8.297 -1.656 2.244 1.00 0.28 H new ATOM 0 HB2 LEU A 47 -8.111 -0.004 -0.302 1.00 0.27 H new ATOM 0 HB3 LEU A 47 -8.383 0.629 1.309 1.00 0.27 H new ATOM 0 HG LEU A 47 -5.890 -0.847 0.420 1.00 0.20 H new ATOM 0 HD11 LEU A 47 -4.800 1.354 0.538 1.00 0.23 H new ATOM 0 HD12 LEU A 47 -6.093 1.319 -0.683 1.00 0.23 H new ATOM 0 HD13 LEU A 47 -6.373 2.109 0.887 1.00 0.23 H new ATOM 0 HD21 LEU A 47 -4.945 -0.050 2.550 1.00 0.26 H new ATOM 0 HD22 LEU A 47 -6.525 0.644 2.985 1.00 0.26 H new ATOM 0 HD23 LEU A 47 -6.347 -1.117 2.804 1.00 0.26 H new ATOM 717 N LEU A 48 -10.332 -1.620 -0.343 1.00 0.38 N ATOM 718 CA LEU A 48 -11.727 -1.701 -0.738 1.00 0.53 C ATOM 719 C LEU A 48 -12.271 -3.078 -0.431 1.00 0.64 C ATOM 720 O LEU A 48 -13.419 -3.230 -0.007 1.00 0.76 O ATOM 721 CB LEU A 48 -11.867 -1.447 -2.238 1.00 0.65 C ATOM 722 CG LEU A 48 -11.152 -0.209 -2.782 1.00 0.76 C ATOM 723 CD1 LEU A 48 -11.239 -0.188 -4.299 1.00 1.76 C ATOM 724 CD2 LEU A 48 -11.742 1.060 -2.192 1.00 0.96 C ATOM 0 H LEU A 48 -9.673 -1.660 -1.121 1.00 0.38 H new ATOM 0 HA LEU A 48 -12.285 -0.947 -0.183 1.00 0.53 H new ATOM 0 HB2 LEU A 48 -11.492 -2.321 -2.770 1.00 0.65 H new ATOM 0 HB3 LEU A 48 -12.928 -1.361 -2.474 1.00 0.65 H new ATOM 0 HG LEU A 48 -10.103 -0.255 -2.490 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -10.728 0.696 -4.681 1.00 1.76 H new ATOM 0 HD12 LEU A 48 -10.766 -1.083 -4.703 1.00 1.76 H new ATOM 0 HD13 LEU A 48 -12.285 -0.162 -4.603 1.00 1.76 H new ATOM 0 HD21 LEU A 48 -11.217 1.926 -2.594 1.00 0.96 H new ATOM 0 HD22 LEU A 48 -12.799 1.124 -2.450 1.00 0.96 H new ATOM 0 HD23 LEU A 48 -11.634 1.041 -1.108 1.00 0.96 H new ATOM 736 N GLY A 49 -11.440 -4.081 -0.643 1.00 0.64 N ATOM 737 CA GLY A 49 -11.896 -5.428 -0.517 1.00 0.81 C ATOM 738 C GLY A 49 -12.465 -5.882 -1.821 1.00 1.05 C ATOM 739 O GLY A 49 -13.610 -5.583 -2.114 1.00 1.28 O ATOM 0 H GLY A 49 -10.458 -3.978 -0.900 1.00 0.64 H new ATOM 0 HA2 GLY A 49 -11.071 -6.077 -0.222 1.00 0.81 H new ATOM 0 HA3 GLY A 49 -12.651 -5.496 0.266 1.00 0.81 H new ATOM 743 N SER A 50 -11.612 -6.511 -2.619 1.00 1.83 N ATOM 744 CA SER A 50 -11.967 -7.037 -3.935 1.00 3.08 C ATOM 745 C SER A 50 -13.442 -7.432 -4.015 1.00 3.74 C ATOM 746 O SER A 50 -13.852 -8.481 -3.514 1.00 4.31 O ATOM 747 CB SER A 50 -11.074 -8.237 -4.269 1.00 3.61 C ATOM 748 OG SER A 50 -9.709 -7.860 -4.322 1.00 3.14 O ATOM 0 H SER A 50 -10.637 -6.674 -2.368 1.00 1.83 H new ATOM 0 HA SER A 50 -11.806 -6.246 -4.667 1.00 3.08 H new ATOM 0 HB2 SER A 50 -11.210 -9.015 -3.518 1.00 3.61 H new ATOM 0 HB3 SER A 50 -11.374 -8.662 -5.227 1.00 3.61 H new ATOM 0 HG SER A 50 -9.440 -7.736 -5.256 1.00 3.14 H new ATOM 754 N GLN A 51 -14.223 -6.557 -4.635 1.00 3.84 N ATOM 755 CA GLN A 51 -15.650 -6.741 -4.770 1.00 4.55 C ATOM 756 C GLN A 51 -15.972 -6.924 -6.236 1.00 5.54 C ATOM 757 O GLN A 51 -16.240 -5.960 -6.952 1.00 5.65 O ATOM 758 CB GLN A 51 -16.404 -5.532 -4.201 1.00 4.01 C ATOM 759 CG GLN A 51 -16.404 -5.467 -2.680 1.00 2.96 C ATOM 760 CD GLN A 51 -16.967 -4.168 -2.136 1.00 2.48 C ATOM 761 OE1 GLN A 51 -18.169 -4.041 -1.904 1.00 2.75 O ATOM 762 NE2 GLN A 51 -16.088 -3.209 -1.886 1.00 2.21 N ATOM 0 H GLN A 51 -13.876 -5.697 -5.059 1.00 3.84 H new ATOM 0 HA GLN A 51 -15.964 -7.622 -4.210 1.00 4.55 H new ATOM 0 HB2 GLN A 51 -15.957 -4.619 -4.594 1.00 4.01 H new ATOM 0 HB3 GLN A 51 -17.435 -5.560 -4.554 1.00 4.01 H new ATOM 0 HG2 GLN A 51 -16.987 -6.300 -2.287 1.00 2.96 H new ATOM 0 HG3 GLN A 51 -15.384 -5.593 -2.318 1.00 2.96 H new ATOM 0 HE21 GLN A 51 -15.100 -3.356 -2.094 1.00 2.21 H new ATOM 0 HE22 GLN A 51 -16.399 -2.324 -1.486 1.00 2.21 H new ATOM 771 N LEU A 52 -15.891 -8.158 -6.688 1.00 6.35 N ATOM 772 CA LEU A 52 -16.098 -8.465 -8.085 1.00 7.37 C ATOM 773 C LEU A 52 -17.394 -9.234 -8.254 1.00 8.31 C ATOM 774 O LEU A 52 -17.395 -10.457 -8.397 1.00 9.00 O ATOM 775 CB LEU A 52 -14.918 -9.263 -8.656 1.00 7.77 C ATOM 776 CG LEU A 52 -13.559 -8.545 -8.681 1.00 7.13 C ATOM 777 CD1 LEU A 52 -12.935 -8.473 -7.292 1.00 6.91 C ATOM 778 CD2 LEU A 52 -12.612 -9.239 -9.646 1.00 7.10 C ATOM 0 H LEU A 52 -15.682 -8.967 -6.104 1.00 6.35 H new ATOM 0 HA LEU A 52 -16.164 -7.529 -8.640 1.00 7.37 H new ATOM 0 HB2 LEU A 52 -14.811 -10.179 -8.074 1.00 7.77 H new ATOM 0 HB3 LEU A 52 -15.167 -9.560 -9.675 1.00 7.77 H new ATOM 0 HG LEU A 52 -13.732 -7.524 -9.022 1.00 7.13 H new ATOM 0 HD11 LEU A 52 -11.976 -7.959 -7.350 1.00 6.91 H new ATOM 0 HD12 LEU A 52 -13.599 -7.927 -6.622 1.00 6.91 H new ATOM 0 HD13 LEU A 52 -12.783 -9.482 -6.909 1.00 6.91 H new ATOM 0 HD21 LEU A 52 -11.654 -8.719 -9.653 1.00 7.10 H new ATOM 0 HD22 LEU A 52 -12.462 -10.271 -9.330 1.00 7.10 H new ATOM 0 HD23 LEU A 52 -13.039 -9.225 -10.649 1.00 7.10 H new ATOM 790 N SER A 53 -18.495 -8.509 -8.189 1.00 8.34 N ATOM 791 CA SER A 53 -19.812 -9.100 -8.312 1.00 9.25 C ATOM 792 C SER A 53 -20.780 -8.072 -8.885 1.00 9.26 C ATOM 793 O SER A 53 -21.275 -8.281 -10.011 1.00 9.68 O ATOM 794 CB SER A 53 -20.292 -9.591 -6.944 1.00 9.66 C ATOM 795 OG SER A 53 -21.416 -10.450 -7.060 1.00 10.04 O ATOM 796 OXT SER A 53 -20.986 -7.024 -8.230 1.00 9.00 O ATOM 0 H SER A 53 -18.501 -7.499 -8.050 1.00 8.34 H new ATOM 0 HA SER A 53 -19.767 -9.954 -8.988 1.00 9.25 H new ATOM 0 HB2 SER A 53 -19.481 -10.118 -6.441 1.00 9.66 H new ATOM 0 HB3 SER A 53 -20.551 -8.735 -6.320 1.00 9.66 H new ATOM 0 HG SER A 53 -21.695 -10.746 -6.168 1.00 10.04 H new TER 802 SER A 53