USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 470 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 26 GLN :FLIP amide:sc= -3.23! C(o=-5.6!,f=-2.8!) USER MOD Set 1.2: A 55 GLN :FLIP amide:sc= 0.468 F(o=-5.6!,f=-2.8) USER MOD Set 2.1: A 39 SER OG : rot -107:sc= 1.56 USER MOD Set 2.2: A 40 GLN : amide:sc= 1.21 K(o=3.1,f=0.4) USER MOD Set 2.3: A 43 ASN : amide:sc= 0.325 K(o=3.1,f=1.4) USER MOD Set 3.1: A 21 ASN : amide:sc= -0.537 K(o=-0.99,f=-7.2!) USER MOD Set 3.2: A 52 ASN :FLIP amide:sc= -0.448 F(o=-2.9,f=-0.99) USER MOD Single : A 1 VAL N :NH3+ 176:sc= -0.186 (180deg=-0.217) USER MOD Single : A 3 ASN : amide:sc= -0.423 K(o=-0.42,f=-6.3!) USER MOD Single : A 4 LYS NZ :NH3+ 163:sc= 0.676 (180deg=0.54) USER MOD Single : A 6 ASN :FLIP amide:sc= -0.182 F(o=-1.4,f=-0.18) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -154:sc= -1.77 (180deg=-4.41!) USER MOD Single : A 11 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.085) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.285 K(o=0.29,f=-2.5!) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 27 LYS NZ :NH3+ 169:sc= 1.3 (180deg=1.14) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 137:sc= 0.209 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 130:sc= 0.698 (180deg=0.165) USER MOD Single : A 58 LYS NZ :NH3+ 160:sc= -0.0813 (180deg=-0.609) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 5.167 20.305 3.644 1.00 0.00 N ATOM 2 CA VAL A 1 5.223 18.935 3.049 1.00 0.00 C ATOM 3 C VAL A 1 3.897 18.198 3.303 1.00 0.00 C ATOM 4 O VAL A 1 3.759 17.021 2.957 1.00 0.00 O ATOM 5 CB VAL A 1 6.419 18.169 3.669 1.00 0.00 C ATOM 6 CG1 VAL A 1 6.101 17.732 5.110 1.00 0.00 C ATOM 7 CG2 VAL A 1 6.745 16.926 2.824 1.00 0.00 C ATOM 0 H1 VAL A 1 6.089 20.772 3.528 1.00 0.00 H new ATOM 0 H2 VAL A 1 4.433 20.863 3.162 1.00 0.00 H new ATOM 0 H3 VAL A 1 4.940 20.235 4.656 1.00 0.00 H new ATOM 0 HA VAL A 1 5.366 18.999 1.970 1.00 0.00 H new ATOM 0 HB VAL A 1 7.278 18.839 3.684 1.00 0.00 H new ATOM 0 HG11 VAL A 1 6.955 17.196 5.525 1.00 0.00 H new ATOM 0 HG12 VAL A 1 5.894 18.612 5.720 1.00 0.00 H new ATOM 0 HG13 VAL A 1 5.229 17.078 5.108 1.00 0.00 H new ATOM 0 HG21 VAL A 1 7.587 16.395 3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 1 5.876 16.269 2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 1 7.003 17.233 1.810 1.00 0.00 H new ATOM 17 N ASP A 2 2.929 18.900 3.913 1.00 0.00 N ATOM 18 CA ASP A 2 1.620 18.311 4.219 1.00 0.00 C ATOM 19 C ASP A 2 0.950 17.752 2.961 1.00 0.00 C ATOM 20 O ASP A 2 0.344 16.679 3.004 1.00 0.00 O ATOM 21 CB ASP A 2 0.713 19.372 4.862 1.00 0.00 C ATOM 22 CG ASP A 2 -0.596 18.732 5.338 1.00 0.00 C ATOM 23 OD1 ASP A 2 -0.582 18.115 6.392 1.00 0.00 O ATOM 24 OD2 ASP A 2 -1.588 18.863 4.639 1.00 0.00 O ATOM 0 H ASP A 2 3.029 19.873 4.202 1.00 0.00 H new ATOM 0 HA ASP A 2 1.774 17.486 4.914 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.226 19.837 5.704 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.499 20.162 4.143 1.00 0.00 H new ATOM 29 N ASN A 3 1.070 18.477 1.845 1.00 0.00 N ATOM 30 CA ASN A 3 0.473 18.035 0.581 1.00 0.00 C ATOM 31 C ASN A 3 1.035 16.671 0.164 1.00 0.00 C ATOM 32 O ASN A 3 0.291 15.794 -0.285 1.00 0.00 O ATOM 33 CB ASN A 3 0.727 19.081 -0.521 1.00 0.00 C ATOM 34 CG ASN A 3 2.224 19.249 -0.804 1.00 0.00 C ATOM 35 OD1 ASN A 3 3.050 19.193 0.109 1.00 0.00 O ATOM 36 ND2 ASN A 3 2.623 19.462 -2.027 1.00 0.00 N ATOM 0 H ASN A 3 1.570 19.364 1.790 1.00 0.00 H new ATOM 0 HA ASN A 3 -0.602 17.931 0.724 1.00 0.00 H new ATOM 0 HB2 ASN A 3 0.215 18.780 -1.435 1.00 0.00 H new ATOM 0 HB3 ASN A 3 0.303 20.039 -0.219 1.00 0.00 H new ATOM 0 HD21 ASN A 3 3.616 19.582 -2.226 1.00 0.00 H new ATOM 0 HD22 ASN A 3 1.942 19.509 -2.785 1.00 0.00 H new ATOM 43 N LYS A 4 2.349 16.501 0.333 1.00 0.00 N ATOM 44 CA LYS A 4 3.023 15.246 -0.010 1.00 0.00 C ATOM 45 C LYS A 4 2.616 14.125 0.952 1.00 0.00 C ATOM 46 O LYS A 4 2.243 13.031 0.521 1.00 0.00 O ATOM 47 CB LYS A 4 4.548 15.455 0.060 1.00 0.00 C ATOM 48 CG LYS A 4 5.296 14.146 -0.261 1.00 0.00 C ATOM 49 CD LYS A 4 6.797 14.319 0.032 1.00 0.00 C ATOM 50 CE LYS A 4 7.388 12.989 0.517 1.00 0.00 C ATOM 51 NZ LYS A 4 7.354 11.997 -0.596 1.00 0.00 N ATOM 0 H LYS A 4 2.969 17.220 0.707 1.00 0.00 H new ATOM 0 HA LYS A 4 2.729 14.956 -1.019 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.846 16.231 -0.645 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.826 15.804 1.055 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.891 13.329 0.336 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.149 13.879 -1.308 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.316 14.652 -0.867 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.943 15.090 0.789 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.413 13.136 0.857 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.821 12.615 1.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.997 11.209 -0.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.386 11.633 -0.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.655 12.456 -1.479 1.00 0.00 H new ATOM 65 N PHE A 5 2.736 14.403 2.252 1.00 0.00 N ATOM 66 CA PHE A 5 2.429 13.413 3.290 1.00 0.00 C ATOM 67 C PHE A 5 0.962 12.971 3.281 1.00 0.00 C ATOM 68 O PHE A 5 0.647 11.888 3.773 1.00 0.00 O ATOM 69 CB PHE A 5 2.799 13.975 4.681 1.00 0.00 C ATOM 70 CG PHE A 5 3.884 13.117 5.305 1.00 0.00 C ATOM 71 CD1 PHE A 5 3.638 11.761 5.560 1.00 0.00 C ATOM 72 CD2 PHE A 5 5.135 13.670 5.618 1.00 0.00 C ATOM 73 CE1 PHE A 5 4.636 10.959 6.123 1.00 0.00 C ATOM 74 CE2 PHE A 5 6.133 12.867 6.182 1.00 0.00 C ATOM 75 CZ PHE A 5 5.885 11.513 6.434 1.00 0.00 C ATOM 0 H PHE A 5 3.044 15.306 2.613 1.00 0.00 H new ATOM 0 HA PHE A 5 3.028 12.529 3.070 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.144 15.005 4.588 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.919 13.990 5.324 1.00 0.00 H new ATOM 0 HD1 PHE A 5 2.675 11.334 5.321 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.328 14.715 5.424 1.00 0.00 H new ATOM 0 HE1 PHE A 5 4.444 9.914 6.318 1.00 0.00 H new ATOM 0 HE2 PHE A 5 7.096 13.293 6.423 1.00 0.00 H new ATOM 0 HZ PHE A 5 6.657 10.895 6.868 1.00 0.00 H new ATOM 85 N ASN A 6 0.066 13.811 2.764 1.00 0.00 N ATOM 86 CA ASN A 6 -1.359 13.468 2.743 1.00 0.00 C ATOM 87 C ASN A 6 -1.778 12.761 1.445 1.00 0.00 C ATOM 88 O ASN A 6 -2.273 11.629 1.478 1.00 0.00 O ATOM 89 CB ASN A 6 -2.201 14.732 2.938 1.00 0.00 C ATOM 90 CG ASN A 6 -2.125 15.200 4.395 1.00 0.00 C ATOM 91 OD1 ASN A 6 -0.961 15.380 4.957 1.00 0.00 O flip ATOM 92 ND2 ASN A 6 -3.156 15.404 5.036 1.00 0.00 N flip ATOM 0 H ASN A 6 0.294 14.719 2.360 1.00 0.00 H new ATOM 0 HA ASN A 6 -1.533 12.770 3.562 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -1.844 15.521 2.276 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -3.238 14.533 2.666 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -4.066 15.263 4.597 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -3.100 15.714 6.006 1.00 0.00 H new ATOM 99 N LYS A 7 -1.618 13.462 0.317 1.00 0.00 N ATOM 100 CA LYS A 7 -2.026 12.936 -0.996 1.00 0.00 C ATOM 101 C LYS A 7 -1.342 11.610 -1.349 1.00 0.00 C ATOM 102 O LYS A 7 -2.006 10.672 -1.799 1.00 0.00 O ATOM 103 CB LYS A 7 -1.706 13.968 -2.092 1.00 0.00 C ATOM 104 CG LYS A 7 -2.443 15.296 -1.824 1.00 0.00 C ATOM 105 CD LYS A 7 -3.964 15.099 -1.944 1.00 0.00 C ATOM 106 CE LYS A 7 -4.670 16.460 -1.898 1.00 0.00 C ATOM 107 NZ LYS A 7 -6.143 16.261 -2.014 1.00 0.00 N ATOM 0 H LYS A 7 -1.209 14.396 0.284 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.098 12.748 -0.938 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.631 14.144 -2.129 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.998 13.574 -3.065 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.195 15.662 -0.828 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.111 16.053 -2.534 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.201 14.588 -2.877 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.323 14.465 -1.133 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.434 16.973 -0.965 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.313 17.094 -2.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.622 17.184 -1.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.360 15.789 -2.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.477 15.671 -1.225 1.00 0.00 H new ATOM 121 N GLU A 8 -0.023 11.546 -1.166 1.00 0.00 N ATOM 122 CA GLU A 8 0.739 10.335 -1.497 1.00 0.00 C ATOM 123 C GLU A 8 0.210 9.121 -0.724 1.00 0.00 C ATOM 124 O GLU A 8 0.000 8.038 -1.303 1.00 0.00 O ATOM 125 CB GLU A 8 2.220 10.559 -1.163 1.00 0.00 C ATOM 126 CG GLU A 8 3.069 9.390 -1.682 1.00 0.00 C ATOM 127 CD GLU A 8 4.523 9.562 -1.233 1.00 0.00 C ATOM 128 OE1 GLU A 8 5.162 10.496 -1.696 1.00 0.00 O ATOM 129 OE2 GLU A 8 4.976 8.762 -0.432 1.00 0.00 O ATOM 0 H GLU A 8 0.539 12.311 -0.793 1.00 0.00 H new ATOM 0 HA GLU A 8 0.625 10.134 -2.562 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.563 11.492 -1.610 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.345 10.657 -0.085 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.673 8.447 -1.307 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.018 9.347 -2.770 1.00 0.00 H new ATOM 136 N MET A 9 -0.005 9.313 0.579 1.00 0.00 N ATOM 137 CA MET A 9 -0.506 8.241 1.438 1.00 0.00 C ATOM 138 C MET A 9 -1.888 7.794 0.981 1.00 0.00 C ATOM 139 O MET A 9 -2.127 6.602 0.808 1.00 0.00 O ATOM 140 CB MET A 9 -0.580 8.721 2.906 1.00 0.00 C ATOM 141 CG MET A 9 0.487 8.020 3.770 1.00 0.00 C ATOM 142 SD MET A 9 1.744 9.214 4.292 1.00 0.00 S ATOM 143 CE MET A 9 2.290 9.733 2.644 1.00 0.00 C ATOM 0 H MET A 9 0.159 10.197 1.060 1.00 0.00 H new ATOM 0 HA MET A 9 0.182 7.399 1.369 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.435 9.801 2.947 1.00 0.00 H new ATOM 0 HB3 MET A 9 -1.572 8.517 3.310 1.00 0.00 H new ATOM 0 HG2 MET A 9 0.019 7.567 4.644 1.00 0.00 H new ATOM 0 HG3 MET A 9 0.953 7.213 3.204 1.00 0.00 H new ATOM 0 HE1 MET A 9 3.319 10.089 2.697 1.00 0.00 H new ATOM 0 HE2 MET A 9 2.233 8.887 1.959 1.00 0.00 H new ATOM 0 HE3 MET A 9 1.647 10.536 2.283 1.00 0.00 H new ATOM 153 N ARG A 10 -2.790 8.764 0.794 1.00 0.00 N ATOM 154 CA ARG A 10 -4.163 8.474 0.370 1.00 0.00 C ATOM 155 C ARG A 10 -4.193 7.667 -0.935 1.00 0.00 C ATOM 156 O ARG A 10 -4.990 6.729 -1.072 1.00 0.00 O ATOM 157 CB ARG A 10 -4.931 9.795 0.189 1.00 0.00 C ATOM 158 CG ARG A 10 -6.426 9.511 -0.028 1.00 0.00 C ATOM 159 CD ARG A 10 -7.211 10.829 -0.064 1.00 0.00 C ATOM 160 NE ARG A 10 -6.886 11.583 -1.278 1.00 0.00 N ATOM 161 CZ ARG A 10 -7.594 12.650 -1.663 1.00 0.00 C ATOM 162 NH1 ARG A 10 -8.602 13.076 -0.950 1.00 0.00 N ATOM 163 NH2 ARG A 10 -7.274 13.275 -2.760 1.00 0.00 N ATOM 0 H ARG A 10 -2.593 9.756 0.930 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.639 7.870 1.143 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.796 10.426 1.067 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.530 10.344 -0.663 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.569 8.967 -0.962 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.804 8.875 0.773 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.281 10.624 -0.031 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.974 11.425 0.817 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.094 11.284 -1.848 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.857 12.594 -0.088 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.134 13.891 -1.255 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.487 12.950 -3.321 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.811 14.089 -3.058 1.00 0.00 H new ATOM 177 N ASN A 11 -3.322 8.034 -1.882 1.00 0.00 N ATOM 178 CA ASN A 11 -3.258 7.345 -3.174 1.00 0.00 C ATOM 179 C ASN A 11 -2.965 5.852 -3.000 1.00 0.00 C ATOM 180 O ASN A 11 -3.786 5.009 -3.387 1.00 0.00 O ATOM 181 CB ASN A 11 -2.185 7.991 -4.067 1.00 0.00 C ATOM 182 CG ASN A 11 -2.749 9.228 -4.766 1.00 0.00 C ATOM 183 OD1 ASN A 11 -3.705 9.126 -5.534 1.00 0.00 O ATOM 184 ND2 ASN A 11 -2.214 10.396 -4.546 1.00 0.00 N ATOM 0 H ASN A 11 -2.656 8.800 -1.778 1.00 0.00 H new ATOM 0 HA ASN A 11 -4.233 7.443 -3.652 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.320 8.268 -3.465 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.839 7.272 -4.809 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -2.588 11.224 -5.010 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -1.422 10.482 -3.910 1.00 0.00 H new ATOM 191 N ALA A 12 -1.799 5.520 -2.426 1.00 0.00 N ATOM 192 CA ALA A 12 -1.441 4.104 -2.234 1.00 0.00 C ATOM 193 C ALA A 12 -2.349 3.435 -1.187 1.00 0.00 C ATOM 194 O ALA A 12 -2.504 2.214 -1.196 1.00 0.00 O ATOM 195 CB ALA A 12 0.041 3.957 -1.837 1.00 0.00 C ATOM 0 H ALA A 12 -1.105 6.190 -2.095 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.592 3.596 -3.186 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.278 2.902 -1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.671 4.373 -2.623 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.223 4.492 -0.905 1.00 0.00 H new ATOM 201 N TYR A 13 -2.942 4.239 -0.289 1.00 0.00 N ATOM 202 CA TYR A 13 -3.825 3.702 0.758 1.00 0.00 C ATOM 203 C TYR A 13 -5.005 2.938 0.155 1.00 0.00 C ATOM 204 O TYR A 13 -5.190 1.752 0.448 1.00 0.00 O ATOM 205 CB TYR A 13 -4.358 4.848 1.643 1.00 0.00 C ATOM 206 CG TYR A 13 -5.281 4.307 2.724 1.00 0.00 C ATOM 207 CD1 TYR A 13 -6.658 4.190 2.478 1.00 0.00 C ATOM 208 CD2 TYR A 13 -4.761 3.927 3.969 1.00 0.00 C ATOM 209 CE1 TYR A 13 -7.509 3.695 3.474 1.00 0.00 C ATOM 210 CE2 TYR A 13 -5.615 3.431 4.964 1.00 0.00 C ATOM 211 CZ TYR A 13 -6.987 3.315 4.715 1.00 0.00 C ATOM 212 OH TYR A 13 -7.826 2.827 5.696 1.00 0.00 O ATOM 0 H TYR A 13 -2.828 5.252 -0.267 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.238 3.011 1.363 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.523 5.378 2.102 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.894 5.570 1.028 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -7.062 4.482 1.520 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.702 4.016 4.162 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -8.568 3.607 3.284 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.214 3.138 5.923 1.00 0.00 H new ATOM 0 HH TYR A 13 -7.303 2.609 6.495 1.00 0.00 H new ATOM 222 N TRP A 14 -5.809 3.621 -0.670 1.00 0.00 N ATOM 223 CA TRP A 14 -6.979 2.972 -1.275 1.00 0.00 C ATOM 224 C TRP A 14 -6.570 1.995 -2.381 1.00 0.00 C ATOM 225 O TRP A 14 -7.213 0.955 -2.553 1.00 0.00 O ATOM 226 CB TRP A 14 -8.007 4.026 -1.768 1.00 0.00 C ATOM 227 CG TRP A 14 -7.774 4.477 -3.194 1.00 0.00 C ATOM 228 CD1 TRP A 14 -7.906 3.700 -4.301 1.00 0.00 C ATOM 229 CD2 TRP A 14 -7.431 5.810 -3.681 1.00 0.00 C ATOM 230 NE1 TRP A 14 -7.625 4.459 -5.421 1.00 0.00 N ATOM 231 CE2 TRP A 14 -7.332 5.766 -5.093 1.00 0.00 C ATOM 232 CE3 TRP A 14 -7.184 7.036 -3.040 1.00 0.00 C ATOM 233 CZ2 TRP A 14 -7.002 6.897 -5.840 1.00 0.00 C ATOM 234 CZ3 TRP A 14 -6.855 8.178 -3.791 1.00 0.00 C ATOM 235 CH2 TRP A 14 -6.763 8.108 -5.187 1.00 0.00 C ATOM 0 H TRP A 14 -5.677 4.599 -0.929 1.00 0.00 H new ATOM 0 HA TRP A 14 -7.472 2.379 -0.504 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -9.011 3.608 -1.687 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -7.969 4.894 -1.110 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -8.186 2.657 -4.305 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -7.633 4.097 -6.374 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -7.247 7.101 -1.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -6.932 6.836 -6.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.672 9.116 -3.288 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -6.508 8.989 -5.757 1.00 0.00 H new ATOM 246 N GLU A 15 -5.514 2.337 -3.131 1.00 0.00 N ATOM 247 CA GLU A 15 -5.053 1.478 -4.224 1.00 0.00 C ATOM 248 C GLU A 15 -4.661 0.093 -3.699 1.00 0.00 C ATOM 249 O GLU A 15 -5.071 -0.926 -4.260 1.00 0.00 O ATOM 250 CB GLU A 15 -3.856 2.128 -4.932 1.00 0.00 C ATOM 251 CG GLU A 15 -3.514 1.353 -6.222 1.00 0.00 C ATOM 252 CD GLU A 15 -4.630 1.482 -7.276 1.00 0.00 C ATOM 253 OE1 GLU A 15 -5.259 2.530 -7.345 1.00 0.00 O ATOM 254 OE2 GLU A 15 -4.837 0.524 -8.004 1.00 0.00 O ATOM 0 H GLU A 15 -4.971 3.191 -3.002 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.870 1.358 -4.935 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.086 3.166 -5.173 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.993 2.139 -4.266 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.578 1.729 -6.635 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.358 0.301 -5.984 1.00 0.00 H new ATOM 261 N ILE A 16 -3.876 0.066 -2.616 1.00 0.00 N ATOM 262 CA ILE A 16 -3.444 -1.203 -2.014 1.00 0.00 C ATOM 263 C ILE A 16 -4.628 -1.933 -1.374 1.00 0.00 C ATOM 264 O ILE A 16 -4.834 -3.127 -1.610 1.00 0.00 O ATOM 265 CB ILE A 16 -2.357 -0.938 -0.949 1.00 0.00 C ATOM 266 CG1 ILE A 16 -1.090 -0.385 -1.629 1.00 0.00 C ATOM 267 CG2 ILE A 16 -2.013 -2.241 -0.198 1.00 0.00 C ATOM 268 CD1 ILE A 16 -0.110 0.138 -0.571 1.00 0.00 C ATOM 0 H ILE A 16 -3.529 0.899 -2.141 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.033 -1.834 -2.802 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.736 -0.208 -0.234 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.615 -1.167 -2.221 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.357 0.417 -2.317 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.246 -2.039 0.549 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.907 -2.624 0.294 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.643 -2.982 -0.906 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.782 0.527 -1.062 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.585 0.934 0.003 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.170 -0.675 0.099 1.00 0.00 H new ATOM 280 N ALA A 17 -5.386 -1.203 -0.552 1.00 0.00 N ATOM 281 CA ALA A 17 -6.537 -1.774 0.148 1.00 0.00 C ATOM 282 C ALA A 17 -7.539 -2.406 -0.826 1.00 0.00 C ATOM 283 O ALA A 17 -8.308 -3.291 -0.438 1.00 0.00 O ATOM 284 CB ALA A 17 -7.239 -0.683 0.965 1.00 0.00 C ATOM 0 H ALA A 17 -5.223 -0.216 -0.356 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.168 -2.559 0.808 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.096 -1.112 1.485 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.542 -0.269 1.694 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.579 0.109 0.298 1.00 0.00 H new ATOM 290 N LEU A 18 -7.534 -1.932 -2.078 1.00 0.00 N ATOM 291 CA LEU A 18 -8.456 -2.435 -3.103 1.00 0.00 C ATOM 292 C LEU A 18 -8.329 -3.953 -3.292 1.00 0.00 C ATOM 293 O LEU A 18 -9.339 -4.634 -3.486 1.00 0.00 O ATOM 294 CB LEU A 18 -8.185 -1.722 -4.441 1.00 0.00 C ATOM 295 CG LEU A 18 -9.251 -2.110 -5.489 1.00 0.00 C ATOM 296 CD1 LEU A 18 -10.615 -1.520 -5.100 1.00 0.00 C ATOM 297 CD2 LEU A 18 -8.833 -1.563 -6.864 1.00 0.00 C ATOM 0 H LEU A 18 -6.902 -1.201 -2.405 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.471 -2.225 -2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.190 -0.642 -4.292 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.193 -1.988 -4.807 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.332 -3.196 -5.530 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.359 -1.800 -5.846 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.914 -1.907 -4.126 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.541 -0.434 -5.051 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.583 -1.835 -7.607 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.749 -0.477 -6.813 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.870 -1.989 -7.148 1.00 0.00 H new ATOM 309 N LEU A 19 -7.096 -4.477 -3.242 1.00 0.00 N ATOM 310 CA LEU A 19 -6.885 -5.920 -3.419 1.00 0.00 C ATOM 311 C LEU A 19 -7.460 -6.686 -2.209 1.00 0.00 C ATOM 312 O LEU A 19 -7.062 -6.430 -1.069 1.00 0.00 O ATOM 313 CB LEU A 19 -5.380 -6.222 -3.575 1.00 0.00 C ATOM 314 CG LEU A 19 -4.767 -5.579 -4.858 1.00 0.00 C ATOM 315 CD1 LEU A 19 -5.786 -5.482 -6.007 1.00 0.00 C ATOM 316 CD2 LEU A 19 -4.222 -4.176 -4.549 1.00 0.00 C ATOM 0 H LEU A 19 -6.246 -3.936 -3.084 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.401 -6.246 -4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.847 -5.854 -2.699 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.232 -7.301 -3.608 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.956 -6.233 -5.178 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.311 -5.028 -6.877 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.139 -6.480 -6.266 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.631 -4.869 -5.693 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.798 -3.743 -5.455 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.032 -3.542 -4.188 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.448 -4.246 -3.784 1.00 0.00 H new ATOM 328 N PRO A 20 -8.410 -7.592 -2.431 1.00 0.00 N ATOM 329 CA PRO A 20 -9.081 -8.379 -1.339 1.00 0.00 C ATOM 330 C PRO A 20 -8.400 -9.704 -0.958 1.00 0.00 C ATOM 331 O PRO A 20 -8.809 -10.333 0.022 1.00 0.00 O ATOM 332 CB PRO A 20 -10.447 -8.659 -1.962 1.00 0.00 C ATOM 333 CG PRO A 20 -10.141 -8.898 -3.404 1.00 0.00 C ATOM 334 CD PRO A 20 -8.964 -7.977 -3.750 1.00 0.00 C ATOM 0 HA PRO A 20 -9.075 -7.826 -0.400 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.924 -9.526 -1.506 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.126 -7.816 -1.832 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.883 -9.942 -3.579 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -11.006 -8.675 -4.028 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.221 -8.491 -4.360 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.293 -7.105 -4.315 1.00 0.00 H new ATOM 342 N ASN A 21 -7.409 -10.152 -1.740 1.00 0.00 N ATOM 343 CA ASN A 21 -6.749 -11.436 -1.472 1.00 0.00 C ATOM 344 C ASN A 21 -5.462 -11.281 -0.664 1.00 0.00 C ATOM 345 O ASN A 21 -4.831 -12.288 -0.323 1.00 0.00 O ATOM 346 CB ASN A 21 -6.463 -12.153 -2.801 1.00 0.00 C ATOM 347 CG ASN A 21 -5.619 -11.277 -3.723 1.00 0.00 C ATOM 348 OD1 ASN A 21 -5.116 -10.227 -3.314 1.00 0.00 O ATOM 349 ND2 ASN A 21 -5.441 -11.647 -4.957 1.00 0.00 N ATOM 0 H ASN A 21 -7.050 -9.652 -2.553 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.428 -12.034 -0.864 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.943 -13.091 -2.608 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.403 -12.405 -3.292 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.885 -11.069 -5.588 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.857 -12.515 -5.294 1.00 0.00 H new ATOM 356 N LEU A 22 -5.078 -10.044 -0.330 1.00 0.00 N ATOM 357 CA LEU A 22 -3.866 -9.837 0.468 1.00 0.00 C ATOM 358 C LEU A 22 -4.138 -10.205 1.917 1.00 0.00 C ATOM 359 O LEU A 22 -5.124 -9.744 2.500 1.00 0.00 O ATOM 360 CB LEU A 22 -3.388 -8.377 0.430 1.00 0.00 C ATOM 361 CG LEU A 22 -3.008 -7.954 -0.993 1.00 0.00 C ATOM 362 CD1 LEU A 22 -3.002 -6.422 -1.083 1.00 0.00 C ATOM 363 CD2 LEU A 22 -1.603 -8.471 -1.321 1.00 0.00 C ATOM 0 H LEU A 22 -5.574 -9.192 -0.592 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.090 -10.470 0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.175 -7.724 0.808 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.529 -8.256 1.090 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.730 -8.367 -1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.732 -6.118 -2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.994 -6.039 -0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.276 -6.019 -0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.332 -8.171 -2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.887 -8.052 -0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.590 -9.559 -1.250 1.00 0.00 H new ATOM 375 N ASN A 23 -3.254 -11.023 2.493 1.00 0.00 N ATOM 376 CA ASN A 23 -3.406 -11.432 3.898 1.00 0.00 C ATOM 377 C ASN A 23 -3.536 -10.188 4.785 1.00 0.00 C ATOM 378 O ASN A 23 -2.982 -9.134 4.458 1.00 0.00 O ATOM 379 CB ASN A 23 -2.203 -12.265 4.354 1.00 0.00 C ATOM 380 CG ASN A 23 -2.455 -12.815 5.758 1.00 0.00 C ATOM 381 OD1 ASN A 23 -1.980 -12.248 6.743 1.00 0.00 O ATOM 382 ND2 ASN A 23 -3.178 -13.890 5.908 1.00 0.00 N ATOM 0 H ASN A 23 -2.438 -11.412 2.021 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.305 -12.042 3.986 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.033 -13.086 3.657 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.302 -11.651 4.350 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -3.351 -14.262 6.842 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.571 -14.359 5.092 1.00 0.00 H new ATOM 389 N ASN A 24 -4.295 -10.308 5.881 1.00 0.00 N ATOM 390 CA ASN A 24 -4.530 -9.180 6.801 1.00 0.00 C ATOM 391 C ASN A 24 -3.221 -8.538 7.270 1.00 0.00 C ATOM 392 O ASN A 24 -3.095 -7.308 7.308 1.00 0.00 O ATOM 393 CB ASN A 24 -5.308 -9.680 8.025 1.00 0.00 C ATOM 394 CG ASN A 24 -5.738 -8.504 8.902 1.00 0.00 C ATOM 395 OD1 ASN A 24 -5.146 -8.263 9.954 1.00 0.00 O ATOM 396 ND2 ASN A 24 -6.738 -7.754 8.529 1.00 0.00 N ATOM 0 H ASN A 24 -4.759 -11.174 6.156 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.100 -8.424 6.261 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.185 -10.240 7.702 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.688 -10.365 8.603 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.030 -6.967 9.109 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.228 -7.954 7.657 1.00 0.00 H new ATOM 403 N GLN A 25 -2.258 -9.386 7.620 1.00 0.00 N ATOM 404 CA GLN A 25 -0.955 -8.915 8.089 1.00 0.00 C ATOM 405 C GLN A 25 -0.201 -8.182 6.980 1.00 0.00 C ATOM 406 O GLN A 25 0.419 -7.147 7.228 1.00 0.00 O ATOM 407 CB GLN A 25 -0.115 -10.101 8.588 1.00 0.00 C ATOM 408 CG GLN A 25 -0.765 -10.708 9.843 1.00 0.00 C ATOM 409 CD GLN A 25 0.028 -11.922 10.336 1.00 0.00 C ATOM 410 OE1 GLN A 25 0.677 -12.615 9.550 1.00 0.00 O ATOM 411 NE2 GLN A 25 0.012 -12.224 11.605 1.00 0.00 N ATOM 0 H GLN A 25 -2.353 -10.401 7.588 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.125 -8.217 8.909 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.036 -10.857 7.807 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.898 -9.771 8.816 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.815 -9.957 10.631 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.790 -11.004 9.620 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.524 -11.653 12.258 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.535 -13.031 11.944 1.00 0.00 H new ATOM 420 N GLN A 26 -0.253 -8.733 5.765 1.00 0.00 N ATOM 421 CA GLN A 26 0.439 -8.133 4.620 1.00 0.00 C ATOM 422 C GLN A 26 -0.153 -6.768 4.266 1.00 0.00 C ATOM 423 O GLN A 26 0.587 -5.797 4.079 1.00 0.00 O ATOM 424 CB GLN A 26 0.341 -9.066 3.405 1.00 0.00 C ATOM 425 CG GLN A 26 1.104 -10.373 3.683 1.00 0.00 C ATOM 426 CD GLN A 26 0.932 -11.349 2.519 1.00 0.00 C ATOM 427 OE1 GLN A 26 -0.266 -11.620 2.075 1.00 0.00 O flip ATOM 428 NE2 GLN A 26 1.915 -11.878 2.001 1.00 0.00 N flip ATOM 0 H GLN A 26 -0.764 -9.589 5.548 1.00 0.00 H new ATOM 0 HA GLN A 26 1.484 -7.992 4.894 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.704 -9.285 3.187 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.754 -8.574 2.524 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.162 -10.159 3.833 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.737 -10.827 4.604 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.850 -11.666 2.348 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.794 -12.528 1.225 1.00 0.00 H new ATOM 437 N LYS A 27 -1.486 -6.705 4.170 1.00 0.00 N ATOM 438 CA LYS A 27 -2.168 -5.455 3.829 1.00 0.00 C ATOM 439 C LYS A 27 -1.888 -4.383 4.881 1.00 0.00 C ATOM 440 O LYS A 27 -1.512 -3.256 4.543 1.00 0.00 O ATOM 441 CB LYS A 27 -3.682 -5.698 3.718 1.00 0.00 C ATOM 442 CG LYS A 27 -4.380 -4.431 3.192 1.00 0.00 C ATOM 443 CD LYS A 27 -5.900 -4.655 3.136 1.00 0.00 C ATOM 444 CE LYS A 27 -6.246 -5.659 2.025 1.00 0.00 C ATOM 445 NZ LYS A 27 -7.584 -5.335 1.450 1.00 0.00 N ATOM 0 H LYS A 27 -2.108 -7.499 4.323 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.789 -5.105 2.869 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.876 -6.535 3.048 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.088 -5.969 4.693 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.152 -3.584 3.840 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.003 -4.183 2.200 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.256 -5.027 4.097 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.408 -3.708 2.952 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.487 -5.627 1.244 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.248 -6.673 2.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.734 -5.891 0.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.325 -5.566 2.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.628 -4.321 1.222 1.00 0.00 H new ATOM 459 N ARG A 28 -2.064 -4.750 6.152 1.00 0.00 N ATOM 460 CA ARG A 28 -1.822 -3.824 7.259 1.00 0.00 C ATOM 461 C ARG A 28 -0.356 -3.380 7.281 1.00 0.00 C ATOM 462 O ARG A 28 -0.052 -2.214 7.558 1.00 0.00 O ATOM 463 CB ARG A 28 -2.183 -4.505 8.590 1.00 0.00 C ATOM 464 CG ARG A 28 -2.081 -3.500 9.750 1.00 0.00 C ATOM 465 CD ARG A 28 -2.430 -4.198 11.071 1.00 0.00 C ATOM 466 NE ARG A 28 -2.461 -3.223 12.167 1.00 0.00 N ATOM 467 CZ ARG A 28 -2.741 -3.579 13.424 1.00 0.00 C ATOM 468 NH1 ARG A 28 -2.996 -4.823 13.726 1.00 0.00 N ATOM 469 NH2 ARG A 28 -2.761 -2.673 14.359 1.00 0.00 N ATOM 0 H ARG A 28 -2.372 -5.679 6.439 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.447 -2.942 7.121 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.194 -4.908 8.537 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.513 -5.346 8.769 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.073 -3.089 9.800 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.758 -2.663 9.580 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.399 -4.691 10.985 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.695 -4.974 11.286 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.263 -2.243 11.963 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.983 -5.537 12.998 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.208 -5.081 14.690 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.564 -1.699 14.130 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.974 -2.937 15.321 1.00 0.00 H new ATOM 483 N ALA A 29 0.545 -4.328 7.000 1.00 0.00 N ATOM 484 CA ALA A 29 1.983 -4.055 7.003 1.00 0.00 C ATOM 485 C ALA A 29 2.378 -3.025 5.939 1.00 0.00 C ATOM 486 O ALA A 29 3.174 -2.127 6.225 1.00 0.00 O ATOM 487 CB ALA A 29 2.762 -5.356 6.775 1.00 0.00 C ATOM 0 H ALA A 29 0.302 -5.291 6.768 1.00 0.00 H new ATOM 0 HA ALA A 29 2.233 -3.636 7.978 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.831 -5.145 6.778 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.529 -6.064 7.571 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.480 -5.785 5.814 1.00 0.00 H new ATOM 493 N PHE A 30 1.843 -3.161 4.715 1.00 0.00 N ATOM 494 CA PHE A 30 2.189 -2.223 3.638 1.00 0.00 C ATOM 495 C PHE A 30 1.804 -0.785 3.996 1.00 0.00 C ATOM 496 O PHE A 30 2.659 0.106 3.990 1.00 0.00 O ATOM 497 CB PHE A 30 1.504 -2.628 2.322 1.00 0.00 C ATOM 498 CG PHE A 30 2.280 -3.751 1.657 1.00 0.00 C ATOM 499 CD1 PHE A 30 3.614 -3.548 1.277 1.00 0.00 C ATOM 500 CD2 PHE A 30 1.669 -4.988 1.412 1.00 0.00 C ATOM 501 CE1 PHE A 30 4.334 -4.574 0.656 1.00 0.00 C ATOM 502 CE2 PHE A 30 2.390 -6.015 0.792 1.00 0.00 C ATOM 503 CZ PHE A 30 3.724 -5.808 0.414 1.00 0.00 C ATOM 0 H PHE A 30 1.184 -3.894 4.451 1.00 0.00 H new ATOM 0 HA PHE A 30 3.270 -2.267 3.509 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.481 -2.949 2.519 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.446 -1.769 1.653 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.088 -2.596 1.464 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.641 -5.149 1.702 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.361 -4.413 0.364 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.918 -6.968 0.605 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.280 -6.601 -0.064 1.00 0.00 H new ATOM 513 N ILE A 31 0.520 -0.565 4.300 1.00 0.00 N ATOM 514 CA ILE A 31 0.035 0.775 4.651 1.00 0.00 C ATOM 515 C ILE A 31 0.798 1.337 5.864 1.00 0.00 C ATOM 516 O ILE A 31 1.194 2.506 5.857 1.00 0.00 O ATOM 517 CB ILE A 31 -1.489 0.747 4.926 1.00 0.00 C ATOM 518 CG1 ILE A 31 -2.239 0.346 3.625 1.00 0.00 C ATOM 519 CG2 ILE A 31 -1.962 2.139 5.397 1.00 0.00 C ATOM 520 CD1 ILE A 31 -3.764 0.308 3.848 1.00 0.00 C ATOM 0 H ILE A 31 -0.197 -1.291 4.310 1.00 0.00 H new ATOM 0 HA ILE A 31 0.219 1.435 3.804 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.704 0.018 5.707 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.003 1.056 2.833 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.894 -0.632 3.290 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.035 2.113 5.589 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.436 2.412 6.312 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.750 2.877 4.623 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.260 0.024 2.920 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.000 -0.421 4.623 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.111 1.294 4.159 1.00 0.00 H new ATOM 532 N ARG A 32 1.002 0.504 6.894 1.00 0.00 N ATOM 533 CA ARG A 32 1.725 0.946 8.095 1.00 0.00 C ATOM 534 C ARG A 32 3.165 1.340 7.744 1.00 0.00 C ATOM 535 O ARG A 32 3.631 2.432 8.103 1.00 0.00 O ATOM 536 CB ARG A 32 1.732 -0.178 9.144 1.00 0.00 C ATOM 537 CG ARG A 32 2.352 0.326 10.459 1.00 0.00 C ATOM 538 CD ARG A 32 2.367 -0.807 11.495 1.00 0.00 C ATOM 539 NE ARG A 32 2.802 -0.300 12.801 1.00 0.00 N ATOM 540 CZ ARG A 32 4.083 -0.036 13.072 1.00 0.00 C ATOM 541 NH1 ARG A 32 5.010 -0.218 12.171 1.00 0.00 N ATOM 542 NH2 ARG A 32 4.412 0.409 14.251 1.00 0.00 N ATOM 0 H ARG A 32 0.683 -0.464 6.921 1.00 0.00 H new ATOM 0 HA ARG A 32 1.216 1.819 8.505 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.714 -0.525 9.323 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.298 -1.031 8.770 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.367 0.681 10.280 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.780 1.172 10.840 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.372 -1.244 11.580 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.036 -1.601 11.165 1.00 0.00 H new ATOM 0 HE ARG A 32 2.103 -0.144 13.527 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.760 -0.566 11.245 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.984 -0.012 12.393 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.693 0.554 14.960 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.388 0.613 14.465 1.00 0.00 H new ATOM 556 N SER A 33 3.855 0.447 7.021 1.00 0.00 N ATOM 557 CA SER A 33 5.241 0.691 6.599 1.00 0.00 C ATOM 558 C SER A 33 5.331 1.968 5.767 1.00 0.00 C ATOM 559 O SER A 33 6.361 2.648 5.766 1.00 0.00 O ATOM 560 CB SER A 33 5.757 -0.490 5.775 1.00 0.00 C ATOM 561 OG SER A 33 7.153 -0.332 5.537 1.00 0.00 O ATOM 0 H SER A 33 3.476 -0.450 6.717 1.00 0.00 H new ATOM 0 HA SER A 33 5.855 0.805 7.492 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.571 -1.425 6.304 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.220 -0.548 4.828 1.00 0.00 H new ATOM 0 HG SER A 33 7.483 -1.090 5.010 1.00 0.00 H new ATOM 567 N LEU A 34 4.236 2.286 5.066 1.00 0.00 N ATOM 568 CA LEU A 34 4.169 3.490 4.231 1.00 0.00 C ATOM 569 C LEU A 34 4.395 4.737 5.092 1.00 0.00 C ATOM 570 O LEU A 34 5.181 5.622 4.731 1.00 0.00 O ATOM 571 CB LEU A 34 2.783 3.563 3.554 1.00 0.00 C ATOM 572 CG LEU A 34 2.910 3.911 2.057 1.00 0.00 C ATOM 573 CD1 LEU A 34 2.131 2.881 1.223 1.00 0.00 C ATOM 574 CD2 LEU A 34 2.337 5.316 1.810 1.00 0.00 C ATOM 0 H LEU A 34 3.384 1.725 5.061 1.00 0.00 H new ATOM 0 HA LEU A 34 4.945 3.446 3.467 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.270 2.608 3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.171 4.314 4.054 1.00 0.00 H new ATOM 0 HG LEU A 34 3.960 3.891 1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.221 3.127 0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.539 1.886 1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.080 2.899 1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.426 5.564 0.752 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.287 5.337 2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.892 6.044 2.401 1.00 0.00 H new ATOM 586 N TYR A 35 3.719 4.775 6.246 1.00 0.00 N ATOM 587 CA TYR A 35 3.861 5.891 7.178 1.00 0.00 C ATOM 588 C TYR A 35 5.295 5.934 7.702 1.00 0.00 C ATOM 589 O TYR A 35 5.877 7.012 7.862 1.00 0.00 O ATOM 590 CB TYR A 35 2.875 5.734 8.347 1.00 0.00 C ATOM 591 CG TYR A 35 2.934 6.960 9.242 1.00 0.00 C ATOM 592 CD1 TYR A 35 2.180 8.100 8.924 1.00 0.00 C ATOM 593 CD2 TYR A 35 3.745 6.958 10.387 1.00 0.00 C ATOM 594 CE1 TYR A 35 2.236 9.230 9.749 1.00 0.00 C ATOM 595 CE2 TYR A 35 3.801 8.090 11.210 1.00 0.00 C ATOM 596 CZ TYR A 35 3.046 9.225 10.891 1.00 0.00 C ATOM 597 OH TYR A 35 3.102 10.340 11.703 1.00 0.00 O ATOM 0 H TYR A 35 3.072 4.048 6.553 1.00 0.00 H new ATOM 0 HA TYR A 35 3.638 6.824 6.660 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.863 5.600 7.965 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.119 4.841 8.922 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.556 8.106 8.042 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.327 6.082 10.634 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.654 10.106 9.504 1.00 0.00 H new ATOM 0 HE2 TYR A 35 4.426 8.087 12.090 1.00 0.00 H new ATOM 0 HH TYR A 35 3.710 10.169 12.452 1.00 0.00 H new ATOM 607 N ASP A 36 5.849 4.746 7.969 1.00 0.00 N ATOM 608 CA ASP A 36 7.216 4.627 8.479 1.00 0.00 C ATOM 609 C ASP A 36 8.226 5.236 7.501 1.00 0.00 C ATOM 610 O ASP A 36 9.220 5.831 7.922 1.00 0.00 O ATOM 611 CB ASP A 36 7.562 3.151 8.722 1.00 0.00 C ATOM 612 CG ASP A 36 8.876 3.041 9.499 1.00 0.00 C ATOM 613 OD1 ASP A 36 8.834 3.139 10.715 1.00 0.00 O ATOM 614 OD2 ASP A 36 9.906 2.863 8.865 1.00 0.00 O ATOM 0 H ASP A 36 5.370 3.855 7.840 1.00 0.00 H new ATOM 0 HA ASP A 36 7.272 5.175 9.420 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.759 2.668 9.279 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.649 2.628 7.770 1.00 0.00 H new ATOM 619 N ASP A 37 7.963 5.077 6.195 1.00 0.00 N ATOM 620 CA ASP A 37 8.857 5.612 5.162 1.00 0.00 C ATOM 621 C ASP A 37 8.095 5.836 3.840 1.00 0.00 C ATOM 622 O ASP A 37 7.992 4.921 3.013 1.00 0.00 O ATOM 623 CB ASP A 37 10.044 4.643 4.939 1.00 0.00 C ATOM 624 CG ASP A 37 11.365 5.326 5.305 1.00 0.00 C ATOM 625 OD1 ASP A 37 11.892 6.041 4.465 1.00 0.00 O ATOM 626 OD2 ASP A 37 11.828 5.127 6.417 1.00 0.00 O ATOM 0 H ASP A 37 7.145 4.586 5.833 1.00 0.00 H new ATOM 0 HA ASP A 37 9.241 6.575 5.500 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.910 3.747 5.546 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.069 4.322 3.898 1.00 0.00 H new ATOM 631 N PRO A 38 7.569 7.031 3.615 1.00 0.00 N ATOM 632 CA PRO A 38 6.827 7.357 2.354 1.00 0.00 C ATOM 633 C PRO A 38 7.708 7.184 1.111 1.00 0.00 C ATOM 634 O PRO A 38 7.208 7.081 -0.010 1.00 0.00 O ATOM 635 CB PRO A 38 6.409 8.827 2.526 1.00 0.00 C ATOM 636 CG PRO A 38 6.529 9.117 3.985 1.00 0.00 C ATOM 637 CD PRO A 38 7.620 8.196 4.521 1.00 0.00 C ATOM 0 HA PRO A 38 5.978 6.691 2.202 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.051 9.487 1.942 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.388 8.986 2.179 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.787 10.163 4.153 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.583 8.936 4.496 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.597 8.678 4.499 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.429 7.908 5.555 1.00 0.00 H new ATOM 645 N SER A 39 9.024 7.167 1.330 1.00 0.00 N ATOM 646 CA SER A 39 9.989 7.021 0.241 1.00 0.00 C ATOM 647 C SER A 39 9.784 5.712 -0.530 1.00 0.00 C ATOM 648 O SER A 39 10.168 5.620 -1.699 1.00 0.00 O ATOM 649 CB SER A 39 11.416 7.069 0.804 1.00 0.00 C ATOM 650 OG SER A 39 11.647 5.926 1.623 1.00 0.00 O ATOM 0 H SER A 39 9.446 7.253 2.255 1.00 0.00 H new ATOM 0 HA SER A 39 9.834 7.846 -0.454 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.139 7.096 -0.012 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.558 7.980 1.386 1.00 0.00 H new ATOM 0 HG SER A 39 11.665 6.197 2.565 1.00 0.00 H new ATOM 656 N GLN A 40 9.199 4.701 0.131 1.00 0.00 N ATOM 657 CA GLN A 40 8.975 3.398 -0.503 1.00 0.00 C ATOM 658 C GLN A 40 7.518 3.214 -0.941 1.00 0.00 C ATOM 659 O GLN A 40 7.175 2.158 -1.464 1.00 0.00 O ATOM 660 CB GLN A 40 9.351 2.267 0.478 1.00 0.00 C ATOM 661 CG GLN A 40 10.733 2.518 1.103 1.00 0.00 C ATOM 662 CD GLN A 40 11.802 2.649 0.018 1.00 0.00 C ATOM 663 OE1 GLN A 40 12.017 1.720 -0.760 1.00 0.00 O ATOM 664 NE2 GLN A 40 12.483 3.759 -0.084 1.00 0.00 N ATOM 0 H GLN A 40 8.876 4.762 1.096 1.00 0.00 H new ATOM 0 HA GLN A 40 9.605 3.357 -1.392 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.599 2.198 1.264 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.353 1.311 -0.046 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.706 3.426 1.705 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.988 1.698 1.775 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.304 4.528 0.561 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.194 3.856 -0.809 1.00 0.00 H new ATOM 673 N SER A 41 6.663 4.227 -0.720 1.00 0.00 N ATOM 674 CA SER A 41 5.234 4.124 -1.084 1.00 0.00 C ATOM 675 C SER A 41 5.043 3.550 -2.492 1.00 0.00 C ATOM 676 O SER A 41 4.147 2.730 -2.718 1.00 0.00 O ATOM 677 CB SER A 41 4.560 5.497 -1.001 1.00 0.00 C ATOM 678 OG SER A 41 4.791 6.062 0.281 1.00 0.00 O ATOM 0 H SER A 41 6.929 5.116 -0.297 1.00 0.00 H new ATOM 0 HA SER A 41 4.770 3.442 -0.371 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.954 6.155 -1.776 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.489 5.399 -1.179 1.00 0.00 H new ATOM 0 HG SER A 41 5.025 7.009 0.184 1.00 0.00 H new ATOM 684 N ALA A 42 5.902 3.963 -3.424 1.00 0.00 N ATOM 685 CA ALA A 42 5.827 3.461 -4.793 1.00 0.00 C ATOM 686 C ALA A 42 6.132 1.962 -4.819 1.00 0.00 C ATOM 687 O ALA A 42 5.422 1.185 -5.466 1.00 0.00 O ATOM 688 CB ALA A 42 6.827 4.210 -5.681 1.00 0.00 C ATOM 0 H ALA A 42 6.650 4.637 -3.258 1.00 0.00 H new ATOM 0 HA ALA A 42 4.819 3.625 -5.174 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.765 3.829 -6.700 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.592 5.274 -5.676 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.837 4.060 -5.299 1.00 0.00 H new ATOM 694 N ASN A 43 7.194 1.570 -4.105 1.00 0.00 N ATOM 695 CA ASN A 43 7.602 0.166 -4.039 1.00 0.00 C ATOM 696 C ASN A 43 6.569 -0.677 -3.294 1.00 0.00 C ATOM 697 O ASN A 43 6.185 -1.740 -3.766 1.00 0.00 O ATOM 698 CB ASN A 43 8.954 0.032 -3.318 1.00 0.00 C ATOM 699 CG ASN A 43 10.062 0.777 -4.062 1.00 0.00 C ATOM 700 OD1 ASN A 43 9.923 1.113 -5.237 1.00 0.00 O ATOM 701 ND2 ASN A 43 11.171 1.043 -3.434 1.00 0.00 N ATOM 0 H ASN A 43 7.784 2.205 -3.567 1.00 0.00 H new ATOM 0 HA ASN A 43 7.688 -0.194 -5.064 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.868 0.424 -2.305 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.218 -1.022 -3.231 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.926 1.531 -3.916 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.285 0.764 -2.460 1.00 0.00 H new ATOM 708 N LEU A 44 6.137 -0.196 -2.121 1.00 0.00 N ATOM 709 CA LEU A 44 5.159 -0.921 -1.301 1.00 0.00 C ATOM 710 C LEU A 44 3.870 -1.181 -2.084 1.00 0.00 C ATOM 711 O LEU A 44 3.321 -2.283 -2.029 1.00 0.00 O ATOM 712 CB LEU A 44 4.813 -0.119 -0.043 1.00 0.00 C ATOM 713 CG LEU A 44 6.068 0.199 0.814 1.00 0.00 C ATOM 714 CD1 LEU A 44 5.637 0.915 2.098 1.00 0.00 C ATOM 715 CD2 LEU A 44 6.826 -1.083 1.188 1.00 0.00 C ATOM 0 H LEU A 44 6.448 0.689 -1.720 1.00 0.00 H new ATOM 0 HA LEU A 44 5.610 -1.873 -1.022 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.326 0.813 -0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.097 -0.680 0.558 1.00 0.00 H new ATOM 0 HG LEU A 44 6.730 0.835 0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.516 1.140 2.702 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.125 1.843 1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.963 0.272 2.664 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.699 -0.827 1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.171 -1.739 1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.146 -1.594 0.280 1.00 0.00 H new ATOM 727 N LEU A 45 3.401 -0.164 -2.824 1.00 0.00 N ATOM 728 CA LEU A 45 2.180 -0.294 -3.639 1.00 0.00 C ATOM 729 C LEU A 45 2.365 -1.406 -4.669 1.00 0.00 C ATOM 730 O LEU A 45 1.539 -2.317 -4.784 1.00 0.00 O ATOM 731 CB LEU A 45 1.894 1.051 -4.338 1.00 0.00 C ATOM 732 CG LEU A 45 0.908 0.889 -5.522 1.00 0.00 C ATOM 733 CD1 LEU A 45 -0.431 0.304 -5.045 1.00 0.00 C ATOM 734 CD2 LEU A 45 0.658 2.261 -6.168 1.00 0.00 C ATOM 0 H LEU A 45 3.845 0.753 -2.876 1.00 0.00 H new ATOM 0 HA LEU A 45 1.333 -0.551 -3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.481 1.755 -3.615 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.829 1.478 -4.700 1.00 0.00 H new ATOM 0 HG LEU A 45 1.349 0.205 -6.247 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.106 0.200 -5.895 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.261 -0.674 -4.595 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.877 0.971 -4.307 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.036 2.150 -7.002 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.231 2.939 -5.429 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.601 2.669 -6.533 1.00 0.00 H new ATOM 746 N ALA A 46 3.474 -1.316 -5.392 1.00 0.00 N ATOM 747 CA ALA A 46 3.813 -2.317 -6.410 1.00 0.00 C ATOM 748 C ALA A 46 3.968 -3.697 -5.759 1.00 0.00 C ATOM 749 O ALA A 46 3.508 -4.708 -6.297 1.00 0.00 O ATOM 750 CB ALA A 46 5.120 -1.929 -7.109 1.00 0.00 C ATOM 0 H ALA A 46 4.156 -0.564 -5.297 1.00 0.00 H new ATOM 0 HA ALA A 46 3.010 -2.357 -7.146 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.365 -2.677 -7.863 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.002 -0.957 -7.587 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.924 -1.877 -6.375 1.00 0.00 H new ATOM 756 N GLU A 47 4.611 -3.708 -4.590 1.00 0.00 N ATOM 757 CA GLU A 47 4.834 -4.937 -3.830 1.00 0.00 C ATOM 758 C GLU A 47 3.505 -5.547 -3.383 1.00 0.00 C ATOM 759 O GLU A 47 3.340 -6.771 -3.388 1.00 0.00 O ATOM 760 CB GLU A 47 5.699 -4.623 -2.599 1.00 0.00 C ATOM 761 CG GLU A 47 7.178 -4.479 -3.008 1.00 0.00 C ATOM 762 CD GLU A 47 7.765 -5.838 -3.415 1.00 0.00 C ATOM 763 OE1 GLU A 47 7.795 -6.729 -2.578 1.00 0.00 O ATOM 764 OE2 GLU A 47 8.176 -5.970 -4.558 1.00 0.00 O ATOM 0 H GLU A 47 4.989 -2.871 -4.147 1.00 0.00 H new ATOM 0 HA GLU A 47 5.345 -5.657 -4.469 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.353 -3.703 -2.128 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.594 -5.418 -1.860 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.264 -3.777 -3.838 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.751 -4.064 -2.179 1.00 0.00 H new ATOM 771 N ALA A 48 2.561 -4.684 -3.005 1.00 0.00 N ATOM 772 CA ALA A 48 1.248 -5.144 -2.565 1.00 0.00 C ATOM 773 C ALA A 48 0.540 -5.847 -3.716 1.00 0.00 C ATOM 774 O ALA A 48 -0.038 -6.924 -3.540 1.00 0.00 O ATOM 775 CB ALA A 48 0.410 -3.955 -2.086 1.00 0.00 C ATOM 0 H ALA A 48 2.682 -3.671 -2.995 1.00 0.00 H new ATOM 0 HA ALA A 48 1.373 -5.844 -1.738 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.568 -4.307 -1.759 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.916 -3.465 -1.254 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.286 -3.245 -2.903 1.00 0.00 H new ATOM 781 N LYS A 49 0.608 -5.232 -4.896 1.00 0.00 N ATOM 782 CA LYS A 49 -0.009 -5.798 -6.090 1.00 0.00 C ATOM 783 C LYS A 49 0.654 -7.133 -6.441 1.00 0.00 C ATOM 784 O LYS A 49 0.001 -8.042 -6.955 1.00 0.00 O ATOM 785 CB LYS A 49 0.120 -4.815 -7.260 1.00 0.00 C ATOM 786 CG LYS A 49 -0.929 -5.149 -8.333 1.00 0.00 C ATOM 787 CD LYS A 49 -0.797 -4.171 -9.510 1.00 0.00 C ATOM 788 CE LYS A 49 -2.182 -3.837 -10.079 1.00 0.00 C ATOM 789 NZ LYS A 49 -2.030 -3.238 -11.437 1.00 0.00 N ATOM 0 H LYS A 49 1.084 -4.343 -5.048 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.067 -5.975 -5.895 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.019 -3.793 -6.907 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.122 -4.871 -7.686 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.793 -6.173 -8.682 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.931 -5.088 -7.907 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.302 -3.258 -9.180 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.172 -4.609 -10.288 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.792 -4.739 -10.134 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.700 -3.141 -9.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.969 -3.011 -11.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.463 -2.368 -11.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.552 -3.916 -12.064 1.00 0.00 H new ATOM 803 N LYS A 50 1.961 -7.236 -6.154 1.00 0.00 N ATOM 804 CA LYS A 50 2.717 -8.459 -6.430 1.00 0.00 C ATOM 805 C LYS A 50 2.114 -9.632 -5.654 1.00 0.00 C ATOM 806 O LYS A 50 1.869 -10.702 -6.219 1.00 0.00 O ATOM 807 CB LYS A 50 4.179 -8.255 -6.014 1.00 0.00 C ATOM 808 CG LYS A 50 5.048 -9.406 -6.544 1.00 0.00 C ATOM 809 CD LYS A 50 6.529 -9.110 -6.258 1.00 0.00 C ATOM 810 CE LYS A 50 6.854 -9.389 -4.783 1.00 0.00 C ATOM 811 NZ LYS A 50 8.194 -8.824 -4.455 1.00 0.00 N ATOM 0 H LYS A 50 2.511 -6.488 -5.732 1.00 0.00 H new ATOM 0 HA LYS A 50 2.670 -8.682 -7.496 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.546 -7.305 -6.402 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.252 -8.205 -4.928 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.756 -10.343 -6.070 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.892 -9.529 -7.616 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.160 -9.725 -6.899 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.751 -8.070 -6.496 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.093 -8.945 -4.141 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.844 -10.462 -4.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.126 -8.248 -3.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.870 -9.600 -4.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.523 -8.230 -5.243 1.00 0.00 H new ATOM 825 N LEU A 51 1.857 -9.406 -4.362 1.00 0.00 N ATOM 826 CA LEU A 51 1.258 -10.437 -3.513 1.00 0.00 C ATOM 827 C LEU A 51 -0.147 -10.774 -4.012 1.00 0.00 C ATOM 828 O LEU A 51 -0.556 -11.936 -3.988 1.00 0.00 O ATOM 829 CB LEU A 51 1.219 -9.964 -2.044 1.00 0.00 C ATOM 830 CG LEU A 51 2.508 -10.410 -1.323 1.00 0.00 C ATOM 831 CD1 LEU A 51 2.713 -9.575 -0.053 1.00 0.00 C ATOM 832 CD2 LEU A 51 2.407 -11.899 -0.948 1.00 0.00 C ATOM 0 H LEU A 51 2.053 -8.526 -3.885 1.00 0.00 H new ATOM 0 HA LEU A 51 1.869 -11.339 -3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.124 -8.879 -2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.346 -10.380 -1.540 1.00 0.00 H new ATOM 0 HG LEU A 51 3.356 -10.262 -1.991 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.625 -9.896 0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.797 -8.522 -0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.862 -9.713 0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.320 -12.209 -0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.554 -12.051 -0.287 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.276 -12.494 -1.852 1.00 0.00 H new ATOM 844 N ASN A 52 -0.869 -9.750 -4.480 1.00 0.00 N ATOM 845 CA ASN A 52 -2.221 -9.942 -5.009 1.00 0.00 C ATOM 846 C ASN A 52 -2.177 -10.849 -6.239 1.00 0.00 C ATOM 847 O ASN A 52 -2.945 -11.809 -6.346 1.00 0.00 O ATOM 848 CB ASN A 52 -2.826 -8.574 -5.376 1.00 0.00 C ATOM 849 CG ASN A 52 -4.080 -8.727 -6.244 1.00 0.00 C ATOM 850 OD1 ASN A 52 -5.234 -8.932 -5.681 1.00 0.00 O flip ATOM 851 ND2 ASN A 52 -4.000 -8.656 -7.470 1.00 0.00 N flip ATOM 0 H ASN A 52 -0.540 -8.785 -4.503 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.843 -10.416 -4.250 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.077 -8.030 -4.465 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.084 -7.978 -5.909 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.096 -8.495 -7.914 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.838 -8.758 -8.043 1.00 0.00 H new ATOM 858 N ASP A 53 -1.270 -10.526 -7.158 1.00 0.00 N ATOM 859 CA ASP A 53 -1.115 -11.300 -8.388 1.00 0.00 C ATOM 860 C ASP A 53 -0.694 -12.735 -8.084 1.00 0.00 C ATOM 861 O ASP A 53 -1.130 -13.672 -8.759 1.00 0.00 O ATOM 862 CB ASP A 53 -0.063 -10.634 -9.284 1.00 0.00 C ATOM 863 CG ASP A 53 0.014 -11.340 -10.642 1.00 0.00 C ATOM 864 OD1 ASP A 53 -0.792 -11.019 -11.503 1.00 0.00 O ATOM 865 OD2 ASP A 53 0.873 -12.192 -10.802 1.00 0.00 O ATOM 0 H ASP A 53 -0.632 -9.735 -7.075 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.076 -11.326 -8.901 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.313 -9.583 -9.428 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.911 -10.666 -8.796 1.00 0.00 H new ATOM 870 N ALA A 54 0.182 -12.894 -7.090 1.00 0.00 N ATOM 871 CA ALA A 54 0.691 -14.215 -6.731 1.00 0.00 C ATOM 872 C ALA A 54 -0.355 -15.062 -5.990 1.00 0.00 C ATOM 873 O ALA A 54 -0.603 -16.212 -6.365 1.00 0.00 O ATOM 874 CB ALA A 54 1.941 -14.064 -5.859 1.00 0.00 C ATOM 0 H ALA A 54 0.550 -12.129 -6.524 1.00 0.00 H new ATOM 0 HA ALA A 54 0.936 -14.734 -7.657 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.320 -15.051 -5.592 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.706 -13.519 -6.411 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.688 -13.515 -4.952 1.00 0.00 H new ATOM 880 N GLN A 55 -0.946 -14.494 -4.933 1.00 0.00 N ATOM 881 CA GLN A 55 -1.949 -15.209 -4.129 1.00 0.00 C ATOM 882 C GLN A 55 -3.227 -15.484 -4.925 1.00 0.00 C ATOM 883 O GLN A 55 -3.947 -16.442 -4.630 1.00 0.00 O ATOM 884 CB GLN A 55 -2.292 -14.407 -2.861 1.00 0.00 C ATOM 885 CG GLN A 55 -1.062 -14.313 -1.948 1.00 0.00 C ATOM 886 CD GLN A 55 -1.310 -13.260 -0.876 1.00 0.00 C ATOM 887 OE1 GLN A 55 -1.607 -12.045 -1.242 1.00 0.00 O flip ATOM 888 NE2 GLN A 55 -1.237 -13.551 0.318 1.00 0.00 N flip ATOM 0 H GLN A 55 -0.750 -13.545 -4.614 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.513 -16.168 -3.848 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.629 -13.407 -3.134 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.114 -14.887 -2.329 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.864 -15.280 -1.485 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.180 -14.052 -2.533 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.004 -14.504 0.597 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.409 -12.839 1.028 1.00 0.00 H new ATOM 897 N ALA A 56 -3.512 -14.630 -5.914 1.00 0.00 N ATOM 898 CA ALA A 56 -4.719 -14.773 -6.736 1.00 0.00 C ATOM 899 C ALA A 56 -4.799 -16.165 -7.387 1.00 0.00 C ATOM 900 O ALA A 56 -3.770 -16.743 -7.750 1.00 0.00 O ATOM 901 CB ALA A 56 -4.735 -13.695 -7.824 1.00 0.00 C ATOM 0 H ALA A 56 -2.925 -13.834 -6.164 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.584 -14.655 -6.084 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.633 -13.805 -8.432 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.730 -12.709 -7.359 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.853 -13.803 -8.456 1.00 0.00 H new ATOM 907 N PRO A 57 -5.999 -16.708 -7.540 1.00 0.00 N ATOM 908 CA PRO A 57 -6.214 -18.058 -8.156 1.00 0.00 C ATOM 909 C PRO A 57 -6.048 -18.040 -9.680 1.00 0.00 C ATOM 910 O PRO A 57 -6.233 -17.003 -10.323 1.00 0.00 O ATOM 911 CB PRO A 57 -7.654 -18.405 -7.765 1.00 0.00 C ATOM 912 CG PRO A 57 -8.344 -17.090 -7.615 1.00 0.00 C ATOM 913 CD PRO A 57 -7.284 -16.094 -7.141 1.00 0.00 C ATOM 0 HA PRO A 57 -5.482 -18.787 -7.807 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -8.133 -19.017 -8.529 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.684 -18.974 -6.836 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.780 -16.771 -8.561 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -9.160 -17.160 -6.895 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.420 -15.118 -7.606 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.334 -15.943 -6.063 1.00 0.00 H new ATOM 921 N LYS A 58 -5.702 -19.203 -10.240 1.00 0.00 N ATOM 922 CA LYS A 58 -5.511 -19.340 -11.689 1.00 0.00 C ATOM 923 C LYS A 58 -6.865 -19.475 -12.396 1.00 0.00 C ATOM 924 O LYS A 58 -7.120 -18.698 -13.305 1.00 0.00 O ATOM 925 CB LYS A 58 -4.645 -20.577 -11.995 1.00 0.00 C ATOM 926 CG LYS A 58 -3.299 -20.495 -11.250 1.00 0.00 C ATOM 927 CD LYS A 58 -2.457 -19.328 -11.796 1.00 0.00 C ATOM 928 CE LYS A 58 -1.078 -19.313 -11.122 1.00 0.00 C ATOM 929 NZ LYS A 58 -0.334 -20.561 -11.465 1.00 0.00 N ATOM 930 OXT LYS A 58 -7.627 -20.353 -12.021 1.00 0.00 O ATOM 0 H LYS A 58 -5.548 -20.063 -9.713 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.006 -18.447 -12.056 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.176 -21.482 -11.699 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.469 -20.648 -13.068 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.474 -20.358 -10.183 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.754 -21.432 -11.366 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.342 -19.426 -12.875 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.970 -18.383 -11.615 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.513 -18.440 -11.449 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.192 -19.232 -10.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.683 -20.413 -11.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.667 -21.341 -10.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.499 -20.800 -12.464 1.00 0.00 H new TER 944 LYS A 58