USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 503 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 38 LYS NZ :NH3+ -161:sc= -0.0274 (180deg=-0.384) USER MOD Set 1.2: A 39 TYR OH : rot 180:sc= -0.102 USER MOD Single : A 4 ASN : amide:sc= -3.67! C(o=-3.7!,f=-7.1!) USER MOD Single : A 5 ASN : amide:sc= -0.421 K(o=-0.42,f=-5.7!) USER MOD Single : A 7 LYS NZ :NH3+ -157:sc= 0.778 (180deg=0.442!) USER MOD Single : A 12 LYS NZ :NH3+ -143:sc= -0.0219 (180deg=-0.451) USER MOD Single : A 13 LYS NZ :NH3+ -115:sc= -0.404 (180deg=-2.34!) USER MOD Single : A 14 LYS NZ :NH3+ -156:sc= -0.56 (180deg=-2.37!) USER MOD Single : A 16 SER OG : rot 96:sc= 1.21 USER MOD Single : A 17 GLN : amide:sc= -4.42! C(o=-4.4!,f=-4!) USER MOD Single : A 18 SER OG : rot 114:sc= -2.21! USER MOD Single : A 27 SER OG : rot 180:sc= 0.0404 USER MOD Single : A 29 GLN : amide:sc=-0.00777 K(o=-0.0078,f=-1.5!) USER MOD Single : A 30 THR OG1 : rot 66:sc= 0.355 USER MOD Single : A 32 ASN :FLIP amide:sc= -1.2 F(o=-2!,f=-1.2) USER MOD Single : A 36 LYS NZ :NH3+ -144:sc= -0.223 (180deg=-1.24!) USER MOD Single : A 37 ASN : amide:sc= -0.374 K(o=-0.37,f=-1.1!) USER MOD Single : A 40 ASN : amide:sc= -0.118 K(o=-0.12,f=-0.79) USER MOD Single : A 42 SER OG : rot 180:sc= -0.131 USER MOD Single : A 44 GLN : amide:sc= -0.447 X(o=-0.45,f=-0.36) USER MOD Single : A 48 LYS NZ :NH3+ -162:sc= -0.0691 (180deg=-0.5) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.416 K(o=0.42,f=-1.6) USER MOD Single : A 55 THR OG1 : rot -2:sc= -0.272 USER MOD ----------------------------------------------------------------- ATOM 56 N ASN A 4 -0.555 -1.970 -5.960 1.00 0.00 N ATOM 57 CA ASN A 4 -1.222 -2.729 -4.896 1.00 0.00 C ATOM 58 C ASN A 4 -0.996 -4.210 -5.102 1.00 0.00 C ATOM 59 O ASN A 4 -1.898 -5.020 -4.886 1.00 0.00 O ATOM 60 CB ASN A 4 -2.739 -2.454 -4.862 1.00 0.00 C ATOM 61 CG ASN A 4 -3.047 -1.077 -4.290 1.00 0.00 C ATOM 62 OD1 ASN A 4 -2.243 -0.516 -3.560 1.00 0.00 O ATOM 63 ND2 ASN A 4 -4.179 -0.514 -4.557 1.00 0.00 N ATOM 0 HA ASN A 4 -0.793 -2.408 -3.947 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -3.145 -2.529 -5.871 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -3.234 -3.217 -4.261 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -4.401 0.398 -4.159 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -4.850 -0.982 -5.166 1.00 0.00 H new ATOM 70 N ASN A 5 0.177 -4.568 -5.578 1.00 0.00 N ATOM 71 CA ASN A 5 0.459 -5.958 -5.910 1.00 0.00 C ATOM 72 C ASN A 5 0.624 -6.840 -4.672 1.00 0.00 C ATOM 73 O ASN A 5 1.154 -7.949 -4.757 1.00 0.00 O ATOM 74 CB ASN A 5 1.648 -6.087 -6.860 1.00 0.00 C ATOM 75 CG ASN A 5 2.811 -5.232 -6.376 1.00 0.00 C ATOM 76 OD1 ASN A 5 2.620 -4.072 -6.003 1.00 0.00 O ATOM 77 ND2 ASN A 5 4.005 -5.727 -6.362 1.00 0.00 N ATOM 0 H ASN A 5 0.950 -3.924 -5.745 1.00 0.00 H new ATOM 0 HA ASN A 5 -0.420 -6.330 -6.437 1.00 0.00 H new ATOM 0 HB2 ASN A 5 1.958 -7.130 -6.925 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.355 -5.778 -7.863 1.00 0.00 H new ATOM 0 HD21 ASN A 5 4.789 -5.158 -6.042 1.00 0.00 H new ATOM 0 HD22 ASN A 5 4.163 -6.686 -6.670 1.00 0.00 H new ATOM 84 N LEU A 6 -0.067 -6.462 -3.617 1.00 0.00 N ATOM 85 CA LEU A 6 -0.209 -7.307 -2.445 1.00 0.00 C ATOM 86 C LEU A 6 -0.882 -8.589 -2.906 1.00 0.00 C ATOM 87 O LEU A 6 -0.484 -9.694 -2.538 1.00 0.00 O ATOM 88 CB LEU A 6 -1.094 -6.568 -1.407 1.00 0.00 C ATOM 89 CG LEU A 6 -1.445 -7.454 -0.185 1.00 0.00 C ATOM 90 CD1 LEU A 6 -2.619 -8.381 -0.504 1.00 0.00 C ATOM 91 CD2 LEU A 6 -0.238 -8.274 0.275 1.00 0.00 C ATOM 0 H LEU A 6 -0.545 -5.564 -3.545 1.00 0.00 H new ATOM 0 HA LEU A 6 0.752 -7.532 -1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.575 -5.672 -1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.015 -6.239 -1.889 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.734 -6.788 0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.847 -8.993 0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.493 -7.784 -0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.355 -9.027 -1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.519 -8.884 1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.093 -8.921 -0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.572 -7.602 0.557 1.00 0.00 H new ATOM 103 N LYS A 7 -1.846 -8.413 -3.787 1.00 0.00 N ATOM 104 CA LYS A 7 -2.579 -9.518 -4.399 1.00 0.00 C ATOM 105 C LYS A 7 -1.646 -10.657 -4.727 1.00 0.00 C ATOM 106 O LYS A 7 -1.875 -11.790 -4.309 1.00 0.00 O ATOM 107 CB LYS A 7 -3.249 -9.066 -5.719 1.00 0.00 C ATOM 108 CG LYS A 7 -2.651 -7.737 -6.192 1.00 0.00 C ATOM 109 CD LYS A 7 -3.424 -7.199 -7.400 1.00 0.00 C ATOM 110 CE LYS A 7 -2.858 -5.819 -7.793 1.00 0.00 C ATOM 111 NZ LYS A 7 -3.621 -5.270 -8.936 1.00 0.00 N ATOM 0 H LYS A 7 -2.150 -7.493 -4.105 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.335 -9.841 -3.683 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.109 -9.829 -6.485 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.323 -8.957 -5.570 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.680 -7.009 -5.381 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.603 -7.877 -6.457 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.340 -7.891 -8.238 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.484 -7.115 -7.160 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.916 -5.137 -6.945 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.805 -5.910 -8.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.037 -4.573 -9.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.877 -6.041 -9.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.486 -4.810 -8.587 1.00 0.00 H new ATOM 125 N LEU A 8 -0.641 -10.360 -5.549 1.00 0.00 N ATOM 126 CA LEU A 8 0.241 -11.385 -6.081 1.00 0.00 C ATOM 127 C LEU A 8 0.969 -12.094 -4.958 1.00 0.00 C ATOM 128 O LEU A 8 1.007 -13.323 -4.913 1.00 0.00 O ATOM 129 CB LEU A 8 1.275 -10.757 -7.038 1.00 0.00 C ATOM 130 CG LEU A 8 0.686 -10.468 -8.455 1.00 0.00 C ATOM 131 CD1 LEU A 8 -0.713 -11.077 -8.649 1.00 0.00 C ATOM 132 CD2 LEU A 8 0.616 -8.956 -8.682 1.00 0.00 C ATOM 0 H LEU A 8 -0.421 -9.414 -5.859 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.368 -12.106 -6.626 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.646 -9.827 -6.606 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.129 -11.427 -7.134 1.00 0.00 H new ATOM 0 HG LEU A 8 1.350 -10.935 -9.182 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.075 -10.846 -9.651 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.660 -12.158 -8.523 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.397 -10.659 -7.911 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.205 -8.755 -9.671 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.024 -8.504 -7.924 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.617 -8.531 -8.612 1.00 0.00 H new ATOM 144 N ILE A 9 1.465 -11.322 -4.018 1.00 0.00 N ATOM 145 CA ILE A 9 2.106 -11.863 -2.834 1.00 0.00 C ATOM 146 C ILE A 9 1.061 -12.642 -2.021 1.00 0.00 C ATOM 147 O ILE A 9 1.322 -13.740 -1.539 1.00 0.00 O ATOM 148 CB ILE A 9 2.715 -10.700 -2.026 1.00 0.00 C ATOM 149 CG1 ILE A 9 3.885 -10.087 -2.823 1.00 0.00 C ATOM 150 CG2 ILE A 9 3.265 -11.225 -0.696 1.00 0.00 C ATOM 151 CD1 ILE A 9 3.772 -8.574 -2.831 1.00 0.00 C ATOM 0 H ILE A 9 1.437 -10.303 -4.049 1.00 0.00 H new ATOM 0 HA ILE A 9 2.911 -12.550 -3.097 1.00 0.00 H new ATOM 0 HB ILE A 9 1.943 -9.953 -1.842 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.834 -10.387 -2.379 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.877 -10.466 -3.845 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.694 -10.399 -0.129 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.457 -11.679 -0.122 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.035 -11.971 -0.890 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.602 -8.150 -3.396 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.830 -8.282 -3.296 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.802 -8.201 -1.807 1.00 0.00 H new ATOM 163 N ARG A 10 -0.130 -12.071 -1.896 1.00 0.00 N ATOM 164 CA ARG A 10 -1.227 -12.734 -1.186 1.00 0.00 C ATOM 165 C ARG A 10 -1.615 -14.054 -1.864 1.00 0.00 C ATOM 166 O ARG A 10 -1.748 -15.088 -1.197 1.00 0.00 O ATOM 167 CB ARG A 10 -2.444 -11.795 -1.126 1.00 0.00 C ATOM 168 CG ARG A 10 -3.752 -12.584 -0.976 1.00 0.00 C ATOM 169 CD ARG A 10 -4.628 -12.326 -2.202 1.00 0.00 C ATOM 170 NE ARG A 10 -5.885 -13.051 -2.092 1.00 0.00 N ATOM 171 CZ ARG A 10 -6.982 -12.661 -2.736 1.00 0.00 C ATOM 172 NH1 ARG A 10 -6.991 -11.525 -3.390 1.00 0.00 N ATOM 173 NH2 ARG A 10 -8.058 -13.392 -2.682 1.00 0.00 N ATOM 0 H ARG A 10 -0.365 -11.153 -2.274 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.891 -12.964 -0.175 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.334 -11.107 -0.288 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.484 -11.190 -2.032 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.541 -13.649 -0.881 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.274 -12.280 -0.069 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.824 -11.258 -2.298 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.101 -12.635 -3.105 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.926 -13.883 -1.504 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.156 -10.939 -3.406 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.833 -11.227 -3.883 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.058 -14.261 -2.147 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.901 -13.096 -3.174 1.00 0.00 H new ATOM 187 N GLU A 11 -1.825 -14.028 -3.184 1.00 0.00 N ATOM 188 CA GLU A 11 -2.225 -15.249 -3.878 1.00 0.00 C ATOM 189 C GLU A 11 -1.071 -16.240 -3.939 1.00 0.00 C ATOM 190 O GLU A 11 -1.268 -17.443 -4.117 1.00 0.00 O ATOM 191 CB GLU A 11 -2.774 -14.984 -5.286 1.00 0.00 C ATOM 192 CG GLU A 11 -1.772 -14.183 -6.118 1.00 0.00 C ATOM 193 CD GLU A 11 -2.160 -14.217 -7.573 1.00 0.00 C ATOM 194 OE1 GLU A 11 -3.304 -13.950 -7.867 1.00 0.00 O ATOM 195 OE2 GLU A 11 -1.311 -14.515 -8.377 1.00 0.00 O ATOM 0 H GLU A 11 -1.728 -13.202 -3.775 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.039 -15.681 -3.296 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.990 -15.931 -5.781 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.715 -14.438 -5.217 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.739 -13.152 -5.767 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.771 -14.595 -5.991 1.00 0.00 H new ATOM 202 N LYS A 12 0.131 -15.724 -3.795 1.00 0.00 N ATOM 203 CA LYS A 12 1.342 -16.522 -3.860 1.00 0.00 C ATOM 204 C LYS A 12 1.236 -17.638 -2.842 1.00 0.00 C ATOM 205 O LYS A 12 1.345 -18.822 -3.172 1.00 0.00 O ATOM 206 CB LYS A 12 2.474 -15.611 -3.422 1.00 0.00 C ATOM 207 CG LYS A 12 3.827 -16.269 -3.529 1.00 0.00 C ATOM 208 CD LYS A 12 4.820 -15.270 -2.953 1.00 0.00 C ATOM 209 CE LYS A 12 6.236 -15.772 -3.120 1.00 0.00 C ATOM 210 NZ LYS A 12 6.368 -17.115 -2.498 1.00 0.00 N ATOM 0 H LYS A 12 0.299 -14.732 -3.628 1.00 0.00 H new ATOM 0 HA LYS A 12 1.499 -16.932 -4.858 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.465 -14.708 -4.032 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.306 -15.300 -2.391 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.850 -17.207 -2.975 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.066 -16.505 -4.566 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.708 -14.308 -3.453 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.608 -15.107 -1.896 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.491 -15.824 -4.178 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.936 -15.076 -2.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.303 -17.200 -2.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.627 -17.239 -1.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.267 -17.848 -3.229 1.00 0.00 H new ATOM 224 N LYS A 13 0.888 -17.241 -1.637 1.00 0.00 N ATOM 225 CA LYS A 13 0.657 -18.170 -0.537 1.00 0.00 C ATOM 226 C LYS A 13 -0.815 -18.577 -0.485 1.00 0.00 C ATOM 227 O LYS A 13 -1.246 -19.251 0.455 1.00 0.00 O ATOM 228 CB LYS A 13 1.068 -17.530 0.804 1.00 0.00 C ATOM 229 CG LYS A 13 1.173 -15.996 0.653 1.00 0.00 C ATOM 230 CD LYS A 13 1.420 -15.353 2.022 1.00 0.00 C ATOM 231 CE LYS A 13 2.923 -15.123 2.216 1.00 0.00 C ATOM 232 NZ LYS A 13 3.229 -14.905 3.654 1.00 0.00 N ATOM 0 H LYS A 13 0.755 -16.262 -1.385 1.00 0.00 H new ATOM 0 HA LYS A 13 1.266 -19.058 -0.706 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.336 -17.778 1.573 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.025 -17.937 1.131 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.985 -15.744 -0.029 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.256 -15.601 0.216 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.884 -14.406 2.093 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.035 -15.997 2.813 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.480 -15.983 1.845 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.244 -14.259 1.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.582 -13.936 3.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.365 -15.042 4.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.954 -15.584 3.962 1.00 0.00 H new ATOM 246 N LYS A 14 -1.582 -18.134 -1.481 1.00 0.00 N ATOM 247 CA LYS A 14 -3.018 -18.396 -1.556 1.00 0.00 C ATOM 248 C LYS A 14 -3.737 -17.856 -0.329 1.00 0.00 C ATOM 249 O LYS A 14 -4.337 -18.616 0.443 1.00 0.00 O ATOM 250 CB LYS A 14 -3.299 -19.895 -1.710 1.00 0.00 C ATOM 251 CG LYS A 14 -2.676 -20.408 -3.007 1.00 0.00 C ATOM 252 CD LYS A 14 -3.414 -19.807 -4.214 1.00 0.00 C ATOM 253 CE LYS A 14 -3.782 -20.912 -5.212 1.00 0.00 C ATOM 254 NZ LYS A 14 -2.717 -21.950 -5.243 1.00 0.00 N ATOM 0 H LYS A 14 -1.223 -17.582 -2.260 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.398 -17.880 -2.438 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.890 -20.440 -0.859 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.374 -20.074 -1.717 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.620 -20.140 -3.045 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.730 -21.496 -3.041 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.315 -19.293 -3.880 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.785 -19.062 -4.701 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.733 -21.364 -4.931 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.914 -20.485 -6.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.746 -22.450 -6.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.788 -21.498 -5.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.871 -22.629 -4.470 1.00 0.00 H new ATOM 268 N ILE A 15 -3.636 -16.556 -0.127 1.00 0.00 N ATOM 269 CA ILE A 15 -4.247 -15.923 1.021 1.00 0.00 C ATOM 270 C ILE A 15 -5.592 -15.329 0.681 1.00 0.00 C ATOM 271 O ILE A 15 -5.758 -14.642 -0.331 1.00 0.00 O ATOM 272 CB ILE A 15 -3.322 -14.878 1.641 1.00 0.00 C ATOM 273 CG1 ILE A 15 -2.017 -15.527 2.074 1.00 0.00 C ATOM 274 CG2 ILE A 15 -3.973 -14.186 2.837 1.00 0.00 C ATOM 275 CD1 ILE A 15 -2.289 -16.772 2.921 1.00 0.00 C ATOM 0 H ILE A 15 -3.135 -15.918 -0.746 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.413 -16.701 1.766 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.123 -14.122 0.881 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.431 -15.799 1.196 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.423 -14.814 2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.284 -13.450 3.251 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.887 -13.687 2.515 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.213 -14.927 3.600 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.343 -17.222 3.221 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.855 -16.491 3.809 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.864 -17.491 2.337 1.00 0.00 H new ATOM 287 N SER A 16 -6.549 -15.637 1.514 1.00 0.00 N ATOM 288 CA SER A 16 -7.906 -15.173 1.342 1.00 0.00 C ATOM 289 C SER A 16 -8.014 -13.729 1.800 1.00 0.00 C ATOM 290 O SER A 16 -7.387 -13.331 2.783 1.00 0.00 O ATOM 291 CB SER A 16 -8.852 -16.057 2.152 1.00 0.00 C ATOM 292 OG SER A 16 -8.396 -17.407 2.068 1.00 0.00 O ATOM 0 H SER A 16 -6.412 -16.221 2.339 1.00 0.00 H new ATOM 0 HA SER A 16 -8.182 -15.229 0.289 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.878 -15.730 3.192 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.868 -15.976 1.767 1.00 0.00 H new ATOM 0 HG SER A 16 -7.840 -17.614 2.848 1.00 0.00 H new ATOM 298 N GLN A 17 -8.814 -12.944 1.120 1.00 0.00 N ATOM 299 CA GLN A 17 -8.975 -11.555 1.511 1.00 0.00 C ATOM 300 C GLN A 17 -9.604 -11.465 2.898 1.00 0.00 C ATOM 301 O GLN A 17 -9.203 -10.646 3.719 1.00 0.00 O ATOM 302 CB GLN A 17 -9.820 -10.804 0.479 1.00 0.00 C ATOM 303 CG GLN A 17 -9.040 -10.682 -0.831 1.00 0.00 C ATOM 304 CD GLN A 17 -7.854 -9.752 -0.620 1.00 0.00 C ATOM 305 OE1 GLN A 17 -8.031 -8.611 -0.204 1.00 0.00 O ATOM 306 NE2 GLN A 17 -6.655 -10.172 -0.853 1.00 0.00 N ATOM 0 H GLN A 17 -9.358 -13.231 0.306 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.992 -11.086 1.551 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.758 -11.332 0.308 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.076 -9.814 0.855 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.695 -11.664 -1.156 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.686 -10.294 -1.619 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.505 -11.120 -1.199 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.858 -9.556 -0.691 1.00 0.00 H new ATOM 315 N SER A 18 -10.581 -12.315 3.155 1.00 0.00 N ATOM 316 CA SER A 18 -11.256 -12.325 4.444 1.00 0.00 C ATOM 317 C SER A 18 -10.287 -12.669 5.578 1.00 0.00 C ATOM 318 O SER A 18 -10.244 -11.974 6.604 1.00 0.00 O ATOM 319 CB SER A 18 -12.400 -13.331 4.421 1.00 0.00 C ATOM 320 OG SER A 18 -13.199 -13.103 3.258 1.00 0.00 O ATOM 0 H SER A 18 -10.926 -13.008 2.490 1.00 0.00 H new ATOM 0 HA SER A 18 -11.650 -11.325 4.626 1.00 0.00 H new ATOM 0 HB2 SER A 18 -12.007 -14.348 4.414 1.00 0.00 H new ATOM 0 HB3 SER A 18 -13.008 -13.230 5.320 1.00 0.00 H new ATOM 0 HG SER A 18 -13.125 -13.871 2.654 1.00 0.00 H new ATOM 326 N GLU A 19 -9.479 -13.711 5.379 1.00 0.00 N ATOM 327 CA GLU A 19 -8.512 -14.110 6.394 1.00 0.00 C ATOM 328 C GLU A 19 -7.441 -13.054 6.521 1.00 0.00 C ATOM 329 O GLU A 19 -7.047 -12.682 7.621 1.00 0.00 O ATOM 330 CB GLU A 19 -7.908 -15.503 6.095 1.00 0.00 C ATOM 331 CG GLU A 19 -6.805 -15.434 5.021 1.00 0.00 C ATOM 332 CD GLU A 19 -6.349 -16.835 4.656 1.00 0.00 C ATOM 333 OE1 GLU A 19 -6.039 -17.586 5.550 1.00 0.00 O ATOM 334 OE2 GLU A 19 -6.327 -17.148 3.487 1.00 0.00 O ATOM 0 H GLU A 19 -9.476 -14.285 4.536 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.030 -14.197 7.349 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.496 -15.924 7.012 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.697 -16.177 5.762 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.180 -14.922 4.135 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.961 -14.853 5.392 1.00 0.00 H new ATOM 341 N LEU A 20 -7.057 -12.499 5.388 1.00 0.00 N ATOM 342 CA LEU A 20 -6.097 -11.416 5.361 1.00 0.00 C ATOM 343 C LEU A 20 -6.661 -10.259 6.159 1.00 0.00 C ATOM 344 O LEU A 20 -6.030 -9.759 7.085 1.00 0.00 O ATOM 345 CB LEU A 20 -5.951 -10.960 3.909 1.00 0.00 C ATOM 346 CG LEU A 20 -5.014 -9.758 3.792 1.00 0.00 C ATOM 347 CD1 LEU A 20 -3.554 -10.197 3.927 1.00 0.00 C ATOM 348 CD2 LEU A 20 -5.257 -9.081 2.446 1.00 0.00 C ATOM 0 H LEU A 20 -7.398 -12.783 4.470 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.140 -11.736 5.773 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.567 -11.782 3.305 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.930 -10.700 3.508 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.218 -9.052 4.597 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.903 -9.327 3.841 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.404 -10.668 4.899 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.314 -10.909 3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.595 -8.220 2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.056 -9.788 1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.294 -8.750 2.387 1.00 0.00 H new ATOM 360 N ALA A 21 -7.900 -9.912 5.857 1.00 0.00 N ATOM 361 CA ALA A 21 -8.581 -8.833 6.550 1.00 0.00 C ATOM 362 C ALA A 21 -8.638 -9.113 8.035 1.00 0.00 C ATOM 363 O ALA A 21 -8.528 -8.193 8.854 1.00 0.00 O ATOM 364 CB ALA A 21 -9.995 -8.631 5.992 1.00 0.00 C ATOM 0 H ALA A 21 -8.457 -10.365 5.132 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.016 -7.915 6.388 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.485 -7.817 6.527 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.936 -8.384 4.932 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.571 -9.548 6.120 1.00 0.00 H new ATOM 370 N ALA A 22 -8.759 -10.387 8.389 1.00 0.00 N ATOM 371 CA ALA A 22 -8.773 -10.769 9.786 1.00 0.00 C ATOM 372 C ALA A 22 -7.451 -10.426 10.421 1.00 0.00 C ATOM 373 O ALA A 22 -7.402 -9.913 11.544 1.00 0.00 O ATOM 374 CB ALA A 22 -9.054 -12.266 9.945 1.00 0.00 C ATOM 0 H ALA A 22 -8.848 -11.162 7.732 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.571 -10.218 10.284 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.059 -12.525 11.004 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.025 -12.502 9.509 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.279 -12.838 9.435 1.00 0.00 H new ATOM 380 N LEU A 23 -6.378 -10.715 9.703 1.00 0.00 N ATOM 381 CA LEU A 23 -5.043 -10.428 10.188 1.00 0.00 C ATOM 382 C LEU A 23 -4.872 -8.920 10.313 1.00 0.00 C ATOM 383 O LEU A 23 -4.266 -8.416 11.267 1.00 0.00 O ATOM 384 CB LEU A 23 -3.984 -10.981 9.216 1.00 0.00 C ATOM 385 CG LEU A 23 -4.119 -12.511 9.085 1.00 0.00 C ATOM 386 CD1 LEU A 23 -2.949 -13.083 8.285 1.00 0.00 C ATOM 387 CD2 LEU A 23 -4.202 -13.177 10.452 1.00 0.00 C ATOM 0 H LEU A 23 -6.408 -11.149 8.780 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.910 -10.904 11.159 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.101 -10.515 8.238 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.986 -10.727 9.573 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.046 -12.721 8.552 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.059 -14.164 8.202 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.939 -12.641 7.289 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.013 -12.852 8.794 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.297 -14.256 10.326 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.298 -12.956 11.020 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.071 -12.797 10.990 1.00 0.00 H new ATOM 399 N LEU A 24 -5.381 -8.208 9.313 1.00 0.00 N ATOM 400 CA LEU A 24 -5.267 -6.756 9.258 1.00 0.00 C ATOM 401 C LEU A 24 -6.201 -6.103 10.263 1.00 0.00 C ATOM 402 O LEU A 24 -6.019 -4.937 10.625 1.00 0.00 O ATOM 403 CB LEU A 24 -5.604 -6.247 7.849 1.00 0.00 C ATOM 404 CG LEU A 24 -4.743 -6.973 6.810 1.00 0.00 C ATOM 405 CD1 LEU A 24 -5.067 -6.475 5.404 1.00 0.00 C ATOM 406 CD2 LEU A 24 -3.267 -6.786 7.109 1.00 0.00 C ATOM 0 H LEU A 24 -5.880 -8.618 8.524 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.239 -6.491 9.504 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.660 -6.411 7.637 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.431 -5.172 7.790 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.972 -8.037 6.863 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.446 -7.002 4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.118 -6.662 5.185 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.868 -5.405 5.342 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.675 -7.310 6.359 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.023 -5.724 7.087 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.042 -7.190 8.096 1.00 0.00 H new ATOM 418 N GLU A 25 -7.267 -6.814 10.609 1.00 0.00 N ATOM 419 CA GLU A 25 -8.314 -6.287 11.479 1.00 0.00 C ATOM 420 C GLU A 25 -9.072 -5.164 10.765 1.00 0.00 C ATOM 421 O GLU A 25 -9.621 -4.252 11.401 1.00 0.00 O ATOM 422 CB GLU A 25 -7.713 -5.778 12.801 1.00 0.00 C ATOM 423 CG GLU A 25 -7.041 -6.949 13.542 1.00 0.00 C ATOM 424 CD GLU A 25 -6.370 -6.473 14.818 1.00 0.00 C ATOM 425 OE1 GLU A 25 -6.558 -5.336 15.194 1.00 0.00 O ATOM 426 OE2 GLU A 25 -5.657 -7.251 15.401 1.00 0.00 O ATOM 0 H GLU A 25 -7.431 -7.771 10.296 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.014 -7.090 11.711 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.984 -4.992 12.603 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.493 -5.340 13.423 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.786 -7.708 13.780 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.303 -7.419 12.892 1.00 0.00 H new ATOM 433 N VAL A 26 -9.126 -5.256 9.445 1.00 0.00 N ATOM 434 CA VAL A 26 -9.830 -4.274 8.626 1.00 0.00 C ATOM 435 C VAL A 26 -10.740 -4.957 7.625 1.00 0.00 C ATOM 436 O VAL A 26 -10.703 -6.180 7.473 1.00 0.00 O ATOM 437 CB VAL A 26 -8.850 -3.329 7.919 1.00 0.00 C ATOM 438 CG1 VAL A 26 -8.058 -2.540 8.961 1.00 0.00 C ATOM 439 CG2 VAL A 26 -7.884 -4.126 7.031 1.00 0.00 C ATOM 0 H VAL A 26 -8.687 -6.007 8.912 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.448 -3.671 9.291 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.416 -2.641 7.291 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.362 -1.869 8.458 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.744 -1.957 9.575 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.502 -3.231 9.595 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.195 -3.441 6.536 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.320 -4.827 7.645 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.450 -4.676 6.280 1.00 0.00 H new ATOM 449 N SER A 27 -11.632 -4.189 7.041 1.00 0.00 N ATOM 450 CA SER A 27 -12.650 -4.730 6.165 1.00 0.00 C ATOM 451 C SER A 27 -12.040 -5.317 4.880 1.00 0.00 C ATOM 452 O SER A 27 -11.228 -4.668 4.205 1.00 0.00 O ATOM 453 CB SER A 27 -13.632 -3.621 5.804 1.00 0.00 C ATOM 454 OG SER A 27 -13.808 -2.757 6.935 1.00 0.00 O ATOM 0 H SER A 27 -11.674 -3.177 7.158 1.00 0.00 H new ATOM 0 HA SER A 27 -13.161 -5.538 6.689 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.259 -3.052 4.952 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.589 -4.050 5.507 1.00 0.00 H new ATOM 0 HG SER A 27 -14.438 -2.042 6.706 1.00 0.00 H new ATOM 460 N ARG A 28 -12.550 -6.467 4.479 1.00 0.00 N ATOM 461 CA ARG A 28 -12.180 -7.084 3.212 1.00 0.00 C ATOM 462 C ARG A 28 -12.548 -6.192 2.035 1.00 0.00 C ATOM 463 O ARG A 28 -11.805 -6.111 1.044 1.00 0.00 O ATOM 464 CB ARG A 28 -12.843 -8.466 3.068 1.00 0.00 C ATOM 465 CG ARG A 28 -12.575 -9.030 1.671 1.00 0.00 C ATOM 466 CD ARG A 28 -13.210 -10.418 1.517 1.00 0.00 C ATOM 467 NE ARG A 28 -14.673 -10.340 1.580 1.00 0.00 N ATOM 468 CZ ARG A 28 -15.432 -11.446 1.541 1.00 0.00 C ATOM 469 NH1 ARG A 28 -14.862 -12.610 1.443 1.00 0.00 N ATOM 470 NH2 ARG A 28 -16.729 -11.363 1.588 1.00 0.00 N ATOM 0 H ARG A 28 -13.231 -7.001 5.019 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.098 -7.215 3.209 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.453 -9.146 3.825 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.917 -8.383 3.236 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.978 -8.354 0.917 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.501 -9.095 1.499 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.907 -10.856 0.566 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.844 -11.078 2.303 1.00 0.00 H new ATOM 0 HE ARG A 28 -15.122 -9.427 1.655 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.845 -12.678 1.396 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -15.431 -13.456 1.413 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -17.180 -10.450 1.655 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -17.296 -12.211 1.558 1.00 0.00 H new ATOM 484 N GLN A 29 -13.724 -5.578 2.107 1.00 0.00 N ATOM 485 CA GLN A 29 -14.218 -4.768 1.009 1.00 0.00 C ATOM 486 C GLN A 29 -13.170 -3.757 0.595 1.00 0.00 C ATOM 487 O GLN A 29 -12.969 -3.500 -0.591 1.00 0.00 O ATOM 488 CB GLN A 29 -15.527 -4.066 1.404 1.00 0.00 C ATOM 489 CG GLN A 29 -15.315 -3.228 2.674 1.00 0.00 C ATOM 490 CD GLN A 29 -16.649 -2.665 3.157 1.00 0.00 C ATOM 491 OE1 GLN A 29 -17.717 -3.172 2.787 1.00 0.00 O ATOM 492 NE2 GLN A 29 -16.660 -1.660 3.970 1.00 0.00 N ATOM 0 H GLN A 29 -14.348 -5.628 2.912 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.426 -5.418 0.159 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -15.866 -3.426 0.589 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -16.309 -4.806 1.574 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.866 -3.843 3.454 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.620 -2.414 2.470 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -15.781 -1.242 4.276 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -17.547 -1.286 4.306 1.00 0.00 H new ATOM 501 N THR A 30 -12.489 -3.200 1.571 1.00 0.00 N ATOM 502 CA THR A 30 -11.454 -2.242 1.295 1.00 0.00 C ATOM 503 C THR A 30 -10.190 -2.919 0.743 1.00 0.00 C ATOM 504 O THR A 30 -9.699 -2.541 -0.313 1.00 0.00 O ATOM 505 CB THR A 30 -11.143 -1.439 2.566 1.00 0.00 C ATOM 506 OG1 THR A 30 -11.685 -2.126 3.697 1.00 0.00 O ATOM 507 CG2 THR A 30 -11.784 -0.050 2.472 1.00 0.00 C ATOM 0 H THR A 30 -12.636 -3.397 2.561 1.00 0.00 H new ATOM 0 HA THR A 30 -11.810 -1.560 0.523 1.00 0.00 H new ATOM 0 HB THR A 30 -10.063 -1.334 2.672 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.220 -2.981 3.814 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.560 0.516 3.376 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.384 0.477 1.606 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.864 -0.154 2.367 1.00 0.00 H new ATOM 515 N ILE A 31 -9.675 -3.922 1.451 1.00 0.00 N ATOM 516 CA ILE A 31 -8.415 -4.557 1.031 1.00 0.00 C ATOM 517 C ILE A 31 -8.548 -5.226 -0.327 1.00 0.00 C ATOM 518 O ILE A 31 -7.697 -5.049 -1.205 1.00 0.00 O ATOM 519 CB ILE A 31 -7.952 -5.600 2.059 1.00 0.00 C ATOM 520 CG1 ILE A 31 -7.845 -4.965 3.449 1.00 0.00 C ATOM 521 CG2 ILE A 31 -6.580 -6.140 1.646 1.00 0.00 C ATOM 522 CD1 ILE A 31 -6.844 -3.806 3.426 1.00 0.00 C ATOM 0 H ILE A 31 -10.093 -4.309 2.297 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.673 -3.762 0.960 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.679 -6.411 2.094 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.823 -4.604 3.768 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.529 -5.714 4.175 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.247 -6.881 2.373 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.653 -6.604 0.662 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.863 -5.320 1.609 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.777 -3.363 4.420 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.864 -4.178 3.128 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.178 -3.051 2.714 1.00 0.00 H new ATOM 534 N ASN A 32 -9.614 -5.988 -0.504 1.00 0.00 N ATOM 535 CA ASN A 32 -9.820 -6.694 -1.754 1.00 0.00 C ATOM 536 C ASN A 32 -10.000 -5.697 -2.884 1.00 0.00 C ATOM 537 O ASN A 32 -9.613 -5.952 -4.023 1.00 0.00 O ATOM 538 CB ASN A 32 -11.016 -7.647 -1.658 1.00 0.00 C ATOM 539 CG ASN A 32 -12.278 -6.954 -2.136 1.00 0.00 C ATOM 540 OD1 ASN A 32 -12.890 -6.141 -1.348 1.00 0.00 O flip ATOM 541 ND2 ASN A 32 -12.706 -7.155 -3.272 1.00 0.00 N flip ATOM 0 H ASN A 32 -10.343 -6.132 0.195 1.00 0.00 H new ATOM 0 HA ASN A 32 -8.939 -7.301 -1.963 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.831 -8.537 -2.260 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -11.143 -7.980 -0.628 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -12.219 -7.800 -3.894 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -13.548 -6.677 -3.592 1.00 0.00 H new ATOM 548 N GLY A 33 -10.554 -4.547 -2.552 1.00 0.00 N ATOM 549 CA GLY A 33 -10.692 -3.468 -3.515 1.00 0.00 C ATOM 550 C GLY A 33 -9.318 -2.910 -3.882 1.00 0.00 C ATOM 551 O GLY A 33 -9.070 -2.522 -5.036 1.00 0.00 O ATOM 0 H GLY A 33 -10.916 -4.334 -1.623 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.196 -3.832 -4.410 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.315 -2.676 -3.098 1.00 0.00 H new ATOM 555 N ILE A 34 -8.443 -2.825 -2.883 1.00 0.00 N ATOM 556 CA ILE A 34 -7.115 -2.247 -3.059 1.00 0.00 C ATOM 557 C ILE A 34 -6.269 -3.041 -4.050 1.00 0.00 C ATOM 558 O ILE A 34 -5.667 -2.463 -4.961 1.00 0.00 O ATOM 559 CB ILE A 34 -6.412 -2.112 -1.688 1.00 0.00 C ATOM 560 CG1 ILE A 34 -7.116 -1.037 -0.850 1.00 0.00 C ATOM 561 CG2 ILE A 34 -4.944 -1.731 -1.852 1.00 0.00 C ATOM 562 CD1 ILE A 34 -6.592 -1.060 0.589 1.00 0.00 C ATOM 0 H ILE A 34 -8.633 -3.152 -1.936 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.233 -1.252 -3.488 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.467 -3.078 -1.187 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.948 -0.054 -1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.192 -1.208 -0.855 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.479 -1.644 -0.870 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.431 -2.500 -2.430 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.872 -0.777 -2.373 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.099 -0.292 1.173 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.784 -2.038 1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.519 -0.866 0.589 1.00 0.00 H new ATOM 574 N GLU A 35 -6.275 -4.361 -3.940 1.00 0.00 N ATOM 575 CA GLU A 35 -5.514 -5.165 -4.891 1.00 0.00 C ATOM 576 C GLU A 35 -6.083 -4.973 -6.300 1.00 0.00 C ATOM 577 O GLU A 35 -5.338 -4.839 -7.275 1.00 0.00 O ATOM 578 CB GLU A 35 -5.489 -6.663 -4.482 1.00 0.00 C ATOM 579 CG GLU A 35 -6.867 -7.294 -4.702 1.00 0.00 C ATOM 580 CD GLU A 35 -6.920 -8.757 -4.256 1.00 0.00 C ATOM 581 OE1 GLU A 35 -5.885 -9.323 -3.951 1.00 0.00 O ATOM 582 OE2 GLU A 35 -8.002 -9.302 -4.248 1.00 0.00 O ATOM 0 H GLU A 35 -6.780 -4.887 -3.227 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.479 -4.825 -4.885 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.740 -7.195 -5.068 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.201 -6.757 -3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.616 -6.723 -4.153 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.128 -7.230 -5.758 1.00 0.00 H new ATOM 589 N LYS A 36 -7.405 -4.928 -6.399 1.00 0.00 N ATOM 590 CA LYS A 36 -8.047 -4.701 -7.685 1.00 0.00 C ATOM 591 C LYS A 36 -7.792 -3.297 -8.208 1.00 0.00 C ATOM 592 O LYS A 36 -7.422 -3.128 -9.371 1.00 0.00 O ATOM 593 CB LYS A 36 -9.551 -4.995 -7.623 1.00 0.00 C ATOM 594 CG LYS A 36 -9.810 -6.398 -8.191 1.00 0.00 C ATOM 595 CD LYS A 36 -9.340 -7.457 -7.194 1.00 0.00 C ATOM 596 CE LYS A 36 -8.262 -8.340 -7.828 1.00 0.00 C ATOM 597 NZ LYS A 36 -8.766 -8.908 -9.106 1.00 0.00 N ATOM 0 H LYS A 36 -8.046 -5.044 -5.614 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.596 -5.400 -8.389 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.904 -4.934 -6.594 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.104 -4.250 -8.194 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.873 -6.526 -8.397 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.285 -6.519 -9.138 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.946 -6.975 -6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.184 -8.071 -6.879 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.360 -7.755 -8.010 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.989 -9.144 -7.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.401 -9.875 -9.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.806 -8.930 -9.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.445 -8.317 -9.899 1.00 0.00 H new ATOM 611 N ASN A 37 -7.955 -2.285 -7.363 1.00 0.00 N ATOM 612 CA ASN A 37 -7.713 -0.914 -7.814 1.00 0.00 C ATOM 613 C ASN A 37 -7.741 0.100 -6.685 1.00 0.00 C ATOM 614 O ASN A 37 -7.178 1.188 -6.821 1.00 0.00 O ATOM 615 CB ASN A 37 -8.741 -0.503 -8.889 1.00 0.00 C ATOM 616 CG ASN A 37 -10.038 -0.041 -8.236 1.00 0.00 C ATOM 617 OD1 ASN A 37 -10.145 1.119 -7.813 1.00 0.00 O ATOM 618 ND2 ASN A 37 -11.033 -0.872 -8.116 1.00 0.00 N ATOM 0 H ASN A 37 -8.245 -2.379 -6.390 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.707 -0.911 -8.234 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.332 0.297 -9.505 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.940 -1.345 -9.552 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -11.901 -0.568 -7.674 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.945 -1.827 -8.464 1.00 0.00 H new ATOM 625 N LYS A 38 -8.514 -0.181 -5.643 1.00 0.00 N ATOM 626 CA LYS A 38 -8.762 0.812 -4.595 1.00 0.00 C ATOM 627 C LYS A 38 -7.458 1.452 -4.121 1.00 0.00 C ATOM 628 O LYS A 38 -6.383 0.851 -4.215 1.00 0.00 O ATOM 629 CB LYS A 38 -9.538 0.201 -3.412 1.00 0.00 C ATOM 630 CG LYS A 38 -10.461 1.260 -2.769 1.00 0.00 C ATOM 631 CD LYS A 38 -11.689 1.468 -3.679 1.00 0.00 C ATOM 632 CE LYS A 38 -12.719 2.390 -3.005 1.00 0.00 C ATOM 633 NZ LYS A 38 -13.287 1.717 -1.813 1.00 0.00 N ATOM 0 H LYS A 38 -8.978 -1.078 -5.498 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.383 1.596 -5.028 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.131 -0.646 -3.757 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.839 -0.181 -2.668 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.777 0.934 -1.778 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.924 2.200 -2.639 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.374 1.900 -4.629 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.148 0.505 -3.903 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.246 3.328 -2.714 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.514 2.638 -3.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.183 2.174 -1.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.460 0.715 -2.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.616 1.789 -1.021 1.00 0.00 H new ATOM 647 N TYR A 39 -7.549 2.712 -3.742 1.00 0.00 N ATOM 648 CA TYR A 39 -6.388 3.500 -3.349 1.00 0.00 C ATOM 649 C TYR A 39 -5.539 2.782 -2.309 1.00 0.00 C ATOM 650 O TYR A 39 -6.060 2.039 -1.477 1.00 0.00 O ATOM 651 CB TYR A 39 -6.818 4.877 -2.819 1.00 0.00 C ATOM 652 CG TYR A 39 -8.219 4.804 -2.247 1.00 0.00 C ATOM 653 CD1 TYR A 39 -8.442 4.236 -0.987 1.00 0.00 C ATOM 654 CD2 TYR A 39 -9.294 5.306 -2.983 1.00 0.00 C ATOM 655 CE1 TYR A 39 -9.743 4.173 -0.470 1.00 0.00 C ATOM 656 CE2 TYR A 39 -10.586 5.244 -2.469 1.00 0.00 C ATOM 657 CZ TYR A 39 -10.811 4.678 -1.214 1.00 0.00 C ATOM 658 OH TYR A 39 -12.089 4.612 -0.710 1.00 0.00 O ATOM 0 H TYR A 39 -8.431 3.223 -3.696 1.00 0.00 H new ATOM 0 HA TYR A 39 -5.777 3.637 -4.241 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -6.121 5.213 -2.051 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.784 5.611 -3.624 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -7.613 3.847 -0.414 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -9.122 5.744 -3.955 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -9.919 3.735 0.501 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -11.414 5.634 -3.042 1.00 0.00 H new ATOM 0 HH TYR A 39 -12.715 5.008 -1.352 1.00 0.00 H new ATOM 668 N ASN A 40 -4.228 3.001 -2.382 1.00 0.00 N ATOM 669 CA ASN A 40 -3.281 2.361 -1.467 1.00 0.00 C ATOM 670 C ASN A 40 -3.736 2.476 -0.019 1.00 0.00 C ATOM 671 O ASN A 40 -4.356 3.469 0.374 1.00 0.00 O ATOM 672 CB ASN A 40 -1.867 2.948 -1.616 1.00 0.00 C ATOM 673 CG ASN A 40 -1.856 4.429 -1.251 1.00 0.00 C ATOM 674 OD1 ASN A 40 -1.880 4.781 -0.073 1.00 0.00 O ATOM 675 ND2 ASN A 40 -1.820 5.326 -2.197 1.00 0.00 N ATOM 0 H ASN A 40 -3.794 3.619 -3.068 1.00 0.00 H new ATOM 0 HA ASN A 40 -3.250 1.306 -1.738 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.173 2.405 -0.974 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.520 2.819 -2.641 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.812 6.318 -1.959 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -1.800 5.036 -3.175 1.00 0.00 H new ATOM 682 N PRO A 41 -3.412 1.484 0.781 1.00 0.00 N ATOM 683 CA PRO A 41 -3.755 1.460 2.230 1.00 0.00 C ATOM 684 C PRO A 41 -2.888 2.419 3.025 1.00 0.00 C ATOM 685 O PRO A 41 -1.797 2.798 2.582 1.00 0.00 O ATOM 686 CB PRO A 41 -3.479 0.012 2.640 1.00 0.00 C ATOM 687 CG PRO A 41 -2.395 -0.434 1.719 1.00 0.00 C ATOM 688 CD PRO A 41 -2.668 0.265 0.382 1.00 0.00 C ATOM 0 HA PRO A 41 -4.782 1.772 2.420 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.167 -0.053 3.682 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.370 -0.607 2.535 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.414 -0.162 2.109 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.402 -1.518 1.602 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.743 0.511 -0.140 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.255 -0.363 -0.288 1.00 0.00 H new ATOM 696 N SER A 42 -3.319 2.735 4.225 1.00 0.00 N ATOM 697 CA SER A 42 -2.523 3.557 5.106 1.00 0.00 C ATOM 698 C SER A 42 -1.197 2.860 5.379 1.00 0.00 C ATOM 699 O SER A 42 -1.103 1.630 5.273 1.00 0.00 O ATOM 700 CB SER A 42 -3.290 3.828 6.401 1.00 0.00 C ATOM 701 OG SER A 42 -4.256 2.789 6.609 1.00 0.00 O ATOM 0 H SER A 42 -4.214 2.436 4.612 1.00 0.00 H new ATOM 0 HA SER A 42 -2.317 4.518 4.635 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.599 3.872 7.243 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.787 4.796 6.346 1.00 0.00 H new ATOM 0 HG SER A 42 -4.747 2.960 7.440 1.00 0.00 H new ATOM 707 N LEU A 43 -0.156 3.636 5.625 1.00 0.00 N ATOM 708 CA LEU A 43 1.174 3.075 5.740 1.00 0.00 C ATOM 709 C LEU A 43 1.247 2.090 6.885 1.00 0.00 C ATOM 710 O LEU A 43 1.727 0.972 6.720 1.00 0.00 O ATOM 711 CB LEU A 43 2.216 4.192 5.919 1.00 0.00 C ATOM 712 CG LEU A 43 3.632 3.596 6.028 1.00 0.00 C ATOM 713 CD1 LEU A 43 3.943 2.757 4.780 1.00 0.00 C ATOM 714 CD2 LEU A 43 4.658 4.732 6.132 1.00 0.00 C ATOM 0 H LEU A 43 -0.207 4.647 5.748 1.00 0.00 H new ATOM 0 HA LEU A 43 1.398 2.538 4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.169 4.880 5.075 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.988 4.770 6.815 1.00 0.00 H new ATOM 0 HG LEU A 43 3.684 2.964 6.915 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.946 2.338 4.864 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.218 1.948 4.696 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.886 3.389 3.894 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.660 4.311 6.209 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.596 5.361 5.244 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.448 5.332 7.017 1.00 0.00 H new ATOM 726 N GLN A 44 0.684 2.459 8.008 1.00 0.00 N ATOM 727 CA GLN A 44 0.647 1.574 9.143 1.00 0.00 C ATOM 728 C GLN A 44 -0.100 0.306 8.763 1.00 0.00 C ATOM 729 O GLN A 44 0.382 -0.806 8.984 1.00 0.00 O ATOM 730 CB GLN A 44 -0.093 2.268 10.286 1.00 0.00 C ATOM 731 CG GLN A 44 -0.119 1.370 11.515 1.00 0.00 C ATOM 732 CD GLN A 44 -1.198 1.850 12.463 1.00 0.00 C ATOM 733 OE1 GLN A 44 -0.910 2.274 13.583 1.00 0.00 O ATOM 734 NE2 GLN A 44 -2.426 1.817 12.074 1.00 0.00 N ATOM 0 H GLN A 44 0.245 3.367 8.160 1.00 0.00 H new ATOM 0 HA GLN A 44 1.661 1.324 9.453 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.396 3.212 10.526 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.111 2.506 9.979 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.310 0.338 11.221 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.851 1.386 12.012 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.657 1.465 11.145 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.167 2.143 12.695 1.00 0.00 H new ATOM 743 N LEU A 45 -1.247 0.476 8.125 1.00 0.00 N ATOM 744 CA LEU A 45 -2.023 -0.665 7.687 1.00 0.00 C ATOM 745 C LEU A 45 -1.212 -1.469 6.677 1.00 0.00 C ATOM 746 O LEU A 45 -1.054 -2.681 6.818 1.00 0.00 O ATOM 747 CB LEU A 45 -3.366 -0.200 7.088 1.00 0.00 C ATOM 748 CG LEU A 45 -4.425 -1.327 7.148 1.00 0.00 C ATOM 749 CD1 LEU A 45 -4.036 -2.472 6.213 1.00 0.00 C ATOM 750 CD2 LEU A 45 -4.562 -1.859 8.579 1.00 0.00 C ATOM 0 H LEU A 45 -1.655 1.384 7.902 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.248 -1.306 8.540 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.728 0.672 7.633 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.218 0.109 6.053 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.381 -0.913 6.829 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.790 -3.257 6.266 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.970 -2.100 5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.070 -2.876 6.515 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.311 -2.651 8.603 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.603 -2.256 8.913 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.869 -1.049 9.240 1.00 0.00 H new ATOM 762 N ALA A 46 -0.582 -0.767 5.739 1.00 0.00 N ATOM 763 CA ALA A 46 0.293 -1.414 4.764 1.00 0.00 C ATOM 764 C ALA A 46 1.422 -2.146 5.469 1.00 0.00 C ATOM 765 O ALA A 46 1.706 -3.314 5.174 1.00 0.00 O ATOM 766 CB ALA A 46 0.874 -0.381 3.786 1.00 0.00 C ATOM 0 H ALA A 46 -0.660 0.244 5.633 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.301 -2.134 4.201 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.523 -0.884 3.069 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.061 0.115 3.255 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.451 0.360 4.340 1.00 0.00 H new ATOM 772 N LEU A 47 2.019 -1.488 6.448 1.00 0.00 N ATOM 773 CA LEU A 47 3.082 -2.100 7.228 1.00 0.00 C ATOM 774 C LEU A 47 2.552 -3.316 7.962 1.00 0.00 C ATOM 775 O LEU A 47 3.190 -4.382 7.969 1.00 0.00 O ATOM 776 CB LEU A 47 3.684 -1.100 8.218 1.00 0.00 C ATOM 777 CG LEU A 47 4.480 -0.017 7.464 1.00 0.00 C ATOM 778 CD1 LEU A 47 4.916 1.071 8.445 1.00 0.00 C ATOM 779 CD2 LEU A 47 5.726 -0.641 6.815 1.00 0.00 C ATOM 0 H LEU A 47 1.787 -0.533 6.721 1.00 0.00 H new ATOM 0 HA LEU A 47 3.872 -2.413 6.545 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.891 -0.636 8.805 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.337 -1.620 8.919 1.00 0.00 H new ATOM 0 HG LEU A 47 3.847 0.417 6.690 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.479 1.837 7.912 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.036 1.521 8.904 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.545 0.632 9.220 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.284 0.130 6.284 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.358 -1.079 7.588 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.421 -1.417 6.113 1.00 0.00 H new ATOM 791 N LYS A 48 1.341 -3.197 8.503 1.00 0.00 N ATOM 792 CA LYS A 48 0.704 -4.344 9.135 1.00 0.00 C ATOM 793 C LYS A 48 0.500 -5.438 8.102 1.00 0.00 C ATOM 794 O LYS A 48 0.776 -6.615 8.366 1.00 0.00 O ATOM 795 CB LYS A 48 -0.659 -3.973 9.754 1.00 0.00 C ATOM 796 CG LYS A 48 -0.464 -3.065 10.982 1.00 0.00 C ATOM 797 CD LYS A 48 -1.836 -2.681 11.567 1.00 0.00 C ATOM 798 CE LYS A 48 -1.640 -1.727 12.755 1.00 0.00 C ATOM 799 NZ LYS A 48 -0.822 -2.383 13.801 1.00 0.00 N ATOM 0 H LYS A 48 0.793 -2.337 8.516 1.00 0.00 H new ATOM 0 HA LYS A 48 1.357 -4.690 9.936 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.275 -3.465 9.013 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.192 -4.878 10.045 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.132 -3.579 11.736 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.086 -2.167 10.699 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.449 -2.204 10.802 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.368 -3.576 11.890 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.152 -0.812 12.420 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.608 -1.440 13.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.943 -1.879 14.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.128 -3.371 13.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.180 -2.360 13.523 1.00 0.00 H new ATOM 813 N ILE A 49 0.081 -5.043 6.901 1.00 0.00 N ATOM 814 CA ILE A 49 -0.129 -6.016 5.843 1.00 0.00 C ATOM 815 C ILE A 49 1.194 -6.687 5.531 1.00 0.00 C ATOM 816 O ILE A 49 1.286 -7.914 5.490 1.00 0.00 O ATOM 817 CB ILE A 49 -0.674 -5.332 4.563 1.00 0.00 C ATOM 818 CG1 ILE A 49 -2.075 -4.778 4.820 1.00 0.00 C ATOM 819 CG2 ILE A 49 -0.761 -6.354 3.421 1.00 0.00 C ATOM 820 CD1 ILE A 49 -2.532 -3.942 3.617 1.00 0.00 C ATOM 0 H ILE A 49 -0.115 -4.076 6.644 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.861 -6.751 6.176 1.00 0.00 H new ATOM 0 HB ILE A 49 0.003 -4.522 4.291 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.774 -5.597 4.992 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.074 -4.165 5.721 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.145 -5.866 2.525 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.231 -6.758 3.218 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.431 -7.164 3.708 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.531 -3.549 3.805 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.840 -3.114 3.465 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.550 -4.568 2.725 1.00 0.00 H new ATOM 832 N ALA A 50 2.230 -5.880 5.407 1.00 0.00 N ATOM 833 CA ALA A 50 3.559 -6.397 5.132 1.00 0.00 C ATOM 834 C ALA A 50 3.975 -7.393 6.200 1.00 0.00 C ATOM 835 O ALA A 50 4.405 -8.509 5.884 1.00 0.00 O ATOM 836 CB ALA A 50 4.565 -5.244 5.048 1.00 0.00 C ATOM 0 H ALA A 50 2.179 -4.865 5.492 1.00 0.00 H new ATOM 0 HA ALA A 50 3.541 -6.915 4.173 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.558 -5.642 4.842 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.273 -4.564 4.248 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.580 -4.705 5.995 1.00 0.00 H new ATOM 842 N TYR A 51 3.839 -7.007 7.462 1.00 0.00 N ATOM 843 CA TYR A 51 4.181 -7.919 8.549 1.00 0.00 C ATOM 844 C TYR A 51 3.291 -9.154 8.572 1.00 0.00 C ATOM 845 O TYR A 51 3.787 -10.276 8.589 1.00 0.00 O ATOM 846 CB TYR A 51 4.141 -7.224 9.909 1.00 0.00 C ATOM 847 CG TYR A 51 4.373 -8.259 10.985 1.00 0.00 C ATOM 848 CD1 TYR A 51 5.660 -8.774 11.200 1.00 0.00 C ATOM 849 CD2 TYR A 51 3.296 -8.724 11.748 1.00 0.00 C ATOM 850 CE1 TYR A 51 5.865 -9.746 12.183 1.00 0.00 C ATOM 851 CE2 TYR A 51 3.502 -9.699 12.728 1.00 0.00 C ATOM 852 CZ TYR A 51 4.788 -10.209 12.947 1.00 0.00 C ATOM 853 OH TYR A 51 4.995 -11.168 13.914 1.00 0.00 O ATOM 0 H TYR A 51 3.502 -6.090 7.756 1.00 0.00 H new ATOM 0 HA TYR A 51 5.203 -8.244 8.355 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.904 -6.448 9.960 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.178 -6.735 10.056 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.491 -8.420 10.607 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.305 -8.329 11.579 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.856 -10.140 12.353 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.670 -10.059 13.316 1.00 0.00 H new ATOM 0 HH TYR A 51 4.145 -11.378 14.354 1.00 0.00 H new ATOM 863 N TYR A 52 1.980 -8.960 8.556 1.00 0.00 N ATOM 864 CA TYR A 52 1.079 -10.107 8.602 1.00 0.00 C ATOM 865 C TYR A 52 1.297 -10.986 7.398 1.00 0.00 C ATOM 866 O TYR A 52 1.459 -12.208 7.520 1.00 0.00 O ATOM 867 CB TYR A 52 -0.394 -9.678 8.711 1.00 0.00 C ATOM 868 CG TYR A 52 -0.721 -9.346 10.154 1.00 0.00 C ATOM 869 CD1 TYR A 52 -0.921 -10.380 11.078 1.00 0.00 C ATOM 870 CD2 TYR A 52 -0.824 -8.016 10.572 1.00 0.00 C ATOM 871 CE1 TYR A 52 -1.222 -10.083 12.406 1.00 0.00 C ATOM 872 CE2 TYR A 52 -1.124 -7.721 11.903 1.00 0.00 C ATOM 873 CZ TYR A 52 -1.324 -8.755 12.816 1.00 0.00 C ATOM 874 OH TYR A 52 -1.620 -8.464 14.127 1.00 0.00 O ATOM 0 H TYR A 52 1.525 -8.048 8.513 1.00 0.00 H new ATOM 0 HA TYR A 52 1.311 -10.677 9.502 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.579 -8.811 8.077 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.044 -10.478 8.355 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.842 -11.409 10.761 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.671 -7.215 9.864 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.376 -10.881 13.117 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.201 -6.693 12.225 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.653 -7.492 14.247 1.00 0.00 H new ATOM 884 N LEU A 53 1.420 -10.354 6.249 1.00 0.00 N ATOM 885 CA LEU A 53 1.742 -11.061 5.035 1.00 0.00 C ATOM 886 C LEU A 53 3.136 -11.677 5.183 1.00 0.00 C ATOM 887 O LEU A 53 3.429 -12.732 4.615 1.00 0.00 O ATOM 888 CB LEU A 53 1.671 -10.105 3.818 1.00 0.00 C ATOM 889 CG LEU A 53 1.355 -10.878 2.518 1.00 0.00 C ATOM 890 CD1 LEU A 53 2.371 -11.979 2.291 1.00 0.00 C ATOM 891 CD2 LEU A 53 -0.043 -11.502 2.613 1.00 0.00 C ATOM 0 H LEU A 53 1.300 -9.348 6.134 1.00 0.00 H new ATOM 0 HA LEU A 53 1.018 -11.857 4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.905 -9.349 3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.619 -9.579 3.710 1.00 0.00 H new ATOM 0 HG LEU A 53 1.395 -10.177 1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.131 -12.512 1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.367 -11.544 2.209 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.347 -12.675 3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.262 -12.046 1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.078 -12.189 3.459 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.784 -10.715 2.754 1.00 0.00 H new ATOM 903 N ASN A 54 4.016 -10.959 5.892 1.00 0.00 N ATOM 904 CA ASN A 54 5.424 -11.346 6.043 1.00 0.00 C ATOM 905 C ASN A 54 6.143 -11.120 4.735 1.00 0.00 C ATOM 906 O ASN A 54 6.525 -12.068 4.036 1.00 0.00 O ATOM 907 CB ASN A 54 5.585 -12.803 6.521 1.00 0.00 C ATOM 908 CG ASN A 54 5.938 -12.857 8.005 1.00 0.00 C ATOM 909 OD1 ASN A 54 6.815 -13.628 8.405 1.00 0.00 O ATOM 910 ND2 ASN A 54 5.321 -12.096 8.845 1.00 0.00 N ATOM 0 H ASN A 54 3.772 -10.095 6.376 1.00 0.00 H new ATOM 0 HA ASN A 54 5.869 -10.721 6.818 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.660 -13.352 6.344 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.365 -13.296 5.940 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.559 -12.133 9.836 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.596 -11.458 8.518 1.00 0.00 H new ATOM 917 N THR A 55 6.157 -9.873 4.322 1.00 0.00 N ATOM 918 CA THR A 55 6.673 -9.490 3.028 1.00 0.00 C ATOM 919 C THR A 55 6.988 -7.997 3.042 1.00 0.00 C ATOM 920 O THR A 55 6.367 -7.244 3.792 1.00 0.00 O ATOM 921 CB THR A 55 5.602 -9.830 1.971 1.00 0.00 C ATOM 922 OG1 THR A 55 5.525 -11.247 1.830 1.00 0.00 O ATOM 923 CG2 THR A 55 5.914 -9.193 0.613 1.00 0.00 C ATOM 0 H THR A 55 5.809 -9.092 4.878 1.00 0.00 H new ATOM 0 HA THR A 55 7.592 -10.026 2.789 1.00 0.00 H new ATOM 0 HB THR A 55 4.648 -9.426 2.310 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.187 -11.670 2.415 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.134 -9.458 -0.101 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.954 -8.109 0.720 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.876 -9.558 0.252 1.00 0.00 H new ATOM 931 N PRO A 56 7.946 -7.552 2.262 1.00 0.00 N ATOM 932 CA PRO A 56 8.312 -6.110 2.205 1.00 0.00 C ATOM 933 C PRO A 56 7.126 -5.263 1.787 1.00 0.00 C ATOM 934 O PRO A 56 6.344 -5.658 0.918 1.00 0.00 O ATOM 935 CB PRO A 56 9.398 -6.054 1.121 1.00 0.00 C ATOM 936 CG PRO A 56 9.953 -7.438 1.061 1.00 0.00 C ATOM 937 CD PRO A 56 8.783 -8.366 1.359 1.00 0.00 C ATOM 0 HA PRO A 56 8.641 -5.727 3.171 1.00 0.00 H new ATOM 0 HB2 PRO A 56 8.981 -5.753 0.160 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.172 -5.329 1.374 1.00 0.00 H new ATOM 0 HG2 PRO A 56 10.378 -7.647 0.079 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.753 -7.571 1.789 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.247 -8.646 0.452 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.110 -9.291 1.834 1.00 0.00 H new ATOM 945 N LEU A 57 7.043 -4.073 2.342 1.00 0.00 N ATOM 946 CA LEU A 57 5.987 -3.141 1.989 1.00 0.00 C ATOM 947 C LEU A 57 6.097 -2.847 0.504 1.00 0.00 C ATOM 948 O LEU A 57 5.112 -2.845 -0.233 1.00 0.00 O ATOM 949 CB LEU A 57 6.187 -1.840 2.781 1.00 0.00 C ATOM 950 CG LEU A 57 4.870 -1.047 2.913 1.00 0.00 C ATOM 951 CD1 LEU A 57 4.184 -0.899 1.557 1.00 0.00 C ATOM 952 CD2 LEU A 57 3.933 -1.768 3.871 1.00 0.00 C ATOM 0 H LEU A 57 7.696 -3.724 3.043 1.00 0.00 H new ATOM 0 HA LEU A 57 5.008 -3.561 2.220 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.573 -2.073 3.773 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.936 -1.223 2.285 1.00 0.00 H new ATOM 0 HG LEU A 57 5.106 -0.054 3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.258 -0.336 1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.844 -0.369 0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.959 -1.886 1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.004 -1.206 3.963 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.718 -2.765 3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.406 -1.850 4.850 1.00 0.00 H new ATOM 964 N GLU A 58 7.317 -2.660 0.075 1.00 0.00 N ATOM 965 CA GLU A 58 7.626 -2.365 -1.295 1.00 0.00 C ATOM 966 C GLU A 58 7.142 -3.477 -2.219 1.00 0.00 C ATOM 967 O GLU A 58 6.755 -3.212 -3.370 1.00 0.00 O ATOM 968 CB GLU A 58 9.146 -2.169 -1.436 1.00 0.00 C ATOM 969 CG GLU A 58 9.578 -0.935 -0.618 1.00 0.00 C ATOM 970 CD GLU A 58 9.757 -1.262 0.865 1.00 0.00 C ATOM 971 OE1 GLU A 58 9.471 -2.371 1.271 1.00 0.00 O ATOM 972 OE2 GLU A 58 10.185 -0.390 1.576 1.00 0.00 O ATOM 0 H GLU A 58 8.137 -2.710 0.680 1.00 0.00 H new ATOM 0 HA GLU A 58 7.111 -1.450 -1.586 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.673 -3.056 -1.084 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.412 -2.036 -2.485 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.514 -0.545 -1.018 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.832 -0.148 -0.728 1.00 0.00 H new ATOM 979 N ASP A 59 7.214 -4.717 -1.747 1.00 0.00 N ATOM 980 CA ASP A 59 6.783 -5.854 -2.564 1.00 0.00 C ATOM 981 C ASP A 59 5.293 -5.769 -2.788 1.00 0.00 C ATOM 982 O ASP A 59 4.802 -6.065 -3.873 1.00 0.00 O ATOM 983 CB ASP A 59 7.110 -7.196 -1.881 1.00 0.00 C ATOM 984 CG ASP A 59 7.468 -8.259 -2.904 1.00 0.00 C ATOM 985 OD1 ASP A 59 8.098 -7.929 -3.887 1.00 0.00 O ATOM 986 OD2 ASP A 59 7.133 -9.403 -2.684 1.00 0.00 O ATOM 0 H ASP A 59 7.560 -4.962 -0.819 1.00 0.00 H new ATOM 0 HA ASP A 59 7.318 -5.811 -3.513 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.940 -7.061 -1.187 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.253 -7.527 -1.294 1.00 0.00 H new ATOM 991 N ILE A 60 4.579 -5.448 -1.723 1.00 0.00 N ATOM 992 CA ILE A 60 3.122 -5.431 -1.745 1.00 0.00 C ATOM 993 C ILE A 60 2.568 -4.102 -2.255 1.00 0.00 C ATOM 994 O ILE A 60 1.616 -4.083 -3.051 1.00 0.00 O ATOM 995 CB ILE A 60 2.583 -5.770 -0.347 1.00 0.00 C ATOM 996 CG1 ILE A 60 3.137 -4.777 0.678 1.00 0.00 C ATOM 997 CG2 ILE A 60 3.019 -7.186 0.049 1.00 0.00 C ATOM 998 CD1 ILE A 60 2.527 -5.063 2.045 1.00 0.00 C ATOM 0 H ILE A 60 4.987 -5.193 -0.823 1.00 0.00 H new ATOM 0 HA ILE A 60 2.781 -6.190 -2.449 1.00 0.00 H new ATOM 0 HB ILE A 60 1.495 -5.711 -0.366 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.223 -4.858 0.728 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.907 -3.756 0.372 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.634 -7.421 1.041 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.626 -7.903 -0.672 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.108 -7.242 0.060 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.922 -4.356 2.775 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.443 -4.960 1.989 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.779 -6.078 2.351 1.00 0.00 H new ATOM 1010 N PHE A 61 3.182 -3.004 -1.842 1.00 0.00 N ATOM 1011 CA PHE A 61 2.792 -1.687 -2.330 1.00 0.00 C ATOM 1012 C PHE A 61 4.022 -0.945 -2.813 1.00 0.00 C ATOM 1013 O PHE A 61 5.023 -0.858 -2.093 1.00 0.00 O ATOM 1014 CB PHE A 61 2.059 -0.884 -1.232 1.00 0.00 C ATOM 1015 CG PHE A 61 0.813 -1.645 -0.813 1.00 0.00 C ATOM 1016 CD1 PHE A 61 -0.322 -1.618 -1.620 1.00 0.00 C ATOM 1017 CD2 PHE A 61 0.810 -2.392 0.368 1.00 0.00 C ATOM 1018 CE1 PHE A 61 -1.467 -2.337 -1.251 1.00 0.00 C ATOM 1019 CE2 PHE A 61 -0.330 -3.114 0.738 1.00 0.00 C ATOM 1020 CZ PHE A 61 -1.470 -3.087 -0.073 1.00 0.00 C ATOM 0 H PHE A 61 3.951 -2.997 -1.172 1.00 0.00 H new ATOM 0 HA PHE A 61 2.099 -1.808 -3.163 1.00 0.00 H new ATOM 0 HB2 PHE A 61 2.715 -0.733 -0.374 1.00 0.00 H new ATOM 0 HB3 PHE A 61 1.789 0.104 -1.605 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.320 -1.041 -2.533 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.689 -2.412 0.996 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.346 -2.311 -1.877 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.330 -3.692 1.650 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.350 -3.645 0.211 1.00 0.00 H new