USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 599 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 224 ASN : amide:sc= -1.41! C(o=-1.5!,f=-1.8!) USER MOD Set 1.2: A 232 THR OG1 : rot 180:sc= -0.124 USER MOD Set 2.1: A 194 HIS : no HD1:sc= -2 X(o=-1.8,f=-1.5) USER MOD Set 2.2: A 197 TYR OH : rot 66:sc= 0.212 USER MOD Set 3.1: A 182 HIS : no HD1:sc= -0.0609 X(o=-0.061,f=-0.22) USER MOD Set 3.2: A 186 MET CE :methyl -145:sc= 0 (180deg=0) USER MOD Single : A 180 LYS NZ :NH3+ -134:sc= 0.109 (180deg=0) USER MOD Single : A 181 GLN : amide:sc= -1.6 K(o=-1.6,f=-0.49) USER MOD Single : A 189 SER OG : rot -38:sc= 0.473 USER MOD Single : A 193 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 195 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.16) USER MOD Single : A 196 TYR OH : rot 180:sc= 0 USER MOD Single : A 198 ASN : amide:sc= -3.9! C(o=-3.9!,f=-16!) USER MOD Single : A 200 LYS NZ :NH3+ -152:sc= -0.111 (180deg=-0.844) USER MOD Single : A 206 THR OG1 : rot 43:sc= 0.585 USER MOD Single : A 207 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 208 GLN : amide:sc= -4.81! C(o=-4.8!,f=-5.2!) USER MOD Single : A 212 TYR OH : rot 62:sc= 0.672 USER MOD Single : A 214 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 223 GLN : amide:sc= -12.9! C(o=-13!,f=-1.9!) USER MOD Single : A 226 LYS NZ :NH3+ -122:sc= -1.23 (180deg=-3.61!) USER MOD Single : A 229 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 230 LYS NZ :NH3+ 133:sc= -4.33! (180deg=-6.78!) USER MOD Single : A 231 ASN : amide:sc= -0.218 X(o=-0.22,f=-0.099) USER MOD Single : A 236 LYS NZ :NH3+ 165:sc= -1.77 (180deg=-2.03) USER MOD Single : A 239 TYR OH : rot -20:sc= -1! USER MOD Single : A 241 HIS : no HD1:sc= -0.268 X(o=-0.27,f=0) USER MOD Single : A 242 TYR OH : rot 136:sc= 0.822 USER MOD Single : A 243 GLN : amide:sc= -4.91! C(o=-4.9!,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 175 3.922 -13.824 -10.138 1.00 0.00 N ATOM 2 CA ARG A 175 3.524 -12.998 -11.312 1.00 0.00 C ATOM 3 C ARG A 175 3.735 -11.517 -10.989 1.00 0.00 C ATOM 4 O ARG A 175 4.838 -11.082 -10.725 1.00 0.00 O ATOM 5 CB ARG A 175 2.049 -13.258 -11.647 1.00 0.00 C ATOM 6 CG ARG A 175 1.196 -13.238 -10.363 1.00 0.00 C ATOM 7 CD ARG A 175 -0.250 -12.878 -10.719 1.00 0.00 C ATOM 8 NE ARG A 175 -1.138 -13.146 -9.556 1.00 0.00 N ATOM 9 CZ ARG A 175 -2.350 -12.670 -9.551 1.00 0.00 C ATOM 10 NH1 ARG A 175 -2.771 -11.964 -10.566 1.00 0.00 N ATOM 11 NH2 ARG A 175 -3.144 -12.908 -8.545 1.00 0.00 N ATOM 0 HA ARG A 175 4.137 -13.267 -12.173 1.00 0.00 H new ATOM 0 HB2 ARG A 175 1.688 -12.501 -12.343 1.00 0.00 H new ATOM 0 HB3 ARG A 175 1.947 -14.222 -12.144 1.00 0.00 H new ATOM 0 HG2 ARG A 175 1.230 -14.212 -9.875 1.00 0.00 H new ATOM 0 HG3 ARG A 175 1.600 -12.513 -9.656 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -0.314 -11.827 -11.002 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -0.578 -13.460 -11.580 1.00 0.00 H new ATOM 0 HE ARG A 175 -0.800 -13.699 -8.768 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -2.151 -11.788 -11.357 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -3.719 -11.589 -10.568 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -2.817 -13.469 -7.758 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -4.093 -12.534 -8.544 1.00 0.00 H new ATOM 25 N ALA A 176 2.685 -10.742 -10.999 1.00 0.00 N ATOM 26 CA ALA A 176 2.822 -9.292 -10.685 1.00 0.00 C ATOM 27 C ALA A 176 2.808 -9.108 -9.167 1.00 0.00 C ATOM 28 O ALA A 176 2.674 -8.007 -8.670 1.00 0.00 O ATOM 29 CB ALA A 176 1.649 -8.520 -11.296 1.00 0.00 C ATOM 0 H ALA A 176 1.737 -11.051 -11.212 1.00 0.00 H new ATOM 0 HA ALA A 176 3.758 -8.916 -11.098 1.00 0.00 H new ATOM 0 HB1 ALA A 176 1.751 -7.460 -11.065 1.00 0.00 H new ATOM 0 HB2 ALA A 176 1.647 -8.657 -12.377 1.00 0.00 H new ATOM 0 HB3 ALA A 176 0.713 -8.893 -10.881 1.00 0.00 H new ATOM 35 N ARG A 177 2.935 -10.175 -8.422 1.00 0.00 N ATOM 36 CA ARG A 177 2.921 -10.040 -6.939 1.00 0.00 C ATOM 37 C ARG A 177 4.243 -9.428 -6.480 1.00 0.00 C ATOM 38 O ARG A 177 4.370 -8.965 -5.366 1.00 0.00 O ATOM 39 CB ARG A 177 2.722 -11.410 -6.280 1.00 0.00 C ATOM 40 CG ARG A 177 2.739 -11.248 -4.752 1.00 0.00 C ATOM 41 CD ARG A 177 2.175 -12.513 -4.093 1.00 0.00 C ATOM 42 NE ARG A 177 2.176 -12.357 -2.599 1.00 0.00 N ATOM 43 CZ ARG A 177 3.272 -12.099 -1.941 1.00 0.00 C ATOM 44 NH1 ARG A 177 4.430 -12.185 -2.534 1.00 0.00 N ATOM 45 NH2 ARG A 177 3.216 -11.816 -0.666 1.00 0.00 N ATOM 0 H ARG A 177 3.047 -11.126 -8.774 1.00 0.00 H new ATOM 0 HA ARG A 177 2.095 -9.393 -6.645 1.00 0.00 H new ATOM 0 HB2 ARG A 177 1.776 -11.846 -6.600 1.00 0.00 H new ATOM 0 HB3 ARG A 177 3.510 -12.095 -6.593 1.00 0.00 H new ATOM 0 HG2 ARG A 177 3.757 -11.069 -4.407 1.00 0.00 H new ATOM 0 HG3 ARG A 177 2.147 -10.380 -4.462 1.00 0.00 H new ATOM 0 HD2 ARG A 177 1.161 -12.696 -4.447 1.00 0.00 H new ATOM 0 HD3 ARG A 177 2.773 -13.379 -4.377 1.00 0.00 H new ATOM 0 HE ARG A 177 1.299 -12.455 -2.087 1.00 0.00 H new ATOM 0 HH11 ARG A 177 4.481 -12.455 -3.516 1.00 0.00 H new ATOM 0 HH12 ARG A 177 5.285 -11.982 -2.016 1.00 0.00 H new ATOM 0 HH21 ARG A 177 2.316 -11.797 -0.187 1.00 0.00 H new ATOM 0 HH22 ARG A 177 4.073 -11.614 -0.150 1.00 0.00 H new ATOM 59 N ALA A 178 5.226 -9.395 -7.338 1.00 0.00 N ATOM 60 CA ALA A 178 6.517 -8.783 -6.935 1.00 0.00 C ATOM 61 C ALA A 178 6.261 -7.311 -6.667 1.00 0.00 C ATOM 62 O ALA A 178 6.622 -6.775 -5.638 1.00 0.00 O ATOM 63 CB ALA A 178 7.533 -8.900 -8.071 1.00 0.00 C ATOM 0 H ALA A 178 5.190 -9.762 -8.289 1.00 0.00 H new ATOM 0 HA ALA A 178 6.910 -9.289 -6.053 1.00 0.00 H new ATOM 0 HB1 ALA A 178 8.476 -8.448 -7.764 1.00 0.00 H new ATOM 0 HB2 ALA A 178 7.695 -9.952 -8.307 1.00 0.00 H new ATOM 0 HB3 ALA A 178 7.154 -8.384 -8.953 1.00 0.00 H new ATOM 69 N ASP A 179 5.617 -6.660 -7.591 1.00 0.00 N ATOM 70 CA ASP A 179 5.305 -5.227 -7.405 1.00 0.00 C ATOM 71 C ASP A 179 4.398 -5.080 -6.188 1.00 0.00 C ATOM 72 O ASP A 179 4.539 -4.180 -5.396 1.00 0.00 O ATOM 73 CB ASP A 179 4.575 -4.700 -8.639 1.00 0.00 C ATOM 74 CG ASP A 179 5.552 -4.620 -9.815 1.00 0.00 C ATOM 75 OD1 ASP A 179 6.745 -4.606 -9.567 1.00 0.00 O ATOM 76 OD2 ASP A 179 5.088 -4.575 -10.942 1.00 0.00 O ATOM 0 H ASP A 179 5.293 -7.064 -8.470 1.00 0.00 H new ATOM 0 HA ASP A 179 6.226 -4.663 -7.260 1.00 0.00 H new ATOM 0 HB2 ASP A 179 3.741 -5.356 -8.889 1.00 0.00 H new ATOM 0 HB3 ASP A 179 4.155 -3.715 -8.433 1.00 0.00 H new ATOM 81 N LYS A 180 3.461 -5.971 -6.040 1.00 0.00 N ATOM 82 CA LYS A 180 2.530 -5.888 -4.885 1.00 0.00 C ATOM 83 C LYS A 180 3.312 -5.737 -3.581 1.00 0.00 C ATOM 84 O LYS A 180 3.154 -4.772 -2.864 1.00 0.00 O ATOM 85 CB LYS A 180 1.692 -7.169 -4.832 1.00 0.00 C ATOM 86 CG LYS A 180 0.733 -7.112 -3.645 1.00 0.00 C ATOM 87 CD LYS A 180 -0.241 -8.291 -3.724 1.00 0.00 C ATOM 88 CE LYS A 180 -1.338 -8.124 -2.671 1.00 0.00 C ATOM 89 NZ LYS A 180 -2.273 -9.279 -2.752 1.00 0.00 N ATOM 0 H LYS A 180 3.300 -6.756 -6.671 1.00 0.00 H new ATOM 0 HA LYS A 180 1.883 -5.019 -5.006 1.00 0.00 H new ATOM 0 HB2 LYS A 180 1.131 -7.286 -5.759 1.00 0.00 H new ATOM 0 HB3 LYS A 180 2.344 -8.038 -4.743 1.00 0.00 H new ATOM 0 HG2 LYS A 180 1.291 -7.149 -2.710 1.00 0.00 H new ATOM 0 HG3 LYS A 180 0.184 -6.171 -3.651 1.00 0.00 H new ATOM 0 HD2 LYS A 180 -0.683 -8.344 -4.719 1.00 0.00 H new ATOM 0 HD3 LYS A 180 0.293 -9.228 -3.562 1.00 0.00 H new ATOM 0 HE2 LYS A 180 -0.898 -8.066 -1.676 1.00 0.00 H new ATOM 0 HE3 LYS A 180 -1.878 -7.191 -2.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 -3.254 -8.934 -2.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 -2.109 -9.797 -3.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 -2.110 -9.915 -1.945 1.00 0.00 H new ATOM 103 N GLN A 181 4.151 -6.680 -3.266 1.00 0.00 N ATOM 104 CA GLN A 181 4.932 -6.582 -2.002 1.00 0.00 C ATOM 105 C GLN A 181 5.827 -5.348 -2.030 1.00 0.00 C ATOM 106 O GLN A 181 5.926 -4.614 -1.065 1.00 0.00 O ATOM 107 CB GLN A 181 5.786 -7.841 -1.835 1.00 0.00 C ATOM 108 CG GLN A 181 6.697 -7.709 -0.608 1.00 0.00 C ATOM 109 CD GLN A 181 5.880 -7.305 0.621 1.00 0.00 C ATOM 110 OE1 GLN A 181 6.359 -6.580 1.471 1.00 0.00 O ATOM 111 NE2 GLN A 181 4.659 -7.739 0.749 1.00 0.00 N ATOM 0 H GLN A 181 4.331 -7.513 -3.826 1.00 0.00 H new ATOM 0 HA GLN A 181 4.244 -6.494 -1.161 1.00 0.00 H new ATOM 0 HB2 GLN A 181 5.142 -8.713 -1.726 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.389 -8.000 -2.729 1.00 0.00 H new ATOM 0 HG2 GLN A 181 7.205 -8.655 -0.420 1.00 0.00 H new ATOM 0 HG3 GLN A 181 7.470 -6.965 -0.799 1.00 0.00 H new ATOM 0 HE21 GLN A 181 4.257 -8.347 0.036 1.00 0.00 H new ATOM 0 HE22 GLN A 181 4.105 -7.471 1.562 1.00 0.00 H new ATOM 120 N HIS A 182 6.479 -5.118 -3.127 1.00 0.00 N ATOM 121 CA HIS A 182 7.368 -3.943 -3.236 1.00 0.00 C ATOM 122 C HIS A 182 6.526 -2.677 -3.151 1.00 0.00 C ATOM 123 O HIS A 182 6.940 -1.673 -2.605 1.00 0.00 O ATOM 124 CB HIS A 182 8.070 -4.011 -4.581 1.00 0.00 C ATOM 125 CG HIS A 182 9.024 -2.872 -4.716 1.00 0.00 C ATOM 126 ND1 HIS A 182 9.725 -2.354 -3.641 1.00 0.00 N ATOM 127 CD2 HIS A 182 9.399 -2.140 -5.805 1.00 0.00 C ATOM 128 CE1 HIS A 182 10.483 -1.344 -4.107 1.00 0.00 C ATOM 129 NE2 HIS A 182 10.322 -1.171 -5.423 1.00 0.00 N ATOM 0 H HIS A 182 6.432 -5.702 -3.962 1.00 0.00 H new ATOM 0 HA HIS A 182 8.104 -3.934 -2.432 1.00 0.00 H new ATOM 0 HB2 HIS A 182 8.604 -4.957 -4.674 1.00 0.00 H new ATOM 0 HB3 HIS A 182 7.336 -3.979 -5.386 1.00 0.00 H new ATOM 0 HD2 HIS A 182 9.035 -2.290 -6.811 1.00 0.00 H new ATOM 0 HE1 HIS A 182 11.141 -0.747 -3.493 1.00 0.00 H new ATOM 0 HE2 HIS A 182 10.777 -0.479 -6.018 1.00 0.00 H new ATOM 137 N VAL A 183 5.343 -2.724 -3.687 1.00 0.00 N ATOM 138 CA VAL A 183 4.455 -1.537 -3.649 1.00 0.00 C ATOM 139 C VAL A 183 4.021 -1.283 -2.204 1.00 0.00 C ATOM 140 O VAL A 183 3.966 -0.152 -1.757 1.00 0.00 O ATOM 141 CB VAL A 183 3.227 -1.807 -4.532 1.00 0.00 C ATOM 142 CG1 VAL A 183 2.164 -0.728 -4.287 1.00 0.00 C ATOM 143 CG2 VAL A 183 3.639 -1.809 -6.029 1.00 0.00 C ATOM 0 H VAL A 183 4.951 -3.542 -4.154 1.00 0.00 H new ATOM 0 HA VAL A 183 4.980 -0.658 -4.022 1.00 0.00 H new ATOM 0 HB VAL A 183 2.814 -2.783 -4.277 1.00 0.00 H new ATOM 0 HG11 VAL A 183 1.295 -0.924 -4.915 1.00 0.00 H new ATOM 0 HG12 VAL A 183 1.865 -0.743 -3.239 1.00 0.00 H new ATOM 0 HG13 VAL A 183 2.576 0.251 -4.532 1.00 0.00 H new ATOM 0 HG21 VAL A 183 2.762 -2.001 -6.647 1.00 0.00 H new ATOM 0 HG22 VAL A 183 4.062 -0.839 -6.291 1.00 0.00 H new ATOM 0 HG23 VAL A 183 4.382 -2.588 -6.201 1.00 0.00 H new ATOM 153 N LEU A 184 3.714 -2.314 -1.461 1.00 0.00 N ATOM 154 CA LEU A 184 3.293 -2.094 -0.054 1.00 0.00 C ATOM 155 C LEU A 184 4.408 -1.362 0.682 1.00 0.00 C ATOM 156 O LEU A 184 4.168 -0.433 1.420 1.00 0.00 O ATOM 157 CB LEU A 184 3.026 -3.439 0.627 1.00 0.00 C ATOM 158 CG LEU A 184 1.761 -4.091 0.050 1.00 0.00 C ATOM 159 CD1 LEU A 184 1.606 -5.485 0.659 1.00 0.00 C ATOM 160 CD2 LEU A 184 0.518 -3.242 0.379 1.00 0.00 C ATOM 0 H LEU A 184 3.737 -3.287 -1.767 1.00 0.00 H new ATOM 0 HA LEU A 184 2.379 -1.500 -0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 184 3.880 -4.101 0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 184 2.910 -3.293 1.701 1.00 0.00 H new ATOM 0 HG LEU A 184 1.854 -4.161 -1.034 1.00 0.00 H new ATOM 0 HD11 LEU A 184 0.711 -5.960 0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 184 2.479 -6.089 0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 184 1.518 -5.401 1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -0.369 -3.719 -0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 184 0.411 -3.158 1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 184 0.632 -2.248 -0.053 1.00 0.00 H new ATOM 172 N ASP A 185 5.628 -1.756 0.474 1.00 0.00 N ATOM 173 CA ASP A 185 6.745 -1.059 1.164 1.00 0.00 C ATOM 174 C ASP A 185 6.640 0.440 0.883 1.00 0.00 C ATOM 175 O ASP A 185 6.815 1.261 1.765 1.00 0.00 O ATOM 176 CB ASP A 185 8.075 -1.589 0.634 1.00 0.00 C ATOM 177 CG ASP A 185 8.288 -3.017 1.138 1.00 0.00 C ATOM 178 OD1 ASP A 185 7.707 -3.355 2.156 1.00 0.00 O ATOM 179 OD2 ASP A 185 9.024 -3.747 0.497 1.00 0.00 O ATOM 0 H ASP A 185 5.901 -2.524 -0.139 1.00 0.00 H new ATOM 0 HA ASP A 185 6.690 -1.237 2.238 1.00 0.00 H new ATOM 0 HB2 ASP A 185 8.078 -1.572 -0.456 1.00 0.00 H new ATOM 0 HB3 ASP A 185 8.893 -0.949 0.965 1.00 0.00 H new ATOM 184 N MET A 186 6.338 0.806 -0.336 1.00 0.00 N ATOM 185 CA MET A 186 6.206 2.253 -0.664 1.00 0.00 C ATOM 186 C MET A 186 5.057 2.840 0.152 1.00 0.00 C ATOM 187 O MET A 186 5.098 3.980 0.572 1.00 0.00 O ATOM 188 CB MET A 186 5.909 2.425 -2.159 1.00 0.00 C ATOM 189 CG MET A 186 7.096 1.918 -2.978 1.00 0.00 C ATOM 190 SD MET A 186 8.526 2.985 -2.687 1.00 0.00 S ATOM 191 CE MET A 186 9.585 2.290 -3.978 1.00 0.00 C ATOM 0 H MET A 186 6.178 0.167 -1.114 1.00 0.00 H new ATOM 0 HA MET A 186 7.136 2.768 -0.425 1.00 0.00 H new ATOM 0 HB2 MET A 186 5.007 1.874 -2.427 1.00 0.00 H new ATOM 0 HB3 MET A 186 5.720 3.475 -2.384 1.00 0.00 H new ATOM 0 HG2 MET A 186 7.332 0.891 -2.699 1.00 0.00 H new ATOM 0 HG3 MET A 186 6.844 1.911 -4.038 1.00 0.00 H new ATOM 0 HE1 MET A 186 10.622 2.299 -3.642 1.00 0.00 H new ATOM 0 HE2 MET A 186 9.280 1.264 -4.186 1.00 0.00 H new ATOM 0 HE3 MET A 186 9.492 2.887 -4.885 1.00 0.00 H new ATOM 201 N LEU A 187 4.025 2.070 0.375 1.00 0.00 N ATOM 202 CA LEU A 187 2.872 2.592 1.161 1.00 0.00 C ATOM 203 C LEU A 187 3.320 2.882 2.589 1.00 0.00 C ATOM 204 O LEU A 187 3.017 3.920 3.141 1.00 0.00 O ATOM 205 CB LEU A 187 1.750 1.547 1.204 1.00 0.00 C ATOM 206 CG LEU A 187 1.227 1.224 -0.202 1.00 0.00 C ATOM 207 CD1 LEU A 187 -0.002 0.317 -0.065 1.00 0.00 C ATOM 208 CD2 LEU A 187 0.835 2.512 -0.944 1.00 0.00 C ATOM 0 H LEU A 187 3.932 1.108 0.049 1.00 0.00 H new ATOM 0 HA LEU A 187 2.508 3.504 0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 187 2.118 0.635 1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 187 0.931 1.916 1.822 1.00 0.00 H new ATOM 0 HG LEU A 187 2.009 0.725 -0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 187 -0.389 0.076 -1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 187 0.280 -0.602 0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 187 -0.772 0.832 0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 187 0.467 2.261 -1.939 1.00 0.00 H new ATOM 0 HD22 LEU A 187 0.053 3.029 -0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 187 1.707 3.160 -1.033 1.00 0.00 H new ATOM 220 N PHE A 188 4.047 1.985 3.197 1.00 0.00 N ATOM 221 CA PHE A 188 4.499 2.254 4.585 1.00 0.00 C ATOM 222 C PHE A 188 5.344 3.519 4.582 1.00 0.00 C ATOM 223 O PHE A 188 5.211 4.365 5.439 1.00 0.00 O ATOM 224 CB PHE A 188 5.311 1.072 5.124 1.00 0.00 C ATOM 225 CG PHE A 188 4.370 -0.067 5.450 1.00 0.00 C ATOM 226 CD1 PHE A 188 3.702 -0.089 6.680 1.00 0.00 C ATOM 227 CD2 PHE A 188 4.150 -1.087 4.519 1.00 0.00 C ATOM 228 CE1 PHE A 188 2.819 -1.132 6.979 1.00 0.00 C ATOM 229 CE2 PHE A 188 3.265 -2.127 4.814 1.00 0.00 C ATOM 230 CZ PHE A 188 2.599 -2.151 6.045 1.00 0.00 C ATOM 0 H PHE A 188 4.342 1.093 2.799 1.00 0.00 H new ATOM 0 HA PHE A 188 3.633 2.388 5.234 1.00 0.00 H new ATOM 0 HB2 PHE A 188 6.046 0.753 4.385 1.00 0.00 H new ATOM 0 HB3 PHE A 188 5.863 1.370 6.015 1.00 0.00 H new ATOM 0 HD1 PHE A 188 3.868 0.700 7.399 1.00 0.00 H new ATOM 0 HD2 PHE A 188 4.665 -1.071 3.570 1.00 0.00 H new ATOM 0 HE1 PHE A 188 2.307 -1.151 7.930 1.00 0.00 H new ATOM 0 HE2 PHE A 188 3.095 -2.912 4.092 1.00 0.00 H new ATOM 0 HZ PHE A 188 1.916 -2.955 6.274 1.00 0.00 H new ATOM 240 N SER A 189 6.199 3.681 3.614 1.00 0.00 N ATOM 241 CA SER A 189 7.012 4.921 3.591 1.00 0.00 C ATOM 242 C SER A 189 6.054 6.108 3.486 1.00 0.00 C ATOM 243 O SER A 189 6.172 7.089 4.200 1.00 0.00 O ATOM 244 CB SER A 189 7.967 4.900 2.393 1.00 0.00 C ATOM 245 OG SER A 189 7.217 4.920 1.184 1.00 0.00 O ATOM 0 H SER A 189 6.367 3.023 2.853 1.00 0.00 H new ATOM 0 HA SER A 189 7.611 5.001 4.498 1.00 0.00 H new ATOM 0 HB2 SER A 189 8.635 5.760 2.433 1.00 0.00 H new ATOM 0 HB3 SER A 189 8.593 4.008 2.430 1.00 0.00 H new ATOM 0 HG SER A 189 6.415 4.367 1.288 1.00 0.00 H new ATOM 251 N ALA A 190 5.076 6.008 2.624 1.00 0.00 N ATOM 252 CA ALA A 190 4.089 7.112 2.489 1.00 0.00 C ATOM 253 C ALA A 190 3.294 7.239 3.786 1.00 0.00 C ATOM 254 O ALA A 190 3.167 8.310 4.342 1.00 0.00 O ATOM 255 CB ALA A 190 3.132 6.810 1.333 1.00 0.00 C ATOM 0 H ALA A 190 4.921 5.209 2.009 1.00 0.00 H new ATOM 0 HA ALA A 190 4.614 8.045 2.287 1.00 0.00 H new ATOM 0 HB1 ALA A 190 2.410 7.621 1.237 1.00 0.00 H new ATOM 0 HB2 ALA A 190 3.699 6.717 0.406 1.00 0.00 H new ATOM 0 HB3 ALA A 190 2.605 5.877 1.531 1.00 0.00 H new ATOM 261 N PHE A 191 2.755 6.152 4.274 1.00 0.00 N ATOM 262 CA PHE A 191 1.954 6.226 5.529 1.00 0.00 C ATOM 263 C PHE A 191 2.846 6.593 6.715 1.00 0.00 C ATOM 264 O PHE A 191 2.389 7.189 7.668 1.00 0.00 O ATOM 265 CB PHE A 191 1.229 4.895 5.780 1.00 0.00 C ATOM 266 CG PHE A 191 -0.015 4.841 4.916 1.00 0.00 C ATOM 267 CD1 PHE A 191 -1.112 5.656 5.226 1.00 0.00 C ATOM 268 CD2 PHE A 191 -0.065 3.997 3.805 1.00 0.00 C ATOM 269 CE1 PHE A 191 -2.257 5.625 4.428 1.00 0.00 C ATOM 270 CE2 PHE A 191 -1.211 3.966 2.998 1.00 0.00 C ATOM 271 CZ PHE A 191 -2.308 4.778 3.312 1.00 0.00 C ATOM 0 H PHE A 191 2.835 5.223 3.860 1.00 0.00 H new ATOM 0 HA PHE A 191 1.203 7.008 5.416 1.00 0.00 H new ATOM 0 HB2 PHE A 191 1.887 4.058 5.546 1.00 0.00 H new ATOM 0 HB3 PHE A 191 0.961 4.805 6.833 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -1.072 6.310 6.085 1.00 0.00 H new ATOM 0 HD2 PHE A 191 0.780 3.368 3.567 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -3.102 6.252 4.670 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -1.248 3.317 2.136 1.00 0.00 H new ATOM 0 HZ PHE A 191 -3.193 4.752 2.694 1.00 0.00 H new ATOM 281 N GLU A 192 4.110 6.285 6.671 1.00 0.00 N ATOM 282 CA GLU A 192 4.981 6.673 7.816 1.00 0.00 C ATOM 283 C GLU A 192 5.100 8.197 7.841 1.00 0.00 C ATOM 284 O GLU A 192 5.438 8.786 8.847 1.00 0.00 O ATOM 285 CB GLU A 192 6.366 6.026 7.673 1.00 0.00 C ATOM 286 CG GLU A 192 6.284 4.552 8.086 1.00 0.00 C ATOM 287 CD GLU A 192 7.502 3.789 7.556 1.00 0.00 C ATOM 288 OE1 GLU A 192 8.352 4.415 6.944 1.00 0.00 O ATOM 289 OE2 GLU A 192 7.558 2.588 7.766 1.00 0.00 O ATOM 0 H GLU A 192 4.573 5.791 5.908 1.00 0.00 H new ATOM 0 HA GLU A 192 4.543 6.324 8.751 1.00 0.00 H new ATOM 0 HB2 GLU A 192 6.713 6.108 6.643 1.00 0.00 H new ATOM 0 HB3 GLU A 192 7.091 6.550 8.296 1.00 0.00 H new ATOM 0 HG2 GLU A 192 6.240 4.472 9.172 1.00 0.00 H new ATOM 0 HG3 GLU A 192 5.368 4.107 7.696 1.00 0.00 H new ATOM 296 N LYS A 193 4.810 8.842 6.738 1.00 0.00 N ATOM 297 CA LYS A 193 4.892 10.338 6.697 1.00 0.00 C ATOM 298 C LYS A 193 3.534 10.956 7.060 1.00 0.00 C ATOM 299 O LYS A 193 3.466 12.032 7.621 1.00 0.00 O ATOM 300 CB LYS A 193 5.279 10.770 5.289 1.00 0.00 C ATOM 301 CG LYS A 193 6.686 10.260 4.981 1.00 0.00 C ATOM 302 CD LYS A 193 7.045 10.593 3.535 1.00 0.00 C ATOM 303 CE LYS A 193 8.373 9.928 3.173 1.00 0.00 C ATOM 304 NZ LYS A 193 8.593 10.032 1.704 1.00 0.00 N ATOM 0 H LYS A 193 4.521 8.400 5.865 1.00 0.00 H new ATOM 0 HA LYS A 193 5.637 10.677 7.416 1.00 0.00 H new ATOM 0 HB2 LYS A 193 4.568 10.373 4.565 1.00 0.00 H new ATOM 0 HB3 LYS A 193 5.246 11.856 5.206 1.00 0.00 H new ATOM 0 HG2 LYS A 193 7.406 10.717 5.660 1.00 0.00 H new ATOM 0 HG3 LYS A 193 6.737 9.183 5.140 1.00 0.00 H new ATOM 0 HD2 LYS A 193 6.258 10.247 2.865 1.00 0.00 H new ATOM 0 HD3 LYS A 193 7.120 11.673 3.407 1.00 0.00 H new ATOM 0 HE2 LYS A 193 9.191 10.408 3.709 1.00 0.00 H new ATOM 0 HE3 LYS A 193 8.363 8.881 3.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 193 9.496 9.580 1.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 193 7.817 9.555 1.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 193 8.620 11.034 1.427 1.00 0.00 H new ATOM 318 N HIS A 194 2.453 10.284 6.760 1.00 0.00 N ATOM 319 CA HIS A 194 1.105 10.832 7.106 1.00 0.00 C ATOM 320 C HIS A 194 0.121 9.675 7.276 1.00 0.00 C ATOM 321 O HIS A 194 0.194 8.672 6.607 1.00 0.00 O ATOM 322 CB HIS A 194 0.616 11.789 6.006 1.00 0.00 C ATOM 323 CG HIS A 194 1.384 13.074 6.092 1.00 0.00 C ATOM 324 ND1 HIS A 194 2.142 13.564 5.040 1.00 0.00 N ATOM 325 CD2 HIS A 194 1.519 13.980 7.107 1.00 0.00 C ATOM 326 CE1 HIS A 194 2.697 14.720 5.446 1.00 0.00 C ATOM 327 NE2 HIS A 194 2.349 15.022 6.701 1.00 0.00 N ATOM 0 H HIS A 194 2.444 9.379 6.290 1.00 0.00 H new ATOM 0 HA HIS A 194 1.173 11.392 8.039 1.00 0.00 H new ATOM 0 HB2 HIS A 194 0.753 11.335 5.025 1.00 0.00 H new ATOM 0 HB3 HIS A 194 -0.451 11.981 6.122 1.00 0.00 H new ATOM 0 HD2 HIS A 194 1.052 13.900 8.078 1.00 0.00 H new ATOM 0 HE1 HIS A 194 3.344 15.330 4.833 1.00 0.00 H new ATOM 0 HE2 HIS A 194 2.630 15.839 7.244 1.00 0.00 H new ATOM 335 N GLN A 195 -0.782 9.799 8.193 1.00 0.00 N ATOM 336 CA GLN A 195 -1.761 8.706 8.439 1.00 0.00 C ATOM 337 C GLN A 195 -2.732 8.543 7.254 1.00 0.00 C ATOM 338 O GLN A 195 -3.288 7.480 7.052 1.00 0.00 O ATOM 339 CB GLN A 195 -2.540 9.038 9.714 1.00 0.00 C ATOM 340 CG GLN A 195 -3.418 7.852 10.128 1.00 0.00 C ATOM 341 CD GLN A 195 -2.545 6.660 10.534 1.00 0.00 C ATOM 342 OE1 GLN A 195 -1.995 6.636 11.618 1.00 0.00 O ATOM 343 NE2 GLN A 195 -2.393 5.662 9.702 1.00 0.00 N ATOM 0 H GLN A 195 -0.890 10.617 8.792 1.00 0.00 H new ATOM 0 HA GLN A 195 -1.225 7.764 8.552 1.00 0.00 H new ATOM 0 HB2 GLN A 195 -1.846 9.283 10.518 1.00 0.00 H new ATOM 0 HB3 GLN A 195 -3.161 9.918 9.549 1.00 0.00 H new ATOM 0 HG2 GLN A 195 -4.062 8.140 10.959 1.00 0.00 H new ATOM 0 HG3 GLN A 195 -4.071 7.569 9.303 1.00 0.00 H new ATOM 0 HE21 GLN A 195 -2.854 5.682 8.792 1.00 0.00 H new ATOM 0 HE22 GLN A 195 -1.813 4.864 9.963 1.00 0.00 H new ATOM 352 N TYR A 196 -2.982 9.596 6.497 1.00 0.00 N ATOM 353 CA TYR A 196 -3.974 9.506 5.357 1.00 0.00 C ATOM 354 C TYR A 196 -3.349 9.838 3.986 1.00 0.00 C ATOM 355 O TYR A 196 -2.480 10.677 3.861 1.00 0.00 O ATOM 356 CB TYR A 196 -5.097 10.503 5.635 1.00 0.00 C ATOM 357 CG TYR A 196 -5.827 10.093 6.887 1.00 0.00 C ATOM 358 CD1 TYR A 196 -6.913 9.214 6.808 1.00 0.00 C ATOM 359 CD2 TYR A 196 -5.418 10.592 8.129 1.00 0.00 C ATOM 360 CE1 TYR A 196 -7.594 8.834 7.968 1.00 0.00 C ATOM 361 CE2 TYR A 196 -6.099 10.211 9.292 1.00 0.00 C ATOM 362 CZ TYR A 196 -7.188 9.333 9.210 1.00 0.00 C ATOM 363 OH TYR A 196 -7.858 8.954 10.357 1.00 0.00 O ATOM 0 H TYR A 196 -2.546 10.510 6.616 1.00 0.00 H new ATOM 0 HA TYR A 196 -4.334 8.478 5.306 1.00 0.00 H new ATOM 0 HB2 TYR A 196 -4.688 11.507 5.751 1.00 0.00 H new ATOM 0 HB3 TYR A 196 -5.787 10.536 4.792 1.00 0.00 H new ATOM 0 HD1 TYR A 196 -7.226 8.828 5.849 1.00 0.00 H new ATOM 0 HD2 TYR A 196 -4.579 11.269 8.190 1.00 0.00 H new ATOM 0 HE1 TYR A 196 -8.432 8.156 7.905 1.00 0.00 H new ATOM 0 HE2 TYR A 196 -5.785 10.594 10.252 1.00 0.00 H new ATOM 0 HH TYR A 196 -7.449 9.389 11.134 1.00 0.00 H new ATOM 373 N TYR A 197 -3.839 9.182 2.952 1.00 0.00 N ATOM 374 CA TYR A 197 -3.354 9.425 1.550 1.00 0.00 C ATOM 375 C TYR A 197 -4.504 9.197 0.557 1.00 0.00 C ATOM 376 O TYR A 197 -5.179 8.187 0.599 1.00 0.00 O ATOM 377 CB TYR A 197 -2.204 8.461 1.205 1.00 0.00 C ATOM 378 CG TYR A 197 -0.895 8.998 1.725 1.00 0.00 C ATOM 379 CD1 TYR A 197 -0.512 8.780 3.047 1.00 0.00 C ATOM 380 CD2 TYR A 197 -0.063 9.717 0.861 1.00 0.00 C ATOM 381 CE1 TYR A 197 0.708 9.283 3.504 1.00 0.00 C ATOM 382 CE2 TYR A 197 1.156 10.220 1.321 1.00 0.00 C ATOM 383 CZ TYR A 197 1.542 10.003 2.643 1.00 0.00 C ATOM 384 OH TYR A 197 2.747 10.500 3.099 1.00 0.00 O ATOM 0 H TYR A 197 -4.570 8.474 3.025 1.00 0.00 H new ATOM 0 HA TYR A 197 -2.998 10.453 1.482 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.400 7.480 1.639 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -2.146 8.326 0.125 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -1.155 8.225 3.714 1.00 0.00 H new ATOM 0 HD2 TYR A 197 -0.363 9.883 -0.163 1.00 0.00 H new ATOM 0 HE1 TYR A 197 1.009 9.115 4.528 1.00 0.00 H new ATOM 0 HE2 TYR A 197 1.798 10.776 0.654 1.00 0.00 H new ATOM 0 HH TYR A 197 3.346 9.756 3.317 1.00 0.00 H new ATOM 394 N ASN A 198 -4.718 10.114 -0.357 1.00 0.00 N ATOM 395 CA ASN A 198 -5.807 9.928 -1.366 1.00 0.00 C ATOM 396 C ASN A 198 -5.227 9.213 -2.596 1.00 0.00 C ATOM 397 O ASN A 198 -4.027 9.138 -2.772 1.00 0.00 O ATOM 398 CB ASN A 198 -6.390 11.292 -1.759 1.00 0.00 C ATOM 399 CG ASN A 198 -5.418 12.064 -2.652 1.00 0.00 C ATOM 400 OD1 ASN A 198 -4.241 11.765 -2.698 1.00 0.00 O ATOM 401 ND2 ASN A 198 -5.872 13.055 -3.375 1.00 0.00 N ATOM 0 H ASN A 198 -4.187 10.980 -0.447 1.00 0.00 H new ATOM 0 HA ASN A 198 -6.609 9.323 -0.943 1.00 0.00 H new ATOM 0 HB2 ASN A 198 -7.336 11.151 -2.281 1.00 0.00 H new ATOM 0 HB3 ASN A 198 -6.605 11.872 -0.862 1.00 0.00 H new ATOM 0 HD21 ASN A 198 -5.238 13.578 -3.979 1.00 0.00 H new ATOM 0 HD22 ASN A 198 -6.860 13.305 -3.335 1.00 0.00 H new ATOM 408 N LEU A 199 -6.062 8.674 -3.439 1.00 0.00 N ATOM 409 CA LEU A 199 -5.549 7.954 -4.643 1.00 0.00 C ATOM 410 C LEU A 199 -4.591 8.848 -5.443 1.00 0.00 C ATOM 411 O LEU A 199 -3.571 8.400 -5.927 1.00 0.00 O ATOM 412 CB LEU A 199 -6.727 7.569 -5.547 1.00 0.00 C ATOM 413 CG LEU A 199 -7.652 6.573 -4.836 1.00 0.00 C ATOM 414 CD1 LEU A 199 -8.834 6.247 -5.756 1.00 0.00 C ATOM 415 CD2 LEU A 199 -6.886 5.278 -4.489 1.00 0.00 C ATOM 0 H LEU A 199 -7.078 8.699 -3.349 1.00 0.00 H new ATOM 0 HA LEU A 199 -5.016 7.064 -4.310 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.288 8.462 -5.822 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -6.354 7.130 -6.472 1.00 0.00 H new ATOM 0 HG LEU A 199 -8.014 7.017 -3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -9.497 5.539 -5.259 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -9.382 7.162 -5.982 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -8.464 5.808 -6.682 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -7.557 4.582 -3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -6.510 4.821 -5.405 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -6.049 5.515 -3.832 1.00 0.00 H new ATOM 427 N LYS A 200 -4.917 10.100 -5.605 1.00 0.00 N ATOM 428 CA LYS A 200 -4.033 11.002 -6.401 1.00 0.00 C ATOM 429 C LYS A 200 -2.637 11.080 -5.776 1.00 0.00 C ATOM 430 O LYS A 200 -1.635 11.082 -6.463 1.00 0.00 O ATOM 431 CB LYS A 200 -4.641 12.406 -6.452 1.00 0.00 C ATOM 432 CG LYS A 200 -3.813 13.316 -7.381 1.00 0.00 C ATOM 433 CD LYS A 200 -4.081 12.966 -8.853 1.00 0.00 C ATOM 434 CE LYS A 200 -3.626 14.125 -9.740 1.00 0.00 C ATOM 435 NZ LYS A 200 -4.498 15.310 -9.496 1.00 0.00 N ATOM 0 H LYS A 200 -5.755 10.538 -5.222 1.00 0.00 H new ATOM 0 HA LYS A 200 -3.947 10.598 -7.410 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -5.670 12.351 -6.808 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -4.673 12.832 -5.449 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -4.066 14.360 -7.197 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -2.752 13.202 -7.161 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -3.548 12.055 -9.125 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -5.143 12.772 -9.005 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -2.587 14.375 -9.526 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -3.674 13.834 -10.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -4.534 15.897 -10.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -5.458 14.991 -9.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -4.111 15.870 -8.710 1.00 0.00 H new ATOM 449 N ASP A 201 -2.555 11.173 -4.490 1.00 0.00 N ATOM 450 CA ASP A 201 -1.218 11.272 -3.854 1.00 0.00 C ATOM 451 C ASP A 201 -0.471 9.950 -4.021 1.00 0.00 C ATOM 452 O ASP A 201 0.727 9.924 -4.226 1.00 0.00 O ATOM 453 CB ASP A 201 -1.385 11.607 -2.373 1.00 0.00 C ATOM 454 CG ASP A 201 -1.887 13.046 -2.240 1.00 0.00 C ATOM 455 OD1 ASP A 201 -1.551 13.852 -3.093 1.00 0.00 O ATOM 456 OD2 ASP A 201 -2.603 13.319 -1.291 1.00 0.00 O ATOM 0 H ASP A 201 -3.349 11.185 -3.850 1.00 0.00 H new ATOM 0 HA ASP A 201 -0.640 12.062 -4.333 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -2.091 10.918 -1.909 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -0.435 11.490 -1.851 1.00 0.00 H new ATOM 461 N LEU A 202 -1.165 8.853 -3.929 1.00 0.00 N ATOM 462 CA LEU A 202 -0.494 7.527 -4.067 1.00 0.00 C ATOM 463 C LEU A 202 0.113 7.354 -5.460 1.00 0.00 C ATOM 464 O LEU A 202 1.199 6.826 -5.601 1.00 0.00 O ATOM 465 CB LEU A 202 -1.512 6.409 -3.825 1.00 0.00 C ATOM 466 CG LEU A 202 -1.910 6.358 -2.343 1.00 0.00 C ATOM 467 CD1 LEU A 202 -3.000 5.298 -2.159 1.00 0.00 C ATOM 468 CD2 LEU A 202 -0.685 5.996 -1.469 1.00 0.00 C ATOM 0 H LEU A 202 -2.171 8.814 -3.764 1.00 0.00 H new ATOM 0 HA LEU A 202 0.307 7.477 -3.330 1.00 0.00 H new ATOM 0 HB2 LEU A 202 -2.397 6.575 -4.440 1.00 0.00 H new ATOM 0 HB3 LEU A 202 -1.088 5.451 -4.127 1.00 0.00 H new ATOM 0 HG LEU A 202 -2.281 7.336 -2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 202 -3.290 5.253 -1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 202 -3.868 5.559 -2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 202 -2.619 4.326 -2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 202 -0.983 5.964 -0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 202 -0.301 5.021 -1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 202 0.092 6.748 -1.602 1.00 0.00 H new ATOM 480 N VAL A 203 -0.561 7.769 -6.497 1.00 0.00 N ATOM 481 CA VAL A 203 0.023 7.584 -7.854 1.00 0.00 C ATOM 482 C VAL A 203 1.310 8.382 -7.979 1.00 0.00 C ATOM 483 O VAL A 203 2.258 7.947 -8.601 1.00 0.00 O ATOM 484 CB VAL A 203 -0.963 8.014 -8.942 1.00 0.00 C ATOM 485 CG1 VAL A 203 -2.086 6.987 -9.060 1.00 0.00 C ATOM 486 CG2 VAL A 203 -1.568 9.361 -8.581 1.00 0.00 C ATOM 0 H VAL A 203 -1.475 8.221 -6.466 1.00 0.00 H new ATOM 0 HA VAL A 203 0.239 6.524 -7.988 1.00 0.00 H new ATOM 0 HB VAL A 203 -0.431 8.088 -9.890 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -2.784 7.299 -9.836 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -1.665 6.016 -9.320 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -2.612 6.912 -8.108 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -2.270 9.665 -9.358 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -2.093 9.281 -7.629 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -0.776 10.105 -8.497 1.00 0.00 H new ATOM 496 N ASP A 204 1.373 9.539 -7.389 1.00 0.00 N ATOM 497 CA ASP A 204 2.629 10.327 -7.495 1.00 0.00 C ATOM 498 C ASP A 204 3.770 9.463 -6.957 1.00 0.00 C ATOM 499 O ASP A 204 4.847 9.411 -7.516 1.00 0.00 O ATOM 500 CB ASP A 204 2.498 11.607 -6.660 1.00 0.00 C ATOM 501 CG ASP A 204 3.685 12.530 -6.938 1.00 0.00 C ATOM 502 OD1 ASP A 204 4.576 12.115 -7.660 1.00 0.00 O ATOM 503 OD2 ASP A 204 3.685 13.634 -6.420 1.00 0.00 O ATOM 0 H ASP A 204 0.624 9.968 -6.846 1.00 0.00 H new ATOM 0 HA ASP A 204 2.826 10.606 -8.530 1.00 0.00 H new ATOM 0 HB2 ASP A 204 1.565 12.116 -6.902 1.00 0.00 H new ATOM 0 HB3 ASP A 204 2.460 11.358 -5.599 1.00 0.00 H new ATOM 508 N ILE A 205 3.522 8.775 -5.882 1.00 0.00 N ATOM 509 CA ILE A 205 4.558 7.886 -5.283 1.00 0.00 C ATOM 510 C ILE A 205 4.799 6.680 -6.199 1.00 0.00 C ATOM 511 O ILE A 205 5.880 6.127 -6.245 1.00 0.00 O ATOM 512 CB ILE A 205 4.043 7.404 -3.928 1.00 0.00 C ATOM 513 CG1 ILE A 205 3.673 8.633 -3.098 1.00 0.00 C ATOM 514 CG2 ILE A 205 5.130 6.596 -3.203 1.00 0.00 C ATOM 515 CD1 ILE A 205 3.287 8.208 -1.685 1.00 0.00 C ATOM 0 H ILE A 205 2.632 8.789 -5.383 1.00 0.00 H new ATOM 0 HA ILE A 205 5.496 8.428 -5.163 1.00 0.00 H new ATOM 0 HB ILE A 205 3.174 6.761 -4.067 1.00 0.00 H new ATOM 0 HG12 ILE A 205 4.514 9.325 -3.062 1.00 0.00 H new ATOM 0 HG13 ILE A 205 2.844 9.163 -3.567 1.00 0.00 H new ATOM 0 HG21 ILE A 205 4.750 6.258 -2.239 1.00 0.00 H new ATOM 0 HG22 ILE A 205 5.405 5.732 -3.807 1.00 0.00 H new ATOM 0 HG23 ILE A 205 6.007 7.224 -3.048 1.00 0.00 H new ATOM 0 HD11 ILE A 205 3.025 9.089 -1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 205 2.432 7.533 -1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 205 4.128 7.698 -1.216 1.00 0.00 H new ATOM 527 N THR A 206 3.786 6.257 -6.913 1.00 0.00 N ATOM 528 CA THR A 206 3.923 5.073 -7.815 1.00 0.00 C ATOM 529 C THR A 206 3.082 5.289 -9.070 1.00 0.00 C ATOM 530 O THR A 206 1.870 5.254 -9.035 1.00 0.00 O ATOM 531 CB THR A 206 3.412 3.830 -7.084 1.00 0.00 C ATOM 532 OG1 THR A 206 2.126 4.103 -6.542 1.00 0.00 O ATOM 533 CG2 THR A 206 4.375 3.448 -5.961 1.00 0.00 C ATOM 0 H THR A 206 2.861 6.686 -6.909 1.00 0.00 H new ATOM 0 HA THR A 206 4.969 4.943 -8.092 1.00 0.00 H new ATOM 0 HB THR A 206 3.346 2.999 -7.787 1.00 0.00 H new ATOM 0 HG1 THR A 206 1.590 4.592 -7.201 1.00 0.00 H new ATOM 0 HG21 THR A 206 4.002 2.562 -5.447 1.00 0.00 H new ATOM 0 HG22 THR A 206 5.358 3.237 -6.381 1.00 0.00 H new ATOM 0 HG23 THR A 206 4.453 4.273 -5.252 1.00 0.00 H new ATOM 541 N LYS A 207 3.716 5.501 -10.182 1.00 0.00 N ATOM 542 CA LYS A 207 2.960 5.717 -11.447 1.00 0.00 C ATOM 543 C LYS A 207 2.397 4.380 -11.938 1.00 0.00 C ATOM 544 O LYS A 207 2.235 4.162 -13.122 1.00 0.00 O ATOM 545 CB LYS A 207 3.898 6.297 -12.515 1.00 0.00 C ATOM 546 CG LYS A 207 4.292 7.756 -12.169 1.00 0.00 C ATOM 547 CD LYS A 207 5.618 7.789 -11.387 1.00 0.00 C ATOM 548 CE LYS A 207 6.812 7.683 -12.347 1.00 0.00 C ATOM 549 NZ LYS A 207 8.069 7.974 -11.603 1.00 0.00 N ATOM 0 H LYS A 207 4.731 5.535 -10.274 1.00 0.00 H new ATOM 0 HA LYS A 207 2.142 6.414 -11.265 1.00 0.00 H new ATOM 0 HB2 LYS A 207 4.795 5.682 -12.591 1.00 0.00 H new ATOM 0 HB3 LYS A 207 3.409 6.269 -13.489 1.00 0.00 H new ATOM 0 HG2 LYS A 207 4.389 8.339 -13.085 1.00 0.00 H new ATOM 0 HG3 LYS A 207 3.503 8.221 -11.578 1.00 0.00 H new ATOM 0 HD2 LYS A 207 5.686 8.714 -10.814 1.00 0.00 H new ATOM 0 HD3 LYS A 207 5.645 6.967 -10.671 1.00 0.00 H new ATOM 0 HE2 LYS A 207 6.856 6.685 -12.782 1.00 0.00 H new ATOM 0 HE3 LYS A 207 6.693 8.385 -13.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 8.880 7.903 -12.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 8.024 8.935 -11.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 8.182 7.287 -10.830 1.00 0.00 H new ATOM 563 N GLN A 208 2.093 3.483 -11.037 1.00 0.00 N ATOM 564 CA GLN A 208 1.533 2.162 -11.453 1.00 0.00 C ATOM 565 C GLN A 208 0.010 2.314 -11.613 1.00 0.00 C ATOM 566 O GLN A 208 -0.597 3.119 -10.938 1.00 0.00 O ATOM 567 CB GLN A 208 1.845 1.128 -10.366 1.00 0.00 C ATOM 568 CG GLN A 208 3.365 0.978 -10.247 1.00 0.00 C ATOM 569 CD GLN A 208 3.716 0.203 -8.976 1.00 0.00 C ATOM 570 OE1 GLN A 208 3.423 -0.972 -8.864 1.00 0.00 O ATOM 571 NE2 GLN A 208 4.339 0.816 -8.006 1.00 0.00 N ATOM 0 H GLN A 208 2.208 3.607 -10.031 1.00 0.00 H new ATOM 0 HA GLN A 208 1.971 1.833 -12.395 1.00 0.00 H new ATOM 0 HB2 GLN A 208 1.421 1.444 -9.413 1.00 0.00 H new ATOM 0 HB3 GLN A 208 1.390 0.170 -10.615 1.00 0.00 H new ATOM 0 HG2 GLN A 208 3.757 0.457 -11.120 1.00 0.00 H new ATOM 0 HG3 GLN A 208 3.835 1.961 -10.225 1.00 0.00 H new ATOM 0 HE21 GLN A 208 4.585 1.801 -8.100 1.00 0.00 H new ATOM 0 HE22 GLN A 208 4.580 0.309 -7.154 1.00 0.00 H new ATOM 580 N PRO A 209 -0.615 1.569 -12.500 1.00 0.00 N ATOM 581 CA PRO A 209 -2.087 1.682 -12.720 1.00 0.00 C ATOM 582 C PRO A 209 -2.874 1.790 -11.405 1.00 0.00 C ATOM 583 O PRO A 209 -2.693 1.003 -10.496 1.00 0.00 O ATOM 584 CB PRO A 209 -2.442 0.389 -13.463 1.00 0.00 C ATOM 585 CG PRO A 209 -1.197 0.006 -14.204 1.00 0.00 C ATOM 586 CD PRO A 209 -0.010 0.547 -13.386 1.00 0.00 C ATOM 0 HA PRO A 209 -2.345 2.586 -13.272 1.00 0.00 H new ATOM 0 HB2 PRO A 209 -2.743 -0.395 -12.768 1.00 0.00 H new ATOM 0 HB3 PRO A 209 -3.276 0.545 -14.148 1.00 0.00 H new ATOM 0 HG2 PRO A 209 -1.130 -1.076 -14.314 1.00 0.00 H new ATOM 0 HG3 PRO A 209 -1.199 0.429 -15.209 1.00 0.00 H new ATOM 0 HD2 PRO A 209 0.471 -0.244 -12.811 1.00 0.00 H new ATOM 0 HD3 PRO A 209 0.754 0.981 -14.031 1.00 0.00 H new ATOM 594 N VAL A 210 -3.757 2.750 -11.306 1.00 0.00 N ATOM 595 CA VAL A 210 -4.568 2.897 -10.066 1.00 0.00 C ATOM 596 C VAL A 210 -5.341 1.609 -9.831 1.00 0.00 C ATOM 597 O VAL A 210 -5.399 1.089 -8.733 1.00 0.00 O ATOM 598 CB VAL A 210 -5.546 4.062 -10.233 1.00 0.00 C ATOM 599 CG1 VAL A 210 -4.756 5.356 -10.433 1.00 0.00 C ATOM 600 CG2 VAL A 210 -6.448 3.818 -11.450 1.00 0.00 C ATOM 0 H VAL A 210 -3.950 3.439 -12.033 1.00 0.00 H new ATOM 0 HA VAL A 210 -3.917 3.096 -9.215 1.00 0.00 H new ATOM 0 HB VAL A 210 -6.167 4.143 -9.341 1.00 0.00 H new ATOM 0 HG11 VAL A 210 -5.448 6.190 -10.553 1.00 0.00 H new ATOM 0 HG12 VAL A 210 -4.121 5.533 -9.565 1.00 0.00 H new ATOM 0 HG13 VAL A 210 -4.135 5.269 -11.325 1.00 0.00 H new ATOM 0 HG21 VAL A 210 -7.141 4.652 -11.562 1.00 0.00 H new ATOM 0 HG22 VAL A 210 -5.834 3.733 -12.347 1.00 0.00 H new ATOM 0 HG23 VAL A 210 -7.010 2.895 -11.307 1.00 0.00 H new ATOM 610 N VAL A 211 -5.930 1.085 -10.863 1.00 0.00 N ATOM 611 CA VAL A 211 -6.700 -0.170 -10.718 1.00 0.00 C ATOM 612 C VAL A 211 -5.827 -1.215 -10.030 1.00 0.00 C ATOM 613 O VAL A 211 -6.304 -2.024 -9.258 1.00 0.00 O ATOM 614 CB VAL A 211 -7.113 -0.668 -12.106 1.00 0.00 C ATOM 615 CG1 VAL A 211 -8.070 0.337 -12.748 1.00 0.00 C ATOM 616 CG2 VAL A 211 -5.871 -0.812 -12.991 1.00 0.00 C ATOM 0 H VAL A 211 -5.910 1.476 -11.805 1.00 0.00 H new ATOM 0 HA VAL A 211 -7.593 0.006 -10.118 1.00 0.00 H new ATOM 0 HB VAL A 211 -7.607 -1.634 -12.007 1.00 0.00 H new ATOM 0 HG11 VAL A 211 -8.363 -0.019 -13.736 1.00 0.00 H new ATOM 0 HG12 VAL A 211 -8.957 0.445 -12.124 1.00 0.00 H new ATOM 0 HG13 VAL A 211 -7.573 1.303 -12.843 1.00 0.00 H new ATOM 0 HG21 VAL A 211 -6.167 -1.167 -13.978 1.00 0.00 H new ATOM 0 HG22 VAL A 211 -5.378 0.155 -13.086 1.00 0.00 H new ATOM 0 HG23 VAL A 211 -5.184 -1.527 -12.540 1.00 0.00 H new ATOM 626 N TYR A 212 -4.551 -1.197 -10.288 1.00 0.00 N ATOM 627 CA TYR A 212 -3.660 -2.189 -9.629 1.00 0.00 C ATOM 628 C TYR A 212 -3.468 -1.780 -8.167 1.00 0.00 C ATOM 629 O TYR A 212 -3.559 -2.588 -7.264 1.00 0.00 O ATOM 630 CB TYR A 212 -2.307 -2.212 -10.349 1.00 0.00 C ATOM 631 CG TYR A 212 -1.431 -3.307 -9.776 1.00 0.00 C ATOM 632 CD1 TYR A 212 -1.666 -4.648 -10.115 1.00 0.00 C ATOM 633 CD2 TYR A 212 -0.377 -2.978 -8.914 1.00 0.00 C ATOM 634 CE1 TYR A 212 -0.845 -5.656 -9.593 1.00 0.00 C ATOM 635 CE2 TYR A 212 0.440 -3.986 -8.393 1.00 0.00 C ATOM 636 CZ TYR A 212 0.206 -5.324 -8.732 1.00 0.00 C ATOM 637 OH TYR A 212 1.016 -6.315 -8.218 1.00 0.00 O ATOM 0 H TYR A 212 -4.089 -0.544 -10.921 1.00 0.00 H new ATOM 0 HA TYR A 212 -4.103 -3.184 -9.675 1.00 0.00 H new ATOM 0 HB2 TYR A 212 -2.457 -2.376 -11.416 1.00 0.00 H new ATOM 0 HB3 TYR A 212 -1.813 -1.246 -10.242 1.00 0.00 H new ATOM 0 HD1 TYR A 212 -2.479 -4.903 -10.778 1.00 0.00 H new ATOM 0 HD2 TYR A 212 -0.195 -1.946 -8.652 1.00 0.00 H new ATOM 0 HE1 TYR A 212 -1.023 -6.688 -9.855 1.00 0.00 H new ATOM 0 HE2 TYR A 212 1.252 -3.732 -7.728 1.00 0.00 H new ATOM 0 HH TYR A 212 1.478 -6.773 -8.951 1.00 0.00 H new ATOM 647 N LEU A 213 -3.213 -0.521 -7.936 1.00 0.00 N ATOM 648 CA LEU A 213 -3.024 -0.027 -6.540 1.00 0.00 C ATOM 649 C LEU A 213 -4.337 -0.164 -5.763 1.00 0.00 C ATOM 650 O LEU A 213 -4.354 -0.571 -4.619 1.00 0.00 O ATOM 651 CB LEU A 213 -2.628 1.448 -6.580 1.00 0.00 C ATOM 652 CG LEU A 213 -1.287 1.611 -7.305 1.00 0.00 C ATOM 653 CD1 LEU A 213 -1.022 3.101 -7.538 1.00 0.00 C ATOM 654 CD2 LEU A 213 -0.144 0.994 -6.472 1.00 0.00 C ATOM 0 H LEU A 213 -3.127 0.193 -8.659 1.00 0.00 H new ATOM 0 HA LEU A 213 -2.245 -0.613 -6.052 1.00 0.00 H new ATOM 0 HB2 LEU A 213 -3.399 2.026 -7.089 1.00 0.00 H new ATOM 0 HB3 LEU A 213 -2.553 1.841 -5.566 1.00 0.00 H new ATOM 0 HG LEU A 213 -1.331 1.092 -8.262 1.00 0.00 H new ATOM 0 HD11 LEU A 213 -0.070 3.225 -8.053 1.00 0.00 H new ATOM 0 HD12 LEU A 213 -1.822 3.522 -8.147 1.00 0.00 H new ATOM 0 HD13 LEU A 213 -0.986 3.618 -6.579 1.00 0.00 H new ATOM 0 HD21 LEU A 213 0.800 1.119 -7.002 1.00 0.00 H new ATOM 0 HD22 LEU A 213 -0.087 1.495 -5.505 1.00 0.00 H new ATOM 0 HD23 LEU A 213 -0.337 -0.068 -6.320 1.00 0.00 H new ATOM 666 N LYS A 214 -5.439 0.186 -6.377 1.00 0.00 N ATOM 667 CA LYS A 214 -6.751 0.089 -5.670 1.00 0.00 C ATOM 668 C LYS A 214 -6.978 -1.350 -5.218 1.00 0.00 C ATOM 669 O LYS A 214 -7.483 -1.598 -4.143 1.00 0.00 O ATOM 670 CB LYS A 214 -7.890 0.521 -6.606 1.00 0.00 C ATOM 671 CG LYS A 214 -7.825 2.039 -6.851 1.00 0.00 C ATOM 672 CD LYS A 214 -9.164 2.549 -7.409 1.00 0.00 C ATOM 673 CE LYS A 214 -9.363 2.053 -8.843 1.00 0.00 C ATOM 674 NZ LYS A 214 -10.605 2.656 -9.408 1.00 0.00 N ATOM 0 H LYS A 214 -5.486 0.534 -7.335 1.00 0.00 H new ATOM 0 HA LYS A 214 -6.738 0.748 -4.802 1.00 0.00 H new ATOM 0 HB2 LYS A 214 -7.814 -0.012 -7.554 1.00 0.00 H new ATOM 0 HB3 LYS A 214 -8.852 0.256 -6.167 1.00 0.00 H new ATOM 0 HG2 LYS A 214 -7.592 2.555 -5.919 1.00 0.00 H new ATOM 0 HG3 LYS A 214 -7.021 2.267 -7.551 1.00 0.00 H new ATOM 0 HD2 LYS A 214 -9.984 2.203 -6.780 1.00 0.00 H new ATOM 0 HD3 LYS A 214 -9.184 3.639 -7.387 1.00 0.00 H new ATOM 0 HE2 LYS A 214 -8.503 2.323 -9.456 1.00 0.00 H new ATOM 0 HE3 LYS A 214 -9.435 0.965 -8.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 214 -10.742 2.320 -10.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 214 -11.422 2.377 -8.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 214 -10.519 3.692 -9.408 1.00 0.00 H new ATOM 688 N GLU A 215 -6.604 -2.300 -6.023 1.00 0.00 N ATOM 689 CA GLU A 215 -6.799 -3.722 -5.631 1.00 0.00 C ATOM 690 C GLU A 215 -5.996 -4.011 -4.366 1.00 0.00 C ATOM 691 O GLU A 215 -6.455 -4.679 -3.461 1.00 0.00 O ATOM 692 CB GLU A 215 -6.323 -4.616 -6.775 1.00 0.00 C ATOM 693 CG GLU A 215 -7.333 -4.542 -7.928 1.00 0.00 C ATOM 694 CD GLU A 215 -8.532 -5.442 -7.618 1.00 0.00 C ATOM 695 OE1 GLU A 215 -9.386 -5.018 -6.856 1.00 0.00 O ATOM 696 OE2 GLU A 215 -8.574 -6.538 -8.148 1.00 0.00 O ATOM 0 H GLU A 215 -6.172 -2.155 -6.935 1.00 0.00 H new ATOM 0 HA GLU A 215 -7.852 -3.919 -5.432 1.00 0.00 H new ATOM 0 HB2 GLU A 215 -5.339 -4.296 -7.117 1.00 0.00 H new ATOM 0 HB3 GLU A 215 -6.222 -5.645 -6.430 1.00 0.00 H new ATOM 0 HG2 GLU A 215 -7.664 -3.513 -8.069 1.00 0.00 H new ATOM 0 HG3 GLU A 215 -6.861 -4.856 -8.859 1.00 0.00 H new ATOM 703 N ILE A 216 -4.805 -3.500 -4.285 1.00 0.00 N ATOM 704 CA ILE A 216 -3.979 -3.728 -3.074 1.00 0.00 C ATOM 705 C ILE A 216 -4.577 -2.963 -1.900 1.00 0.00 C ATOM 706 O ILE A 216 -4.579 -3.428 -0.777 1.00 0.00 O ATOM 707 CB ILE A 216 -2.566 -3.231 -3.349 1.00 0.00 C ATOM 708 CG1 ILE A 216 -1.959 -4.095 -4.451 1.00 0.00 C ATOM 709 CG2 ILE A 216 -1.716 -3.318 -2.081 1.00 0.00 C ATOM 710 CD1 ILE A 216 -0.640 -3.480 -4.912 1.00 0.00 C ATOM 0 H ILE A 216 -4.366 -2.931 -5.009 1.00 0.00 H new ATOM 0 HA ILE A 216 -3.956 -4.790 -2.829 1.00 0.00 H new ATOM 0 HB ILE A 216 -2.594 -2.188 -3.665 1.00 0.00 H new ATOM 0 HG12 ILE A 216 -1.792 -5.107 -4.083 1.00 0.00 H new ATOM 0 HG13 ILE A 216 -2.650 -4.171 -5.290 1.00 0.00 H new ATOM 0 HG21 ILE A 216 -0.709 -2.959 -2.293 1.00 0.00 H new ATOM 0 HG22 ILE A 216 -2.163 -2.703 -1.300 1.00 0.00 H new ATOM 0 HG23 ILE A 216 -1.669 -4.354 -1.745 1.00 0.00 H new ATOM 0 HD11 ILE A 216 -0.206 -4.097 -5.699 1.00 0.00 H new ATOM 0 HD12 ILE A 216 -0.821 -2.476 -5.296 1.00 0.00 H new ATOM 0 HD13 ILE A 216 0.051 -3.427 -4.070 1.00 0.00 H new ATOM 722 N LEU A 217 -5.090 -1.795 -2.153 1.00 0.00 N ATOM 723 CA LEU A 217 -5.698 -0.999 -1.055 1.00 0.00 C ATOM 724 C LEU A 217 -7.043 -1.627 -0.682 1.00 0.00 C ATOM 725 O LEU A 217 -7.461 -1.606 0.452 1.00 0.00 O ATOM 726 CB LEU A 217 -5.921 0.438 -1.526 1.00 0.00 C ATOM 727 CG LEU A 217 -4.569 1.106 -1.844 1.00 0.00 C ATOM 728 CD1 LEU A 217 -4.804 2.448 -2.554 1.00 0.00 C ATOM 729 CD2 LEU A 217 -3.766 1.345 -0.549 1.00 0.00 C ATOM 0 H LEU A 217 -5.115 -1.356 -3.074 1.00 0.00 H new ATOM 0 HA LEU A 217 -5.035 -0.993 -0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 217 -6.556 0.444 -2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 217 -6.443 1.005 -0.755 1.00 0.00 H new ATOM 0 HG LEU A 217 -4.000 0.442 -2.495 1.00 0.00 H new ATOM 0 HD11 LEU A 217 -3.845 2.915 -2.776 1.00 0.00 H new ATOM 0 HD12 LEU A 217 -5.348 2.278 -3.483 1.00 0.00 H new ATOM 0 HD13 LEU A 217 -5.386 3.105 -1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 217 -2.814 1.817 -0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 217 -4.334 1.995 0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 217 -3.582 0.392 -0.054 1.00 0.00 H new ATOM 741 N LYS A 218 -7.734 -2.187 -1.634 1.00 0.00 N ATOM 742 CA LYS A 218 -9.047 -2.817 -1.320 1.00 0.00 C ATOM 743 C LYS A 218 -8.858 -4.017 -0.387 1.00 0.00 C ATOM 744 O LYS A 218 -9.651 -4.243 0.505 1.00 0.00 O ATOM 745 CB LYS A 218 -9.733 -3.273 -2.615 1.00 0.00 C ATOM 746 CG LYS A 218 -10.418 -2.080 -3.293 1.00 0.00 C ATOM 747 CD LYS A 218 -11.029 -2.525 -4.623 1.00 0.00 C ATOM 748 CE LYS A 218 -11.855 -1.380 -5.213 1.00 0.00 C ATOM 749 NZ LYS A 218 -12.495 -1.832 -6.479 1.00 0.00 N ATOM 0 H LYS A 218 -7.449 -2.236 -2.612 1.00 0.00 H new ATOM 0 HA LYS A 218 -9.673 -2.078 -0.820 1.00 0.00 H new ATOM 0 HB2 LYS A 218 -8.999 -3.713 -3.290 1.00 0.00 H new ATOM 0 HB3 LYS A 218 -10.468 -4.047 -2.394 1.00 0.00 H new ATOM 0 HG2 LYS A 218 -11.194 -1.676 -2.643 1.00 0.00 H new ATOM 0 HG3 LYS A 218 -9.696 -1.281 -3.462 1.00 0.00 H new ATOM 0 HD2 LYS A 218 -10.241 -2.815 -5.318 1.00 0.00 H new ATOM 0 HD3 LYS A 218 -11.659 -3.401 -4.471 1.00 0.00 H new ATOM 0 HE2 LYS A 218 -12.617 -1.062 -4.501 1.00 0.00 H new ATOM 0 HE3 LYS A 218 -11.217 -0.517 -5.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 -13.057 -1.054 -6.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 -11.760 -2.115 -7.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 -13.116 -2.643 -6.284 1.00 0.00 H new ATOM 763 N GLU A 219 -7.840 -4.806 -0.593 1.00 0.00 N ATOM 764 CA GLU A 219 -7.658 -5.993 0.285 1.00 0.00 C ATOM 765 C GLU A 219 -7.207 -5.570 1.692 1.00 0.00 C ATOM 766 O GLU A 219 -7.703 -6.085 2.671 1.00 0.00 O ATOM 767 CB GLU A 219 -6.630 -6.944 -0.338 1.00 0.00 C ATOM 768 CG GLU A 219 -7.247 -7.626 -1.564 1.00 0.00 C ATOM 769 CD GLU A 219 -6.167 -8.387 -2.334 1.00 0.00 C ATOM 770 OE1 GLU A 219 -5.157 -7.782 -2.650 1.00 0.00 O ATOM 771 OE2 GLU A 219 -6.370 -9.563 -2.598 1.00 0.00 O ATOM 0 H GLU A 219 -7.136 -4.682 -1.321 1.00 0.00 H new ATOM 0 HA GLU A 219 -8.615 -6.507 0.377 1.00 0.00 H new ATOM 0 HB2 GLU A 219 -5.735 -6.392 -0.627 1.00 0.00 H new ATOM 0 HB3 GLU A 219 -6.321 -7.693 0.392 1.00 0.00 H new ATOM 0 HG2 GLU A 219 -8.035 -8.312 -1.252 1.00 0.00 H new ATOM 0 HG3 GLU A 219 -7.711 -6.881 -2.211 1.00 0.00 H new ATOM 778 N ILE A 220 -6.267 -4.648 1.812 1.00 0.00 N ATOM 779 CA ILE A 220 -5.789 -4.220 3.181 1.00 0.00 C ATOM 780 C ILE A 220 -6.032 -2.728 3.433 1.00 0.00 C ATOM 781 O ILE A 220 -5.913 -2.262 4.546 1.00 0.00 O ATOM 782 CB ILE A 220 -4.285 -4.482 3.300 1.00 0.00 C ATOM 783 CG1 ILE A 220 -3.521 -3.716 2.195 1.00 0.00 C ATOM 784 CG2 ILE A 220 -4.016 -5.983 3.174 1.00 0.00 C ATOM 785 CD1 ILE A 220 -2.038 -3.579 2.563 1.00 0.00 C ATOM 0 H ILE A 220 -5.813 -4.177 1.029 1.00 0.00 H new ATOM 0 HA ILE A 220 -6.351 -4.796 3.916 1.00 0.00 H new ATOM 0 HB ILE A 220 -3.938 -4.132 4.272 1.00 0.00 H new ATOM 0 HG12 ILE A 220 -3.619 -4.242 1.245 1.00 0.00 H new ATOM 0 HG13 ILE A 220 -3.961 -2.728 2.059 1.00 0.00 H new ATOM 0 HG21 ILE A 220 -2.945 -6.169 3.259 1.00 0.00 H new ATOM 0 HG22 ILE A 220 -4.541 -6.515 3.968 1.00 0.00 H new ATOM 0 HG23 ILE A 220 -4.370 -6.336 2.205 1.00 0.00 H new ATOM 0 HD11 ILE A 220 -1.516 -3.037 1.774 1.00 0.00 H new ATOM 0 HD12 ILE A 220 -1.945 -3.032 3.501 1.00 0.00 H new ATOM 0 HD13 ILE A 220 -1.598 -4.570 2.675 1.00 0.00 H new ATOM 797 N GLY A 221 -6.320 -1.965 2.423 1.00 0.00 N ATOM 798 CA GLY A 221 -6.515 -0.499 2.637 1.00 0.00 C ATOM 799 C GLY A 221 -7.941 -0.204 3.107 1.00 0.00 C ATOM 800 O GLY A 221 -8.725 -1.096 3.362 1.00 0.00 O ATOM 0 H GLY A 221 -6.430 -2.285 1.461 1.00 0.00 H new ATOM 0 HA2 GLY A 221 -5.801 -0.137 3.377 1.00 0.00 H new ATOM 0 HA3 GLY A 221 -6.314 0.038 1.710 1.00 0.00 H new ATOM 804 N VAL A 222 -8.272 1.056 3.221 1.00 0.00 N ATOM 805 CA VAL A 222 -9.638 1.462 3.676 1.00 0.00 C ATOM 806 C VAL A 222 -10.031 2.726 2.907 1.00 0.00 C ATOM 807 O VAL A 222 -9.217 3.300 2.231 1.00 0.00 O ATOM 808 CB VAL A 222 -9.590 1.776 5.176 1.00 0.00 C ATOM 809 CG1 VAL A 222 -10.984 2.174 5.670 1.00 0.00 C ATOM 810 CG2 VAL A 222 -9.100 0.544 5.944 1.00 0.00 C ATOM 0 H VAL A 222 -7.645 1.834 3.015 1.00 0.00 H new ATOM 0 HA VAL A 222 -10.360 0.665 3.496 1.00 0.00 H new ATOM 0 HB VAL A 222 -8.902 2.604 5.347 1.00 0.00 H new ATOM 0 HG11 VAL A 222 -10.943 2.396 6.736 1.00 0.00 H new ATOM 0 HG12 VAL A 222 -11.323 3.057 5.129 1.00 0.00 H new ATOM 0 HG13 VAL A 222 -11.680 1.353 5.497 1.00 0.00 H new ATOM 0 HG21 VAL A 222 -9.067 0.769 7.010 1.00 0.00 H new ATOM 0 HG22 VAL A 222 -9.782 -0.288 5.770 1.00 0.00 H new ATOM 0 HG23 VAL A 222 -8.102 0.273 5.599 1.00 0.00 H new ATOM 820 N GLN A 223 -11.262 3.169 3.002 1.00 0.00 N ATOM 821 CA GLN A 223 -11.686 4.413 2.265 1.00 0.00 C ATOM 822 C GLN A 223 -12.525 5.306 3.186 1.00 0.00 C ATOM 823 O GLN A 223 -13.145 4.839 4.122 1.00 0.00 O ATOM 824 CB GLN A 223 -12.520 4.021 1.039 1.00 0.00 C ATOM 825 CG GLN A 223 -12.984 5.279 0.286 1.00 0.00 C ATOM 826 CD GLN A 223 -11.785 6.159 -0.076 1.00 0.00 C ATOM 827 OE1 GLN A 223 -10.928 5.760 -0.834 1.00 0.00 O ATOM 828 NE2 GLN A 223 -11.690 7.354 0.442 1.00 0.00 N ATOM 0 H GLN A 223 -11.995 2.726 3.557 1.00 0.00 H new ATOM 0 HA GLN A 223 -10.798 4.960 1.946 1.00 0.00 H new ATOM 0 HB2 GLN A 223 -11.930 3.389 0.376 1.00 0.00 H new ATOM 0 HB3 GLN A 223 -13.385 3.436 1.351 1.00 0.00 H new ATOM 0 HG2 GLN A 223 -13.518 4.992 -0.619 1.00 0.00 H new ATOM 0 HG3 GLN A 223 -13.683 5.843 0.904 1.00 0.00 H new ATOM 0 HE21 GLN A 223 -12.410 7.692 1.080 1.00 0.00 H new ATOM 0 HE22 GLN A 223 -10.896 7.949 0.208 1.00 0.00 H new ATOM 837 N ASN A 224 -12.535 6.599 2.940 1.00 0.00 N ATOM 838 CA ASN A 224 -13.319 7.519 3.820 1.00 0.00 C ATOM 839 C ASN A 224 -13.735 8.780 3.043 1.00 0.00 C ATOM 840 O ASN A 224 -12.897 9.570 2.640 1.00 0.00 O ATOM 841 CB ASN A 224 -12.432 7.963 4.992 1.00 0.00 C ATOM 842 CG ASN A 224 -11.547 6.802 5.439 1.00 0.00 C ATOM 843 OD1 ASN A 224 -11.906 6.049 6.322 1.00 0.00 O ATOM 844 ND2 ASN A 224 -10.393 6.627 4.853 1.00 0.00 N ATOM 0 H ASN A 224 -12.037 7.050 2.173 1.00 0.00 H new ATOM 0 HA ASN A 224 -14.206 6.993 4.172 1.00 0.00 H new ATOM 0 HB2 ASN A 224 -11.814 8.809 4.692 1.00 0.00 H new ATOM 0 HB3 ASN A 224 -13.052 8.300 5.822 1.00 0.00 H new ATOM 0 HD21 ASN A 224 -9.789 5.855 5.136 1.00 0.00 H new ATOM 0 HD22 ASN A 224 -10.096 7.262 4.112 1.00 0.00 H new ATOM 851 N VAL A 225 -15.018 8.996 2.873 1.00 0.00 N ATOM 852 CA VAL A 225 -15.491 10.233 2.177 1.00 0.00 C ATOM 853 C VAL A 225 -15.821 11.263 3.261 1.00 0.00 C ATOM 854 O VAL A 225 -16.326 10.916 4.310 1.00 0.00 O ATOM 855 CB VAL A 225 -16.750 9.940 1.357 1.00 0.00 C ATOM 856 CG1 VAL A 225 -16.403 9.031 0.176 1.00 0.00 C ATOM 857 CG2 VAL A 225 -17.772 9.240 2.250 1.00 0.00 C ATOM 0 H VAL A 225 -15.758 8.368 3.187 1.00 0.00 H new ATOM 0 HA VAL A 225 -14.722 10.601 1.498 1.00 0.00 H new ATOM 0 HB VAL A 225 -17.163 10.875 0.978 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -17.304 8.827 -0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -15.667 9.525 -0.459 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -15.990 8.093 0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -18.673 9.027 1.674 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -17.351 8.306 2.623 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -18.023 9.886 3.091 1.00 0.00 H new ATOM 867 N LYS A 226 -15.498 12.514 3.047 1.00 0.00 N ATOM 868 CA LYS A 226 -15.749 13.556 4.101 1.00 0.00 C ATOM 869 C LYS A 226 -16.564 14.735 3.538 1.00 0.00 C ATOM 870 O LYS A 226 -17.170 14.635 2.489 1.00 0.00 O ATOM 871 CB LYS A 226 -14.385 14.007 4.625 1.00 0.00 C ATOM 872 CG LYS A 226 -13.613 12.738 5.022 1.00 0.00 C ATOM 873 CD LYS A 226 -12.238 13.079 5.594 1.00 0.00 C ATOM 874 CE LYS A 226 -12.368 13.796 6.944 1.00 0.00 C ATOM 875 NZ LYS A 226 -12.548 15.257 6.714 1.00 0.00 N ATOM 0 H LYS A 226 -15.071 12.863 2.189 1.00 0.00 H new ATOM 0 HA LYS A 226 -16.345 13.143 4.915 1.00 0.00 H new ATOM 0 HB2 LYS A 226 -13.843 14.564 3.861 1.00 0.00 H new ATOM 0 HB3 LYS A 226 -14.501 14.671 5.481 1.00 0.00 H new ATOM 0 HG2 LYS A 226 -14.187 12.177 5.760 1.00 0.00 H new ATOM 0 HG3 LYS A 226 -13.497 12.093 4.151 1.00 0.00 H new ATOM 0 HD2 LYS A 226 -11.655 12.166 5.717 1.00 0.00 H new ATOM 0 HD3 LYS A 226 -11.695 13.712 4.892 1.00 0.00 H new ATOM 0 HE2 LYS A 226 -13.217 13.397 7.500 1.00 0.00 H new ATOM 0 HE3 LYS A 226 -11.479 13.619 7.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 226 -11.790 15.780 7.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 226 -12.510 15.455 5.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 226 -13.470 15.557 7.091 1.00 0.00 H new ATOM 889 N GLY A 227 -16.614 15.832 4.262 1.00 0.00 N ATOM 890 CA GLY A 227 -17.417 17.029 3.830 1.00 0.00 C ATOM 891 C GLY A 227 -17.427 17.179 2.308 1.00 0.00 C ATOM 892 O GLY A 227 -18.434 16.971 1.661 1.00 0.00 O ATOM 0 H GLY A 227 -16.124 15.951 5.149 1.00 0.00 H new ATOM 0 HA2 GLY A 227 -18.440 16.932 4.194 1.00 0.00 H new ATOM 0 HA3 GLY A 227 -17.002 17.929 4.282 1.00 0.00 H new ATOM 896 N ILE A 228 -16.319 17.540 1.733 1.00 0.00 N ATOM 897 CA ILE A 228 -16.263 17.702 0.253 1.00 0.00 C ATOM 898 C ILE A 228 -15.938 16.348 -0.378 1.00 0.00 C ATOM 899 O ILE A 228 -15.350 16.268 -1.435 1.00 0.00 O ATOM 900 CB ILE A 228 -15.202 18.751 -0.105 1.00 0.00 C ATOM 901 CG1 ILE A 228 -13.807 18.270 0.317 1.00 0.00 C ATOM 902 CG2 ILE A 228 -15.522 20.057 0.626 1.00 0.00 C ATOM 903 CD1 ILE A 228 -12.760 19.301 -0.114 1.00 0.00 C ATOM 0 H ILE A 228 -15.445 17.731 2.223 1.00 0.00 H new ATOM 0 HA ILE A 228 -17.223 18.046 -0.132 1.00 0.00 H new ATOM 0 HB ILE A 228 -15.211 18.908 -1.184 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -13.771 18.129 1.397 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -13.591 17.304 -0.138 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -14.772 20.807 0.376 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -16.506 20.413 0.321 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -15.516 19.883 1.702 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -11.769 18.960 0.185 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -12.791 19.420 -1.197 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -12.974 20.258 0.362 1.00 0.00 H new ATOM 915 N HIS A 229 -16.316 15.286 0.289 1.00 0.00 N ATOM 916 CA HIS A 229 -16.045 13.916 -0.234 1.00 0.00 C ATOM 917 C HIS A 229 -14.533 13.732 -0.420 1.00 0.00 C ATOM 918 O HIS A 229 -14.066 13.436 -1.500 1.00 0.00 O ATOM 919 CB HIS A 229 -16.760 13.706 -1.576 1.00 0.00 C ATOM 920 CG HIS A 229 -18.234 13.972 -1.413 1.00 0.00 C ATOM 921 ND1 HIS A 229 -19.110 13.018 -0.918 1.00 0.00 N ATOM 922 CD2 HIS A 229 -18.996 15.084 -1.671 1.00 0.00 C ATOM 923 CE1 HIS A 229 -20.337 13.572 -0.889 1.00 0.00 C ATOM 924 NE2 HIS A 229 -20.324 14.830 -1.337 1.00 0.00 N ATOM 0 H HIS A 229 -16.806 15.313 1.183 1.00 0.00 H new ATOM 0 HA HIS A 229 -16.419 13.183 0.480 1.00 0.00 H new ATOM 0 HB2 HIS A 229 -16.342 14.372 -2.330 1.00 0.00 H new ATOM 0 HB3 HIS A 229 -16.601 12.687 -1.928 1.00 0.00 H new ATOM 0 HD2 HIS A 229 -18.623 16.015 -2.072 1.00 0.00 H new ATOM 0 HE1 HIS A 229 -21.224 13.061 -0.545 1.00 0.00 H new ATOM 0 HE2 HIS A 229 -21.116 15.468 -1.417 1.00 0.00 H new ATOM 932 N LYS A 230 -13.766 13.912 0.625 1.00 0.00 N ATOM 933 CA LYS A 230 -12.286 13.753 0.500 1.00 0.00 C ATOM 934 C LYS A 230 -11.935 12.268 0.402 1.00 0.00 C ATOM 935 O LYS A 230 -12.215 11.496 1.299 1.00 0.00 O ATOM 936 CB LYS A 230 -11.604 14.335 1.737 1.00 0.00 C ATOM 937 CG LYS A 230 -11.952 15.820 1.868 1.00 0.00 C ATOM 938 CD LYS A 230 -11.261 16.405 3.107 1.00 0.00 C ATOM 939 CE LYS A 230 -11.884 17.756 3.464 1.00 0.00 C ATOM 940 NZ LYS A 230 -11.509 18.760 2.430 1.00 0.00 N ATOM 0 H LYS A 230 -14.099 14.161 1.556 1.00 0.00 H new ATOM 0 HA LYS A 230 -11.946 14.275 -0.395 1.00 0.00 H new ATOM 0 HB2 LYS A 230 -11.925 13.796 2.628 1.00 0.00 H new ATOM 0 HB3 LYS A 230 -10.524 14.210 1.661 1.00 0.00 H new ATOM 0 HG2 LYS A 230 -11.635 16.358 0.975 1.00 0.00 H new ATOM 0 HG3 LYS A 230 -13.032 15.945 1.949 1.00 0.00 H new ATOM 0 HD2 LYS A 230 -11.358 15.717 3.947 1.00 0.00 H new ATOM 0 HD3 LYS A 230 -10.195 16.526 2.916 1.00 0.00 H new ATOM 0 HE2 LYS A 230 -12.969 17.665 3.522 1.00 0.00 H new ATOM 0 HE3 LYS A 230 -11.538 18.081 4.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 230 -12.354 19.292 2.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 230 -10.805 19.417 2.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 230 -11.105 18.274 1.604 1.00 0.00 H new ATOM 954 N ASN A 231 -11.321 11.858 -0.674 1.00 0.00 N ATOM 955 CA ASN A 231 -10.951 10.421 -0.815 1.00 0.00 C ATOM 956 C ASN A 231 -9.675 10.138 -0.019 1.00 0.00 C ATOM 957 O ASN A 231 -8.614 10.610 -0.378 1.00 0.00 O ATOM 958 CB ASN A 231 -10.676 10.107 -2.293 1.00 0.00 C ATOM 959 CG ASN A 231 -11.690 10.826 -3.176 1.00 0.00 C ATOM 960 OD1 ASN A 231 -12.819 10.400 -3.306 1.00 0.00 O ATOM 961 ND2 ASN A 231 -11.321 11.915 -3.795 1.00 0.00 N ATOM 0 H ASN A 231 -11.060 12.454 -1.460 1.00 0.00 H new ATOM 0 HA ASN A 231 -11.770 9.806 -0.443 1.00 0.00 H new ATOM 0 HB2 ASN A 231 -9.666 10.418 -2.558 1.00 0.00 H new ATOM 0 HB3 ASN A 231 -10.733 9.032 -2.462 1.00 0.00 H new ATOM 0 HD21 ASN A 231 -11.983 12.412 -4.391 1.00 0.00 H new ATOM 0 HD22 ASN A 231 -10.371 12.269 -3.682 1.00 0.00 H new ATOM 968 N THR A 232 -9.748 9.360 1.035 1.00 0.00 N ATOM 969 CA THR A 232 -8.503 9.037 1.813 1.00 0.00 C ATOM 970 C THR A 232 -8.409 7.531 2.009 1.00 0.00 C ATOM 971 O THR A 232 -9.412 6.851 2.117 1.00 0.00 O ATOM 972 CB THR A 232 -8.542 9.714 3.175 1.00 0.00 C ATOM 973 OG1 THR A 232 -9.661 9.240 3.913 1.00 0.00 O ATOM 974 CG2 THR A 232 -8.642 11.220 2.981 1.00 0.00 C ATOM 0 H THR A 232 -10.606 8.937 1.390 1.00 0.00 H new ATOM 0 HA THR A 232 -7.636 9.398 1.259 1.00 0.00 H new ATOM 0 HB THR A 232 -7.632 9.482 3.729 1.00 0.00 H new ATOM 0 HG1 THR A 232 -9.683 9.676 4.790 1.00 0.00 H new ATOM 0 HG21 THR A 232 -8.670 11.711 3.954 1.00 0.00 H new ATOM 0 HG22 THR A 232 -7.776 11.573 2.421 1.00 0.00 H new ATOM 0 HG23 THR A 232 -9.552 11.456 2.429 1.00 0.00 H new ATOM 982 N TRP A 233 -7.205 7.012 2.067 1.00 0.00 N ATOM 983 CA TRP A 233 -7.016 5.543 2.263 1.00 0.00 C ATOM 984 C TRP A 233 -6.106 5.293 3.459 1.00 0.00 C ATOM 985 O TRP A 233 -5.249 6.093 3.780 1.00 0.00 O ATOM 986 CB TRP A 233 -6.391 4.909 1.014 1.00 0.00 C ATOM 987 CG TRP A 233 -7.381 4.901 -0.113 1.00 0.00 C ATOM 988 CD1 TRP A 233 -7.629 5.943 -0.939 1.00 0.00 C ATOM 989 CD2 TRP A 233 -8.244 3.810 -0.559 1.00 0.00 C ATOM 990 NE1 TRP A 233 -8.591 5.564 -1.860 1.00 0.00 N ATOM 991 CE2 TRP A 233 -9.000 4.259 -1.667 1.00 0.00 C ATOM 992 CE3 TRP A 233 -8.442 2.489 -0.115 1.00 0.00 C ATOM 993 CZ2 TRP A 233 -9.922 3.432 -2.310 1.00 0.00 C ATOM 994 CZ3 TRP A 233 -9.370 1.653 -0.758 1.00 0.00 C ATOM 995 CH2 TRP A 233 -10.108 2.123 -1.854 1.00 0.00 C ATOM 0 H TRP A 233 -6.341 7.548 1.986 1.00 0.00 H new ATOM 0 HA TRP A 233 -7.992 5.092 2.441 1.00 0.00 H new ATOM 0 HB2 TRP A 233 -5.500 5.465 0.722 1.00 0.00 H new ATOM 0 HB3 TRP A 233 -6.072 3.890 1.235 1.00 0.00 H new ATOM 0 HD1 TRP A 233 -7.154 6.912 -0.888 1.00 0.00 H new ATOM 0 HE1 TRP A 233 -8.954 6.175 -2.592 1.00 0.00 H new ATOM 0 HE3 TRP A 233 -7.877 2.116 0.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 233 -10.488 3.800 -3.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 233 -9.516 0.642 -0.406 1.00 0.00 H new ATOM 0 HH2 TRP A 233 -10.819 1.475 -2.345 1.00 0.00 H new ATOM 1006 N GLU A 234 -6.300 4.182 4.126 1.00 0.00 N ATOM 1007 CA GLU A 234 -5.459 3.847 5.318 1.00 0.00 C ATOM 1008 C GLU A 234 -5.128 2.351 5.305 1.00 0.00 C ATOM 1009 O GLU A 234 -5.975 1.529 5.020 1.00 0.00 O ATOM 1010 CB GLU A 234 -6.248 4.163 6.588 1.00 0.00 C ATOM 1011 CG GLU A 234 -6.462 5.668 6.698 1.00 0.00 C ATOM 1012 CD GLU A 234 -7.102 5.987 8.047 1.00 0.00 C ATOM 1013 OE1 GLU A 234 -8.288 5.737 8.190 1.00 0.00 O ATOM 1014 OE2 GLU A 234 -6.403 6.490 8.910 1.00 0.00 O ATOM 0 H GLU A 234 -7.010 3.487 3.894 1.00 0.00 H new ATOM 0 HA GLU A 234 -4.538 4.430 5.290 1.00 0.00 H new ATOM 0 HB2 GLU A 234 -7.209 3.650 6.568 1.00 0.00 H new ATOM 0 HB3 GLU A 234 -5.710 3.797 7.463 1.00 0.00 H new ATOM 0 HG2 GLU A 234 -5.510 6.191 6.601 1.00 0.00 H new ATOM 0 HG3 GLU A 234 -7.102 6.017 5.887 1.00 0.00 H new ATOM 1021 N LEU A 235 -3.916 1.982 5.632 1.00 0.00 N ATOM 1022 CA LEU A 235 -3.572 0.528 5.646 1.00 0.00 C ATOM 1023 C LEU A 235 -4.322 -0.149 6.792 1.00 0.00 C ATOM 1024 O LEU A 235 -3.969 0.009 7.939 1.00 0.00 O ATOM 1025 CB LEU A 235 -2.068 0.337 5.878 1.00 0.00 C ATOM 1026 CG LEU A 235 -1.258 0.923 4.719 1.00 0.00 C ATOM 1027 CD1 LEU A 235 0.234 0.792 5.044 1.00 0.00 C ATOM 1028 CD2 LEU A 235 -1.571 0.168 3.414 1.00 0.00 C ATOM 0 H LEU A 235 -3.158 2.615 5.887 1.00 0.00 H new ATOM 0 HA LEU A 235 -3.851 0.092 4.687 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -1.776 0.819 6.811 1.00 0.00 H new ATOM 0 HB3 LEU A 235 -1.844 -0.725 5.983 1.00 0.00 H new ATOM 0 HG LEU A 235 -1.522 1.972 4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 235 0.822 1.206 4.225 1.00 0.00 H new ATOM 0 HD12 LEU A 235 0.456 1.336 5.962 1.00 0.00 H new ATOM 0 HD13 LEU A 235 0.487 -0.260 5.176 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -0.988 0.595 2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -1.313 -0.885 3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -2.633 0.258 3.187 1.00 0.00 H new ATOM 1040 N LYS A 236 -5.342 -0.908 6.492 1.00 0.00 N ATOM 1041 CA LYS A 236 -6.112 -1.602 7.565 1.00 0.00 C ATOM 1042 C LYS A 236 -5.152 -2.493 8.390 1.00 0.00 C ATOM 1043 O LYS A 236 -4.664 -3.486 7.885 1.00 0.00 O ATOM 1044 CB LYS A 236 -7.165 -2.486 6.883 1.00 0.00 C ATOM 1045 CG LYS A 236 -8.236 -2.928 7.882 1.00 0.00 C ATOM 1046 CD LYS A 236 -9.428 -3.495 7.106 1.00 0.00 C ATOM 1047 CE LYS A 236 -10.522 -3.922 8.081 1.00 0.00 C ATOM 1048 NZ LYS A 236 -11.021 -2.722 8.807 1.00 0.00 N ATOM 0 H LYS A 236 -5.677 -1.078 5.544 1.00 0.00 H new ATOM 0 HA LYS A 236 -6.586 -0.879 8.229 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -7.630 -1.938 6.064 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -6.684 -3.362 6.448 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -7.833 -3.681 8.559 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -8.552 -2.084 8.496 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -9.815 -2.745 6.416 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -9.111 -4.347 6.505 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -11.339 -4.403 7.543 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -10.131 -4.654 8.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -11.921 -2.950 9.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -10.322 -2.432 9.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -11.170 -1.945 8.132 1.00 0.00 H new ATOM 1062 N PRO A 237 -4.867 -2.165 9.642 1.00 0.00 N ATOM 1063 CA PRO A 237 -3.951 -2.980 10.493 1.00 0.00 C ATOM 1064 C PRO A 237 -4.696 -4.064 11.278 1.00 0.00 C ATOM 1065 O PRO A 237 -4.137 -4.733 12.122 1.00 0.00 O ATOM 1066 CB PRO A 237 -3.372 -1.942 11.448 1.00 0.00 C ATOM 1067 CG PRO A 237 -4.483 -0.954 11.663 1.00 0.00 C ATOM 1068 CD PRO A 237 -5.372 -0.999 10.401 1.00 0.00 C ATOM 0 HA PRO A 237 -3.206 -3.517 9.905 1.00 0.00 H new ATOM 0 HB2 PRO A 237 -3.062 -2.399 12.388 1.00 0.00 H new ATOM 0 HB3 PRO A 237 -2.492 -1.461 11.022 1.00 0.00 H new ATOM 0 HG2 PRO A 237 -5.060 -1.209 12.552 1.00 0.00 H new ATOM 0 HG3 PRO A 237 -4.084 0.048 11.819 1.00 0.00 H new ATOM 0 HD2 PRO A 237 -6.424 -1.117 10.659 1.00 0.00 H new ATOM 0 HD3 PRO A 237 -5.288 -0.080 9.821 1.00 0.00 H new ATOM 1076 N GLU A 238 -5.959 -4.196 11.040 1.00 0.00 N ATOM 1077 CA GLU A 238 -6.770 -5.186 11.801 1.00 0.00 C ATOM 1078 C GLU A 238 -6.168 -6.594 11.722 1.00 0.00 C ATOM 1079 O GLU A 238 -6.155 -7.309 12.704 1.00 0.00 O ATOM 1080 CB GLU A 238 -8.193 -5.207 11.234 1.00 0.00 C ATOM 1081 CG GLU A 238 -8.865 -3.853 11.493 1.00 0.00 C ATOM 1082 CD GLU A 238 -10.385 -3.987 11.353 1.00 0.00 C ATOM 1083 OE1 GLU A 238 -10.836 -5.062 10.993 1.00 0.00 O ATOM 1084 OE2 GLU A 238 -11.072 -3.013 11.616 1.00 0.00 O ATOM 0 H GLU A 238 -6.477 -3.658 10.345 1.00 0.00 H new ATOM 0 HA GLU A 238 -6.779 -4.886 12.849 1.00 0.00 H new ATOM 0 HB2 GLU A 238 -8.167 -5.414 10.164 1.00 0.00 H new ATOM 0 HB3 GLU A 238 -8.770 -6.006 11.699 1.00 0.00 H new ATOM 0 HG2 GLU A 238 -8.613 -3.498 12.492 1.00 0.00 H new ATOM 0 HG3 GLU A 238 -8.491 -3.111 10.788 1.00 0.00 H new ATOM 1091 N TYR A 239 -5.696 -7.016 10.576 1.00 0.00 N ATOM 1092 CA TYR A 239 -5.124 -8.401 10.457 1.00 0.00 C ATOM 1093 C TYR A 239 -3.773 -8.400 9.720 1.00 0.00 C ATOM 1094 O TYR A 239 -3.320 -9.433 9.267 1.00 0.00 O ATOM 1095 CB TYR A 239 -6.122 -9.270 9.698 1.00 0.00 C ATOM 1096 CG TYR A 239 -6.269 -8.732 8.302 1.00 0.00 C ATOM 1097 CD1 TYR A 239 -7.162 -7.687 8.052 1.00 0.00 C ATOM 1098 CD2 TYR A 239 -5.506 -9.268 7.261 1.00 0.00 C ATOM 1099 CE1 TYR A 239 -7.298 -7.177 6.760 1.00 0.00 C ATOM 1100 CE2 TYR A 239 -5.638 -8.760 5.967 1.00 0.00 C ATOM 1101 CZ TYR A 239 -6.535 -7.714 5.716 1.00 0.00 C ATOM 1102 OH TYR A 239 -6.668 -7.209 4.441 1.00 0.00 O ATOM 0 H TYR A 239 -5.680 -6.466 9.717 1.00 0.00 H new ATOM 0 HA TYR A 239 -4.949 -8.794 11.458 1.00 0.00 H new ATOM 0 HB2 TYR A 239 -5.777 -10.304 9.670 1.00 0.00 H new ATOM 0 HB3 TYR A 239 -7.086 -9.269 10.206 1.00 0.00 H new ATOM 0 HD1 TYR A 239 -7.748 -7.273 8.860 1.00 0.00 H new ATOM 0 HD2 TYR A 239 -4.815 -10.074 7.457 1.00 0.00 H new ATOM 0 HE1 TYR A 239 -7.990 -6.371 6.566 1.00 0.00 H new ATOM 0 HE2 TYR A 239 -5.049 -9.173 5.161 1.00 0.00 H new ATOM 0 HH TYR A 239 -7.524 -6.739 4.363 1.00 0.00 H new ATOM 1112 N ARG A 240 -3.109 -7.279 9.602 1.00 0.00 N ATOM 1113 CA ARG A 240 -1.789 -7.293 8.898 1.00 0.00 C ATOM 1114 C ARG A 240 -0.732 -7.912 9.810 1.00 0.00 C ATOM 1115 O ARG A 240 -0.348 -7.353 10.819 1.00 0.00 O ATOM 1116 CB ARG A 240 -1.363 -5.861 8.503 1.00 0.00 C ATOM 1117 CG ARG A 240 -2.037 -5.430 7.172 1.00 0.00 C ATOM 1118 CD ARG A 240 -1.060 -5.605 5.988 1.00 0.00 C ATOM 1119 NE ARG A 240 -0.795 -7.055 5.760 1.00 0.00 N ATOM 1120 CZ ARG A 240 -0.224 -7.448 4.653 1.00 0.00 C ATOM 1121 NH1 ARG A 240 0.108 -6.572 3.744 1.00 0.00 N ATOM 1122 NH2 ARG A 240 0.011 -8.716 4.452 1.00 0.00 N ATOM 0 H ARG A 240 -3.414 -6.372 9.954 1.00 0.00 H new ATOM 0 HA ARG A 240 -1.885 -7.887 7.989 1.00 0.00 H new ATOM 0 HB2 ARG A 240 -1.636 -5.164 9.296 1.00 0.00 H new ATOM 0 HB3 ARG A 240 -0.279 -5.816 8.398 1.00 0.00 H new ATOM 0 HG2 ARG A 240 -2.934 -6.026 7.002 1.00 0.00 H new ATOM 0 HG3 ARG A 240 -2.354 -4.389 7.239 1.00 0.00 H new ATOM 0 HD2 ARG A 240 -1.481 -5.157 5.088 1.00 0.00 H new ATOM 0 HD3 ARG A 240 -0.126 -5.084 6.196 1.00 0.00 H new ATOM 0 HE ARG A 240 -1.060 -7.740 6.468 1.00 0.00 H new ATOM 0 HH11 ARG A 240 -0.078 -5.581 3.898 1.00 0.00 H new ATOM 0 HH12 ARG A 240 0.554 -6.878 2.879 1.00 0.00 H new ATOM 0 HH21 ARG A 240 -0.251 -9.402 5.160 1.00 0.00 H new ATOM 0 HH22 ARG A 240 0.457 -9.021 3.587 1.00 0.00 H new ATOM 1136 N HIS A 241 -0.256 -9.068 9.441 1.00 0.00 N ATOM 1137 CA HIS A 241 0.784 -9.758 10.244 1.00 0.00 C ATOM 1138 C HIS A 241 2.147 -9.224 9.812 1.00 0.00 C ATOM 1139 O HIS A 241 3.184 -9.649 10.290 1.00 0.00 O ATOM 1140 CB HIS A 241 0.705 -11.259 9.953 1.00 0.00 C ATOM 1141 CG HIS A 241 -0.674 -11.769 10.290 1.00 0.00 C ATOM 1142 ND1 HIS A 241 -1.019 -12.177 11.569 1.00 0.00 N ATOM 1143 CD2 HIS A 241 -1.805 -11.945 9.524 1.00 0.00 C ATOM 1144 CE1 HIS A 241 -2.302 -12.575 11.538 1.00 0.00 C ATOM 1145 NE2 HIS A 241 -2.830 -12.456 10.317 1.00 0.00 N ATOM 0 H HIS A 241 -0.550 -9.570 8.603 1.00 0.00 H new ATOM 0 HA HIS A 241 0.636 -9.584 11.310 1.00 0.00 H new ATOM 0 HB2 HIS A 241 0.927 -11.448 8.903 1.00 0.00 H new ATOM 0 HB3 HIS A 241 1.454 -11.793 10.538 1.00 0.00 H new ATOM 0 HD2 HIS A 241 -1.885 -11.721 8.470 1.00 0.00 H new ATOM 0 HE1 HIS A 241 -2.841 -12.946 12.397 1.00 0.00 H new ATOM 0 HE2 HIS A 241 -3.780 -12.689 10.027 1.00 0.00 H new ATOM 1153 N TYR A 242 2.138 -8.300 8.885 1.00 0.00 N ATOM 1154 CA TYR A 242 3.402 -7.707 8.352 1.00 0.00 C ATOM 1155 C TYR A 242 3.415 -6.193 8.596 1.00 0.00 C ATOM 1156 O TYR A 242 2.466 -5.497 8.288 1.00 0.00 O ATOM 1157 CB TYR A 242 3.451 -7.985 6.844 1.00 0.00 C ATOM 1158 CG TYR A 242 4.543 -7.168 6.203 1.00 0.00 C ATOM 1159 CD1 TYR A 242 5.852 -7.657 6.151 1.00 0.00 C ATOM 1160 CD2 TYR A 242 4.241 -5.912 5.666 1.00 0.00 C ATOM 1161 CE1 TYR A 242 6.859 -6.886 5.559 1.00 0.00 C ATOM 1162 CE2 TYR A 242 5.243 -5.144 5.074 1.00 0.00 C ATOM 1163 CZ TYR A 242 6.556 -5.630 5.020 1.00 0.00 C ATOM 1164 OH TYR A 242 7.551 -4.870 4.439 1.00 0.00 O ATOM 0 H TYR A 242 1.288 -7.923 8.466 1.00 0.00 H new ATOM 0 HA TYR A 242 4.265 -8.146 8.853 1.00 0.00 H new ATOM 0 HB2 TYR A 242 3.628 -9.046 6.667 1.00 0.00 H new ATOM 0 HB3 TYR A 242 2.490 -7.742 6.390 1.00 0.00 H new ATOM 0 HD1 TYR A 242 6.085 -8.626 6.566 1.00 0.00 H new ATOM 0 HD2 TYR A 242 3.229 -5.536 5.710 1.00 0.00 H new ATOM 0 HE1 TYR A 242 7.871 -7.261 5.518 1.00 0.00 H new ATOM 0 HE2 TYR A 242 5.007 -4.176 4.658 1.00 0.00 H new ATOM 0 HH TYR A 242 7.221 -4.486 3.600 1.00 0.00 H new ATOM 1174 N GLN A 243 4.498 -5.678 9.132 1.00 0.00 N ATOM 1175 CA GLN A 243 4.604 -4.206 9.389 1.00 0.00 C ATOM 1176 C GLN A 243 5.914 -3.685 8.790 1.00 0.00 C ATOM 1177 O GLN A 243 6.014 -2.541 8.393 1.00 0.00 O ATOM 1178 CB GLN A 243 4.603 -3.949 10.897 1.00 0.00 C ATOM 1179 CG GLN A 243 3.273 -4.414 11.490 1.00 0.00 C ATOM 1180 CD GLN A 243 3.260 -5.941 11.574 1.00 0.00 C ATOM 1181 OE1 GLN A 243 4.295 -6.562 11.709 1.00 0.00 O ATOM 1182 NE2 GLN A 243 2.123 -6.575 11.499 1.00 0.00 N ATOM 0 H GLN A 243 5.319 -6.219 9.404 1.00 0.00 H new ATOM 0 HA GLN A 243 3.757 -3.694 8.932 1.00 0.00 H new ATOM 0 HB2 GLN A 243 5.430 -4.481 11.368 1.00 0.00 H new ATOM 0 HB3 GLN A 243 4.752 -2.888 11.096 1.00 0.00 H new ATOM 0 HG2 GLN A 243 3.134 -3.983 12.482 1.00 0.00 H new ATOM 0 HG3 GLN A 243 2.445 -4.066 10.872 1.00 0.00 H new ATOM 0 HE21 GLN A 243 1.254 -6.053 11.386 1.00 0.00 H new ATOM 0 HE22 GLN A 243 2.102 -7.593 11.554 1.00 0.00 H new TER 1191 GLN A 243