USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=12 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= -1.1! C(o=-1.4!,f=-1.4!) USER MOD Set 1.2: A 232 THR OG1 : rot 180:sc= -0.278 USER MOD Set 2.1: A 206 THR OG1 : rot 28:sc= 0.354 USER MOD Set 2.2: A 208 GLN : amide:sc= -2.19 K(o=-1.8,f=-4.3!) USER MOD Single : A 180 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 181 GLN : amide:sc= -0.29 X(o=-0.29,f=-0.12) USER MOD Single : A 182 HIS : no HD1:sc=-0.00702 X(o=-0.007,f=-0.04) USER MOD Single : A 186 MET CE :methyl -161:sc= -0.344 (180deg=-1.4!) USER MOD Single : A 189 SER OG : rot -43:sc= 0.237 USER MOD Single : A 193 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 194 HIS : no HD1:sc= -1.81 K(o=-1.8,f=-1.2) USER MOD Single : A 195 GLN : amide:sc= -0.347 X(o=-0.35,f=-0.22) USER MOD Single : A 196 TYR OH : rot 180:sc= 0 USER MOD Single : A 197 TYR OH : rot 70:sc= 0.67 USER MOD Single : A 198 ASN : amide:sc= -5.78! C(o=-5.8!,f=-19!) USER MOD Single : A 200 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 207 LYS NZ :NH3+ 168:sc=-0.000397 (180deg=-0.183) USER MOD Single : A 212 TYR OH : rot 68:sc= 0.793 USER MOD Single : A 214 LYS NZ :NH3+ -175:sc= -1.56 (180deg=-1.61) USER MOD Single : A 218 LYS NZ :NH3+ -163:sc= -0.0109 (180deg=-0.223) USER MOD Single : A 223 GLN : amide:sc= -14.1! C(o=-14!,f=-3.3!) USER MOD Single : A 226 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 229 HIS : no HD1:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 231 ASN : amide:sc= -0.0644 X(o=-0.064,f=-0.044) USER MOD Single : A 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 239 TYR OH : rot -23:sc= -0.695 USER MOD Single : A 241 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 242 TYR OH : rot 127:sc= 0.834 USER MOD Single : A 243 GLN : amide:sc= 0.0578 X(o=0.058,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 175 3.910 -14.038 -10.073 1.00 0.00 N ATOM 2 CA ARG A 175 3.527 -13.186 -11.239 1.00 0.00 C ATOM 3 C ARG A 175 3.771 -11.708 -10.908 1.00 0.00 C ATOM 4 O ARG A 175 4.792 -11.345 -10.353 1.00 0.00 O ATOM 5 CB ARG A 175 2.048 -13.412 -11.582 1.00 0.00 C ATOM 6 CG ARG A 175 1.158 -13.143 -10.355 1.00 0.00 C ATOM 7 CD ARG A 175 -0.272 -12.836 -10.818 1.00 0.00 C ATOM 8 NE ARG A 175 -0.708 -13.861 -11.807 1.00 0.00 N ATOM 9 CZ ARG A 175 -1.975 -13.991 -12.096 1.00 0.00 C ATOM 10 NH1 ARG A 175 -2.864 -13.251 -11.493 1.00 0.00 N ATOM 11 NH2 ARG A 175 -2.353 -14.863 -12.990 1.00 0.00 N ATOM 0 HA ARG A 175 4.137 -13.460 -12.100 1.00 0.00 H new ATOM 0 HB2 ARG A 175 1.755 -12.755 -12.401 1.00 0.00 H new ATOM 0 HB3 ARG A 175 1.902 -14.436 -11.926 1.00 0.00 H new ATOM 0 HG2 ARG A 175 1.160 -14.010 -9.694 1.00 0.00 H new ATOM 0 HG3 ARG A 175 1.554 -12.305 -9.782 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -0.948 -12.830 -9.963 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -0.315 -11.843 -11.265 1.00 0.00 H new ATOM 0 HE ARG A 175 -0.017 -14.461 -12.258 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -2.570 -12.569 -10.794 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -3.853 -13.355 -11.721 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -1.659 -15.442 -13.462 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -3.342 -14.965 -13.216 1.00 0.00 H new ATOM 25 N ALA A 176 2.837 -10.854 -11.239 1.00 0.00 N ATOM 26 CA ALA A 176 3.004 -9.404 -10.942 1.00 0.00 C ATOM 27 C ALA A 176 2.949 -9.196 -9.430 1.00 0.00 C ATOM 28 O ALA A 176 2.901 -8.082 -8.950 1.00 0.00 O ATOM 29 CB ALA A 176 1.878 -8.607 -11.607 1.00 0.00 C ATOM 0 H ALA A 176 1.963 -11.102 -11.704 1.00 0.00 H new ATOM 0 HA ALA A 176 3.963 -9.060 -11.329 1.00 0.00 H new ATOM 0 HB1 ALA A 176 2.004 -7.547 -11.387 1.00 0.00 H new ATOM 0 HB2 ALA A 176 1.911 -8.761 -12.686 1.00 0.00 H new ATOM 0 HB3 ALA A 176 0.916 -8.946 -11.222 1.00 0.00 H new ATOM 35 N ARG A 177 2.950 -10.259 -8.673 1.00 0.00 N ATOM 36 CA ARG A 177 2.893 -10.105 -7.195 1.00 0.00 C ATOM 37 C ARG A 177 4.204 -9.505 -6.698 1.00 0.00 C ATOM 38 O ARG A 177 4.284 -8.996 -5.598 1.00 0.00 O ATOM 39 CB ARG A 177 2.667 -11.461 -6.536 1.00 0.00 C ATOM 40 CG ARG A 177 2.493 -11.266 -5.023 1.00 0.00 C ATOM 41 CD ARG A 177 1.999 -12.568 -4.382 1.00 0.00 C ATOM 42 NE ARG A 177 0.840 -13.119 -5.164 1.00 0.00 N ATOM 43 CZ ARG A 177 -0.240 -12.415 -5.374 1.00 0.00 C ATOM 44 NH1 ARG A 177 -0.426 -11.292 -4.738 1.00 0.00 N ATOM 45 NH2 ARG A 177 -1.166 -12.863 -6.180 1.00 0.00 N ATOM 0 H ARG A 177 2.988 -11.220 -9.012 1.00 0.00 H new ATOM 0 HA ARG A 177 2.066 -9.444 -6.935 1.00 0.00 H new ATOM 0 HB2 ARG A 177 1.783 -11.940 -6.957 1.00 0.00 H new ATOM 0 HB3 ARG A 177 3.512 -12.120 -6.735 1.00 0.00 H new ATOM 0 HG2 ARG A 177 3.440 -10.967 -4.575 1.00 0.00 H new ATOM 0 HG3 ARG A 177 1.781 -10.463 -4.831 1.00 0.00 H new ATOM 0 HD2 ARG A 177 2.808 -13.298 -4.352 1.00 0.00 H new ATOM 0 HD3 ARG A 177 1.698 -12.384 -3.351 1.00 0.00 H new ATOM 0 HE ARG A 177 0.898 -14.065 -5.540 1.00 0.00 H new ATOM 0 HH11 ARG A 177 0.273 -10.960 -4.074 1.00 0.00 H new ATOM 0 HH12 ARG A 177 -1.271 -10.745 -4.905 1.00 0.00 H new ATOM 0 HH21 ARG A 177 -1.045 -13.763 -6.645 1.00 0.00 H new ATOM 0 HH22 ARG A 177 -2.009 -12.313 -6.344 1.00 0.00 H new ATOM 59 N ALA A 178 5.235 -9.541 -7.498 1.00 0.00 N ATOM 60 CA ALA A 178 6.519 -8.943 -7.050 1.00 0.00 C ATOM 61 C ALA A 178 6.260 -7.471 -6.773 1.00 0.00 C ATOM 62 O ALA A 178 6.642 -6.933 -5.752 1.00 0.00 O ATOM 63 CB ALA A 178 7.557 -9.059 -8.161 1.00 0.00 C ATOM 0 H ALA A 178 5.242 -9.954 -8.431 1.00 0.00 H new ATOM 0 HA ALA A 178 6.890 -9.456 -6.162 1.00 0.00 H new ATOM 0 HB1 ALA A 178 8.497 -8.619 -7.828 1.00 0.00 H new ATOM 0 HB2 ALA A 178 7.714 -10.110 -8.404 1.00 0.00 H new ATOM 0 HB3 ALA A 178 7.203 -8.531 -9.046 1.00 0.00 H new ATOM 69 N ASP A 179 5.581 -6.824 -7.680 1.00 0.00 N ATOM 70 CA ASP A 179 5.252 -5.392 -7.481 1.00 0.00 C ATOM 71 C ASP A 179 4.394 -5.263 -6.227 1.00 0.00 C ATOM 72 O ASP A 179 4.607 -4.417 -5.404 1.00 0.00 O ATOM 73 CB ASP A 179 4.462 -4.878 -8.684 1.00 0.00 C ATOM 74 CG ASP A 179 5.396 -4.757 -9.885 1.00 0.00 C ATOM 75 OD1 ASP A 179 6.558 -4.451 -9.676 1.00 0.00 O ATOM 76 OD2 ASP A 179 4.934 -4.965 -10.995 1.00 0.00 O ATOM 0 H ASP A 179 5.241 -7.230 -8.552 1.00 0.00 H new ATOM 0 HA ASP A 179 6.168 -4.810 -7.375 1.00 0.00 H new ATOM 0 HB2 ASP A 179 3.642 -5.559 -8.913 1.00 0.00 H new ATOM 0 HB3 ASP A 179 4.018 -3.909 -8.455 1.00 0.00 H new ATOM 81 N LYS A 180 3.419 -6.109 -6.079 1.00 0.00 N ATOM 82 CA LYS A 180 2.540 -6.025 -4.878 1.00 0.00 C ATOM 83 C LYS A 180 3.374 -5.951 -3.592 1.00 0.00 C ATOM 84 O LYS A 180 3.285 -4.999 -2.845 1.00 0.00 O ATOM 85 CB LYS A 180 1.645 -7.269 -4.820 1.00 0.00 C ATOM 86 CG LYS A 180 0.712 -7.185 -3.605 1.00 0.00 C ATOM 87 CD LYS A 180 -0.319 -8.320 -3.668 1.00 0.00 C ATOM 88 CE LYS A 180 -1.452 -8.049 -2.673 1.00 0.00 C ATOM 89 NZ LYS A 180 -2.392 -9.206 -2.671 1.00 0.00 N ATOM 0 H LYS A 180 3.190 -6.856 -6.735 1.00 0.00 H new ATOM 0 HA LYS A 180 1.934 -5.122 -4.955 1.00 0.00 H new ATOM 0 HB2 LYS A 180 1.058 -7.349 -5.735 1.00 0.00 H new ATOM 0 HB3 LYS A 180 2.259 -8.167 -4.756 1.00 0.00 H new ATOM 0 HG2 LYS A 180 1.291 -7.256 -2.684 1.00 0.00 H new ATOM 0 HG3 LYS A 180 0.205 -6.220 -3.589 1.00 0.00 H new ATOM 0 HD2 LYS A 180 -0.721 -8.402 -4.678 1.00 0.00 H new ATOM 0 HD3 LYS A 180 0.160 -9.272 -3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 180 -1.045 -7.895 -1.674 1.00 0.00 H new ATOM 0 HE3 LYS A 180 -1.981 -7.136 -2.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 -3.163 -9.026 -1.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 -2.788 -9.333 -3.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 -1.881 -10.068 -2.391 1.00 0.00 H new ATOM 103 N GLN A 181 4.175 -6.949 -3.316 1.00 0.00 N ATOM 104 CA GLN A 181 4.987 -6.933 -2.059 1.00 0.00 C ATOM 105 C GLN A 181 5.896 -5.698 -2.049 1.00 0.00 C ATOM 106 O GLN A 181 6.010 -5.002 -1.059 1.00 0.00 O ATOM 107 CB GLN A 181 5.835 -8.214 -2.007 1.00 0.00 C ATOM 108 CG GLN A 181 6.557 -8.324 -0.664 1.00 0.00 C ATOM 109 CD GLN A 181 5.544 -8.611 0.446 1.00 0.00 C ATOM 110 OE1 GLN A 181 5.166 -9.744 0.658 1.00 0.00 O ATOM 111 NE2 GLN A 181 5.077 -7.625 1.164 1.00 0.00 N ATOM 0 H GLN A 181 4.302 -7.772 -3.904 1.00 0.00 H new ATOM 0 HA GLN A 181 4.332 -6.891 -1.189 1.00 0.00 H new ATOM 0 HB2 GLN A 181 5.198 -9.085 -2.156 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.563 -8.209 -2.818 1.00 0.00 H new ATOM 0 HG2 GLN A 181 7.301 -9.119 -0.705 1.00 0.00 H new ATOM 0 HG3 GLN A 181 7.091 -7.398 -0.451 1.00 0.00 H new ATOM 0 HE21 GLN A 181 5.393 -6.671 0.988 1.00 0.00 H new ATOM 0 HE22 GLN A 181 4.396 -7.809 1.901 1.00 0.00 H new ATOM 120 N HIS A 182 6.519 -5.415 -3.155 1.00 0.00 N ATOM 121 CA HIS A 182 7.405 -4.223 -3.251 1.00 0.00 C ATOM 122 C HIS A 182 6.556 -2.946 -3.168 1.00 0.00 C ATOM 123 O HIS A 182 6.952 -1.949 -2.592 1.00 0.00 O ATOM 124 CB HIS A 182 8.138 -4.298 -4.587 1.00 0.00 C ATOM 125 CG HIS A 182 9.055 -3.124 -4.746 1.00 0.00 C ATOM 126 ND1 HIS A 182 9.949 -2.736 -3.762 1.00 0.00 N ATOM 127 CD2 HIS A 182 9.217 -2.240 -5.777 1.00 0.00 C ATOM 128 CE1 HIS A 182 10.603 -1.651 -4.217 1.00 0.00 C ATOM 129 NE2 HIS A 182 10.196 -1.305 -5.444 1.00 0.00 N ATOM 0 H HIS A 182 6.452 -5.967 -4.010 1.00 0.00 H new ATOM 0 HA HIS A 182 8.126 -4.203 -2.434 1.00 0.00 H new ATOM 0 HB2 HIS A 182 8.710 -5.224 -4.644 1.00 0.00 H new ATOM 0 HB3 HIS A 182 7.417 -4.318 -5.404 1.00 0.00 H new ATOM 0 HD2 HIS A 182 8.670 -2.263 -6.708 1.00 0.00 H new ATOM 0 HE1 HIS A 182 11.363 -1.124 -3.660 1.00 0.00 H new ATOM 0 HE2 HIS A 182 10.530 -0.526 -6.012 1.00 0.00 H new ATOM 137 N VAL A 183 5.384 -2.980 -3.737 1.00 0.00 N ATOM 138 CA VAL A 183 4.489 -1.794 -3.709 1.00 0.00 C ATOM 139 C VAL A 183 4.029 -1.549 -2.271 1.00 0.00 C ATOM 140 O VAL A 183 3.934 -0.419 -1.836 1.00 0.00 O ATOM 141 CB VAL A 183 3.276 -2.054 -4.624 1.00 0.00 C ATOM 142 CG1 VAL A 183 2.194 -0.989 -4.373 1.00 0.00 C ATOM 143 CG2 VAL A 183 3.723 -2.003 -6.106 1.00 0.00 C ATOM 0 H VAL A 183 5.005 -3.791 -4.226 1.00 0.00 H new ATOM 0 HA VAL A 183 5.020 -0.912 -4.067 1.00 0.00 H new ATOM 0 HB VAL A 183 2.865 -3.039 -4.403 1.00 0.00 H new ATOM 0 HG11 VAL A 183 1.339 -1.178 -5.023 1.00 0.00 H new ATOM 0 HG12 VAL A 183 1.875 -1.033 -3.332 1.00 0.00 H new ATOM 0 HG13 VAL A 183 2.600 -0.000 -4.587 1.00 0.00 H new ATOM 0 HG21 VAL A 183 2.864 -2.187 -6.752 1.00 0.00 H new ATOM 0 HG22 VAL A 183 4.139 -1.020 -6.327 1.00 0.00 H new ATOM 0 HG23 VAL A 183 4.481 -2.766 -6.284 1.00 0.00 H new ATOM 153 N LEU A 184 3.746 -2.586 -1.522 1.00 0.00 N ATOM 154 CA LEU A 184 3.302 -2.363 -0.118 1.00 0.00 C ATOM 155 C LEU A 184 4.397 -1.601 0.634 1.00 0.00 C ATOM 156 O LEU A 184 4.120 -0.695 1.386 1.00 0.00 O ATOM 157 CB LEU A 184 3.019 -3.707 0.575 1.00 0.00 C ATOM 158 CG LEU A 184 1.750 -4.356 -0.013 1.00 0.00 C ATOM 159 CD1 LEU A 184 1.581 -5.757 0.587 1.00 0.00 C ATOM 160 CD2 LEU A 184 0.506 -3.502 0.311 1.00 0.00 C ATOM 0 H LEU A 184 3.803 -3.560 -1.818 1.00 0.00 H new ATOM 0 HA LEU A 184 2.381 -1.779 -0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 184 3.870 -4.376 0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 184 2.893 -3.552 1.647 1.00 0.00 H new ATOM 0 HG LEU A 184 1.853 -4.423 -1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 184 0.685 -6.223 0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 184 2.452 -6.365 0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 184 1.486 -5.680 1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -0.380 -3.975 -0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 184 0.393 -3.420 1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 184 0.626 -2.507 -0.118 1.00 0.00 H new ATOM 172 N ASP A 185 5.639 -1.940 0.416 1.00 0.00 N ATOM 173 CA ASP A 185 6.747 -1.217 1.111 1.00 0.00 C ATOM 174 C ASP A 185 6.649 0.280 0.808 1.00 0.00 C ATOM 175 O ASP A 185 6.920 1.114 1.649 1.00 0.00 O ATOM 176 CB ASP A 185 8.088 -1.751 0.612 1.00 0.00 C ATOM 177 CG ASP A 185 8.302 -3.163 1.155 1.00 0.00 C ATOM 178 OD1 ASP A 185 7.623 -3.518 2.102 1.00 0.00 O ATOM 179 OD2 ASP A 185 9.137 -3.865 0.614 1.00 0.00 O ATOM 0 H ASP A 185 5.936 -2.686 -0.213 1.00 0.00 H new ATOM 0 HA ASP A 185 6.668 -1.374 2.187 1.00 0.00 H new ATOM 0 HB2 ASP A 185 8.106 -1.761 -0.478 1.00 0.00 H new ATOM 0 HB3 ASP A 185 8.897 -1.097 0.938 1.00 0.00 H new ATOM 184 N MET A 186 6.271 0.625 -0.391 1.00 0.00 N ATOM 185 CA MET A 186 6.153 2.067 -0.751 1.00 0.00 C ATOM 186 C MET A 186 5.023 2.699 0.065 1.00 0.00 C ATOM 187 O MET A 186 5.064 3.862 0.412 1.00 0.00 O ATOM 188 CB MET A 186 5.831 2.197 -2.248 1.00 0.00 C ATOM 189 CG MET A 186 6.979 1.629 -3.088 1.00 0.00 C ATOM 190 SD MET A 186 8.471 2.621 -2.828 1.00 0.00 S ATOM 191 CE MET A 186 7.880 4.146 -3.604 1.00 0.00 C ATOM 0 H MET A 186 6.038 -0.029 -1.138 1.00 0.00 H new ATOM 0 HA MET A 186 7.093 2.575 -0.535 1.00 0.00 H new ATOM 0 HB2 MET A 186 4.907 1.666 -2.476 1.00 0.00 H new ATOM 0 HB3 MET A 186 5.668 3.244 -2.503 1.00 0.00 H new ATOM 0 HG2 MET A 186 7.167 0.592 -2.811 1.00 0.00 H new ATOM 0 HG3 MET A 186 6.707 1.633 -4.144 1.00 0.00 H new ATOM 0 HE1 MET A 186 8.731 4.778 -3.859 1.00 0.00 H new ATOM 0 HE2 MET A 186 7.325 3.902 -4.510 1.00 0.00 H new ATOM 0 HE3 MET A 186 7.228 4.678 -2.911 1.00 0.00 H new ATOM 201 N LEU A 187 4.004 1.940 0.361 1.00 0.00 N ATOM 202 CA LEU A 187 2.860 2.491 1.142 1.00 0.00 C ATOM 203 C LEU A 187 3.308 2.830 2.565 1.00 0.00 C ATOM 204 O LEU A 187 2.993 3.879 3.085 1.00 0.00 O ATOM 205 CB LEU A 187 1.748 1.448 1.220 1.00 0.00 C ATOM 206 CG LEU A 187 1.325 0.996 -0.180 1.00 0.00 C ATOM 207 CD1 LEU A 187 0.139 0.041 -0.042 1.00 0.00 C ATOM 208 CD2 LEU A 187 0.926 2.203 -1.042 1.00 0.00 C ATOM 0 H LEU A 187 3.914 0.959 0.095 1.00 0.00 H new ATOM 0 HA LEU A 187 2.500 3.392 0.646 1.00 0.00 H new ATOM 0 HB2 LEU A 187 2.090 0.588 1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 187 0.890 1.864 1.747 1.00 0.00 H new ATOM 0 HG LEU A 187 2.160 0.494 -0.668 1.00 0.00 H new ATOM 0 HD11 LEU A 187 -0.177 -0.292 -1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 187 0.434 -0.822 0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 187 -0.687 0.555 0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 187 0.629 1.860 -2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 187 0.092 2.725 -0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 187 1.774 2.882 -1.132 1.00 0.00 H new ATOM 220 N PHE A 188 4.040 1.960 3.208 1.00 0.00 N ATOM 221 CA PHE A 188 4.479 2.281 4.591 1.00 0.00 C ATOM 222 C PHE A 188 5.269 3.582 4.553 1.00 0.00 C ATOM 223 O PHE A 188 5.103 4.435 5.394 1.00 0.00 O ATOM 224 CB PHE A 188 5.361 1.159 5.163 1.00 0.00 C ATOM 225 CG PHE A 188 4.492 0.007 5.621 1.00 0.00 C ATOM 226 CD1 PHE A 188 3.995 -0.907 4.691 1.00 0.00 C ATOM 227 CD2 PHE A 188 4.181 -0.142 6.979 1.00 0.00 C ATOM 228 CE1 PHE A 188 3.187 -1.969 5.111 1.00 0.00 C ATOM 229 CE2 PHE A 188 3.374 -1.207 7.402 1.00 0.00 C ATOM 230 CZ PHE A 188 2.877 -2.120 6.466 1.00 0.00 C ATOM 0 H PHE A 188 4.347 1.059 2.842 1.00 0.00 H new ATOM 0 HA PHE A 188 3.603 2.381 5.232 1.00 0.00 H new ATOM 0 HB2 PHE A 188 6.066 0.816 4.406 1.00 0.00 H new ATOM 0 HB3 PHE A 188 5.950 1.537 5.999 1.00 0.00 H new ATOM 0 HD1 PHE A 188 4.235 -0.794 3.644 1.00 0.00 H new ATOM 0 HD2 PHE A 188 4.564 0.565 7.701 1.00 0.00 H new ATOM 0 HE1 PHE A 188 2.802 -2.673 4.388 1.00 0.00 H new ATOM 0 HE2 PHE A 188 3.136 -1.323 8.449 1.00 0.00 H new ATOM 0 HZ PHE A 188 2.254 -2.941 6.790 1.00 0.00 H new ATOM 240 N SER A 189 6.117 3.749 3.576 1.00 0.00 N ATOM 241 CA SER A 189 6.900 5.012 3.497 1.00 0.00 C ATOM 242 C SER A 189 5.917 6.168 3.348 1.00 0.00 C ATOM 243 O SER A 189 6.014 7.180 4.015 1.00 0.00 O ATOM 244 CB SER A 189 7.830 4.959 2.285 1.00 0.00 C ATOM 245 OG SER A 189 7.051 4.908 1.097 1.00 0.00 O ATOM 0 H SER A 189 6.300 3.072 2.836 1.00 0.00 H new ATOM 0 HA SER A 189 7.503 5.146 4.395 1.00 0.00 H new ATOM 0 HB2 SER A 189 8.478 5.835 2.271 1.00 0.00 H new ATOM 0 HB3 SER A 189 8.477 4.084 2.347 1.00 0.00 H new ATOM 0 HG SER A 189 6.305 4.284 1.221 1.00 0.00 H new ATOM 251 N ALA A 190 4.946 6.003 2.495 1.00 0.00 N ATOM 252 CA ALA A 190 3.928 7.062 2.312 1.00 0.00 C ATOM 253 C ALA A 190 3.159 7.222 3.619 1.00 0.00 C ATOM 254 O ALA A 190 3.020 8.309 4.143 1.00 0.00 O ATOM 255 CB ALA A 190 2.965 6.646 1.197 1.00 0.00 C ATOM 0 H ALA A 190 4.817 5.174 1.915 1.00 0.00 H new ATOM 0 HA ALA A 190 4.404 8.005 2.042 1.00 0.00 H new ATOM 0 HB1 ALA A 190 2.213 7.422 1.058 1.00 0.00 H new ATOM 0 HB2 ALA A 190 3.520 6.508 0.269 1.00 0.00 H new ATOM 0 HB3 ALA A 190 2.475 5.711 1.469 1.00 0.00 H new ATOM 261 N PHE A 191 2.667 6.133 4.155 1.00 0.00 N ATOM 262 CA PHE A 191 1.905 6.206 5.433 1.00 0.00 C ATOM 263 C PHE A 191 2.838 6.597 6.586 1.00 0.00 C ATOM 264 O PHE A 191 2.399 7.113 7.594 1.00 0.00 O ATOM 265 CB PHE A 191 1.235 4.852 5.729 1.00 0.00 C ATOM 266 CG PHE A 191 -0.035 4.722 4.913 1.00 0.00 C ATOM 267 CD1 PHE A 191 -1.159 5.478 5.265 1.00 0.00 C ATOM 268 CD2 PHE A 191 -0.090 3.857 3.813 1.00 0.00 C ATOM 269 CE1 PHE A 191 -2.338 5.373 4.520 1.00 0.00 C ATOM 270 CE2 PHE A 191 -1.272 3.751 3.064 1.00 0.00 C ATOM 271 CZ PHE A 191 -2.396 4.510 3.419 1.00 0.00 C ATOM 0 H PHE A 191 2.762 5.197 3.760 1.00 0.00 H new ATOM 0 HA PHE A 191 1.131 6.967 5.336 1.00 0.00 H new ATOM 0 HB2 PHE A 191 1.918 4.037 5.489 1.00 0.00 H new ATOM 0 HB3 PHE A 191 1.006 4.773 6.792 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -1.116 6.144 6.114 1.00 0.00 H new ATOM 0 HD2 PHE A 191 0.776 3.272 3.541 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -3.204 5.958 4.794 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -1.316 3.085 2.215 1.00 0.00 H new ATOM 0 HZ PHE A 191 -3.306 4.429 2.843 1.00 0.00 H new ATOM 281 N GLU A 192 4.118 6.366 6.454 1.00 0.00 N ATOM 282 CA GLU A 192 5.047 6.737 7.561 1.00 0.00 C ATOM 283 C GLU A 192 5.070 8.261 7.705 1.00 0.00 C ATOM 284 O GLU A 192 5.266 8.785 8.781 1.00 0.00 O ATOM 285 CB GLU A 192 6.467 6.240 7.260 1.00 0.00 C ATOM 286 CG GLU A 192 7.373 6.542 8.454 1.00 0.00 C ATOM 287 CD GLU A 192 8.702 5.803 8.293 1.00 0.00 C ATOM 288 OE1 GLU A 192 8.894 5.180 7.259 1.00 0.00 O ATOM 289 OE2 GLU A 192 9.512 5.875 9.204 1.00 0.00 O ATOM 0 H GLU A 192 4.556 5.941 5.637 1.00 0.00 H new ATOM 0 HA GLU A 192 4.699 6.274 8.485 1.00 0.00 H new ATOM 0 HB2 GLU A 192 6.455 5.169 7.060 1.00 0.00 H new ATOM 0 HB3 GLU A 192 6.853 6.727 6.364 1.00 0.00 H new ATOM 0 HG2 GLU A 192 7.549 7.615 8.527 1.00 0.00 H new ATOM 0 HG3 GLU A 192 6.885 6.236 9.379 1.00 0.00 H new ATOM 296 N LYS A 193 4.867 8.980 6.632 1.00 0.00 N ATOM 297 CA LYS A 193 4.878 10.469 6.727 1.00 0.00 C ATOM 298 C LYS A 193 3.492 10.977 7.144 1.00 0.00 C ATOM 299 O LYS A 193 3.373 12.003 7.782 1.00 0.00 O ATOM 300 CB LYS A 193 5.246 11.072 5.374 1.00 0.00 C ATOM 301 CG LYS A 193 6.728 10.841 5.078 1.00 0.00 C ATOM 302 CD LYS A 193 7.031 11.364 3.674 1.00 0.00 C ATOM 303 CE LYS A 193 8.500 11.125 3.329 1.00 0.00 C ATOM 304 NZ LYS A 193 8.782 11.672 1.970 1.00 0.00 N ATOM 0 H LYS A 193 4.695 8.603 5.700 1.00 0.00 H new ATOM 0 HA LYS A 193 5.615 10.768 7.473 1.00 0.00 H new ATOM 0 HB2 LYS A 193 4.637 10.623 4.590 1.00 0.00 H new ATOM 0 HB3 LYS A 193 5.030 12.140 5.373 1.00 0.00 H new ATOM 0 HG2 LYS A 193 7.346 11.355 5.815 1.00 0.00 H new ATOM 0 HG3 LYS A 193 6.967 9.780 5.146 1.00 0.00 H new ATOM 0 HD2 LYS A 193 6.393 10.864 2.946 1.00 0.00 H new ATOM 0 HD3 LYS A 193 6.805 12.429 3.618 1.00 0.00 H new ATOM 0 HE2 LYS A 193 9.142 11.605 4.067 1.00 0.00 H new ATOM 0 HE3 LYS A 193 8.724 10.059 3.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 193 9.781 11.511 1.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 193 8.178 11.194 1.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 193 8.583 12.693 1.959 1.00 0.00 H new ATOM 318 N HIS A 194 2.438 10.274 6.798 1.00 0.00 N ATOM 319 CA HIS A 194 1.071 10.745 7.198 1.00 0.00 C ATOM 320 C HIS A 194 0.111 9.559 7.340 1.00 0.00 C ATOM 321 O HIS A 194 0.213 8.566 6.660 1.00 0.00 O ATOM 322 CB HIS A 194 0.527 11.730 6.151 1.00 0.00 C ATOM 323 CG HIS A 194 1.201 13.060 6.305 1.00 0.00 C ATOM 324 ND1 HIS A 194 1.846 13.688 5.256 1.00 0.00 N ATOM 325 CD2 HIS A 194 1.337 13.890 7.386 1.00 0.00 C ATOM 326 CE1 HIS A 194 2.338 14.850 5.722 1.00 0.00 C ATOM 327 NE2 HIS A 194 2.057 15.024 7.017 1.00 0.00 N ATOM 0 H HIS A 194 2.463 9.406 6.263 1.00 0.00 H new ATOM 0 HA HIS A 194 1.149 11.249 8.162 1.00 0.00 H new ATOM 0 HB2 HIS A 194 0.698 11.340 5.148 1.00 0.00 H new ATOM 0 HB3 HIS A 194 -0.551 11.842 6.270 1.00 0.00 H new ATOM 0 HD2 HIS A 194 0.946 13.695 8.374 1.00 0.00 H new ATOM 0 HE1 HIS A 194 2.893 15.557 5.122 1.00 0.00 H new ATOM 0 HE2 HIS A 194 2.314 15.815 7.607 1.00 0.00 H new ATOM 335 N GLN A 195 -0.814 9.650 8.243 1.00 0.00 N ATOM 336 CA GLN A 195 -1.776 8.531 8.452 1.00 0.00 C ATOM 337 C GLN A 195 -2.764 8.397 7.274 1.00 0.00 C ATOM 338 O GLN A 195 -3.313 7.334 7.050 1.00 0.00 O ATOM 339 CB GLN A 195 -2.543 8.777 9.752 1.00 0.00 C ATOM 340 CG GLN A 195 -3.380 7.547 10.107 1.00 0.00 C ATOM 341 CD GLN A 195 -2.449 6.385 10.464 1.00 0.00 C ATOM 342 OE1 GLN A 195 -1.962 6.307 11.573 1.00 0.00 O ATOM 343 NE2 GLN A 195 -2.175 5.476 9.565 1.00 0.00 N ATOM 0 H GLN A 195 -0.951 10.456 8.853 1.00 0.00 H new ATOM 0 HA GLN A 195 -1.215 7.598 8.512 1.00 0.00 H new ATOM 0 HB2 GLN A 195 -1.845 8.997 10.560 1.00 0.00 H new ATOM 0 HB3 GLN A 195 -3.189 9.648 9.643 1.00 0.00 H new ATOM 0 HG2 GLN A 195 -4.038 7.771 10.946 1.00 0.00 H new ATOM 0 HG3 GLN A 195 -4.017 7.272 9.267 1.00 0.00 H new ATOM 0 HE21 GLN A 195 -2.584 5.541 8.633 1.00 0.00 H new ATOM 0 HE22 GLN A 195 -1.552 4.702 9.796 1.00 0.00 H new ATOM 352 N TYR A 196 -3.034 9.461 6.546 1.00 0.00 N ATOM 353 CA TYR A 196 -4.038 9.379 5.421 1.00 0.00 C ATOM 354 C TYR A 196 -3.429 9.714 4.053 1.00 0.00 C ATOM 355 O TYR A 196 -2.589 10.582 3.922 1.00 0.00 O ATOM 356 CB TYR A 196 -5.156 10.381 5.699 1.00 0.00 C ATOM 357 CG TYR A 196 -5.893 9.985 6.951 1.00 0.00 C ATOM 358 CD1 TYR A 196 -6.922 9.044 6.873 1.00 0.00 C ATOM 359 CD2 TYR A 196 -5.560 10.564 8.183 1.00 0.00 C ATOM 360 CE1 TYR A 196 -7.626 8.677 8.020 1.00 0.00 C ATOM 361 CE2 TYR A 196 -6.269 10.197 9.335 1.00 0.00 C ATOM 362 CZ TYR A 196 -7.302 9.254 9.252 1.00 0.00 C ATOM 363 OH TYR A 196 -8.006 8.896 10.382 1.00 0.00 O ATOM 0 H TYR A 196 -2.607 10.378 6.678 1.00 0.00 H new ATOM 0 HA TYR A 196 -4.402 8.352 5.382 1.00 0.00 H new ATOM 0 HB2 TYR A 196 -4.740 11.382 5.812 1.00 0.00 H new ATOM 0 HB3 TYR A 196 -5.845 10.415 4.855 1.00 0.00 H new ATOM 0 HD1 TYR A 196 -7.174 8.599 5.922 1.00 0.00 H new ATOM 0 HD2 TYR A 196 -4.762 11.289 8.244 1.00 0.00 H new ATOM 0 HE1 TYR A 196 -8.420 7.948 7.957 1.00 0.00 H new ATOM 0 HE2 TYR A 196 -6.019 10.641 10.287 1.00 0.00 H new ATOM 0 HH TYR A 196 -7.656 9.387 11.155 1.00 0.00 H new ATOM 373 N TYR A 197 -3.903 9.040 3.023 1.00 0.00 N ATOM 374 CA TYR A 197 -3.424 9.313 1.624 1.00 0.00 C ATOM 375 C TYR A 197 -4.558 9.071 0.617 1.00 0.00 C ATOM 376 O TYR A 197 -5.193 8.033 0.619 1.00 0.00 O ATOM 377 CB TYR A 197 -2.246 8.391 1.268 1.00 0.00 C ATOM 378 CG TYR A 197 -0.954 8.965 1.800 1.00 0.00 C ATOM 379 CD1 TYR A 197 -0.573 8.751 3.126 1.00 0.00 C ATOM 380 CD2 TYR A 197 -0.139 9.724 0.950 1.00 0.00 C ATOM 381 CE1 TYR A 197 0.625 9.299 3.600 1.00 0.00 C ATOM 382 CE2 TYR A 197 1.059 10.269 1.427 1.00 0.00 C ATOM 383 CZ TYR A 197 1.441 10.057 2.756 1.00 0.00 C ATOM 384 OH TYR A 197 2.622 10.594 3.237 1.00 0.00 O ATOM 0 H TYR A 197 -4.608 8.306 3.095 1.00 0.00 H new ATOM 0 HA TYR A 197 -3.102 10.353 1.576 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.412 7.399 1.688 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -2.182 8.273 0.186 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -1.199 8.166 3.783 1.00 0.00 H new ATOM 0 HD2 TYR A 197 -0.436 9.889 -0.075 1.00 0.00 H new ATOM 0 HE1 TYR A 197 0.921 9.135 4.626 1.00 0.00 H new ATOM 0 HE2 TYR A 197 1.687 10.852 0.770 1.00 0.00 H new ATOM 0 HH TYR A 197 3.267 9.874 3.399 1.00 0.00 H new ATOM 394 N ASN A 198 -4.793 10.005 -0.270 1.00 0.00 N ATOM 395 CA ASN A 198 -5.859 9.809 -1.297 1.00 0.00 C ATOM 396 C ASN A 198 -5.264 9.067 -2.500 1.00 0.00 C ATOM 397 O ASN A 198 -4.061 8.964 -2.643 1.00 0.00 O ATOM 398 CB ASN A 198 -6.415 11.170 -1.732 1.00 0.00 C ATOM 399 CG ASN A 198 -5.415 11.901 -2.624 1.00 0.00 C ATOM 400 OD1 ASN A 198 -4.247 11.572 -2.648 1.00 0.00 O ATOM 401 ND2 ASN A 198 -5.837 12.882 -3.372 1.00 0.00 N ATOM 0 H ASN A 198 -4.294 10.893 -0.327 1.00 0.00 H new ATOM 0 HA ASN A 198 -6.674 9.219 -0.878 1.00 0.00 H new ATOM 0 HB2 ASN A 198 -7.354 11.030 -2.268 1.00 0.00 H new ATOM 0 HB3 ASN A 198 -6.637 11.776 -0.853 1.00 0.00 H new ATOM 0 HD21 ASN A 198 -5.185 13.376 -3.981 1.00 0.00 H new ATOM 0 HD22 ASN A 198 -6.819 13.155 -3.349 1.00 0.00 H new ATOM 408 N LEU A 199 -6.093 8.543 -3.358 1.00 0.00 N ATOM 409 CA LEU A 199 -5.571 7.798 -4.535 1.00 0.00 C ATOM 410 C LEU A 199 -4.625 8.694 -5.355 1.00 0.00 C ATOM 411 O LEU A 199 -3.585 8.258 -5.805 1.00 0.00 O ATOM 412 CB LEU A 199 -6.757 7.346 -5.409 1.00 0.00 C ATOM 413 CG LEU A 199 -7.592 6.286 -4.665 1.00 0.00 C ATOM 414 CD1 LEU A 199 -8.830 5.932 -5.504 1.00 0.00 C ATOM 415 CD2 LEU A 199 -6.752 5.013 -4.424 1.00 0.00 C ATOM 0 H LEU A 199 -7.110 8.599 -3.295 1.00 0.00 H new ATOM 0 HA LEU A 199 -5.012 6.926 -4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.382 8.203 -5.658 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -6.390 6.936 -6.350 1.00 0.00 H new ATOM 0 HG LEU A 199 -7.902 6.691 -3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -9.423 5.182 -4.980 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -9.432 6.827 -5.659 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -8.514 5.535 -6.469 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -7.355 4.273 -3.898 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -6.429 4.603 -5.381 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -5.878 5.262 -3.823 1.00 0.00 H new ATOM 427 N LYS A 200 -4.975 9.935 -5.565 1.00 0.00 N ATOM 428 CA LYS A 200 -4.086 10.832 -6.368 1.00 0.00 C ATOM 429 C LYS A 200 -2.707 10.985 -5.712 1.00 0.00 C ATOM 430 O LYS A 200 -1.700 11.045 -6.380 1.00 0.00 O ATOM 431 CB LYS A 200 -4.721 12.210 -6.552 1.00 0.00 C ATOM 432 CG LYS A 200 -3.814 13.047 -7.464 1.00 0.00 C ATOM 433 CD LYS A 200 -4.531 14.332 -7.904 1.00 0.00 C ATOM 434 CE LYS A 200 -5.546 14.040 -9.026 1.00 0.00 C ATOM 435 NZ LYS A 200 -5.895 15.314 -9.730 1.00 0.00 N ATOM 0 H LYS A 200 -5.832 10.367 -5.219 1.00 0.00 H new ATOM 0 HA LYS A 200 -3.957 10.366 -7.345 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -5.714 12.114 -6.991 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -4.845 12.702 -5.587 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -2.893 13.299 -6.938 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -3.531 12.463 -8.340 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -5.044 14.777 -7.051 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -3.799 15.061 -8.251 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -5.126 13.325 -9.733 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -6.444 13.585 -8.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -6.580 15.116 -10.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -6.313 15.982 -9.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -5.035 15.730 -10.141 1.00 0.00 H new ATOM 449 N ASP A 201 -2.639 11.086 -4.419 1.00 0.00 N ATOM 450 CA ASP A 201 -1.304 11.261 -3.778 1.00 0.00 C ATOM 451 C ASP A 201 -0.474 9.978 -3.941 1.00 0.00 C ATOM 452 O ASP A 201 0.725 10.025 -4.137 1.00 0.00 O ATOM 453 CB ASP A 201 -1.492 11.575 -2.292 1.00 0.00 C ATOM 454 CG ASP A 201 -2.098 12.973 -2.140 1.00 0.00 C ATOM 455 OD1 ASP A 201 -1.842 13.805 -2.995 1.00 0.00 O ATOM 456 OD2 ASP A 201 -2.807 13.188 -1.171 1.00 0.00 O ATOM 0 H ASP A 201 -3.435 11.056 -3.782 1.00 0.00 H new ATOM 0 HA ASP A 201 -0.777 12.085 -4.258 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -2.144 10.832 -1.832 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -0.534 11.524 -1.774 1.00 0.00 H new ATOM 461 N LEU A 202 -1.101 8.834 -3.859 1.00 0.00 N ATOM 462 CA LEU A 202 -0.349 7.549 -3.998 1.00 0.00 C ATOM 463 C LEU A 202 0.282 7.433 -5.388 1.00 0.00 C ATOM 464 O LEU A 202 1.393 6.961 -5.530 1.00 0.00 O ATOM 465 CB LEU A 202 -1.305 6.367 -3.781 1.00 0.00 C ATOM 466 CG LEU A 202 -1.736 6.293 -2.304 1.00 0.00 C ATOM 467 CD1 LEU A 202 -2.782 5.179 -2.125 1.00 0.00 C ATOM 468 CD2 LEU A 202 -0.509 6.005 -1.402 1.00 0.00 C ATOM 0 H LEU A 202 -2.104 8.733 -3.701 1.00 0.00 H new ATOM 0 HA LEU A 202 0.443 7.534 -3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 202 -2.183 6.478 -4.418 1.00 0.00 H new ATOM 0 HB3 LEU A 202 -0.816 5.437 -4.071 1.00 0.00 H new ATOM 0 HG LEU A 202 -2.171 7.250 -2.015 1.00 0.00 H new ATOM 0 HD11 LEU A 202 -3.085 5.129 -1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 202 -3.652 5.394 -2.745 1.00 0.00 H new ATOM 0 HD13 LEU A 202 -2.351 4.224 -2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 202 -0.827 5.955 -0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 202 -0.060 5.054 -1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 202 0.224 6.803 -1.520 1.00 0.00 H new ATOM 480 N VAL A 203 -0.408 7.838 -6.418 1.00 0.00 N ATOM 481 CA VAL A 203 0.189 7.719 -7.778 1.00 0.00 C ATOM 482 C VAL A 203 1.420 8.619 -7.880 1.00 0.00 C ATOM 483 O VAL A 203 2.431 8.229 -8.426 1.00 0.00 O ATOM 484 CB VAL A 203 -0.828 8.074 -8.867 1.00 0.00 C ATOM 485 CG1 VAL A 203 -1.855 6.946 -9.011 1.00 0.00 C ATOM 486 CG2 VAL A 203 -1.550 9.349 -8.477 1.00 0.00 C ATOM 0 H VAL A 203 -1.345 8.240 -6.380 1.00 0.00 H new ATOM 0 HA VAL A 203 0.487 6.682 -7.933 1.00 0.00 H new ATOM 0 HB VAL A 203 -0.306 8.212 -9.814 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -2.575 7.206 -9.787 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -1.345 6.022 -9.284 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -2.377 6.806 -8.064 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -2.275 9.607 -9.249 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -2.066 9.199 -7.529 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -0.828 10.159 -8.373 1.00 0.00 H new ATOM 496 N ASP A 204 1.367 9.808 -7.343 1.00 0.00 N ATOM 497 CA ASP A 204 2.568 10.687 -7.416 1.00 0.00 C ATOM 498 C ASP A 204 3.762 9.910 -6.863 1.00 0.00 C ATOM 499 O ASP A 204 4.845 9.925 -7.416 1.00 0.00 O ATOM 500 CB ASP A 204 2.342 11.937 -6.565 1.00 0.00 C ATOM 501 CG ASP A 204 3.464 12.940 -6.831 1.00 0.00 C ATOM 502 OD1 ASP A 204 4.170 12.761 -7.810 1.00 0.00 O ATOM 503 OD2 ASP A 204 3.600 13.868 -6.052 1.00 0.00 O ATOM 0 H ASP A 204 0.558 10.204 -6.864 1.00 0.00 H new ATOM 0 HA ASP A 204 2.752 10.986 -8.448 1.00 0.00 H new ATOM 0 HB2 ASP A 204 1.376 12.383 -6.803 1.00 0.00 H new ATOM 0 HB3 ASP A 204 2.319 11.672 -5.508 1.00 0.00 H new ATOM 508 N ILE A 205 3.559 9.215 -5.780 1.00 0.00 N ATOM 509 CA ILE A 205 4.661 8.414 -5.189 1.00 0.00 C ATOM 510 C ILE A 205 5.018 7.280 -6.165 1.00 0.00 C ATOM 511 O ILE A 205 6.156 6.858 -6.255 1.00 0.00 O ATOM 512 CB ILE A 205 4.192 7.824 -3.853 1.00 0.00 C ATOM 513 CG1 ILE A 205 3.695 8.953 -2.946 1.00 0.00 C ATOM 514 CG2 ILE A 205 5.359 7.118 -3.157 1.00 0.00 C ATOM 515 CD1 ILE A 205 3.068 8.360 -1.680 1.00 0.00 C ATOM 0 H ILE A 205 2.672 9.168 -5.278 1.00 0.00 H new ATOM 0 HA ILE A 205 5.537 9.039 -5.016 1.00 0.00 H new ATOM 0 HB ILE A 205 3.390 7.111 -4.043 1.00 0.00 H new ATOM 0 HG12 ILE A 205 4.523 9.610 -2.680 1.00 0.00 H new ATOM 0 HG13 ILE A 205 2.962 9.562 -3.475 1.00 0.00 H new ATOM 0 HG21 ILE A 205 5.019 6.701 -2.209 1.00 0.00 H new ATOM 0 HG22 ILE A 205 5.730 6.315 -3.794 1.00 0.00 H new ATOM 0 HG23 ILE A 205 6.160 7.834 -2.972 1.00 0.00 H new ATOM 0 HD11 ILE A 205 2.715 9.166 -1.037 1.00 0.00 H new ATOM 0 HD12 ILE A 205 2.229 7.721 -1.955 1.00 0.00 H new ATOM 0 HD13 ILE A 205 3.813 7.770 -1.147 1.00 0.00 H new ATOM 527 N THR A 206 4.044 6.781 -6.899 1.00 0.00 N ATOM 528 CA THR A 206 4.310 5.667 -7.869 1.00 0.00 C ATOM 529 C THR A 206 3.420 5.820 -9.112 1.00 0.00 C ATOM 530 O THR A 206 2.227 5.947 -9.025 1.00 0.00 O ATOM 531 CB THR A 206 3.995 4.334 -7.187 1.00 0.00 C ATOM 532 OG1 THR A 206 2.639 4.329 -6.768 1.00 0.00 O ATOM 533 CG2 THR A 206 4.916 4.162 -5.978 1.00 0.00 C ATOM 0 H THR A 206 3.076 7.099 -6.866 1.00 0.00 H new ATOM 0 HA THR A 206 5.355 5.699 -8.176 1.00 0.00 H new ATOM 0 HB THR A 206 4.156 3.511 -7.884 1.00 0.00 H new ATOM 0 HG1 THR A 206 2.114 4.915 -7.352 1.00 0.00 H new ATOM 0 HG21 THR A 206 4.698 3.214 -5.486 1.00 0.00 H new ATOM 0 HG22 THR A 206 5.955 4.169 -6.308 1.00 0.00 H new ATOM 0 HG23 THR A 206 4.753 4.980 -5.277 1.00 0.00 H new ATOM 541 N LYS A 207 4.006 5.817 -10.274 1.00 0.00 N ATOM 542 CA LYS A 207 3.207 5.979 -11.526 1.00 0.00 C ATOM 543 C LYS A 207 2.588 4.642 -11.960 1.00 0.00 C ATOM 544 O LYS A 207 2.386 4.406 -13.134 1.00 0.00 O ATOM 545 CB LYS A 207 4.115 6.504 -12.639 1.00 0.00 C ATOM 546 CG LYS A 207 4.627 7.896 -12.264 1.00 0.00 C ATOM 547 CD LYS A 207 5.585 8.389 -13.343 1.00 0.00 C ATOM 548 CE LYS A 207 5.967 9.843 -13.060 1.00 0.00 C ATOM 549 NZ LYS A 207 6.773 9.911 -11.808 1.00 0.00 N ATOM 0 H LYS A 207 5.010 5.709 -10.415 1.00 0.00 H new ATOM 0 HA LYS A 207 2.400 6.686 -11.334 1.00 0.00 H new ATOM 0 HB2 LYS A 207 4.954 5.825 -12.790 1.00 0.00 H new ATOM 0 HB3 LYS A 207 3.567 6.548 -13.580 1.00 0.00 H new ATOM 0 HG2 LYS A 207 3.791 8.588 -12.160 1.00 0.00 H new ATOM 0 HG3 LYS A 207 5.134 7.862 -11.300 1.00 0.00 H new ATOM 0 HD2 LYS A 207 6.478 7.765 -13.364 1.00 0.00 H new ATOM 0 HD3 LYS A 207 5.117 8.309 -14.324 1.00 0.00 H new ATOM 0 HE2 LYS A 207 6.538 10.249 -13.895 1.00 0.00 H new ATOM 0 HE3 LYS A 207 5.069 10.453 -12.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 7.202 10.855 -11.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 6.157 9.735 -10.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 7.523 9.191 -11.838 1.00 0.00 H new ATOM 563 N GLN A 208 2.284 3.765 -11.037 1.00 0.00 N ATOM 564 CA GLN A 208 1.676 2.451 -11.432 1.00 0.00 C ATOM 565 C GLN A 208 0.158 2.641 -11.640 1.00 0.00 C ATOM 566 O GLN A 208 -0.445 3.476 -10.994 1.00 0.00 O ATOM 567 CB GLN A 208 1.908 1.425 -10.311 1.00 0.00 C ATOM 568 CG GLN A 208 3.410 1.169 -10.154 1.00 0.00 C ATOM 569 CD GLN A 208 3.681 0.476 -8.816 1.00 0.00 C ATOM 570 OE1 GLN A 208 4.141 -0.650 -8.782 1.00 0.00 O ATOM 571 NE2 GLN A 208 3.411 1.108 -7.705 1.00 0.00 N ATOM 0 H GLN A 208 2.427 3.897 -10.036 1.00 0.00 H new ATOM 0 HA GLN A 208 2.135 2.095 -12.354 1.00 0.00 H new ATOM 0 HB2 GLN A 208 1.492 1.794 -9.374 1.00 0.00 H new ATOM 0 HB3 GLN A 208 1.392 0.493 -10.544 1.00 0.00 H new ATOM 0 HG2 GLN A 208 3.770 0.549 -10.975 1.00 0.00 H new ATOM 0 HG3 GLN A 208 3.956 2.111 -10.203 1.00 0.00 H new ATOM 0 HE21 GLN A 208 3.025 2.052 -7.736 1.00 0.00 H new ATOM 0 HE22 GLN A 208 3.586 0.658 -6.807 1.00 0.00 H new ATOM 580 N PRO A 209 -0.475 1.884 -12.521 1.00 0.00 N ATOM 581 CA PRO A 209 -1.945 2.017 -12.762 1.00 0.00 C ATOM 582 C PRO A 209 -2.739 2.022 -11.452 1.00 0.00 C ATOM 583 O PRO A 209 -2.550 1.180 -10.598 1.00 0.00 O ATOM 584 CB PRO A 209 -2.298 0.785 -13.612 1.00 0.00 C ATOM 585 CG PRO A 209 -1.030 0.425 -14.314 1.00 0.00 C ATOM 586 CD PRO A 209 0.116 0.835 -13.377 1.00 0.00 C ATOM 0 HA PRO A 209 -2.194 2.957 -13.254 1.00 0.00 H new ATOM 0 HB2 PRO A 209 -2.651 -0.037 -12.989 1.00 0.00 H new ATOM 0 HB3 PRO A 209 -3.093 1.010 -14.323 1.00 0.00 H new ATOM 0 HG2 PRO A 209 -0.994 -0.643 -14.527 1.00 0.00 H new ATOM 0 HG3 PRO A 209 -0.955 0.944 -15.270 1.00 0.00 H new ATOM 0 HD2 PRO A 209 0.469 -0.010 -12.786 1.00 0.00 H new ATOM 0 HD3 PRO A 209 0.972 1.212 -13.936 1.00 0.00 H new ATOM 594 N VAL A 210 -3.624 2.967 -11.290 1.00 0.00 N ATOM 595 CA VAL A 210 -4.431 3.028 -10.043 1.00 0.00 C ATOM 596 C VAL A 210 -5.196 1.724 -9.868 1.00 0.00 C ATOM 597 O VAL A 210 -5.246 1.158 -8.794 1.00 0.00 O ATOM 598 CB VAL A 210 -5.402 4.206 -10.124 1.00 0.00 C ATOM 599 CG1 VAL A 210 -4.592 5.494 -10.185 1.00 0.00 C ATOM 600 CG2 VAL A 210 -6.266 4.096 -11.385 1.00 0.00 C ATOM 0 H VAL A 210 -3.822 3.701 -11.970 1.00 0.00 H new ATOM 0 HA VAL A 210 -3.774 3.169 -9.185 1.00 0.00 H new ATOM 0 HB VAL A 210 -6.053 4.202 -9.250 1.00 0.00 H new ATOM 0 HG11 VAL A 210 -5.268 6.347 -10.243 1.00 0.00 H new ATOM 0 HG12 VAL A 210 -3.977 5.580 -9.289 1.00 0.00 H new ATOM 0 HG13 VAL A 210 -3.950 5.479 -11.066 1.00 0.00 H new ATOM 0 HG21 VAL A 210 -6.953 4.941 -11.430 1.00 0.00 H new ATOM 0 HG22 VAL A 210 -5.625 4.102 -12.267 1.00 0.00 H new ATOM 0 HG23 VAL A 210 -6.835 3.167 -11.356 1.00 0.00 H new ATOM 610 N VAL A 211 -5.784 1.238 -10.921 1.00 0.00 N ATOM 611 CA VAL A 211 -6.542 -0.031 -10.826 1.00 0.00 C ATOM 612 C VAL A 211 -5.669 -1.078 -10.150 1.00 0.00 C ATOM 613 O VAL A 211 -6.140 -1.880 -9.378 1.00 0.00 O ATOM 614 CB VAL A 211 -6.906 -0.511 -12.229 1.00 0.00 C ATOM 615 CG1 VAL A 211 -7.796 0.520 -12.919 1.00 0.00 C ATOM 616 CG2 VAL A 211 -5.626 -0.701 -13.043 1.00 0.00 C ATOM 0 H VAL A 211 -5.771 1.668 -11.846 1.00 0.00 H new ATOM 0 HA VAL A 211 -7.452 0.126 -10.247 1.00 0.00 H new ATOM 0 HB VAL A 211 -7.444 -1.456 -12.157 1.00 0.00 H new ATOM 0 HG11 VAL A 211 -8.051 0.170 -13.919 1.00 0.00 H new ATOM 0 HG12 VAL A 211 -8.709 0.659 -12.340 1.00 0.00 H new ATOM 0 HG13 VAL A 211 -7.265 1.469 -12.992 1.00 0.00 H new ATOM 0 HG21 VAL A 211 -5.880 -1.044 -14.046 1.00 0.00 H new ATOM 0 HG22 VAL A 211 -5.092 0.247 -13.108 1.00 0.00 H new ATOM 0 HG23 VAL A 211 -4.992 -1.442 -12.556 1.00 0.00 H new ATOM 626 N TYR A 212 -4.398 -1.076 -10.429 1.00 0.00 N ATOM 627 CA TYR A 212 -3.513 -2.085 -9.783 1.00 0.00 C ATOM 628 C TYR A 212 -3.340 -1.713 -8.311 1.00 0.00 C ATOM 629 O TYR A 212 -3.448 -2.544 -7.432 1.00 0.00 O ATOM 630 CB TYR A 212 -2.144 -2.111 -10.485 1.00 0.00 C ATOM 631 CG TYR A 212 -1.298 -3.242 -9.931 1.00 0.00 C ATOM 632 CD1 TYR A 212 -1.454 -4.544 -10.433 1.00 0.00 C ATOM 633 CD2 TYR A 212 -0.357 -2.993 -8.922 1.00 0.00 C ATOM 634 CE1 TYR A 212 -0.674 -5.590 -9.926 1.00 0.00 C ATOM 635 CE2 TYR A 212 0.423 -4.042 -8.417 1.00 0.00 C ATOM 636 CZ TYR A 212 0.263 -5.338 -8.920 1.00 0.00 C ATOM 637 OH TYR A 212 1.027 -6.372 -8.422 1.00 0.00 O ATOM 0 H TYR A 212 -3.936 -0.429 -11.068 1.00 0.00 H new ATOM 0 HA TYR A 212 -3.961 -3.075 -9.863 1.00 0.00 H new ATOM 0 HB2 TYR A 212 -2.279 -2.239 -11.559 1.00 0.00 H new ATOM 0 HB3 TYR A 212 -1.633 -1.159 -10.340 1.00 0.00 H new ATOM 0 HD1 TYR A 212 -2.177 -4.739 -11.211 1.00 0.00 H new ATOM 0 HD2 TYR A 212 -0.233 -1.993 -8.534 1.00 0.00 H new ATOM 0 HE1 TYR A 212 -0.796 -6.591 -10.312 1.00 0.00 H new ATOM 0 HE2 TYR A 212 1.148 -3.850 -7.640 1.00 0.00 H new ATOM 0 HH TYR A 212 1.642 -6.688 -9.116 1.00 0.00 H new ATOM 647 N LEU A 213 -3.081 -0.463 -8.040 1.00 0.00 N ATOM 648 CA LEU A 213 -2.905 -0.019 -6.628 1.00 0.00 C ATOM 649 C LEU A 213 -4.224 -0.185 -5.868 1.00 0.00 C ATOM 650 O LEU A 213 -4.247 -0.605 -4.727 1.00 0.00 O ATOM 651 CB LEU A 213 -2.508 1.461 -6.603 1.00 0.00 C ATOM 652 CG LEU A 213 -1.166 1.676 -7.309 1.00 0.00 C ATOM 653 CD1 LEU A 213 -0.863 3.177 -7.336 1.00 0.00 C ATOM 654 CD2 LEU A 213 -0.038 0.943 -6.560 1.00 0.00 C ATOM 0 H LEU A 213 -2.983 0.273 -8.739 1.00 0.00 H new ATOM 0 HA LEU A 213 -2.128 -0.623 -6.159 1.00 0.00 H new ATOM 0 HB2 LEU A 213 -3.280 2.057 -7.090 1.00 0.00 H new ATOM 0 HB3 LEU A 213 -2.441 1.807 -5.571 1.00 0.00 H new ATOM 0 HG LEU A 213 -1.225 1.280 -8.323 1.00 0.00 H new ATOM 0 HD11 LEU A 213 0.091 3.347 -7.836 1.00 0.00 H new ATOM 0 HD12 LEU A 213 -1.654 3.698 -7.876 1.00 0.00 H new ATOM 0 HD13 LEU A 213 -0.810 3.556 -6.315 1.00 0.00 H new ATOM 0 HD21 LEU A 213 0.908 1.107 -7.076 1.00 0.00 H new ATOM 0 HD22 LEU A 213 0.032 1.327 -5.542 1.00 0.00 H new ATOM 0 HD23 LEU A 213 -0.255 -0.125 -6.531 1.00 0.00 H new ATOM 666 N LYS A 214 -5.318 0.161 -6.493 1.00 0.00 N ATOM 667 CA LYS A 214 -6.647 0.051 -5.822 1.00 0.00 C ATOM 668 C LYS A 214 -6.907 -1.397 -5.404 1.00 0.00 C ATOM 669 O LYS A 214 -7.432 -1.654 -4.337 1.00 0.00 O ATOM 670 CB LYS A 214 -7.750 0.511 -6.788 1.00 0.00 C ATOM 671 CG LYS A 214 -7.704 2.045 -6.983 1.00 0.00 C ATOM 672 CD LYS A 214 -9.101 2.579 -7.344 1.00 0.00 C ATOM 673 CE LYS A 214 -9.556 1.993 -8.682 1.00 0.00 C ATOM 674 NZ LYS A 214 -8.612 2.403 -9.762 1.00 0.00 N ATOM 0 H LYS A 214 -5.348 0.518 -7.448 1.00 0.00 H new ATOM 0 HA LYS A 214 -6.650 0.684 -4.934 1.00 0.00 H new ATOM 0 HB2 LYS A 214 -7.628 0.014 -7.750 1.00 0.00 H new ATOM 0 HB3 LYS A 214 -8.725 0.218 -6.399 1.00 0.00 H new ATOM 0 HG2 LYS A 214 -7.349 2.524 -6.071 1.00 0.00 H new ATOM 0 HG3 LYS A 214 -6.996 2.297 -7.772 1.00 0.00 H new ATOM 0 HD2 LYS A 214 -9.813 2.316 -6.562 1.00 0.00 H new ATOM 0 HD3 LYS A 214 -9.079 3.667 -7.403 1.00 0.00 H new ATOM 0 HE2 LYS A 214 -9.598 0.906 -8.617 1.00 0.00 H new ATOM 0 HE3 LYS A 214 -10.563 2.338 -8.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 214 -8.971 2.074 -10.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 214 -8.528 3.440 -9.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 214 -7.678 1.982 -9.585 1.00 0.00 H new ATOM 688 N GLU A 215 -6.556 -2.345 -6.225 1.00 0.00 N ATOM 689 CA GLU A 215 -6.801 -3.766 -5.845 1.00 0.00 C ATOM 690 C GLU A 215 -6.025 -4.087 -4.577 1.00 0.00 C ATOM 691 O GLU A 215 -6.508 -4.776 -3.701 1.00 0.00 O ATOM 692 CB GLU A 215 -6.350 -4.689 -6.977 1.00 0.00 C ATOM 693 CG GLU A 215 -7.306 -4.527 -8.161 1.00 0.00 C ATOM 694 CD GLU A 215 -8.653 -5.179 -7.837 1.00 0.00 C ATOM 695 OE1 GLU A 215 -8.764 -5.776 -6.780 1.00 0.00 O ATOM 696 OE2 GLU A 215 -9.554 -5.064 -8.652 1.00 0.00 O ATOM 0 H GLU A 215 -6.115 -2.202 -7.133 1.00 0.00 H new ATOM 0 HA GLU A 215 -7.866 -3.918 -5.668 1.00 0.00 H new ATOM 0 HB2 GLU A 215 -5.332 -4.445 -7.279 1.00 0.00 H new ATOM 0 HB3 GLU A 215 -6.342 -5.725 -6.638 1.00 0.00 H new ATOM 0 HG2 GLU A 215 -7.448 -3.469 -8.383 1.00 0.00 H new ATOM 0 HG3 GLU A 215 -6.876 -4.984 -9.052 1.00 0.00 H new ATOM 703 N ILE A 216 -4.828 -3.598 -4.463 1.00 0.00 N ATOM 704 CA ILE A 216 -4.040 -3.880 -3.241 1.00 0.00 C ATOM 705 C ILE A 216 -4.660 -3.130 -2.065 1.00 0.00 C ATOM 706 O ILE A 216 -4.780 -3.647 -0.973 1.00 0.00 O ATOM 707 CB ILE A 216 -2.607 -3.407 -3.455 1.00 0.00 C ATOM 708 CG1 ILE A 216 -1.974 -4.221 -4.587 1.00 0.00 C ATOM 709 CG2 ILE A 216 -1.810 -3.601 -2.166 1.00 0.00 C ATOM 710 CD1 ILE A 216 -0.663 -3.570 -5.020 1.00 0.00 C ATOM 0 H ILE A 216 -4.363 -3.017 -5.161 1.00 0.00 H new ATOM 0 HA ILE A 216 -4.042 -4.950 -3.031 1.00 0.00 H new ATOM 0 HB ILE A 216 -2.601 -2.350 -3.722 1.00 0.00 H new ATOM 0 HG12 ILE A 216 -1.791 -5.243 -4.254 1.00 0.00 H new ATOM 0 HG13 ILE A 216 -2.659 -4.279 -5.433 1.00 0.00 H new ATOM 0 HG21 ILE A 216 -0.785 -3.263 -2.318 1.00 0.00 H new ATOM 0 HG22 ILE A 216 -2.268 -3.022 -1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 216 -1.808 -4.657 -1.895 1.00 0.00 H new ATOM 0 HD11 ILE A 216 -0.216 -4.153 -5.826 1.00 0.00 H new ATOM 0 HD12 ILE A 216 -0.858 -2.556 -5.370 1.00 0.00 H new ATOM 0 HD13 ILE A 216 0.023 -3.535 -4.174 1.00 0.00 H new ATOM 722 N LEU A 217 -5.066 -1.910 -2.286 1.00 0.00 N ATOM 723 CA LEU A 217 -5.695 -1.117 -1.192 1.00 0.00 C ATOM 724 C LEU A 217 -7.068 -1.701 -0.872 1.00 0.00 C ATOM 725 O LEU A 217 -7.537 -1.660 0.243 1.00 0.00 O ATOM 726 CB LEU A 217 -5.867 0.331 -1.649 1.00 0.00 C ATOM 727 CG LEU A 217 -4.496 0.967 -1.901 1.00 0.00 C ATOM 728 CD1 LEU A 217 -4.688 2.365 -2.506 1.00 0.00 C ATOM 729 CD2 LEU A 217 -3.707 1.073 -0.577 1.00 0.00 C ATOM 0 H LEU A 217 -4.989 -1.426 -3.181 1.00 0.00 H new ATOM 0 HA LEU A 217 -5.060 -1.152 -0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 217 -6.466 0.365 -2.559 1.00 0.00 H new ATOM 0 HB3 LEU A 217 -6.407 0.899 -0.891 1.00 0.00 H new ATOM 0 HG LEU A 217 -3.933 0.343 -2.595 1.00 0.00 H new ATOM 0 HD11 LEU A 217 -3.714 2.820 -2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 217 -5.230 2.282 -3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 217 -5.256 2.986 -1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 217 -2.734 1.526 -0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 217 -4.262 1.690 0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 217 -3.567 0.077 -0.156 1.00 0.00 H new ATOM 741 N LYS A 218 -7.725 -2.232 -1.853 1.00 0.00 N ATOM 742 CA LYS A 218 -9.077 -2.805 -1.620 1.00 0.00 C ATOM 743 C LYS A 218 -8.985 -3.930 -0.589 1.00 0.00 C ATOM 744 O LYS A 218 -9.866 -4.109 0.231 1.00 0.00 O ATOM 745 CB LYS A 218 -9.614 -3.356 -2.944 1.00 0.00 C ATOM 746 CG LYS A 218 -11.097 -3.753 -2.811 1.00 0.00 C ATOM 747 CD LYS A 218 -12.001 -2.525 -2.994 1.00 0.00 C ATOM 748 CE LYS A 218 -13.471 -2.968 -3.016 1.00 0.00 C ATOM 749 NZ LYS A 218 -13.764 -3.640 -4.315 1.00 0.00 N ATOM 0 H LYS A 218 -7.386 -2.296 -2.813 1.00 0.00 H new ATOM 0 HA LYS A 218 -9.749 -2.034 -1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 218 -9.503 -2.606 -3.727 1.00 0.00 H new ATOM 0 HB3 LYS A 218 -9.027 -4.223 -3.247 1.00 0.00 H new ATOM 0 HG2 LYS A 218 -11.345 -4.509 -3.556 1.00 0.00 H new ATOM 0 HG3 LYS A 218 -11.274 -4.199 -1.832 1.00 0.00 H new ATOM 0 HD2 LYS A 218 -11.836 -1.815 -2.183 1.00 0.00 H new ATOM 0 HD3 LYS A 218 -11.751 -2.012 -3.923 1.00 0.00 H new ATOM 0 HE2 LYS A 218 -13.670 -3.649 -2.188 1.00 0.00 H new ATOM 0 HE3 LYS A 218 -14.125 -2.106 -2.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 -14.793 -3.683 -4.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 -13.328 -3.102 -5.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 -13.376 -4.605 -4.302 1.00 0.00 H new ATOM 763 N GLU A 219 -7.931 -4.700 -0.637 1.00 0.00 N ATOM 764 CA GLU A 219 -7.788 -5.832 0.322 1.00 0.00 C ATOM 765 C GLU A 219 -7.405 -5.335 1.725 1.00 0.00 C ATOM 766 O GLU A 219 -8.115 -5.570 2.682 1.00 0.00 O ATOM 767 CB GLU A 219 -6.687 -6.764 -0.189 1.00 0.00 C ATOM 768 CG GLU A 219 -7.150 -7.460 -1.468 1.00 0.00 C ATOM 769 CD GLU A 219 -8.288 -8.424 -1.134 1.00 0.00 C ATOM 770 OE1 GLU A 219 -8.463 -8.718 0.036 1.00 0.00 O ATOM 771 OE2 GLU A 219 -8.968 -8.851 -2.054 1.00 0.00 O ATOM 0 H GLU A 219 -7.163 -4.593 -1.299 1.00 0.00 H new ATOM 0 HA GLU A 219 -8.744 -6.351 0.393 1.00 0.00 H new ATOM 0 HB2 GLU A 219 -5.777 -6.195 -0.382 1.00 0.00 H new ATOM 0 HB3 GLU A 219 -6.444 -7.506 0.572 1.00 0.00 H new ATOM 0 HG2 GLU A 219 -7.485 -6.722 -2.197 1.00 0.00 H new ATOM 0 HG3 GLU A 219 -6.320 -8.002 -1.922 1.00 0.00 H new ATOM 778 N ILE A 220 -6.282 -4.674 1.869 1.00 0.00 N ATOM 779 CA ILE A 220 -5.853 -4.196 3.230 1.00 0.00 C ATOM 780 C ILE A 220 -6.145 -2.705 3.414 1.00 0.00 C ATOM 781 O ILE A 220 -5.983 -2.170 4.492 1.00 0.00 O ATOM 782 CB ILE A 220 -4.344 -4.433 3.391 1.00 0.00 C ATOM 783 CG1 ILE A 220 -3.598 -3.717 2.251 1.00 0.00 C ATOM 784 CG2 ILE A 220 -4.046 -5.940 3.345 1.00 0.00 C ATOM 785 CD1 ILE A 220 -2.092 -3.697 2.518 1.00 0.00 C ATOM 0 H ILE A 220 -5.643 -4.443 1.108 1.00 0.00 H new ATOM 0 HA ILE A 220 -6.414 -4.752 3.982 1.00 0.00 H new ATOM 0 HB ILE A 220 -4.011 -4.037 4.350 1.00 0.00 H new ATOM 0 HG12 ILE A 220 -3.798 -4.222 1.306 1.00 0.00 H new ATOM 0 HG13 ILE A 220 -3.968 -2.697 2.152 1.00 0.00 H new ATOM 0 HG21 ILE A 220 -2.974 -6.103 3.460 1.00 0.00 H new ATOM 0 HG22 ILE A 220 -4.578 -6.441 4.154 1.00 0.00 H new ATOM 0 HG23 ILE A 220 -4.374 -6.347 2.389 1.00 0.00 H new ATOM 0 HD11 ILE A 220 -1.584 -3.186 1.700 1.00 0.00 H new ATOM 0 HD12 ILE A 220 -1.895 -3.171 3.452 1.00 0.00 H new ATOM 0 HD13 ILE A 220 -1.722 -4.720 2.593 1.00 0.00 H new ATOM 797 N GLY A 221 -6.537 -2.016 2.378 1.00 0.00 N ATOM 798 CA GLY A 221 -6.789 -0.552 2.525 1.00 0.00 C ATOM 799 C GLY A 221 -8.214 -0.274 2.986 1.00 0.00 C ATOM 800 O GLY A 221 -9.020 -1.161 3.188 1.00 0.00 O ATOM 0 H GLY A 221 -6.693 -2.397 1.445 1.00 0.00 H new ATOM 0 HA2 GLY A 221 -6.085 -0.131 3.242 1.00 0.00 H new ATOM 0 HA3 GLY A 221 -6.610 -0.054 1.572 1.00 0.00 H new ATOM 804 N VAL A 222 -8.509 0.980 3.145 1.00 0.00 N ATOM 805 CA VAL A 222 -9.852 1.420 3.587 1.00 0.00 C ATOM 806 C VAL A 222 -10.192 2.690 2.806 1.00 0.00 C ATOM 807 O VAL A 222 -9.374 3.192 2.069 1.00 0.00 O ATOM 808 CB VAL A 222 -9.808 1.700 5.096 1.00 0.00 C ATOM 809 CG1 VAL A 222 -11.135 2.301 5.556 1.00 0.00 C ATOM 810 CG2 VAL A 222 -9.556 0.383 5.838 1.00 0.00 C ATOM 0 H VAL A 222 -7.851 1.742 2.981 1.00 0.00 H new ATOM 0 HA VAL A 222 -10.610 0.659 3.402 1.00 0.00 H new ATOM 0 HB VAL A 222 -9.008 2.408 5.312 1.00 0.00 H new ATOM 0 HG11 VAL A 222 -11.094 2.496 6.628 1.00 0.00 H new ATOM 0 HG12 VAL A 222 -11.315 3.235 5.024 1.00 0.00 H new ATOM 0 HG13 VAL A 222 -11.944 1.601 5.345 1.00 0.00 H new ATOM 0 HG21 VAL A 222 -9.523 0.571 6.911 1.00 0.00 H new ATOM 0 HG22 VAL A 222 -10.360 -0.319 5.617 1.00 0.00 H new ATOM 0 HG23 VAL A 222 -8.605 -0.041 5.514 1.00 0.00 H new ATOM 820 N GLN A 223 -11.384 3.205 2.941 1.00 0.00 N ATOM 821 CA GLN A 223 -11.770 4.435 2.185 1.00 0.00 C ATOM 822 C GLN A 223 -12.606 5.331 3.091 1.00 0.00 C ATOM 823 O GLN A 223 -13.263 4.872 4.004 1.00 0.00 O ATOM 824 CB GLN A 223 -12.599 4.029 0.961 1.00 0.00 C ATOM 825 CG GLN A 223 -13.075 5.270 0.189 1.00 0.00 C ATOM 826 CD GLN A 223 -11.888 6.161 -0.186 1.00 0.00 C ATOM 827 OE1 GLN A 223 -11.078 5.794 -1.005 1.00 0.00 O ATOM 828 NE2 GLN A 223 -11.760 7.335 0.375 1.00 0.00 N ATOM 0 H GLN A 223 -12.113 2.826 3.546 1.00 0.00 H new ATOM 0 HA GLN A 223 -10.878 4.971 1.861 1.00 0.00 H new ATOM 0 HB2 GLN A 223 -12.002 3.394 0.306 1.00 0.00 H new ATOM 0 HB3 GLN A 223 -13.460 3.440 1.278 1.00 0.00 H new ATOM 0 HG2 GLN A 223 -13.605 4.963 -0.713 1.00 0.00 H new ATOM 0 HG3 GLN A 223 -13.782 5.834 0.797 1.00 0.00 H new ATOM 0 HE21 GLN A 223 -12.442 7.647 1.066 1.00 0.00 H new ATOM 0 HE22 GLN A 223 -10.978 7.939 0.121 1.00 0.00 H new ATOM 837 N ASN A 224 -12.578 6.612 2.850 1.00 0.00 N ATOM 838 CA ASN A 224 -13.362 7.547 3.695 1.00 0.00 C ATOM 839 C ASN A 224 -13.734 8.775 2.865 1.00 0.00 C ATOM 840 O ASN A 224 -12.884 9.460 2.326 1.00 0.00 O ATOM 841 CB ASN A 224 -12.506 7.995 4.886 1.00 0.00 C ATOM 842 CG ASN A 224 -11.663 6.823 5.386 1.00 0.00 C ATOM 843 OD1 ASN A 224 -12.041 6.129 6.308 1.00 0.00 O ATOM 844 ND2 ASN A 224 -10.522 6.577 4.801 1.00 0.00 N ATOM 0 H ASN A 224 -12.043 7.051 2.101 1.00 0.00 H new ATOM 0 HA ASN A 224 -14.263 7.049 4.054 1.00 0.00 H new ATOM 0 HB2 ASN A 224 -11.859 8.821 4.590 1.00 0.00 H new ATOM 0 HB3 ASN A 224 -13.146 8.363 5.688 1.00 0.00 H new ATOM 0 HD21 ASN A 224 -9.944 5.799 5.118 1.00 0.00 H new ATOM 0 HD22 ASN A 224 -10.209 7.163 4.027 1.00 0.00 H new ATOM 851 N VAL A 225 -14.997 9.065 2.784 1.00 0.00 N ATOM 852 CA VAL A 225 -15.469 10.259 2.030 1.00 0.00 C ATOM 853 C VAL A 225 -15.783 11.334 3.058 1.00 0.00 C ATOM 854 O VAL A 225 -16.347 11.045 4.096 1.00 0.00 O ATOM 855 CB VAL A 225 -16.732 9.886 1.261 1.00 0.00 C ATOM 856 CG1 VAL A 225 -16.378 8.843 0.205 1.00 0.00 C ATOM 857 CG2 VAL A 225 -17.758 9.302 2.241 1.00 0.00 C ATOM 0 H VAL A 225 -15.739 8.515 3.216 1.00 0.00 H new ATOM 0 HA VAL A 225 -14.720 10.613 1.322 1.00 0.00 H new ATOM 0 HB VAL A 225 -17.153 10.767 0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -17.275 8.569 -0.351 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -15.638 9.256 -0.481 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -15.968 7.958 0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -18.665 9.032 1.700 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -17.342 8.414 2.717 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -17.997 10.044 3.003 1.00 0.00 H new ATOM 867 N LYS A 226 -15.379 12.552 2.829 1.00 0.00 N ATOM 868 CA LYS A 226 -15.620 13.620 3.853 1.00 0.00 C ATOM 869 C LYS A 226 -16.330 14.832 3.228 1.00 0.00 C ATOM 870 O LYS A 226 -16.884 14.748 2.149 1.00 0.00 O ATOM 871 CB LYS A 226 -14.257 14.003 4.427 1.00 0.00 C ATOM 872 CG LYS A 226 -13.537 12.703 4.829 1.00 0.00 C ATOM 873 CD LYS A 226 -12.226 12.990 5.570 1.00 0.00 C ATOM 874 CE LYS A 226 -12.501 13.693 6.908 1.00 0.00 C ATOM 875 NZ LYS A 226 -11.353 13.471 7.835 1.00 0.00 N ATOM 0 H LYS A 226 -14.895 12.858 1.985 1.00 0.00 H new ATOM 0 HA LYS A 226 -16.276 13.258 4.645 1.00 0.00 H new ATOM 0 HB2 LYS A 226 -13.672 14.552 3.689 1.00 0.00 H new ATOM 0 HB3 LYS A 226 -14.376 14.657 5.291 1.00 0.00 H new ATOM 0 HG2 LYS A 226 -14.191 12.105 5.464 1.00 0.00 H new ATOM 0 HG3 LYS A 226 -13.330 12.111 3.938 1.00 0.00 H new ATOM 0 HD2 LYS A 226 -11.691 12.057 5.747 1.00 0.00 H new ATOM 0 HD3 LYS A 226 -11.582 13.615 4.951 1.00 0.00 H new ATOM 0 HE2 LYS A 226 -12.649 14.761 6.746 1.00 0.00 H new ATOM 0 HE3 LYS A 226 -13.419 13.307 7.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 226 -11.541 13.947 8.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 226 -11.231 12.451 7.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 226 -10.486 13.859 7.413 1.00 0.00 H new ATOM 889 N GLY A 227 -16.331 15.943 3.929 1.00 0.00 N ATOM 890 CA GLY A 227 -17.012 17.198 3.448 1.00 0.00 C ATOM 891 C GLY A 227 -17.019 17.291 1.918 1.00 0.00 C ATOM 892 O GLY A 227 -18.022 17.031 1.280 1.00 0.00 O ATOM 0 H GLY A 227 -15.878 16.037 4.838 1.00 0.00 H new ATOM 0 HA2 GLY A 227 -18.037 17.220 3.818 1.00 0.00 H new ATOM 0 HA3 GLY A 227 -16.504 18.069 3.863 1.00 0.00 H new ATOM 896 N ILE A 228 -15.917 17.653 1.317 1.00 0.00 N ATOM 897 CA ILE A 228 -15.883 17.749 -0.171 1.00 0.00 C ATOM 898 C ILE A 228 -15.560 16.365 -0.732 1.00 0.00 C ATOM 899 O ILE A 228 -14.995 16.226 -1.796 1.00 0.00 O ATOM 900 CB ILE A 228 -14.839 18.787 -0.613 1.00 0.00 C ATOM 901 CG1 ILE A 228 -13.436 18.370 -0.158 1.00 0.00 C ATOM 902 CG2 ILE A 228 -15.186 20.145 0.000 1.00 0.00 C ATOM 903 CD1 ILE A 228 -12.406 19.368 -0.698 1.00 0.00 C ATOM 0 H ILE A 228 -15.043 17.885 1.789 1.00 0.00 H new ATOM 0 HA ILE A 228 -16.850 18.077 -0.553 1.00 0.00 H new ATOM 0 HB ILE A 228 -14.849 18.853 -1.701 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -13.390 18.337 0.931 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -13.209 17.366 -0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -14.448 20.884 -0.311 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -16.175 20.455 -0.338 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -15.183 20.065 1.087 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -11.408 19.072 -0.375 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -12.446 19.379 -1.787 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -12.630 20.364 -0.317 1.00 0.00 H new ATOM 915 N HIS A 229 -15.924 15.343 0.005 1.00 0.00 N ATOM 916 CA HIS A 229 -15.666 13.939 -0.432 1.00 0.00 C ATOM 917 C HIS A 229 -14.178 13.710 -0.592 1.00 0.00 C ATOM 918 O HIS A 229 -13.722 13.219 -1.608 1.00 0.00 O ATOM 919 CB HIS A 229 -16.364 13.664 -1.759 1.00 0.00 C ATOM 920 CG HIS A 229 -17.810 14.009 -1.619 1.00 0.00 C ATOM 921 ND1 HIS A 229 -18.649 13.333 -0.751 1.00 0.00 N ATOM 922 CD2 HIS A 229 -18.577 14.973 -2.214 1.00 0.00 C ATOM 923 CE1 HIS A 229 -19.866 13.894 -0.846 1.00 0.00 C ATOM 924 NE2 HIS A 229 -19.878 14.900 -1.726 1.00 0.00 N ATOM 0 H HIS A 229 -16.396 15.427 0.905 1.00 0.00 H new ATOM 0 HA HIS A 229 -16.057 13.262 0.328 1.00 0.00 H new ATOM 0 HB2 HIS A 229 -15.910 14.255 -2.555 1.00 0.00 H new ATOM 0 HB3 HIS A 229 -16.251 12.616 -2.036 1.00 0.00 H new ATOM 0 HD2 HIS A 229 -18.226 15.682 -2.950 1.00 0.00 H new ATOM 0 HE1 HIS A 229 -20.728 13.572 -0.281 1.00 0.00 H new ATOM 0 HE2 HIS A 229 -20.671 15.488 -1.984 1.00 0.00 H new ATOM 932 N LYS A 230 -13.413 14.048 0.399 1.00 0.00 N ATOM 933 CA LYS A 230 -11.957 13.830 0.289 1.00 0.00 C ATOM 934 C LYS A 230 -11.683 12.332 0.335 1.00 0.00 C ATOM 935 O LYS A 230 -11.969 11.664 1.308 1.00 0.00 O ATOM 936 CB LYS A 230 -11.247 14.531 1.445 1.00 0.00 C ATOM 937 CG LYS A 230 -11.456 16.044 1.321 1.00 0.00 C ATOM 938 CD LYS A 230 -10.656 16.780 2.408 1.00 0.00 C ATOM 939 CE LYS A 230 -11.439 16.777 3.720 1.00 0.00 C ATOM 940 NZ LYS A 230 -10.721 17.609 4.721 1.00 0.00 N ATOM 0 H LYS A 230 -13.732 14.463 1.274 1.00 0.00 H new ATOM 0 HA LYS A 230 -11.585 14.240 -0.650 1.00 0.00 H new ATOM 0 HB2 LYS A 230 -11.638 14.175 2.398 1.00 0.00 H new ATOM 0 HB3 LYS A 230 -10.183 14.296 1.430 1.00 0.00 H new ATOM 0 HG2 LYS A 230 -11.140 16.383 0.334 1.00 0.00 H new ATOM 0 HG3 LYS A 230 -12.516 16.281 1.415 1.00 0.00 H new ATOM 0 HD2 LYS A 230 -9.689 16.297 2.550 1.00 0.00 H new ATOM 0 HD3 LYS A 230 -10.458 17.805 2.095 1.00 0.00 H new ATOM 0 HE2 LYS A 230 -12.444 17.168 3.558 1.00 0.00 H new ATOM 0 HE3 LYS A 230 -11.549 15.757 4.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 230 -11.251 17.610 5.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 230 -9.771 17.217 4.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 230 -10.638 18.583 4.367 1.00 0.00 H new ATOM 954 N ASN A 231 -11.142 11.800 -0.721 1.00 0.00 N ATOM 955 CA ASN A 231 -10.853 10.345 -0.760 1.00 0.00 C ATOM 956 C ASN A 231 -9.572 10.057 0.016 1.00 0.00 C ATOM 957 O ASN A 231 -8.515 10.518 -0.343 1.00 0.00 O ATOM 958 CB ASN A 231 -10.655 9.910 -2.217 1.00 0.00 C ATOM 959 CG ASN A 231 -11.699 10.588 -3.102 1.00 0.00 C ATOM 960 OD1 ASN A 231 -12.860 10.233 -3.080 1.00 0.00 O ATOM 961 ND2 ASN A 231 -11.325 11.566 -3.887 1.00 0.00 N ATOM 0 H ASN A 231 -10.886 12.314 -1.564 1.00 0.00 H new ATOM 0 HA ASN A 231 -11.685 9.799 -0.314 1.00 0.00 H new ATOM 0 HB2 ASN A 231 -9.652 10.174 -2.553 1.00 0.00 H new ATOM 0 HB3 ASN A 231 -10.743 8.827 -2.299 1.00 0.00 H new ATOM 0 HD21 ASN A 231 -12.009 12.032 -4.482 1.00 0.00 H new ATOM 0 HD22 ASN A 231 -10.349 11.862 -3.903 1.00 0.00 H new ATOM 968 N THR A 232 -9.655 9.286 1.068 1.00 0.00 N ATOM 969 CA THR A 232 -8.427 8.945 1.858 1.00 0.00 C ATOM 970 C THR A 232 -8.370 7.437 2.064 1.00 0.00 C ATOM 971 O THR A 232 -9.367 6.810 2.383 1.00 0.00 O ATOM 972 CB THR A 232 -8.492 9.626 3.219 1.00 0.00 C ATOM 973 OG1 THR A 232 -9.670 9.213 3.893 1.00 0.00 O ATOM 974 CG2 THR A 232 -8.507 11.136 3.025 1.00 0.00 C ATOM 0 H THR A 232 -10.521 8.875 1.418 1.00 0.00 H new ATOM 0 HA THR A 232 -7.542 9.284 1.319 1.00 0.00 H new ATOM 0 HB THR A 232 -7.622 9.349 3.814 1.00 0.00 H new ATOM 0 HG1 THR A 232 -9.715 9.648 4.770 1.00 0.00 H new ATOM 0 HG21 THR A 232 -8.554 11.627 3.997 1.00 0.00 H new ATOM 0 HG22 THR A 232 -7.600 11.445 2.505 1.00 0.00 H new ATOM 0 HG23 THR A 232 -9.378 11.418 2.434 1.00 0.00 H new ATOM 982 N TRP A 233 -7.207 6.846 1.886 1.00 0.00 N ATOM 983 CA TRP A 233 -7.056 5.366 2.076 1.00 0.00 C ATOM 984 C TRP A 233 -6.139 5.077 3.267 1.00 0.00 C ATOM 985 O TRP A 233 -5.197 5.804 3.537 1.00 0.00 O ATOM 986 CB TRP A 233 -6.488 4.718 0.800 1.00 0.00 C ATOM 987 CG TRP A 233 -7.547 4.704 -0.262 1.00 0.00 C ATOM 988 CD1 TRP A 233 -7.888 5.753 -1.050 1.00 0.00 C ATOM 989 CD2 TRP A 233 -8.421 3.603 -0.651 1.00 0.00 C ATOM 990 NE1 TRP A 233 -8.909 5.360 -1.901 1.00 0.00 N ATOM 991 CE2 TRP A 233 -9.274 4.046 -1.689 1.00 0.00 C ATOM 992 CE3 TRP A 233 -8.553 2.273 -0.211 1.00 0.00 C ATOM 993 CZ2 TRP A 233 -10.226 3.205 -2.265 1.00 0.00 C ATOM 994 CZ3 TRP A 233 -9.513 1.424 -0.787 1.00 0.00 C ATOM 995 CH2 TRP A 233 -10.348 1.890 -1.811 1.00 0.00 C ATOM 0 H TRP A 233 -6.351 7.331 1.615 1.00 0.00 H new ATOM 0 HA TRP A 233 -8.038 4.939 2.277 1.00 0.00 H new ATOM 0 HB2 TRP A 233 -5.616 5.273 0.453 1.00 0.00 H new ATOM 0 HB3 TRP A 233 -6.155 3.702 1.011 1.00 0.00 H new ATOM 0 HD1 TRP A 233 -7.438 6.734 -1.020 1.00 0.00 H new ATOM 0 HE1 TRP A 233 -9.338 5.968 -2.599 1.00 0.00 H new ATOM 0 HE3 TRP A 233 -7.912 1.902 0.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 233 -10.864 3.568 -3.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 233 -9.608 0.406 -0.438 1.00 0.00 H new ATOM 0 HH2 TRP A 233 -11.085 1.233 -2.249 1.00 0.00 H new ATOM 1006 N GLU A 234 -6.426 4.014 3.988 1.00 0.00 N ATOM 1007 CA GLU A 234 -5.599 3.640 5.182 1.00 0.00 C ATOM 1008 C GLU A 234 -5.372 2.126 5.203 1.00 0.00 C ATOM 1009 O GLU A 234 -6.291 1.353 5.015 1.00 0.00 O ATOM 1010 CB GLU A 234 -6.341 4.018 6.468 1.00 0.00 C ATOM 1011 CG GLU A 234 -6.424 5.535 6.600 1.00 0.00 C ATOM 1012 CD GLU A 234 -6.865 5.876 8.022 1.00 0.00 C ATOM 1013 OE1 GLU A 234 -7.942 5.449 8.400 1.00 0.00 O ATOM 1014 OE2 GLU A 234 -6.120 6.551 8.707 1.00 0.00 O ATOM 0 H GLU A 234 -7.206 3.385 3.797 1.00 0.00 H new ATOM 0 HA GLU A 234 -4.648 4.168 5.121 1.00 0.00 H new ATOM 0 HB2 GLU A 234 -7.344 3.591 6.457 1.00 0.00 H new ATOM 0 HB3 GLU A 234 -5.825 3.598 7.331 1.00 0.00 H new ATOM 0 HG2 GLU A 234 -5.456 5.987 6.385 1.00 0.00 H new ATOM 0 HG3 GLU A 234 -7.132 5.940 5.877 1.00 0.00 H new ATOM 1021 N LEU A 235 -4.168 1.689 5.469 1.00 0.00 N ATOM 1022 CA LEU A 235 -3.915 0.224 5.543 1.00 0.00 C ATOM 1023 C LEU A 235 -4.578 -0.282 6.813 1.00 0.00 C ATOM 1024 O LEU A 235 -4.206 0.105 7.898 1.00 0.00 O ATOM 1025 CB LEU A 235 -2.409 -0.037 5.604 1.00 0.00 C ATOM 1026 CG LEU A 235 -1.747 0.516 4.340 1.00 0.00 C ATOM 1027 CD1 LEU A 235 -0.235 0.315 4.439 1.00 0.00 C ATOM 1028 CD2 LEU A 235 -2.292 -0.202 3.089 1.00 0.00 C ATOM 0 H LEU A 235 -3.355 2.282 5.637 1.00 0.00 H new ATOM 0 HA LEU A 235 -4.316 -0.286 4.667 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -1.982 0.436 6.488 1.00 0.00 H new ATOM 0 HB3 LEU A 235 -2.217 -1.106 5.690 1.00 0.00 H new ATOM 0 HG LEU A 235 -1.972 1.579 4.252 1.00 0.00 H new ATOM 0 HD11 LEU A 235 0.244 0.707 3.541 1.00 0.00 H new ATOM 0 HD12 LEU A 235 0.146 0.843 5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 235 -0.015 -0.748 4.533 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -1.811 0.203 2.199 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -2.082 -1.269 3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -3.369 -0.048 3.021 1.00 0.00 H new ATOM 1040 N LYS A 236 -5.566 -1.120 6.698 1.00 0.00 N ATOM 1041 CA LYS A 236 -6.246 -1.618 7.913 1.00 0.00 C ATOM 1042 C LYS A 236 -5.209 -2.413 8.733 1.00 0.00 C ATOM 1043 O LYS A 236 -4.727 -3.430 8.279 1.00 0.00 O ATOM 1044 CB LYS A 236 -7.417 -2.524 7.470 1.00 0.00 C ATOM 1045 CG LYS A 236 -8.565 -2.472 8.495 1.00 0.00 C ATOM 1046 CD LYS A 236 -9.448 -3.727 8.380 1.00 0.00 C ATOM 1047 CE LYS A 236 -10.127 -3.763 7.004 1.00 0.00 C ATOM 1048 NZ LYS A 236 -11.109 -4.886 6.952 1.00 0.00 N ATOM 0 H LYS A 236 -5.929 -1.479 5.815 1.00 0.00 H new ATOM 0 HA LYS A 236 -6.643 -0.807 8.524 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -7.781 -2.205 6.493 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -7.067 -3.551 7.360 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -8.157 -2.398 9.503 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -9.168 -1.579 8.329 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -8.843 -4.622 8.520 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -10.202 -3.725 9.167 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -10.633 -2.817 6.814 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -9.378 -3.887 6.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -11.565 -4.905 6.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -10.615 -5.787 7.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -11.832 -4.750 7.688 1.00 0.00 H new ATOM 1062 N PRO A 237 -4.839 -1.965 9.915 1.00 0.00 N ATOM 1063 CA PRO A 237 -3.836 -2.682 10.745 1.00 0.00 C ATOM 1064 C PRO A 237 -4.458 -3.840 11.534 1.00 0.00 C ATOM 1065 O PRO A 237 -3.803 -4.517 12.296 1.00 0.00 O ATOM 1066 CB PRO A 237 -3.316 -1.586 11.675 1.00 0.00 C ATOM 1067 CG PRO A 237 -4.491 -0.689 11.897 1.00 0.00 C ATOM 1068 CD PRO A 237 -5.326 -0.746 10.607 1.00 0.00 C ATOM 0 HA PRO A 237 -3.054 -3.151 10.148 1.00 0.00 H new ATOM 0 HB2 PRO A 237 -2.953 -2.003 12.614 1.00 0.00 H new ATOM 0 HB3 PRO A 237 -2.484 -1.045 11.224 1.00 0.00 H new ATOM 0 HG2 PRO A 237 -5.077 -1.020 12.754 1.00 0.00 H new ATOM 0 HG3 PRO A 237 -4.168 0.331 12.106 1.00 0.00 H new ATOM 0 HD2 PRO A 237 -6.392 -0.810 10.825 1.00 0.00 H new ATOM 0 HD3 PRO A 237 -5.178 0.145 9.997 1.00 0.00 H new ATOM 1076 N GLU A 238 -5.737 -4.030 11.381 1.00 0.00 N ATOM 1077 CA GLU A 238 -6.452 -5.099 12.138 1.00 0.00 C ATOM 1078 C GLU A 238 -5.827 -6.489 11.929 1.00 0.00 C ATOM 1079 O GLU A 238 -5.701 -7.245 12.870 1.00 0.00 O ATOM 1080 CB GLU A 238 -7.910 -5.148 11.673 1.00 0.00 C ATOM 1081 CG GLU A 238 -8.637 -3.891 12.149 1.00 0.00 C ATOM 1082 CD GLU A 238 -10.131 -3.997 11.831 1.00 0.00 C ATOM 1083 OE1 GLU A 238 -10.525 -4.991 11.240 1.00 0.00 O ATOM 1084 OE2 GLU A 238 -10.858 -3.082 12.186 1.00 0.00 O ATOM 0 H GLU A 238 -6.328 -3.483 10.755 1.00 0.00 H new ATOM 0 HA GLU A 238 -6.377 -4.854 13.197 1.00 0.00 H new ATOM 0 HB2 GLU A 238 -7.954 -5.218 10.586 1.00 0.00 H new ATOM 0 HB3 GLU A 238 -8.400 -6.037 12.070 1.00 0.00 H new ATOM 0 HG2 GLU A 238 -8.494 -3.762 13.222 1.00 0.00 H new ATOM 0 HG3 GLU A 238 -8.215 -3.011 11.663 1.00 0.00 H new ATOM 1091 N TYR A 239 -5.464 -6.860 10.718 1.00 0.00 N ATOM 1092 CA TYR A 239 -4.891 -8.242 10.498 1.00 0.00 C ATOM 1093 C TYR A 239 -3.606 -8.210 9.661 1.00 0.00 C ATOM 1094 O TYR A 239 -3.312 -9.153 8.954 1.00 0.00 O ATOM 1095 CB TYR A 239 -5.930 -9.107 9.781 1.00 0.00 C ATOM 1096 CG TYR A 239 -6.192 -8.540 8.408 1.00 0.00 C ATOM 1097 CD1 TYR A 239 -7.012 -7.419 8.280 1.00 0.00 C ATOM 1098 CD2 TYR A 239 -5.615 -9.122 7.270 1.00 0.00 C ATOM 1099 CE1 TYR A 239 -7.264 -6.871 7.020 1.00 0.00 C ATOM 1100 CE2 TYR A 239 -5.867 -8.574 6.004 1.00 0.00 C ATOM 1101 CZ TYR A 239 -6.690 -7.450 5.878 1.00 0.00 C ATOM 1102 OH TYR A 239 -6.938 -6.918 4.625 1.00 0.00 O ATOM 0 H TYR A 239 -5.536 -6.279 9.883 1.00 0.00 H new ATOM 0 HA TYR A 239 -4.643 -8.658 11.475 1.00 0.00 H new ATOM 0 HB2 TYR A 239 -5.572 -10.133 9.700 1.00 0.00 H new ATOM 0 HB3 TYR A 239 -6.855 -9.136 10.357 1.00 0.00 H new ATOM 0 HD1 TYR A 239 -7.454 -6.973 9.159 1.00 0.00 H new ATOM 0 HD2 TYR A 239 -4.979 -9.989 7.368 1.00 0.00 H new ATOM 0 HE1 TYR A 239 -7.900 -6.003 6.925 1.00 0.00 H new ATOM 0 HE2 TYR A 239 -5.425 -9.020 5.125 1.00 0.00 H new ATOM 0 HH TYR A 239 -7.777 -6.411 4.645 1.00 0.00 H new ATOM 1112 N ARG A 240 -2.826 -7.170 9.731 1.00 0.00 N ATOM 1113 CA ARG A 240 -1.573 -7.171 8.924 1.00 0.00 C ATOM 1114 C ARG A 240 -0.548 -8.106 9.570 1.00 0.00 C ATOM 1115 O ARG A 240 0.010 -7.816 10.610 1.00 0.00 O ATOM 1116 CB ARG A 240 -0.976 -5.756 8.847 1.00 0.00 C ATOM 1117 CG ARG A 240 -1.725 -4.915 7.809 1.00 0.00 C ATOM 1118 CD ARG A 240 -0.947 -3.627 7.540 1.00 0.00 C ATOM 1119 NE ARG A 240 -0.813 -2.875 8.817 1.00 0.00 N ATOM 1120 CZ ARG A 240 -0.022 -1.848 8.886 1.00 0.00 C ATOM 1121 NH1 ARG A 240 0.672 -1.491 7.843 1.00 0.00 N ATOM 1122 NH2 ARG A 240 0.071 -1.176 9.997 1.00 0.00 N ATOM 0 H ARG A 240 -2.993 -6.338 10.296 1.00 0.00 H new ATOM 0 HA ARG A 240 -1.813 -7.513 7.917 1.00 0.00 H new ATOM 0 HB2 ARG A 240 -1.035 -5.276 9.824 1.00 0.00 H new ATOM 0 HB3 ARG A 240 0.080 -5.814 8.584 1.00 0.00 H new ATOM 0 HG2 ARG A 240 -1.844 -5.480 6.885 1.00 0.00 H new ATOM 0 HG3 ARG A 240 -2.726 -4.679 8.170 1.00 0.00 H new ATOM 0 HD2 ARG A 240 0.037 -3.858 7.133 1.00 0.00 H new ATOM 0 HD3 ARG A 240 -1.465 -3.021 6.797 1.00 0.00 H new ATOM 0 HE ARG A 240 -1.343 -3.167 9.638 1.00 0.00 H new ATOM 0 HH11 ARG A 240 0.594 -2.018 6.973 1.00 0.00 H new ATOM 0 HH12 ARG A 240 1.294 -0.684 7.896 1.00 0.00 H new ATOM 0 HH21 ARG A 240 -0.477 -1.457 10.810 1.00 0.00 H new ATOM 0 HH22 ARG A 240 0.692 -0.369 10.054 1.00 0.00 H new ATOM 1136 N HIS A 241 -0.268 -9.208 8.930 1.00 0.00 N ATOM 1137 CA HIS A 241 0.753 -10.148 9.463 1.00 0.00 C ATOM 1138 C HIS A 241 2.112 -9.577 9.088 1.00 0.00 C ATOM 1139 O HIS A 241 3.147 -10.014 9.547 1.00 0.00 O ATOM 1140 CB HIS A 241 0.577 -11.520 8.811 1.00 0.00 C ATOM 1141 CG HIS A 241 -0.749 -12.096 9.211 1.00 0.00 C ATOM 1142 ND1 HIS A 241 -0.883 -12.921 10.311 1.00 0.00 N ATOM 1143 CD2 HIS A 241 -2.003 -11.979 8.668 1.00 0.00 C ATOM 1144 CE1 HIS A 241 -2.178 -13.268 10.398 1.00 0.00 C ATOM 1145 NE2 HIS A 241 -2.907 -12.721 9.421 1.00 0.00 N ATOM 0 H HIS A 241 -0.706 -9.498 8.056 1.00 0.00 H new ATOM 0 HA HIS A 241 0.657 -10.264 10.543 1.00 0.00 H new ATOM 0 HB2 HIS A 241 0.634 -11.429 7.726 1.00 0.00 H new ATOM 0 HB3 HIS A 241 1.383 -12.187 9.118 1.00 0.00 H new ATOM 0 HD2 HIS A 241 -2.251 -11.400 7.791 1.00 0.00 H new ATOM 0 HE1 HIS A 241 -2.581 -13.912 11.166 1.00 0.00 H new ATOM 0 HE2 HIS A 241 -3.909 -12.825 9.262 1.00 0.00 H new ATOM 1153 N TYR A 242 2.088 -8.590 8.232 1.00 0.00 N ATOM 1154 CA TYR A 242 3.334 -7.925 7.759 1.00 0.00 C ATOM 1155 C TYR A 242 3.343 -6.472 8.247 1.00 0.00 C ATOM 1156 O TYR A 242 2.422 -5.719 8.002 1.00 0.00 O ATOM 1157 CB TYR A 242 3.342 -7.964 6.225 1.00 0.00 C ATOM 1158 CG TYR A 242 4.426 -7.062 5.682 1.00 0.00 C ATOM 1159 CD1 TYR A 242 5.723 -7.549 5.479 1.00 0.00 C ATOM 1160 CD2 TYR A 242 4.125 -5.729 5.386 1.00 0.00 C ATOM 1161 CE1 TYR A 242 6.719 -6.696 4.983 1.00 0.00 C ATOM 1162 CE2 TYR A 242 5.115 -4.880 4.888 1.00 0.00 C ATOM 1163 CZ TYR A 242 6.415 -5.360 4.687 1.00 0.00 C ATOM 1164 OH TYR A 242 7.393 -4.512 4.208 1.00 0.00 O ATOM 0 H TYR A 242 1.231 -8.208 7.831 1.00 0.00 H new ATOM 0 HA TYR A 242 4.216 -8.434 8.148 1.00 0.00 H new ATOM 0 HB2 TYR A 242 3.504 -8.986 5.881 1.00 0.00 H new ATOM 0 HB3 TYR A 242 2.372 -7.649 5.842 1.00 0.00 H new ATOM 0 HD1 TYR A 242 5.956 -8.579 5.704 1.00 0.00 H new ATOM 0 HD2 TYR A 242 3.124 -5.355 5.543 1.00 0.00 H new ATOM 0 HE1 TYR A 242 7.721 -7.068 4.829 1.00 0.00 H new ATOM 0 HE2 TYR A 242 4.878 -3.852 4.658 1.00 0.00 H new ATOM 0 HH TYR A 242 7.082 -4.089 3.380 1.00 0.00 H new ATOM 1174 N GLN A 243 4.381 -6.081 8.940 1.00 0.00 N ATOM 1175 CA GLN A 243 4.467 -4.682 9.453 1.00 0.00 C ATOM 1176 C GLN A 243 5.819 -4.481 10.138 1.00 0.00 C ATOM 1177 O GLN A 243 6.861 -4.586 9.520 1.00 0.00 O ATOM 1178 CB GLN A 243 3.341 -4.423 10.463 1.00 0.00 C ATOM 1179 CG GLN A 243 3.416 -5.453 11.589 1.00 0.00 C ATOM 1180 CD GLN A 243 2.269 -5.221 12.571 1.00 0.00 C ATOM 1181 OE1 GLN A 243 2.192 -4.186 13.205 1.00 0.00 O ATOM 1182 NE2 GLN A 243 1.367 -6.150 12.721 1.00 0.00 N ATOM 0 H GLN A 243 5.177 -6.674 9.174 1.00 0.00 H new ATOM 0 HA GLN A 243 4.365 -3.986 8.620 1.00 0.00 H new ATOM 0 HB2 GLN A 243 3.429 -3.416 10.871 1.00 0.00 H new ATOM 0 HB3 GLN A 243 2.373 -4.482 9.966 1.00 0.00 H new ATOM 0 HG2 GLN A 243 3.359 -6.461 11.178 1.00 0.00 H new ATOM 0 HG3 GLN A 243 4.373 -5.373 12.106 1.00 0.00 H new ATOM 0 HE21 GLN A 243 1.434 -7.017 12.188 1.00 0.00 H new ATOM 0 HE22 GLN A 243 0.594 -6.010 13.371 1.00 0.00 H new TER 1191 GLN A 243