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= -0.885! C(o=-1.2!,f=-1.3!) USER MOD Set 1.2: A 232 THR OG1 : rot 180:sc= -0.268 USER MOD Set 2.1: A 194 HIS : no HD1:sc= -1.91 X(o=-2.3,f=-2.1) USER MOD Set 2.2: A 197 TYR OH : rot -78:sc= -0.391 USER MOD Single : A 180 LYS NZ :NH3+ 153:sc= -0.947 (180deg=-2.55!) USER MOD Single : A 181 GLN : amide:sc= -3.04! X(o=-3!,f=-3.1) USER MOD Single : A 182 HIS : no HD1:sc=-0.00141 X(o=-0.0014,f=-0.063) USER MOD Single : A 186 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 189 SER OG : rot -41:sc= 0.397 USER MOD Single : A 193 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 195 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.16) USER MOD Single : A 196 TYR OH : rot 180:sc= 0 USER MOD Single : A 198 ASN : amide:sc= -2.19! C(o=-2.2!,f=-12!) USER MOD Single : A 200 LYS NZ :NH3+ -123:sc= -0.979 (180deg=-2.92!) USER MOD Single : A 206 THR OG1 : rot -71:sc= 0.874 USER MOD Single : A 207 LYS NZ :NH3+ -148:sc= -0.205 (180deg=-1.17) USER MOD Single : A 208 GLN : amide:sc= -6.04! C(o=-6!,f=-12!) USER MOD Single : A 212 TYR OH : rot 71:sc= 1.08 USER MOD Single : A 214 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 218 LYS NZ :NH3+ -136:sc= -0.519 (180deg=-2.42!) USER MOD Single : A 223 GLN : amide:sc= -14.6! C(o=-15!,f=-0.93!) USER MOD Single : A 226 LYS NZ :NH3+ 125:sc= -0.115 (180deg=-0.804) USER MOD Single : A 229 HIS : no HD1:sc= -0.694 K(o=-0.69,f=-0.19) USER MOD Single : A 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 231 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.22) USER MOD Single : A 236 LYS NZ :NH3+ -154:sc= -0.121 (180deg=-0.608) USER MOD Single : A 239 TYR OH : rot -23:sc= -1.19! USER MOD Single : A 241 HIS : no HD1:sc= -0.224 X(o=-0.22,f=0) USER MOD Single : A 242 TYR OH : rot 144:sc= 1.24 USER MOD Single : A 243 GLN : amide:sc= 0.166 K(o=0.17,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 175 5.947 -12.986 -11.618 1.00 0.00 N ATOM 2 CA ARG A 175 4.531 -12.548 -11.747 1.00 0.00 C ATOM 3 C ARG A 175 4.421 -11.089 -11.294 1.00 0.00 C ATOM 4 O ARG A 175 5.246 -10.596 -10.551 1.00 0.00 O ATOM 5 CB ARG A 175 3.649 -13.459 -10.868 1.00 0.00 C ATOM 6 CG ARG A 175 2.178 -13.465 -11.353 1.00 0.00 C ATOM 7 CD ARG A 175 1.393 -12.247 -10.811 1.00 0.00 C ATOM 8 NE ARG A 175 0.043 -12.694 -10.342 1.00 0.00 N ATOM 9 CZ ARG A 175 -0.725 -13.438 -11.093 1.00 0.00 C ATOM 10 NH1 ARG A 175 -0.375 -13.733 -12.315 1.00 0.00 N ATOM 11 NH2 ARG A 175 -1.867 -13.863 -10.626 1.00 0.00 N ATOM 0 HA ARG A 175 4.196 -12.622 -12.782 1.00 0.00 H new ATOM 0 HB2 ARG A 175 4.043 -14.475 -10.885 1.00 0.00 H new ATOM 0 HB3 ARG A 175 3.691 -13.119 -9.833 1.00 0.00 H new ATOM 0 HG2 ARG A 175 2.154 -13.458 -12.443 1.00 0.00 H new ATOM 0 HG3 ARG A 175 1.692 -14.385 -11.029 1.00 0.00 H new ATOM 0 HD2 ARG A 175 1.940 -11.784 -9.990 1.00 0.00 H new ATOM 0 HD3 ARG A 175 1.288 -11.492 -11.590 1.00 0.00 H new ATOM 0 HE ARG A 175 -0.284 -12.412 -9.418 1.00 0.00 H new ATOM 0 HH11 ARG A 175 0.505 -13.382 -12.692 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -0.982 -14.315 -12.893 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -2.155 -13.614 -9.680 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -2.471 -14.444 -11.207 1.00 0.00 H new ATOM 25 N ALA A 176 3.412 -10.393 -11.737 1.00 0.00 N ATOM 26 CA ALA A 176 3.251 -8.966 -11.339 1.00 0.00 C ATOM 27 C ALA A 176 3.142 -8.854 -9.811 1.00 0.00 C ATOM 28 O ALA A 176 3.001 -7.775 -9.269 1.00 0.00 O ATOM 29 CB ALA A 176 1.973 -8.415 -11.972 1.00 0.00 C ATOM 0 H ALA A 176 2.689 -10.752 -12.360 1.00 0.00 H new ATOM 0 HA ALA A 176 4.117 -8.398 -11.679 1.00 0.00 H new ATOM 0 HB1 ALA A 176 1.846 -7.371 -11.686 1.00 0.00 H new ATOM 0 HB2 ALA A 176 2.044 -8.488 -13.057 1.00 0.00 H new ATOM 0 HB3 ALA A 176 1.116 -8.993 -11.624 1.00 0.00 H new ATOM 35 N ARG A 177 3.203 -9.962 -9.113 1.00 0.00 N ATOM 36 CA ARG A 177 3.100 -9.917 -7.622 1.00 0.00 C ATOM 37 C ARG A 177 4.388 -9.334 -7.034 1.00 0.00 C ATOM 38 O ARG A 177 4.443 -8.988 -5.871 1.00 0.00 O ATOM 39 CB ARG A 177 2.877 -11.328 -7.064 1.00 0.00 C ATOM 40 CG ARG A 177 2.736 -11.264 -5.534 1.00 0.00 C ATOM 41 CD ARG A 177 2.109 -12.564 -5.019 1.00 0.00 C ATOM 42 NE ARG A 177 2.081 -12.552 -3.528 1.00 0.00 N ATOM 43 CZ ARG A 177 1.357 -13.422 -2.874 1.00 0.00 C ATOM 44 NH1 ARG A 177 0.681 -14.334 -3.518 1.00 0.00 N ATOM 45 NH2 ARG A 177 1.326 -13.390 -1.571 1.00 0.00 N ATOM 0 H ARG A 177 3.319 -10.894 -9.511 1.00 0.00 H new ATOM 0 HA ARG A 177 2.254 -9.287 -7.346 1.00 0.00 H new ATOM 0 HB2 ARG A 177 1.981 -11.766 -7.503 1.00 0.00 H new ATOM 0 HB3 ARG A 177 3.713 -11.973 -7.335 1.00 0.00 H new ATOM 0 HG2 ARG A 177 3.713 -11.113 -5.075 1.00 0.00 H new ATOM 0 HG3 ARG A 177 2.116 -10.413 -5.251 1.00 0.00 H new ATOM 0 HD2 ARG A 177 1.097 -12.671 -5.411 1.00 0.00 H new ATOM 0 HD3 ARG A 177 2.681 -13.421 -5.375 1.00 0.00 H new ATOM 0 HE ARG A 177 2.630 -11.861 -3.016 1.00 0.00 H new ATOM 0 HH11 ARG A 177 0.716 -14.370 -4.537 1.00 0.00 H new ATOM 0 HH12 ARG A 177 0.118 -15.010 -3.003 1.00 0.00 H new ATOM 0 HH21 ARG A 177 1.866 -12.688 -1.065 1.00 0.00 H new ATOM 0 HH22 ARG A 177 0.762 -14.067 -1.057 1.00 0.00 H new ATOM 59 N ALA A 178 5.423 -9.207 -7.823 1.00 0.00 N ATOM 60 CA ALA A 178 6.684 -8.628 -7.282 1.00 0.00 C ATOM 61 C ALA A 178 6.387 -7.206 -6.833 1.00 0.00 C ATOM 62 O ALA A 178 6.675 -6.809 -5.719 1.00 0.00 O ATOM 63 CB ALA A 178 7.750 -8.581 -8.384 1.00 0.00 C ATOM 0 H ALA A 178 5.449 -9.476 -8.807 1.00 0.00 H new ATOM 0 HA ALA A 178 7.049 -9.236 -6.454 1.00 0.00 H new ATOM 0 HB1 ALA A 178 8.670 -8.157 -7.982 1.00 0.00 H new ATOM 0 HB2 ALA A 178 7.944 -9.591 -8.746 1.00 0.00 H new ATOM 0 HB3 ALA A 178 7.394 -7.962 -9.208 1.00 0.00 H new ATOM 69 N ASP A 179 5.797 -6.448 -7.708 1.00 0.00 N ATOM 70 CA ASP A 179 5.444 -5.048 -7.384 1.00 0.00 C ATOM 71 C ASP A 179 4.485 -5.033 -6.200 1.00 0.00 C ATOM 72 O ASP A 179 4.574 -4.206 -5.328 1.00 0.00 O ATOM 73 CB ASP A 179 4.772 -4.423 -8.605 1.00 0.00 C ATOM 74 CG ASP A 179 5.822 -4.196 -9.694 1.00 0.00 C ATOM 75 OD1 ASP A 179 6.966 -3.951 -9.346 1.00 0.00 O ATOM 76 OD2 ASP A 179 5.466 -4.280 -10.860 1.00 0.00 O ATOM 0 H ASP A 179 5.541 -6.747 -8.649 1.00 0.00 H new ATOM 0 HA ASP A 179 6.338 -4.481 -7.124 1.00 0.00 H new ATOM 0 HB2 ASP A 179 3.982 -5.077 -8.975 1.00 0.00 H new ATOM 0 HB3 ASP A 179 4.302 -3.478 -8.333 1.00 0.00 H new ATOM 81 N LYS A 180 3.560 -5.941 -6.166 1.00 0.00 N ATOM 82 CA LYS A 180 2.591 -5.957 -5.038 1.00 0.00 C ATOM 83 C LYS A 180 3.339 -5.897 -3.706 1.00 0.00 C ATOM 84 O LYS A 180 3.144 -4.992 -2.921 1.00 0.00 O ATOM 85 CB LYS A 180 1.760 -7.248 -5.104 1.00 0.00 C ATOM 86 CG LYS A 180 0.751 -7.270 -3.949 1.00 0.00 C ATOM 87 CD LYS A 180 -0.178 -8.484 -4.069 1.00 0.00 C ATOM 88 CE LYS A 180 -1.229 -8.426 -2.955 1.00 0.00 C ATOM 89 NZ LYS A 180 -2.103 -7.232 -3.153 1.00 0.00 N ATOM 0 H LYS A 180 3.430 -6.672 -6.866 1.00 0.00 H new ATOM 0 HA LYS A 180 1.933 -5.091 -5.115 1.00 0.00 H new ATOM 0 HB2 LYS A 180 1.237 -7.307 -6.058 1.00 0.00 H new ATOM 0 HB3 LYS A 180 2.415 -8.117 -5.045 1.00 0.00 H new ATOM 0 HG2 LYS A 180 1.280 -7.303 -2.997 1.00 0.00 H new ATOM 0 HG3 LYS A 180 0.162 -6.353 -3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 180 -0.664 -8.490 -5.044 1.00 0.00 H new ATOM 0 HD3 LYS A 180 0.398 -9.406 -3.995 1.00 0.00 H new ATOM 0 HE2 LYS A 180 -1.831 -9.335 -2.961 1.00 0.00 H new ATOM 0 HE3 LYS A 180 -0.740 -8.374 -1.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 -3.037 -7.412 -2.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 -1.670 -6.405 -2.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 -2.211 -7.046 -4.170 1.00 0.00 H new ATOM 103 N GLN A 181 4.180 -6.847 -3.434 1.00 0.00 N ATOM 104 CA GLN A 181 4.910 -6.828 -2.139 1.00 0.00 C ATOM 105 C GLN A 181 5.786 -5.573 -2.047 1.00 0.00 C ATOM 106 O GLN A 181 5.832 -4.909 -1.032 1.00 0.00 O ATOM 107 CB GLN A 181 5.774 -8.088 -2.026 1.00 0.00 C ATOM 108 CG GLN A 181 6.336 -8.215 -0.598 1.00 0.00 C ATOM 109 CD GLN A 181 7.614 -7.384 -0.456 1.00 0.00 C ATOM 110 OE1 GLN A 181 8.681 -7.833 -0.818 1.00 0.00 O ATOM 111 NE2 GLN A 181 7.550 -6.185 0.060 1.00 0.00 N ATOM 0 H GLN A 181 4.395 -7.633 -4.047 1.00 0.00 H new ATOM 0 HA GLN A 181 4.193 -6.809 -1.318 1.00 0.00 H new ATOM 0 HB2 GLN A 181 5.181 -8.969 -2.272 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.592 -8.044 -2.745 1.00 0.00 H new ATOM 0 HG2 GLN A 181 5.593 -7.878 0.124 1.00 0.00 H new ATOM 0 HG3 GLN A 181 6.547 -9.261 -0.374 1.00 0.00 H new ATOM 0 HE21 GLN A 181 6.652 -5.808 0.364 1.00 0.00 H new ATOM 0 HE22 GLN A 181 8.398 -5.626 0.158 1.00 0.00 H new ATOM 120 N HIS A 182 6.479 -5.244 -3.101 1.00 0.00 N ATOM 121 CA HIS A 182 7.355 -4.038 -3.093 1.00 0.00 C ATOM 122 C HIS A 182 6.506 -2.770 -3.015 1.00 0.00 C ATOM 123 O HIS A 182 6.885 -1.787 -2.409 1.00 0.00 O ATOM 124 CB HIS A 182 8.183 -4.048 -4.370 1.00 0.00 C ATOM 125 CG HIS A 182 9.064 -2.838 -4.438 1.00 0.00 C ATOM 126 ND1 HIS A 182 9.773 -2.361 -3.348 1.00 0.00 N ATOM 127 CD2 HIS A 182 9.369 -2.008 -5.481 1.00 0.00 C ATOM 128 CE1 HIS A 182 10.468 -1.283 -3.761 1.00 0.00 C ATOM 129 NE2 HIS A 182 10.256 -1.025 -5.057 1.00 0.00 N ATOM 0 H HIS A 182 6.476 -5.765 -3.978 1.00 0.00 H new ATOM 0 HA HIS A 182 8.012 -4.054 -2.223 1.00 0.00 H new ATOM 0 HB2 HIS A 182 8.793 -4.951 -4.407 1.00 0.00 H new ATOM 0 HB3 HIS A 182 7.523 -4.073 -5.237 1.00 0.00 H new ATOM 0 HD2 HIS A 182 8.979 -2.102 -6.484 1.00 0.00 H new ATOM 0 HE1 HIS A 182 11.116 -0.699 -3.125 1.00 0.00 H new ATOM 0 HE2 HIS A 182 10.658 -0.270 -5.613 1.00 0.00 H new ATOM 137 N VAL A 183 5.357 -2.788 -3.623 1.00 0.00 N ATOM 138 CA VAL A 183 4.478 -1.596 -3.586 1.00 0.00 C ATOM 139 C VAL A 183 3.966 -1.410 -2.155 1.00 0.00 C ATOM 140 O VAL A 183 3.849 -0.306 -1.674 1.00 0.00 O ATOM 141 CB VAL A 183 3.315 -1.804 -4.566 1.00 0.00 C ATOM 142 CG1 VAL A 183 2.225 -0.757 -4.309 1.00 0.00 C ATOM 143 CG2 VAL A 183 3.831 -1.667 -6.014 1.00 0.00 C ATOM 0 H VAL A 183 4.989 -3.582 -4.146 1.00 0.00 H new ATOM 0 HA VAL A 183 5.024 -0.700 -3.883 1.00 0.00 H new ATOM 0 HB VAL A 183 2.897 -2.800 -4.421 1.00 0.00 H new ATOM 0 HG11 VAL A 183 1.402 -0.909 -5.007 1.00 0.00 H new ATOM 0 HG12 VAL A 183 1.858 -0.857 -3.288 1.00 0.00 H new ATOM 0 HG13 VAL A 183 2.639 0.241 -4.449 1.00 0.00 H new ATOM 0 HG21 VAL A 183 3.005 -1.815 -6.710 1.00 0.00 H new ATOM 0 HG22 VAL A 183 4.253 -0.672 -6.157 1.00 0.00 H new ATOM 0 HG23 VAL A 183 4.600 -2.417 -6.199 1.00 0.00 H new ATOM 153 N LEU A 184 3.686 -2.477 -1.451 1.00 0.00 N ATOM 154 CA LEU A 184 3.213 -2.311 -0.049 1.00 0.00 C ATOM 155 C LEU A 184 4.292 -1.585 0.749 1.00 0.00 C ATOM 156 O LEU A 184 4.008 -0.714 1.544 1.00 0.00 O ATOM 157 CB LEU A 184 2.949 -3.677 0.582 1.00 0.00 C ATOM 158 CG LEU A 184 1.703 -4.312 -0.040 1.00 0.00 C ATOM 159 CD1 LEU A 184 1.555 -5.726 0.523 1.00 0.00 C ATOM 160 CD2 LEU A 184 0.447 -3.473 0.295 1.00 0.00 C ATOM 0 H LEU A 184 3.763 -3.439 -1.781 1.00 0.00 H new ATOM 0 HA LEU A 184 2.287 -1.735 -0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 184 3.811 -4.328 0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 184 2.813 -3.569 1.658 1.00 0.00 H new ATOM 0 HG LEU A 184 1.806 -4.348 -1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 184 0.672 -6.198 0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 184 2.439 -6.312 0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 184 1.449 -5.677 1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -0.431 -3.937 -0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 184 0.319 -3.425 1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 184 0.567 -2.465 -0.101 1.00 0.00 H new ATOM 172 N ASP A 185 5.530 -1.915 0.534 1.00 0.00 N ATOM 173 CA ASP A 185 6.606 -1.212 1.276 1.00 0.00 C ATOM 174 C ASP A 185 6.474 0.289 1.003 1.00 0.00 C ATOM 175 O ASP A 185 6.656 1.110 1.881 1.00 0.00 O ATOM 176 CB ASP A 185 7.975 -1.690 0.792 1.00 0.00 C ATOM 177 CG ASP A 185 8.234 -3.116 1.289 1.00 0.00 C ATOM 178 OD1 ASP A 185 7.624 -3.501 2.269 1.00 0.00 O ATOM 179 OD2 ASP A 185 9.047 -3.794 0.680 1.00 0.00 O ATOM 0 H ASP A 185 5.842 -2.635 -0.118 1.00 0.00 H new ATOM 0 HA ASP A 185 6.516 -1.420 2.342 1.00 0.00 H new ATOM 0 HB2 ASP A 185 8.016 -1.662 -0.297 1.00 0.00 H new ATOM 0 HB3 ASP A 185 8.754 -1.021 1.158 1.00 0.00 H new ATOM 184 N MET A 186 6.165 0.649 -0.221 1.00 0.00 N ATOM 185 CA MET A 186 6.025 2.094 -0.574 1.00 0.00 C ATOM 186 C MET A 186 4.891 2.712 0.242 1.00 0.00 C ATOM 187 O MET A 186 4.989 3.826 0.716 1.00 0.00 O ATOM 188 CB MET A 186 5.715 2.235 -2.074 1.00 0.00 C ATOM 189 CG MET A 186 6.875 1.659 -2.896 1.00 0.00 C ATOM 190 SD MET A 186 8.375 2.631 -2.605 1.00 0.00 S ATOM 191 CE MET A 186 8.101 3.891 -3.875 1.00 0.00 C ATOM 0 H MET A 186 6.004 0.000 -0.991 1.00 0.00 H new ATOM 0 HA MET A 186 6.958 2.611 -0.349 1.00 0.00 H new ATOM 0 HB2 MET A 186 4.790 1.711 -2.315 1.00 0.00 H new ATOM 0 HB3 MET A 186 5.563 3.284 -2.327 1.00 0.00 H new ATOM 0 HG2 MET A 186 7.046 0.618 -2.621 1.00 0.00 H new ATOM 0 HG3 MET A 186 6.623 1.671 -3.956 1.00 0.00 H new ATOM 0 HE1 MET A 186 8.926 4.603 -3.865 1.00 0.00 H new ATOM 0 HE2 MET A 186 8.044 3.415 -4.854 1.00 0.00 H new ATOM 0 HE3 MET A 186 7.167 4.415 -3.672 1.00 0.00 H new ATOM 201 N LEU A 187 3.816 1.997 0.410 1.00 0.00 N ATOM 202 CA LEU A 187 2.676 2.540 1.196 1.00 0.00 C ATOM 203 C LEU A 187 3.122 2.787 2.636 1.00 0.00 C ATOM 204 O LEU A 187 2.850 3.823 3.208 1.00 0.00 O ATOM 205 CB LEU A 187 1.530 1.526 1.187 1.00 0.00 C ATOM 206 CG LEU A 187 1.096 1.220 -0.246 1.00 0.00 C ATOM 207 CD1 LEU A 187 -0.058 0.216 -0.203 1.00 0.00 C ATOM 208 CD2 LEU A 187 0.633 2.512 -0.938 1.00 0.00 C ATOM 0 H LEU A 187 3.677 1.058 0.036 1.00 0.00 H new ATOM 0 HA LEU A 187 2.341 3.478 0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 187 1.846 0.607 1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 187 0.685 1.918 1.753 1.00 0.00 H new ATOM 0 HG LEU A 187 1.933 0.803 -0.806 1.00 0.00 H new ATOM 0 HD11 LEU A 187 -0.379 -0.013 -1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 187 0.274 -0.699 0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 187 -0.892 0.644 0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 187 0.325 2.287 -1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 187 -0.208 2.937 -0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 187 1.454 3.229 -0.956 1.00 0.00 H new ATOM 220 N PHE A 188 3.811 1.855 3.235 1.00 0.00 N ATOM 221 CA PHE A 188 4.265 2.083 4.630 1.00 0.00 C ATOM 222 C PHE A 188 5.153 3.317 4.674 1.00 0.00 C ATOM 223 O PHE A 188 5.061 4.124 5.576 1.00 0.00 O ATOM 224 CB PHE A 188 5.030 0.865 5.141 1.00 0.00 C ATOM 225 CG PHE A 188 4.047 -0.238 5.471 1.00 0.00 C ATOM 226 CD1 PHE A 188 3.246 -0.138 6.619 1.00 0.00 C ATOM 227 CD2 PHE A 188 3.930 -1.353 4.633 1.00 0.00 C ATOM 228 CE1 PHE A 188 2.334 -1.155 6.927 1.00 0.00 C ATOM 229 CE2 PHE A 188 3.019 -2.371 4.944 1.00 0.00 C ATOM 230 CZ PHE A 188 2.222 -2.272 6.091 1.00 0.00 C ATOM 0 H PHE A 188 4.075 0.959 2.824 1.00 0.00 H new ATOM 0 HA PHE A 188 3.397 2.239 5.271 1.00 0.00 H new ATOM 0 HB2 PHE A 188 5.739 0.523 4.387 1.00 0.00 H new ATOM 0 HB3 PHE A 188 5.609 1.129 6.026 1.00 0.00 H new ATOM 0 HD1 PHE A 188 3.333 0.723 7.265 1.00 0.00 H new ATOM 0 HD2 PHE A 188 4.542 -1.429 3.746 1.00 0.00 H new ATOM 0 HE1 PHE A 188 1.717 -1.077 7.810 1.00 0.00 H new ATOM 0 HE2 PHE A 188 2.931 -3.233 4.299 1.00 0.00 H new ATOM 0 HZ PHE A 188 1.521 -3.058 6.331 1.00 0.00 H new ATOM 240 N SER A 189 6.002 3.489 3.703 1.00 0.00 N ATOM 241 CA SER A 189 6.862 4.698 3.719 1.00 0.00 C ATOM 242 C SER A 189 5.957 5.917 3.610 1.00 0.00 C ATOM 243 O SER A 189 6.110 6.893 4.323 1.00 0.00 O ATOM 244 CB SER A 189 7.836 4.677 2.537 1.00 0.00 C ATOM 245 OG SER A 189 7.106 4.701 1.319 1.00 0.00 O ATOM 0 H SER A 189 6.136 2.857 2.913 1.00 0.00 H new ATOM 0 HA SER A 189 7.443 4.728 4.641 1.00 0.00 H new ATOM 0 HB2 SER A 189 8.505 5.536 2.589 1.00 0.00 H new ATOM 0 HB3 SER A 189 8.459 3.784 2.582 1.00 0.00 H new ATOM 0 HG SER A 189 6.326 4.113 1.394 1.00 0.00 H new ATOM 251 N ALA A 190 4.990 5.857 2.739 1.00 0.00 N ATOM 252 CA ALA A 190 4.061 7.002 2.602 1.00 0.00 C ATOM 253 C ALA A 190 3.231 7.105 3.876 1.00 0.00 C ATOM 254 O ALA A 190 3.100 8.163 4.457 1.00 0.00 O ATOM 255 CB ALA A 190 3.147 6.788 1.392 1.00 0.00 C ATOM 0 H ALA A 190 4.806 5.067 2.121 1.00 0.00 H new ATOM 0 HA ALA A 190 4.622 7.924 2.451 1.00 0.00 H new ATOM 0 HB1 ALA A 190 2.466 7.634 1.296 1.00 0.00 H new ATOM 0 HB2 ALA A 190 3.752 6.706 0.489 1.00 0.00 H new ATOM 0 HB3 ALA A 190 2.572 5.872 1.528 1.00 0.00 H new ATOM 261 N PHE A 191 2.676 6.004 4.323 1.00 0.00 N ATOM 262 CA PHE A 191 1.853 6.041 5.563 1.00 0.00 C ATOM 263 C PHE A 191 2.733 6.364 6.766 1.00 0.00 C ATOM 264 O PHE A 191 2.258 6.850 7.775 1.00 0.00 O ATOM 265 CB PHE A 191 1.101 4.711 5.767 1.00 0.00 C ATOM 266 CG PHE A 191 -0.134 4.708 4.892 1.00 0.00 C ATOM 267 CD1 PHE A 191 -1.188 5.577 5.188 1.00 0.00 C ATOM 268 CD2 PHE A 191 -0.219 3.858 3.788 1.00 0.00 C ATOM 269 CE1 PHE A 191 -2.330 5.598 4.382 1.00 0.00 C ATOM 270 CE2 PHE A 191 -1.361 3.877 2.973 1.00 0.00 C ATOM 271 CZ PHE A 191 -2.418 4.749 3.272 1.00 0.00 C ATOM 0 H PHE A 191 2.759 5.088 3.882 1.00 0.00 H new ATOM 0 HA PHE A 191 1.106 6.828 5.460 1.00 0.00 H new ATOM 0 HB2 PHE A 191 1.746 3.870 5.512 1.00 0.00 H new ATOM 0 HB3 PHE A 191 0.822 4.592 6.814 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -1.120 6.234 6.042 1.00 0.00 H new ATOM 0 HD2 PHE A 191 0.595 3.185 3.561 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -3.144 6.269 4.615 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -1.426 3.221 2.117 1.00 0.00 H new ATOM 0 HZ PHE A 191 -3.299 4.766 2.647 1.00 0.00 H new ATOM 281 N GLU A 192 4.014 6.142 6.670 1.00 0.00 N ATOM 282 CA GLU A 192 4.893 6.495 7.819 1.00 0.00 C ATOM 283 C GLU A 192 4.949 8.022 7.910 1.00 0.00 C ATOM 284 O GLU A 192 5.200 8.586 8.957 1.00 0.00 O ATOM 285 CB GLU A 192 6.310 5.941 7.610 1.00 0.00 C ATOM 286 CG GLU A 192 7.157 6.207 8.864 1.00 0.00 C ATOM 287 CD GLU A 192 7.642 7.660 8.858 1.00 0.00 C ATOM 288 OE1 GLU A 192 8.133 8.095 7.830 1.00 0.00 O ATOM 289 OE2 GLU A 192 7.513 8.314 9.881 1.00 0.00 O ATOM 0 H GLU A 192 4.484 5.738 5.860 1.00 0.00 H new ATOM 0 HA GLU A 192 4.494 6.063 8.737 1.00 0.00 H new ATOM 0 HB2 GLU A 192 6.267 4.871 7.408 1.00 0.00 H new ATOM 0 HB3 GLU A 192 6.771 6.411 6.741 1.00 0.00 H new ATOM 0 HG2 GLU A 192 6.568 6.013 9.761 1.00 0.00 H new ATOM 0 HG3 GLU A 192 8.010 5.529 8.890 1.00 0.00 H new ATOM 296 N LYS A 193 4.719 8.696 6.809 1.00 0.00 N ATOM 297 CA LYS A 193 4.761 10.191 6.813 1.00 0.00 C ATOM 298 C LYS A 193 3.396 10.752 7.209 1.00 0.00 C ATOM 299 O LYS A 193 3.301 11.765 7.871 1.00 0.00 O ATOM 300 CB LYS A 193 5.113 10.689 5.407 1.00 0.00 C ATOM 301 CG LYS A 193 6.467 10.110 4.963 1.00 0.00 C ATOM 302 CD LYS A 193 7.601 11.006 5.460 1.00 0.00 C ATOM 303 CE LYS A 193 8.934 10.460 4.961 1.00 0.00 C ATOM 304 NZ LYS A 193 10.019 11.412 5.322 1.00 0.00 N ATOM 0 H LYS A 193 4.504 8.273 5.906 1.00 0.00 H new ATOM 0 HA LYS A 193 5.511 10.525 7.530 1.00 0.00 H new ATOM 0 HB2 LYS A 193 4.335 10.394 4.703 1.00 0.00 H new ATOM 0 HB3 LYS A 193 5.154 11.778 5.399 1.00 0.00 H new ATOM 0 HG2 LYS A 193 6.589 9.101 5.358 1.00 0.00 H new ATOM 0 HG3 LYS A 193 6.501 10.033 3.876 1.00 0.00 H new ATOM 0 HD2 LYS A 193 7.457 12.026 5.103 1.00 0.00 H new ATOM 0 HD3 LYS A 193 7.597 11.046 6.549 1.00 0.00 H new ATOM 0 HE2 LYS A 193 9.129 9.483 5.404 1.00 0.00 H new ATOM 0 HE3 LYS A 193 8.902 10.320 3.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 193 10.931 11.044 4.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 193 9.833 12.335 4.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 193 10.053 11.524 6.355 1.00 0.00 H new ATOM 318 N HIS A 194 2.336 10.108 6.811 1.00 0.00 N ATOM 319 CA HIS A 194 0.980 10.612 7.173 1.00 0.00 C ATOM 320 C HIS A 194 -0.002 9.450 7.249 1.00 0.00 C ATOM 321 O HIS A 194 0.075 8.502 6.509 1.00 0.00 O ATOM 322 CB HIS A 194 0.501 11.622 6.133 1.00 0.00 C ATOM 323 CG HIS A 194 1.336 12.865 6.228 1.00 0.00 C ATOM 324 ND1 HIS A 194 2.192 13.265 5.214 1.00 0.00 N ATOM 325 CD2 HIS A 194 1.444 13.815 7.208 1.00 0.00 C ATOM 326 CE1 HIS A 194 2.769 14.417 5.603 1.00 0.00 C ATOM 327 NE2 HIS A 194 2.348 14.797 6.813 1.00 0.00 N ATOM 0 H HIS A 194 2.348 9.255 6.251 1.00 0.00 H new ATOM 0 HA HIS A 194 1.035 11.101 8.146 1.00 0.00 H new ATOM 0 HB2 HIS A 194 0.576 11.195 5.133 1.00 0.00 H new ATOM 0 HB3 HIS A 194 -0.549 11.862 6.299 1.00 0.00 H new ATOM 0 HD2 HIS A 194 0.909 13.804 8.146 1.00 0.00 H new ATOM 0 HE1 HIS A 194 3.485 14.967 5.010 1.00 0.00 H new ATOM 0 HE2 HIS A 194 2.629 15.627 7.335 1.00 0.00 H new ATOM 335 N GLN A 195 -0.922 9.518 8.155 1.00 0.00 N ATOM 336 CA GLN A 195 -1.913 8.418 8.310 1.00 0.00 C ATOM 337 C GLN A 195 -2.856 8.336 7.093 1.00 0.00 C ATOM 338 O GLN A 195 -3.432 7.299 6.826 1.00 0.00 O ATOM 339 CB GLN A 195 -2.733 8.676 9.582 1.00 0.00 C ATOM 340 CG GLN A 195 -3.660 7.490 9.866 1.00 0.00 C ATOM 341 CD GLN A 195 -2.832 6.241 10.175 1.00 0.00 C ATOM 342 OE1 GLN A 195 -2.239 6.136 11.231 1.00 0.00 O ATOM 343 NE2 GLN A 195 -2.767 5.282 9.293 1.00 0.00 N ATOM 0 H GLN A 195 -1.037 10.295 8.806 1.00 0.00 H new ATOM 0 HA GLN A 195 -1.380 7.470 8.382 1.00 0.00 H new ATOM 0 HB2 GLN A 195 -2.064 8.835 10.428 1.00 0.00 H new ATOM 0 HB3 GLN A 195 -3.321 9.586 9.465 1.00 0.00 H new ATOM 0 HG2 GLN A 195 -4.312 7.721 10.708 1.00 0.00 H new ATOM 0 HG3 GLN A 195 -4.303 7.306 9.005 1.00 0.00 H new ATOM 0 HE21 GLN A 195 -3.264 5.370 8.407 1.00 0.00 H new ATOM 0 HE22 GLN A 195 -2.219 4.445 9.490 1.00 0.00 H new ATOM 352 N TYR A 196 -3.073 9.432 6.395 1.00 0.00 N ATOM 353 CA TYR A 196 -4.048 9.429 5.243 1.00 0.00 C ATOM 354 C TYR A 196 -3.412 9.770 3.888 1.00 0.00 C ATOM 355 O TYR A 196 -2.540 10.607 3.775 1.00 0.00 O ATOM 356 CB TYR A 196 -5.110 10.480 5.539 1.00 0.00 C ATOM 357 CG TYR A 196 -5.879 10.082 6.771 1.00 0.00 C ATOM 358 CD1 TYR A 196 -6.955 9.194 6.666 1.00 0.00 C ATOM 359 CD2 TYR A 196 -5.519 10.605 8.019 1.00 0.00 C ATOM 360 CE1 TYR A 196 -7.673 8.827 7.806 1.00 0.00 C ATOM 361 CE2 TYR A 196 -6.236 10.238 9.162 1.00 0.00 C ATOM 362 CZ TYR A 196 -7.316 9.351 9.057 1.00 0.00 C ATOM 363 OH TYR A 196 -8.022 8.989 10.185 1.00 0.00 O ATOM 0 H TYR A 196 -2.619 10.328 6.571 1.00 0.00 H new ATOM 0 HA TYR A 196 -4.449 8.419 5.160 1.00 0.00 H new ATOM 0 HB2 TYR A 196 -4.642 11.453 5.688 1.00 0.00 H new ATOM 0 HB3 TYR A 196 -5.787 10.578 4.690 1.00 0.00 H new ATOM 0 HD1 TYR A 196 -7.231 8.792 5.702 1.00 0.00 H new ATOM 0 HD2 TYR A 196 -4.689 11.291 8.099 1.00 0.00 H new ATOM 0 HE1 TYR A 196 -8.503 8.140 7.724 1.00 0.00 H new ATOM 0 HE2 TYR A 196 -5.958 10.638 10.126 1.00 0.00 H new ATOM 0 HH TYR A 196 -7.643 9.442 10.967 1.00 0.00 H new ATOM 373 N TYR A 197 -3.911 9.134 2.851 1.00 0.00 N ATOM 374 CA TYR A 197 -3.431 9.400 1.458 1.00 0.00 C ATOM 375 C TYR A 197 -4.583 9.158 0.470 1.00 0.00 C ATOM 376 O TYR A 197 -5.270 8.158 0.541 1.00 0.00 O ATOM 377 CB TYR A 197 -2.252 8.475 1.120 1.00 0.00 C ATOM 378 CG TYR A 197 -0.967 9.048 1.672 1.00 0.00 C ATOM 379 CD1 TYR A 197 -0.546 8.734 2.965 1.00 0.00 C ATOM 380 CD2 TYR A 197 -0.194 9.895 0.872 1.00 0.00 C ATOM 381 CE1 TYR A 197 0.652 9.268 3.456 1.00 0.00 C ATOM 382 CE2 TYR A 197 1.002 10.432 1.361 1.00 0.00 C ATOM 383 CZ TYR A 197 1.427 10.119 2.655 1.00 0.00 C ATOM 384 OH TYR A 197 2.609 10.648 3.140 1.00 0.00 O ATOM 0 H TYR A 197 -4.645 8.429 2.916 1.00 0.00 H new ATOM 0 HA TYR A 197 -3.097 10.435 1.383 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.426 7.484 1.538 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -2.171 8.356 0.040 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -1.142 8.081 3.585 1.00 0.00 H new ATOM 0 HD2 TYR A 197 -0.522 10.136 -0.128 1.00 0.00 H new ATOM 0 HE1 TYR A 197 0.980 9.023 4.455 1.00 0.00 H new ATOM 0 HE2 TYR A 197 1.595 11.087 0.740 1.00 0.00 H new ATOM 0 HH TYR A 197 2.410 11.392 3.745 1.00 0.00 H new ATOM 394 N ASN A 198 -4.795 10.060 -0.460 1.00 0.00 N ATOM 395 CA ASN A 198 -5.895 9.864 -1.457 1.00 0.00 C ATOM 396 C ASN A 198 -5.335 9.117 -2.678 1.00 0.00 C ATOM 397 O ASN A 198 -4.145 8.895 -2.789 1.00 0.00 O ATOM 398 CB ASN A 198 -6.468 11.223 -1.891 1.00 0.00 C ATOM 399 CG ASN A 198 -5.463 11.974 -2.764 1.00 0.00 C ATOM 400 OD1 ASN A 198 -4.270 11.764 -2.665 1.00 0.00 O ATOM 401 ND2 ASN A 198 -5.908 12.849 -3.626 1.00 0.00 N ATOM 0 H ASN A 198 -4.256 10.919 -0.571 1.00 0.00 H new ATOM 0 HA ASN A 198 -6.696 9.280 -1.004 1.00 0.00 H new ATOM 0 HB2 ASN A 198 -7.397 11.073 -2.442 1.00 0.00 H new ATOM 0 HB3 ASN A 198 -6.711 11.819 -1.012 1.00 0.00 H new ATOM 0 HD21 ASN A 198 -5.253 13.359 -4.219 1.00 0.00 H new ATOM 0 HD22 ASN A 198 -6.910 13.022 -3.706 1.00 0.00 H new ATOM 408 N LEU A 199 -6.186 8.728 -3.589 1.00 0.00 N ATOM 409 CA LEU A 199 -5.718 7.991 -4.805 1.00 0.00 C ATOM 410 C LEU A 199 -4.714 8.829 -5.620 1.00 0.00 C ATOM 411 O LEU A 199 -3.736 8.311 -6.119 1.00 0.00 O ATOM 412 CB LEU A 199 -6.926 7.660 -5.688 1.00 0.00 C ATOM 413 CG LEU A 199 -7.875 6.700 -4.953 1.00 0.00 C ATOM 414 CD1 LEU A 199 -9.118 6.471 -5.814 1.00 0.00 C ATOM 415 CD2 LEU A 199 -7.183 5.348 -4.687 1.00 0.00 C ATOM 0 H LEU A 199 -7.192 8.889 -3.545 1.00 0.00 H new ATOM 0 HA LEU A 199 -5.218 7.079 -4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.455 8.576 -5.950 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -6.590 7.207 -6.621 1.00 0.00 H new ATOM 0 HG LEU A 199 -8.154 7.143 -3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -9.797 5.791 -5.300 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -9.621 7.422 -5.988 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -8.824 6.036 -6.769 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -7.872 4.683 -4.166 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -6.890 4.897 -5.635 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -6.297 5.507 -4.072 1.00 0.00 H new ATOM 427 N LYS A 200 -4.955 10.103 -5.800 1.00 0.00 N ATOM 428 CA LYS A 200 -4.004 10.923 -6.617 1.00 0.00 C ATOM 429 C LYS A 200 -2.597 10.920 -6.018 1.00 0.00 C ATOM 430 O LYS A 200 -1.610 10.897 -6.723 1.00 0.00 O ATOM 431 CB LYS A 200 -4.485 12.362 -6.719 1.00 0.00 C ATOM 432 CG LYS A 200 -3.492 13.148 -7.584 1.00 0.00 C ATOM 433 CD LYS A 200 -4.118 14.463 -8.060 1.00 0.00 C ATOM 434 CE LYS A 200 -5.293 14.195 -9.025 1.00 0.00 C ATOM 435 NZ LYS A 200 -6.581 14.180 -8.264 1.00 0.00 N ATOM 0 H LYS A 200 -5.757 10.607 -5.423 1.00 0.00 H new ATOM 0 HA LYS A 200 -3.969 10.471 -7.608 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -5.481 12.398 -7.159 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -4.559 12.808 -5.727 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -2.587 13.355 -7.012 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -3.195 12.548 -8.444 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -4.470 15.035 -7.201 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -3.363 15.070 -8.559 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -5.325 14.965 -9.796 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -5.149 13.241 -9.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -7.063 13.271 -8.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -6.386 14.303 -7.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -7.190 14.955 -8.596 1.00 0.00 H new ATOM 449 N ASP A 201 -2.487 10.980 -4.730 1.00 0.00 N ATOM 450 CA ASP A 201 -1.137 10.999 -4.112 1.00 0.00 C ATOM 451 C ASP A 201 -0.477 9.637 -4.302 1.00 0.00 C ATOM 452 O ASP A 201 0.704 9.535 -4.544 1.00 0.00 O ATOM 453 CB ASP A 201 -1.270 11.286 -2.623 1.00 0.00 C ATOM 454 CG ASP A 201 -1.707 12.737 -2.418 1.00 0.00 C ATOM 455 OD1 ASP A 201 -1.533 13.522 -3.337 1.00 0.00 O ATOM 456 OD2 ASP A 201 -2.205 13.038 -1.346 1.00 0.00 O ATOM 0 H ASP A 201 -3.269 11.017 -4.076 1.00 0.00 H new ATOM 0 HA ASP A 201 -0.530 11.772 -4.583 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -1.998 10.610 -2.175 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -0.319 11.108 -2.121 1.00 0.00 H new ATOM 461 N LEU A 202 -1.240 8.593 -4.191 1.00 0.00 N ATOM 462 CA LEU A 202 -0.675 7.224 -4.343 1.00 0.00 C ATOM 463 C LEU A 202 -0.050 7.041 -5.728 1.00 0.00 C ATOM 464 O LEU A 202 0.987 6.421 -5.863 1.00 0.00 O ATOM 465 CB LEU A 202 -1.802 6.203 -4.140 1.00 0.00 C ATOM 466 CG LEU A 202 -2.199 6.147 -2.647 1.00 0.00 C ATOM 467 CD1 LEU A 202 -3.600 5.514 -2.497 1.00 0.00 C ATOM 468 CD2 LEU A 202 -1.167 5.319 -1.844 1.00 0.00 C ATOM 0 H LEU A 202 -2.241 8.626 -4.000 1.00 0.00 H new ATOM 0 HA LEU A 202 0.108 7.075 -3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 202 -2.666 6.477 -4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 202 -1.477 5.218 -4.476 1.00 0.00 H new ATOM 0 HG LEU A 202 -2.218 7.164 -2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 202 -3.872 5.478 -1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 202 -4.330 6.114 -3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 202 -3.588 4.502 -2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 202 -1.461 5.290 -0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 202 -1.129 4.304 -2.239 1.00 0.00 H new ATOM 0 HD23 LEU A 202 -0.183 5.780 -1.932 1.00 0.00 H new ATOM 480 N VAL A 203 -0.649 7.562 -6.759 1.00 0.00 N ATOM 481 CA VAL A 203 -0.045 7.379 -8.107 1.00 0.00 C ATOM 482 C VAL A 203 1.285 8.127 -8.193 1.00 0.00 C ATOM 483 O VAL A 203 2.264 7.605 -8.692 1.00 0.00 O ATOM 484 CB VAL A 203 -1.001 7.846 -9.205 1.00 0.00 C ATOM 485 CG1 VAL A 203 -2.147 6.850 -9.346 1.00 0.00 C ATOM 486 CG2 VAL A 203 -1.586 9.199 -8.848 1.00 0.00 C ATOM 0 H VAL A 203 -1.516 8.098 -6.731 1.00 0.00 H new ATOM 0 HA VAL A 203 0.141 6.316 -8.259 1.00 0.00 H new ATOM 0 HB VAL A 203 -0.445 7.918 -10.140 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -2.827 7.186 -10.129 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -1.747 5.870 -9.608 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -2.687 6.781 -8.402 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -2.265 9.521 -9.637 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -2.132 9.123 -7.908 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -0.781 9.927 -8.742 1.00 0.00 H new ATOM 496 N ASP A 204 1.346 9.335 -7.710 1.00 0.00 N ATOM 497 CA ASP A 204 2.633 10.074 -7.770 1.00 0.00 C ATOM 498 C ASP A 204 3.695 9.234 -7.056 1.00 0.00 C ATOM 499 O ASP A 204 4.809 9.082 -7.521 1.00 0.00 O ATOM 500 CB ASP A 204 2.472 11.429 -7.073 1.00 0.00 C ATOM 501 CG ASP A 204 3.665 12.324 -7.406 1.00 0.00 C ATOM 502 OD1 ASP A 204 4.518 11.883 -8.158 1.00 0.00 O ATOM 503 OD2 ASP A 204 3.702 13.436 -6.907 1.00 0.00 O ATOM 0 H ASP A 204 0.569 9.837 -7.281 1.00 0.00 H new ATOM 0 HA ASP A 204 2.932 10.248 -8.804 1.00 0.00 H new ATOM 0 HB2 ASP A 204 1.546 11.906 -7.394 1.00 0.00 H new ATOM 0 HB3 ASP A 204 2.401 11.288 -5.995 1.00 0.00 H new ATOM 508 N ILE A 205 3.339 8.666 -5.937 1.00 0.00 N ATOM 509 CA ILE A 205 4.293 7.807 -5.184 1.00 0.00 C ATOM 510 C ILE A 205 4.532 6.521 -5.973 1.00 0.00 C ATOM 511 O ILE A 205 5.548 5.872 -5.839 1.00 0.00 O ATOM 512 CB ILE A 205 3.699 7.460 -3.821 1.00 0.00 C ATOM 513 CG1 ILE A 205 3.359 8.748 -3.069 1.00 0.00 C ATOM 514 CG2 ILE A 205 4.728 6.671 -3.022 1.00 0.00 C ATOM 515 CD1 ILE A 205 2.508 8.425 -1.838 1.00 0.00 C ATOM 0 H ILE A 205 2.418 8.762 -5.509 1.00 0.00 H new ATOM 0 HA ILE A 205 5.235 8.337 -5.044 1.00 0.00 H new ATOM 0 HB ILE A 205 2.794 6.868 -3.954 1.00 0.00 H new ATOM 0 HG12 ILE A 205 4.275 9.255 -2.765 1.00 0.00 H new ATOM 0 HG13 ILE A 205 2.820 9.431 -3.725 1.00 0.00 H new ATOM 0 HG21 ILE A 205 4.314 6.418 -2.046 1.00 0.00 H new ATOM 0 HG22 ILE A 205 4.981 5.756 -3.558 1.00 0.00 H new ATOM 0 HG23 ILE A 205 5.626 7.274 -2.890 1.00 0.00 H new ATOM 0 HD11 ILE A 205 2.270 9.347 -1.308 1.00 0.00 H new ATOM 0 HD12 ILE A 205 1.585 7.938 -2.152 1.00 0.00 H new ATOM 0 HD13 ILE A 205 3.063 7.759 -1.177 1.00 0.00 H new ATOM 527 N THR A 206 3.583 6.145 -6.790 1.00 0.00 N ATOM 528 CA THR A 206 3.715 4.896 -7.590 1.00 0.00 C ATOM 529 C THR A 206 3.060 5.091 -8.959 1.00 0.00 C ATOM 530 O THR A 206 1.860 5.160 -9.084 1.00 0.00 O ATOM 531 CB THR A 206 3.005 3.760 -6.857 1.00 0.00 C ATOM 532 OG1 THR A 206 1.666 4.143 -6.590 1.00 0.00 O ATOM 533 CG2 THR A 206 3.727 3.448 -5.546 1.00 0.00 C ATOM 0 H THR A 206 2.713 6.657 -6.937 1.00 0.00 H new ATOM 0 HA THR A 206 4.770 4.657 -7.722 1.00 0.00 H new ATOM 0 HB THR A 206 3.013 2.866 -7.481 1.00 0.00 H new ATOM 0 HG1 THR A 206 1.656 4.833 -5.894 1.00 0.00 H new ATOM 0 HG21 THR A 206 3.212 2.637 -5.031 1.00 0.00 H new ATOM 0 HG22 THR A 206 4.754 3.150 -5.758 1.00 0.00 H new ATOM 0 HG23 THR A 206 3.730 4.335 -4.912 1.00 0.00 H new ATOM 541 N LYS A 207 3.847 5.169 -9.986 1.00 0.00 N ATOM 542 CA LYS A 207 3.287 5.364 -11.355 1.00 0.00 C ATOM 543 C LYS A 207 2.583 4.084 -11.821 1.00 0.00 C ATOM 544 O LYS A 207 2.413 3.862 -13.001 1.00 0.00 O ATOM 545 CB LYS A 207 4.431 5.700 -12.319 1.00 0.00 C ATOM 546 CG LYS A 207 5.061 7.036 -11.906 1.00 0.00 C ATOM 547 CD LYS A 207 6.037 7.528 -12.984 1.00 0.00 C ATOM 548 CE LYS A 207 7.377 6.800 -12.845 1.00 0.00 C ATOM 549 NZ LYS A 207 7.972 7.124 -11.518 1.00 0.00 N ATOM 0 H LYS A 207 4.864 5.106 -9.942 1.00 0.00 H new ATOM 0 HA LYS A 207 2.564 6.179 -11.339 1.00 0.00 H new ATOM 0 HB2 LYS A 207 5.181 4.910 -12.302 1.00 0.00 H new ATOM 0 HB3 LYS A 207 4.056 5.761 -13.341 1.00 0.00 H new ATOM 0 HG2 LYS A 207 4.280 7.780 -11.748 1.00 0.00 H new ATOM 0 HG3 LYS A 207 5.586 6.919 -10.958 1.00 0.00 H new ATOM 0 HD2 LYS A 207 5.618 7.351 -13.975 1.00 0.00 H new ATOM 0 HD3 LYS A 207 6.186 8.604 -12.889 1.00 0.00 H new ATOM 0 HE2 LYS A 207 7.232 5.724 -12.939 1.00 0.00 H new ATOM 0 HE3 LYS A 207 8.054 7.102 -13.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 9.009 7.127 -11.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 7.644 8.062 -11.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 7.678 6.409 -10.822 1.00 0.00 H new ATOM 563 N GLN A 208 2.170 3.233 -10.911 1.00 0.00 N ATOM 564 CA GLN A 208 1.483 1.973 -11.333 1.00 0.00 C ATOM 565 C GLN A 208 -0.031 2.245 -11.519 1.00 0.00 C ATOM 566 O GLN A 208 -0.609 3.032 -10.794 1.00 0.00 O ATOM 567 CB GLN A 208 1.685 0.897 -10.254 1.00 0.00 C ATOM 568 CG GLN A 208 3.158 0.455 -10.210 1.00 0.00 C ATOM 569 CD GLN A 208 3.996 1.479 -9.433 1.00 0.00 C ATOM 570 OE1 GLN A 208 4.275 2.554 -9.926 1.00 0.00 O ATOM 571 NE2 GLN A 208 4.432 1.176 -8.240 1.00 0.00 N ATOM 0 H GLN A 208 2.278 3.355 -9.904 1.00 0.00 H new ATOM 0 HA GLN A 208 1.905 1.626 -12.276 1.00 0.00 H new ATOM 0 HB2 GLN A 208 1.386 1.287 -9.281 1.00 0.00 H new ATOM 0 HB3 GLN A 208 1.047 0.038 -10.463 1.00 0.00 H new ATOM 0 HG2 GLN A 208 3.237 -0.524 -9.738 1.00 0.00 H new ATOM 0 HG3 GLN A 208 3.545 0.352 -11.224 1.00 0.00 H new ATOM 0 HE21 GLN A 208 4.198 0.274 -7.825 1.00 0.00 H new ATOM 0 HE22 GLN A 208 5.006 1.842 -7.723 1.00 0.00 H new ATOM 580 N PRO A 209 -0.678 1.599 -12.478 1.00 0.00 N ATOM 581 CA PRO A 209 -2.141 1.795 -12.730 1.00 0.00 C ATOM 582 C PRO A 209 -2.945 1.880 -11.425 1.00 0.00 C ATOM 583 O PRO A 209 -2.756 1.090 -10.523 1.00 0.00 O ATOM 584 CB PRO A 209 -2.535 0.540 -13.524 1.00 0.00 C ATOM 585 CG PRO A 209 -1.293 0.137 -14.261 1.00 0.00 C ATOM 586 CD PRO A 209 -0.098 0.619 -13.421 1.00 0.00 C ATOM 0 HA PRO A 209 -2.347 2.728 -13.254 1.00 0.00 H new ATOM 0 HB2 PRO A 209 -2.875 -0.255 -12.861 1.00 0.00 H new ATOM 0 HB3 PRO A 209 -3.352 0.751 -14.214 1.00 0.00 H new ATOM 0 HG2 PRO A 209 -1.258 -0.944 -14.397 1.00 0.00 H new ATOM 0 HG3 PRO A 209 -1.272 0.584 -15.255 1.00 0.00 H new ATOM 0 HD2 PRO A 209 0.375 -0.209 -12.892 1.00 0.00 H new ATOM 0 HD3 PRO A 209 0.668 1.076 -14.047 1.00 0.00 H new ATOM 594 N VAL A 210 -3.849 2.820 -11.319 1.00 0.00 N ATOM 595 CA VAL A 210 -4.662 2.930 -10.077 1.00 0.00 C ATOM 596 C VAL A 210 -5.431 1.628 -9.877 1.00 0.00 C ATOM 597 O VAL A 210 -5.544 1.113 -8.780 1.00 0.00 O ATOM 598 CB VAL A 210 -5.634 4.105 -10.206 1.00 0.00 C ATOM 599 CG1 VAL A 210 -4.841 5.408 -10.384 1.00 0.00 C ATOM 600 CG2 VAL A 210 -6.547 3.883 -11.414 1.00 0.00 C ATOM 0 H VAL A 210 -4.057 3.513 -12.038 1.00 0.00 H new ATOM 0 HA VAL A 210 -4.015 3.104 -9.217 1.00 0.00 H new ATOM 0 HB VAL A 210 -6.243 4.176 -9.305 1.00 0.00 H new ATOM 0 HG11 VAL A 210 -5.533 6.245 -10.476 1.00 0.00 H new ATOM 0 HG12 VAL A 210 -4.197 5.563 -9.519 1.00 0.00 H new ATOM 0 HG13 VAL A 210 -4.230 5.342 -11.284 1.00 0.00 H new ATOM 0 HG21 VAL A 210 -7.239 4.720 -11.506 1.00 0.00 H new ATOM 0 HG22 VAL A 210 -5.943 3.811 -12.318 1.00 0.00 H new ATOM 0 HG23 VAL A 210 -7.110 2.960 -11.280 1.00 0.00 H new ATOM 610 N VAL A 211 -5.952 1.088 -10.939 1.00 0.00 N ATOM 611 CA VAL A 211 -6.712 -0.184 -10.841 1.00 0.00 C ATOM 612 C VAL A 211 -5.846 -1.220 -10.135 1.00 0.00 C ATOM 613 O VAL A 211 -6.324 -2.036 -9.373 1.00 0.00 O ATOM 614 CB VAL A 211 -7.040 -0.697 -12.249 1.00 0.00 C ATOM 615 CG1 VAL A 211 -8.047 -1.839 -12.135 1.00 0.00 C ATOM 616 CG2 VAL A 211 -7.621 0.433 -13.111 1.00 0.00 C ATOM 0 H VAL A 211 -5.883 1.477 -11.879 1.00 0.00 H new ATOM 0 HA VAL A 211 -7.635 -0.016 -10.286 1.00 0.00 H new ATOM 0 HB VAL A 211 -6.127 -1.054 -12.726 1.00 0.00 H new ATOM 0 HG11 VAL A 211 -8.288 -2.212 -13.130 1.00 0.00 H new ATOM 0 HG12 VAL A 211 -7.618 -2.645 -11.540 1.00 0.00 H new ATOM 0 HG13 VAL A 211 -8.955 -1.477 -11.654 1.00 0.00 H new ATOM 0 HG21 VAL A 211 -7.848 0.051 -14.106 1.00 0.00 H new ATOM 0 HG22 VAL A 211 -8.534 0.810 -12.650 1.00 0.00 H new ATOM 0 HG23 VAL A 211 -6.894 1.241 -13.189 1.00 0.00 H new ATOM 626 N TYR A 212 -4.570 -1.191 -10.390 1.00 0.00 N ATOM 627 CA TYR A 212 -3.664 -2.174 -9.737 1.00 0.00 C ATOM 628 C TYR A 212 -3.488 -1.766 -8.278 1.00 0.00 C ATOM 629 O TYR A 212 -3.586 -2.574 -7.376 1.00 0.00 O ATOM 630 CB TYR A 212 -2.308 -2.180 -10.457 1.00 0.00 C ATOM 631 CG TYR A 212 -1.416 -3.263 -9.882 1.00 0.00 C ATOM 632 CD1 TYR A 212 -1.593 -4.598 -10.269 1.00 0.00 C ATOM 633 CD2 TYR A 212 -0.408 -2.931 -8.968 1.00 0.00 C ATOM 634 CE1 TYR A 212 -0.764 -5.598 -9.742 1.00 0.00 C ATOM 635 CE2 TYR A 212 0.420 -3.931 -8.441 1.00 0.00 C ATOM 636 CZ TYR A 212 0.242 -5.264 -8.828 1.00 0.00 C ATOM 637 OH TYR A 212 1.061 -6.247 -8.309 1.00 0.00 O ATOM 0 H TYR A 212 -4.115 -0.531 -11.021 1.00 0.00 H new ATOM 0 HA TYR A 212 -4.087 -3.177 -9.790 1.00 0.00 H new ATOM 0 HB2 TYR A 212 -2.455 -2.348 -11.524 1.00 0.00 H new ATOM 0 HB3 TYR A 212 -1.827 -1.208 -10.351 1.00 0.00 H new ATOM 0 HD1 TYR A 212 -2.369 -4.857 -10.974 1.00 0.00 H new ATOM 0 HD2 TYR A 212 -0.269 -1.903 -8.669 1.00 0.00 H new ATOM 0 HE1 TYR A 212 -0.902 -6.627 -10.041 1.00 0.00 H new ATOM 0 HE2 TYR A 212 1.196 -3.673 -7.736 1.00 0.00 H new ATOM 0 HH TYR A 212 1.663 -6.575 -9.010 1.00 0.00 H new ATOM 647 N LEU A 213 -3.250 -0.508 -8.038 1.00 0.00 N ATOM 648 CA LEU A 213 -3.090 -0.037 -6.638 1.00 0.00 C ATOM 649 C LEU A 213 -4.406 -0.220 -5.878 1.00 0.00 C ATOM 650 O LEU A 213 -4.420 -0.639 -4.737 1.00 0.00 O ATOM 651 CB LEU A 213 -2.713 1.448 -6.636 1.00 0.00 C ATOM 652 CG LEU A 213 -1.263 1.641 -7.117 1.00 0.00 C ATOM 653 CD1 LEU A 213 -1.101 3.057 -7.672 1.00 0.00 C ATOM 654 CD2 LEU A 213 -0.296 1.466 -5.936 1.00 0.00 C ATOM 0 H LEU A 213 -3.159 0.214 -8.753 1.00 0.00 H new ATOM 0 HA LEU A 213 -2.304 -0.617 -6.154 1.00 0.00 H new ATOM 0 HB2 LEU A 213 -3.393 2.002 -7.283 1.00 0.00 H new ATOM 0 HB3 LEU A 213 -2.826 1.856 -5.631 1.00 0.00 H new ATOM 0 HG LEU A 213 -1.041 0.904 -7.888 1.00 0.00 H new ATOM 0 HD11 LEU A 213 -0.076 3.199 -8.014 1.00 0.00 H new ATOM 0 HD12 LEU A 213 -1.785 3.201 -8.508 1.00 0.00 H new ATOM 0 HD13 LEU A 213 -1.326 3.782 -6.890 1.00 0.00 H new ATOM 0 HD21 LEU A 213 0.729 1.603 -6.281 1.00 0.00 H new ATOM 0 HD22 LEU A 213 -0.522 2.205 -5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 213 -0.407 0.465 -5.520 1.00 0.00 H new ATOM 666 N LYS A 214 -5.515 0.107 -6.498 1.00 0.00 N ATOM 667 CA LYS A 214 -6.828 -0.032 -5.796 1.00 0.00 C ATOM 668 C LYS A 214 -7.055 -1.484 -5.380 1.00 0.00 C ATOM 669 O LYS A 214 -7.539 -1.753 -4.302 1.00 0.00 O ATOM 670 CB LYS A 214 -7.986 0.419 -6.706 1.00 0.00 C ATOM 671 CG LYS A 214 -7.968 1.955 -6.862 1.00 0.00 C ATOM 672 CD LYS A 214 -9.301 2.472 -7.475 1.00 0.00 C ATOM 673 CE LYS A 214 -9.115 2.768 -8.967 1.00 0.00 C ATOM 674 NZ LYS A 214 -10.442 2.969 -9.611 1.00 0.00 N ATOM 0 H LYS A 214 -5.567 0.462 -7.453 1.00 0.00 H new ATOM 0 HA LYS A 214 -6.803 0.603 -4.910 1.00 0.00 H new ATOM 0 HB2 LYS A 214 -7.897 -0.055 -7.683 1.00 0.00 H new ATOM 0 HB3 LYS A 214 -8.938 0.099 -6.282 1.00 0.00 H new ATOM 0 HG2 LYS A 214 -7.807 2.420 -5.890 1.00 0.00 H new ATOM 0 HG3 LYS A 214 -7.133 2.249 -7.498 1.00 0.00 H new ATOM 0 HD2 LYS A 214 -10.086 1.728 -7.339 1.00 0.00 H new ATOM 0 HD3 LYS A 214 -9.624 3.374 -6.955 1.00 0.00 H new ATOM 0 HE2 LYS A 214 -8.499 3.658 -9.096 1.00 0.00 H new ATOM 0 HE3 LYS A 214 -8.588 1.944 -9.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 214 -10.310 3.169 -10.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 214 -11.015 2.108 -9.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 214 -10.929 3.770 -9.160 1.00 0.00 H new ATOM 688 N GLU A 215 -6.710 -2.429 -6.202 1.00 0.00 N ATOM 689 CA GLU A 215 -6.928 -3.844 -5.798 1.00 0.00 C ATOM 690 C GLU A 215 -6.143 -4.126 -4.526 1.00 0.00 C ATOM 691 O GLU A 215 -6.608 -4.807 -3.634 1.00 0.00 O ATOM 692 CB GLU A 215 -6.467 -4.780 -6.906 1.00 0.00 C ATOM 693 CG GLU A 215 -7.444 -4.687 -8.076 1.00 0.00 C ATOM 694 CD GLU A 215 -6.818 -5.330 -9.313 1.00 0.00 C ATOM 695 OE1 GLU A 215 -5.623 -5.577 -9.290 1.00 0.00 O ATOM 696 OE2 GLU A 215 -7.543 -5.563 -10.264 1.00 0.00 O ATOM 0 H GLU A 215 -6.293 -2.289 -7.122 1.00 0.00 H new ATOM 0 HA GLU A 215 -7.990 -4.010 -5.618 1.00 0.00 H new ATOM 0 HB2 GLU A 215 -5.462 -4.511 -7.232 1.00 0.00 H new ATOM 0 HB3 GLU A 215 -6.418 -5.805 -6.537 1.00 0.00 H new ATOM 0 HG2 GLU A 215 -8.378 -5.189 -7.825 1.00 0.00 H new ATOM 0 HG3 GLU A 215 -7.688 -3.644 -8.279 1.00 0.00 H new ATOM 703 N ILE A 216 -4.952 -3.614 -4.436 1.00 0.00 N ATOM 704 CA ILE A 216 -4.133 -3.850 -3.217 1.00 0.00 C ATOM 705 C ILE A 216 -4.768 -3.129 -2.025 1.00 0.00 C ATOM 706 O ILE A 216 -4.873 -3.666 -0.940 1.00 0.00 O ATOM 707 CB ILE A 216 -2.732 -3.295 -3.469 1.00 0.00 C ATOM 708 CG1 ILE A 216 -2.051 -4.108 -4.573 1.00 0.00 C ATOM 709 CG2 ILE A 216 -1.900 -3.361 -2.191 1.00 0.00 C ATOM 710 CD1 ILE A 216 -0.798 -3.374 -5.040 1.00 0.00 C ATOM 0 H ILE A 216 -4.508 -3.041 -5.154 1.00 0.00 H new ATOM 0 HA ILE A 216 -4.081 -4.916 -2.996 1.00 0.00 H new ATOM 0 HB ILE A 216 -2.813 -2.254 -3.781 1.00 0.00 H new ATOM 0 HG12 ILE A 216 -1.789 -5.099 -4.202 1.00 0.00 H new ATOM 0 HG13 ILE A 216 -2.735 -4.252 -5.409 1.00 0.00 H new ATOM 0 HG21 ILE A 216 -0.904 -2.963 -2.384 1.00 0.00 H new ATOM 0 HG22 ILE A 216 -2.382 -2.770 -1.412 1.00 0.00 H new ATOM 0 HG23 ILE A 216 -1.819 -4.397 -1.863 1.00 0.00 H new ATOM 0 HD11 ILE A 216 -0.310 -3.950 -5.826 1.00 0.00 H new ATOM 0 HD12 ILE A 216 -1.074 -2.393 -5.427 1.00 0.00 H new ATOM 0 HD13 ILE A 216 -0.113 -3.253 -4.201 1.00 0.00 H new ATOM 722 N LEU A 217 -5.193 -1.915 -2.223 1.00 0.00 N ATOM 723 CA LEU A 217 -5.829 -1.147 -1.116 1.00 0.00 C ATOM 724 C LEU A 217 -7.205 -1.729 -0.806 1.00 0.00 C ATOM 725 O LEU A 217 -7.690 -1.647 0.299 1.00 0.00 O ATOM 726 CB LEU A 217 -5.962 0.313 -1.540 1.00 0.00 C ATOM 727 CG LEU A 217 -4.562 0.912 -1.707 1.00 0.00 C ATOM 728 CD1 LEU A 217 -4.675 2.305 -2.325 1.00 0.00 C ATOM 729 CD2 LEU A 217 -3.851 1.003 -0.337 1.00 0.00 C ATOM 0 H LEU A 217 -5.127 -1.417 -3.111 1.00 0.00 H new ATOM 0 HA LEU A 217 -5.213 -1.213 -0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 217 -6.516 0.385 -2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 217 -6.525 0.873 -0.793 1.00 0.00 H new ATOM 0 HG LEU A 217 -3.976 0.269 -2.363 1.00 0.00 H new ATOM 0 HD11 LEU A 217 -3.679 2.732 -2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 217 -5.158 2.233 -3.300 1.00 0.00 H new ATOM 0 HD13 LEU A 217 -5.269 2.945 -1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 217 -2.857 1.430 -0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 217 -4.432 1.637 0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 217 -3.762 0.006 0.094 1.00 0.00 H new ATOM 741 N LYS A 218 -7.843 -2.315 -1.766 1.00 0.00 N ATOM 742 CA LYS A 218 -9.182 -2.901 -1.502 1.00 0.00 C ATOM 743 C LYS A 218 -9.047 -4.051 -0.498 1.00 0.00 C ATOM 744 O LYS A 218 -9.921 -4.287 0.312 1.00 0.00 O ATOM 745 CB LYS A 218 -9.769 -3.435 -2.808 1.00 0.00 C ATOM 746 CG LYS A 218 -10.286 -2.272 -3.678 1.00 0.00 C ATOM 747 CD LYS A 218 -11.739 -1.950 -3.306 1.00 0.00 C ATOM 748 CE LYS A 218 -12.284 -0.868 -4.238 1.00 0.00 C ATOM 749 NZ LYS A 218 -11.391 0.324 -4.200 1.00 0.00 N ATOM 0 H LYS A 218 -7.501 -2.416 -2.722 1.00 0.00 H new ATOM 0 HA LYS A 218 -9.840 -2.135 -1.092 1.00 0.00 H new ATOM 0 HB2 LYS A 218 -9.010 -3.996 -3.353 1.00 0.00 H new ATOM 0 HB3 LYS A 218 -10.583 -4.127 -2.592 1.00 0.00 H new ATOM 0 HG2 LYS A 218 -9.660 -1.391 -3.533 1.00 0.00 H new ATOM 0 HG3 LYS A 218 -10.222 -2.539 -4.733 1.00 0.00 H new ATOM 0 HD2 LYS A 218 -12.351 -2.849 -3.380 1.00 0.00 H new ATOM 0 HD3 LYS A 218 -11.793 -1.612 -2.271 1.00 0.00 H new ATOM 0 HE2 LYS A 218 -12.351 -1.252 -5.256 1.00 0.00 H new ATOM 0 HE3 LYS A 218 -13.293 -0.588 -3.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 -11.967 1.188 -4.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 -10.769 0.265 -3.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 -10.813 0.352 -5.064 1.00 0.00 H new ATOM 763 N GLU A 219 -7.975 -4.793 -0.578 1.00 0.00 N ATOM 764 CA GLU A 219 -7.801 -5.956 0.339 1.00 0.00 C ATOM 765 C GLU A 219 -7.383 -5.500 1.745 1.00 0.00 C ATOM 766 O GLU A 219 -7.928 -5.952 2.733 1.00 0.00 O ATOM 767 CB GLU A 219 -6.730 -6.882 -0.242 1.00 0.00 C ATOM 768 CG GLU A 219 -7.238 -7.484 -1.553 1.00 0.00 C ATOM 769 CD GLU A 219 -6.148 -8.365 -2.160 1.00 0.00 C ATOM 770 OE1 GLU A 219 -4.984 -8.044 -1.977 1.00 0.00 O ATOM 771 OE2 GLU A 219 -6.494 -9.345 -2.799 1.00 0.00 O ATOM 0 H GLU A 219 -7.212 -4.644 -1.239 1.00 0.00 H new ATOM 0 HA GLU A 219 -8.752 -6.481 0.427 1.00 0.00 H new ATOM 0 HB2 GLU A 219 -5.809 -6.326 -0.417 1.00 0.00 H new ATOM 0 HB3 GLU A 219 -6.494 -7.675 0.468 1.00 0.00 H new ATOM 0 HG2 GLU A 219 -8.138 -8.072 -1.372 1.00 0.00 H new ATOM 0 HG3 GLU A 219 -7.510 -6.691 -2.249 1.00 0.00 H new ATOM 778 N ILE A 220 -6.405 -4.629 1.848 1.00 0.00 N ATOM 779 CA ILE A 220 -5.929 -4.163 3.198 1.00 0.00 C ATOM 780 C ILE A 220 -6.201 -2.666 3.390 1.00 0.00 C ATOM 781 O ILE A 220 -6.108 -2.148 4.485 1.00 0.00 O ATOM 782 CB ILE A 220 -4.416 -4.413 3.295 1.00 0.00 C ATOM 783 CG1 ILE A 220 -3.679 -3.605 2.206 1.00 0.00 C ATOM 784 CG2 ILE A 220 -4.129 -5.914 3.113 1.00 0.00 C ATOM 785 CD1 ILE A 220 -2.168 -3.681 2.435 1.00 0.00 C ATOM 0 H ILE A 220 -5.913 -4.218 1.055 1.00 0.00 H new ATOM 0 HA ILE A 220 -6.465 -4.713 3.971 1.00 0.00 H new ATOM 0 HB ILE A 220 -4.062 -4.094 4.275 1.00 0.00 H new ATOM 0 HG12 ILE A 220 -3.926 -3.997 1.220 1.00 0.00 H new ATOM 0 HG13 ILE A 220 -4.007 -2.566 2.227 1.00 0.00 H new ATOM 0 HG21 ILE A 220 -3.056 -6.090 3.182 1.00 0.00 H new ATOM 0 HG22 ILE A 220 -4.640 -6.479 3.892 1.00 0.00 H new ATOM 0 HG23 ILE A 220 -4.488 -6.237 2.136 1.00 0.00 H new ATOM 0 HD11 ILE A 220 -1.654 -3.109 1.663 1.00 0.00 H new ATOM 0 HD12 ILE A 220 -1.927 -3.267 3.414 1.00 0.00 H new ATOM 0 HD13 ILE A 220 -1.845 -4.721 2.391 1.00 0.00 H new ATOM 797 N GLY A 221 -6.503 -1.961 2.334 1.00 0.00 N ATOM 798 CA GLY A 221 -6.738 -0.494 2.466 1.00 0.00 C ATOM 799 C GLY A 221 -8.164 -0.204 2.938 1.00 0.00 C ATOM 800 O GLY A 221 -8.983 -1.090 3.101 1.00 0.00 O ATOM 0 H GLY A 221 -6.597 -2.335 1.390 1.00 0.00 H new ATOM 0 HA2 GLY A 221 -6.025 -0.071 3.173 1.00 0.00 H new ATOM 0 HA3 GLY A 221 -6.563 -0.007 1.507 1.00 0.00 H new ATOM 804 N VAL A 222 -8.444 1.051 3.159 1.00 0.00 N ATOM 805 CA VAL A 222 -9.791 1.490 3.627 1.00 0.00 C ATOM 806 C VAL A 222 -10.143 2.779 2.892 1.00 0.00 C ATOM 807 O VAL A 222 -9.344 3.290 2.150 1.00 0.00 O ATOM 808 CB VAL A 222 -9.725 1.751 5.132 1.00 0.00 C ATOM 809 CG1 VAL A 222 -11.087 2.247 5.655 1.00 0.00 C ATOM 810 CG2 VAL A 222 -9.337 0.444 5.823 1.00 0.00 C ATOM 0 H VAL A 222 -7.777 1.812 3.031 1.00 0.00 H new ATOM 0 HA VAL A 222 -10.545 0.729 3.428 1.00 0.00 H new ATOM 0 HB VAL A 222 -8.986 2.524 5.344 1.00 0.00 H new ATOM 0 HG11 VAL A 222 -11.021 2.427 6.728 1.00 0.00 H new ATOM 0 HG12 VAL A 222 -11.356 3.173 5.147 1.00 0.00 H new ATOM 0 HG13 VAL A 222 -11.848 1.492 5.460 1.00 0.00 H new ATOM 0 HG21 VAL A 222 -9.283 0.604 6.900 1.00 0.00 H new ATOM 0 HG22 VAL A 222 -10.085 -0.318 5.606 1.00 0.00 H new ATOM 0 HG23 VAL A 222 -8.365 0.113 5.456 1.00 0.00 H new ATOM 820 N GLN A 223 -11.321 3.311 3.076 1.00 0.00 N ATOM 821 CA GLN A 223 -11.699 4.570 2.355 1.00 0.00 C ATOM 822 C GLN A 223 -12.505 5.473 3.286 1.00 0.00 C ATOM 823 O GLN A 223 -13.175 5.015 4.191 1.00 0.00 O ATOM 824 CB GLN A 223 -12.544 4.208 1.129 1.00 0.00 C ATOM 825 CG GLN A 223 -13.033 5.478 0.419 1.00 0.00 C ATOM 826 CD GLN A 223 -11.851 6.389 0.075 1.00 0.00 C ATOM 827 OE1 GLN A 223 -10.965 6.004 -0.661 1.00 0.00 O ATOM 828 NE2 GLN A 223 -11.802 7.591 0.583 1.00 0.00 N ATOM 0 H GLN A 223 -12.040 2.932 3.693 1.00 0.00 H new ATOM 0 HA GLN A 223 -10.799 5.097 2.039 1.00 0.00 H new ATOM 0 HB2 GLN A 223 -11.955 3.603 0.440 1.00 0.00 H new ATOM 0 HB3 GLN A 223 -13.398 3.603 1.434 1.00 0.00 H new ATOM 0 HG2 GLN A 223 -13.570 5.209 -0.491 1.00 0.00 H new ATOM 0 HG3 GLN A 223 -13.737 6.011 1.058 1.00 0.00 H new ATOM 0 HE21 GLN A 223 -12.546 7.914 1.201 1.00 0.00 H new ATOM 0 HE22 GLN A 223 -11.020 8.207 0.362 1.00 0.00 H new ATOM 837 N ASN A 224 -12.444 6.761 3.070 1.00 0.00 N ATOM 838 CA ASN A 224 -13.198 7.694 3.942 1.00 0.00 C ATOM 839 C ASN A 224 -13.598 8.924 3.134 1.00 0.00 C ATOM 840 O ASN A 224 -12.779 9.558 2.492 1.00 0.00 O ATOM 841 CB ASN A 224 -12.301 8.153 5.094 1.00 0.00 C ATOM 842 CG ASN A 224 -11.428 6.990 5.553 1.00 0.00 C ATOM 843 OD1 ASN A 224 -11.761 6.289 6.488 1.00 0.00 O ATOM 844 ND2 ASN A 224 -10.311 6.753 4.917 1.00 0.00 N ATOM 0 H ASN A 224 -11.903 7.202 2.326 1.00 0.00 H new ATOM 0 HA ASN A 224 -14.082 7.187 4.330 1.00 0.00 H new ATOM 0 HB2 ASN A 224 -11.676 8.986 4.773 1.00 0.00 H new ATOM 0 HB3 ASN A 224 -12.911 8.513 5.923 1.00 0.00 H new ATOM 0 HD21 ASN A 224 -9.715 5.977 5.205 1.00 0.00 H new ATOM 0 HD22 ASN A 224 -10.035 7.344 4.133 1.00 0.00 H new ATOM 851 N VAL A 225 -14.841 9.278 3.195 1.00 0.00 N ATOM 852 CA VAL A 225 -15.329 10.486 2.484 1.00 0.00 C ATOM 853 C VAL A 225 -15.472 11.585 3.532 1.00 0.00 C ATOM 854 O VAL A 225 -15.879 11.323 4.647 1.00 0.00 O ATOM 855 CB VAL A 225 -16.692 10.189 1.864 1.00 0.00 C ATOM 856 CG1 VAL A 225 -16.541 9.134 0.767 1.00 0.00 C ATOM 857 CG2 VAL A 225 -17.623 9.660 2.950 1.00 0.00 C ATOM 0 H VAL A 225 -15.557 8.773 3.718 1.00 0.00 H new ATOM 0 HA VAL A 225 -14.643 10.786 1.692 1.00 0.00 H new ATOM 0 HB VAL A 225 -17.104 11.100 1.430 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -17.516 8.925 0.327 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -15.867 9.505 -0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -16.133 8.219 1.196 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -18.600 9.444 2.518 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -17.205 8.748 3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -17.730 10.410 3.734 1.00 0.00 H new ATOM 867 N LYS A 226 -15.115 12.796 3.213 1.00 0.00 N ATOM 868 CA LYS A 226 -15.208 13.901 4.219 1.00 0.00 C ATOM 869 C LYS A 226 -16.028 15.055 3.639 1.00 0.00 C ATOM 870 O LYS A 226 -16.701 14.886 2.647 1.00 0.00 O ATOM 871 CB LYS A 226 -13.789 14.338 4.562 1.00 0.00 C ATOM 872 CG LYS A 226 -13.010 13.082 4.978 1.00 0.00 C ATOM 873 CD LYS A 226 -11.586 13.431 5.409 1.00 0.00 C ATOM 874 CE LYS A 226 -11.574 13.928 6.863 1.00 0.00 C ATOM 875 NZ LYS A 226 -11.947 12.805 7.766 1.00 0.00 N ATOM 0 H LYS A 226 -14.761 13.074 2.298 1.00 0.00 H new ATOM 0 HA LYS A 226 -15.711 13.568 5.127 1.00 0.00 H new ATOM 0 HB2 LYS A 226 -13.317 14.816 3.704 1.00 0.00 H new ATOM 0 HB3 LYS A 226 -13.797 15.070 5.370 1.00 0.00 H new ATOM 0 HG2 LYS A 226 -13.529 12.584 5.797 1.00 0.00 H new ATOM 0 HG3 LYS A 226 -12.979 12.378 4.146 1.00 0.00 H new ATOM 0 HD2 LYS A 226 -10.945 12.555 5.312 1.00 0.00 H new ATOM 0 HD3 LYS A 226 -11.178 14.199 4.752 1.00 0.00 H new ATOM 0 HE2 LYS A 226 -10.585 14.306 7.123 1.00 0.00 H new ATOM 0 HE3 LYS A 226 -12.274 14.755 6.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 226 -11.207 12.677 8.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 226 -12.851 13.021 8.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 226 -12.045 11.931 7.211 1.00 0.00 H new ATOM 889 N GLY A 227 -15.998 16.212 4.267 1.00 0.00 N ATOM 890 CA GLY A 227 -16.797 17.389 3.771 1.00 0.00 C ATOM 891 C GLY A 227 -16.919 17.373 2.240 1.00 0.00 C ATOM 892 O GLY A 227 -17.959 17.044 1.699 1.00 0.00 O ATOM 0 H GLY A 227 -15.451 16.394 5.108 1.00 0.00 H new ATOM 0 HA2 GLY A 227 -17.791 17.371 4.218 1.00 0.00 H new ATOM 0 HA3 GLY A 227 -16.321 18.316 4.091 1.00 0.00 H new ATOM 896 N ILE A 228 -15.869 17.708 1.539 1.00 0.00 N ATOM 897 CA ILE A 228 -15.931 17.696 0.048 1.00 0.00 C ATOM 898 C ILE A 228 -15.729 16.258 -0.452 1.00 0.00 C ATOM 899 O ILE A 228 -15.255 16.032 -1.547 1.00 0.00 O ATOM 900 CB ILE A 228 -14.842 18.620 -0.529 1.00 0.00 C ATOM 901 CG1 ILE A 228 -13.449 18.106 -0.151 1.00 0.00 C ATOM 902 CG2 ILE A 228 -15.015 20.040 0.025 1.00 0.00 C ATOM 903 CD1 ILE A 228 -12.389 18.948 -0.862 1.00 0.00 C ATOM 0 H ILE A 228 -14.972 17.989 1.934 1.00 0.00 H new ATOM 0 HA ILE A 228 -16.904 18.059 -0.283 1.00 0.00 H new ATOM 0 HB ILE A 228 -14.941 18.631 -1.614 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -13.309 18.161 0.929 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -13.347 17.058 -0.433 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -14.242 20.688 -0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -15.996 20.423 -0.255 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -14.930 20.020 1.111 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -11.397 18.585 -0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -12.526 18.870 -1.941 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -12.488 19.990 -0.558 1.00 0.00 H new ATOM 915 N HIS A 229 -16.065 15.291 0.362 1.00 0.00 N ATOM 916 CA HIS A 229 -15.880 13.864 -0.033 1.00 0.00 C ATOM 917 C HIS A 229 -14.407 13.627 -0.349 1.00 0.00 C ATOM 918 O HIS A 229 -14.058 13.114 -1.396 1.00 0.00 O ATOM 919 CB HIS A 229 -16.734 13.512 -1.260 1.00 0.00 C ATOM 920 CG HIS A 229 -18.188 13.750 -0.951 1.00 0.00 C ATOM 921 ND1 HIS A 229 -19.201 13.412 -1.837 1.00 0.00 N ATOM 922 CD2 HIS A 229 -18.818 14.291 0.144 1.00 0.00 C ATOM 923 CE1 HIS A 229 -20.372 13.751 -1.266 1.00 0.00 C ATOM 924 NE2 HIS A 229 -20.194 14.290 -0.058 1.00 0.00 N ATOM 0 H HIS A 229 -16.463 15.431 1.291 1.00 0.00 H new ATOM 0 HA HIS A 229 -16.198 13.227 0.793 1.00 0.00 H new ATOM 0 HB2 HIS A 229 -16.430 14.118 -2.113 1.00 0.00 H new ATOM 0 HB3 HIS A 229 -16.577 12.470 -1.538 1.00 0.00 H new ATOM 0 HD2 HIS A 229 -18.320 14.661 1.028 1.00 0.00 H new ATOM 0 HE1 HIS A 229 -21.337 13.605 -1.729 1.00 0.00 H new ATOM 0 HE2 HIS A 229 -20.914 14.629 0.581 1.00 0.00 H new ATOM 932 N LYS A 230 -13.534 14.001 0.544 1.00 0.00 N ATOM 933 CA LYS A 230 -12.089 13.798 0.278 1.00 0.00 C ATOM 934 C LYS A 230 -11.783 12.306 0.271 1.00 0.00 C ATOM 935 O LYS A 230 -12.016 11.602 1.233 1.00 0.00 O ATOM 936 CB LYS A 230 -11.260 14.469 1.370 1.00 0.00 C ATOM 937 CG LYS A 230 -11.551 15.963 1.379 1.00 0.00 C ATOM 938 CD LYS A 230 -10.725 16.629 2.473 1.00 0.00 C ATOM 939 CE LYS A 230 -11.214 18.059 2.680 1.00 0.00 C ATOM 940 NZ LYS A 230 -10.362 18.713 3.712 1.00 0.00 N ATOM 0 H LYS A 230 -13.759 14.435 1.439 1.00 0.00 H new ATOM 0 HA LYS A 230 -11.839 14.236 -0.688 1.00 0.00 H new ATOM 0 HB2 LYS A 230 -11.498 14.035 2.341 1.00 0.00 H new ATOM 0 HB3 LYS A 230 -10.198 14.295 1.195 1.00 0.00 H new ATOM 0 HG2 LYS A 230 -11.310 16.398 0.409 1.00 0.00 H new ATOM 0 HG3 LYS A 230 -12.613 16.138 1.552 1.00 0.00 H new ATOM 0 HD2 LYS A 230 -10.811 16.066 3.402 1.00 0.00 H new ATOM 0 HD3 LYS A 230 -9.670 16.630 2.197 1.00 0.00 H new ATOM 0 HE2 LYS A 230 -11.165 18.614 1.743 1.00 0.00 H new ATOM 0 HE3 LYS A 230 -12.257 18.059 2.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 230 -10.686 19.690 3.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 230 -10.431 18.184 4.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 230 -9.373 18.722 3.391 1.00 0.00 H new ATOM 954 N ASN A 231 -11.256 11.825 -0.813 1.00 0.00 N ATOM 955 CA ASN A 231 -10.920 10.383 -0.913 1.00 0.00 C ATOM 956 C ASN A 231 -9.641 10.110 -0.125 1.00 0.00 C ATOM 957 O ASN A 231 -8.588 10.571 -0.499 1.00 0.00 O ATOM 958 CB ASN A 231 -10.659 10.054 -2.385 1.00 0.00 C ATOM 959 CG ASN A 231 -11.714 10.732 -3.253 1.00 0.00 C ATOM 960 OD1 ASN A 231 -12.899 10.586 -3.024 1.00 0.00 O ATOM 961 ND2 ASN A 231 -11.323 11.483 -4.244 1.00 0.00 N ATOM 0 H ASN A 231 -11.041 12.375 -1.644 1.00 0.00 H new ATOM 0 HA ASN A 231 -11.737 9.779 -0.518 1.00 0.00 H new ATOM 0 HB2 ASN A 231 -9.664 10.392 -2.673 1.00 0.00 H new ATOM 0 HB3 ASN A 231 -10.686 8.975 -2.538 1.00 0.00 H new ATOM 0 HD21 ASN A 231 -12.012 11.952 -4.832 1.00 0.00 H new ATOM 0 HD22 ASN A 231 -10.328 11.602 -4.432 1.00 0.00 H new ATOM 968 N THR A 232 -9.709 9.362 0.949 1.00 0.00 N ATOM 969 CA THR A 232 -8.462 9.064 1.733 1.00 0.00 C ATOM 970 C THR A 232 -8.377 7.567 2.013 1.00 0.00 C ATOM 971 O THR A 232 -9.354 6.934 2.364 1.00 0.00 O ATOM 972 CB THR A 232 -8.486 9.828 3.046 1.00 0.00 C ATOM 973 OG1 THR A 232 -9.583 9.392 3.834 1.00 0.00 O ATOM 974 CG2 THR A 232 -8.606 11.318 2.748 1.00 0.00 C ATOM 0 H THR A 232 -10.565 8.946 1.317 1.00 0.00 H new ATOM 0 HA THR A 232 -7.592 9.373 1.153 1.00 0.00 H new ATOM 0 HB THR A 232 -7.566 9.644 3.601 1.00 0.00 H new ATOM 0 HG1 THR A 232 -9.594 9.886 4.681 1.00 0.00 H new ATOM 0 HG21 THR A 232 -8.624 11.876 3.684 1.00 0.00 H new ATOM 0 HG22 THR A 232 -7.753 11.639 2.150 1.00 0.00 H new ATOM 0 HG23 THR A 232 -9.527 11.506 2.196 1.00 0.00 H new ATOM 982 N TRP A 233 -7.208 6.995 1.837 1.00 0.00 N ATOM 983 CA TRP A 233 -7.024 5.528 2.058 1.00 0.00 C ATOM 984 C TRP A 233 -6.120 5.258 3.255 1.00 0.00 C ATOM 985 O TRP A 233 -5.190 5.990 3.526 1.00 0.00 O ATOM 986 CB TRP A 233 -6.402 4.919 0.800 1.00 0.00 C ATOM 987 CG TRP A 233 -7.438 4.885 -0.271 1.00 0.00 C ATOM 988 CD1 TRP A 233 -7.740 5.908 -1.104 1.00 0.00 C ATOM 989 CD2 TRP A 233 -8.334 3.795 -0.621 1.00 0.00 C ATOM 990 NE1 TRP A 233 -8.766 5.512 -1.941 1.00 0.00 N ATOM 991 CE2 TRP A 233 -9.165 4.218 -1.682 1.00 0.00 C ATOM 992 CE3 TRP A 233 -8.504 2.491 -0.124 1.00 0.00 C ATOM 993 CZ2 TRP A 233 -10.131 3.378 -2.228 1.00 0.00 C ATOM 994 CZ3 TRP A 233 -9.478 1.644 -0.670 1.00 0.00 C ATOM 995 CH2 TRP A 233 -10.290 2.086 -1.720 1.00 0.00 C ATOM 0 H TRP A 233 -6.365 7.490 1.546 1.00 0.00 H new ATOM 0 HA TRP A 233 -7.995 5.078 2.263 1.00 0.00 H new ATOM 0 HB2 TRP A 233 -5.544 5.509 0.478 1.00 0.00 H new ATOM 0 HB3 TRP A 233 -6.038 3.913 1.007 1.00 0.00 H new ATOM 0 HD1 TRP A 233 -7.258 6.875 -1.113 1.00 0.00 H new ATOM 0 HE1 TRP A 233 -9.178 6.105 -2.662 1.00 0.00 H new ATOM 0 HE3 TRP A 233 -7.880 2.139 0.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 233 -10.754 3.723 -3.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 233 -9.602 0.645 -0.278 1.00 0.00 H new ATOM 0 HH2 TRP A 233 -11.039 1.429 -2.138 1.00 0.00 H new ATOM 1006 N GLU A 234 -6.396 4.189 3.971 1.00 0.00 N ATOM 1007 CA GLU A 234 -5.563 3.826 5.164 1.00 0.00 C ATOM 1008 C GLU A 234 -5.304 2.321 5.164 1.00 0.00 C ATOM 1009 O GLU A 234 -6.179 1.536 4.863 1.00 0.00 O ATOM 1010 CB GLU A 234 -6.314 4.165 6.451 1.00 0.00 C ATOM 1011 CG GLU A 234 -6.472 5.672 6.577 1.00 0.00 C ATOM 1012 CD GLU A 234 -7.116 5.994 7.928 1.00 0.00 C ATOM 1013 OE1 GLU A 234 -8.225 5.547 8.156 1.00 0.00 O ATOM 1014 OE2 GLU A 234 -6.494 6.688 8.708 1.00 0.00 O ATOM 0 H GLU A 234 -7.167 3.550 3.778 1.00 0.00 H new ATOM 0 HA GLU A 234 -4.627 4.382 5.114 1.00 0.00 H new ATOM 0 HB2 GLU A 234 -7.294 3.687 6.447 1.00 0.00 H new ATOM 0 HB3 GLU A 234 -5.772 3.774 7.312 1.00 0.00 H new ATOM 0 HG2 GLU A 234 -5.501 6.160 6.497 1.00 0.00 H new ATOM 0 HG3 GLU A 234 -7.090 6.055 5.765 1.00 0.00 H new ATOM 1021 N LEU A 235 -4.118 1.904 5.520 1.00 0.00 N ATOM 1022 CA LEU A 235 -3.841 0.440 5.558 1.00 0.00 C ATOM 1023 C LEU A 235 -4.554 -0.161 6.774 1.00 0.00 C ATOM 1024 O LEU A 235 -4.240 0.154 7.905 1.00 0.00 O ATOM 1025 CB LEU A 235 -2.329 0.190 5.665 1.00 0.00 C ATOM 1026 CG LEU A 235 -1.615 0.710 4.406 1.00 0.00 C ATOM 1027 CD1 LEU A 235 -0.095 0.617 4.603 1.00 0.00 C ATOM 1028 CD2 LEU A 235 -2.024 -0.124 3.172 1.00 0.00 C ATOM 0 H LEU A 235 -3.338 2.506 5.783 1.00 0.00 H new ATOM 0 HA LEU A 235 -4.205 -0.027 4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -1.932 0.689 6.549 1.00 0.00 H new ATOM 0 HB3 LEU A 235 -2.137 -0.876 5.787 1.00 0.00 H new ATOM 0 HG LEU A 235 -1.904 1.748 4.242 1.00 0.00 H new ATOM 0 HD11 LEU A 235 0.411 0.986 3.711 1.00 0.00 H new ATOM 0 HD12 LEU A 235 0.198 1.221 5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 235 0.187 -0.422 4.777 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -1.510 0.257 2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -1.749 -1.167 3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -3.101 -0.051 3.024 1.00 0.00 H new ATOM 1040 N LYS A 236 -5.517 -1.019 6.559 1.00 0.00 N ATOM 1041 CA LYS A 236 -6.235 -1.621 7.714 1.00 0.00 C ATOM 1042 C LYS A 236 -5.247 -2.491 8.511 1.00 0.00 C ATOM 1043 O LYS A 236 -4.748 -3.472 7.995 1.00 0.00 O ATOM 1044 CB LYS A 236 -7.381 -2.492 7.201 1.00 0.00 C ATOM 1045 CG LYS A 236 -8.198 -2.995 8.395 1.00 0.00 C ATOM 1046 CD LYS A 236 -9.389 -3.840 7.908 1.00 0.00 C ATOM 1047 CE LYS A 236 -10.574 -2.926 7.565 1.00 0.00 C ATOM 1048 NZ LYS A 236 -11.128 -2.350 8.822 1.00 0.00 N ATOM 0 H LYS A 236 -5.834 -1.325 5.639 1.00 0.00 H new ATOM 0 HA LYS A 236 -6.638 -0.835 8.353 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -8.016 -1.919 6.525 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -6.988 -3.335 6.632 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -7.565 -3.591 9.053 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -8.558 -2.149 8.980 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -9.100 -4.420 7.031 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -9.680 -4.553 8.680 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -10.251 -2.128 6.896 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -11.344 -3.491 7.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -12.131 -2.113 8.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -11.040 -3.045 9.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -10.600 -1.489 9.071 1.00 0.00 H new ATOM 1062 N PRO A 237 -4.950 -2.164 9.753 1.00 0.00 N ATOM 1063 CA PRO A 237 -4.001 -2.966 10.570 1.00 0.00 C ATOM 1064 C PRO A 237 -4.713 -4.076 11.350 1.00 0.00 C ATOM 1065 O PRO A 237 -4.132 -4.736 12.189 1.00 0.00 O ATOM 1066 CB PRO A 237 -3.437 -1.923 11.522 1.00 0.00 C ATOM 1067 CG PRO A 237 -4.595 -1.018 11.809 1.00 0.00 C ATOM 1068 CD PRO A 237 -5.458 -1.009 10.534 1.00 0.00 C ATOM 0 HA PRO A 237 -3.250 -3.480 9.969 1.00 0.00 H new ATOM 0 HB2 PRO A 237 -3.056 -2.382 12.434 1.00 0.00 H new ATOM 0 HB3 PRO A 237 -2.609 -1.378 11.069 1.00 0.00 H new ATOM 0 HG2 PRO A 237 -5.167 -1.377 12.664 1.00 0.00 H new ATOM 0 HG3 PRO A 237 -4.252 -0.013 12.054 1.00 0.00 H new ATOM 0 HD2 PRO A 237 -6.517 -1.119 10.767 1.00 0.00 H new ATOM 0 HD3 PRO A 237 -5.348 -0.075 9.983 1.00 0.00 H new ATOM 1076 N GLU A 238 -5.977 -4.246 11.104 1.00 0.00 N ATOM 1077 CA GLU A 238 -6.769 -5.268 11.853 1.00 0.00 C ATOM 1078 C GLU A 238 -6.125 -6.654 11.763 1.00 0.00 C ATOM 1079 O GLU A 238 -6.068 -7.372 12.742 1.00 0.00 O ATOM 1080 CB GLU A 238 -8.187 -5.353 11.266 1.00 0.00 C ATOM 1081 CG GLU A 238 -8.968 -4.072 11.579 1.00 0.00 C ATOM 1082 CD GLU A 238 -9.193 -3.949 13.090 1.00 0.00 C ATOM 1083 OE1 GLU A 238 -9.001 -4.934 13.782 1.00 0.00 O ATOM 1084 OE2 GLU A 238 -9.557 -2.870 13.527 1.00 0.00 O ATOM 0 H GLU A 238 -6.506 -3.718 10.410 1.00 0.00 H new ATOM 0 HA GLU A 238 -6.800 -4.961 12.898 1.00 0.00 H new ATOM 0 HB2 GLU A 238 -8.134 -5.500 10.187 1.00 0.00 H new ATOM 0 HB3 GLU A 238 -8.709 -6.216 11.680 1.00 0.00 H new ATOM 0 HG2 GLU A 238 -8.420 -3.204 11.213 1.00 0.00 H new ATOM 0 HG3 GLU A 238 -9.927 -4.085 11.060 1.00 0.00 H new ATOM 1091 N TYR A 239 -5.678 -7.060 10.601 1.00 0.00 N ATOM 1092 CA TYR A 239 -5.084 -8.431 10.466 1.00 0.00 C ATOM 1093 C TYR A 239 -3.739 -8.400 9.720 1.00 0.00 C ATOM 1094 O TYR A 239 -3.262 -9.424 9.274 1.00 0.00 O ATOM 1095 CB TYR A 239 -6.077 -9.300 9.701 1.00 0.00 C ATOM 1096 CG TYR A 239 -6.213 -8.755 8.311 1.00 0.00 C ATOM 1097 CD1 TYR A 239 -7.104 -7.710 8.054 1.00 0.00 C ATOM 1098 CD2 TYR A 239 -5.427 -9.279 7.283 1.00 0.00 C ATOM 1099 CE1 TYR A 239 -7.216 -7.189 6.766 1.00 0.00 C ATOM 1100 CE2 TYR A 239 -5.533 -8.758 5.991 1.00 0.00 C ATOM 1101 CZ TYR A 239 -6.432 -7.710 5.731 1.00 0.00 C ATOM 1102 OH TYR A 239 -6.544 -7.188 4.458 1.00 0.00 O ATOM 0 H TYR A 239 -5.697 -6.508 9.744 1.00 0.00 H new ATOM 0 HA TYR A 239 -4.893 -8.835 11.460 1.00 0.00 H new ATOM 0 HB2 TYR A 239 -5.731 -10.333 9.671 1.00 0.00 H new ATOM 0 HB3 TYR A 239 -7.044 -9.302 10.203 1.00 0.00 H new ATOM 0 HD1 TYR A 239 -7.706 -7.306 8.854 1.00 0.00 H new ATOM 0 HD2 TYR A 239 -4.738 -10.086 7.486 1.00 0.00 H new ATOM 0 HE1 TYR A 239 -7.908 -6.384 6.567 1.00 0.00 H new ATOM 0 HE2 TYR A 239 -4.925 -9.160 5.194 1.00 0.00 H new ATOM 0 HH TYR A 239 -7.419 -6.758 4.357 1.00 0.00 H new ATOM 1112 N ARG A 240 -3.103 -7.266 9.581 1.00 0.00 N ATOM 1113 CA ARG A 240 -1.786 -7.268 8.865 1.00 0.00 C ATOM 1114 C ARG A 240 -0.701 -7.881 9.764 1.00 0.00 C ATOM 1115 O ARG A 240 -0.192 -7.247 10.666 1.00 0.00 O ATOM 1116 CB ARG A 240 -1.376 -5.831 8.470 1.00 0.00 C ATOM 1117 CG ARG A 240 -2.071 -5.394 7.154 1.00 0.00 C ATOM 1118 CD ARG A 240 -1.147 -5.638 5.938 1.00 0.00 C ATOM 1119 NE ARG A 240 -0.924 -7.099 5.724 1.00 0.00 N ATOM 1120 CZ ARG A 240 -0.457 -7.526 4.580 1.00 0.00 C ATOM 1121 NH1 ARG A 240 -0.234 -6.682 3.608 1.00 0.00 N ATOM 1122 NH2 ARG A 240 -0.221 -8.796 4.403 1.00 0.00 N ATOM 0 H ARG A 240 -3.424 -6.360 9.921 1.00 0.00 H new ATOM 0 HA ARG A 240 -1.890 -7.865 7.959 1.00 0.00 H new ATOM 0 HB2 ARG A 240 -1.640 -5.141 9.271 1.00 0.00 H new ATOM 0 HB3 ARG A 240 -0.294 -5.779 8.348 1.00 0.00 H new ATOM 0 HG2 ARG A 240 -3.001 -5.948 7.027 1.00 0.00 H new ATOM 0 HG3 ARG A 240 -2.335 -4.338 7.210 1.00 0.00 H new ATOM 0 HD2 ARG A 240 -1.591 -5.199 5.045 1.00 0.00 H new ATOM 0 HD3 ARG A 240 -0.191 -5.139 6.097 1.00 0.00 H new ATOM 0 HE ARG A 240 -1.136 -7.763 6.469 1.00 0.00 H new ATOM 0 HH11 ARG A 240 -0.424 -5.689 3.741 1.00 0.00 H new ATOM 0 HH12 ARG A 240 0.130 -7.016 2.716 1.00 0.00 H new ATOM 0 HH21 ARG A 240 -0.401 -9.458 5.158 1.00 0.00 H new ATOM 0 HH22 ARG A 240 0.143 -9.127 3.510 1.00 0.00 H new ATOM 1136 N HIS A 241 -0.331 -9.111 9.500 1.00 0.00 N ATOM 1137 CA HIS A 241 0.737 -9.773 10.306 1.00 0.00 C ATOM 1138 C HIS A 241 2.082 -9.155 9.915 1.00 0.00 C ATOM 1139 O HIS A 241 3.048 -9.201 10.650 1.00 0.00 O ATOM 1140 CB HIS A 241 0.735 -11.269 9.992 1.00 0.00 C ATOM 1141 CG HIS A 241 -0.610 -11.830 10.342 1.00 0.00 C ATOM 1142 ND1 HIS A 241 -0.903 -12.334 11.598 1.00 0.00 N ATOM 1143 CD2 HIS A 241 -1.758 -11.963 9.604 1.00 0.00 C ATOM 1144 CE1 HIS A 241 -2.183 -12.748 11.578 1.00 0.00 C ATOM 1145 NE2 HIS A 241 -2.752 -12.547 10.385 1.00 0.00 N ATOM 0 H HIS A 241 -0.727 -9.686 8.756 1.00 0.00 H new ATOM 0 HA HIS A 241 0.564 -9.633 11.373 1.00 0.00 H new ATOM 0 HB2 HIS A 241 0.951 -11.434 8.936 1.00 0.00 H new ATOM 0 HB3 HIS A 241 1.515 -11.776 10.560 1.00 0.00 H new ATOM 0 HD2 HIS A 241 -1.874 -11.661 8.574 1.00 0.00 H new ATOM 0 HE1 HIS A 241 -2.690 -13.189 12.424 1.00 0.00 H new ATOM 0 HE2 HIS A 241 -3.707 -12.773 10.107 1.00 0.00 H new ATOM 1153 N TYR A 242 2.126 -8.561 8.749 1.00 0.00 N ATOM 1154 CA TYR A 242 3.369 -7.897 8.253 1.00 0.00 C ATOM 1155 C TYR A 242 3.244 -6.385 8.481 1.00 0.00 C ATOM 1156 O TYR A 242 2.243 -5.784 8.146 1.00 0.00 O ATOM 1157 CB TYR A 242 3.512 -8.179 6.755 1.00 0.00 C ATOM 1158 CG TYR A 242 4.609 -7.317 6.174 1.00 0.00 C ATOM 1159 CD1 TYR A 242 5.957 -7.644 6.372 1.00 0.00 C ATOM 1160 CD2 TYR A 242 4.266 -6.183 5.432 1.00 0.00 C ATOM 1161 CE1 TYR A 242 6.960 -6.830 5.824 1.00 0.00 C ATOM 1162 CE2 TYR A 242 5.259 -5.372 4.888 1.00 0.00 C ATOM 1163 CZ TYR A 242 6.609 -5.693 5.080 1.00 0.00 C ATOM 1164 OH TYR A 242 7.590 -4.889 4.537 1.00 0.00 O ATOM 0 H TYR A 242 1.335 -8.508 8.107 1.00 0.00 H new ATOM 0 HA TYR A 242 4.242 -8.277 8.783 1.00 0.00 H new ATOM 0 HB2 TYR A 242 3.741 -9.232 6.594 1.00 0.00 H new ATOM 0 HB3 TYR A 242 2.570 -7.976 6.246 1.00 0.00 H new ATOM 0 HD1 TYR A 242 6.223 -8.520 6.945 1.00 0.00 H new ATOM 0 HD2 TYR A 242 3.226 -5.935 5.280 1.00 0.00 H new ATOM 0 HE1 TYR A 242 8.000 -7.078 5.975 1.00 0.00 H new ATOM 0 HE2 TYR A 242 4.988 -4.496 4.318 1.00 0.00 H new ATOM 0 HH TYR A 242 7.291 -4.550 3.667 1.00 0.00 H new ATOM 1174 N GLN A 243 4.245 -5.763 9.049 1.00 0.00 N ATOM 1175 CA GLN A 243 4.169 -4.287 9.299 1.00 0.00 C ATOM 1176 C GLN A 243 5.571 -3.678 9.239 1.00 0.00 C ATOM 1177 O GLN A 243 6.527 -4.319 8.854 1.00 0.00 O ATOM 1178 CB GLN A 243 3.578 -4.021 10.685 1.00 0.00 C ATOM 1179 CG GLN A 243 2.126 -4.501 10.744 1.00 0.00 C ATOM 1180 CD GLN A 243 1.532 -4.135 12.106 1.00 0.00 C ATOM 1181 OE1 GLN A 243 2.002 -3.224 12.761 1.00 0.00 O ATOM 1182 NE2 GLN A 243 0.514 -4.809 12.566 1.00 0.00 N ATOM 0 H GLN A 243 5.111 -6.210 9.351 1.00 0.00 H new ATOM 0 HA GLN A 243 3.535 -3.837 8.535 1.00 0.00 H new ATOM 0 HB2 GLN A 243 4.169 -4.533 11.444 1.00 0.00 H new ATOM 0 HB3 GLN A 243 3.625 -2.955 10.910 1.00 0.00 H new ATOM 0 HG2 GLN A 243 1.545 -4.041 9.945 1.00 0.00 H new ATOM 0 HG3 GLN A 243 2.080 -5.579 10.591 1.00 0.00 H new ATOM 0 HE21 GLN A 243 0.119 -5.573 12.018 1.00 0.00 H new ATOM 0 HE22 GLN A 243 0.113 -4.572 13.474 1.00 0.00 H new TER 1191 GLN A 243