USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=15 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= -1.44! C(o=-1.9!,f=-2!) USER MOD Set 1.2: A 232 THR OG1 : rot 180:sc= -0.453 USER MOD Set 2.1: A 194 HIS : no HD1:sc= -0.886 X(o=-1.3,f=-1.5) USER MOD Set 2.2: A 197 TYR OH : rot 68:sc= -0.368 USER MOD Set 3.1: A 182 HIS : no HD1:sc= -0.017 X(o=-0.017,f=-0.28) USER MOD Set 3.2: A 186 MET CE :methyl -136:sc= 0 (180deg=0) USER MOD Single : A 180 LYS NZ :NH3+ -150:sc= 0.529 (180deg=0.173) USER MOD Single : A 181 GLN : amide:sc= -0.539 X(o=-0.54,f=-0.24) USER MOD Single : A 189 SER OG : rot -41:sc= 0.471 USER MOD Single : A 193 LYS NZ :NH3+ -159:sc= -0.119 (180deg=-0.661) USER MOD Single : A 195 GLN : amide:sc= -0.0851 X(o=-0.085,f=-0.085) USER MOD Single : A 196 TYR OH : rot 180:sc= 0 USER MOD Single : A 198 ASN : amide:sc= -3.75! C(o=-3.7!,f=-13!) USER MOD Single : A 200 LYS NZ :NH3+ -162:sc= -0.0349 (180deg=-0.385) USER MOD Single : A 206 THR OG1 : rot 40:sc= 0.324 USER MOD Single : A 207 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 208 GLN : amide:sc= -2.82! C(o=-2.8!,f=-2!) USER MOD Single : A 212 TYR OH : rot 69:sc= 0.0599 USER MOD Single : A 214 LYS NZ :NH3+ 144:sc= -3.28! (180deg=-5.47!) USER MOD Single : A 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 223 GLN : amide:sc= -11! C(o=-11!,f=-1!) USER MOD Single : A 226 LYS NZ :NH3+ -121:sc= -1.09 (180deg=-3.32!) USER MOD Single : A 229 HIS : no HD1:sc= -0.833 K(o=-0.83,f=-0.29) USER MOD Single : A 230 LYS NZ :NH3+ -146:sc= -0.262 (180deg=-1.91!) USER MOD Single : A 231 ASN : amide:sc= -0.174 X(o=-0.17,f=-0.15) USER MOD Single : A 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 239 TYR OH : rot -19:sc= -2.75! USER MOD Single : A 241 HIS : no HD1:sc= -0.241 X(o=-0.24,f=0) USER MOD Single : A 242 TYR OH : rot 128:sc= 0.922 USER MOD Single : A 243 GLN : amide:sc= 0.709 K(o=0.71,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 175 0.707 -12.153 -13.142 1.00 0.00 N ATOM 2 CA ARG A 175 0.540 -11.330 -11.914 1.00 0.00 C ATOM 3 C ARG A 175 1.871 -10.965 -11.303 1.00 0.00 C ATOM 4 O ARG A 175 2.649 -11.798 -10.888 1.00 0.00 O ATOM 5 CB ARG A 175 -0.310 -12.085 -10.890 1.00 0.00 C ATOM 6 CG ARG A 175 -0.710 -11.134 -9.757 1.00 0.00 C ATOM 7 CD ARG A 175 -1.503 -11.906 -8.694 1.00 0.00 C ATOM 8 NE ARG A 175 -2.782 -12.397 -9.282 1.00 0.00 N ATOM 9 CZ ARG A 175 -3.479 -13.321 -8.675 1.00 0.00 C ATOM 10 NH1 ARG A 175 -3.070 -13.800 -7.529 1.00 0.00 N ATOM 11 NH2 ARG A 175 -4.585 -13.760 -9.220 1.00 0.00 N ATOM 0 HA ARG A 175 0.037 -10.406 -12.199 1.00 0.00 H new ATOM 0 HB2 ARG A 175 -1.201 -12.491 -11.370 1.00 0.00 H new ATOM 0 HB3 ARG A 175 0.250 -12.930 -10.489 1.00 0.00 H new ATOM 0 HG2 ARG A 175 0.179 -10.690 -9.310 1.00 0.00 H new ATOM 0 HG3 ARG A 175 -1.312 -10.315 -10.151 1.00 0.00 H new ATOM 0 HD2 ARG A 175 -0.914 -12.746 -8.326 1.00 0.00 H new ATOM 0 HD3 ARG A 175 -1.708 -11.261 -7.839 1.00 0.00 H new ATOM 0 HE ARG A 175 -3.115 -12.009 -10.164 1.00 0.00 H new ATOM 0 HH11 ARG A 175 -2.208 -13.452 -7.110 1.00 0.00 H new ATOM 0 HH12 ARG A 175 -3.613 -14.521 -7.055 1.00 0.00 H new ATOM 0 HH21 ARG A 175 -4.899 -13.381 -10.114 1.00 0.00 H new ATOM 0 HH22 ARG A 175 -5.133 -14.481 -8.751 1.00 0.00 H new ATOM 25 N ALA A 176 2.100 -9.691 -11.220 1.00 0.00 N ATOM 26 CA ALA A 176 3.340 -9.179 -10.613 1.00 0.00 C ATOM 27 C ALA A 176 3.120 -9.072 -9.111 1.00 0.00 C ATOM 28 O ALA A 176 3.154 -7.994 -8.557 1.00 0.00 O ATOM 29 CB ALA A 176 3.655 -7.782 -11.172 1.00 0.00 C ATOM 0 H ALA A 176 1.462 -8.970 -11.557 1.00 0.00 H new ATOM 0 HA ALA A 176 4.170 -9.849 -10.837 1.00 0.00 H new ATOM 0 HB1 ALA A 176 4.573 -7.408 -10.720 1.00 0.00 H new ATOM 0 HB2 ALA A 176 3.781 -7.843 -12.253 1.00 0.00 H new ATOM 0 HB3 ALA A 176 2.834 -7.104 -10.940 1.00 0.00 H new ATOM 35 N ARG A 177 2.952 -10.175 -8.421 1.00 0.00 N ATOM 36 CA ARG A 177 2.803 -10.069 -6.946 1.00 0.00 C ATOM 37 C ARG A 177 4.145 -9.541 -6.464 1.00 0.00 C ATOM 38 O ARG A 177 4.345 -9.184 -5.324 1.00 0.00 O ATOM 39 CB ARG A 177 2.521 -11.441 -6.350 1.00 0.00 C ATOM 40 CG ARG A 177 2.384 -11.334 -4.829 1.00 0.00 C ATOM 41 CD ARG A 177 1.750 -12.616 -4.291 1.00 0.00 C ATOM 42 NE ARG A 177 2.678 -13.756 -4.537 1.00 0.00 N ATOM 43 CZ ARG A 177 2.490 -14.890 -3.932 1.00 0.00 C ATOM 44 NH1 ARG A 177 1.471 -15.040 -3.131 1.00 0.00 N ATOM 45 NH2 ARG A 177 3.309 -15.878 -4.147 1.00 0.00 N ATOM 0 H ARG A 177 2.913 -11.118 -8.808 1.00 0.00 H new ATOM 0 HA ARG A 177 1.977 -9.421 -6.652 1.00 0.00 H new ATOM 0 HB2 ARG A 177 1.606 -11.851 -6.778 1.00 0.00 H new ATOM 0 HB3 ARG A 177 3.328 -12.129 -6.603 1.00 0.00 H new ATOM 0 HG2 ARG A 177 3.362 -11.179 -4.374 1.00 0.00 H new ATOM 0 HG3 ARG A 177 1.770 -10.472 -4.567 1.00 0.00 H new ATOM 0 HD2 ARG A 177 1.549 -12.518 -3.224 1.00 0.00 H new ATOM 0 HD3 ARG A 177 0.793 -12.797 -4.780 1.00 0.00 H new ATOM 0 HE ARG A 177 3.461 -13.646 -5.181 1.00 0.00 H new ATOM 0 HH11 ARG A 177 0.823 -14.267 -2.980 1.00 0.00 H new ATOM 0 HH12 ARG A 177 1.323 -15.930 -2.656 1.00 0.00 H new ATOM 0 HH21 ARG A 177 4.094 -15.760 -4.788 1.00 0.00 H new ATOM 0 HH22 ARG A 177 3.166 -16.771 -3.675 1.00 0.00 H new ATOM 59 N ALA A 178 5.046 -9.459 -7.399 1.00 0.00 N ATOM 60 CA ALA A 178 6.391 -8.921 -7.172 1.00 0.00 C ATOM 61 C ALA A 178 6.236 -7.464 -6.755 1.00 0.00 C ATOM 62 O ALA A 178 6.650 -7.046 -5.686 1.00 0.00 O ATOM 63 CB ALA A 178 7.108 -8.991 -8.527 1.00 0.00 C ATOM 0 H ALA A 178 4.883 -9.763 -8.359 1.00 0.00 H new ATOM 0 HA ALA A 178 6.944 -9.466 -6.407 1.00 0.00 H new ATOM 0 HB1 ALA A 178 8.121 -8.602 -8.423 1.00 0.00 H new ATOM 0 HB2 ALA A 178 7.150 -10.027 -8.863 1.00 0.00 H new ATOM 0 HB3 ALA A 178 6.563 -8.394 -9.258 1.00 0.00 H new ATOM 69 N ASP A 179 5.620 -6.693 -7.611 1.00 0.00 N ATOM 70 CA ASP A 179 5.394 -5.265 -7.310 1.00 0.00 C ATOM 71 C ASP A 179 4.445 -5.147 -6.123 1.00 0.00 C ATOM 72 O ASP A 179 4.581 -4.284 -5.291 1.00 0.00 O ATOM 73 CB ASP A 179 4.768 -4.607 -8.525 1.00 0.00 C ATOM 74 CG ASP A 179 5.756 -4.631 -9.689 1.00 0.00 C ATOM 75 OD1 ASP A 179 6.942 -4.773 -9.430 1.00 0.00 O ATOM 76 OD2 ASP A 179 5.312 -4.507 -10.819 1.00 0.00 O ATOM 0 H ASP A 179 5.263 -7.003 -8.515 1.00 0.00 H new ATOM 0 HA ASP A 179 6.338 -4.777 -7.068 1.00 0.00 H new ATOM 0 HB2 ASP A 179 3.852 -5.129 -8.802 1.00 0.00 H new ATOM 0 HB3 ASP A 179 4.491 -3.579 -8.292 1.00 0.00 H new ATOM 81 N LYS A 180 3.467 -6.002 -6.053 1.00 0.00 N ATOM 82 CA LYS A 180 2.498 -5.931 -4.921 1.00 0.00 C ATOM 83 C LYS A 180 3.243 -5.858 -3.594 1.00 0.00 C ATOM 84 O LYS A 180 3.083 -4.916 -2.854 1.00 0.00 O ATOM 85 CB LYS A 180 1.605 -7.175 -4.917 1.00 0.00 C ATOM 86 CG LYS A 180 0.612 -7.090 -3.753 1.00 0.00 C ATOM 87 CD LYS A 180 -0.494 -8.129 -3.949 1.00 0.00 C ATOM 88 CE LYS A 180 -1.453 -8.092 -2.753 1.00 0.00 C ATOM 89 NZ LYS A 180 -2.638 -8.948 -3.042 1.00 0.00 N ATOM 0 H LYS A 180 3.294 -6.747 -6.728 1.00 0.00 H new ATOM 0 HA LYS A 180 1.887 -5.037 -5.047 1.00 0.00 H new ATOM 0 HB2 LYS A 180 1.067 -7.252 -5.862 1.00 0.00 H new ATOM 0 HB3 LYS A 180 2.215 -8.073 -4.823 1.00 0.00 H new ATOM 0 HG2 LYS A 180 1.127 -7.265 -2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 180 0.181 -6.090 -3.701 1.00 0.00 H new ATOM 0 HD2 LYS A 180 -1.039 -7.926 -4.871 1.00 0.00 H new ATOM 0 HD3 LYS A 180 -0.059 -9.123 -4.049 1.00 0.00 H new ATOM 0 HE2 LYS A 180 -0.946 -8.445 -1.855 1.00 0.00 H new ATOM 0 HE3 LYS A 180 -1.770 -7.067 -2.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 -3.470 -8.569 -2.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 -2.819 -8.956 -4.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 -2.453 -9.918 -2.716 1.00 0.00 H new ATOM 103 N GLN A 181 4.040 -6.847 -3.269 1.00 0.00 N ATOM 104 CA GLN A 181 4.770 -6.816 -1.964 1.00 0.00 C ATOM 105 C GLN A 181 5.700 -5.607 -1.903 1.00 0.00 C ATOM 106 O GLN A 181 5.760 -4.908 -0.908 1.00 0.00 O ATOM 107 CB GLN A 181 5.574 -8.114 -1.803 1.00 0.00 C ATOM 108 CG GLN A 181 6.137 -8.189 -0.388 1.00 0.00 C ATOM 109 CD GLN A 181 4.993 -8.348 0.614 1.00 0.00 C ATOM 110 OE1 GLN A 181 4.361 -9.386 0.685 1.00 0.00 O ATOM 111 NE2 GLN A 181 4.689 -7.346 1.385 1.00 0.00 N ATOM 0 H GLN A 181 4.216 -7.669 -3.847 1.00 0.00 H new ATOM 0 HA GLN A 181 4.049 -6.733 -1.151 1.00 0.00 H new ATOM 0 HB2 GLN A 181 4.937 -8.976 -1.999 1.00 0.00 H new ATOM 0 HB3 GLN A 181 6.385 -8.145 -2.531 1.00 0.00 H new ATOM 0 HG2 GLN A 181 6.826 -9.030 -0.304 1.00 0.00 H new ATOM 0 HG3 GLN A 181 6.706 -7.287 -0.164 1.00 0.00 H new ATOM 0 HE21 GLN A 181 5.219 -6.477 1.325 1.00 0.00 H new ATOM 0 HE22 GLN A 181 3.920 -7.429 2.050 1.00 0.00 H new ATOM 120 N HIS A 182 6.417 -5.351 -2.960 1.00 0.00 N ATOM 121 CA HIS A 182 7.337 -4.192 -2.980 1.00 0.00 C ATOM 122 C HIS A 182 6.520 -2.901 -2.952 1.00 0.00 C ATOM 123 O HIS A 182 6.936 -1.904 -2.409 1.00 0.00 O ATOM 124 CB HIS A 182 8.180 -4.280 -4.249 1.00 0.00 C ATOM 125 CG HIS A 182 9.143 -3.135 -4.339 1.00 0.00 C ATOM 126 ND1 HIS A 182 9.744 -2.557 -3.232 1.00 0.00 N ATOM 127 CD2 HIS A 182 9.636 -2.471 -5.427 1.00 0.00 C ATOM 128 CE1 HIS A 182 10.563 -1.588 -3.681 1.00 0.00 C ATOM 129 NE2 HIS A 182 10.533 -1.491 -5.015 1.00 0.00 N ATOM 0 H HIS A 182 6.402 -5.903 -3.817 1.00 0.00 H new ATOM 0 HA HIS A 182 7.994 -4.196 -2.110 1.00 0.00 H new ATOM 0 HB2 HIS A 182 8.728 -5.222 -4.260 1.00 0.00 H new ATOM 0 HB3 HIS A 182 7.528 -4.280 -5.123 1.00 0.00 H new ATOM 0 HD2 HIS A 182 9.369 -2.676 -6.453 1.00 0.00 H new ATOM 0 HE1 HIS A 182 11.171 -0.964 -3.042 1.00 0.00 H new ATOM 0 HE2 HIS A 182 11.054 -0.840 -5.602 1.00 0.00 H new ATOM 137 N VAL A 183 5.350 -2.916 -3.530 1.00 0.00 N ATOM 138 CA VAL A 183 4.509 -1.693 -3.534 1.00 0.00 C ATOM 139 C VAL A 183 4.038 -1.411 -2.110 1.00 0.00 C ATOM 140 O VAL A 183 3.941 -0.277 -1.695 1.00 0.00 O ATOM 141 CB VAL A 183 3.306 -1.915 -4.465 1.00 0.00 C ATOM 142 CG1 VAL A 183 2.247 -0.830 -4.214 1.00 0.00 C ATOM 143 CG2 VAL A 183 3.767 -1.876 -5.945 1.00 0.00 C ATOM 0 H VAL A 183 4.943 -3.725 -3.999 1.00 0.00 H new ATOM 0 HA VAL A 183 5.081 -0.838 -3.894 1.00 0.00 H new ATOM 0 HB VAL A 183 2.870 -2.892 -4.258 1.00 0.00 H new ATOM 0 HG11 VAL A 183 1.396 -0.992 -4.876 1.00 0.00 H new ATOM 0 HG12 VAL A 183 1.914 -0.879 -3.177 1.00 0.00 H new ATOM 0 HG13 VAL A 183 2.678 0.152 -4.410 1.00 0.00 H new ATOM 0 HG21 VAL A 183 2.909 -2.034 -6.598 1.00 0.00 H new ATOM 0 HG22 VAL A 183 4.214 -0.906 -6.162 1.00 0.00 H new ATOM 0 HG23 VAL A 183 4.503 -2.661 -6.118 1.00 0.00 H new ATOM 153 N LEU A 184 3.759 -2.429 -1.350 1.00 0.00 N ATOM 154 CA LEU A 184 3.306 -2.187 0.043 1.00 0.00 C ATOM 155 C LEU A 184 4.394 -1.412 0.759 1.00 0.00 C ATOM 156 O LEU A 184 4.129 -0.471 1.477 1.00 0.00 O ATOM 157 CB LEU A 184 3.046 -3.520 0.758 1.00 0.00 C ATOM 158 CG LEU A 184 1.836 -4.220 0.125 1.00 0.00 C ATOM 159 CD1 LEU A 184 1.680 -5.606 0.751 1.00 0.00 C ATOM 160 CD2 LEU A 184 0.551 -3.392 0.339 1.00 0.00 C ATOM 0 H LEU A 184 3.824 -3.408 -1.629 1.00 0.00 H new ATOM 0 HA LEU A 184 2.375 -1.620 0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 184 3.926 -4.159 0.687 1.00 0.00 H new ATOM 0 HB3 LEU A 184 2.863 -3.345 1.818 1.00 0.00 H new ATOM 0 HG LEU A 184 1.999 -4.316 -0.948 1.00 0.00 H new ATOM 0 HD11 LEU A 184 0.822 -6.111 0.307 1.00 0.00 H new ATOM 0 HD12 LEU A 184 2.581 -6.192 0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 184 1.526 -5.505 1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -0.294 -3.907 -0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 184 0.369 -3.272 1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 184 0.670 -2.411 -0.121 1.00 0.00 H new ATOM 172 N ASP A 185 5.623 -1.780 0.547 1.00 0.00 N ATOM 173 CA ASP A 185 6.728 -1.034 1.208 1.00 0.00 C ATOM 174 C ASP A 185 6.579 0.452 0.881 1.00 0.00 C ATOM 175 O ASP A 185 6.760 1.307 1.728 1.00 0.00 O ATOM 176 CB ASP A 185 8.073 -1.539 0.673 1.00 0.00 C ATOM 177 CG ASP A 185 8.330 -2.958 1.168 1.00 0.00 C ATOM 178 OD1 ASP A 185 7.778 -3.312 2.195 1.00 0.00 O ATOM 179 OD2 ASP A 185 9.081 -3.665 0.508 1.00 0.00 O ATOM 0 H ASP A 185 5.910 -2.557 -0.049 1.00 0.00 H new ATOM 0 HA ASP A 185 6.688 -1.185 2.287 1.00 0.00 H new ATOM 0 HB2 ASP A 185 8.071 -1.520 -0.417 1.00 0.00 H new ATOM 0 HB3 ASP A 185 8.876 -0.879 1.002 1.00 0.00 H new ATOM 184 N MET A 186 6.231 0.760 -0.348 1.00 0.00 N ATOM 185 CA MET A 186 6.060 2.185 -0.741 1.00 0.00 C ATOM 186 C MET A 186 4.897 2.778 0.059 1.00 0.00 C ATOM 187 O MET A 186 4.929 3.927 0.455 1.00 0.00 O ATOM 188 CB MET A 186 5.742 2.291 -2.242 1.00 0.00 C ATOM 189 CG MET A 186 6.892 1.726 -3.075 1.00 0.00 C ATOM 190 SD MET A 186 8.389 2.691 -2.769 1.00 0.00 S ATOM 191 CE MET A 186 9.477 1.745 -3.853 1.00 0.00 C ATOM 0 H MET A 186 6.060 0.082 -1.091 1.00 0.00 H new ATOM 0 HA MET A 186 6.982 2.728 -0.536 1.00 0.00 H new ATOM 0 HB2 MET A 186 4.823 1.748 -2.464 1.00 0.00 H new ATOM 0 HB3 MET A 186 5.569 3.333 -2.510 1.00 0.00 H new ATOM 0 HG2 MET A 186 7.062 0.680 -2.818 1.00 0.00 H new ATOM 0 HG3 MET A 186 6.637 1.757 -4.134 1.00 0.00 H new ATOM 0 HE1 MET A 186 10.427 1.566 -3.349 1.00 0.00 H new ATOM 0 HE2 MET A 186 9.009 0.791 -4.095 1.00 0.00 H new ATOM 0 HE3 MET A 186 9.653 2.306 -4.771 1.00 0.00 H new ATOM 201 N LEU A 187 3.868 1.998 0.297 1.00 0.00 N ATOM 202 CA LEU A 187 2.702 2.514 1.070 1.00 0.00 C ATOM 203 C LEU A 187 3.140 2.815 2.497 1.00 0.00 C ATOM 204 O LEU A 187 2.869 3.871 3.028 1.00 0.00 O ATOM 205 CB LEU A 187 1.592 1.461 1.110 1.00 0.00 C ATOM 206 CG LEU A 187 1.139 1.098 -0.311 1.00 0.00 C ATOM 207 CD1 LEU A 187 -0.046 0.135 -0.221 1.00 0.00 C ATOM 208 CD2 LEU A 187 0.723 2.365 -1.096 1.00 0.00 C ATOM 0 H LEU A 187 3.789 1.029 -0.012 1.00 0.00 H new ATOM 0 HA LEU A 187 2.330 3.418 0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 187 1.949 0.568 1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 187 0.745 1.840 1.682 1.00 0.00 H new ATOM 0 HG LEU A 187 1.968 0.627 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 187 -0.377 -0.130 -1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 187 0.258 -0.767 0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 187 -0.865 0.615 0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 187 0.406 2.083 -2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 187 -0.101 2.858 -0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 187 1.571 3.047 -1.161 1.00 0.00 H new ATOM 220 N PHE A 188 3.821 1.909 3.130 1.00 0.00 N ATOM 221 CA PHE A 188 4.256 2.192 4.524 1.00 0.00 C ATOM 222 C PHE A 188 5.102 3.465 4.529 1.00 0.00 C ATOM 223 O PHE A 188 4.968 4.298 5.399 1.00 0.00 O ATOM 224 CB PHE A 188 5.070 1.021 5.086 1.00 0.00 C ATOM 225 CG PHE A 188 4.142 -0.123 5.458 1.00 0.00 C ATOM 226 CD1 PHE A 188 3.430 -0.098 6.674 1.00 0.00 C ATOM 227 CD2 PHE A 188 3.997 -1.218 4.593 1.00 0.00 C ATOM 228 CE1 PHE A 188 2.586 -1.158 7.017 1.00 0.00 C ATOM 229 CE2 PHE A 188 3.149 -2.284 4.946 1.00 0.00 C ATOM 230 CZ PHE A 188 2.444 -2.250 6.152 1.00 0.00 C ATOM 0 H PHE A 188 4.093 1.001 2.754 1.00 0.00 H new ATOM 0 HA PHE A 188 3.377 2.327 5.154 1.00 0.00 H new ATOM 0 HB2 PHE A 188 5.798 0.685 4.347 1.00 0.00 H new ATOM 0 HB3 PHE A 188 5.632 1.345 5.962 1.00 0.00 H new ATOM 0 HD1 PHE A 188 3.537 0.743 7.343 1.00 0.00 H new ATOM 0 HD2 PHE A 188 4.536 -1.243 3.657 1.00 0.00 H new ATOM 0 HE1 PHE A 188 2.043 -1.135 7.950 1.00 0.00 H new ATOM 0 HE2 PHE A 188 3.043 -3.130 4.283 1.00 0.00 H new ATOM 0 HZ PHE A 188 1.789 -3.067 6.417 1.00 0.00 H new ATOM 240 N SER A 189 5.957 3.640 3.561 1.00 0.00 N ATOM 241 CA SER A 189 6.776 4.878 3.537 1.00 0.00 C ATOM 242 C SER A 189 5.836 6.066 3.394 1.00 0.00 C ATOM 243 O SER A 189 5.967 7.064 4.077 1.00 0.00 O ATOM 244 CB SER A 189 7.749 4.842 2.365 1.00 0.00 C ATOM 245 OG SER A 189 7.022 4.867 1.148 1.00 0.00 O ATOM 0 H SER A 189 6.122 2.987 2.795 1.00 0.00 H new ATOM 0 HA SER A 189 7.353 4.961 4.458 1.00 0.00 H new ATOM 0 HB2 SER A 189 8.426 5.695 2.414 1.00 0.00 H new ATOM 0 HB3 SER A 189 8.364 3.943 2.416 1.00 0.00 H new ATOM 0 HG SER A 189 6.232 4.292 1.227 1.00 0.00 H new ATOM 251 N ALA A 190 4.863 5.950 2.525 1.00 0.00 N ATOM 252 CA ALA A 190 3.883 7.056 2.356 1.00 0.00 C ATOM 253 C ALA A 190 3.115 7.224 3.671 1.00 0.00 C ATOM 254 O ALA A 190 3.015 8.304 4.213 1.00 0.00 O ATOM 255 CB ALA A 190 2.913 6.691 1.227 1.00 0.00 C ATOM 0 H ALA A 190 4.709 5.137 1.928 1.00 0.00 H new ATOM 0 HA ALA A 190 4.391 7.987 2.105 1.00 0.00 H new ATOM 0 HB1 ALA A 190 2.190 7.496 1.094 1.00 0.00 H new ATOM 0 HB2 ALA A 190 3.470 6.548 0.301 1.00 0.00 H new ATOM 0 HB3 ALA A 190 2.389 5.770 1.481 1.00 0.00 H new ATOM 261 N PHE A 191 2.596 6.145 4.195 1.00 0.00 N ATOM 262 CA PHE A 191 1.836 6.211 5.485 1.00 0.00 C ATOM 263 C PHE A 191 2.775 6.565 6.646 1.00 0.00 C ATOM 264 O PHE A 191 2.351 7.060 7.681 1.00 0.00 O ATOM 265 CB PHE A 191 1.157 4.860 5.730 1.00 0.00 C ATOM 266 CG PHE A 191 -0.106 4.784 4.902 1.00 0.00 C ATOM 267 CD1 PHE A 191 -1.202 5.588 5.232 1.00 0.00 C ATOM 268 CD2 PHE A 191 -0.184 3.918 3.812 1.00 0.00 C ATOM 269 CE1 PHE A 191 -2.371 5.528 4.471 1.00 0.00 C ATOM 270 CE2 PHE A 191 -1.351 3.862 3.046 1.00 0.00 C ATOM 271 CZ PHE A 191 -2.447 4.662 3.373 1.00 0.00 C ATOM 0 H PHE A 191 2.665 5.214 3.785 1.00 0.00 H new ATOM 0 HA PHE A 191 1.078 6.991 5.422 1.00 0.00 H new ATOM 0 HB2 PHE A 191 1.831 4.046 5.463 1.00 0.00 H new ATOM 0 HB3 PHE A 191 0.921 4.744 6.788 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -1.144 6.257 6.078 1.00 0.00 H new ATOM 0 HD2 PHE A 191 0.658 3.290 3.560 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -3.216 6.149 4.729 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -1.405 3.197 2.197 1.00 0.00 H new ATOM 0 HZ PHE A 191 -3.350 4.613 2.782 1.00 0.00 H new ATOM 281 N GLU A 192 4.047 6.350 6.480 1.00 0.00 N ATOM 282 CA GLU A 192 5.000 6.706 7.568 1.00 0.00 C ATOM 283 C GLU A 192 5.042 8.229 7.698 1.00 0.00 C ATOM 284 O GLU A 192 5.307 8.765 8.756 1.00 0.00 O ATOM 285 CB GLU A 192 6.402 6.203 7.216 1.00 0.00 C ATOM 286 CG GLU A 192 7.368 6.496 8.377 1.00 0.00 C ATOM 287 CD GLU A 192 8.752 5.914 8.061 1.00 0.00 C ATOM 288 OE1 GLU A 192 8.845 5.132 7.125 1.00 0.00 O ATOM 289 OE2 GLU A 192 9.698 6.265 8.759 1.00 0.00 O ATOM 0 H GLU A 192 4.468 5.946 5.644 1.00 0.00 H new ATOM 0 HA GLU A 192 4.676 6.249 8.503 1.00 0.00 H new ATOM 0 HB2 GLU A 192 6.374 5.132 7.015 1.00 0.00 H new ATOM 0 HB3 GLU A 192 6.755 6.689 6.306 1.00 0.00 H new ATOM 0 HG2 GLU A 192 7.444 7.572 8.537 1.00 0.00 H new ATOM 0 HG3 GLU A 192 6.983 6.063 9.300 1.00 0.00 H new ATOM 296 N LYS A 193 4.795 8.935 6.620 1.00 0.00 N ATOM 297 CA LYS A 193 4.838 10.435 6.682 1.00 0.00 C ATOM 298 C LYS A 193 3.476 10.998 7.122 1.00 0.00 C ATOM 299 O LYS A 193 3.404 12.034 7.758 1.00 0.00 O ATOM 300 CB LYS A 193 5.193 11.001 5.307 1.00 0.00 C ATOM 301 CG LYS A 193 6.683 10.763 4.993 1.00 0.00 C ATOM 302 CD LYS A 193 7.014 11.340 3.605 1.00 0.00 C ATOM 303 CE LYS A 193 8.521 11.254 3.326 1.00 0.00 C ATOM 304 NZ LYS A 193 9.282 11.971 4.398 1.00 0.00 N ATOM 0 H LYS A 193 4.567 8.544 5.706 1.00 0.00 H new ATOM 0 HA LYS A 193 5.596 10.727 7.409 1.00 0.00 H new ATOM 0 HB2 LYS A 193 4.575 10.530 4.543 1.00 0.00 H new ATOM 0 HB3 LYS A 193 4.976 12.069 5.280 1.00 0.00 H new ATOM 0 HG2 LYS A 193 7.306 11.235 5.753 1.00 0.00 H new ATOM 0 HG3 LYS A 193 6.905 9.696 5.017 1.00 0.00 H new ATOM 0 HD2 LYS A 193 6.466 10.793 2.838 1.00 0.00 H new ATOM 0 HD3 LYS A 193 6.688 12.379 3.550 1.00 0.00 H new ATOM 0 HE2 LYS A 193 8.832 10.210 3.284 1.00 0.00 H new ATOM 0 HE3 LYS A 193 8.745 11.693 2.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 193 10.228 12.221 4.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 193 8.772 12.837 4.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 193 9.375 11.354 5.230 1.00 0.00 H new ATOM 318 N HIS A 194 2.398 10.332 6.793 1.00 0.00 N ATOM 319 CA HIS A 194 1.049 10.838 7.211 1.00 0.00 C ATOM 320 C HIS A 194 0.083 9.660 7.395 1.00 0.00 C ATOM 321 O HIS A 194 0.193 8.636 6.759 1.00 0.00 O ATOM 322 CB HIS A 194 0.498 11.808 6.162 1.00 0.00 C ATOM 323 CG HIS A 194 1.206 13.129 6.269 1.00 0.00 C ATOM 324 ND1 HIS A 194 1.993 13.652 5.250 1.00 0.00 N ATOM 325 CD2 HIS A 194 1.241 14.049 7.278 1.00 0.00 C ATOM 326 CE1 HIS A 194 2.460 14.841 5.670 1.00 0.00 C ATOM 327 NE2 HIS A 194 2.031 15.134 6.902 1.00 0.00 N ATOM 0 H HIS A 194 2.390 9.465 6.256 1.00 0.00 H new ATOM 0 HA HIS A 194 1.150 11.367 8.158 1.00 0.00 H new ATOM 0 HB2 HIS A 194 0.632 11.393 5.163 1.00 0.00 H new ATOM 0 HB3 HIS A 194 -0.573 11.946 6.308 1.00 0.00 H new ATOM 0 HD2 HIS A 194 0.732 13.950 8.226 1.00 0.00 H new ATOM 0 HE1 HIS A 194 3.103 15.481 5.084 1.00 0.00 H new ATOM 0 HE2 HIS A 194 2.237 15.970 7.448 1.00 0.00 H new ATOM 335 N GLN A 195 -0.847 9.783 8.292 1.00 0.00 N ATOM 336 CA GLN A 195 -1.800 8.665 8.539 1.00 0.00 C ATOM 337 C GLN A 195 -2.729 8.455 7.330 1.00 0.00 C ATOM 338 O GLN A 195 -3.159 7.348 7.064 1.00 0.00 O ATOM 339 CB GLN A 195 -2.646 8.974 9.789 1.00 0.00 C ATOM 340 CG GLN A 195 -3.564 7.783 10.125 1.00 0.00 C ATOM 341 CD GLN A 195 -2.722 6.616 10.633 1.00 0.00 C ATOM 342 OE1 GLN A 195 -2.267 6.628 11.755 1.00 0.00 O ATOM 343 NE2 GLN A 195 -2.508 5.593 9.850 1.00 0.00 N ATOM 0 H GLN A 195 -0.992 10.611 8.869 1.00 0.00 H new ATOM 0 HA GLN A 195 -1.225 7.752 8.696 1.00 0.00 H new ATOM 0 HB2 GLN A 195 -1.992 9.187 10.635 1.00 0.00 H new ATOM 0 HB3 GLN A 195 -3.247 9.867 9.618 1.00 0.00 H new ATOM 0 HG2 GLN A 195 -4.293 8.075 10.881 1.00 0.00 H new ATOM 0 HG3 GLN A 195 -4.125 7.482 9.240 1.00 0.00 H new ATOM 0 HE21 GLN A 195 -2.892 5.585 8.905 1.00 0.00 H new ATOM 0 HE22 GLN A 195 -1.957 4.802 10.183 1.00 0.00 H new ATOM 352 N TYR A 196 -3.098 9.510 6.638 1.00 0.00 N ATOM 353 CA TYR A 196 -4.063 9.368 5.487 1.00 0.00 C ATOM 354 C TYR A 196 -3.425 9.691 4.128 1.00 0.00 C ATOM 355 O TYR A 196 -2.590 10.557 4.017 1.00 0.00 O ATOM 356 CB TYR A 196 -5.213 10.351 5.706 1.00 0.00 C ATOM 357 CG TYR A 196 -5.951 9.989 6.965 1.00 0.00 C ATOM 358 CD1 TYR A 196 -6.973 9.037 6.932 1.00 0.00 C ATOM 359 CD2 TYR A 196 -5.603 10.605 8.168 1.00 0.00 C ATOM 360 CE1 TYR A 196 -7.653 8.704 8.106 1.00 0.00 C ATOM 361 CE2 TYR A 196 -6.279 10.270 9.345 1.00 0.00 C ATOM 362 CZ TYR A 196 -7.302 9.317 9.315 1.00 0.00 C ATOM 363 OH TYR A 196 -7.957 8.980 10.478 1.00 0.00 O ATOM 0 H TYR A 196 -2.776 10.461 6.816 1.00 0.00 H new ATOM 0 HA TYR A 196 -4.395 8.330 5.464 1.00 0.00 H new ATOM 0 HB2 TYR A 196 -4.827 11.368 5.778 1.00 0.00 H new ATOM 0 HB3 TYR A 196 -5.893 10.327 4.854 1.00 0.00 H new ATOM 0 HD1 TYR A 196 -7.237 8.559 6.000 1.00 0.00 H new ATOM 0 HD2 TYR A 196 -4.812 11.340 8.190 1.00 0.00 H new ATOM 0 HE1 TYR A 196 -8.449 7.974 8.081 1.00 0.00 H new ATOM 0 HE2 TYR A 196 -6.011 10.747 10.276 1.00 0.00 H new ATOM 0 HH TYR A 196 -7.588 9.499 11.223 1.00 0.00 H new ATOM 373 N TYR A 197 -3.871 9.009 3.084 1.00 0.00 N ATOM 374 CA TYR A 197 -3.370 9.276 1.689 1.00 0.00 C ATOM 375 C TYR A 197 -4.497 9.034 0.679 1.00 0.00 C ATOM 376 O TYR A 197 -5.135 8.004 0.683 1.00 0.00 O ATOM 377 CB TYR A 197 -2.184 8.357 1.344 1.00 0.00 C ATOM 378 CG TYR A 197 -0.896 8.948 1.863 1.00 0.00 C ATOM 379 CD1 TYR A 197 -0.535 8.775 3.194 1.00 0.00 C ATOM 380 CD2 TYR A 197 -0.062 9.675 1.000 1.00 0.00 C ATOM 381 CE1 TYR A 197 0.659 9.323 3.670 1.00 0.00 C ATOM 382 CE2 TYR A 197 1.131 10.222 1.475 1.00 0.00 C ATOM 383 CZ TYR A 197 1.495 10.048 2.811 1.00 0.00 C ATOM 384 OH TYR A 197 2.669 10.599 3.281 1.00 0.00 O ATOM 0 H TYR A 197 -4.571 8.269 3.145 1.00 0.00 H new ATOM 0 HA TYR A 197 -3.039 10.313 1.641 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.341 7.370 1.780 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -2.121 8.222 0.264 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -1.177 8.217 3.860 1.00 0.00 H new ATOM 0 HD2 TYR A 197 -0.344 9.812 -0.034 1.00 0.00 H new ATOM 0 HE1 TYR A 197 0.938 9.187 4.704 1.00 0.00 H new ATOM 0 HE2 TYR A 197 1.772 10.780 0.809 1.00 0.00 H new ATOM 0 HH TYR A 197 3.300 9.883 3.505 1.00 0.00 H new ATOM 394 N ASN A 198 -4.729 9.968 -0.207 1.00 0.00 N ATOM 395 CA ASN A 198 -5.798 9.774 -1.235 1.00 0.00 C ATOM 396 C ASN A 198 -5.191 9.128 -2.490 1.00 0.00 C ATOM 397 O ASN A 198 -3.989 8.968 -2.592 1.00 0.00 O ATOM 398 CB ASN A 198 -6.437 11.114 -1.584 1.00 0.00 C ATOM 399 CG ASN A 198 -5.456 11.981 -2.360 1.00 0.00 C ATOM 400 OD1 ASN A 198 -4.257 11.879 -2.195 1.00 0.00 O ATOM 401 ND2 ASN A 198 -5.927 12.822 -3.226 1.00 0.00 N ATOM 0 H ASN A 198 -4.227 10.854 -0.264 1.00 0.00 H new ATOM 0 HA ASN A 198 -6.570 9.117 -0.835 1.00 0.00 H new ATOM 0 HB2 ASN A 198 -7.337 10.952 -2.177 1.00 0.00 H new ATOM 0 HB3 ASN A 198 -6.744 11.627 -0.672 1.00 0.00 H new ATOM 0 HD21 ASN A 198 -5.290 13.402 -3.773 1.00 0.00 H new ATOM 0 HD22 ASN A 198 -6.935 12.904 -3.361 1.00 0.00 H new ATOM 408 N LEU A 199 -6.017 8.740 -3.429 1.00 0.00 N ATOM 409 CA LEU A 199 -5.508 8.077 -4.676 1.00 0.00 C ATOM 410 C LEU A 199 -4.523 8.994 -5.432 1.00 0.00 C ATOM 411 O LEU A 199 -3.510 8.550 -5.933 1.00 0.00 O ATOM 412 CB LEU A 199 -6.703 7.764 -5.599 1.00 0.00 C ATOM 413 CG LEU A 199 -7.653 6.751 -4.919 1.00 0.00 C ATOM 414 CD1 LEU A 199 -8.877 6.501 -5.808 1.00 0.00 C ATOM 415 CD2 LEU A 199 -6.930 5.419 -4.670 1.00 0.00 C ATOM 0 H LEU A 199 -7.030 8.854 -3.388 1.00 0.00 H new ATOM 0 HA LEU A 199 -4.986 7.163 -4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.244 8.682 -5.830 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -6.344 7.359 -6.545 1.00 0.00 H new ATOM 0 HG LEU A 199 -7.972 7.169 -3.964 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -9.540 5.786 -5.321 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -9.409 7.439 -5.968 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -8.553 6.100 -6.768 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -7.614 4.718 -4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -6.593 5.005 -5.620 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -6.070 5.587 -4.022 1.00 0.00 H new ATOM 427 N LYS A 200 -4.824 10.258 -5.539 1.00 0.00 N ATOM 428 CA LYS A 200 -3.919 11.194 -6.291 1.00 0.00 C ATOM 429 C LYS A 200 -2.513 11.207 -5.687 1.00 0.00 C ATOM 430 O LYS A 200 -1.524 11.250 -6.395 1.00 0.00 O ATOM 431 CB LYS A 200 -4.501 12.607 -6.235 1.00 0.00 C ATOM 432 CG LYS A 200 -3.708 13.559 -7.164 1.00 0.00 C ATOM 433 CD LYS A 200 -4.285 13.500 -8.583 1.00 0.00 C ATOM 434 CE LYS A 200 -3.478 14.421 -9.501 1.00 0.00 C ATOM 435 NZ LYS A 200 -3.686 15.836 -9.078 1.00 0.00 N ATOM 0 H LYS A 200 -5.657 10.691 -5.140 1.00 0.00 H new ATOM 0 HA LYS A 200 -3.848 10.851 -7.323 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -5.549 12.587 -6.535 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -4.469 12.979 -5.211 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -3.759 14.579 -6.783 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -2.656 13.276 -7.177 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -4.253 12.477 -8.958 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -5.332 13.804 -8.574 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -2.419 14.166 -9.453 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -3.791 14.288 -10.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -3.406 16.474 -9.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -4.690 15.986 -8.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -3.107 16.036 -8.237 1.00 0.00 H new ATOM 449 N ASP A 201 -2.406 11.205 -4.392 1.00 0.00 N ATOM 450 CA ASP A 201 -1.051 11.231 -3.767 1.00 0.00 C ATOM 451 C ASP A 201 -0.336 9.903 -4.003 1.00 0.00 C ATOM 452 O ASP A 201 0.857 9.861 -4.214 1.00 0.00 O ATOM 453 CB ASP A 201 -1.179 11.474 -2.258 1.00 0.00 C ATOM 454 CG ASP A 201 -1.768 12.869 -2.028 1.00 0.00 C ATOM 455 OD1 ASP A 201 -1.543 13.723 -2.869 1.00 0.00 O ATOM 456 OD2 ASP A 201 -2.435 13.057 -1.025 1.00 0.00 O ATOM 0 H ASP A 201 -3.190 11.187 -3.739 1.00 0.00 H new ATOM 0 HA ASP A 201 -0.473 12.036 -4.220 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -1.819 10.716 -1.807 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -0.203 11.393 -1.779 1.00 0.00 H new ATOM 461 N LEU A 202 -1.052 8.818 -3.950 1.00 0.00 N ATOM 462 CA LEU A 202 -0.410 7.491 -4.140 1.00 0.00 C ATOM 463 C LEU A 202 0.169 7.347 -5.551 1.00 0.00 C ATOM 464 O LEU A 202 1.219 6.759 -5.735 1.00 0.00 O ATOM 465 CB LEU A 202 -1.454 6.403 -3.879 1.00 0.00 C ATOM 466 CG LEU A 202 -1.813 6.375 -2.380 1.00 0.00 C ATOM 467 CD1 LEU A 202 -2.962 5.379 -2.159 1.00 0.00 C ATOM 468 CD2 LEU A 202 -0.589 5.933 -1.547 1.00 0.00 C ATOM 0 H LEU A 202 -2.058 8.793 -3.783 1.00 0.00 H new ATOM 0 HA LEU A 202 0.419 7.392 -3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 202 -2.348 6.593 -4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 202 -1.066 5.432 -4.188 1.00 0.00 H new ATOM 0 HG LEU A 202 -2.115 7.374 -2.065 1.00 0.00 H new ATOM 0 HD11 LEU A 202 -3.222 5.353 -1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 202 -3.831 5.691 -2.739 1.00 0.00 H new ATOM 0 HD13 LEU A 202 -2.649 4.386 -2.480 1.00 0.00 H new ATOM 0 HD21 LEU A 202 -0.855 5.917 -0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 202 -0.278 4.936 -1.858 1.00 0.00 H new ATOM 0 HD23 LEU A 202 0.231 6.634 -1.704 1.00 0.00 H new ATOM 480 N VAL A 203 -0.488 7.868 -6.549 1.00 0.00 N ATOM 481 CA VAL A 203 0.070 7.735 -7.925 1.00 0.00 C ATOM 482 C VAL A 203 1.375 8.514 -8.026 1.00 0.00 C ATOM 483 O VAL A 203 2.314 8.088 -8.676 1.00 0.00 O ATOM 484 CB VAL A 203 -0.936 8.210 -8.977 1.00 0.00 C ATOM 485 CG1 VAL A 203 -2.056 7.177 -9.102 1.00 0.00 C ATOM 486 CG2 VAL A 203 -1.538 9.551 -8.550 1.00 0.00 C ATOM 0 H VAL A 203 -1.372 8.372 -6.476 1.00 0.00 H new ATOM 0 HA VAL A 203 0.272 6.682 -8.121 1.00 0.00 H new ATOM 0 HB VAL A 203 -0.428 8.329 -9.934 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -2.776 7.510 -9.850 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -1.635 6.218 -9.405 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -2.557 7.065 -8.140 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -2.253 9.885 -9.302 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -2.046 9.433 -7.593 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -0.744 10.291 -8.451 1.00 0.00 H new ATOM 496 N ASP A 204 1.460 9.649 -7.393 1.00 0.00 N ATOM 497 CA ASP A 204 2.727 10.417 -7.469 1.00 0.00 C ATOM 498 C ASP A 204 3.868 9.554 -6.920 1.00 0.00 C ATOM 499 O ASP A 204 4.945 9.497 -7.486 1.00 0.00 O ATOM 500 CB ASP A 204 2.608 11.697 -6.643 1.00 0.00 C ATOM 501 CG ASP A 204 3.804 12.609 -6.953 1.00 0.00 C ATOM 502 OD1 ASP A 204 4.719 12.148 -7.620 1.00 0.00 O ATOM 503 OD2 ASP A 204 3.783 13.751 -6.526 1.00 0.00 O ATOM 0 H ASP A 204 0.718 10.072 -6.835 1.00 0.00 H new ATOM 0 HA ASP A 204 2.931 10.682 -8.506 1.00 0.00 H new ATOM 0 HB2 ASP A 204 1.674 12.209 -6.876 1.00 0.00 H new ATOM 0 HB3 ASP A 204 2.584 11.457 -5.580 1.00 0.00 H new ATOM 508 N ILE A 205 3.626 8.869 -5.832 1.00 0.00 N ATOM 509 CA ILE A 205 4.674 7.982 -5.233 1.00 0.00 C ATOM 510 C ILE A 205 4.926 6.795 -6.162 1.00 0.00 C ATOM 511 O ILE A 205 5.993 6.215 -6.174 1.00 0.00 O ATOM 512 CB ILE A 205 4.171 7.445 -3.888 1.00 0.00 C ATOM 513 CG1 ILE A 205 3.783 8.626 -2.999 1.00 0.00 C ATOM 514 CG2 ILE A 205 5.270 6.618 -3.196 1.00 0.00 C ATOM 515 CD1 ILE A 205 3.283 8.127 -1.641 1.00 0.00 C ATOM 0 H ILE A 205 2.740 8.885 -5.327 1.00 0.00 H new ATOM 0 HA ILE A 205 5.593 8.552 -5.094 1.00 0.00 H new ATOM 0 HB ILE A 205 3.307 6.802 -4.057 1.00 0.00 H new ATOM 0 HG12 ILE A 205 4.642 9.282 -2.859 1.00 0.00 H new ATOM 0 HG13 ILE A 205 3.007 9.216 -3.485 1.00 0.00 H new ATOM 0 HG21 ILE A 205 4.898 6.244 -2.242 1.00 0.00 H new ATOM 0 HG22 ILE A 205 5.548 5.778 -3.832 1.00 0.00 H new ATOM 0 HG23 ILE A 205 6.144 7.246 -3.023 1.00 0.00 H new ATOM 0 HD11 ILE A 205 3.010 8.979 -1.018 1.00 0.00 H new ATOM 0 HD12 ILE A 205 2.411 7.490 -1.786 1.00 0.00 H new ATOM 0 HD13 ILE A 205 4.072 7.557 -1.150 1.00 0.00 H new ATOM 527 N THR A 206 3.928 6.412 -6.915 1.00 0.00 N ATOM 528 CA THR A 206 4.058 5.241 -7.831 1.00 0.00 C ATOM 529 C THR A 206 3.226 5.498 -9.085 1.00 0.00 C ATOM 530 O THR A 206 2.024 5.598 -9.036 1.00 0.00 O ATOM 531 CB THR A 206 3.541 3.983 -7.121 1.00 0.00 C ATOM 532 OG1 THR A 206 2.285 4.253 -6.521 1.00 0.00 O ATOM 533 CG2 THR A 206 4.535 3.539 -6.050 1.00 0.00 C ATOM 0 H THR A 206 3.016 6.868 -6.934 1.00 0.00 H new ATOM 0 HA THR A 206 5.103 5.098 -8.106 1.00 0.00 H new ATOM 0 HB THR A 206 3.428 3.185 -7.855 1.00 0.00 H new ATOM 0 HG1 THR A 206 1.748 4.809 -7.123 1.00 0.00 H new ATOM 0 HG21 THR A 206 4.158 2.645 -5.552 1.00 0.00 H new ATOM 0 HG22 THR A 206 5.496 3.318 -6.515 1.00 0.00 H new ATOM 0 HG23 THR A 206 4.661 4.336 -5.318 1.00 0.00 H new ATOM 541 N LYS A 207 3.861 5.615 -10.209 1.00 0.00 N ATOM 542 CA LYS A 207 3.105 5.877 -11.465 1.00 0.00 C ATOM 543 C LYS A 207 2.497 4.571 -11.981 1.00 0.00 C ATOM 544 O LYS A 207 2.303 4.390 -13.164 1.00 0.00 O ATOM 545 CB LYS A 207 4.050 6.484 -12.505 1.00 0.00 C ATOM 546 CG LYS A 207 4.495 7.884 -12.053 1.00 0.00 C ATOM 547 CD LYS A 207 5.410 8.500 -13.119 1.00 0.00 C ATOM 548 CE LYS A 207 6.051 9.773 -12.562 1.00 0.00 C ATOM 549 NZ LYS A 207 7.024 10.318 -13.549 1.00 0.00 N ATOM 0 H LYS A 207 4.873 5.541 -10.317 1.00 0.00 H new ATOM 0 HA LYS A 207 2.295 6.581 -11.272 1.00 0.00 H new ATOM 0 HB2 LYS A 207 4.920 5.841 -12.637 1.00 0.00 H new ATOM 0 HB3 LYS A 207 3.550 6.546 -13.471 1.00 0.00 H new ATOM 0 HG2 LYS A 207 3.624 8.520 -11.894 1.00 0.00 H new ATOM 0 HG3 LYS A 207 5.021 7.820 -11.100 1.00 0.00 H new ATOM 0 HD2 LYS A 207 6.182 7.787 -13.408 1.00 0.00 H new ATOM 0 HD3 LYS A 207 4.837 8.731 -14.017 1.00 0.00 H new ATOM 0 HE2 LYS A 207 5.282 10.515 -12.347 1.00 0.00 H new ATOM 0 HE3 LYS A 207 6.556 9.556 -11.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 7.458 11.183 -13.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 7.765 9.611 -13.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 6.530 10.541 -14.437 1.00 0.00 H new ATOM 563 N GLN A 208 2.186 3.662 -11.100 1.00 0.00 N ATOM 564 CA GLN A 208 1.576 2.375 -11.533 1.00 0.00 C ATOM 565 C GLN A 208 0.059 2.583 -11.707 1.00 0.00 C ATOM 566 O GLN A 208 -0.519 3.443 -11.068 1.00 0.00 O ATOM 567 CB GLN A 208 1.850 1.332 -10.445 1.00 0.00 C ATOM 568 CG GLN A 208 3.372 1.126 -10.340 1.00 0.00 C ATOM 569 CD GLN A 208 3.721 0.325 -9.083 1.00 0.00 C ATOM 570 OE1 GLN A 208 3.436 -0.855 -9.004 1.00 0.00 O ATOM 571 NE2 GLN A 208 4.349 0.919 -8.097 1.00 0.00 N ATOM 0 H GLN A 208 2.329 3.756 -10.094 1.00 0.00 H new ATOM 0 HA GLN A 208 1.998 2.036 -12.479 1.00 0.00 H new ATOM 0 HB2 GLN A 208 1.446 1.666 -9.489 1.00 0.00 H new ATOM 0 HB3 GLN A 208 1.356 0.391 -10.689 1.00 0.00 H new ATOM 0 HG2 GLN A 208 3.736 0.602 -11.224 1.00 0.00 H new ATOM 0 HG3 GLN A 208 3.874 2.093 -10.313 1.00 0.00 H new ATOM 0 HE21 GLN A 208 4.587 1.909 -8.166 1.00 0.00 H new ATOM 0 HE22 GLN A 208 4.600 0.392 -7.261 1.00 0.00 H new ATOM 580 N PRO A 209 -0.595 1.818 -12.562 1.00 0.00 N ATOM 581 CA PRO A 209 -2.070 1.965 -12.788 1.00 0.00 C ATOM 582 C PRO A 209 -2.862 2.029 -11.472 1.00 0.00 C ATOM 583 O PRO A 209 -2.704 1.198 -10.598 1.00 0.00 O ATOM 584 CB PRO A 209 -2.444 0.696 -13.572 1.00 0.00 C ATOM 585 CG PRO A 209 -1.191 0.273 -14.275 1.00 0.00 C ATOM 586 CD PRO A 209 -0.017 0.749 -13.408 1.00 0.00 C ATOM 0 HA PRO A 209 -2.307 2.892 -13.310 1.00 0.00 H new ATOM 0 HB2 PRO A 209 -2.802 -0.087 -12.903 1.00 0.00 H new ATOM 0 HB3 PRO A 209 -3.244 0.897 -14.284 1.00 0.00 H new ATOM 0 HG2 PRO A 209 -1.165 -0.809 -14.402 1.00 0.00 H new ATOM 0 HG3 PRO A 209 -1.139 0.712 -15.271 1.00 0.00 H new ATOM 0 HD2 PRO A 209 0.385 -0.063 -12.803 1.00 0.00 H new ATOM 0 HD3 PRO A 209 0.802 1.126 -14.020 1.00 0.00 H new ATOM 594 N VAL A 210 -3.722 3.005 -11.334 1.00 0.00 N ATOM 595 CA VAL A 210 -4.532 3.118 -10.085 1.00 0.00 C ATOM 596 C VAL A 210 -5.329 1.834 -9.879 1.00 0.00 C ATOM 597 O VAL A 210 -5.449 1.333 -8.781 1.00 0.00 O ATOM 598 CB VAL A 210 -5.490 4.307 -10.194 1.00 0.00 C ATOM 599 CG1 VAL A 210 -4.670 5.595 -10.303 1.00 0.00 C ATOM 600 CG2 VAL A 210 -6.387 4.158 -11.428 1.00 0.00 C ATOM 0 H VAL A 210 -3.898 3.728 -12.032 1.00 0.00 H new ATOM 0 HA VAL A 210 -3.866 3.273 -9.236 1.00 0.00 H new ATOM 0 HB VAL A 210 -6.124 4.343 -9.308 1.00 0.00 H new ATOM 0 HG11 VAL A 210 -5.343 6.449 -10.381 1.00 0.00 H new ATOM 0 HG12 VAL A 210 -4.046 5.705 -9.416 1.00 0.00 H new ATOM 0 HG13 VAL A 210 -4.037 5.549 -11.189 1.00 0.00 H new ATOM 0 HG21 VAL A 210 -7.063 5.011 -11.492 1.00 0.00 H new ATOM 0 HG22 VAL A 210 -5.769 4.117 -12.325 1.00 0.00 H new ATOM 0 HG23 VAL A 210 -6.969 3.240 -11.346 1.00 0.00 H new ATOM 610 N VAL A 211 -5.881 1.296 -10.928 1.00 0.00 N ATOM 611 CA VAL A 211 -6.670 0.054 -10.772 1.00 0.00 C ATOM 612 C VAL A 211 -5.810 -1.003 -10.089 1.00 0.00 C ATOM 613 O VAL A 211 -6.299 -1.832 -9.347 1.00 0.00 O ATOM 614 CB VAL A 211 -7.130 -0.455 -12.135 1.00 0.00 C ATOM 615 CG1 VAL A 211 -8.058 0.583 -12.766 1.00 0.00 C ATOM 616 CG2 VAL A 211 -5.915 -0.689 -13.041 1.00 0.00 C ATOM 0 H VAL A 211 -5.819 1.662 -11.878 1.00 0.00 H new ATOM 0 HA VAL A 211 -7.550 0.261 -10.163 1.00 0.00 H new ATOM 0 HB VAL A 211 -7.664 -1.398 -12.014 1.00 0.00 H new ATOM 0 HG11 VAL A 211 -8.392 0.228 -13.741 1.00 0.00 H new ATOM 0 HG12 VAL A 211 -8.923 0.738 -12.121 1.00 0.00 H new ATOM 0 HG13 VAL A 211 -7.522 1.524 -12.887 1.00 0.00 H new ATOM 0 HG21 VAL A 211 -6.250 -1.052 -14.012 1.00 0.00 H new ATOM 0 HG22 VAL A 211 -5.373 0.247 -13.171 1.00 0.00 H new ATOM 0 HG23 VAL A 211 -5.258 -1.429 -12.584 1.00 0.00 H new ATOM 626 N TYR A 212 -4.530 -0.981 -10.329 1.00 0.00 N ATOM 627 CA TYR A 212 -3.645 -1.988 -9.681 1.00 0.00 C ATOM 628 C TYR A 212 -3.489 -1.628 -8.195 1.00 0.00 C ATOM 629 O TYR A 212 -3.613 -2.465 -7.321 1.00 0.00 O ATOM 630 CB TYR A 212 -2.281 -1.991 -10.380 1.00 0.00 C ATOM 631 CG TYR A 212 -1.391 -3.037 -9.752 1.00 0.00 C ATOM 632 CD1 TYR A 212 -1.642 -4.399 -9.985 1.00 0.00 C ATOM 633 CD2 TYR A 212 -0.322 -2.650 -8.939 1.00 0.00 C ATOM 634 CE1 TYR A 212 -0.818 -5.372 -9.407 1.00 0.00 C ATOM 635 CE2 TYR A 212 0.501 -3.618 -8.362 1.00 0.00 C ATOM 636 CZ TYR A 212 0.256 -4.983 -8.595 1.00 0.00 C ATOM 637 OH TYR A 212 1.072 -5.940 -8.028 1.00 0.00 O ATOM 0 H TYR A 212 -4.060 -0.314 -10.941 1.00 0.00 H new ATOM 0 HA TYR A 212 -4.080 -2.984 -9.764 1.00 0.00 H new ATOM 0 HB2 TYR A 212 -2.407 -2.197 -11.443 1.00 0.00 H new ATOM 0 HB3 TYR A 212 -1.817 -1.008 -10.298 1.00 0.00 H new ATOM 0 HD1 TYR A 212 -2.471 -4.696 -10.610 1.00 0.00 H new ATOM 0 HD2 TYR A 212 -0.133 -1.602 -8.757 1.00 0.00 H new ATOM 0 HE1 TYR A 212 -1.009 -6.420 -9.586 1.00 0.00 H new ATOM 0 HE2 TYR A 212 1.328 -3.318 -7.735 1.00 0.00 H new ATOM 0 HH TYR A 212 1.601 -6.376 -8.729 1.00 0.00 H new ATOM 647 N LEU A 213 -3.239 -0.382 -7.903 1.00 0.00 N ATOM 648 CA LEU A 213 -3.097 0.045 -6.482 1.00 0.00 C ATOM 649 C LEU A 213 -4.441 -0.108 -5.760 1.00 0.00 C ATOM 650 O LEU A 213 -4.515 -0.557 -4.636 1.00 0.00 O ATOM 651 CB LEU A 213 -2.649 1.509 -6.443 1.00 0.00 C ATOM 652 CG LEU A 213 -1.250 1.649 -7.064 1.00 0.00 C ATOM 653 CD1 LEU A 213 -0.864 3.131 -7.113 1.00 0.00 C ATOM 654 CD2 LEU A 213 -0.217 0.883 -6.225 1.00 0.00 C ATOM 0 H LEU A 213 -3.126 0.363 -8.591 1.00 0.00 H new ATOM 0 HA LEU A 213 -2.355 -0.578 -5.983 1.00 0.00 H new ATOM 0 HB2 LEU A 213 -3.361 2.130 -6.987 1.00 0.00 H new ATOM 0 HB3 LEU A 213 -2.636 1.866 -5.413 1.00 0.00 H new ATOM 0 HG LEU A 213 -1.266 1.235 -8.072 1.00 0.00 H new ATOM 0 HD11 LEU A 213 0.128 3.234 -7.553 1.00 0.00 H new ATOM 0 HD12 LEU A 213 -1.588 3.676 -7.719 1.00 0.00 H new ATOM 0 HD13 LEU A 213 -0.857 3.539 -6.102 1.00 0.00 H new ATOM 0 HD21 LEU A 213 0.770 0.990 -6.676 1.00 0.00 H new ATOM 0 HD22 LEU A 213 -0.199 1.287 -5.213 1.00 0.00 H new ATOM 0 HD23 LEU A 213 -0.487 -0.172 -6.190 1.00 0.00 H new ATOM 666 N LYS A 214 -5.506 0.265 -6.397 1.00 0.00 N ATOM 667 CA LYS A 214 -6.840 0.136 -5.746 1.00 0.00 C ATOM 668 C LYS A 214 -7.102 -1.331 -5.376 1.00 0.00 C ATOM 669 O LYS A 214 -7.627 -1.635 -4.326 1.00 0.00 O ATOM 670 CB LYS A 214 -7.925 0.633 -6.703 1.00 0.00 C ATOM 671 CG LYS A 214 -7.845 2.167 -6.827 1.00 0.00 C ATOM 672 CD LYS A 214 -9.157 2.690 -7.416 1.00 0.00 C ATOM 673 CE LYS A 214 -9.315 2.195 -8.856 1.00 0.00 C ATOM 674 NZ LYS A 214 -9.797 0.787 -8.841 1.00 0.00 N ATOM 0 H LYS A 214 -5.516 0.654 -7.340 1.00 0.00 H new ATOM 0 HA LYS A 214 -6.857 0.738 -4.837 1.00 0.00 H new ATOM 0 HB2 LYS A 214 -7.798 0.172 -7.683 1.00 0.00 H new ATOM 0 HB3 LYS A 214 -8.909 0.339 -6.337 1.00 0.00 H new ATOM 0 HG2 LYS A 214 -7.667 2.615 -5.849 1.00 0.00 H new ATOM 0 HG3 LYS A 214 -7.007 2.450 -7.465 1.00 0.00 H new ATOM 0 HD2 LYS A 214 -9.998 2.351 -6.811 1.00 0.00 H new ATOM 0 HD3 LYS A 214 -9.167 3.780 -7.394 1.00 0.00 H new ATOM 0 HE2 LYS A 214 -10.020 2.827 -9.395 1.00 0.00 H new ATOM 0 HE3 LYS A 214 -8.362 2.260 -9.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 214 -10.452 0.636 -9.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 214 -8.987 0.142 -8.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 214 -10.290 0.598 -7.945 1.00 0.00 H new ATOM 688 N GLU A 215 -6.733 -2.248 -6.217 1.00 0.00 N ATOM 689 CA GLU A 215 -6.964 -3.685 -5.883 1.00 0.00 C ATOM 690 C GLU A 215 -6.191 -4.040 -4.607 1.00 0.00 C ATOM 691 O GLU A 215 -6.680 -4.751 -3.751 1.00 0.00 O ATOM 692 CB GLU A 215 -6.493 -4.562 -7.048 1.00 0.00 C ATOM 693 CG GLU A 215 -7.473 -4.423 -8.222 1.00 0.00 C ATOM 694 CD GLU A 215 -8.716 -5.279 -7.968 1.00 0.00 C ATOM 695 OE1 GLU A 215 -8.559 -6.449 -7.675 1.00 0.00 O ATOM 696 OE2 GLU A 215 -9.806 -4.742 -8.070 1.00 0.00 O ATOM 0 H GLU A 215 -6.284 -2.073 -7.116 1.00 0.00 H new ATOM 0 HA GLU A 215 -8.027 -3.859 -5.716 1.00 0.00 H new ATOM 0 HB2 GLU A 215 -5.492 -4.265 -7.359 1.00 0.00 H new ATOM 0 HB3 GLU A 215 -6.433 -5.603 -6.732 1.00 0.00 H new ATOM 0 HG2 GLU A 215 -7.759 -3.379 -8.346 1.00 0.00 H new ATOM 0 HG3 GLU A 215 -6.990 -4.733 -9.149 1.00 0.00 H new ATOM 703 N ILE A 216 -4.998 -3.537 -4.464 1.00 0.00 N ATOM 704 CA ILE A 216 -4.203 -3.836 -3.242 1.00 0.00 C ATOM 705 C ILE A 216 -4.832 -3.124 -2.051 1.00 0.00 C ATOM 706 O ILE A 216 -4.969 -3.675 -0.981 1.00 0.00 O ATOM 707 CB ILE A 216 -2.768 -3.336 -3.439 1.00 0.00 C ATOM 708 CG1 ILE A 216 -2.093 -4.164 -4.536 1.00 0.00 C ATOM 709 CG2 ILE A 216 -1.980 -3.435 -2.130 1.00 0.00 C ATOM 710 CD1 ILE A 216 -0.756 -3.527 -4.901 1.00 0.00 C ATOM 0 H ILE A 216 -4.538 -2.930 -5.143 1.00 0.00 H new ATOM 0 HA ILE A 216 -4.192 -4.911 -3.061 1.00 0.00 H new ATOM 0 HB ILE A 216 -2.789 -2.288 -3.739 1.00 0.00 H new ATOM 0 HG12 ILE A 216 -1.939 -5.187 -4.192 1.00 0.00 H new ATOM 0 HG13 ILE A 216 -2.736 -4.216 -5.415 1.00 0.00 H new ATOM 0 HG21 ILE A 216 -0.963 -3.076 -2.289 1.00 0.00 H new ATOM 0 HG22 ILE A 216 -2.465 -2.826 -1.367 1.00 0.00 H new ATOM 0 HG23 ILE A 216 -1.950 -4.474 -1.801 1.00 0.00 H new ATOM 0 HD11 ILE A 216 -0.274 -4.115 -5.682 1.00 0.00 H new ATOM 0 HD12 ILE A 216 -0.923 -2.512 -5.262 1.00 0.00 H new ATOM 0 HD13 ILE A 216 -0.114 -3.498 -4.020 1.00 0.00 H new ATOM 722 N LEU A 217 -5.212 -1.903 -2.238 1.00 0.00 N ATOM 723 CA LEU A 217 -5.843 -1.131 -1.138 1.00 0.00 C ATOM 724 C LEU A 217 -7.207 -1.742 -0.820 1.00 0.00 C ATOM 725 O LEU A 217 -7.663 -1.749 0.301 1.00 0.00 O ATOM 726 CB LEU A 217 -6.037 0.308 -1.615 1.00 0.00 C ATOM 727 CG LEU A 217 -4.672 0.977 -1.856 1.00 0.00 C ATOM 728 CD1 LEU A 217 -4.870 2.339 -2.540 1.00 0.00 C ATOM 729 CD2 LEU A 217 -3.929 1.158 -0.518 1.00 0.00 C ATOM 0 H LEU A 217 -5.113 -1.395 -3.117 1.00 0.00 H new ATOM 0 HA LEU A 217 -5.216 -1.154 -0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 217 -6.622 0.318 -2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 217 -6.601 0.872 -0.872 1.00 0.00 H new ATOM 0 HG LEU A 217 -4.074 0.339 -2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 217 -3.900 2.807 -2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 217 -5.374 2.196 -3.496 1.00 0.00 H new ATOM 0 HD13 LEU A 217 -5.477 2.982 -1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 217 -2.964 1.632 -0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 217 -4.523 1.786 0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 217 -3.773 0.184 -0.054 1.00 0.00 H new ATOM 741 N LYS A 218 -7.873 -2.233 -1.813 1.00 0.00 N ATOM 742 CA LYS A 218 -9.212 -2.829 -1.583 1.00 0.00 C ATOM 743 C LYS A 218 -9.106 -4.007 -0.597 1.00 0.00 C ATOM 744 O LYS A 218 -9.966 -4.199 0.239 1.00 0.00 O ATOM 745 CB LYS A 218 -9.771 -3.333 -2.917 1.00 0.00 C ATOM 746 CG LYS A 218 -11.253 -3.729 -2.760 1.00 0.00 C ATOM 747 CD LYS A 218 -12.164 -2.499 -2.943 1.00 0.00 C ATOM 748 CE LYS A 218 -12.417 -2.236 -4.436 1.00 0.00 C ATOM 749 NZ LYS A 218 -13.340 -1.065 -4.589 1.00 0.00 N ATOM 0 H LYS A 218 -7.550 -2.249 -2.780 1.00 0.00 H new ATOM 0 HA LYS A 218 -9.874 -2.073 -1.162 1.00 0.00 H new ATOM 0 HB2 LYS A 218 -9.673 -2.557 -3.677 1.00 0.00 H new ATOM 0 HB3 LYS A 218 -9.193 -4.191 -3.261 1.00 0.00 H new ATOM 0 HG2 LYS A 218 -11.511 -4.492 -3.494 1.00 0.00 H new ATOM 0 HG3 LYS A 218 -11.416 -4.166 -1.775 1.00 0.00 H new ATOM 0 HD2 LYS A 218 -13.112 -2.661 -2.430 1.00 0.00 H new ATOM 0 HD3 LYS A 218 -11.701 -1.624 -2.487 1.00 0.00 H new ATOM 0 HE2 LYS A 218 -11.474 -2.038 -4.946 1.00 0.00 H new ATOM 0 HE3 LYS A 218 -12.853 -3.119 -4.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 -13.511 -0.887 -5.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 -14.243 -1.271 -4.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 -12.907 -0.223 -4.158 1.00 0.00 H new ATOM 763 N GLU A 219 -8.087 -4.826 -0.701 1.00 0.00 N ATOM 764 CA GLU A 219 -7.998 -5.994 0.229 1.00 0.00 C ATOM 765 C GLU A 219 -7.551 -5.576 1.634 1.00 0.00 C ATOM 766 O GLU A 219 -8.142 -5.980 2.613 1.00 0.00 O ATOM 767 CB GLU A 219 -6.997 -7.013 -0.319 1.00 0.00 C ATOM 768 CG GLU A 219 -7.606 -7.721 -1.527 1.00 0.00 C ATOM 769 CD GLU A 219 -6.543 -8.559 -2.234 1.00 0.00 C ATOM 770 OE1 GLU A 219 -5.374 -8.363 -1.953 1.00 0.00 O ATOM 771 OE2 GLU A 219 -6.923 -9.397 -3.039 1.00 0.00 O ATOM 0 H GLU A 219 -7.327 -4.739 -1.376 1.00 0.00 H new ATOM 0 HA GLU A 219 -8.995 -6.430 0.300 1.00 0.00 H new ATOM 0 HB2 GLU A 219 -6.072 -6.513 -0.605 1.00 0.00 H new ATOM 0 HB3 GLU A 219 -6.742 -7.740 0.452 1.00 0.00 H new ATOM 0 HG2 GLU A 219 -8.430 -8.359 -1.207 1.00 0.00 H new ATOM 0 HG3 GLU A 219 -8.021 -6.987 -2.218 1.00 0.00 H new ATOM 778 N ILE A 220 -6.496 -4.804 1.742 1.00 0.00 N ATOM 779 CA ILE A 220 -5.980 -4.392 3.097 1.00 0.00 C ATOM 780 C ILE A 220 -6.233 -2.904 3.363 1.00 0.00 C ATOM 781 O ILE A 220 -6.030 -2.426 4.454 1.00 0.00 O ATOM 782 CB ILE A 220 -4.459 -4.652 3.158 1.00 0.00 C ATOM 783 CG1 ILE A 220 -3.738 -3.844 2.059 1.00 0.00 C ATOM 784 CG2 ILE A 220 -4.169 -6.149 2.946 1.00 0.00 C ATOM 785 CD1 ILE A 220 -2.224 -3.810 2.331 1.00 0.00 C ATOM 0 H ILE A 220 -5.965 -4.438 0.951 1.00 0.00 H new ATOM 0 HA ILE A 220 -6.506 -4.975 3.853 1.00 0.00 H new ATOM 0 HB ILE A 220 -4.096 -4.343 4.138 1.00 0.00 H new ATOM 0 HG12 ILE A 220 -3.930 -4.291 1.084 1.00 0.00 H new ATOM 0 HG13 ILE A 220 -4.132 -2.828 2.027 1.00 0.00 H new ATOM 0 HG21 ILE A 220 -3.094 -6.321 2.991 1.00 0.00 H new ATOM 0 HG22 ILE A 220 -4.662 -6.729 3.726 1.00 0.00 H new ATOM 0 HG23 ILE A 220 -4.546 -6.458 1.971 1.00 0.00 H new ATOM 0 HD11 ILE A 220 -1.727 -3.237 1.549 1.00 0.00 H new ATOM 0 HD12 ILE A 220 -2.038 -3.342 3.298 1.00 0.00 H new ATOM 0 HD13 ILE A 220 -1.833 -4.827 2.340 1.00 0.00 H new ATOM 797 N GLY A 221 -6.624 -2.156 2.376 1.00 0.00 N ATOM 798 CA GLY A 221 -6.833 -0.689 2.595 1.00 0.00 C ATOM 799 C GLY A 221 -8.250 -0.397 3.112 1.00 0.00 C ATOM 800 O GLY A 221 -9.068 -1.285 3.287 1.00 0.00 O ATOM 0 H GLY A 221 -6.809 -2.487 1.429 1.00 0.00 H new ATOM 0 HA2 GLY A 221 -6.099 -0.318 3.310 1.00 0.00 H new ATOM 0 HA3 GLY A 221 -6.667 -0.153 1.661 1.00 0.00 H new ATOM 804 N VAL A 222 -8.527 0.866 3.345 1.00 0.00 N ATOM 805 CA VAL A 222 -9.862 1.310 3.844 1.00 0.00 C ATOM 806 C VAL A 222 -10.238 2.567 3.064 1.00 0.00 C ATOM 807 O VAL A 222 -9.449 3.054 2.289 1.00 0.00 O ATOM 808 CB VAL A 222 -9.773 1.622 5.352 1.00 0.00 C ATOM 809 CG1 VAL A 222 -11.140 2.083 5.883 1.00 0.00 C ATOM 810 CG2 VAL A 222 -9.342 0.362 6.090 1.00 0.00 C ATOM 0 H VAL A 222 -7.861 1.626 3.205 1.00 0.00 H new ATOM 0 HA VAL A 222 -10.614 0.534 3.703 1.00 0.00 H new ATOM 0 HB VAL A 222 -9.048 2.420 5.513 1.00 0.00 H new ATOM 0 HG11 VAL A 222 -11.062 2.300 6.948 1.00 0.00 H new ATOM 0 HG12 VAL A 222 -11.452 2.982 5.352 1.00 0.00 H new ATOM 0 HG13 VAL A 222 -11.876 1.295 5.726 1.00 0.00 H new ATOM 0 HG21 VAL A 222 -9.276 0.571 7.158 1.00 0.00 H new ATOM 0 HG22 VAL A 222 -10.074 -0.428 5.919 1.00 0.00 H new ATOM 0 HG23 VAL A 222 -8.368 0.040 5.722 1.00 0.00 H new ATOM 820 N GLN A 223 -11.434 3.086 3.233 1.00 0.00 N ATOM 821 CA GLN A 223 -11.848 4.313 2.460 1.00 0.00 C ATOM 822 C GLN A 223 -12.641 5.267 3.366 1.00 0.00 C ATOM 823 O GLN A 223 -13.275 4.855 4.318 1.00 0.00 O ATOM 824 CB GLN A 223 -12.723 3.879 1.268 1.00 0.00 C ATOM 825 CG GLN A 223 -13.226 5.112 0.485 1.00 0.00 C ATOM 826 CD GLN A 223 -12.048 5.958 0.013 1.00 0.00 C ATOM 827 OE1 GLN A 223 -11.299 5.553 -0.855 1.00 0.00 O ATOM 828 NE2 GLN A 223 -11.859 7.134 0.543 1.00 0.00 N ATOM 0 H GLN A 223 -12.141 2.718 3.869 1.00 0.00 H new ATOM 0 HA GLN A 223 -10.960 4.833 2.099 1.00 0.00 H new ATOM 0 HB2 GLN A 223 -12.149 3.230 0.606 1.00 0.00 H new ATOM 0 HB3 GLN A 223 -13.573 3.298 1.626 1.00 0.00 H new ATOM 0 HG2 GLN A 223 -13.817 4.790 -0.372 1.00 0.00 H new ATOM 0 HG3 GLN A 223 -13.881 5.710 1.118 1.00 0.00 H new ATOM 0 HE21 GLN A 223 -12.488 7.472 1.271 1.00 0.00 H new ATOM 0 HE22 GLN A 223 -11.082 7.716 0.230 1.00 0.00 H new ATOM 837 N ASN A 224 -12.593 6.549 3.089 1.00 0.00 N ATOM 838 CA ASN A 224 -13.334 7.519 3.946 1.00 0.00 C ATOM 839 C ASN A 224 -13.691 8.745 3.110 1.00 0.00 C ATOM 840 O ASN A 224 -12.832 9.407 2.555 1.00 0.00 O ATOM 841 CB ASN A 224 -12.449 7.960 5.122 1.00 0.00 C ATOM 842 CG ASN A 224 -11.611 6.767 5.604 1.00 0.00 C ATOM 843 OD1 ASN A 224 -12.007 6.040 6.498 1.00 0.00 O ATOM 844 ND2 ASN A 224 -10.461 6.535 5.030 1.00 0.00 N ATOM 0 H ASN A 224 -12.076 6.960 2.312 1.00 0.00 H new ATOM 0 HA ASN A 224 -14.237 7.045 4.330 1.00 0.00 H new ATOM 0 HB2 ASN A 224 -11.796 8.777 4.814 1.00 0.00 H new ATOM 0 HB3 ASN A 224 -13.068 8.337 5.936 1.00 0.00 H new ATOM 0 HD21 ASN A 224 -9.892 5.743 5.330 1.00 0.00 H new ATOM 0 HD22 ASN A 224 -10.132 7.145 4.282 1.00 0.00 H new ATOM 851 N VAL A 225 -14.948 9.063 3.044 1.00 0.00 N ATOM 852 CA VAL A 225 -15.386 10.263 2.281 1.00 0.00 C ATOM 853 C VAL A 225 -15.561 11.390 3.289 1.00 0.00 C ATOM 854 O VAL A 225 -16.049 11.167 4.376 1.00 0.00 O ATOM 855 CB VAL A 225 -16.728 9.985 1.604 1.00 0.00 C ATOM 856 CG1 VAL A 225 -16.547 8.904 0.539 1.00 0.00 C ATOM 857 CG2 VAL A 225 -17.734 9.501 2.658 1.00 0.00 C ATOM 0 H VAL A 225 -15.701 8.539 3.490 1.00 0.00 H new ATOM 0 HA VAL A 225 -14.655 10.522 1.515 1.00 0.00 H new ATOM 0 HB VAL A 225 -17.098 10.897 1.135 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -17.504 8.705 0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -15.828 9.244 -0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -16.180 7.990 1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -18.693 9.301 2.181 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -17.363 8.588 3.123 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -17.861 10.270 3.420 1.00 0.00 H new ATOM 867 N LYS A 226 -15.152 12.584 2.966 1.00 0.00 N ATOM 868 CA LYS A 226 -15.282 13.712 3.941 1.00 0.00 C ATOM 869 C LYS A 226 -16.047 14.880 3.309 1.00 0.00 C ATOM 870 O LYS A 226 -16.706 14.726 2.305 1.00 0.00 O ATOM 871 CB LYS A 226 -13.878 14.137 4.374 1.00 0.00 C ATOM 872 CG LYS A 226 -13.118 12.873 4.794 1.00 0.00 C ATOM 873 CD LYS A 226 -11.739 13.216 5.385 1.00 0.00 C ATOM 874 CE LYS A 226 -11.883 13.959 6.717 1.00 0.00 C ATOM 875 NZ LYS A 226 -11.980 15.414 6.454 1.00 0.00 N ATOM 0 H LYS A 226 -14.733 12.832 2.070 1.00 0.00 H new ATOM 0 HA LYS A 226 -15.848 13.391 4.815 1.00 0.00 H new ATOM 0 HB2 LYS A 226 -13.361 14.640 3.557 1.00 0.00 H new ATOM 0 HB3 LYS A 226 -13.931 14.845 5.201 1.00 0.00 H new ATOM 0 HG2 LYS A 226 -13.704 12.322 5.530 1.00 0.00 H new ATOM 0 HG3 LYS A 226 -12.993 12.218 3.931 1.00 0.00 H new ATOM 0 HD2 LYS A 226 -11.166 12.301 5.535 1.00 0.00 H new ATOM 0 HD3 LYS A 226 -11.180 13.831 4.680 1.00 0.00 H new ATOM 0 HE2 LYS A 226 -12.771 13.613 7.246 1.00 0.00 H new ATOM 0 HE3 LYS A 226 -11.027 13.749 7.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 226 -11.205 15.907 6.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 226 -11.911 15.587 5.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 226 -12.892 15.770 6.804 1.00 0.00 H new ATOM 889 N GLY A 227 -15.980 16.034 3.925 1.00 0.00 N ATOM 890 CA GLY A 227 -16.709 17.254 3.428 1.00 0.00 C ATOM 891 C GLY A 227 -16.875 17.246 1.909 1.00 0.00 C ATOM 892 O GLY A 227 -17.896 16.835 1.396 1.00 0.00 O ATOM 0 H GLY A 227 -15.437 16.190 4.774 1.00 0.00 H new ATOM 0 HA2 GLY A 227 -17.691 17.306 3.899 1.00 0.00 H new ATOM 0 HA3 GLY A 227 -16.164 18.149 3.728 1.00 0.00 H new ATOM 896 N ILE A 228 -15.892 17.700 1.182 1.00 0.00 N ATOM 897 CA ILE A 228 -16.027 17.715 -0.304 1.00 0.00 C ATOM 898 C ILE A 228 -15.830 16.299 -0.822 1.00 0.00 C ATOM 899 O ILE A 228 -15.519 16.093 -1.976 1.00 0.00 O ATOM 900 CB ILE A 228 -15.002 18.679 -0.931 1.00 0.00 C ATOM 901 CG1 ILE A 228 -13.561 18.205 -0.665 1.00 0.00 C ATOM 902 CG2 ILE A 228 -15.199 20.052 -0.312 1.00 0.00 C ATOM 903 CD1 ILE A 228 -12.570 19.083 -1.445 1.00 0.00 C ATOM 0 H ILE A 228 -15.009 18.058 1.546 1.00 0.00 H new ATOM 0 HA ILE A 228 -17.020 18.069 -0.582 1.00 0.00 H new ATOM 0 HB ILE A 228 -15.156 18.711 -2.010 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -13.343 18.255 0.402 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -13.451 17.163 -0.964 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -14.482 20.751 -0.742 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -16.212 20.400 -0.514 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -15.044 19.991 0.765 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -11.553 18.742 -1.252 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -12.781 19.010 -2.512 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -12.672 20.120 -1.125 1.00 0.00 H new ATOM 915 N HIS A 229 -15.996 15.331 0.051 1.00 0.00 N ATOM 916 CA HIS A 229 -15.821 13.898 -0.325 1.00 0.00 C ATOM 917 C HIS A 229 -14.349 13.623 -0.600 1.00 0.00 C ATOM 918 O HIS A 229 -13.989 13.134 -1.655 1.00 0.00 O ATOM 919 CB HIS A 229 -16.643 13.551 -1.572 1.00 0.00 C ATOM 920 CG HIS A 229 -18.057 14.047 -1.415 1.00 0.00 C ATOM 921 ND1 HIS A 229 -18.930 14.138 -2.487 1.00 0.00 N ATOM 922 CD2 HIS A 229 -18.767 14.473 -0.323 1.00 0.00 C ATOM 923 CE1 HIS A 229 -20.100 14.604 -2.020 1.00 0.00 C ATOM 924 NE2 HIS A 229 -20.055 14.825 -0.707 1.00 0.00 N ATOM 0 H HIS A 229 -16.251 15.482 1.027 1.00 0.00 H new ATOM 0 HA HIS A 229 -16.171 13.280 0.502 1.00 0.00 H new ATOM 0 HB2 HIS A 229 -16.187 14.001 -2.454 1.00 0.00 H new ATOM 0 HB3 HIS A 229 -16.643 12.472 -1.728 1.00 0.00 H new ATOM 0 HD2 HIS A 229 -18.383 14.527 0.685 1.00 0.00 H new ATOM 0 HE1 HIS A 229 -20.971 14.778 -2.634 1.00 0.00 H new ATOM 0 HE2 HIS A 229 -20.805 15.177 -0.112 1.00 0.00 H new ATOM 932 N LYS A 230 -13.483 13.930 0.338 1.00 0.00 N ATOM 933 CA LYS A 230 -12.037 13.673 0.103 1.00 0.00 C ATOM 934 C LYS A 230 -11.765 12.183 0.247 1.00 0.00 C ATOM 935 O LYS A 230 -12.011 11.580 1.272 1.00 0.00 O ATOM 936 CB LYS A 230 -11.183 14.473 1.104 1.00 0.00 C ATOM 937 CG LYS A 230 -11.271 15.963 0.771 1.00 0.00 C ATOM 938 CD LYS A 230 -10.379 16.771 1.734 1.00 0.00 C ATOM 939 CE LYS A 230 -11.162 17.131 3.006 1.00 0.00 C ATOM 940 NZ LYS A 230 -12.189 18.167 2.692 1.00 0.00 N ATOM 0 H LYS A 230 -13.716 14.341 1.242 1.00 0.00 H new ATOM 0 HA LYS A 230 -11.770 13.993 -0.904 1.00 0.00 H new ATOM 0 HB2 LYS A 230 -11.533 14.295 2.121 1.00 0.00 H new ATOM 0 HB3 LYS A 230 -10.146 14.140 1.061 1.00 0.00 H new ATOM 0 HG2 LYS A 230 -10.957 16.133 -0.259 1.00 0.00 H new ATOM 0 HG3 LYS A 230 -12.304 16.301 0.849 1.00 0.00 H new ATOM 0 HD2 LYS A 230 -9.494 16.191 1.995 1.00 0.00 H new ATOM 0 HD3 LYS A 230 -10.031 17.680 1.243 1.00 0.00 H new ATOM 0 HE2 LYS A 230 -11.643 16.241 3.412 1.00 0.00 H new ATOM 0 HE3 LYS A 230 -10.480 17.502 3.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 230 -12.303 18.802 3.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 230 -11.884 18.718 1.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 230 -13.097 17.704 2.484 1.00 0.00 H new ATOM 954 N ASN A 231 -11.269 11.587 -0.798 1.00 0.00 N ATOM 955 CA ASN A 231 -10.982 10.133 -0.771 1.00 0.00 C ATOM 956 C ASN A 231 -9.708 9.873 0.029 1.00 0.00 C ATOM 957 O ASN A 231 -8.643 10.297 -0.365 1.00 0.00 O ATOM 958 CB ASN A 231 -10.759 9.662 -2.217 1.00 0.00 C ATOM 959 CG ASN A 231 -11.777 10.347 -3.125 1.00 0.00 C ATOM 960 OD1 ASN A 231 -12.962 10.097 -3.027 1.00 0.00 O ATOM 961 ND2 ASN A 231 -11.364 11.223 -4.005 1.00 0.00 N ATOM 0 H ASN A 231 -11.049 12.052 -1.678 1.00 0.00 H new ATOM 0 HA ASN A 231 -11.814 9.600 -0.311 1.00 0.00 H new ATOM 0 HB2 ASN A 231 -9.746 9.902 -2.539 1.00 0.00 H new ATOM 0 HB3 ASN A 231 -10.866 8.579 -2.281 1.00 0.00 H new ATOM 0 HD21 ASN A 231 -12.037 11.696 -4.608 1.00 0.00 H new ATOM 0 HD22 ASN A 231 -10.369 11.433 -4.087 1.00 0.00 H new ATOM 968 N THR A 232 -9.790 9.154 1.123 1.00 0.00 N ATOM 969 CA THR A 232 -8.548 8.844 1.907 1.00 0.00 C ATOM 970 C THR A 232 -8.476 7.345 2.129 1.00 0.00 C ATOM 971 O THR A 232 -9.469 6.701 2.423 1.00 0.00 O ATOM 972 CB THR A 232 -8.550 9.555 3.258 1.00 0.00 C ATOM 973 OG1 THR A 232 -9.709 9.194 3.981 1.00 0.00 O ATOM 974 CG2 THR A 232 -8.513 11.064 3.043 1.00 0.00 C ATOM 0 H THR A 232 -10.654 8.770 1.506 1.00 0.00 H new ATOM 0 HA THR A 232 -7.683 9.194 1.343 1.00 0.00 H new ATOM 0 HB THR A 232 -7.670 9.258 3.828 1.00 0.00 H new ATOM 0 HG1 THR A 232 -9.708 9.650 4.849 1.00 0.00 H new ATOM 0 HG21 THR A 232 -8.515 11.569 4.009 1.00 0.00 H new ATOM 0 HG22 THR A 232 -7.610 11.331 2.495 1.00 0.00 H new ATOM 0 HG23 THR A 232 -9.389 11.372 2.471 1.00 0.00 H new ATOM 982 N TRP A 233 -7.302 6.784 1.965 1.00 0.00 N ATOM 983 CA TRP A 233 -7.118 5.312 2.138 1.00 0.00 C ATOM 984 C TRP A 233 -6.198 5.035 3.323 1.00 0.00 C ATOM 985 O TRP A 233 -5.266 5.776 3.587 1.00 0.00 O ATOM 986 CB TRP A 233 -6.504 4.733 0.860 1.00 0.00 C ATOM 987 CG TRP A 233 -7.568 4.650 -0.193 1.00 0.00 C ATOM 988 CD1 TRP A 233 -7.907 5.645 -1.040 1.00 0.00 C ATOM 989 CD2 TRP A 233 -8.443 3.528 -0.512 1.00 0.00 C ATOM 990 NE1 TRP A 233 -8.937 5.208 -1.855 1.00 0.00 N ATOM 991 CE2 TRP A 233 -9.301 3.905 -1.570 1.00 0.00 C ATOM 992 CE3 TRP A 233 -8.565 2.228 0.005 1.00 0.00 C ATOM 993 CZ2 TRP A 233 -10.263 3.021 -2.082 1.00 0.00 C ATOM 994 CZ3 TRP A 233 -9.520 1.345 -0.506 1.00 0.00 C ATOM 995 CH2 TRP A 233 -10.360 1.733 -1.546 1.00 0.00 C ATOM 0 H TRP A 233 -6.454 7.292 1.715 1.00 0.00 H new ATOM 0 HA TRP A 233 -8.084 4.845 2.328 1.00 0.00 H new ATOM 0 HB2 TRP A 233 -5.682 5.362 0.518 1.00 0.00 H new ATOM 0 HB3 TRP A 233 -6.088 3.744 1.055 1.00 0.00 H new ATOM 0 HD1 TRP A 233 -7.449 6.623 -1.076 1.00 0.00 H new ATOM 0 HE1 TRP A 233 -9.375 5.778 -2.579 1.00 0.00 H new ATOM 0 HE3 TRP A 233 -7.914 1.908 0.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 233 -10.921 3.332 -2.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 233 -9.607 0.352 -0.090 1.00 0.00 H new ATOM 0 HH2 TRP A 233 -11.088 1.038 -1.939 1.00 0.00 H new ATOM 1006 N GLU A 234 -6.454 3.963 4.039 1.00 0.00 N ATOM 1007 CA GLU A 234 -5.596 3.607 5.213 1.00 0.00 C ATOM 1008 C GLU A 234 -5.328 2.100 5.230 1.00 0.00 C ATOM 1009 O GLU A 234 -6.233 1.305 5.115 1.00 0.00 O ATOM 1010 CB GLU A 234 -6.315 3.970 6.511 1.00 0.00 C ATOM 1011 CG GLU A 234 -6.483 5.481 6.609 1.00 0.00 C ATOM 1012 CD GLU A 234 -7.021 5.817 7.995 1.00 0.00 C ATOM 1013 OE1 GLU A 234 -8.077 5.314 8.341 1.00 0.00 O ATOM 1014 OE2 GLU A 234 -6.354 6.552 8.699 1.00 0.00 O ATOM 0 H GLU A 234 -7.224 3.318 3.858 1.00 0.00 H new ATOM 0 HA GLU A 234 -4.658 4.156 5.130 1.00 0.00 H new ATOM 0 HB2 GLU A 234 -7.290 3.485 6.544 1.00 0.00 H new ATOM 0 HB3 GLU A 234 -5.747 3.603 7.366 1.00 0.00 H new ATOM 0 HG2 GLU A 234 -5.529 5.980 6.441 1.00 0.00 H new ATOM 0 HG3 GLU A 234 -7.168 5.837 5.840 1.00 0.00 H new ATOM 1021 N LEU A 235 -4.095 1.696 5.400 1.00 0.00 N ATOM 1022 CA LEU A 235 -3.799 0.231 5.456 1.00 0.00 C ATOM 1023 C LEU A 235 -4.512 -0.357 6.679 1.00 0.00 C ATOM 1024 O LEU A 235 -4.362 0.136 7.779 1.00 0.00 O ATOM 1025 CB LEU A 235 -2.285 0.015 5.600 1.00 0.00 C ATOM 1026 CG LEU A 235 -1.544 0.665 4.424 1.00 0.00 C ATOM 1027 CD1 LEU A 235 -0.037 0.565 4.660 1.00 0.00 C ATOM 1028 CD2 LEU A 235 -1.890 -0.048 3.110 1.00 0.00 C ATOM 0 H LEU A 235 -3.287 2.310 5.502 1.00 0.00 H new ATOM 0 HA LEU A 235 -4.144 -0.255 4.543 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -1.937 0.443 6.540 1.00 0.00 H new ATOM 0 HB3 LEU A 235 -2.064 -1.052 5.634 1.00 0.00 H new ATOM 0 HG LEU A 235 -1.848 1.709 4.353 1.00 0.00 H new ATOM 0 HD11 LEU A 235 0.493 1.026 3.826 1.00 0.00 H new ATOM 0 HD12 LEU A 235 0.222 1.081 5.584 1.00 0.00 H new ATOM 0 HD13 LEU A 235 0.250 -0.484 4.738 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -1.356 0.426 2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -1.597 -1.096 3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -2.963 0.018 2.932 1.00 0.00 H new ATOM 1040 N LYS A 236 -5.279 -1.408 6.495 1.00 0.00 N ATOM 1041 CA LYS A 236 -6.006 -2.038 7.636 1.00 0.00 C ATOM 1042 C LYS A 236 -4.984 -2.583 8.650 1.00 0.00 C ATOM 1043 O LYS A 236 -4.266 -3.517 8.347 1.00 0.00 O ATOM 1044 CB LYS A 236 -6.864 -3.205 7.116 1.00 0.00 C ATOM 1045 CG LYS A 236 -8.174 -2.681 6.516 1.00 0.00 C ATOM 1046 CD LYS A 236 -9.052 -3.868 6.118 1.00 0.00 C ATOM 1047 CE LYS A 236 -10.420 -3.361 5.668 1.00 0.00 C ATOM 1048 NZ LYS A 236 -11.336 -4.517 5.420 1.00 0.00 N ATOM 0 H LYS A 236 -5.431 -1.857 5.592 1.00 0.00 H new ATOM 0 HA LYS A 236 -6.645 -1.295 8.114 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -6.310 -3.764 6.362 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -7.081 -3.896 7.930 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -8.695 -2.054 7.240 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -7.966 -2.058 5.646 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -8.578 -4.431 5.314 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -9.164 -4.550 6.961 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -10.844 -2.707 6.430 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -10.316 -2.767 4.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -12.265 -4.164 5.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -10.935 -5.125 4.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -11.446 -5.067 6.296 1.00 0.00 H new ATOM 1062 N PRO A 237 -4.912 -2.033 9.840 1.00 0.00 N ATOM 1063 CA PRO A 237 -3.959 -2.511 10.875 1.00 0.00 C ATOM 1064 C PRO A 237 -4.511 -3.730 11.600 1.00 0.00 C ATOM 1065 O PRO A 237 -3.870 -4.311 12.455 1.00 0.00 O ATOM 1066 CB PRO A 237 -3.840 -1.315 11.821 1.00 0.00 C ATOM 1067 CG PRO A 237 -5.175 -0.646 11.753 1.00 0.00 C ATOM 1068 CD PRO A 237 -5.722 -0.911 10.348 1.00 0.00 C ATOM 0 HA PRO A 237 -3.000 -2.824 10.463 1.00 0.00 H new ATOM 0 HB2 PRO A 237 -3.608 -1.635 12.837 1.00 0.00 H new ATOM 0 HB3 PRO A 237 -3.042 -0.641 11.509 1.00 0.00 H new ATOM 0 HG2 PRO A 237 -5.848 -1.044 12.513 1.00 0.00 H new ATOM 0 HG3 PRO A 237 -5.083 0.424 11.938 1.00 0.00 H new ATOM 0 HD2 PRO A 237 -6.781 -1.167 10.377 1.00 0.00 H new ATOM 0 HD3 PRO A 237 -5.624 -0.031 9.712 1.00 0.00 H new ATOM 1076 N GLU A 238 -5.727 -4.076 11.279 1.00 0.00 N ATOM 1077 CA GLU A 238 -6.412 -5.222 11.948 1.00 0.00 C ATOM 1078 C GLU A 238 -5.618 -6.535 11.818 1.00 0.00 C ATOM 1079 O GLU A 238 -5.453 -7.249 12.786 1.00 0.00 O ATOM 1080 CB GLU A 238 -7.787 -5.406 11.303 1.00 0.00 C ATOM 1081 CG GLU A 238 -8.681 -4.218 11.665 1.00 0.00 C ATOM 1082 CD GLU A 238 -9.025 -4.289 13.157 1.00 0.00 C ATOM 1083 OE1 GLU A 238 -8.796 -5.335 13.741 1.00 0.00 O ATOM 1084 OE2 GLU A 238 -9.499 -3.299 13.690 1.00 0.00 O ATOM 0 H GLU A 238 -6.286 -3.605 10.568 1.00 0.00 H new ATOM 0 HA GLU A 238 -6.496 -4.993 13.010 1.00 0.00 H new ATOM 0 HB2 GLU A 238 -7.686 -5.483 10.220 1.00 0.00 H new ATOM 0 HB3 GLU A 238 -8.241 -6.335 11.647 1.00 0.00 H new ATOM 0 HG2 GLU A 238 -8.171 -3.281 11.440 1.00 0.00 H new ATOM 0 HG3 GLU A 238 -9.592 -4.237 11.067 1.00 0.00 H new ATOM 1091 N TYR A 239 -5.155 -6.883 10.638 1.00 0.00 N ATOM 1092 CA TYR A 239 -4.403 -8.179 10.469 1.00 0.00 C ATOM 1093 C TYR A 239 -3.099 -7.991 9.690 1.00 0.00 C ATOM 1094 O TYR A 239 -2.585 -8.933 9.123 1.00 0.00 O ATOM 1095 CB TYR A 239 -5.291 -9.166 9.728 1.00 0.00 C ATOM 1096 CG TYR A 239 -5.598 -8.627 8.361 1.00 0.00 C ATOM 1097 CD1 TYR A 239 -6.670 -7.744 8.185 1.00 0.00 C ATOM 1098 CD2 TYR A 239 -4.815 -9.012 7.264 1.00 0.00 C ATOM 1099 CE1 TYR A 239 -6.961 -7.249 6.917 1.00 0.00 C ATOM 1100 CE2 TYR A 239 -5.112 -8.515 5.992 1.00 0.00 C ATOM 1101 CZ TYR A 239 -6.186 -7.633 5.820 1.00 0.00 C ATOM 1102 OH TYR A 239 -6.491 -7.156 4.567 1.00 0.00 O ATOM 0 H TYR A 239 -5.263 -6.331 9.787 1.00 0.00 H new ATOM 0 HA TYR A 239 -4.144 -8.552 11.460 1.00 0.00 H new ATOM 0 HB2 TYR A 239 -4.792 -10.132 9.647 1.00 0.00 H new ATOM 0 HB3 TYR A 239 -6.215 -9.330 10.283 1.00 0.00 H new ATOM 0 HD1 TYR A 239 -7.271 -7.447 9.032 1.00 0.00 H new ATOM 0 HD2 TYR A 239 -3.986 -9.690 7.401 1.00 0.00 H new ATOM 0 HE1 TYR A 239 -7.787 -6.567 6.781 1.00 0.00 H new ATOM 0 HE2 TYR A 239 -4.514 -8.811 5.143 1.00 0.00 H new ATOM 0 HH TYR A 239 -7.415 -6.829 4.557 1.00 0.00 H new ATOM 1112 N ARG A 240 -2.529 -6.818 9.669 1.00 0.00 N ATOM 1113 CA ARG A 240 -1.241 -6.660 8.940 1.00 0.00 C ATOM 1114 C ARG A 240 -0.132 -7.294 9.775 1.00 0.00 C ATOM 1115 O ARG A 240 0.477 -6.667 10.621 1.00 0.00 O ATOM 1116 CB ARG A 240 -0.936 -5.167 8.697 1.00 0.00 C ATOM 1117 CG ARG A 240 -1.643 -4.656 7.429 1.00 0.00 C ATOM 1118 CD ARG A 240 -0.834 -5.019 6.166 1.00 0.00 C ATOM 1119 NE ARG A 240 -1.226 -6.368 5.686 1.00 0.00 N ATOM 1120 CZ ARG A 240 -0.871 -6.759 4.495 1.00 0.00 C ATOM 1121 NH1 ARG A 240 -0.163 -5.970 3.726 1.00 0.00 N ATOM 1122 NH2 ARG A 240 -1.220 -7.937 4.081 1.00 0.00 N ATOM 0 H ARG A 240 -2.892 -5.976 10.117 1.00 0.00 H new ATOM 0 HA ARG A 240 -1.306 -7.152 7.970 1.00 0.00 H new ATOM 0 HB2 ARG A 240 -1.259 -4.582 9.558 1.00 0.00 H new ATOM 0 HB3 ARG A 240 0.140 -5.024 8.600 1.00 0.00 H new ATOM 0 HG2 ARG A 240 -2.641 -5.089 7.364 1.00 0.00 H new ATOM 0 HG3 ARG A 240 -1.768 -3.575 7.488 1.00 0.00 H new ATOM 0 HD2 ARG A 240 -1.011 -4.280 5.385 1.00 0.00 H new ATOM 0 HD3 ARG A 240 0.233 -4.998 6.388 1.00 0.00 H new ATOM 0 HE ARG A 240 -1.771 -6.986 6.286 1.00 0.00 H new ATOM 0 HH11 ARG A 240 0.112 -5.046 4.059 1.00 0.00 H new ATOM 0 HH12 ARG A 240 0.113 -6.280 2.794 1.00 0.00 H new ATOM 0 HH21 ARG A 240 -1.768 -8.549 4.686 1.00 0.00 H new ATOM 0 HH22 ARG A 240 -0.947 -8.252 3.150 1.00 0.00 H new ATOM 1136 N HIS A 241 0.143 -8.536 9.527 1.00 0.00 N ATOM 1137 CA HIS A 241 1.219 -9.207 10.278 1.00 0.00 C ATOM 1138 C HIS A 241 2.532 -8.572 9.847 1.00 0.00 C ATOM 1139 O HIS A 241 3.467 -8.452 10.611 1.00 0.00 O ATOM 1140 CB HIS A 241 1.231 -10.685 9.916 1.00 0.00 C ATOM 1141 CG HIS A 241 -0.044 -11.346 10.381 1.00 0.00 C ATOM 1142 ND1 HIS A 241 -0.139 -11.984 11.610 1.00 0.00 N ATOM 1143 CD2 HIS A 241 -1.279 -11.496 9.784 1.00 0.00 C ATOM 1144 CE1 HIS A 241 -1.385 -12.484 11.713 1.00 0.00 C ATOM 1145 NE2 HIS A 241 -2.121 -12.214 10.630 1.00 0.00 N ATOM 0 H HIS A 241 -0.334 -9.114 8.835 1.00 0.00 H new ATOM 0 HA HIS A 241 1.072 -9.104 11.353 1.00 0.00 H new ATOM 0 HB2 HIS A 241 1.337 -10.802 8.838 1.00 0.00 H new ATOM 0 HB3 HIS A 241 2.091 -11.173 10.376 1.00 0.00 H new ATOM 0 HD2 HIS A 241 -1.551 -11.115 8.811 1.00 0.00 H new ATOM 0 HE1 HIS A 241 -1.746 -13.037 12.568 1.00 0.00 H new ATOM 0 HE2 HIS A 241 -3.092 -12.477 10.460 1.00 0.00 H new ATOM 1153 N TYR A 242 2.595 -8.140 8.619 1.00 0.00 N ATOM 1154 CA TYR A 242 3.825 -7.486 8.113 1.00 0.00 C ATOM 1155 C TYR A 242 3.805 -5.996 8.503 1.00 0.00 C ATOM 1156 O TYR A 242 2.949 -5.241 8.073 1.00 0.00 O ATOM 1157 CB TYR A 242 3.848 -7.650 6.592 1.00 0.00 C ATOM 1158 CG TYR A 242 4.925 -6.766 5.996 1.00 0.00 C ATOM 1159 CD1 TYR A 242 6.284 -7.096 6.133 1.00 0.00 C ATOM 1160 CD2 TYR A 242 4.559 -5.595 5.314 1.00 0.00 C ATOM 1161 CE1 TYR A 242 7.264 -6.260 5.592 1.00 0.00 C ATOM 1162 CE2 TYR A 242 5.539 -4.766 4.771 1.00 0.00 C ATOM 1163 CZ TYR A 242 6.890 -5.095 4.912 1.00 0.00 C ATOM 1164 OH TYR A 242 7.856 -4.263 4.389 1.00 0.00 O ATOM 0 H TYR A 242 1.837 -8.215 7.940 1.00 0.00 H new ATOM 0 HA TYR A 242 4.718 -7.938 8.544 1.00 0.00 H new ATOM 0 HB2 TYR A 242 4.035 -8.692 6.332 1.00 0.00 H new ATOM 0 HB3 TYR A 242 2.876 -7.387 6.174 1.00 0.00 H new ATOM 0 HD1 TYR A 242 6.571 -7.996 6.657 1.00 0.00 H new ATOM 0 HD2 TYR A 242 3.516 -5.336 5.210 1.00 0.00 H new ATOM 0 HE1 TYR A 242 8.309 -6.512 5.698 1.00 0.00 H new ATOM 0 HE2 TYR A 242 5.254 -3.869 4.241 1.00 0.00 H new ATOM 0 HH TYR A 242 7.664 -4.093 3.443 1.00 0.00 H new ATOM 1174 N GLN A 243 4.743 -5.568 9.315 1.00 0.00 N ATOM 1175 CA GLN A 243 4.778 -4.134 9.732 1.00 0.00 C ATOM 1176 C GLN A 243 6.078 -3.854 10.501 1.00 0.00 C ATOM 1177 O GLN A 243 6.771 -4.761 10.921 1.00 0.00 O ATOM 1178 CB GLN A 243 3.567 -3.831 10.623 1.00 0.00 C ATOM 1179 CG GLN A 243 3.630 -4.692 11.883 1.00 0.00 C ATOM 1180 CD GLN A 243 2.401 -4.435 12.738 1.00 0.00 C ATOM 1181 OE1 GLN A 243 2.519 -3.982 13.861 1.00 0.00 O ATOM 1182 NE2 GLN A 243 1.219 -4.718 12.259 1.00 0.00 N ATOM 0 H GLN A 243 5.484 -6.151 9.705 1.00 0.00 H new ATOM 0 HA GLN A 243 4.741 -3.496 8.849 1.00 0.00 H new ATOM 0 HB2 GLN A 243 3.556 -2.775 10.892 1.00 0.00 H new ATOM 0 HB3 GLN A 243 2.644 -4.031 10.079 1.00 0.00 H new ATOM 0 HG2 GLN A 243 3.683 -5.747 11.613 1.00 0.00 H new ATOM 0 HG3 GLN A 243 4.533 -4.462 12.448 1.00 0.00 H new ATOM 0 HE21 GLN A 243 1.128 -5.097 11.317 1.00 0.00 H new ATOM 0 HE22 GLN A 243 0.387 -4.559 12.827 1.00 0.00 H new TER 1191 GLN A 243