USER MOD reduce.3.24.130724 H: found=0, std=0, add=344, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 348 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 251 HIS :FLIP no HE2:sc= -0.199 F(o=-1.3,f=0.13) USER MOD Set 1.2: B 227 TYR OH : rot -39:sc= 0.326 USER MOD Set 2.1: A 250 ASN : amide:sc= -2.64 K(o=-3.9,f=-13!) USER MOD Set 2.2: A 253 ASN :FLIP amide:sc= -1.29! F(o=-4.9,f=-3.9!) USER MOD Set 3.1: A 238 GLN : amide:sc= 0.696 X(o=1.5,f=1.1) USER MOD Set 3.2: A 248 TYR OH : rot -61:sc= 0.78 USER MOD Single : A 240 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 241 THR OG1 : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= -0.0125 X(o=-0.012,f=-0.45) USER MOD Single : A 247 TYR OH : rot 100:sc= -2.04! USER MOD Single : A 252 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 254 LYS NZ :NH3+ -166:sc= -0.0329 (180deg=-0.321) USER MOD Single : A 255 THR OG1 : rot -35:sc= -0.407 USER MOD Single : A 256 THR OG1 : rot 90:sc= -1.67! USER MOD Single : A 257 SER OG : rot 180:sc= 0 USER MOD Single : B 222 THR OG1 : rot -32:sc= 0.358 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 230 7.797 3.665 9.417 1.00 15.00 N ATOM 2 CA GLY A 230 7.819 3.715 7.937 1.00 15.00 C ATOM 3 C GLY A 230 7.192 4.986 7.406 1.00 15.00 C ATOM 4 O GLY A 230 5.992 5.198 7.572 1.00 15.00 O ATOM 0 HA2 GLY A 230 8.849 3.644 7.587 1.00 15.00 H new ATOM 0 HA3 GLY A 230 7.286 2.853 7.537 1.00 15.00 H new ATOM 8 N PRO A 231 7.981 5.854 6.762 1.00 15.00 N ATOM 9 CA PRO A 231 7.535 7.130 6.247 1.00 15.00 C ATOM 10 C PRO A 231 7.285 7.035 4.751 1.00 15.00 C ATOM 11 O PRO A 231 8.225 6.866 3.974 1.00 15.00 O ATOM 12 CB PRO A 231 8.749 8.026 6.544 1.00 15.00 C ATOM 13 CG PRO A 231 9.913 7.080 6.745 1.00 15.00 C ATOM 14 CD PRO A 231 9.394 5.692 6.453 1.00 15.00 C ATOM 0 HA PRO A 231 6.603 7.491 6.682 1.00 15.00 H new ATOM 0 HB2 PRO A 231 8.940 8.713 5.720 1.00 15.00 H new ATOM 0 HB3 PRO A 231 8.580 8.634 7.433 1.00 15.00 H new ATOM 0 HG2 PRO A 231 10.738 7.333 6.079 1.00 15.00 H new ATOM 0 HG3 PRO A 231 10.294 7.145 7.764 1.00 15.00 H new ATOM 0 HD2 PRO A 231 9.559 5.400 5.416 1.00 15.00 H new ATOM 0 HD3 PRO A 231 9.868 4.934 7.077 1.00 15.00 H new ATOM 22 N LEU A 232 6.033 7.092 4.332 1.00 15.00 N ATOM 23 CA LEU A 232 5.740 6.747 2.952 1.00 15.00 C ATOM 24 C LEU A 232 6.205 7.838 2.016 1.00 15.00 C ATOM 25 O LEU A 232 6.373 8.985 2.423 1.00 15.00 O ATOM 26 CB LEU A 232 4.264 6.429 2.676 1.00 15.00 C ATOM 27 CG LEU A 232 3.618 5.345 3.551 1.00 15.00 C ATOM 28 CD1 LEU A 232 4.632 4.585 4.398 1.00 15.00 C ATOM 29 CD2 LEU A 232 2.543 5.934 4.433 1.00 15.00 C ATOM 0 H LEU A 232 5.231 7.363 4.901 1.00 15.00 H new ATOM 0 HA LEU A 232 6.293 5.826 2.767 1.00 15.00 H new ATOM 0 HB2 LEU A 232 3.690 7.348 2.793 1.00 15.00 H new ATOM 0 HB3 LEU A 232 4.170 6.126 1.633 1.00 15.00 H new ATOM 0 HG LEU A 232 3.168 4.627 2.866 1.00 15.00 H new ATOM 0 HD11 LEU A 232 4.116 3.833 4.995 1.00 15.00 H new ATOM 0 HD12 LEU A 232 5.357 4.097 3.747 1.00 15.00 H new ATOM 0 HD13 LEU A 232 5.148 5.281 5.059 1.00 15.00 H new ATOM 0 HD21 LEU A 232 2.101 5.146 5.043 1.00 15.00 H new ATOM 0 HD22 LEU A 232 2.980 6.693 5.082 1.00 15.00 H new ATOM 0 HD23 LEU A 232 1.771 6.388 3.812 1.00 15.00 H new ATOM 41 N PRO A 233 6.378 7.502 0.733 1.00 15.00 N ATOM 42 CA PRO A 233 6.953 8.424 -0.242 1.00 15.00 C ATOM 43 C PRO A 233 6.100 9.678 -0.408 1.00 15.00 C ATOM 44 O PRO A 233 6.586 10.802 -0.310 1.00 15.00 O ATOM 45 CB PRO A 233 6.942 7.611 -1.530 1.00 15.00 C ATOM 46 CG PRO A 233 6.849 6.174 -1.107 1.00 15.00 C ATOM 47 CD PRO A 233 5.988 6.215 0.111 1.00 15.00 C ATOM 0 HA PRO A 233 7.941 8.777 0.053 1.00 15.00 H new ATOM 0 HB2 PRO A 233 6.097 7.888 -2.160 1.00 15.00 H new ATOM 0 HB3 PRO A 233 7.846 7.789 -2.112 1.00 15.00 H new ATOM 0 HG2 PRO A 233 6.407 5.555 -1.888 1.00 15.00 H new ATOM 0 HG3 PRO A 233 7.832 5.757 -0.888 1.00 15.00 H new ATOM 0 HD2 PRO A 233 4.928 6.190 -0.140 1.00 15.00 H new ATOM 0 HD3 PRO A 233 6.179 5.370 0.772 1.00 15.00 H new ATOM 55 N ASP A 234 4.822 9.456 -0.656 1.00 15.00 N ATOM 56 CA ASP A 234 3.859 10.534 -0.833 1.00 15.00 C ATOM 57 C ASP A 234 3.000 10.666 0.414 1.00 15.00 C ATOM 58 O ASP A 234 2.219 11.606 0.550 1.00 15.00 O ATOM 59 CB ASP A 234 2.960 10.269 -2.043 1.00 15.00 C ATOM 60 CG ASP A 234 3.738 9.965 -3.307 1.00 15.00 C ATOM 61 OD1 ASP A 234 4.148 8.798 -3.491 1.00 15.00 O ATOM 62 OD2 ASP A 234 3.926 10.881 -4.132 1.00 15.00 O1- ATOM 0 H ASP A 234 4.419 8.523 -0.741 1.00 15.00 H new ATOM 0 HA ASP A 234 4.409 11.460 -1.003 1.00 15.00 H new ATOM 0 HB2 ASP A 234 2.299 9.431 -1.820 1.00 15.00 H new ATOM 0 HB3 ASP A 234 2.326 11.139 -2.214 1.00 15.00 H new ATOM 67 N GLY A 235 3.137 9.693 1.307 1.00 15.00 N ATOM 68 CA GLY A 235 2.246 9.589 2.447 1.00 15.00 C ATOM 69 C GLY A 235 1.042 8.731 2.122 1.00 15.00 C ATOM 70 O GLY A 235 -0.102 9.161 2.254 1.00 15.00 O ATOM 0 H GLY A 235 3.855 8.970 1.261 1.00 15.00 H new ATOM 0 HA2 GLY A 235 2.783 9.162 3.294 1.00 15.00 H new ATOM 0 HA3 GLY A 235 1.917 10.584 2.747 1.00 15.00 H new ATOM 74 N TRP A 236 1.313 7.505 1.692 1.00 15.00 N ATOM 75 CA TRP A 236 0.270 6.600 1.240 1.00 15.00 C ATOM 76 C TRP A 236 0.386 5.236 1.898 1.00 15.00 C ATOM 77 O TRP A 236 1.478 4.737 2.073 1.00 15.00 O ATOM 78 CB TRP A 236 0.282 6.496 -0.265 1.00 15.00 C ATOM 79 CG TRP A 236 1.588 6.168 -0.948 1.00 15.00 C ATOM 80 CD1 TRP A 236 2.712 6.950 -1.108 1.00 15.00 C ATOM 81 CD2 TRP A 236 1.869 4.959 -1.656 1.00 15.00 C ATOM 82 NE1 TRP A 236 3.563 6.338 -1.966 1.00 15.00 N ATOM 83 CE2 TRP A 236 3.102 5.109 -2.277 1.00 15.00 C ATOM 84 CE3 TRP A 236 1.196 3.772 -1.850 1.00 15.00 C ATOM 85 CZ2 TRP A 236 3.663 4.123 -3.077 1.00 15.00 C ATOM 86 CZ3 TRP A 236 1.785 2.808 -2.651 1.00 15.00 C ATOM 87 CH2 TRP A 236 2.992 2.984 -3.243 1.00 15.00 C ATOM 0 H TRP A 236 2.254 7.115 1.648 1.00 15.00 H new ATOM 0 HA TRP A 236 -0.692 7.013 1.544 1.00 15.00 H new ATOM 0 HB2 TRP A 236 -0.444 5.735 -0.552 1.00 15.00 H new ATOM 0 HB3 TRP A 236 -0.075 7.444 -0.667 1.00 15.00 H new ATOM 0 HD1 TRP A 236 2.886 7.900 -0.626 1.00 15.00 H new ATOM 0 HE1 TRP A 236 4.426 6.747 -2.324 1.00 15.00 H new ATOM 0 HE3 TRP A 236 0.235 3.598 -1.390 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 4.620 4.275 -3.553 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 1.261 1.877 -2.811 1.00 15.00 H new ATOM 0 HH2 TRP A 236 3.412 2.197 -3.852 1.00 15.00 H new ATOM 98 N GLU A 237 -0.729 4.548 2.079 1.00 15.00 N ATOM 99 CA GLU A 237 -0.906 3.720 3.262 1.00 15.00 C ATOM 100 C GLU A 237 -0.392 2.325 3.091 1.00 15.00 C ATOM 101 O GLU A 237 -0.570 1.664 2.069 1.00 15.00 O ATOM 102 CB GLU A 237 -2.392 3.659 3.618 1.00 15.00 C ATOM 103 CG GLU A 237 -2.767 2.811 4.833 1.00 15.00 C ATOM 104 CD GLU A 237 -2.098 3.297 6.107 1.00 15.00 C ATOM 105 OE1 GLU A 237 -0.861 3.174 6.231 1.00 15.00 O ATOM 106 OE2 GLU A 237 -2.804 3.836 6.980 1.00 15.00 O1- ATOM 0 H GLU A 237 -1.517 4.545 1.431 1.00 15.00 H new ATOM 0 HA GLU A 237 -0.324 4.183 4.059 1.00 15.00 H new ATOM 0 HB2 GLU A 237 -2.744 4.676 3.790 1.00 15.00 H new ATOM 0 HB3 GLU A 237 -2.935 3.276 2.754 1.00 15.00 H new ATOM 0 HG2 GLU A 237 -3.849 2.828 4.965 1.00 15.00 H new ATOM 0 HG3 GLU A 237 -2.485 1.774 4.650 1.00 15.00 H new ATOM 113 N GLN A 238 0.207 1.913 4.182 1.00 15.00 N ATOM 114 CA GLN A 238 0.860 0.632 4.319 1.00 15.00 C ATOM 115 C GLN A 238 0.204 -0.145 5.432 1.00 15.00 C ATOM 116 O GLN A 238 0.344 0.181 6.611 1.00 15.00 O ATOM 117 CB GLN A 238 2.349 0.774 4.621 1.00 15.00 C ATOM 118 CG GLN A 238 3.017 -0.552 4.944 1.00 15.00 C ATOM 119 CD GLN A 238 3.856 -0.481 6.202 1.00 15.00 C ATOM 120 OE1 GLN A 238 5.045 -0.177 6.153 1.00 15.00 O ATOM 121 NE2 GLN A 238 3.238 -0.748 7.342 1.00 15.00 N ATOM 0 H GLN A 238 0.255 2.480 5.029 1.00 15.00 H new ATOM 0 HA GLN A 238 0.760 0.107 3.369 1.00 15.00 H new ATOM 0 HB2 GLN A 238 2.847 1.226 3.763 1.00 15.00 H new ATOM 0 HB3 GLN A 238 2.481 1.455 5.462 1.00 15.00 H new ATOM 0 HG2 GLN A 238 2.254 -1.322 5.062 1.00 15.00 H new ATOM 0 HG3 GLN A 238 3.647 -0.853 4.107 1.00 15.00 H new ATOM 0 HE21 GLN A 238 2.249 -0.997 7.340 1.00 15.00 H new ATOM 0 HE22 GLN A 238 3.751 -0.705 8.223 1.00 15.00 H new ATOM 130 N ALA A 239 -0.509 -1.164 5.053 1.00 15.00 N ATOM 131 CA ALA A 239 -1.266 -1.944 5.992 1.00 15.00 C ATOM 132 C ALA A 239 -1.009 -3.414 5.753 1.00 15.00 C ATOM 133 O ALA A 239 -0.704 -3.818 4.629 1.00 15.00 O ATOM 134 CB ALA A 239 -2.736 -1.615 5.879 1.00 15.00 C ATOM 0 H ALA A 239 -0.584 -1.479 4.086 1.00 15.00 H new ATOM 0 HA ALA A 239 -0.950 -1.702 7.007 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -3.299 -2.213 6.596 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -2.889 -0.557 6.090 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -3.082 -1.838 4.870 1.00 15.00 H new ATOM 140 N MET A 240 -1.101 -4.209 6.797 1.00 15.00 N ATOM 141 CA MET A 240 -0.787 -5.614 6.676 1.00 15.00 C ATOM 142 C MET A 240 -2.033 -6.377 6.285 1.00 15.00 C ATOM 143 O MET A 240 -3.004 -6.453 7.036 1.00 15.00 O ATOM 144 CB MET A 240 -0.232 -6.174 7.988 1.00 15.00 C ATOM 145 CG MET A 240 1.083 -5.550 8.418 1.00 15.00 C ATOM 146 SD MET A 240 1.758 -6.308 9.907 1.00 15.00 S ATOM 147 CE MET A 240 3.275 -5.377 10.088 1.00 15.00 C ATOM 0 H MET A 240 -1.388 -3.910 7.729 1.00 15.00 H new ATOM 0 HA MET A 240 -0.023 -5.729 5.907 1.00 15.00 H new ATOM 0 HB2 MET A 240 -0.969 -6.023 8.776 1.00 15.00 H new ATOM 0 HB3 MET A 240 -0.094 -7.250 7.883 1.00 15.00 H new ATOM 0 HG2 MET A 240 1.807 -5.643 7.608 1.00 15.00 H new ATOM 0 HG3 MET A 240 0.935 -4.484 8.593 1.00 15.00 H new ATOM 0 HE1 MET A 240 3.813 -5.726 10.969 1.00 15.00 H new ATOM 0 HE2 MET A 240 3.896 -5.518 9.203 1.00 15.00 H new ATOM 0 HE3 MET A 240 3.041 -4.319 10.202 1.00 15.00 H new ATOM 157 N THR A 241 -1.982 -6.937 5.095 1.00 15.00 N ATOM 158 CA THR A 241 -3.100 -7.658 4.536 1.00 15.00 C ATOM 159 C THR A 241 -2.996 -9.114 4.955 1.00 15.00 C ATOM 160 O THR A 241 -1.889 -9.613 5.180 1.00 15.00 O ATOM 161 CB THR A 241 -3.136 -7.534 2.990 1.00 15.00 C ATOM 162 OG1 THR A 241 -4.322 -8.139 2.465 1.00 15.00 O ATOM 163 CG2 THR A 241 -1.918 -8.183 2.354 1.00 15.00 C ATOM 0 H THR A 241 -1.162 -6.904 4.489 1.00 15.00 H new ATOM 0 HA THR A 241 -4.028 -7.229 4.913 1.00 15.00 H new ATOM 0 HB THR A 241 -3.131 -6.471 2.749 1.00 15.00 H new ATOM 0 HG1 THR A 241 -4.330 -8.051 1.489 1.00 15.00 H new ATOM 0 HG21 THR A 241 -1.974 -8.079 1.270 1.00 15.00 H new ATOM 0 HG22 THR A 241 -1.014 -7.696 2.719 1.00 15.00 H new ATOM 0 HG23 THR A 241 -1.891 -9.241 2.616 1.00 15.00 H new ATOM 171 N GLN A 242 -4.142 -9.774 5.085 1.00 15.00 N ATOM 172 CA GLN A 242 -4.223 -11.116 5.658 1.00 15.00 C ATOM 173 C GLN A 242 -3.393 -12.114 4.862 1.00 15.00 C ATOM 174 O GLN A 242 -2.944 -13.133 5.391 1.00 15.00 O ATOM 175 CB GLN A 242 -5.679 -11.569 5.690 1.00 15.00 C ATOM 176 CG GLN A 242 -6.618 -10.537 6.298 1.00 15.00 C ATOM 177 CD GLN A 242 -6.244 -10.165 7.721 1.00 15.00 C ATOM 178 OE1 GLN A 242 -5.726 -10.985 8.477 1.00 15.00 O ATOM 179 NE2 GLN A 242 -6.482 -8.915 8.083 1.00 15.00 N ATOM 0 H GLN A 242 -5.043 -9.394 4.796 1.00 15.00 H new ATOM 0 HA GLN A 242 -3.822 -11.077 6.671 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -6.005 -11.793 4.674 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -5.751 -12.496 6.259 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -6.613 -9.639 5.680 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -7.636 -10.927 6.285 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -6.914 -8.267 7.424 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -6.234 -8.600 9.021 1.00 15.00 H new ATOM 188 N ASP A 243 -3.224 -11.820 3.581 1.00 15.00 N ATOM 189 CA ASP A 243 -2.341 -12.591 2.700 1.00 15.00 C ATOM 190 C ASP A 243 -0.893 -12.559 3.203 1.00 15.00 C ATOM 191 O ASP A 243 -0.054 -13.370 2.807 1.00 15.00 O ATOM 192 CB ASP A 243 -2.398 -12.008 1.296 1.00 15.00 C ATOM 193 CG ASP A 243 -1.645 -12.847 0.285 1.00 15.00 C ATOM 194 OD1 ASP A 243 -2.152 -13.923 -0.097 1.00 15.00 O1- ATOM 195 OD2 ASP A 243 -0.548 -12.435 -0.138 1.00 15.00 O ATOM 0 H ASP A 243 -3.692 -11.041 3.117 1.00 15.00 H new ATOM 0 HA ASP A 243 -2.681 -13.627 2.693 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -3.439 -11.920 0.986 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -1.982 -11.000 1.308 1.00 15.00 H new ATOM 200 N GLY A 244 -0.625 -11.604 4.074 1.00 15.00 N ATOM 201 CA GLY A 244 0.678 -11.467 4.694 1.00 15.00 C ATOM 202 C GLY A 244 1.610 -10.566 3.911 1.00 15.00 C ATOM 203 O GLY A 244 2.685 -10.988 3.500 1.00 15.00 O ATOM 0 H GLY A 244 -1.304 -10.903 4.371 1.00 15.00 H new ATOM 0 HA2 GLY A 244 0.556 -11.068 5.701 1.00 15.00 H new ATOM 0 HA3 GLY A 244 1.133 -12.453 4.795 1.00 15.00 H new ATOM 207 N GLU A 245 1.189 -9.316 3.726 1.00 15.00 N ATOM 208 CA GLU A 245 2.011 -8.297 3.058 1.00 15.00 C ATOM 209 C GLU A 245 1.703 -6.917 3.617 1.00 15.00 C ATOM 210 O GLU A 245 0.544 -6.604 3.897 1.00 15.00 O ATOM 211 CB GLU A 245 1.756 -8.275 1.545 1.00 15.00 C ATOM 212 CG GLU A 245 2.460 -9.382 0.774 1.00 15.00 C ATOM 213 CD GLU A 245 3.968 -9.330 0.913 1.00 15.00 C ATOM 214 OE1 GLU A 245 4.577 -8.341 0.473 1.00 15.00 O1- ATOM 215 OE2 GLU A 245 4.556 -10.285 1.465 1.00 15.00 O ATOM 0 H GLU A 245 0.276 -8.978 4.031 1.00 15.00 H new ATOM 0 HA GLU A 245 3.054 -8.554 3.242 1.00 15.00 H new ATOM 0 HB2 GLU A 245 0.683 -8.351 1.368 1.00 15.00 H new ATOM 0 HB3 GLU A 245 2.077 -7.312 1.148 1.00 15.00 H new ATOM 0 HG2 GLU A 245 2.101 -10.349 1.127 1.00 15.00 H new ATOM 0 HG3 GLU A 245 2.195 -9.309 -0.281 1.00 15.00 H new ATOM 222 N ILE A 246 2.728 -6.088 3.757 1.00 15.00 N ATOM 223 CA ILE A 246 2.524 -4.700 4.134 1.00 15.00 C ATOM 224 C ILE A 246 2.350 -3.863 2.869 1.00 15.00 C ATOM 225 O ILE A 246 3.309 -3.377 2.282 1.00 15.00 O ATOM 226 CB ILE A 246 3.677 -4.143 5.017 1.00 15.00 C ATOM 227 CG1 ILE A 246 5.022 -4.162 4.277 1.00 15.00 C ATOM 228 CG2 ILE A 246 3.777 -4.941 6.308 1.00 15.00 C ATOM 229 CD1 ILE A 246 6.195 -3.702 5.118 1.00 15.00 C ATOM 0 H ILE A 246 3.703 -6.352 3.616 1.00 15.00 H new ATOM 0 HA ILE A 246 1.623 -4.642 4.745 1.00 15.00 H new ATOM 0 HB ILE A 246 3.444 -3.104 5.250 1.00 15.00 H new ATOM 0 HG12 ILE A 246 5.216 -5.175 3.924 1.00 15.00 H new ATOM 0 HG13 ILE A 246 4.949 -3.526 3.395 1.00 15.00 H new ATOM 0 HG21 ILE A 246 4.587 -4.544 6.920 1.00 15.00 H new ATOM 0 HG22 ILE A 246 2.838 -4.865 6.856 1.00 15.00 H new ATOM 0 HG23 ILE A 246 3.978 -5.987 6.075 1.00 15.00 H new ATOM 0 HD11 ILE A 246 7.108 -3.744 4.524 1.00 15.00 H new ATOM 0 HD12 ILE A 246 6.025 -2.678 5.450 1.00 15.00 H new ATOM 0 HD13 ILE A 246 6.297 -4.352 5.987 1.00 15.00 H new ATOM 241 N TYR A 247 1.110 -3.687 2.455 1.00 15.00 N ATOM 242 CA TYR A 247 0.833 -3.176 1.123 1.00 15.00 C ATOM 243 C TYR A 247 0.763 -1.650 1.134 1.00 15.00 C ATOM 244 O TYR A 247 0.370 -1.048 2.128 1.00 15.00 O ATOM 245 CB TYR A 247 -0.483 -3.777 0.578 1.00 15.00 C ATOM 246 CG TYR A 247 -1.735 -3.086 1.079 1.00 15.00 C ATOM 247 CD1 TYR A 247 -2.054 -1.829 0.613 1.00 15.00 C ATOM 248 CD2 TYR A 247 -2.576 -3.672 2.018 1.00 15.00 C ATOM 249 CE1 TYR A 247 -3.156 -1.155 1.053 1.00 15.00 C ATOM 250 CE2 TYR A 247 -3.701 -3.008 2.476 1.00 15.00 C ATOM 251 CZ TYR A 247 -3.985 -1.740 1.990 1.00 15.00 C ATOM 252 OH TYR A 247 -5.104 -1.065 2.429 1.00 15.00 O ATOM 0 H TYR A 247 0.282 -3.888 3.016 1.00 15.00 H new ATOM 0 HA TYR A 247 1.648 -3.474 0.464 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -0.467 -3.731 -0.511 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -0.529 -4.831 0.852 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -1.413 -1.364 -0.122 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -2.349 -4.658 2.395 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -3.379 -0.170 0.671 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.350 -3.472 3.204 1.00 15.00 H new ATOM 0 HH TYR A 247 -5.895 -1.404 1.960 1.00 15.00 H new ATOM 262 N TYR A 248 1.129 -1.054 0.012 1.00 15.00 N ATOM 263 CA TYR A 248 1.116 0.394 -0.182 1.00 15.00 C ATOM 264 C TYR A 248 0.070 0.810 -1.225 1.00 15.00 C ATOM 265 O TYR A 248 0.113 0.357 -2.360 1.00 15.00 O ATOM 266 CB TYR A 248 2.516 0.822 -0.568 1.00 15.00 C ATOM 267 CG TYR A 248 3.413 0.972 0.636 1.00 15.00 C ATOM 268 CD1 TYR A 248 4.097 -0.122 1.164 1.00 15.00 C ATOM 269 CD2 TYR A 248 3.593 2.215 1.243 1.00 15.00 C ATOM 270 CE1 TYR A 248 4.925 0.023 2.258 1.00 15.00 C ATOM 271 CE2 TYR A 248 4.423 2.356 2.324 1.00 15.00 C ATOM 272 CZ TYR A 248 5.087 1.263 2.833 1.00 15.00 C ATOM 273 OH TYR A 248 5.922 1.416 3.918 1.00 15.00 O ATOM 0 H TYR A 248 1.450 -1.569 -0.808 1.00 15.00 H new ATOM 0 HA TYR A 248 0.826 0.897 0.740 1.00 15.00 H new ATOM 0 HB2 TYR A 248 2.945 0.088 -1.250 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.470 1.769 -1.106 1.00 15.00 H new ATOM 0 HD1 TYR A 248 3.977 -1.095 0.711 1.00 15.00 H new ATOM 0 HD2 TYR A 248 3.071 3.078 0.856 1.00 15.00 H new ATOM 0 HE1 TYR A 248 5.444 -0.834 2.662 1.00 15.00 H new ATOM 0 HE2 TYR A 248 4.557 3.327 2.778 1.00 15.00 H new ATOM 0 HH TYR A 248 5.598 0.864 4.660 1.00 15.00 H new ATOM 283 N ILE A 249 -0.883 1.667 -0.832 1.00 15.00 N ATOM 284 CA ILE A 249 -1.834 2.254 -1.794 1.00 15.00 C ATOM 285 C ILE A 249 -1.903 3.770 -1.651 1.00 15.00 C ATOM 286 O ILE A 249 -1.857 4.302 -0.541 1.00 15.00 O ATOM 287 CB ILE A 249 -3.271 1.714 -1.665 1.00 15.00 C ATOM 288 CG1 ILE A 249 -3.821 1.932 -0.253 1.00 15.00 C ATOM 289 CG2 ILE A 249 -3.349 0.258 -2.072 1.00 15.00 C ATOM 290 CD1 ILE A 249 -5.115 1.197 -0.001 1.00 15.00 C ATOM 0 H ILE A 249 -1.018 1.968 0.133 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.442 1.965 -2.769 1.00 15.00 H new ATOM 0 HB ILE A 249 -3.901 2.279 -2.352 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -3.077 1.606 0.474 1.00 15.00 H new ATOM 0 HG13 ILE A 249 -3.979 2.998 -0.092 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -4.376 -0.094 -1.970 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -3.031 0.153 -3.109 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.697 -0.335 -1.430 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -5.452 1.392 1.017 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -5.872 1.540 -0.706 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -4.957 0.126 -0.131 1.00 15.00 H new ATOM 302 N ASN A 250 -2.021 4.457 -2.778 1.00 15.00 N ATOM 303 CA ASN A 250 -2.093 5.914 -2.781 1.00 15.00 C ATOM 304 C ASN A 250 -3.281 6.380 -3.606 1.00 15.00 C ATOM 305 O ASN A 250 -3.513 5.872 -4.705 1.00 15.00 O ATOM 306 CB ASN A 250 -0.811 6.516 -3.363 1.00 15.00 C ATOM 307 CG ASN A 250 -0.673 8.011 -3.091 1.00 15.00 C ATOM 308 OD1 ASN A 250 -1.653 8.719 -2.902 1.00 15.00 O ATOM 309 ND2 ASN A 250 0.550 8.506 -3.090 1.00 15.00 N ATOM 0 H ASN A 250 -2.069 4.030 -3.703 1.00 15.00 H new ATOM 0 HA ASN A 250 -2.210 6.249 -1.750 1.00 15.00 H new ATOM 0 HB2 ASN A 250 0.050 5.996 -2.944 1.00 15.00 H new ATOM 0 HB3 ASN A 250 -0.793 6.346 -4.439 1.00 15.00 H new ATOM 0 HD21 ASN A 250 0.697 9.502 -2.929 1.00 15.00 H new ATOM 0 HD22 ASN A 250 1.349 7.892 -3.250 1.00 15.00 H new ATOM 316 N HIS A 251 -4.000 7.366 -3.081 1.00 15.00 N ATOM 317 CA HIS A 251 -5.148 7.955 -3.764 1.00 15.00 C ATOM 318 C HIS A 251 -4.708 8.980 -4.803 1.00 15.00 C ATOM 319 O HIS A 251 -5.447 9.276 -5.740 1.00 15.00 O ATOM 320 CB HIS A 251 -6.103 8.600 -2.753 1.00 15.00 C ATOM 321 CG HIS A 251 -6.862 7.612 -1.913 1.00 15.00 C ATOM 322 ND1 HIS A 251 -8.186 7.337 -1.858 1.00 15.00 N flip ATOM 323 CD2 HIS A 251 -6.263 6.766 -1.000 1.00 15.00 C flip ATOM 324 CE1 HIS A 251 -8.366 6.344 -0.927 1.00 15.00 C flip ATOM 325 NE2 HIS A 251 -7.187 6.019 -0.427 1.00 15.00 N flip ATOM 0 H HIS A 251 -3.804 7.780 -2.170 1.00 15.00 H new ATOM 0 HA HIS A 251 -5.674 7.153 -4.282 1.00 15.00 H new ATOM 0 HB2 HIS A 251 -5.532 9.256 -2.097 1.00 15.00 H new ATOM 0 HB3 HIS A 251 -6.815 9.227 -3.290 1.00 15.00 H new ATOM 0 HD1 HIS A 251 -8.918 7.786 -2.409 1.00 15.00 H new ATOM 0 HD2 HIS A 251 -5.205 6.723 -0.789 1.00 15.00 H new ATOM 0 HE1 HIS A 251 -9.312 5.903 -0.650 1.00 15.00 H new ATOM 334 N LYS A 252 -3.513 9.529 -4.629 1.00 15.00 N ATOM 335 CA LYS A 252 -2.956 10.458 -5.605 1.00 15.00 C ATOM 336 C LYS A 252 -2.117 9.705 -6.635 1.00 15.00 C ATOM 337 O LYS A 252 -1.897 10.184 -7.749 1.00 15.00 O ATOM 338 CB LYS A 252 -2.112 11.544 -4.920 1.00 15.00 C ATOM 339 CG LYS A 252 -1.520 12.551 -5.894 1.00 15.00 C ATOM 340 CD LYS A 252 -0.738 13.645 -5.188 1.00 15.00 C ATOM 341 CE LYS A 252 -0.065 14.563 -6.196 1.00 15.00 C ATOM 342 NZ LYS A 252 0.625 15.704 -5.545 1.00 15.00 N1+ ATOM 0 H LYS A 252 -2.912 9.349 -3.825 1.00 15.00 H new ATOM 0 HA LYS A 252 -3.785 10.948 -6.115 1.00 15.00 H new ATOM 0 HB2 LYS A 252 -2.731 12.072 -4.195 1.00 15.00 H new ATOM 0 HB3 LYS A 252 -1.304 11.069 -4.364 1.00 15.00 H new ATOM 0 HG2 LYS A 252 -0.865 12.033 -6.595 1.00 15.00 H new ATOM 0 HG3 LYS A 252 -2.322 13.001 -6.480 1.00 15.00 H new ATOM 0 HD2 LYS A 252 -1.407 14.224 -4.552 1.00 15.00 H new ATOM 0 HD3 LYS A 252 0.014 13.199 -4.537 1.00 15.00 H new ATOM 0 HE2 LYS A 252 0.656 13.991 -6.781 1.00 15.00 H new ATOM 0 HE3 LYS A 252 -0.812 14.943 -6.893 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 1.069 16.302 -6.271 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 -0.065 16.267 -5.008 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 1.356 15.345 -4.899 1.00 15.00 H new ATOM 356 N ASN A 253 -1.631 8.529 -6.252 1.00 15.00 N ATOM 357 CA ASN A 253 -0.887 7.688 -7.184 1.00 15.00 C ATOM 358 C ASN A 253 -1.834 6.735 -7.903 1.00 15.00 C ATOM 359 O ASN A 253 -1.530 6.251 -8.996 1.00 15.00 O ATOM 360 CB ASN A 253 0.245 6.897 -6.486 1.00 15.00 C ATOM 361 CG ASN A 253 1.402 7.786 -6.052 1.00 15.00 C ATOM 362 OD1 ASN A 253 2.230 7.289 -5.137 1.00 15.00 O flip ATOM 363 ND2 ASN A 253 1.573 8.896 -6.553 1.00 15.00 N flip ATOM 0 H ASN A 253 -1.737 8.140 -5.315 1.00 15.00 H new ATOM 0 HA ASN A 253 -0.416 8.348 -7.912 1.00 15.00 H new ATOM 0 HB2 ASN A 253 -0.160 6.384 -5.614 1.00 15.00 H new ATOM 0 HB3 ASN A 253 0.617 6.129 -7.164 1.00 15.00 H new ATOM 0 HD21 ASN A 253 0.918 9.246 -7.252 1.00 15.00 H new ATOM 0 HD22 ASN A 253 2.370 9.466 -6.269 1.00 15.00 H new ATOM 370 N LYS A 254 -2.984 6.472 -7.276 1.00 15.00 N ATOM 371 CA LYS A 254 -3.981 5.544 -7.809 1.00 15.00 C ATOM 372 C LYS A 254 -3.339 4.172 -8.042 1.00 15.00 C ATOM 373 O LYS A 254 -3.659 3.460 -8.990 1.00 15.00 O ATOM 374 CB LYS A 254 -4.587 6.108 -9.104 1.00 15.00 C ATOM 375 CG LYS A 254 -5.781 5.315 -9.611 1.00 15.00 C ATOM 376 CD LYS A 254 -6.476 6.000 -10.773 1.00 15.00 C ATOM 377 CE LYS A 254 -7.686 5.202 -11.236 1.00 15.00 C ATOM 378 NZ LYS A 254 -7.317 3.825 -11.659 1.00 15.00 N1+ ATOM 0 H LYS A 254 -3.248 6.896 -6.387 1.00 15.00 H new ATOM 0 HA LYS A 254 -4.789 5.422 -7.088 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -4.893 7.140 -8.933 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -3.819 6.127 -9.877 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -5.451 4.324 -9.921 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -6.492 5.174 -8.797 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -6.789 7.001 -10.475 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -5.776 6.118 -11.600 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -8.416 5.150 -10.428 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -8.166 5.720 -12.066 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -8.108 3.399 -12.182 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -6.477 3.863 -12.272 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -7.107 3.248 -10.819 1.00 15.00 H new ATOM 392 N THR A 255 -2.461 3.787 -7.131 1.00 15.00 N ATOM 393 CA THR A 255 -1.670 2.574 -7.311 1.00 15.00 C ATOM 394 C THR A 255 -1.610 1.746 -6.047 1.00 15.00 C ATOM 395 O THR A 255 -1.680 2.270 -4.931 1.00 15.00 O ATOM 396 CB THR A 255 -0.209 2.861 -7.674 1.00 15.00 C ATOM 397 OG1 THR A 255 -0.062 4.189 -8.178 1.00 15.00 O ATOM 398 CG2 THR A 255 0.353 1.875 -8.687 1.00 15.00 C ATOM 0 H THR A 255 -2.276 4.291 -6.264 1.00 15.00 H new ATOM 0 HA THR A 255 -2.175 2.046 -8.120 1.00 15.00 H new ATOM 0 HB THR A 255 0.359 2.749 -6.750 1.00 15.00 H new ATOM 0 HG1 THR A 255 -0.860 4.434 -8.692 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.390 2.129 -8.905 1.00 15.00 H new ATOM 0 HG22 THR A 255 0.305 0.866 -8.278 1.00 15.00 H new ATOM 0 HG23 THR A 255 -0.233 1.923 -9.605 1.00 15.00 H new ATOM 406 N THR A 256 -1.476 0.459 -6.254 1.00 15.00 N ATOM 407 CA THR A 256 -1.189 -0.474 -5.191 1.00 15.00 C ATOM 408 C THR A 256 0.127 -1.192 -5.474 1.00 15.00 C ATOM 409 O THR A 256 0.287 -1.847 -6.509 1.00 15.00 O ATOM 410 CB THR A 256 -2.292 -1.521 -5.025 1.00 15.00 C ATOM 411 OG1 THR A 256 -3.562 -0.879 -4.872 1.00 15.00 O ATOM 412 CG2 THR A 256 -1.995 -2.396 -3.815 1.00 15.00 C ATOM 0 H THR A 256 -1.564 0.025 -7.173 1.00 15.00 H new ATOM 0 HA THR A 256 -1.124 0.103 -4.268 1.00 15.00 H new ATOM 0 HB THR A 256 -2.324 -2.148 -5.916 1.00 15.00 H new ATOM 0 HG1 THR A 256 -3.971 -0.750 -5.753 1.00 15.00 H new ATOM 0 HG21 THR A 256 -2.784 -3.140 -3.701 1.00 15.00 H new ATOM 0 HG22 THR A 256 -1.039 -2.900 -3.956 1.00 15.00 H new ATOM 0 HG23 THR A 256 -1.950 -1.776 -2.920 1.00 15.00 H new ATOM 420 N SER A 257 1.059 -1.055 -4.555 1.00 15.00 N ATOM 421 CA SER A 257 2.355 -1.686 -4.656 1.00 15.00 C ATOM 422 C SER A 257 2.584 -2.564 -3.422 1.00 15.00 C ATOM 423 O SER A 257 2.168 -2.200 -2.322 1.00 15.00 O ATOM 424 CB SER A 257 3.430 -0.601 -4.773 1.00 15.00 C ATOM 425 OG SER A 257 4.722 -1.160 -4.933 1.00 15.00 O ATOM 0 H SER A 257 0.936 -0.497 -3.710 1.00 15.00 H new ATOM 0 HA SER A 257 2.406 -2.320 -5.542 1.00 15.00 H new ATOM 0 HB2 SER A 257 3.205 0.045 -5.622 1.00 15.00 H new ATOM 0 HB3 SER A 257 3.413 0.027 -3.882 1.00 15.00 H new ATOM 0 HG SER A 257 5.383 -0.440 -5.006 1.00 15.00 H new ATOM 431 N TRP A 258 3.240 -3.706 -3.613 1.00 15.00 N ATOM 432 CA TRP A 258 3.465 -4.662 -2.526 1.00 15.00 C ATOM 433 C TRP A 258 4.258 -4.061 -1.378 1.00 15.00 C ATOM 434 O TRP A 258 3.727 -3.806 -0.307 1.00 15.00 O ATOM 435 CB TRP A 258 4.232 -5.891 -3.029 1.00 15.00 C ATOM 436 CG TRP A 258 3.395 -6.896 -3.752 1.00 15.00 C ATOM 437 CD1 TRP A 258 3.628 -7.412 -4.994 1.00 15.00 C ATOM 438 CD2 TRP A 258 2.192 -7.506 -3.282 1.00 15.00 C ATOM 439 NE1 TRP A 258 2.653 -8.319 -5.317 1.00 15.00 N ATOM 440 CE2 TRP A 258 1.759 -8.389 -4.286 1.00 15.00 C ATOM 441 CE3 TRP A 258 1.436 -7.398 -2.108 1.00 15.00 C ATOM 442 CZ2 TRP A 258 0.614 -9.154 -4.157 1.00 15.00 C ATOM 443 CZ3 TRP A 258 0.286 -8.153 -1.989 1.00 15.00 C ATOM 444 CH2 TRP A 258 -0.109 -9.023 -3.014 1.00 15.00 C ATOM 0 H TRP A 258 3.627 -3.995 -4.512 1.00 15.00 H new ATOM 0 HA TRP A 258 2.475 -4.943 -2.168 1.00 15.00 H new ATOM 0 HB2 TRP A 258 5.030 -5.558 -3.693 1.00 15.00 H new ATOM 0 HB3 TRP A 258 4.708 -6.379 -2.178 1.00 15.00 H new ATOM 0 HD1 TRP A 258 4.459 -7.144 -5.629 1.00 15.00 H new ATOM 0 HE1 TRP A 258 2.603 -8.854 -6.184 1.00 15.00 H new ATOM 0 HE3 TRP A 258 1.746 -6.738 -1.312 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 0.305 -9.833 -4.938 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -0.316 -8.072 -1.096 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -1.011 -9.604 -2.892 1.00 15.00 H new ATOM 455 N LEU A 259 5.523 -3.807 -1.639 1.00 15.00 N ATOM 456 CA LEU A 259 6.496 -3.555 -0.594 1.00 15.00 C ATOM 457 C LEU A 259 6.941 -2.100 -0.514 1.00 15.00 C ATOM 458 O LEU A 259 6.755 -1.330 -1.462 1.00 15.00 O ATOM 459 CB LEU A 259 7.689 -4.482 -0.699 1.00 15.00 C ATOM 460 CG LEU A 259 7.642 -5.660 0.270 1.00 15.00 C ATOM 461 CD1 LEU A 259 9.000 -6.326 0.308 1.00 15.00 C ATOM 462 CD2 LEU A 259 7.239 -5.191 1.664 1.00 15.00 C ATOM 0 H LEU A 259 5.907 -3.769 -2.583 1.00 15.00 H new ATOM 0 HA LEU A 259 5.978 -3.769 0.341 1.00 15.00 H new ATOM 0 HB2 LEU A 259 7.752 -4.864 -1.718 1.00 15.00 H new ATOM 0 HB3 LEU A 259 8.599 -3.910 -0.517 1.00 15.00 H new ATOM 0 HG LEU A 259 6.896 -6.378 -0.072 1.00 15.00 H new ATOM 0 HD11 LEU A 259 8.973 -7.169 0.999 1.00 15.00 H new ATOM 0 HD12 LEU A 259 9.258 -6.682 -0.689 1.00 15.00 H new ATOM 0 HD13 LEU A 259 9.748 -5.607 0.642 1.00 15.00 H new ATOM 0 HD21 LEU A 259 7.211 -6.045 2.341 1.00 15.00 H new ATOM 0 HD22 LEU A 259 7.965 -4.464 2.027 1.00 15.00 H new ATOM 0 HD23 LEU A 259 6.253 -4.729 1.621 1.00 15.00 H new ATOM 474 N ASP A 260 7.519 -1.733 0.638 1.00 15.00 N ATOM 475 CA ASP A 260 7.704 -0.355 1.034 1.00 15.00 C ATOM 476 C ASP A 260 8.543 0.419 0.031 1.00 15.00 C ATOM 477 O ASP A 260 9.724 0.150 -0.193 1.00 15.00 O ATOM 478 CB ASP A 260 8.340 -0.292 2.432 1.00 15.00 C ATOM 479 CG ASP A 260 9.627 -1.088 2.552 1.00 15.00 C ATOM 480 OD1 ASP A 260 9.600 -2.317 2.321 1.00 15.00 O ATOM 481 OD2 ASP A 260 10.662 -0.495 2.905 1.00 15.00 O1- ATOM 0 H ASP A 260 7.871 -2.404 1.321 1.00 15.00 H new ATOM 0 HA ASP A 260 6.722 0.117 1.063 1.00 15.00 H new ATOM 0 HB2 ASP A 260 8.542 0.749 2.683 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.624 -0.663 3.165 1.00 15.00 H new ATOM 486 N PRO A 261 7.897 1.428 -0.570 1.00 15.00 N ATOM 487 CA PRO A 261 8.433 2.244 -1.641 1.00 15.00 C ATOM 488 C PRO A 261 9.322 3.311 -1.153 1.00 15.00 C ATOM 489 O PRO A 261 9.978 4.091 -1.836 1.00 15.00 O ATOM 490 CB PRO A 261 7.190 2.720 -2.388 1.00 15.00 C ATOM 491 CG PRO A 261 6.198 2.903 -1.279 1.00 15.00 C ATOM 492 CD PRO A 261 6.528 1.853 -0.243 1.00 15.00 C ATOM 0 HA PRO A 261 9.100 1.699 -2.309 1.00 15.00 H new ATOM 0 HB2 PRO A 261 7.372 3.649 -2.928 1.00 15.00 H new ATOM 0 HB3 PRO A 261 6.850 1.987 -3.120 1.00 15.00 H new ATOM 0 HG2 PRO A 261 6.268 3.905 -0.855 1.00 15.00 H new ATOM 0 HG3 PRO A 261 5.178 2.783 -1.645 1.00 15.00 H new ATOM 0 HD2 PRO A 261 6.470 2.260 0.767 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.831 1.016 -0.290 1.00 15.00 H new ATOM 500 N ARG A 262 9.205 3.275 0.050 1.00 15.00 N ATOM 501 CA ARG A 262 9.745 4.250 0.986 1.00 15.00 C ATOM 502 C ARG A 262 11.156 3.864 1.407 1.00 15.00 C ATOM 503 O ARG A 262 11.848 4.627 2.079 1.00 15.00 O ATOM 504 CB ARG A 262 8.819 4.433 2.200 1.00 15.00 C ATOM 505 CG ARG A 262 8.542 3.175 3.013 1.00 15.00 C ATOM 506 CD ARG A 262 9.635 2.897 4.034 1.00 15.00 C ATOM 507 NE ARG A 262 9.256 1.833 4.960 1.00 15.00 N ATOM 508 CZ ARG A 262 10.128 1.069 5.617 1.00 15.00 C ATOM 509 NH1 ARG A 262 11.434 1.257 5.467 1.00 15.00 N1+ ATOM 510 NH2 ARG A 262 9.690 0.126 6.438 1.00 15.00 N ATOM 0 H ARG A 262 8.697 2.525 0.519 1.00 15.00 H new ATOM 0 HA ARG A 262 9.800 5.214 0.479 1.00 15.00 H new ATOM 0 HB2 ARG A 262 9.259 5.181 2.860 1.00 15.00 H new ATOM 0 HB3 ARG A 262 7.868 4.835 1.851 1.00 15.00 H new ATOM 0 HG2 ARG A 262 7.586 3.280 3.526 1.00 15.00 H new ATOM 0 HG3 ARG A 262 8.451 2.322 2.340 1.00 15.00 H new ATOM 0 HD2 ARG A 262 10.553 2.618 3.517 1.00 15.00 H new ATOM 0 HD3 ARG A 262 9.849 3.807 4.594 1.00 15.00 H new ATOM 0 HE ARG A 262 8.262 1.664 5.113 1.00 15.00 H new ATOM 0 HH11 ARG A 262 11.776 1.990 4.846 1.00 15.00 H new ATOM 0 HH12 ARG A 262 12.095 0.668 5.973 1.00 15.00 H new ATOM 0 HH21 ARG A 262 8.688 -0.014 6.566 1.00 15.00 H new ATOM 0 HH22 ARG A 262 10.355 -0.460 6.942 1.00 15.00 H new ATOM 524 N LEU A 263 11.557 2.658 1.037 1.00 15.00 N ATOM 525 CA LEU A 263 12.906 2.194 1.289 1.00 15.00 C ATOM 526 C LEU A 263 13.818 2.704 0.176 1.00 15.00 C ATOM 527 O LEU A 263 14.537 3.697 0.406 1.00 15.00 O ATOM 528 CB LEU A 263 12.925 0.659 1.361 1.00 15.00 C ATOM 529 CG LEU A 263 14.146 0.018 2.041 1.00 15.00 C ATOM 530 CD1 LEU A 263 15.365 0.075 1.140 1.00 15.00 C ATOM 531 CD2 LEU A 263 14.431 0.696 3.373 1.00 15.00 C ATOM 532 OXT LEU A 263 13.776 2.133 -0.935 1.00 15.00 O ATOM 0 H LEU A 263 10.962 1.982 0.559 1.00 15.00 H new ATOM 0 HA LEU A 263 13.265 2.578 2.244 1.00 15.00 H new ATOM 0 HB2 LEU A 263 12.030 0.331 1.889 1.00 15.00 H new ATOM 0 HB3 LEU A 263 12.857 0.269 0.345 1.00 15.00 H new ATOM 0 HG LEU A 263 13.917 -1.031 2.228 1.00 15.00 H new ATOM 0 HD11 LEU A 263 16.213 -0.385 1.646 1.00 15.00 H new ATOM 0 HD12 LEU A 263 15.159 -0.463 0.215 1.00 15.00 H new ATOM 0 HD13 LEU A 263 15.600 1.114 0.911 1.00 15.00 H new ATOM 0 HD21 LEU A 263 15.298 0.230 3.840 1.00 15.00 H new ATOM 0 HD22 LEU A 263 14.633 1.754 3.207 1.00 15.00 H new ATOM 0 HD23 LEU A 263 13.566 0.591 4.027 1.00 15.00 H new TER 544 LEU A 263 ATOM 545 N THR B 222 1.767 -12.682 -8.248 1.00 15.00 N ATOM 546 CA THR B 222 0.458 -12.348 -7.651 1.00 15.00 C ATOM 547 C THR B 222 0.295 -10.840 -7.507 1.00 15.00 C ATOM 548 O THR B 222 1.239 -10.141 -7.133 1.00 15.00 O ATOM 549 CB THR B 222 0.290 -13.017 -6.271 1.00 15.00 C ATOM 550 OG1 THR B 222 1.523 -12.954 -5.536 1.00 15.00 O ATOM 551 CG2 THR B 222 -0.150 -14.466 -6.419 1.00 15.00 C ATOM 0 HA THR B 222 -0.312 -12.727 -8.323 1.00 15.00 H new ATOM 0 HB THR B 222 -0.482 -12.476 -5.724 1.00 15.00 H new ATOM 0 HG1 THR B 222 2.278 -12.997 -6.159 1.00 15.00 H new ATOM 0 HG21 THR B 222 -0.261 -14.915 -5.432 1.00 15.00 H new ATOM 0 HG22 THR B 222 -1.104 -14.505 -6.945 1.00 15.00 H new ATOM 0 HG23 THR B 222 0.600 -15.018 -6.986 1.00 15.00 H new ATOM 561 N PRO B 223 -0.891 -10.314 -7.841 1.00 15.00 N ATOM 562 CA PRO B 223 -1.199 -8.904 -7.658 1.00 15.00 C ATOM 563 C PRO B 223 -1.742 -8.622 -6.247 1.00 15.00 C ATOM 564 O PRO B 223 -2.359 -9.504 -5.642 1.00 15.00 O ATOM 565 CB PRO B 223 -2.279 -8.664 -8.712 1.00 15.00 C ATOM 566 CG PRO B 223 -3.005 -9.964 -8.816 1.00 15.00 C ATOM 567 CD PRO B 223 -2.017 -11.045 -8.450 1.00 15.00 C ATOM 0 HA PRO B 223 -0.327 -8.258 -7.763 1.00 15.00 H new ATOM 0 HB2 PRO B 223 -2.950 -7.859 -8.414 1.00 15.00 H new ATOM 0 HB3 PRO B 223 -1.842 -8.377 -9.668 1.00 15.00 H new ATOM 0 HG2 PRO B 223 -3.864 -9.982 -8.145 1.00 15.00 H new ATOM 0 HG3 PRO B 223 -3.386 -10.114 -9.826 1.00 15.00 H new ATOM 0 HD2 PRO B 223 -2.451 -11.761 -7.752 1.00 15.00 H new ATOM 0 HD3 PRO B 223 -1.699 -11.607 -9.328 1.00 15.00 H new ATOM 575 N PRO B 224 -1.562 -7.399 -5.694 1.00 15.00 N ATOM 576 CA PRO B 224 -2.069 -7.056 -4.375 1.00 15.00 C ATOM 577 C PRO B 224 -3.511 -6.576 -4.466 1.00 15.00 C ATOM 578 O PRO B 224 -4.071 -6.520 -5.563 1.00 15.00 O ATOM 579 CB PRO B 224 -1.119 -5.922 -3.911 1.00 15.00 C ATOM 580 CG PRO B 224 -0.370 -5.483 -5.129 1.00 15.00 C ATOM 581 CD PRO B 224 -0.957 -6.217 -6.301 1.00 15.00 C ATOM 0 HA PRO B 224 -2.084 -7.897 -3.682 1.00 15.00 H new ATOM 0 HB2 PRO B 224 -1.682 -5.094 -3.480 1.00 15.00 H new ATOM 0 HB3 PRO B 224 -0.435 -6.278 -3.140 1.00 15.00 H new ATOM 0 HG2 PRO B 224 -0.458 -4.405 -5.267 1.00 15.00 H new ATOM 0 HG3 PRO B 224 0.692 -5.706 -5.028 1.00 15.00 H new ATOM 0 HD2 PRO B 224 -1.697 -5.611 -6.824 1.00 15.00 H new ATOM 0 HD3 PRO B 224 -0.193 -6.487 -7.030 1.00 15.00 H new ATOM 589 N PRO B 225 -4.146 -6.253 -3.328 1.00 15.00 N ATOM 590 CA PRO B 225 -5.456 -5.609 -3.336 1.00 15.00 C ATOM 591 C PRO B 225 -5.451 -4.422 -4.290 1.00 15.00 C ATOM 592 O PRO B 225 -4.524 -3.624 -4.262 1.00 15.00 O ATOM 593 CB PRO B 225 -5.611 -5.134 -1.888 1.00 15.00 C ATOM 594 CG PRO B 225 -4.813 -6.101 -1.087 1.00 15.00 C ATOM 595 CD PRO B 225 -3.658 -6.511 -1.960 1.00 15.00 C ATOM 0 HA PRO B 225 -6.263 -6.264 -3.664 1.00 15.00 H new ATOM 0 HB2 PRO B 225 -5.241 -4.116 -1.763 1.00 15.00 H new ATOM 0 HB3 PRO B 225 -6.657 -5.133 -1.581 1.00 15.00 H new ATOM 0 HG2 PRO B 225 -4.460 -5.644 -0.163 1.00 15.00 H new ATOM 0 HG3 PRO B 225 -5.415 -6.965 -0.806 1.00 15.00 H new ATOM 0 HD2 PRO B 225 -2.762 -5.931 -1.738 1.00 15.00 H new ATOM 0 HD3 PRO B 225 -3.401 -7.561 -1.818 1.00 15.00 H new ATOM 603 N ALA B 226 -6.461 -4.320 -5.150 1.00 15.00 N ATOM 604 CA ALA B 226 -6.538 -3.224 -6.120 1.00 15.00 C ATOM 605 C ALA B 226 -6.473 -1.866 -5.422 1.00 15.00 C ATOM 606 O ALA B 226 -6.409 -1.795 -4.195 1.00 15.00 O ATOM 607 CB ALA B 226 -7.814 -3.337 -6.938 1.00 15.00 C ATOM 0 H ALA B 226 -7.237 -4.980 -5.197 1.00 15.00 H new ATOM 0 HA ALA B 226 -5.680 -3.301 -6.789 1.00 15.00 H new ATOM 0 HB1 ALA B 226 -7.860 -2.517 -7.655 1.00 15.00 H new ATOM 0 HB2 ALA B 226 -7.821 -4.287 -7.472 1.00 15.00 H new ATOM 0 HB3 ALA B 226 -8.677 -3.287 -6.274 1.00 15.00 H new ATOM 613 N TYR B 227 -6.507 -0.781 -6.178 1.00 15.00 N ATOM 614 CA TYR B 227 -6.451 0.523 -5.547 1.00 15.00 C ATOM 615 C TYR B 227 -7.752 0.777 -4.788 1.00 15.00 C ATOM 616 O TYR B 227 -8.860 0.699 -5.328 1.00 15.00 O ATOM 617 CB TYR B 227 -6.108 1.639 -6.545 1.00 15.00 C ATOM 618 CG TYR B 227 -6.600 2.991 -6.096 1.00 15.00 C ATOM 619 CD1 TYR B 227 -6.130 3.549 -4.916 1.00 15.00 C ATOM 620 CD2 TYR B 227 -7.544 3.693 -6.827 1.00 15.00 C ATOM 621 CE1 TYR B 227 -6.586 4.769 -4.476 1.00 15.00 C ATOM 622 CE2 TYR B 227 -8.003 4.922 -6.399 1.00 15.00 C ATOM 623 CZ TYR B 227 -7.521 5.456 -5.223 1.00 15.00 C ATOM 624 OH TYR B 227 -7.984 6.675 -4.788 1.00 15.00 O ATOM 0 H TYR B 227 -6.571 -0.775 -7.196 1.00 15.00 H new ATOM 0 HA TYR B 227 -5.633 0.531 -4.826 1.00 15.00 H new ATOM 0 HB2 TYR B 227 -5.028 1.678 -6.684 1.00 15.00 H new ATOM 0 HB3 TYR B 227 -6.546 1.401 -7.515 1.00 15.00 H new ATOM 0 HD1 TYR B 227 -5.393 3.016 -4.333 1.00 15.00 H new ATOM 0 HD2 TYR B 227 -7.926 3.272 -7.745 1.00 15.00 H new ATOM 0 HE1 TYR B 227 -6.215 5.187 -3.552 1.00 15.00 H new ATOM 0 HE2 TYR B 227 -8.735 5.462 -6.981 1.00 15.00 H new ATOM 0 HH TYR B 227 -8.101 6.652 -3.815 1.00 15.00 H new ATOM 634 N LEU B 228 -7.554 1.110 -3.529 1.00 15.00 N ATOM 635 CA LEU B 228 -8.509 0.903 -2.461 1.00 15.00 C ATOM 636 C LEU B 228 -8.332 1.980 -1.398 1.00 15.00 C ATOM 637 O LEU B 228 -7.252 2.555 -1.296 1.00 15.00 O ATOM 638 CB LEU B 228 -8.340 -0.484 -1.823 1.00 15.00 C ATOM 639 CG LEU B 228 -8.911 -1.656 -2.627 1.00 15.00 C ATOM 640 CD1 LEU B 228 -8.693 -2.966 -1.881 1.00 15.00 C ATOM 641 CD2 LEU B 228 -10.390 -1.437 -2.918 1.00 15.00 C ATOM 0 H LEU B 228 -6.690 1.549 -3.210 1.00 15.00 H new ATOM 0 HA LEU B 228 -9.511 0.963 -2.886 1.00 15.00 H new ATOM 0 HB2 LEU B 228 -7.277 -0.662 -1.660 1.00 15.00 H new ATOM 0 HB3 LEU B 228 -8.816 -0.473 -0.842 1.00 15.00 H new ATOM 0 HG LEU B 228 -8.385 -1.713 -3.580 1.00 15.00 H new ATOM 0 HD11 LEU B 228 -9.104 -3.790 -2.465 1.00 15.00 H new ATOM 0 HD12 LEU B 228 -7.625 -3.125 -1.730 1.00 15.00 H new ATOM 0 HD13 LEU B 228 -9.193 -2.922 -0.914 1.00 15.00 H new ATOM 0 HD21 LEU B 228 -10.777 -2.280 -3.490 1.00 15.00 H new ATOM 0 HD22 LEU B 228 -10.937 -1.354 -1.979 1.00 15.00 H new ATOM 0 HD23 LEU B 228 -10.516 -0.520 -3.494 1.00 15.00 H new ATOM 653 N PRO B 229 -9.372 2.350 -0.642 1.00 15.00 N ATOM 654 CA PRO B 229 -9.147 3.168 0.537 1.00 15.00 C ATOM 655 C PRO B 229 -8.854 2.234 1.704 1.00 15.00 C ATOM 656 O PRO B 229 -9.407 1.134 1.787 1.00 15.00 O ATOM 657 CB PRO B 229 -10.493 3.882 0.751 1.00 15.00 C ATOM 658 CG PRO B 229 -11.387 3.426 -0.358 1.00 15.00 C ATOM 659 CD PRO B 229 -10.805 2.141 -0.880 1.00 15.00 C ATOM 0 HA PRO B 229 -8.320 3.872 0.445 1.00 15.00 H new ATOM 0 HB2 PRO B 229 -10.918 3.629 1.723 1.00 15.00 H new ATOM 0 HB3 PRO B 229 -10.367 4.965 0.730 1.00 15.00 H new ATOM 0 HG2 PRO B 229 -12.404 3.272 0.003 1.00 15.00 H new ATOM 0 HG3 PRO B 229 -11.439 4.176 -1.147 1.00 15.00 H new ATOM 0 HD2 PRO B 229 -11.187 1.271 -0.346 1.00 15.00 H new ATOM 0 HD3 PRO B 229 -11.027 1.989 -1.936 1.00 15.00 H new ATOM 667 N PRO B 230 -8.005 2.672 2.641 1.00 15.00 N ATOM 668 CA PRO B 230 -7.071 1.791 3.335 1.00 15.00 C ATOM 669 C PRO B 230 -7.615 1.147 4.597 1.00 15.00 C ATOM 670 O PRO B 230 -8.445 1.712 5.313 1.00 15.00 O ATOM 671 CB PRO B 230 -5.916 2.739 3.697 1.00 15.00 C ATOM 672 CG PRO B 230 -6.375 4.131 3.357 1.00 15.00 C ATOM 673 CD PRO B 230 -7.853 4.051 3.094 1.00 15.00 C ATOM 0 HA PRO B 230 -6.807 0.942 2.704 1.00 15.00 H new ATOM 0 HB2 PRO B 230 -5.669 2.661 4.756 1.00 15.00 H new ATOM 0 HB3 PRO B 230 -5.015 2.482 3.140 1.00 15.00 H new ATOM 0 HG2 PRO B 230 -6.165 4.818 4.177 1.00 15.00 H new ATOM 0 HG3 PRO B 230 -5.847 4.509 2.482 1.00 15.00 H new ATOM 0 HD2 PRO B 230 -8.439 4.253 3.991 1.00 15.00 H new ATOM 0 HD3 PRO B 230 -8.172 4.767 2.337 1.00 15.00 H new ATOM 681 N GLU B 231 -7.090 -0.040 4.866 1.00 15.00 N ATOM 682 CA GLU B 231 -7.637 -0.916 5.889 1.00 15.00 C ATOM 683 C GLU B 231 -6.894 -0.748 7.205 1.00 15.00 C ATOM 684 O GLU B 231 -5.703 -0.442 7.232 1.00 15.00 O ATOM 685 CB GLU B 231 -7.654 -2.377 5.418 1.00 15.00 C ATOM 686 CG GLU B 231 -6.466 -2.799 4.612 1.00 15.00 C ATOM 687 CD GLU B 231 -6.712 -4.101 3.877 1.00 15.00 C ATOM 688 OE1 GLU B 231 -7.230 -4.062 2.743 1.00 15.00 O ATOM 689 OE2 GLU B 231 -6.404 -5.177 4.438 1.00 15.00 O1- ATOM 0 H GLU B 231 -6.276 -0.421 4.383 1.00 15.00 H new ATOM 0 HA GLU B 231 -8.673 -0.626 6.065 1.00 15.00 H new ATOM 0 HB2 GLU B 231 -7.728 -3.023 6.293 1.00 15.00 H new ATOM 0 HB3 GLU B 231 -8.553 -2.540 4.824 1.00 15.00 H new ATOM 0 HG2 GLU B 231 -6.220 -2.018 3.893 1.00 15.00 H new ATOM 0 HG3 GLU B 231 -5.603 -2.911 5.269 1.00 15.00 H new ATOM 696 N ASP B 232 -7.618 -0.976 8.287 1.00 15.00 N ATOM 697 CA ASP B 232 -7.200 -0.529 9.615 1.00 15.00 C ATOM 698 C ASP B 232 -6.405 -1.553 10.464 1.00 15.00 C ATOM 699 O ASP B 232 -5.877 -1.150 11.502 1.00 15.00 O ATOM 700 CB ASP B 232 -8.426 -0.082 10.415 1.00 15.00 C ATOM 701 CG ASP B 232 -9.259 0.951 9.682 1.00 15.00 C ATOM 702 OD1 ASP B 232 -8.999 2.162 9.841 1.00 15.00 O1- ATOM 703 OD2 ASP B 232 -10.186 0.556 8.945 1.00 15.00 O ATOM 0 H ASP B 232 -8.509 -1.473 8.276 1.00 15.00 H new ATOM 0 HA ASP B 232 -6.505 0.288 9.418 1.00 15.00 H new ATOM 0 HB2 ASP B 232 -9.046 -0.951 10.638 1.00 15.00 H new ATOM 0 HB3 ASP B 232 -8.101 0.331 11.370 1.00 15.00 H new ATOM 708 N PRO B 233 -6.318 -2.871 10.124 1.00 15.00 N ATOM 709 CA PRO B 233 -5.537 -3.816 10.940 1.00 15.00 C ATOM 710 C PRO B 233 -4.050 -3.462 10.982 1.00 15.00 C ATOM 711 O PRO B 233 -3.617 -2.798 11.949 1.00 15.00 O ATOM 712 CB PRO B 233 -5.742 -5.171 10.249 1.00 15.00 C ATOM 713 CG PRO B 233 -6.958 -4.997 9.410 1.00 15.00 C ATOM 714 CD PRO B 233 -6.955 -3.560 8.985 1.00 15.00 C ATOM 715 OXT PRO B 233 -3.319 -3.854 10.052 1.00 15.00 O ATOM 0 HA PRO B 233 -5.865 -3.806 11.979 1.00 15.00 H new ATOM 0 HB2 PRO B 233 -4.878 -5.438 9.641 1.00 15.00 H new ATOM 0 HB3 PRO B 233 -5.877 -5.969 10.979 1.00 15.00 H new ATOM 0 HG2 PRO B 233 -6.936 -5.661 8.546 1.00 15.00 H new ATOM 0 HG3 PRO B 233 -7.860 -5.237 9.973 1.00 15.00 H new ATOM 0 HD2 PRO B 233 -6.394 -3.415 8.062 1.00 15.00 H new ATOM 0 HD3 PRO B 233 -7.965 -3.191 8.806 1.00 15.00 H new TER 723 PRO B 233