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 : no HD1:sc= -1.62! K(o=-2.8!,f=-1.6) USER MOD Set 1.2: B 227 TYR OH : rot 180:sc= -1.22 USER MOD Set 2.1: A 250 ASN : amide:sc= -0.961 K(o=-2.2,f=-11!) USER MOD Set 2.2: A 253 ASN : amide:sc= -1.2 K(o=-2.2,f=-0.96) USER MOD Set 3.1: A 238 GLN : amide:sc= -0.323 K(o=0.86,f=-0.11) USER MOD Set 3.2: A 248 TYR OH : rot -64:sc= 1.18 USER MOD Single : A 240 MET CE :methyl -158:sc= -0.245 (180deg=-0.984) USER MOD Single : A 241 THR OG1 : rot 176:sc= -0.247 USER MOD Single : A 242 GLN : amide:sc= -0.683 K(o=-0.68,f=-5.1!) USER MOD Single : A 247 TYR OH : rot 110:sc= -2.46! USER MOD Single : A 252 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00132) USER MOD Single : A 254 LYS NZ :NH3+ -167:sc=-0.00899 (180deg=-0.171) USER MOD Single : A 255 THR OG1 : rot 180:sc= -0.425 USER MOD Single : A 256 THR OG1 : rot 100:sc= -0.341 USER MOD Single : A 257 SER OG : rot 180:sc= 0 USER MOD Single : B 222 THR OG1 : rot -28:sc= 0.253 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 230 6.801 4.417 9.851 1.00 15.00 N ATOM 2 CA GLY A 230 7.083 4.335 8.399 1.00 15.00 C ATOM 3 C GLY A 230 6.847 5.663 7.715 1.00 15.00 C ATOM 4 O GLY A 230 5.767 6.234 7.842 1.00 15.00 O ATOM 0 HA2 GLY A 230 8.116 4.023 8.245 1.00 15.00 H new ATOM 0 HA3 GLY A 230 6.449 3.573 7.946 1.00 15.00 H new ATOM 8 N PRO A 231 7.839 6.189 6.983 1.00 15.00 N ATOM 9 CA PRO A 231 7.771 7.474 6.334 1.00 15.00 C ATOM 10 C PRO A 231 7.527 7.294 4.845 1.00 15.00 C ATOM 11 O PRO A 231 8.440 6.934 4.099 1.00 15.00 O ATOM 12 CB PRO A 231 9.184 8.022 6.593 1.00 15.00 C ATOM 13 CG PRO A 231 10.037 6.803 6.881 1.00 15.00 C ATOM 14 CD PRO A 231 9.139 5.602 6.687 1.00 15.00 C ATOM 0 HA PRO A 231 6.972 8.123 6.692 1.00 15.00 H new ATOM 0 HB2 PRO A 231 9.559 8.569 5.728 1.00 15.00 H new ATOM 0 HB3 PRO A 231 9.190 8.714 7.435 1.00 15.00 H new ATOM 0 HG2 PRO A 231 10.894 6.760 6.209 1.00 15.00 H new ATOM 0 HG3 PRO A 231 10.430 6.835 7.897 1.00 15.00 H new ATOM 0 HD2 PRO A 231 9.193 5.204 5.674 1.00 15.00 H new ATOM 0 HD3 PRO A 231 9.388 4.785 7.364 1.00 15.00 H new ATOM 22 N LEU A 232 6.297 7.477 4.403 1.00 15.00 N ATOM 23 CA LEU A 232 5.980 7.107 3.040 1.00 15.00 C ATOM 24 C LEU A 232 6.424 8.184 2.080 1.00 15.00 C ATOM 25 O LEU A 232 6.612 9.336 2.471 1.00 15.00 O ATOM 26 CB LEU A 232 4.502 6.773 2.792 1.00 15.00 C ATOM 27 CG LEU A 232 3.908 5.628 3.622 1.00 15.00 C ATOM 28 CD1 LEU A 232 4.969 4.885 4.427 1.00 15.00 C ATOM 29 CD2 LEU A 232 2.824 6.131 4.544 1.00 15.00 C ATOM 0 H LEU A 232 5.526 7.866 4.947 1.00 15.00 H new ATOM 0 HA LEU A 232 6.532 6.184 2.863 1.00 15.00 H new ATOM 0 HB2 LEU A 232 3.914 7.671 2.980 1.00 15.00 H new ATOM 0 HB3 LEU A 232 4.381 6.528 1.737 1.00 15.00 H new ATOM 0 HG LEU A 232 3.475 4.924 2.912 1.00 15.00 H new ATOM 0 HD11 LEU A 232 4.498 4.084 4.997 1.00 15.00 H new ATOM 0 HD12 LEU A 232 5.709 4.461 3.749 1.00 15.00 H new ATOM 0 HD13 LEU A 232 5.459 5.578 5.111 1.00 15.00 H new ATOM 0 HD21 LEU A 232 2.421 5.298 5.120 1.00 15.00 H new ATOM 0 HD22 LEU A 232 3.240 6.874 5.224 1.00 15.00 H new ATOM 0 HD23 LEU A 232 2.027 6.584 3.955 1.00 15.00 H new ATOM 41 N PRO A 233 6.574 7.826 0.802 1.00 15.00 N ATOM 42 CA PRO A 233 7.085 8.743 -0.207 1.00 15.00 C ATOM 43 C PRO A 233 6.199 9.979 -0.342 1.00 15.00 C ATOM 44 O PRO A 233 6.676 11.113 -0.333 1.00 15.00 O ATOM 45 CB PRO A 233 7.027 7.917 -1.484 1.00 15.00 C ATOM 46 CG PRO A 233 6.983 6.482 -1.047 1.00 15.00 C ATOM 47 CD PRO A 233 6.217 6.509 0.229 1.00 15.00 C ATOM 0 HA PRO A 233 8.081 9.116 0.034 1.00 15.00 H new ATOM 0 HB2 PRO A 233 6.147 8.172 -2.074 1.00 15.00 H new ATOM 0 HB3 PRO A 233 7.898 8.107 -2.112 1.00 15.00 H new ATOM 0 HG2 PRO A 233 6.493 5.854 -1.792 1.00 15.00 H new ATOM 0 HG3 PRO A 233 7.985 6.080 -0.901 1.00 15.00 H new ATOM 0 HD2 PRO A 233 5.144 6.420 0.058 1.00 15.00 H new ATOM 0 HD3 PRO A 233 6.503 5.690 0.889 1.00 15.00 H new ATOM 55 N ASP A 234 4.902 9.734 -0.468 1.00 15.00 N ATOM 56 CA ASP A 234 3.907 10.798 -0.555 1.00 15.00 C ATOM 57 C ASP A 234 3.114 10.874 0.739 1.00 15.00 C ATOM 58 O ASP A 234 2.324 11.792 0.947 1.00 15.00 O ATOM 59 CB ASP A 234 2.929 10.551 -1.710 1.00 15.00 C ATOM 60 CG ASP A 234 3.607 10.413 -3.056 1.00 15.00 C ATOM 61 OD1 ASP A 234 4.156 9.328 -3.338 1.00 15.00 O1- ATOM 62 OD2 ASP A 234 3.570 11.380 -3.846 1.00 15.00 O ATOM 0 H ASP A 234 4.509 8.794 -0.513 1.00 15.00 H new ATOM 0 HA ASP A 234 4.439 11.733 -0.731 1.00 15.00 H new ATOM 0 HB2 ASP A 234 2.358 9.645 -1.505 1.00 15.00 H new ATOM 0 HB3 ASP A 234 2.216 11.374 -1.754 1.00 15.00 H new ATOM 67 N GLY A 235 3.310 9.879 1.593 1.00 15.00 N ATOM 68 CA GLY A 235 2.469 9.730 2.762 1.00 15.00 C ATOM 69 C GLY A 235 1.259 8.884 2.441 1.00 15.00 C ATOM 70 O GLY A 235 0.121 9.320 2.612 1.00 15.00 O ATOM 0 H GLY A 235 4.038 9.171 1.496 1.00 15.00 H new ATOM 0 HA2 GLY A 235 3.038 9.269 3.570 1.00 15.00 H new ATOM 0 HA3 GLY A 235 2.151 10.711 3.115 1.00 15.00 H new ATOM 74 N TRP A 236 1.508 7.677 1.943 1.00 15.00 N ATOM 75 CA TRP A 236 0.440 6.799 1.500 1.00 15.00 C ATOM 76 C TRP A 236 0.528 5.421 2.140 1.00 15.00 C ATOM 77 O TRP A 236 1.609 4.888 2.315 1.00 15.00 O ATOM 78 CB TRP A 236 0.408 6.719 -0.009 1.00 15.00 C ATOM 79 CG TRP A 236 1.700 6.419 -0.732 1.00 15.00 C ATOM 80 CD1 TRP A 236 2.817 7.211 -0.908 1.00 15.00 C ATOM 81 CD2 TRP A 236 1.966 5.230 -1.476 1.00 15.00 C ATOM 82 NE1 TRP A 236 3.646 6.618 -1.798 1.00 15.00 N ATOM 83 CE2 TRP A 236 3.180 5.397 -2.125 1.00 15.00 C ATOM 84 CE3 TRP A 236 1.291 4.054 -1.676 1.00 15.00 C ATOM 85 CZ2 TRP A 236 3.723 4.432 -2.960 1.00 15.00 C ATOM 86 CZ3 TRP A 236 1.857 3.109 -2.512 1.00 15.00 C ATOM 87 CH2 TRP A 236 3.047 3.298 -3.133 1.00 15.00 C ATOM 0 H TRP A 236 2.445 7.287 1.837 1.00 15.00 H new ATOM 0 HA TRP A 236 -0.504 7.231 1.833 1.00 15.00 H new ATOM 0 HB2 TRP A 236 -0.316 5.953 -0.287 1.00 15.00 H new ATOM 0 HB3 TRP A 236 0.028 7.669 -0.386 1.00 15.00 H new ATOM 0 HD1 TRP A 236 3.000 8.154 -0.414 1.00 15.00 H new ATOM 0 HE1 TRP A 236 4.500 7.035 -2.168 1.00 15.00 H new ATOM 0 HE3 TRP A 236 0.342 3.870 -1.194 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 4.668 4.596 -3.456 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 1.329 2.182 -2.677 1.00 15.00 H new ATOM 0 HH2 TRP A 236 3.449 2.525 -3.771 1.00 15.00 H new ATOM 98 N GLU A 237 -0.610 4.775 2.322 1.00 15.00 N ATOM 99 CA GLU A 237 -0.804 3.901 3.469 1.00 15.00 C ATOM 100 C GLU A 237 -0.367 2.479 3.224 1.00 15.00 C ATOM 101 O GLU A 237 -0.542 1.903 2.148 1.00 15.00 O ATOM 102 CB GLU A 237 -2.285 3.919 3.854 1.00 15.00 C ATOM 103 CG GLU A 237 -2.698 2.985 4.987 1.00 15.00 C ATOM 104 CD GLU A 237 -2.070 3.375 6.310 1.00 15.00 C ATOM 105 OE1 GLU A 237 -0.900 3.020 6.554 1.00 15.00 O1- ATOM 106 OE2 GLU A 237 -2.741 4.067 7.105 1.00 15.00 O ATOM 0 H GLU A 237 -1.412 4.837 1.694 1.00 15.00 H new ATOM 0 HA GLU A 237 -0.177 4.282 4.275 1.00 15.00 H new ATOM 0 HB2 GLU A 237 -2.554 4.937 4.135 1.00 15.00 H new ATOM 0 HB3 GLU A 237 -2.872 3.666 2.971 1.00 15.00 H new ATOM 0 HG2 GLU A 237 -3.783 2.994 5.086 1.00 15.00 H new ATOM 0 HG3 GLU A 237 -2.409 1.964 4.737 1.00 15.00 H new ATOM 113 N GLN A 238 0.167 1.940 4.303 1.00 15.00 N ATOM 114 CA GLN A 238 0.735 0.606 4.353 1.00 15.00 C ATOM 115 C GLN A 238 -0.116 -0.256 5.262 1.00 15.00 C ATOM 116 O GLN A 238 -0.260 0.029 6.453 1.00 15.00 O ATOM 117 CB GLN A 238 2.171 0.644 4.880 1.00 15.00 C ATOM 118 CG GLN A 238 2.764 -0.730 5.141 1.00 15.00 C ATOM 119 CD GLN A 238 3.907 -0.675 6.130 1.00 15.00 C ATOM 120 OE1 GLN A 238 4.619 0.322 6.222 1.00 15.00 O ATOM 121 NE2 GLN A 238 4.080 -1.739 6.893 1.00 15.00 N ATOM 0 H GLN A 238 0.219 2.432 5.195 1.00 15.00 H new ATOM 0 HA GLN A 238 0.752 0.191 3.345 1.00 15.00 H new ATOM 0 HB2 GLN A 238 2.799 1.170 4.160 1.00 15.00 H new ATOM 0 HB3 GLN A 238 2.194 1.221 5.804 1.00 15.00 H new ATOM 0 HG2 GLN A 238 1.987 -1.394 5.521 1.00 15.00 H new ATOM 0 HG3 GLN A 238 3.117 -1.157 4.202 1.00 15.00 H new ATOM 0 HE21 GLN A 238 3.468 -2.548 6.787 1.00 15.00 H new ATOM 0 HE22 GLN A 238 4.826 -1.752 7.589 1.00 15.00 H new ATOM 130 N ALA A 239 -0.674 -1.309 4.713 1.00 15.00 N ATOM 131 CA ALA A 239 -1.609 -2.117 5.456 1.00 15.00 C ATOM 132 C ALA A 239 -1.166 -3.563 5.554 1.00 15.00 C ATOM 133 O ALA A 239 -0.490 -4.083 4.664 1.00 15.00 O ATOM 134 CB ALA A 239 -2.975 -2.021 4.835 1.00 15.00 C ATOM 0 H ALA A 239 -0.498 -1.624 3.759 1.00 15.00 H new ATOM 0 HA ALA A 239 -1.647 -1.728 6.474 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -3.676 -2.634 5.401 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -3.308 -0.983 4.847 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.932 -2.376 3.805 1.00 15.00 H new ATOM 140 N MET A 240 -1.557 -4.203 6.642 1.00 15.00 N ATOM 141 CA MET A 240 -1.173 -5.576 6.911 1.00 15.00 C ATOM 142 C MET A 240 -2.191 -6.543 6.319 1.00 15.00 C ATOM 143 O MET A 240 -3.337 -6.590 6.756 1.00 15.00 O ATOM 144 CB MET A 240 -1.077 -5.816 8.419 1.00 15.00 C ATOM 145 CG MET A 240 -0.156 -4.851 9.150 1.00 15.00 C ATOM 146 SD MET A 240 1.566 -5.013 8.651 1.00 15.00 S ATOM 147 CE MET A 240 1.861 -6.739 9.032 1.00 15.00 C ATOM 0 H MET A 240 -2.148 -3.786 7.361 1.00 15.00 H new ATOM 0 HA MET A 240 -0.200 -5.749 6.451 1.00 15.00 H new ATOM 0 HB2 MET A 240 -2.075 -5.744 8.851 1.00 15.00 H new ATOM 0 HB3 MET A 240 -0.728 -6.834 8.591 1.00 15.00 H new ATOM 0 HG2 MET A 240 -0.488 -3.829 8.965 1.00 15.00 H new ATOM 0 HG3 MET A 240 -0.236 -5.023 10.223 1.00 15.00 H new ATOM 0 HE1 MET A 240 2.931 -6.906 9.158 1.00 15.00 H new ATOM 0 HE2 MET A 240 1.342 -7.002 9.954 1.00 15.00 H new ATOM 0 HE3 MET A 240 1.490 -7.360 8.217 1.00 15.00 H new ATOM 157 N THR A 241 -1.775 -7.293 5.315 1.00 15.00 N ATOM 158 CA THR A 241 -2.626 -8.315 4.739 1.00 15.00 C ATOM 159 C THR A 241 -2.390 -9.620 5.476 1.00 15.00 C ATOM 160 O THR A 241 -1.249 -9.930 5.836 1.00 15.00 O ATOM 161 CB THR A 241 -2.352 -8.536 3.230 1.00 15.00 C ATOM 162 OG1 THR A 241 -1.270 -9.459 3.050 1.00 15.00 O ATOM 163 CG2 THR A 241 -1.994 -7.231 2.546 1.00 15.00 C ATOM 0 H THR A 241 -0.854 -7.213 4.883 1.00 15.00 H new ATOM 0 HA THR A 241 -3.659 -7.981 4.841 1.00 15.00 H new ATOM 0 HB THR A 241 -3.263 -8.938 2.786 1.00 15.00 H new ATOM 0 HG1 THR A 241 -1.150 -9.640 2.094 1.00 15.00 H new ATOM 0 HG21 THR A 241 -1.807 -7.414 1.488 1.00 15.00 H new ATOM 0 HG22 THR A 241 -2.819 -6.527 2.652 1.00 15.00 H new ATOM 0 HG23 THR A 241 -1.099 -6.813 3.006 1.00 15.00 H new ATOM 171 N GLN A 242 -3.463 -10.373 5.683 1.00 15.00 N ATOM 172 CA GLN A 242 -3.405 -11.656 6.380 1.00 15.00 C ATOM 173 C GLN A 242 -2.584 -12.648 5.570 1.00 15.00 C ATOM 174 O GLN A 242 -2.061 -13.632 6.092 1.00 15.00 O ATOM 175 CB GLN A 242 -4.816 -12.196 6.569 1.00 15.00 C ATOM 176 CG GLN A 242 -5.767 -11.203 7.228 1.00 15.00 C ATOM 177 CD GLN A 242 -5.451 -10.943 8.693 1.00 15.00 C ATOM 178 OE1 GLN A 242 -4.307 -11.055 9.137 1.00 15.00 O ATOM 179 NE2 GLN A 242 -6.470 -10.574 9.452 1.00 15.00 N ATOM 0 H GLN A 242 -4.399 -10.113 5.373 1.00 15.00 H new ATOM 0 HA GLN A 242 -2.936 -11.514 7.354 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -5.219 -12.483 5.598 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -4.772 -13.101 7.175 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -5.730 -10.260 6.683 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -6.787 -11.579 7.145 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -7.403 -10.492 9.048 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -6.322 -10.371 10.441 1.00 15.00 H new ATOM 188 N ASP A 243 -2.531 -12.386 4.275 1.00 15.00 N ATOM 189 CA ASP A 243 -1.667 -13.117 3.347 1.00 15.00 C ATOM 190 C ASP A 243 -0.197 -12.909 3.710 1.00 15.00 C ATOM 191 O ASP A 243 0.685 -13.649 3.277 1.00 15.00 O ATOM 192 CB ASP A 243 -1.913 -12.610 1.935 1.00 15.00 C ATOM 193 CG ASP A 243 -1.233 -13.447 0.873 1.00 15.00 C ATOM 194 OD1 ASP A 243 -1.843 -14.438 0.418 1.00 15.00 O ATOM 195 OD2 ASP A 243 -0.101 -13.110 0.472 1.00 15.00 O1- ATOM 0 H ASP A 243 -3.088 -11.657 3.829 1.00 15.00 H new ATOM 0 HA ASP A 243 -1.897 -14.181 3.410 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -2.986 -12.594 1.744 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -1.560 -11.582 1.859 1.00 15.00 H new ATOM 200 N GLY A 244 0.035 -11.883 4.509 1.00 15.00 N ATOM 201 CA GLY A 244 1.368 -11.555 4.967 1.00 15.00 C ATOM 202 C GLY A 244 2.078 -10.584 4.047 1.00 15.00 C ATOM 203 O GLY A 244 3.203 -10.836 3.615 1.00 15.00 O ATOM 0 H GLY A 244 -0.693 -11.258 4.856 1.00 15.00 H new ATOM 0 HA2 GLY A 244 1.309 -11.125 5.967 1.00 15.00 H new ATOM 0 HA3 GLY A 244 1.956 -12.469 5.047 1.00 15.00 H new ATOM 207 N GLU A 245 1.423 -9.464 3.758 1.00 15.00 N ATOM 208 CA GLU A 245 2.027 -8.403 2.950 1.00 15.00 C ATOM 209 C GLU A 245 1.779 -7.051 3.596 1.00 15.00 C ATOM 210 O GLU A 245 0.758 -6.851 4.242 1.00 15.00 O ATOM 211 CB GLU A 245 1.444 -8.388 1.532 1.00 15.00 C ATOM 212 CG GLU A 245 1.838 -9.585 0.683 1.00 15.00 C ATOM 213 CD GLU A 245 3.326 -9.639 0.395 1.00 15.00 C ATOM 214 OE1 GLU A 245 3.970 -8.569 0.348 1.00 15.00 O ATOM 215 OE2 GLU A 245 3.859 -10.755 0.206 1.00 15.00 O1- ATOM 0 H GLU A 245 0.473 -9.265 4.070 1.00 15.00 H new ATOM 0 HA GLU A 245 3.098 -8.599 2.891 1.00 15.00 H new ATOM 0 HB2 GLU A 245 0.357 -8.346 1.599 1.00 15.00 H new ATOM 0 HB3 GLU A 245 1.767 -7.477 1.028 1.00 15.00 H new ATOM 0 HG2 GLU A 245 1.538 -10.500 1.193 1.00 15.00 H new ATOM 0 HG3 GLU A 245 1.291 -9.551 -0.259 1.00 15.00 H new ATOM 222 N ILE A 246 2.700 -6.124 3.416 1.00 15.00 N ATOM 223 CA ILE A 246 2.487 -4.762 3.869 1.00 15.00 C ATOM 224 C ILE A 246 2.338 -3.848 2.653 1.00 15.00 C ATOM 225 O ILE A 246 3.315 -3.351 2.103 1.00 15.00 O ATOM 226 CB ILE A 246 3.619 -4.279 4.820 1.00 15.00 C ATOM 227 CG1 ILE A 246 4.984 -4.235 4.119 1.00 15.00 C ATOM 228 CG2 ILE A 246 3.693 -5.190 6.037 1.00 15.00 C ATOM 229 CD1 ILE A 246 6.125 -3.824 5.026 1.00 15.00 C ATOM 0 H ILE A 246 3.599 -6.287 2.962 1.00 15.00 H new ATOM 0 HA ILE A 246 1.569 -4.726 4.455 1.00 15.00 H new ATOM 0 HB ILE A 246 3.377 -3.263 5.130 1.00 15.00 H new ATOM 0 HG12 ILE A 246 5.200 -5.219 3.703 1.00 15.00 H new ATOM 0 HG13 ILE A 246 4.929 -3.539 3.282 1.00 15.00 H new ATOM 0 HG21 ILE A 246 4.487 -4.848 6.700 1.00 15.00 H new ATOM 0 HG22 ILE A 246 2.741 -5.166 6.568 1.00 15.00 H new ATOM 0 HG23 ILE A 246 3.903 -6.210 5.716 1.00 15.00 H new ATOM 0 HD11 ILE A 246 7.056 -3.816 4.459 1.00 15.00 H new ATOM 0 HD12 ILE A 246 5.933 -2.827 5.423 1.00 15.00 H new ATOM 0 HD13 ILE A 246 6.208 -4.533 5.850 1.00 15.00 H new ATOM 241 N TYR A 247 1.098 -3.611 2.241 1.00 15.00 N ATOM 242 CA TYR A 247 0.851 -3.027 0.930 1.00 15.00 C ATOM 243 C TYR A 247 0.833 -1.508 1.013 1.00 15.00 C ATOM 244 O TYR A 247 0.464 -0.936 2.032 1.00 15.00 O ATOM 245 CB TYR A 247 -0.472 -3.567 0.309 1.00 15.00 C ATOM 246 CG TYR A 247 -1.769 -2.901 0.778 1.00 15.00 C ATOM 247 CD1 TYR A 247 -1.982 -1.539 0.600 1.00 15.00 C ATOM 248 CD2 TYR A 247 -2.786 -3.640 1.381 1.00 15.00 C ATOM 249 CE1 TYR A 247 -3.135 -0.927 1.005 1.00 15.00 C ATOM 250 CE2 TYR A 247 -3.966 -3.029 1.801 1.00 15.00 C ATOM 251 CZ TYR A 247 -4.129 -1.665 1.610 1.00 15.00 C ATOM 252 OH TYR A 247 -5.293 -1.042 2.001 1.00 15.00 O ATOM 0 H TYR A 247 0.260 -3.811 2.787 1.00 15.00 H new ATOM 0 HA TYR A 247 1.668 -3.324 0.273 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -0.408 -3.463 -0.774 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -0.539 -4.634 0.524 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -1.213 -0.946 0.127 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -2.657 -4.703 1.525 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -3.267 0.134 0.851 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.745 -3.611 2.270 1.00 15.00 H new ATOM 0 HH TYR A 247 -6.030 -1.334 1.425 1.00 15.00 H new ATOM 262 N TYR A 248 1.230 -0.884 -0.080 1.00 15.00 N ATOM 263 CA TYR A 248 1.229 0.561 -0.234 1.00 15.00 C ATOM 264 C TYR A 248 0.239 0.978 -1.311 1.00 15.00 C ATOM 265 O TYR A 248 0.377 0.600 -2.472 1.00 15.00 O ATOM 266 CB TYR A 248 2.643 1.018 -0.533 1.00 15.00 C ATOM 267 CG TYR A 248 3.458 1.200 0.721 1.00 15.00 C ATOM 268 CD1 TYR A 248 4.097 0.121 1.321 1.00 15.00 C ATOM 269 CD2 TYR A 248 3.609 2.462 1.298 1.00 15.00 C ATOM 270 CE1 TYR A 248 4.855 0.294 2.459 1.00 15.00 C ATOM 271 CE2 TYR A 248 4.369 2.633 2.419 1.00 15.00 C ATOM 272 CZ TYR A 248 4.991 1.552 3.004 1.00 15.00 C ATOM 273 OH TYR A 248 5.762 1.732 4.127 1.00 15.00 O ATOM 0 H TYR A 248 1.570 -1.378 -0.905 1.00 15.00 H new ATOM 0 HA TYR A 248 0.903 1.044 0.687 1.00 15.00 H new ATOM 0 HB2 TYR A 248 3.131 0.287 -1.179 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.611 1.958 -1.083 1.00 15.00 H new ATOM 0 HD1 TYR A 248 3.998 -0.864 0.890 1.00 15.00 H new ATOM 0 HD2 TYR A 248 3.118 3.314 0.852 1.00 15.00 H new ATOM 0 HE1 TYR A 248 5.340 -0.553 2.921 1.00 15.00 H new ATOM 0 HE2 TYR A 248 4.483 3.618 2.848 1.00 15.00 H new ATOM 0 HH TYR A 248 5.368 1.239 4.877 1.00 15.00 H new ATOM 283 N ILE A 249 -0.790 1.732 -0.918 1.00 15.00 N ATOM 284 CA ILE A 249 -1.712 2.319 -1.887 1.00 15.00 C ATOM 285 C ILE A 249 -1.778 3.829 -1.738 1.00 15.00 C ATOM 286 O ILE A 249 -1.862 4.363 -0.627 1.00 15.00 O ATOM 287 CB ILE A 249 -3.143 1.752 -1.814 1.00 15.00 C ATOM 288 CG1 ILE A 249 -3.773 1.970 -0.440 1.00 15.00 C ATOM 289 CG2 ILE A 249 -3.154 0.284 -2.183 1.00 15.00 C ATOM 290 CD1 ILE A 249 -5.135 1.320 -0.309 1.00 15.00 C ATOM 0 H ILE A 249 -1.003 1.948 0.056 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.302 2.049 -2.860 1.00 15.00 H new ATOM 0 HB ILE A 249 -3.748 2.298 -2.538 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -3.109 1.570 0.327 1.00 15.00 H new ATOM 0 HG13 ILE A 249 -3.867 3.040 -0.254 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -4.173 -0.098 -2.125 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -2.777 0.161 -3.198 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.519 -0.270 -1.491 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -5.534 1.508 0.688 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -5.811 1.738 -1.055 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -5.042 0.245 -0.465 1.00 15.00 H new ATOM 302 N ASN A 250 -1.729 4.510 -2.865 1.00 15.00 N ATOM 303 CA ASN A 250 -1.720 5.962 -2.883 1.00 15.00 C ATOM 304 C ASN A 250 -2.883 6.466 -3.715 1.00 15.00 C ATOM 305 O ASN A 250 -3.127 5.963 -4.813 1.00 15.00 O ATOM 306 CB ASN A 250 -0.403 6.463 -3.478 1.00 15.00 C ATOM 307 CG ASN A 250 -0.163 7.948 -3.260 1.00 15.00 C ATOM 308 OD1 ASN A 250 -1.090 8.726 -3.088 1.00 15.00 O ATOM 309 ND2 ASN A 250 1.092 8.354 -3.294 1.00 15.00 N ATOM 0 H ASN A 250 -1.694 4.078 -3.789 1.00 15.00 H new ATOM 0 HA ASN A 250 -1.817 6.336 -1.864 1.00 15.00 H new ATOM 0 HB2 ASN A 250 0.421 5.902 -3.038 1.00 15.00 H new ATOM 0 HB3 ASN A 250 -0.395 6.255 -4.548 1.00 15.00 H new ATOM 0 HD21 ASN A 250 1.311 9.343 -3.175 1.00 15.00 H new ATOM 0 HD22 ASN A 250 1.843 7.679 -3.439 1.00 15.00 H new ATOM 316 N HIS A 251 -3.579 7.472 -3.198 1.00 15.00 N ATOM 317 CA HIS A 251 -4.714 8.070 -3.895 1.00 15.00 C ATOM 318 C HIS A 251 -4.244 9.109 -4.905 1.00 15.00 C ATOM 319 O HIS A 251 -4.997 9.525 -5.785 1.00 15.00 O ATOM 320 CB HIS A 251 -5.686 8.705 -2.897 1.00 15.00 C ATOM 321 CG HIS A 251 -6.545 7.718 -2.168 1.00 15.00 C ATOM 322 ND1 HIS A 251 -6.055 6.827 -1.238 1.00 15.00 N ATOM 323 CD2 HIS A 251 -7.877 7.496 -2.231 1.00 15.00 C ATOM 324 CE1 HIS A 251 -7.049 6.102 -0.762 1.00 15.00 C ATOM 325 NE2 HIS A 251 -8.172 6.487 -1.345 1.00 15.00 N ATOM 0 H HIS A 251 -3.376 7.894 -2.292 1.00 15.00 H new ATOM 0 HA HIS A 251 -5.234 7.277 -4.433 1.00 15.00 H new ATOM 0 HB2 HIS A 251 -5.117 9.283 -2.169 1.00 15.00 H new ATOM 0 HB3 HIS A 251 -6.329 9.407 -3.428 1.00 15.00 H new ATOM 0 HD2 HIS A 251 -8.581 8.017 -2.863 1.00 15.00 H new ATOM 0 HE1 HIS A 251 -6.960 5.323 -0.019 1.00 15.00 H new ATOM 0 HE2 HIS A 251 -9.099 6.101 -1.167 1.00 15.00 H new ATOM 334 N LYS A 252 -3.001 9.544 -4.758 1.00 15.00 N ATOM 335 CA LYS A 252 -2.401 10.474 -5.702 1.00 15.00 C ATOM 336 C LYS A 252 -1.518 9.713 -6.688 1.00 15.00 C ATOM 337 O LYS A 252 -1.113 10.243 -7.720 1.00 15.00 O ATOM 338 CB LYS A 252 -1.597 11.543 -4.951 1.00 15.00 C ATOM 339 CG LYS A 252 -1.204 12.746 -5.800 1.00 15.00 C ATOM 340 CD LYS A 252 -2.412 13.375 -6.486 1.00 15.00 C ATOM 341 CE LYS A 252 -3.498 13.764 -5.493 1.00 15.00 C ATOM 342 NZ LYS A 252 -3.061 14.832 -4.553 1.00 15.00 N1+ ATOM 0 H LYS A 252 -2.387 9.267 -3.992 1.00 15.00 H new ATOM 0 HA LYS A 252 -3.188 10.977 -6.264 1.00 15.00 H new ATOM 0 HB2 LYS A 252 -2.183 11.890 -4.100 1.00 15.00 H new ATOM 0 HB3 LYS A 252 -0.693 11.085 -4.550 1.00 15.00 H new ATOM 0 HG2 LYS A 252 -0.715 13.490 -5.171 1.00 15.00 H new ATOM 0 HG3 LYS A 252 -0.478 12.438 -6.553 1.00 15.00 H new ATOM 0 HD2 LYS A 252 -2.094 14.259 -7.039 1.00 15.00 H new ATOM 0 HD3 LYS A 252 -2.821 12.674 -7.213 1.00 15.00 H new ATOM 0 HE2 LYS A 252 -4.378 14.104 -6.038 1.00 15.00 H new ATOM 0 HE3 LYS A 252 -3.796 12.884 -4.923 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 -3.843 15.070 -3.910 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 -2.248 14.495 -3.999 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 -2.786 15.678 -5.092 1.00 15.00 H new ATOM 356 N ASN A 253 -1.203 8.468 -6.346 1.00 15.00 N ATOM 357 CA ASN A 253 -0.486 7.584 -7.263 1.00 15.00 C ATOM 358 C ASN A 253 -1.468 6.665 -7.977 1.00 15.00 C ATOM 359 O ASN A 253 -1.153 6.097 -9.022 1.00 15.00 O ATOM 360 CB ASN A 253 0.585 6.753 -6.535 1.00 15.00 C ATOM 361 CG ASN A 253 1.891 7.504 -6.328 1.00 15.00 C ATOM 362 OD1 ASN A 253 2.954 6.896 -6.241 1.00 15.00 O ATOM 363 ND2 ASN A 253 1.828 8.827 -6.256 1.00 15.00 N ATOM 0 H ASN A 253 -1.431 8.048 -5.445 1.00 15.00 H new ATOM 0 HA ASN A 253 0.024 8.209 -7.996 1.00 15.00 H new ATOM 0 HB2 ASN A 253 0.196 6.441 -5.566 1.00 15.00 H new ATOM 0 HB3 ASN A 253 0.782 5.846 -7.107 1.00 15.00 H new ATOM 0 HD21 ASN A 253 2.680 9.372 -6.124 1.00 15.00 H new ATOM 0 HD22 ASN A 253 0.927 9.300 -6.332 1.00 15.00 H new ATOM 370 N LYS A 254 -2.653 6.515 -7.381 1.00 15.00 N ATOM 371 CA LYS A 254 -3.737 5.721 -7.960 1.00 15.00 C ATOM 372 C LYS A 254 -3.292 4.270 -8.178 1.00 15.00 C ATOM 373 O LYS A 254 -3.707 3.612 -9.135 1.00 15.00 O ATOM 374 CB LYS A 254 -4.193 6.370 -9.278 1.00 15.00 C ATOM 375 CG LYS A 254 -5.473 5.786 -9.853 1.00 15.00 C ATOM 376 CD LYS A 254 -5.924 6.538 -11.093 1.00 15.00 C ATOM 377 CE LYS A 254 -7.125 5.873 -11.740 1.00 15.00 C ATOM 378 NZ LYS A 254 -6.784 4.549 -12.327 1.00 15.00 N1+ ATOM 0 H LYS A 254 -2.887 6.941 -6.484 1.00 15.00 H new ATOM 0 HA LYS A 254 -4.579 5.700 -7.268 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -4.337 7.438 -9.113 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -3.397 6.266 -10.015 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -5.315 4.736 -10.101 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -6.260 5.821 -9.100 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -6.175 7.565 -10.826 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -5.104 6.586 -11.809 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -7.913 5.748 -10.997 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -7.522 6.523 -12.520 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -7.560 4.232 -12.942 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -5.911 4.632 -12.886 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -6.642 3.857 -11.564 1.00 15.00 H new ATOM 392 N THR A 255 -2.481 3.749 -7.266 1.00 15.00 N ATOM 393 CA THR A 255 -1.934 2.408 -7.445 1.00 15.00 C ATOM 394 C THR A 255 -1.662 1.674 -6.168 1.00 15.00 C ATOM 395 O THR A 255 -1.396 2.251 -5.107 1.00 15.00 O ATOM 396 CB THR A 255 -0.675 2.321 -8.324 1.00 15.00 C ATOM 397 OG1 THR A 255 -0.064 1.027 -8.225 1.00 15.00 O ATOM 398 CG2 THR A 255 0.350 3.388 -7.971 1.00 15.00 C ATOM 0 H THR A 255 -2.191 4.223 -6.410 1.00 15.00 H new ATOM 0 HA THR A 255 -2.753 1.920 -7.974 1.00 15.00 H new ATOM 0 HB THR A 255 -1.005 2.490 -9.349 1.00 15.00 H new ATOM 0 HG1 THR A 255 0.733 0.997 -8.794 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.220 3.285 -8.619 1.00 15.00 H new ATOM 0 HG22 THR A 255 -0.090 4.375 -8.109 1.00 15.00 H new ATOM 0 HG23 THR A 255 0.656 3.269 -6.931 1.00 15.00 H new ATOM 406 N THR A 256 -1.771 0.385 -6.327 1.00 15.00 N ATOM 407 CA THR A 256 -1.534 -0.572 -5.266 1.00 15.00 C ATOM 408 C THR A 256 -0.221 -1.320 -5.512 1.00 15.00 C ATOM 409 O THR A 256 -0.125 -2.147 -6.423 1.00 15.00 O ATOM 410 CB THR A 256 -2.680 -1.591 -5.161 1.00 15.00 C ATOM 411 OG1 THR A 256 -3.929 -0.907 -4.990 1.00 15.00 O ATOM 412 CG2 THR A 256 -2.439 -2.540 -3.995 1.00 15.00 C ATOM 0 H THR A 256 -2.032 -0.046 -7.214 1.00 15.00 H new ATOM 0 HA THR A 256 -1.476 -0.016 -4.331 1.00 15.00 H new ATOM 0 HB THR A 256 -2.717 -2.173 -6.082 1.00 15.00 H new ATOM 0 HG1 THR A 256 -4.398 -0.862 -5.849 1.00 15.00 H new ATOM 0 HG21 THR A 256 -3.259 -3.256 -3.933 1.00 15.00 H new ATOM 0 HG22 THR A 256 -1.501 -3.074 -4.149 1.00 15.00 H new ATOM 0 HG23 THR A 256 -2.384 -1.970 -3.067 1.00 15.00 H new ATOM 420 N SER A 257 0.781 -1.015 -4.706 1.00 15.00 N ATOM 421 CA SER A 257 2.086 -1.648 -4.809 1.00 15.00 C ATOM 422 C SER A 257 2.318 -2.532 -3.581 1.00 15.00 C ATOM 423 O SER A 257 1.959 -2.152 -2.465 1.00 15.00 O ATOM 424 CB SER A 257 3.163 -0.563 -4.923 1.00 15.00 C ATOM 425 OG SER A 257 4.437 -1.118 -5.224 1.00 15.00 O ATOM 0 H SER A 257 0.714 -0.321 -3.961 1.00 15.00 H new ATOM 0 HA SER A 257 2.134 -2.277 -5.698 1.00 15.00 H new ATOM 0 HB2 SER A 257 2.883 0.148 -5.700 1.00 15.00 H new ATOM 0 HB3 SER A 257 3.220 -0.007 -3.987 1.00 15.00 H new ATOM 0 HG SER A 257 5.099 -0.399 -5.291 1.00 15.00 H new ATOM 431 N TRP A 258 2.926 -3.702 -3.787 1.00 15.00 N ATOM 432 CA TRP A 258 3.106 -4.683 -2.710 1.00 15.00 C ATOM 433 C TRP A 258 3.924 -4.147 -1.539 1.00 15.00 C ATOM 434 O TRP A 258 3.476 -4.179 -0.403 1.00 15.00 O ATOM 435 CB TRP A 258 3.807 -5.942 -3.225 1.00 15.00 C ATOM 436 CG TRP A 258 2.902 -6.955 -3.851 1.00 15.00 C ATOM 437 CD1 TRP A 258 3.044 -7.521 -5.080 1.00 15.00 C ATOM 438 CD2 TRP A 258 1.719 -7.526 -3.283 1.00 15.00 C ATOM 439 NE1 TRP A 258 2.045 -8.430 -5.303 1.00 15.00 N ATOM 440 CE2 TRP A 258 1.214 -8.444 -4.220 1.00 15.00 C ATOM 441 CE3 TRP A 258 1.039 -7.358 -2.072 1.00 15.00 C ATOM 442 CZ2 TRP A 258 0.066 -9.188 -3.989 1.00 15.00 C ATOM 443 CZ3 TRP A 258 -0.113 -8.090 -1.853 1.00 15.00 C ATOM 444 CH2 TRP A 258 -0.581 -8.997 -2.809 1.00 15.00 C ATOM 0 H TRP A 258 3.303 -3.995 -4.689 1.00 15.00 H new ATOM 0 HA TRP A 258 2.099 -4.910 -2.360 1.00 15.00 H new ATOM 0 HB2 TRP A 258 4.560 -5.648 -3.956 1.00 15.00 H new ATOM 0 HB3 TRP A 258 4.335 -6.412 -2.395 1.00 15.00 H new ATOM 0 HD1 TRP A 258 3.832 -7.287 -5.780 1.00 15.00 H new ATOM 0 HE1 TRP A 258 1.939 -9.003 -6.140 1.00 15.00 H new ATOM 0 HE3 TRP A 258 1.406 -6.671 -1.324 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 -0.300 -9.893 -4.720 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -0.659 -7.960 -0.931 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -1.480 -9.560 -2.604 1.00 15.00 H new ATOM 455 N LEU A 259 5.128 -3.680 -1.828 1.00 15.00 N ATOM 456 CA LEU A 259 6.131 -3.461 -0.793 1.00 15.00 C ATOM 457 C LEU A 259 6.612 -2.012 -0.684 1.00 15.00 C ATOM 458 O LEU A 259 6.449 -1.222 -1.617 1.00 15.00 O ATOM 459 CB LEU A 259 7.304 -4.410 -0.929 1.00 15.00 C ATOM 460 CG LEU A 259 7.237 -5.607 0.020 1.00 15.00 C ATOM 461 CD1 LEU A 259 8.584 -6.297 0.061 1.00 15.00 C ATOM 462 CD2 LEU A 259 6.828 -5.163 1.425 1.00 15.00 C ATOM 0 H LEU A 259 5.437 -3.444 -2.771 1.00 15.00 H new ATOM 0 HA LEU A 259 5.617 -3.679 0.143 1.00 15.00 H new ATOM 0 HB2 LEU A 259 7.349 -4.773 -1.956 1.00 15.00 H new ATOM 0 HB3 LEU A 259 8.228 -3.862 -0.744 1.00 15.00 H new ATOM 0 HG LEU A 259 6.484 -6.305 -0.347 1.00 15.00 H new ATOM 0 HD11 LEU A 259 8.535 -7.150 0.738 1.00 15.00 H new ATOM 0 HD12 LEU A 259 8.847 -6.642 -0.939 1.00 15.00 H new ATOM 0 HD13 LEU A 259 9.341 -5.597 0.414 1.00 15.00 H new ATOM 0 HD21 LEU A 259 6.787 -6.031 2.083 1.00 15.00 H new ATOM 0 HD22 LEU A 259 7.559 -4.451 1.809 1.00 15.00 H new ATOM 0 HD23 LEU A 259 5.847 -4.690 1.386 1.00 15.00 H new ATOM 474 N ASP A 260 7.225 -1.686 0.470 1.00 15.00 N ATOM 475 CA ASP A 260 7.480 -0.317 0.890 1.00 15.00 C ATOM 476 C ASP A 260 8.345 0.443 -0.098 1.00 15.00 C ATOM 477 O ASP A 260 9.452 0.042 -0.442 1.00 15.00 O ATOM 478 CB ASP A 260 8.166 -0.317 2.265 1.00 15.00 C ATOM 479 CG ASP A 260 9.397 -1.198 2.325 1.00 15.00 C ATOM 480 OD1 ASP A 260 9.245 -2.437 2.290 1.00 15.00 O ATOM 481 OD2 ASP A 260 10.509 -0.656 2.447 1.00 15.00 O1- ATOM 0 H ASP A 260 7.557 -2.383 1.137 1.00 15.00 H new ATOM 0 HA ASP A 260 6.515 0.188 0.942 1.00 15.00 H new ATOM 0 HB2 ASP A 260 8.447 0.704 2.522 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.453 -0.651 3.018 1.00 15.00 H new ATOM 486 N PRO A 261 7.816 1.588 -0.550 1.00 15.00 N ATOM 487 CA PRO A 261 8.441 2.440 -1.531 1.00 15.00 C ATOM 488 C PRO A 261 9.390 3.403 -0.945 1.00 15.00 C ATOM 489 O PRO A 261 10.135 4.164 -1.561 1.00 15.00 O ATOM 490 CB PRO A 261 7.258 3.050 -2.276 1.00 15.00 C ATOM 491 CG PRO A 261 6.245 3.230 -1.182 1.00 15.00 C ATOM 492 CD PRO A 261 6.506 2.133 -0.166 1.00 15.00 C ATOM 0 HA PRO A 261 9.097 1.903 -2.216 1.00 15.00 H new ATOM 0 HB2 PRO A 261 7.520 3.997 -2.747 1.00 15.00 H new ATOM 0 HB3 PRO A 261 6.892 2.392 -3.064 1.00 15.00 H new ATOM 0 HG2 PRO A 261 6.341 4.214 -0.723 1.00 15.00 H new ATOM 0 HG3 PRO A 261 5.231 3.160 -1.577 1.00 15.00 H new ATOM 0 HD2 PRO A 261 6.521 2.527 0.850 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.731 1.367 -0.199 1.00 15.00 H new ATOM 500 N ARG A 262 9.251 3.299 0.251 1.00 15.00 N ATOM 501 CA ARG A 262 9.821 4.200 1.253 1.00 15.00 C ATOM 502 C ARG A 262 11.274 3.849 1.537 1.00 15.00 C ATOM 503 O ARG A 262 11.978 4.584 2.227 1.00 15.00 O ATOM 504 CB ARG A 262 9.030 4.154 2.560 1.00 15.00 C ATOM 505 CG ARG A 262 9.016 2.783 3.213 1.00 15.00 C ATOM 506 CD ARG A 262 8.904 2.887 4.726 1.00 15.00 C ATOM 507 NE ARG A 262 8.677 1.589 5.360 1.00 15.00 N ATOM 508 CZ ARG A 262 9.605 0.640 5.495 1.00 15.00 C ATOM 509 NH1 ARG A 262 10.842 0.833 5.045 1.00 15.00 N1+ ATOM 510 NH2 ARG A 262 9.292 -0.502 6.093 1.00 15.00 N ATOM 0 H ARG A 262 8.704 2.545 0.668 1.00 15.00 H new ATOM 0 HA ARG A 262 9.766 5.208 0.842 1.00 15.00 H new ATOM 0 HB2 ARG A 262 9.455 4.876 3.258 1.00 15.00 H new ATOM 0 HB3 ARG A 262 8.004 4.465 2.365 1.00 15.00 H new ATOM 0 HG2 ARG A 262 8.179 2.202 2.824 1.00 15.00 H new ATOM 0 HG3 ARG A 262 9.927 2.245 2.951 1.00 15.00 H new ATOM 0 HD2 ARG A 262 9.817 3.328 5.125 1.00 15.00 H new ATOM 0 HD3 ARG A 262 8.086 3.561 4.981 1.00 15.00 H new ATOM 0 HE ARG A 262 7.744 1.396 5.724 1.00 15.00 H new ATOM 0 HH11 ARG A 262 11.088 1.713 4.592 1.00 15.00 H new ATOM 0 HH12 ARG A 262 11.544 0.101 5.153 1.00 15.00 H new ATOM 0 HH21 ARG A 262 8.347 -0.650 6.446 1.00 15.00 H new ATOM 0 HH22 ARG A 262 9.997 -1.232 6.200 1.00 15.00 H new ATOM 524 N LEU A 263 11.704 2.714 1.021 1.00 15.00 N ATOM 525 CA LEU A 263 13.047 2.231 1.253 1.00 15.00 C ATOM 526 C LEU A 263 13.901 2.483 0.018 1.00 15.00 C ATOM 527 O LEU A 263 14.776 3.375 0.067 1.00 15.00 O ATOM 528 CB LEU A 263 12.995 0.739 1.603 1.00 15.00 C ATOM 529 CG LEU A 263 14.250 0.155 2.268 1.00 15.00 C ATOM 530 CD1 LEU A 263 15.352 -0.071 1.250 1.00 15.00 C ATOM 531 CD2 LEU A 263 14.741 1.067 3.382 1.00 15.00 C ATOM 532 OXT LEU A 263 13.674 1.810 -1.006 1.00 15.00 O ATOM 0 H LEU A 263 11.135 2.105 0.433 1.00 15.00 H new ATOM 0 HA LEU A 263 13.499 2.764 2.090 1.00 15.00 H new ATOM 0 HB2 LEU A 263 12.146 0.572 2.266 1.00 15.00 H new ATOM 0 HB3 LEU A 263 12.800 0.179 0.688 1.00 15.00 H new ATOM 0 HG LEU A 263 13.981 -0.809 2.699 1.00 15.00 H new ATOM 0 HD11 LEU A 263 16.229 -0.485 1.748 1.00 15.00 H new ATOM 0 HD12 LEU A 263 15.005 -0.768 0.487 1.00 15.00 H new ATOM 0 HD13 LEU A 263 15.615 0.878 0.782 1.00 15.00 H new ATOM 0 HD21 LEU A 263 15.631 0.635 3.840 1.00 15.00 H new ATOM 0 HD22 LEU A 263 14.984 2.046 2.970 1.00 15.00 H new ATOM 0 HD23 LEU A 263 13.961 1.174 4.135 1.00 15.00 H new TER 544 LEU A 263 ATOM 545 N THR B 222 1.818 -12.334 -7.757 1.00 15.00 N ATOM 546 CA THR B 222 0.349 -12.305 -7.628 1.00 15.00 C ATOM 547 C THR B 222 -0.145 -10.867 -7.487 1.00 15.00 C ATOM 548 O THR B 222 0.653 -9.968 -7.218 1.00 15.00 O ATOM 549 CB THR B 222 -0.098 -13.123 -6.404 1.00 15.00 C ATOM 550 OG1 THR B 222 0.699 -12.768 -5.268 1.00 15.00 O ATOM 551 CG2 THR B 222 0.024 -14.616 -6.669 1.00 15.00 C ATOM 0 HA THR B 222 -0.081 -12.744 -8.528 1.00 15.00 H new ATOM 0 HB THR B 222 -1.145 -12.895 -6.204 1.00 15.00 H new ATOM 0 HG1 THR B 222 1.583 -12.470 -5.569 1.00 15.00 H new ATOM 0 HG21 THR B 222 -0.299 -15.170 -5.787 1.00 15.00 H new ATOM 0 HG22 THR B 222 -0.604 -14.887 -7.518 1.00 15.00 H new ATOM 0 HG23 THR B 222 1.062 -14.862 -6.892 1.00 15.00 H new ATOM 561 N PRO B 223 -1.455 -10.618 -7.684 1.00 15.00 N ATOM 562 CA PRO B 223 -2.033 -9.283 -7.552 1.00 15.00 C ATOM 563 C PRO B 223 -2.411 -8.960 -6.096 1.00 15.00 C ATOM 564 O PRO B 223 -2.863 -9.853 -5.372 1.00 15.00 O ATOM 565 CB PRO B 223 -3.307 -9.356 -8.416 1.00 15.00 C ATOM 566 CG PRO B 223 -3.401 -10.764 -8.921 1.00 15.00 C ATOM 567 CD PRO B 223 -2.482 -11.590 -8.067 1.00 15.00 C ATOM 0 HA PRO B 223 -1.333 -8.506 -7.858 1.00 15.00 H new ATOM 0 HB2 PRO B 223 -4.188 -9.095 -7.830 1.00 15.00 H new ATOM 0 HB3 PRO B 223 -3.254 -8.650 -9.245 1.00 15.00 H new ATOM 0 HG2 PRO B 223 -4.425 -11.131 -8.855 1.00 15.00 H new ATOM 0 HG3 PRO B 223 -3.109 -10.820 -9.970 1.00 15.00 H new ATOM 0 HD2 PRO B 223 -2.995 -12.003 -7.199 1.00 15.00 H new ATOM 0 HD3 PRO B 223 -2.061 -12.431 -8.618 1.00 15.00 H new ATOM 575 N PRO B 224 -2.275 -7.694 -5.630 1.00 15.00 N ATOM 576 CA PRO B 224 -2.749 -7.284 -4.318 1.00 15.00 C ATOM 577 C PRO B 224 -4.174 -6.750 -4.430 1.00 15.00 C ATOM 578 O PRO B 224 -4.750 -6.763 -5.523 1.00 15.00 O ATOM 579 CB PRO B 224 -1.762 -6.165 -3.924 1.00 15.00 C ATOM 580 CG PRO B 224 -1.100 -5.733 -5.196 1.00 15.00 C ATOM 581 CD PRO B 224 -1.731 -6.517 -6.314 1.00 15.00 C ATOM 0 HA PRO B 224 -2.781 -8.090 -3.585 1.00 15.00 H new ATOM 0 HB2 PRO B 224 -2.284 -5.332 -3.453 1.00 15.00 H new ATOM 0 HB3 PRO B 224 -1.027 -6.528 -3.205 1.00 15.00 H new ATOM 0 HG2 PRO B 224 -1.232 -4.663 -5.354 1.00 15.00 H new ATOM 0 HG3 PRO B 224 -0.027 -5.919 -5.154 1.00 15.00 H new ATOM 0 HD2 PRO B 224 -2.512 -5.946 -6.816 1.00 15.00 H new ATOM 0 HD3 PRO B 224 -1.001 -6.794 -7.074 1.00 15.00 H new ATOM 589 N PRO B 225 -4.787 -6.314 -3.319 1.00 15.00 N ATOM 590 CA PRO B 225 -6.065 -5.602 -3.375 1.00 15.00 C ATOM 591 C PRO B 225 -6.021 -4.478 -4.411 1.00 15.00 C ATOM 592 O PRO B 225 -4.975 -3.872 -4.625 1.00 15.00 O ATOM 593 CB PRO B 225 -6.193 -5.023 -1.966 1.00 15.00 C ATOM 594 CG PRO B 225 -5.451 -5.978 -1.098 1.00 15.00 C ATOM 595 CD PRO B 225 -4.316 -6.504 -1.933 1.00 15.00 C ATOM 0 HA PRO B 225 -6.899 -6.242 -3.663 1.00 15.00 H new ATOM 0 HB2 PRO B 225 -5.766 -4.022 -1.909 1.00 15.00 H new ATOM 0 HB3 PRO B 225 -7.237 -4.942 -1.664 1.00 15.00 H new ATOM 0 HG2 PRO B 225 -5.078 -5.482 -0.202 1.00 15.00 H new ATOM 0 HG3 PRO B 225 -6.100 -6.789 -0.767 1.00 15.00 H new ATOM 0 HD2 PRO B 225 -3.393 -5.956 -1.745 1.00 15.00 H new ATOM 0 HD3 PRO B 225 -4.114 -7.553 -1.719 1.00 15.00 H new ATOM 603 N ALA B 226 -7.149 -4.215 -5.055 1.00 15.00 N ATOM 604 CA ALA B 226 -7.234 -3.174 -6.081 1.00 15.00 C ATOM 605 C ALA B 226 -6.918 -1.796 -5.498 1.00 15.00 C ATOM 606 O ALA B 226 -6.621 -1.673 -4.310 1.00 15.00 O ATOM 607 CB ALA B 226 -8.618 -3.182 -6.710 1.00 15.00 C ATOM 0 H ALA B 226 -8.025 -4.709 -4.887 1.00 15.00 H new ATOM 0 HA ALA B 226 -6.491 -3.387 -6.850 1.00 15.00 H new ATOM 0 HB1 ALA B 226 -8.676 -2.405 -7.473 1.00 15.00 H new ATOM 0 HB2 ALA B 226 -8.804 -4.154 -7.167 1.00 15.00 H new ATOM 0 HB3 ALA B 226 -9.368 -2.992 -5.942 1.00 15.00 H new ATOM 613 N TYR B 227 -6.963 -0.756 -6.324 1.00 15.00 N ATOM 614 CA TYR B 227 -6.776 0.589 -5.810 1.00 15.00 C ATOM 615 C TYR B 227 -7.995 0.955 -4.968 1.00 15.00 C ATOM 616 O TYR B 227 -9.141 0.911 -5.421 1.00 15.00 O ATOM 617 CB TYR B 227 -6.499 1.596 -6.939 1.00 15.00 C ATOM 618 CG TYR B 227 -6.675 3.036 -6.522 1.00 15.00 C ATOM 619 CD1 TYR B 227 -6.069 3.521 -5.372 1.00 15.00 C ATOM 620 CD2 TYR B 227 -7.459 3.905 -7.267 1.00 15.00 C ATOM 621 CE1 TYR B 227 -6.239 4.826 -4.972 1.00 15.00 C ATOM 622 CE2 TYR B 227 -7.632 5.218 -6.879 1.00 15.00 C ATOM 623 CZ TYR B 227 -7.023 5.674 -5.731 1.00 15.00 C ATOM 624 OH TYR B 227 -7.199 6.981 -5.340 1.00 15.00 O ATOM 0 H TYR B 227 -7.124 -0.818 -7.329 1.00 15.00 H new ATOM 0 HA TYR B 227 -5.891 0.627 -5.175 1.00 15.00 H new ATOM 0 HB2 TYR B 227 -5.480 1.453 -7.300 1.00 15.00 H new ATOM 0 HB3 TYR B 227 -7.166 1.384 -7.775 1.00 15.00 H new ATOM 0 HD1 TYR B 227 -5.452 2.861 -4.780 1.00 15.00 H new ATOM 0 HD2 TYR B 227 -7.942 3.548 -8.165 1.00 15.00 H new ATOM 0 HE1 TYR B 227 -5.763 5.185 -4.071 1.00 15.00 H new ATOM 0 HE2 TYR B 227 -8.241 5.884 -7.472 1.00 15.00 H new ATOM 0 HH TYR B 227 -7.777 7.440 -5.985 1.00 15.00 H new ATOM 634 N LEU B 228 -7.693 1.323 -3.742 1.00 15.00 N ATOM 635 CA LEU B 228 -8.579 1.169 -2.608 1.00 15.00 C ATOM 636 C LEU B 228 -8.331 2.261 -1.578 1.00 15.00 C ATOM 637 O LEU B 228 -7.241 2.827 -1.538 1.00 15.00 O ATOM 638 CB LEU B 228 -8.407 -0.204 -1.950 1.00 15.00 C ATOM 639 CG LEU B 228 -9.124 -1.360 -2.651 1.00 15.00 C ATOM 640 CD1 LEU B 228 -8.891 -2.658 -1.897 1.00 15.00 C ATOM 641 CD2 LEU B 228 -10.615 -1.075 -2.773 1.00 15.00 C ATOM 0 H LEU B 228 -6.799 1.750 -3.499 1.00 15.00 H new ATOM 0 HA LEU B 228 -9.600 1.252 -2.980 1.00 15.00 H new ATOM 0 HB2 LEU B 228 -7.343 -0.434 -1.901 1.00 15.00 H new ATOM 0 HB3 LEU B 228 -8.767 -0.144 -0.923 1.00 15.00 H new ATOM 0 HG LEU B 228 -8.714 -1.461 -3.656 1.00 15.00 H new ATOM 0 HD11 LEU B 228 -9.407 -3.472 -2.406 1.00 15.00 H new ATOM 0 HD12 LEU B 228 -7.823 -2.871 -1.861 1.00 15.00 H new ATOM 0 HD13 LEU B 228 -9.276 -2.563 -0.882 1.00 15.00 H new ATOM 0 HD21 LEU B 228 -11.105 -1.910 -3.274 1.00 15.00 H new ATOM 0 HD22 LEU B 228 -11.043 -0.947 -1.779 1.00 15.00 H new ATOM 0 HD23 LEU B 228 -10.765 -0.165 -3.353 1.00 15.00 H new ATOM 653 N PRO B 229 -9.334 2.644 -0.778 1.00 15.00 N ATOM 654 CA PRO B 229 -9.048 3.434 0.403 1.00 15.00 C ATOM 655 C PRO B 229 -8.741 2.463 1.540 1.00 15.00 C ATOM 656 O PRO B 229 -9.294 1.364 1.598 1.00 15.00 O ATOM 657 CB PRO B 229 -10.364 4.179 0.680 1.00 15.00 C ATOM 658 CG PRO B 229 -11.337 3.724 -0.362 1.00 15.00 C ATOM 659 CD PRO B 229 -10.779 2.463 -0.966 1.00 15.00 C ATOM 0 HA PRO B 229 -8.208 4.120 0.294 1.00 15.00 H new ATOM 0 HB2 PRO B 229 -10.734 3.954 1.680 1.00 15.00 H new ATOM 0 HB3 PRO B 229 -10.217 5.258 0.629 1.00 15.00 H new ATOM 0 HG2 PRO B 229 -12.316 3.539 0.080 1.00 15.00 H new ATOM 0 HG3 PRO B 229 -11.471 4.491 -1.125 1.00 15.00 H new ATOM 0 HD2 PRO B 229 -11.147 1.571 -0.459 1.00 15.00 H new ATOM 0 HD3 PRO B 229 -11.044 2.364 -2.019 1.00 15.00 H new ATOM 667 N PRO B 230 -7.864 2.866 2.469 1.00 15.00 N ATOM 668 CA PRO B 230 -6.913 1.954 3.104 1.00 15.00 C ATOM 669 C PRO B 230 -7.408 1.256 4.359 1.00 15.00 C ATOM 670 O PRO B 230 -8.202 1.788 5.139 1.00 15.00 O ATOM 671 CB PRO B 230 -5.745 2.885 3.460 1.00 15.00 C ATOM 672 CG PRO B 230 -6.206 4.288 3.186 1.00 15.00 C ATOM 673 CD PRO B 230 -7.692 4.226 2.963 1.00 15.00 C ATOM 0 HA PRO B 230 -6.682 1.126 2.434 1.00 15.00 H new ATOM 0 HB2 PRO B 230 -5.464 2.769 4.507 1.00 15.00 H new ATOM 0 HB3 PRO B 230 -4.864 2.645 2.864 1.00 15.00 H new ATOM 0 HG2 PRO B 230 -5.969 4.943 4.025 1.00 15.00 H new ATOM 0 HG3 PRO B 230 -5.701 4.696 2.310 1.00 15.00 H new ATOM 0 HD2 PRO B 230 -8.251 4.401 3.882 1.00 15.00 H new ATOM 0 HD3 PRO B 230 -8.028 4.969 2.240 1.00 15.00 H new ATOM 681 N GLU B 231 -6.862 0.058 4.549 1.00 15.00 N ATOM 682 CA GLU B 231 -7.315 -0.878 5.570 1.00 15.00 C ATOM 683 C GLU B 231 -6.290 -0.981 6.680 1.00 15.00 C ATOM 684 O GLU B 231 -5.097 -0.798 6.455 1.00 15.00 O ATOM 685 CB GLU B 231 -7.610 -2.261 4.976 1.00 15.00 C ATOM 686 CG GLU B 231 -6.563 -2.780 4.033 1.00 15.00 C ATOM 687 CD GLU B 231 -7.161 -3.537 2.864 1.00 15.00 C ATOM 688 OE1 GLU B 231 -7.638 -2.882 1.915 1.00 15.00 O1- ATOM 689 OE2 GLU B 231 -7.155 -4.786 2.892 1.00 15.00 O ATOM 0 H GLU B 231 -6.084 -0.293 3.991 1.00 15.00 H new ATOM 0 HA GLU B 231 -8.247 -0.494 5.986 1.00 15.00 H new ATOM 0 HB2 GLU B 231 -7.728 -2.973 5.792 1.00 15.00 H new ATOM 0 HB3 GLU B 231 -8.563 -2.218 4.450 1.00 15.00 H new ATOM 0 HG2 GLU B 231 -5.971 -1.946 3.657 1.00 15.00 H new ATOM 0 HG3 GLU B 231 -5.882 -3.435 4.576 1.00 15.00 H new ATOM 696 N ASP B 232 -6.761 -1.262 7.873 1.00 15.00 N ATOM 697 CA ASP B 232 -5.905 -1.208 9.053 1.00 15.00 C ATOM 698 C ASP B 232 -5.811 -2.558 9.772 1.00 15.00 C ATOM 699 O ASP B 232 -4.705 -3.068 9.966 1.00 15.00 O ATOM 700 CB ASP B 232 -6.380 -0.118 10.021 1.00 15.00 C ATOM 701 CG ASP B 232 -5.434 0.069 11.188 1.00 15.00 C ATOM 702 OD1 ASP B 232 -4.424 0.784 11.025 1.00 15.00 O1- ATOM 703 OD2 ASP B 232 -5.690 -0.489 12.272 1.00 15.00 O ATOM 0 H ASP B 232 -7.727 -1.530 8.060 1.00 15.00 H new ATOM 0 HA ASP B 232 -4.903 -0.960 8.703 1.00 15.00 H new ATOM 0 HB2 ASP B 232 -6.479 0.824 9.482 1.00 15.00 H new ATOM 0 HB3 ASP B 232 -7.370 -0.376 10.397 1.00 15.00 H new ATOM 708 N PRO B 233 -6.945 -3.156 10.204 1.00 15.00 N ATOM 709 CA PRO B 233 -6.941 -4.420 10.921 1.00 15.00 C ATOM 710 C PRO B 233 -7.161 -5.617 9.997 1.00 15.00 C ATOM 711 O PRO B 233 -6.197 -6.035 9.324 1.00 15.00 O ATOM 712 CB PRO B 233 -8.120 -4.259 11.892 1.00 15.00 C ATOM 713 CG PRO B 233 -8.970 -3.147 11.343 1.00 15.00 C ATOM 714 CD PRO B 233 -8.316 -2.663 10.071 1.00 15.00 C ATOM 715 OXT PRO B 233 -8.295 -6.148 9.960 1.00 15.00 O ATOM 0 HA PRO B 233 -5.986 -4.620 11.407 1.00 15.00 H new ATOM 0 HB2 PRO B 233 -8.691 -5.184 11.967 1.00 15.00 H new ATOM 0 HB3 PRO B 233 -7.768 -4.020 12.895 1.00 15.00 H new ATOM 0 HG2 PRO B 233 -9.982 -3.500 11.144 1.00 15.00 H new ATOM 0 HG3 PRO B 233 -9.052 -2.335 12.065 1.00 15.00 H new ATOM 0 HD2 PRO B 233 -8.807 -3.066 9.185 1.00 15.00 H new ATOM 0 HD3 PRO B 233 -8.349 -1.577 9.987 1.00 15.00 H new TER 723 PRO B 233