USER MOD reduce.3.24.130724 H: found=0, std=0, add=344, rem=0, adj=9 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= -3.65! K(o=-5.6!,f=-2.6) USER MOD Set 1.2: B 227 TYR OH : rot 180:sc= -1.93! USER MOD Set 2.1: A 250 ASN : amide:sc= -2.14 K(o=-2.2,f=-12!) USER MOD Set 2.2: A 253 ASN : amide:sc= -0.0178 K(o=-2.2,f=-4.1) USER MOD Set 3.1: A 238 GLN : amide:sc= -0.257 X(o=-0.26,f=-0.64) USER MOD Set 3.2: A 248 TYR OH : rot -50:sc= 0.00161 USER MOD Single : A 240 MET CE :methyl 139:sc= -0.155 (180deg=-0.684) USER MOD Single : A 241 THR OG1 : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= 0.969 K(o=0.97,f=-0.077) USER MOD Single : A 247 TYR OH : rot 120:sc= -2.88! USER MOD Single : A 252 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 254 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 255 THR OG1 : rot 180:sc= -0.511 USER MOD Single : A 256 THR OG1 : rot -129:sc= 0.0165 USER MOD Single : A 257 SER OG : rot 180:sc= 0 USER MOD Single : B 222 THR OG1 : rot -37:sc= 0.308 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 230 4.593 4.009 8.826 1.00 15.00 N ATOM 2 CA GLY A 230 5.926 4.239 8.218 1.00 15.00 C ATOM 3 C GLY A 230 6.056 5.635 7.655 1.00 15.00 C ATOM 4 O GLY A 230 5.110 6.418 7.733 1.00 15.00 O ATOM 0 HA2 GLY A 230 6.700 4.077 8.968 1.00 15.00 H new ATOM 0 HA3 GLY A 230 6.094 3.511 7.425 1.00 15.00 H new ATOM 8 N PRO A 231 7.211 5.982 7.064 1.00 15.00 N ATOM 9 CA PRO A 231 7.476 7.291 6.514 1.00 15.00 C ATOM 10 C PRO A 231 7.371 7.245 4.998 1.00 15.00 C ATOM 11 O PRO A 231 8.340 6.919 4.310 1.00 15.00 O ATOM 12 CB PRO A 231 8.930 7.513 6.954 1.00 15.00 C ATOM 13 CG PRO A 231 9.496 6.126 7.178 1.00 15.00 C ATOM 14 CD PRO A 231 8.390 5.148 6.848 1.00 15.00 C ATOM 0 HA PRO A 231 6.790 8.073 6.840 1.00 15.00 H new ATOM 0 HB2 PRO A 231 9.494 8.050 6.191 1.00 15.00 H new ATOM 0 HB3 PRO A 231 8.979 8.110 7.865 1.00 15.00 H new ATOM 0 HG2 PRO A 231 10.366 5.956 6.543 1.00 15.00 H new ATOM 0 HG3 PRO A 231 9.826 6.004 8.210 1.00 15.00 H new ATOM 0 HD2 PRO A 231 8.455 4.782 5.823 1.00 15.00 H new ATOM 0 HD3 PRO A 231 8.403 4.275 7.500 1.00 15.00 H new ATOM 22 N LEU A 232 6.185 7.489 4.463 1.00 15.00 N ATOM 23 CA LEU A 232 5.962 7.128 3.080 1.00 15.00 C ATOM 24 C LEU A 232 6.416 8.219 2.138 1.00 15.00 C ATOM 25 O LEU A 232 6.510 9.382 2.522 1.00 15.00 O ATOM 26 CB LEU A 232 4.509 6.748 2.762 1.00 15.00 C ATOM 27 CG LEU A 232 3.916 5.585 3.571 1.00 15.00 C ATOM 28 CD1 LEU A 232 4.968 4.853 4.397 1.00 15.00 C ATOM 29 CD2 LEU A 232 2.791 6.061 4.462 1.00 15.00 C ATOM 0 H LEU A 232 5.394 7.918 4.944 1.00 15.00 H new ATOM 0 HA LEU A 232 6.568 6.236 2.925 1.00 15.00 H new ATOM 0 HB2 LEU A 232 3.884 7.627 2.918 1.00 15.00 H new ATOM 0 HB3 LEU A 232 4.445 6.496 1.704 1.00 15.00 H new ATOM 0 HG LEU A 232 3.518 4.875 2.846 1.00 15.00 H new ATOM 0 HD11 LEU A 232 4.496 4.040 4.949 1.00 15.00 H new ATOM 0 HD12 LEU A 232 5.732 4.446 3.735 1.00 15.00 H new ATOM 0 HD13 LEU A 232 5.429 5.549 5.098 1.00 15.00 H new ATOM 0 HD21 LEU A 232 2.389 5.217 5.023 1.00 15.00 H new ATOM 0 HD22 LEU A 232 3.169 6.811 5.156 1.00 15.00 H new ATOM 0 HD23 LEU A 232 2.002 6.498 3.850 1.00 15.00 H new ATOM 41 N PRO A 233 6.646 7.853 0.867 1.00 15.00 N ATOM 42 CA PRO A 233 7.193 8.769 -0.130 1.00 15.00 C ATOM 43 C PRO A 233 6.296 9.983 -0.352 1.00 15.00 C ATOM 44 O PRO A 233 6.754 11.126 -0.382 1.00 15.00 O ATOM 45 CB PRO A 233 7.220 7.922 -1.396 1.00 15.00 C ATOM 46 CG PRO A 233 7.201 6.496 -0.936 1.00 15.00 C ATOM 47 CD PRO A 233 6.356 6.518 0.288 1.00 15.00 C ATOM 0 HA PRO A 233 8.162 9.167 0.171 1.00 15.00 H new ATOM 0 HB2 PRO A 233 6.360 8.139 -2.030 1.00 15.00 H new ATOM 0 HB3 PRO A 233 8.112 8.130 -1.986 1.00 15.00 H new ATOM 0 HG2 PRO A 233 6.782 5.838 -1.697 1.00 15.00 H new ATOM 0 HG3 PRO A 233 8.206 6.134 -0.719 1.00 15.00 H new ATOM 0 HD2 PRO A 233 5.298 6.402 0.051 1.00 15.00 H new ATOM 0 HD3 PRO A 233 6.619 5.714 0.975 1.00 15.00 H new ATOM 55 N ASP A 234 5.017 9.706 -0.538 1.00 15.00 N ATOM 56 CA ASP A 234 4.014 10.738 -0.773 1.00 15.00 C ATOM 57 C ASP A 234 3.103 10.876 0.433 1.00 15.00 C ATOM 58 O ASP A 234 2.275 11.778 0.498 1.00 15.00 O ATOM 59 CB ASP A 234 3.174 10.410 -2.010 1.00 15.00 C ATOM 60 CG ASP A 234 4.010 10.277 -3.265 1.00 15.00 C ATOM 61 OD1 ASP A 234 4.473 9.158 -3.555 1.00 15.00 O1- ATOM 62 OD2 ASP A 234 4.208 11.298 -3.963 1.00 15.00 O ATOM 0 H ASP A 234 4.641 8.758 -0.531 1.00 15.00 H new ATOM 0 HA ASP A 234 4.537 11.680 -0.940 1.00 15.00 H new ATOM 0 HB2 ASP A 234 2.631 9.480 -1.840 1.00 15.00 H new ATOM 0 HB3 ASP A 234 2.429 11.192 -2.156 1.00 15.00 H new ATOM 67 N GLY A 235 3.237 9.943 1.363 1.00 15.00 N ATOM 68 CA GLY A 235 2.296 9.846 2.458 1.00 15.00 C ATOM 69 C GLY A 235 1.152 8.929 2.094 1.00 15.00 C ATOM 70 O GLY A 235 -0.013 9.323 2.130 1.00 15.00 O ATOM 0 H GLY A 235 3.984 9.249 1.378 1.00 15.00 H new ATOM 0 HA2 GLY A 235 2.802 9.470 3.347 1.00 15.00 H new ATOM 0 HA3 GLY A 235 1.912 10.836 2.704 1.00 15.00 H new ATOM 74 N TRP A 236 1.495 7.708 1.706 1.00 15.00 N ATOM 75 CA TRP A 236 0.503 6.742 1.270 1.00 15.00 C ATOM 76 C TRP A 236 0.702 5.400 1.944 1.00 15.00 C ATOM 77 O TRP A 236 1.817 4.923 2.045 1.00 15.00 O ATOM 78 CB TRP A 236 0.543 6.612 -0.231 1.00 15.00 C ATOM 79 CG TRP A 236 1.877 6.315 -0.873 1.00 15.00 C ATOM 80 CD1 TRP A 236 2.993 7.119 -0.997 1.00 15.00 C ATOM 81 CD2 TRP A 236 2.204 5.113 -1.571 1.00 15.00 C ATOM 82 NE1 TRP A 236 3.888 6.515 -1.810 1.00 15.00 N ATOM 83 CE2 TRP A 236 3.456 5.288 -2.143 1.00 15.00 C ATOM 84 CE3 TRP A 236 1.562 3.914 -1.792 1.00 15.00 C ATOM 85 CZ2 TRP A 236 4.070 4.321 -2.920 1.00 15.00 C ATOM 86 CZ3 TRP A 236 2.206 2.966 -2.571 1.00 15.00 C ATOM 87 CH2 TRP A 236 3.429 3.170 -3.116 1.00 15.00 C ATOM 0 H TRP A 236 2.455 7.365 1.685 1.00 15.00 H new ATOM 0 HA TRP A 236 -0.483 7.102 1.564 1.00 15.00 H new ATOM 0 HB2 TRP A 236 -0.151 5.822 -0.518 1.00 15.00 H new ATOM 0 HB3 TRP A 236 0.164 7.540 -0.659 1.00 15.00 H new ATOM 0 HD1 TRP A 236 3.129 8.078 -0.520 1.00 15.00 H new ATOM 0 HE1 TRP A 236 4.764 6.931 -2.125 1.00 15.00 H new ATOM 0 HE3 TRP A 236 0.587 3.719 -1.371 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 5.043 4.495 -3.356 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 1.711 2.023 -2.751 1.00 15.00 H new ATOM 0 HH2 TRP A 236 3.887 2.395 -3.713 1.00 15.00 H new ATOM 98 N GLU A 237 -0.381 4.701 2.224 1.00 15.00 N ATOM 99 CA GLU A 237 -0.429 3.866 3.410 1.00 15.00 C ATOM 100 C GLU A 237 0.070 2.471 3.183 1.00 15.00 C ATOM 101 O GLU A 237 -0.190 1.820 2.168 1.00 15.00 O ATOM 102 CB GLU A 237 -1.866 3.806 3.927 1.00 15.00 C ATOM 103 CG GLU A 237 -2.113 2.903 5.137 1.00 15.00 C ATOM 104 CD GLU A 237 -1.384 3.394 6.381 1.00 15.00 C ATOM 105 OE1 GLU A 237 -0.184 3.082 6.554 1.00 15.00 O ATOM 106 OE2 GLU A 237 -2.011 4.123 7.184 1.00 15.00 O1- ATOM 0 H GLU A 237 -1.228 4.693 1.656 1.00 15.00 H new ATOM 0 HA GLU A 237 0.237 4.324 4.141 1.00 15.00 H new ATOM 0 HB2 GLU A 237 -2.179 4.818 4.185 1.00 15.00 H new ATOM 0 HB3 GLU A 237 -2.509 3.471 3.113 1.00 15.00 H new ATOM 0 HG2 GLU A 237 -3.183 2.856 5.340 1.00 15.00 H new ATOM 0 HG3 GLU A 237 -1.788 1.889 4.904 1.00 15.00 H new ATOM 113 N GLN A 238 0.762 2.044 4.212 1.00 15.00 N ATOM 114 CA GLN A 238 1.302 0.710 4.313 1.00 15.00 C ATOM 115 C GLN A 238 0.333 -0.098 5.132 1.00 15.00 C ATOM 116 O GLN A 238 0.400 -0.130 6.362 1.00 15.00 O ATOM 117 CB GLN A 238 2.673 0.698 4.989 1.00 15.00 C ATOM 118 CG GLN A 238 3.242 -0.699 5.170 1.00 15.00 C ATOM 119 CD GLN A 238 3.996 -0.853 6.473 1.00 15.00 C ATOM 120 OE1 GLN A 238 5.199 -0.604 6.547 1.00 15.00 O ATOM 121 NE2 GLN A 238 3.288 -1.275 7.511 1.00 15.00 N ATOM 0 H GLN A 238 0.970 2.629 5.021 1.00 15.00 H new ATOM 0 HA GLN A 238 1.435 0.296 3.313 1.00 15.00 H new ATOM 0 HB2 GLN A 238 3.368 1.292 4.395 1.00 15.00 H new ATOM 0 HB3 GLN A 238 2.594 1.180 5.964 1.00 15.00 H new ATOM 0 HG2 GLN A 238 2.430 -1.426 5.136 1.00 15.00 H new ATOM 0 HG3 GLN A 238 3.909 -0.927 4.339 1.00 15.00 H new ATOM 0 HE21 GLN A 238 2.292 -1.469 7.404 1.00 15.00 H new ATOM 0 HE22 GLN A 238 3.739 -1.405 8.417 1.00 15.00 H new ATOM 130 N ALA A 239 -0.598 -0.697 4.456 1.00 15.00 N ATOM 131 CA ALA A 239 -1.689 -1.340 5.120 1.00 15.00 C ATOM 132 C ALA A 239 -1.518 -2.839 5.067 1.00 15.00 C ATOM 133 O ALA A 239 -1.064 -3.392 4.064 1.00 15.00 O ATOM 134 CB ALA A 239 -2.992 -0.884 4.505 1.00 15.00 C ATOM 0 H ALA A 239 -0.624 -0.754 3.438 1.00 15.00 H new ATOM 0 HA ALA A 239 -1.705 -1.059 6.173 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -3.824 -1.374 5.011 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -3.087 0.196 4.613 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -3.006 -1.145 3.447 1.00 15.00 H new ATOM 140 N MET A 240 -1.867 -3.489 6.154 1.00 15.00 N ATOM 141 CA MET A 240 -1.628 -4.908 6.291 1.00 15.00 C ATOM 142 C MET A 240 -2.811 -5.695 5.772 1.00 15.00 C ATOM 143 O MET A 240 -3.914 -5.620 6.313 1.00 15.00 O ATOM 144 CB MET A 240 -1.349 -5.274 7.754 1.00 15.00 C ATOM 145 CG MET A 240 0.003 -4.793 8.273 1.00 15.00 C ATOM 146 SD MET A 240 0.155 -2.993 8.331 1.00 15.00 S ATOM 147 CE MET A 240 -1.163 -2.573 9.471 1.00 15.00 C ATOM 0 H MET A 240 -2.319 -3.056 6.959 1.00 15.00 H new ATOM 0 HA MET A 240 -0.749 -5.164 5.699 1.00 15.00 H new ATOM 0 HB2 MET A 240 -2.136 -4.852 8.379 1.00 15.00 H new ATOM 0 HB3 MET A 240 -1.402 -6.357 7.862 1.00 15.00 H new ATOM 0 HG2 MET A 240 0.163 -5.195 9.273 1.00 15.00 H new ATOM 0 HG3 MET A 240 0.791 -5.196 7.637 1.00 15.00 H new ATOM 0 HE1 MET A 240 -0.823 -1.789 10.148 1.00 15.00 H new ATOM 0 HE2 MET A 240 -2.029 -2.219 8.912 1.00 15.00 H new ATOM 0 HE3 MET A 240 -1.440 -3.455 10.048 1.00 15.00 H new ATOM 157 N THR A 241 -2.579 -6.440 4.708 1.00 15.00 N ATOM 158 CA THR A 241 -3.598 -7.320 4.187 1.00 15.00 C ATOM 159 C THR A 241 -3.456 -8.674 4.862 1.00 15.00 C ATOM 160 O THR A 241 -2.344 -9.073 5.234 1.00 15.00 O ATOM 161 CB THR A 241 -3.508 -7.473 2.650 1.00 15.00 C ATOM 162 OG1 THR A 241 -4.543 -8.344 2.173 1.00 15.00 O ATOM 163 CG2 THR A 241 -2.155 -8.018 2.230 1.00 15.00 C ATOM 0 H THR A 241 -1.699 -6.451 4.193 1.00 15.00 H new ATOM 0 HA THR A 241 -4.575 -6.887 4.402 1.00 15.00 H new ATOM 0 HB THR A 241 -3.635 -6.483 2.212 1.00 15.00 H new ATOM 0 HG1 THR A 241 -4.475 -8.430 1.199 1.00 15.00 H new ATOM 0 HG21 THR A 241 -2.122 -8.114 1.145 1.00 15.00 H new ATOM 0 HG22 THR A 241 -1.370 -7.336 2.557 1.00 15.00 H new ATOM 0 HG23 THR A 241 -1.999 -8.996 2.686 1.00 15.00 H new ATOM 171 N GLN A 242 -4.581 -9.369 5.003 1.00 15.00 N ATOM 172 CA GLN A 242 -4.664 -10.603 5.784 1.00 15.00 C ATOM 173 C GLN A 242 -3.734 -11.678 5.247 1.00 15.00 C ATOM 174 O GLN A 242 -3.353 -12.605 5.960 1.00 15.00 O ATOM 175 CB GLN A 242 -6.085 -11.130 5.748 1.00 15.00 C ATOM 176 CG GLN A 242 -7.133 -10.131 6.222 1.00 15.00 C ATOM 177 CD GLN A 242 -6.803 -9.509 7.568 1.00 15.00 C ATOM 178 OE1 GLN A 242 -7.153 -10.048 8.617 1.00 15.00 O ATOM 179 NE2 GLN A 242 -6.152 -8.353 7.543 1.00 15.00 N ATOM 0 H GLN A 242 -5.466 -9.092 4.577 1.00 15.00 H new ATOM 0 HA GLN A 242 -4.363 -10.366 6.805 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -6.323 -11.433 4.728 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -6.145 -12.024 6.368 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -7.234 -9.340 5.479 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -8.099 -10.632 6.288 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -5.880 -7.940 6.651 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -5.924 -7.877 8.416 1.00 15.00 H new ATOM 188 N ASP A 243 -3.413 -11.564 3.972 1.00 15.00 N ATOM 189 CA ASP A 243 -2.442 -12.452 3.327 1.00 15.00 C ATOM 190 C ASP A 243 -1.079 -12.353 4.007 1.00 15.00 C ATOM 191 O ASP A 243 -0.235 -13.238 3.886 1.00 15.00 O ATOM 192 CB ASP A 243 -2.287 -12.074 1.861 1.00 15.00 C ATOM 193 CG ASP A 243 -1.445 -13.070 1.090 1.00 15.00 C ATOM 194 OD1 ASP A 243 -1.994 -14.110 0.671 1.00 15.00 O1- ATOM 195 OD2 ASP A 243 -0.237 -12.819 0.902 1.00 15.00 O ATOM 0 H ASP A 243 -3.811 -10.860 3.350 1.00 15.00 H new ATOM 0 HA ASP A 243 -2.811 -13.474 3.413 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -3.273 -12.004 1.401 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -1.831 -11.086 1.790 1.00 15.00 H new ATOM 200 N GLY A 244 -0.893 -11.272 4.739 1.00 15.00 N ATOM 201 CA GLY A 244 0.346 -11.041 5.448 1.00 15.00 C ATOM 202 C GLY A 244 1.343 -10.274 4.614 1.00 15.00 C ATOM 203 O GLY A 244 2.506 -10.657 4.510 1.00 15.00 O ATOM 0 H GLY A 244 -1.590 -10.537 4.857 1.00 15.00 H new ATOM 0 HA2 GLY A 244 0.141 -10.489 6.365 1.00 15.00 H new ATOM 0 HA3 GLY A 244 0.779 -11.997 5.741 1.00 15.00 H new ATOM 207 N GLU A 245 0.879 -9.179 4.027 1.00 15.00 N ATOM 208 CA GLU A 245 1.744 -8.289 3.256 1.00 15.00 C ATOM 209 C GLU A 245 1.475 -6.847 3.644 1.00 15.00 C ATOM 210 O GLU A 245 0.318 -6.441 3.776 1.00 15.00 O ATOM 211 CB GLU A 245 1.517 -8.445 1.746 1.00 15.00 C ATOM 212 CG GLU A 245 1.958 -9.780 1.170 1.00 15.00 C ATOM 213 CD GLU A 245 3.446 -10.017 1.306 1.00 15.00 C ATOM 214 OE1 GLU A 245 4.235 -9.152 0.872 1.00 15.00 O1- ATOM 215 OE2 GLU A 245 3.837 -11.077 1.836 1.00 15.00 O ATOM 0 H GLU A 245 -0.096 -8.883 4.069 1.00 15.00 H new ATOM 0 HA GLU A 245 2.776 -8.559 3.481 1.00 15.00 H new ATOM 0 HB2 GLU A 245 0.456 -8.307 1.536 1.00 15.00 H new ATOM 0 HB3 GLU A 245 2.050 -7.648 1.228 1.00 15.00 H new ATOM 0 HG2 GLU A 245 1.420 -10.583 1.674 1.00 15.00 H new ATOM 0 HG3 GLU A 245 1.683 -9.824 0.116 1.00 15.00 H new ATOM 222 N ILE A 246 2.534 -6.071 3.817 1.00 15.00 N ATOM 223 CA ILE A 246 2.382 -4.652 4.070 1.00 15.00 C ATOM 224 C ILE A 246 2.370 -3.908 2.740 1.00 15.00 C ATOM 225 O ILE A 246 3.408 -3.594 2.164 1.00 15.00 O ATOM 226 CB ILE A 246 3.479 -4.098 5.016 1.00 15.00 C ATOM 227 CG1 ILE A 246 4.884 -4.227 4.399 1.00 15.00 C ATOM 228 CG2 ILE A 246 3.412 -4.813 6.359 1.00 15.00 C ATOM 229 CD1 ILE A 246 6.012 -3.883 5.351 1.00 15.00 C ATOM 0 H ILE A 246 3.499 -6.399 3.787 1.00 15.00 H new ATOM 0 HA ILE A 246 1.434 -4.495 4.585 1.00 15.00 H new ATOM 0 HB ILE A 246 3.291 -3.035 5.166 1.00 15.00 H new ATOM 0 HG12 ILE A 246 5.021 -5.249 4.044 1.00 15.00 H new ATOM 0 HG13 ILE A 246 4.947 -3.576 3.527 1.00 15.00 H new ATOM 0 HG21 ILE A 246 4.185 -4.420 7.019 1.00 15.00 H new ATOM 0 HG22 ILE A 246 2.433 -4.650 6.809 1.00 15.00 H new ATOM 0 HG23 ILE A 246 3.570 -5.881 6.211 1.00 15.00 H new ATOM 0 HD11 ILE A 246 6.968 -3.999 4.840 1.00 15.00 H new ATOM 0 HD12 ILE A 246 5.903 -2.852 5.687 1.00 15.00 H new ATOM 0 HD13 ILE A 246 5.978 -4.550 6.212 1.00 15.00 H new ATOM 241 N TYR A 247 1.180 -3.652 2.238 1.00 15.00 N ATOM 242 CA TYR A 247 1.041 -3.100 0.908 1.00 15.00 C ATOM 243 C TYR A 247 1.052 -1.580 0.973 1.00 15.00 C ATOM 244 O TYR A 247 0.635 -0.986 1.963 1.00 15.00 O ATOM 245 CB TYR A 247 -0.239 -3.625 0.215 1.00 15.00 C ATOM 246 CG TYR A 247 -1.536 -2.990 0.688 1.00 15.00 C ATOM 247 CD1 TYR A 247 -1.755 -1.631 0.532 1.00 15.00 C ATOM 248 CD2 TYR A 247 -2.540 -3.749 1.276 1.00 15.00 C ATOM 249 CE1 TYR A 247 -2.905 -1.036 0.945 1.00 15.00 C ATOM 250 CE2 TYR A 247 -3.719 -3.161 1.703 1.00 15.00 C ATOM 251 CZ TYR A 247 -3.894 -1.798 1.536 1.00 15.00 C ATOM 252 OH TYR A 247 -5.066 -1.201 1.943 1.00 15.00 O ATOM 0 H TYR A 247 0.300 -3.816 2.728 1.00 15.00 H new ATOM 0 HA TYR A 247 1.889 -3.426 0.306 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -0.144 -3.463 -0.859 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -0.302 -4.702 0.371 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -0.989 -1.027 0.069 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -2.399 -4.812 1.402 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -3.045 0.027 0.812 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.493 -3.759 2.161 1.00 15.00 H new ATOM 0 HH TYR A 247 -5.822 -1.607 1.469 1.00 15.00 H new ATOM 262 N TYR A 248 1.531 -0.973 -0.084 1.00 15.00 N ATOM 263 CA TYR A 248 1.523 0.468 -0.239 1.00 15.00 C ATOM 264 C TYR A 248 0.536 0.885 -1.324 1.00 15.00 C ATOM 265 O TYR A 248 0.693 0.529 -2.484 1.00 15.00 O ATOM 266 CB TYR A 248 2.935 0.931 -0.522 1.00 15.00 C ATOM 267 CG TYR A 248 3.731 1.114 0.741 1.00 15.00 C ATOM 268 CD1 TYR A 248 4.344 0.030 1.369 1.00 15.00 C ATOM 269 CD2 TYR A 248 3.896 2.380 1.305 1.00 15.00 C ATOM 270 CE1 TYR A 248 5.085 0.206 2.515 1.00 15.00 C ATOM 271 CE2 TYR A 248 4.641 2.551 2.436 1.00 15.00 C ATOM 272 CZ TYR A 248 5.235 1.467 3.042 1.00 15.00 C ATOM 273 OH TYR A 248 5.986 1.649 4.178 1.00 15.00 O ATOM 0 H TYR A 248 1.944 -1.469 -0.874 1.00 15.00 H new ATOM 0 HA TYR A 248 1.185 0.949 0.679 1.00 15.00 H new ATOM 0 HB2 TYR A 248 3.434 0.204 -1.163 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.905 1.872 -1.071 1.00 15.00 H new ATOM 0 HD1 TYR A 248 4.236 -0.960 0.951 1.00 15.00 H new ATOM 0 HD2 TYR A 248 3.428 3.235 0.841 1.00 15.00 H new ATOM 0 HE1 TYR A 248 5.547 -0.642 2.998 1.00 15.00 H new ATOM 0 HE2 TYR A 248 4.765 3.538 2.856 1.00 15.00 H new ATOM 0 HH TYR A 248 5.700 1.011 4.865 1.00 15.00 H new ATOM 283 N ILE A 249 -0.504 1.620 -0.940 1.00 15.00 N ATOM 284 CA ILE A 249 -1.428 2.192 -1.918 1.00 15.00 C ATOM 285 C ILE A 249 -1.554 3.689 -1.719 1.00 15.00 C ATOM 286 O ILE A 249 -1.549 4.187 -0.591 1.00 15.00 O ATOM 287 CB ILE A 249 -2.841 1.583 -1.868 1.00 15.00 C ATOM 288 CG1 ILE A 249 -3.466 1.777 -0.487 1.00 15.00 C ATOM 289 CG2 ILE A 249 -2.815 0.119 -2.262 1.00 15.00 C ATOM 290 CD1 ILE A 249 -4.813 1.114 -0.353 1.00 15.00 C ATOM 0 H ILE A 249 -0.728 1.833 0.032 1.00 15.00 H new ATOM 0 HA ILE A 249 -0.997 1.957 -2.891 1.00 15.00 H new ATOM 0 HB ILE A 249 -3.464 2.108 -2.592 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -2.793 1.376 0.270 1.00 15.00 H new ATOM 0 HG13 ILE A 249 -3.570 2.844 -0.288 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -3.825 -0.287 -2.218 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -2.428 0.022 -3.276 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.173 -0.431 -1.575 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -5.206 1.287 0.649 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -5.499 1.533 -1.089 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -4.709 0.042 -0.522 1.00 15.00 H new ATOM 302 N ASN A 250 -1.660 4.404 -2.818 1.00 15.00 N ATOM 303 CA ASN A 250 -1.755 5.846 -2.768 1.00 15.00 C ATOM 304 C ASN A 250 -3.000 6.305 -3.499 1.00 15.00 C ATOM 305 O ASN A 250 -3.251 5.881 -4.629 1.00 15.00 O ATOM 306 CB ASN A 250 -0.519 6.478 -3.408 1.00 15.00 C ATOM 307 CG ASN A 250 -0.354 7.946 -3.054 1.00 15.00 C ATOM 308 OD1 ASN A 250 -1.315 8.634 -2.724 1.00 15.00 O ATOM 309 ND2 ASN A 250 0.868 8.438 -3.131 1.00 15.00 N ATOM 0 H ASN A 250 -1.683 4.009 -3.758 1.00 15.00 H new ATOM 0 HA ASN A 250 -1.813 6.159 -1.725 1.00 15.00 H new ATOM 0 HB2 ASN A 250 0.368 5.931 -3.090 1.00 15.00 H new ATOM 0 HB3 ASN A 250 -0.585 6.376 -4.491 1.00 15.00 H new ATOM 0 HD21 ASN A 250 1.037 9.420 -2.913 1.00 15.00 H new ATOM 0 HD22 ASN A 250 1.643 7.836 -3.409 1.00 15.00 H new ATOM 316 N HIS A 251 -3.761 7.181 -2.856 1.00 15.00 N ATOM 317 CA HIS A 251 -4.949 7.767 -3.467 1.00 15.00 C ATOM 318 C HIS A 251 -4.563 8.880 -4.428 1.00 15.00 C ATOM 319 O HIS A 251 -5.356 9.293 -5.269 1.00 15.00 O ATOM 320 CB HIS A 251 -5.911 8.292 -2.399 1.00 15.00 C ATOM 321 CG HIS A 251 -6.827 7.245 -1.834 1.00 15.00 C ATOM 322 ND1 HIS A 251 -6.417 6.262 -0.956 1.00 15.00 N ATOM 323 CD2 HIS A 251 -8.152 7.042 -2.023 1.00 15.00 C ATOM 324 CE1 HIS A 251 -7.451 5.509 -0.628 1.00 15.00 C ATOM 325 NE2 HIS A 251 -8.522 5.959 -1.260 1.00 15.00 N ATOM 0 H HIS A 251 -3.576 7.503 -1.906 1.00 15.00 H new ATOM 0 HA HIS A 251 -5.459 6.985 -4.030 1.00 15.00 H new ATOM 0 HB2 HIS A 251 -5.331 8.730 -1.586 1.00 15.00 H new ATOM 0 HB3 HIS A 251 -6.513 9.093 -2.829 1.00 15.00 H new ATOM 0 HD2 HIS A 251 -8.802 7.625 -2.659 1.00 15.00 H new ATOM 0 HE1 HIS A 251 -7.426 4.665 0.045 1.00 15.00 H new ATOM 0 HE2 HIS A 251 -9.462 5.569 -1.193 1.00 15.00 H new ATOM 334 N LYS A 252 -3.340 9.374 -4.289 1.00 15.00 N ATOM 335 CA LYS A 252 -2.825 10.380 -5.200 1.00 15.00 C ATOM 336 C LYS A 252 -2.083 9.705 -6.349 1.00 15.00 C ATOM 337 O LYS A 252 -1.944 10.274 -7.428 1.00 15.00 O ATOM 338 CB LYS A 252 -1.900 11.359 -4.473 1.00 15.00 C ATOM 339 CG LYS A 252 -2.485 11.914 -3.180 1.00 15.00 C ATOM 340 CD LYS A 252 -1.641 13.050 -2.616 1.00 15.00 C ATOM 341 CE LYS A 252 -0.185 12.647 -2.429 1.00 15.00 C ATOM 342 NZ LYS A 252 0.642 13.771 -1.917 1.00 15.00 N1+ ATOM 0 H LYS A 252 -2.690 9.094 -3.555 1.00 15.00 H new ATOM 0 HA LYS A 252 -3.666 10.947 -5.599 1.00 15.00 H new ATOM 0 HB2 LYS A 252 -0.959 10.857 -4.249 1.00 15.00 H new ATOM 0 HB3 LYS A 252 -1.667 12.188 -5.141 1.00 15.00 H new ATOM 0 HG2 LYS A 252 -3.498 12.271 -3.364 1.00 15.00 H new ATOM 0 HG3 LYS A 252 -2.558 11.115 -2.442 1.00 15.00 H new ATOM 0 HD2 LYS A 252 -1.695 13.908 -3.286 1.00 15.00 H new ATOM 0 HD3 LYS A 252 -2.054 13.367 -1.658 1.00 15.00 H new ATOM 0 HE2 LYS A 252 -0.127 11.809 -1.735 1.00 15.00 H new ATOM 0 HE3 LYS A 252 0.221 12.302 -3.380 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 1.626 13.454 -1.804 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 0.608 14.562 -2.591 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 0.271 14.084 -0.997 1.00 15.00 H new ATOM 356 N ASN A 253 -1.605 8.486 -6.101 1.00 15.00 N ATOM 357 CA ASN A 253 -0.917 7.707 -7.130 1.00 15.00 C ATOM 358 C ASN A 253 -1.895 6.793 -7.852 1.00 15.00 C ATOM 359 O ASN A 253 -1.610 6.312 -8.946 1.00 15.00 O ATOM 360 CB ASN A 253 0.244 6.885 -6.543 1.00 15.00 C ATOM 361 CG ASN A 253 1.469 7.735 -6.240 1.00 15.00 C ATOM 362 OD1 ASN A 253 1.358 8.928 -5.958 1.00 15.00 O ATOM 363 ND2 ASN A 253 2.645 7.127 -6.298 1.00 15.00 N ATOM 0 H ASN A 253 -1.681 8.017 -5.198 1.00 15.00 H new ATOM 0 HA ASN A 253 -0.496 8.413 -7.846 1.00 15.00 H new ATOM 0 HB2 ASN A 253 -0.089 6.395 -5.628 1.00 15.00 H new ATOM 0 HB3 ASN A 253 0.518 6.097 -7.245 1.00 15.00 H new ATOM 0 HD21 ASN A 253 3.499 7.650 -6.105 1.00 15.00 H new ATOM 0 HD22 ASN A 253 2.696 6.136 -6.535 1.00 15.00 H new ATOM 370 N LYS A 254 -3.040 6.541 -7.210 1.00 15.00 N ATOM 371 CA LYS A 254 -4.132 5.779 -7.817 1.00 15.00 C ATOM 372 C LYS A 254 -3.718 4.319 -8.056 1.00 15.00 C ATOM 373 O LYS A 254 -4.260 3.639 -8.926 1.00 15.00 O ATOM 374 CB LYS A 254 -4.547 6.460 -9.133 1.00 15.00 C ATOM 375 CG LYS A 254 -5.810 5.899 -9.772 1.00 15.00 C ATOM 376 CD LYS A 254 -6.126 6.601 -11.082 1.00 15.00 C ATOM 377 CE LYS A 254 -6.415 8.075 -10.863 1.00 15.00 C ATOM 378 NZ LYS A 254 -6.662 8.784 -12.145 1.00 15.00 N1+ ATOM 0 H LYS A 254 -3.234 6.858 -6.260 1.00 15.00 H new ATOM 0 HA LYS A 254 -4.984 5.764 -7.137 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -4.694 7.524 -8.945 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -3.727 6.372 -9.845 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -5.686 4.831 -9.950 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -6.649 6.012 -9.085 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -5.286 6.491 -11.768 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -6.986 6.126 -11.553 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -7.284 8.183 -10.214 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -5.574 8.538 -10.348 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -6.856 9.788 -11.955 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -5.823 8.703 -12.754 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -7.481 8.358 -12.625 1.00 15.00 H new ATOM 392 N THR A 255 -2.802 3.809 -7.245 1.00 15.00 N ATOM 393 CA THR A 255 -2.271 2.473 -7.500 1.00 15.00 C ATOM 394 C THR A 255 -1.840 1.723 -6.280 1.00 15.00 C ATOM 395 O THR A 255 -1.455 2.282 -5.247 1.00 15.00 O ATOM 396 CB THR A 255 -1.128 2.401 -8.524 1.00 15.00 C ATOM 397 OG1 THR A 255 -0.561 1.084 -8.579 1.00 15.00 O ATOM 398 CG2 THR A 255 -0.026 3.408 -8.231 1.00 15.00 C ATOM 0 H THR A 255 -2.418 4.282 -6.427 1.00 15.00 H new ATOM 0 HA THR A 255 -3.151 1.991 -7.926 1.00 15.00 H new ATOM 0 HB THR A 255 -1.570 2.647 -9.490 1.00 15.00 H new ATOM 0 HG1 THR A 255 0.163 1.067 -9.240 1.00 15.00 H new ATOM 0 HG21 THR A 255 0.759 3.318 -8.982 1.00 15.00 H new ATOM 0 HG22 THR A 255 -0.439 4.417 -8.256 1.00 15.00 H new ATOM 0 HG23 THR A 255 0.393 3.212 -7.244 1.00 15.00 H new ATOM 406 N THR A 256 -1.957 0.438 -6.451 1.00 15.00 N ATOM 407 CA THR A 256 -1.584 -0.530 -5.443 1.00 15.00 C ATOM 408 C THR A 256 -0.211 -1.129 -5.761 1.00 15.00 C ATOM 409 O THR A 256 -0.023 -1.776 -6.793 1.00 15.00 O ATOM 410 CB THR A 256 -2.617 -1.661 -5.345 1.00 15.00 C ATOM 411 OG1 THR A 256 -3.917 -1.111 -5.092 1.00 15.00 O ATOM 412 CG2 THR A 256 -2.240 -2.631 -4.235 1.00 15.00 C ATOM 0 H THR A 256 -2.320 0.019 -7.307 1.00 15.00 H new ATOM 0 HA THR A 256 -1.545 -0.008 -4.487 1.00 15.00 H new ATOM 0 HB THR A 256 -2.633 -2.203 -6.290 1.00 15.00 H new ATOM 0 HG1 THR A 256 -4.322 -1.569 -4.326 1.00 15.00 H new ATOM 0 HG21 THR A 256 -2.983 -3.427 -4.179 1.00 15.00 H new ATOM 0 HG22 THR A 256 -1.261 -3.062 -4.446 1.00 15.00 H new ATOM 0 HG23 THR A 256 -2.205 -2.100 -3.284 1.00 15.00 H new ATOM 420 N SER A 257 0.736 -0.898 -4.871 1.00 15.00 N ATOM 421 CA SER A 257 2.091 -1.391 -5.021 1.00 15.00 C ATOM 422 C SER A 257 2.452 -2.235 -3.792 1.00 15.00 C ATOM 423 O SER A 257 2.116 -1.869 -2.669 1.00 15.00 O ATOM 424 CB SER A 257 3.039 -0.195 -5.189 1.00 15.00 C ATOM 425 OG SER A 257 4.354 -0.615 -5.524 1.00 15.00 O ATOM 0 H SER A 257 0.585 -0.359 -4.018 1.00 15.00 H new ATOM 0 HA SER A 257 2.182 -2.023 -5.904 1.00 15.00 H new ATOM 0 HB2 SER A 257 2.658 0.466 -5.967 1.00 15.00 H new ATOM 0 HB3 SER A 257 3.065 0.383 -4.265 1.00 15.00 H new ATOM 0 HG SER A 257 4.932 0.170 -5.626 1.00 15.00 H new ATOM 431 N TRP A 258 3.135 -3.358 -4.006 1.00 15.00 N ATOM 432 CA TRP A 258 3.364 -4.345 -2.941 1.00 15.00 C ATOM 433 C TRP A 258 4.133 -3.798 -1.742 1.00 15.00 C ATOM 434 O TRP A 258 3.575 -3.597 -0.671 1.00 15.00 O ATOM 435 CB TRP A 258 4.153 -5.543 -3.474 1.00 15.00 C ATOM 436 CG TRP A 258 3.316 -6.619 -4.079 1.00 15.00 C ATOM 437 CD1 TRP A 258 3.475 -7.177 -5.310 1.00 15.00 C ATOM 438 CD2 TRP A 258 2.188 -7.267 -3.484 1.00 15.00 C ATOM 439 NE1 TRP A 258 2.532 -8.146 -5.513 1.00 15.00 N ATOM 440 CE2 TRP A 258 1.726 -8.216 -4.412 1.00 15.00 C ATOM 441 CE3 TRP A 258 1.522 -7.142 -2.260 1.00 15.00 C ATOM 442 CZ2 TRP A 258 0.638 -9.033 -4.159 1.00 15.00 C ATOM 443 CZ3 TRP A 258 0.428 -7.950 -2.016 1.00 15.00 C ATOM 444 CH2 TRP A 258 0.001 -8.887 -2.967 1.00 15.00 C ATOM 0 H TRP A 258 3.542 -3.611 -4.906 1.00 15.00 H new ATOM 0 HA TRP A 258 2.366 -4.631 -2.609 1.00 15.00 H new ATOM 0 HB2 TRP A 258 4.863 -5.190 -4.222 1.00 15.00 H new ATOM 0 HB3 TRP A 258 4.735 -5.970 -2.658 1.00 15.00 H new ATOM 0 HD1 TRP A 258 4.236 -6.895 -6.023 1.00 15.00 H new ATOM 0 HE1 TRP A 258 2.445 -8.723 -6.350 1.00 15.00 H new ATOM 0 HE3 TRP A 258 1.856 -6.429 -1.521 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 0.306 -9.762 -4.884 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -0.105 -7.858 -1.081 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -0.855 -9.508 -2.747 1.00 15.00 H new ATOM 455 N LEU A 259 5.405 -3.531 -1.957 1.00 15.00 N ATOM 456 CA LEU A 259 6.367 -3.398 -0.874 1.00 15.00 C ATOM 457 C LEU A 259 6.906 -1.984 -0.713 1.00 15.00 C ATOM 458 O LEU A 259 6.810 -1.166 -1.630 1.00 15.00 O ATOM 459 CB LEU A 259 7.504 -4.397 -0.995 1.00 15.00 C ATOM 460 CG LEU A 259 7.371 -5.615 -0.077 1.00 15.00 C ATOM 461 CD1 LEU A 259 8.691 -6.357 -0.035 1.00 15.00 C ATOM 462 CD2 LEU A 259 6.951 -5.195 1.330 1.00 15.00 C ATOM 0 H LEU A 259 5.804 -3.399 -2.886 1.00 15.00 H new ATOM 0 HA LEU A 259 5.809 -3.625 0.034 1.00 15.00 H new ATOM 0 HB2 LEU A 259 7.563 -4.740 -2.028 1.00 15.00 H new ATOM 0 HB3 LEU A 259 8.443 -3.890 -0.773 1.00 15.00 H new ATOM 0 HG LEU A 259 6.597 -6.273 -0.473 1.00 15.00 H new ATOM 0 HD11 LEU A 259 8.600 -7.225 0.618 1.00 15.00 H new ATOM 0 HD12 LEU A 259 8.956 -6.685 -1.040 1.00 15.00 H new ATOM 0 HD13 LEU A 259 9.468 -5.695 0.347 1.00 15.00 H new ATOM 0 HD21 LEU A 259 6.864 -6.078 1.963 1.00 15.00 H new ATOM 0 HD22 LEU A 259 7.700 -4.522 1.748 1.00 15.00 H new ATOM 0 HD23 LEU A 259 5.989 -4.684 1.285 1.00 15.00 H new ATOM 474 N ASP A 260 7.477 -1.715 0.468 1.00 15.00 N ATOM 475 CA ASP A 260 7.732 -0.371 0.938 1.00 15.00 C ATOM 476 C ASP A 260 8.635 0.407 -0.005 1.00 15.00 C ATOM 477 O ASP A 260 9.768 0.028 -0.293 1.00 15.00 O ATOM 478 CB ASP A 260 8.353 -0.424 2.343 1.00 15.00 C ATOM 479 CG ASP A 260 9.645 -1.218 2.425 1.00 15.00 C ATOM 480 OD1 ASP A 260 9.641 -2.417 2.065 1.00 15.00 O ATOM 481 OD2 ASP A 260 10.653 -0.660 2.903 1.00 15.00 O1- ATOM 0 H ASP A 260 7.773 -2.440 1.122 1.00 15.00 H new ATOM 0 HA ASP A 260 6.777 0.154 0.974 1.00 15.00 H new ATOM 0 HB2 ASP A 260 8.544 0.594 2.682 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.629 -0.859 3.032 1.00 15.00 H new ATOM 486 N PRO A 261 8.100 1.541 -0.486 1.00 15.00 N ATOM 487 CA PRO A 261 8.712 2.385 -1.488 1.00 15.00 C ATOM 488 C PRO A 261 9.723 3.297 -0.936 1.00 15.00 C ATOM 489 O PRO A 261 10.449 4.056 -1.574 1.00 15.00 O ATOM 490 CB PRO A 261 7.529 3.037 -2.189 1.00 15.00 C ATOM 491 CG PRO A 261 6.543 3.220 -1.077 1.00 15.00 C ATOM 492 CD PRO A 261 6.796 2.097 -0.091 1.00 15.00 C ATOM 0 HA PRO A 261 9.318 1.834 -2.207 1.00 15.00 H new ATOM 0 HB2 PRO A 261 7.804 3.988 -2.646 1.00 15.00 H new ATOM 0 HB3 PRO A 261 7.131 2.405 -2.983 1.00 15.00 H new ATOM 0 HG2 PRO A 261 6.672 4.192 -0.600 1.00 15.00 H new ATOM 0 HG3 PRO A 261 5.521 3.183 -1.454 1.00 15.00 H new ATOM 0 HD2 PRO A 261 6.817 2.467 0.934 1.00 15.00 H new ATOM 0 HD3 PRO A 261 6.012 1.342 -0.141 1.00 15.00 H new ATOM 500 N ARG A 262 9.633 3.174 0.267 1.00 15.00 N ATOM 501 CA ARG A 262 10.365 3.951 1.263 1.00 15.00 C ATOM 502 C ARG A 262 11.810 3.466 1.313 1.00 15.00 C ATOM 503 O ARG A 262 12.689 4.127 1.869 1.00 15.00 O ATOM 504 CB ARG A 262 9.734 3.788 2.647 1.00 15.00 C ATOM 505 CG ARG A 262 9.900 2.377 3.180 1.00 15.00 C ATOM 506 CD ARG A 262 9.412 2.201 4.607 1.00 15.00 C ATOM 507 NE ARG A 262 9.550 0.803 5.019 1.00 15.00 N ATOM 508 CZ ARG A 262 9.113 0.296 6.170 1.00 15.00 C ATOM 509 NH1 ARG A 262 8.592 1.090 7.098 1.00 15.00 N1+ ATOM 510 NH2 ARG A 262 9.219 -1.011 6.395 1.00 15.00 N ATOM 0 H ARG A 262 9.010 2.487 0.691 1.00 15.00 H new ATOM 0 HA ARG A 262 10.328 5.004 0.982 1.00 15.00 H new ATOM 0 HB2 ARG A 262 10.191 4.494 3.340 1.00 15.00 H new ATOM 0 HB3 ARG A 262 8.673 4.034 2.594 1.00 15.00 H new ATOM 0 HG2 ARG A 262 9.358 1.688 2.533 1.00 15.00 H new ATOM 0 HG3 ARG A 262 10.953 2.101 3.129 1.00 15.00 H new ATOM 0 HD2 ARG A 262 9.984 2.843 5.277 1.00 15.00 H new ATOM 0 HD3 ARG A 262 8.369 2.509 4.683 1.00 15.00 H new ATOM 0 HE ARG A 262 10.018 0.167 4.373 1.00 15.00 H new ATOM 0 HH11 ARG A 262 8.525 2.094 6.931 1.00 15.00 H new ATOM 0 HH12 ARG A 262 8.259 0.696 7.978 1.00 15.00 H new ATOM 0 HH21 ARG A 262 9.633 -1.618 5.688 1.00 15.00 H new ATOM 0 HH22 ARG A 262 8.886 -1.406 7.275 1.00 15.00 H new ATOM 524 N LEU A 263 12.025 2.290 0.739 1.00 15.00 N ATOM 525 CA LEU A 263 13.308 1.623 0.779 1.00 15.00 C ATOM 526 C LEU A 263 14.054 1.869 -0.527 1.00 15.00 C ATOM 527 O LEU A 263 15.118 2.521 -0.489 1.00 15.00 O ATOM 528 CB LEU A 263 13.095 0.118 1.022 1.00 15.00 C ATOM 529 CG LEU A 263 14.325 -0.671 1.499 1.00 15.00 C ATOM 530 CD1 LEU A 263 15.259 -0.989 0.340 1.00 15.00 C ATOM 531 CD2 LEU A 263 15.066 0.104 2.581 1.00 15.00 C ATOM 532 OXT LEU A 263 13.557 1.435 -1.586 1.00 15.00 O ATOM 0 H LEU A 263 11.307 1.774 0.231 1.00 15.00 H new ATOM 0 HA LEU A 263 13.910 2.022 1.595 1.00 15.00 H new ATOM 0 HB2 LEU A 263 12.303 -0.001 1.761 1.00 15.00 H new ATOM 0 HB3 LEU A 263 12.737 -0.332 0.096 1.00 15.00 H new ATOM 0 HG LEU A 263 13.977 -1.615 1.919 1.00 15.00 H new ATOM 0 HD11 LEU A 263 16.119 -1.547 0.709 1.00 15.00 H new ATOM 0 HD12 LEU A 263 14.729 -1.587 -0.401 1.00 15.00 H new ATOM 0 HD13 LEU A 263 15.599 -0.060 -0.119 1.00 15.00 H new ATOM 0 HD21 LEU A 263 15.934 -0.468 2.908 1.00 15.00 H new ATOM 0 HD22 LEU A 263 15.393 1.064 2.182 1.00 15.00 H new ATOM 0 HD23 LEU A 263 14.401 0.271 3.429 1.00 15.00 H new TER 544 LEU A 263 ATOM 545 N THR B 222 2.529 -12.434 -7.698 1.00 15.00 N ATOM 546 CA THR B 222 1.085 -12.326 -7.395 1.00 15.00 C ATOM 547 C THR B 222 0.631 -10.872 -7.422 1.00 15.00 C ATOM 548 O THR B 222 1.434 -9.963 -7.205 1.00 15.00 O ATOM 549 CB THR B 222 0.769 -12.925 -6.012 1.00 15.00 C ATOM 550 OG1 THR B 222 1.748 -12.492 -5.059 1.00 15.00 O ATOM 551 CG2 THR B 222 0.739 -14.441 -6.067 1.00 15.00 C ATOM 0 HA THR B 222 0.548 -12.885 -8.162 1.00 15.00 H new ATOM 0 HB THR B 222 -0.217 -12.575 -5.706 1.00 15.00 H new ATOM 0 HG1 THR B 222 2.628 -12.451 -5.489 1.00 15.00 H new ATOM 0 HG21 THR B 222 0.514 -14.837 -5.077 1.00 15.00 H new ATOM 0 HG22 THR B 222 -0.028 -14.764 -6.770 1.00 15.00 H new ATOM 0 HG23 THR B 222 1.710 -14.813 -6.394 1.00 15.00 H new ATOM 561 N PRO B 223 -0.653 -10.626 -7.725 1.00 15.00 N ATOM 562 CA PRO B 223 -1.234 -9.291 -7.655 1.00 15.00 C ATOM 563 C PRO B 223 -1.776 -8.981 -6.248 1.00 15.00 C ATOM 564 O PRO B 223 -2.233 -9.897 -5.561 1.00 15.00 O ATOM 565 CB PRO B 223 -2.375 -9.376 -8.666 1.00 15.00 C ATOM 566 CG PRO B 223 -2.819 -10.803 -8.636 1.00 15.00 C ATOM 567 CD PRO B 223 -1.634 -11.627 -8.186 1.00 15.00 C ATOM 0 HA PRO B 223 -0.514 -8.500 -7.864 1.00 15.00 H new ATOM 0 HB2 PRO B 223 -3.190 -8.704 -8.397 1.00 15.00 H new ATOM 0 HB3 PRO B 223 -2.040 -9.088 -9.663 1.00 15.00 H new ATOM 0 HG2 PRO B 223 -3.659 -10.931 -7.953 1.00 15.00 H new ATOM 0 HG3 PRO B 223 -3.158 -11.122 -9.622 1.00 15.00 H new ATOM 0 HD2 PRO B 223 -1.908 -12.315 -7.386 1.00 15.00 H new ATOM 0 HD3 PRO B 223 -1.235 -12.230 -9.002 1.00 15.00 H new ATOM 575 N PRO B 224 -1.772 -7.707 -5.785 1.00 15.00 N ATOM 576 CA PRO B 224 -2.303 -7.345 -4.481 1.00 15.00 C ATOM 577 C PRO B 224 -3.761 -6.905 -4.600 1.00 15.00 C ATOM 578 O PRO B 224 -4.326 -6.927 -5.697 1.00 15.00 O ATOM 579 CB PRO B 224 -1.399 -6.163 -4.069 1.00 15.00 C ATOM 580 CG PRO B 224 -0.793 -5.647 -5.342 1.00 15.00 C ATOM 581 CD PRO B 224 -1.342 -6.486 -6.464 1.00 15.00 C ATOM 0 HA PRO B 224 -2.299 -8.163 -3.761 1.00 15.00 H new ATOM 0 HB2 PRO B 224 -1.976 -5.386 -3.568 1.00 15.00 H new ATOM 0 HB3 PRO B 224 -0.626 -6.486 -3.371 1.00 15.00 H new ATOM 0 HG2 PRO B 224 -1.042 -4.596 -5.489 1.00 15.00 H new ATOM 0 HG3 PRO B 224 0.294 -5.715 -5.306 1.00 15.00 H new ATOM 0 HD2 PRO B 224 -2.172 -5.991 -6.968 1.00 15.00 H new ATOM 0 HD3 PRO B 224 -0.586 -6.691 -7.222 1.00 15.00 H new ATOM 589 N PRO B 225 -4.406 -6.534 -3.484 1.00 15.00 N ATOM 590 CA PRO B 225 -5.727 -5.905 -3.523 1.00 15.00 C ATOM 591 C PRO B 225 -5.773 -4.749 -4.526 1.00 15.00 C ATOM 592 O PRO B 225 -4.786 -4.042 -4.706 1.00 15.00 O ATOM 593 CB PRO B 225 -5.896 -5.385 -2.095 1.00 15.00 C ATOM 594 CG PRO B 225 -5.101 -6.325 -1.260 1.00 15.00 C ATOM 595 CD PRO B 225 -3.924 -6.731 -2.101 1.00 15.00 C ATOM 0 HA PRO B 225 -6.513 -6.591 -3.838 1.00 15.00 H new ATOM 0 HB2 PRO B 225 -5.531 -4.363 -1.999 1.00 15.00 H new ATOM 0 HB3 PRO B 225 -6.944 -5.378 -1.796 1.00 15.00 H new ATOM 0 HG2 PRO B 225 -4.774 -5.846 -0.337 1.00 15.00 H new ATOM 0 HG3 PRO B 225 -5.696 -7.193 -0.976 1.00 15.00 H new ATOM 0 HD2 PRO B 225 -3.048 -6.117 -1.890 1.00 15.00 H new ATOM 0 HD3 PRO B 225 -3.638 -7.767 -1.919 1.00 15.00 H new ATOM 603 N ALA B 226 -6.918 -4.565 -5.173 1.00 15.00 N ATOM 604 CA ALA B 226 -7.105 -3.477 -6.138 1.00 15.00 C ATOM 605 C ALA B 226 -6.899 -2.106 -5.484 1.00 15.00 C ATOM 606 O ALA B 226 -6.605 -2.019 -4.293 1.00 15.00 O ATOM 607 CB ALA B 226 -8.492 -3.563 -6.759 1.00 15.00 C ATOM 0 H ALA B 226 -7.739 -5.157 -5.048 1.00 15.00 H new ATOM 0 HA ALA B 226 -6.354 -3.588 -6.920 1.00 15.00 H new ATOM 0 HB1 ALA B 226 -8.621 -2.751 -7.474 1.00 15.00 H new ATOM 0 HB2 ALA B 226 -8.603 -4.519 -7.271 1.00 15.00 H new ATOM 0 HB3 ALA B 226 -9.247 -3.481 -5.977 1.00 15.00 H new ATOM 613 N TYR B 227 -7.049 -1.033 -6.258 1.00 15.00 N ATOM 614 CA TYR B 227 -6.918 0.307 -5.701 1.00 15.00 C ATOM 615 C TYR B 227 -8.111 0.577 -4.786 1.00 15.00 C ATOM 616 O TYR B 227 -9.272 0.548 -5.191 1.00 15.00 O ATOM 617 CB TYR B 227 -6.761 1.355 -6.817 1.00 15.00 C ATOM 618 CG TYR B 227 -6.896 2.787 -6.354 1.00 15.00 C ATOM 619 CD1 TYR B 227 -6.263 3.224 -5.199 1.00 15.00 C ATOM 620 CD2 TYR B 227 -7.645 3.705 -7.080 1.00 15.00 C ATOM 621 CE1 TYR B 227 -6.373 4.530 -4.777 1.00 15.00 C ATOM 622 CE2 TYR B 227 -7.761 5.019 -6.665 1.00 15.00 C ATOM 623 CZ TYR B 227 -7.124 5.425 -5.514 1.00 15.00 C ATOM 624 OH TYR B 227 -7.233 6.731 -5.097 1.00 15.00 O ATOM 0 H TYR B 227 -7.258 -1.065 -7.256 1.00 15.00 H new ATOM 0 HA TYR B 227 -6.011 0.380 -5.101 1.00 15.00 H new ATOM 0 HB2 TYR B 227 -5.784 1.228 -7.283 1.00 15.00 H new ATOM 0 HB3 TYR B 227 -7.509 1.163 -7.586 1.00 15.00 H new ATOM 0 HD1 TYR B 227 -5.674 2.528 -4.621 1.00 15.00 H new ATOM 0 HD2 TYR B 227 -8.145 3.387 -7.983 1.00 15.00 H new ATOM 0 HE1 TYR B 227 -5.875 4.853 -3.875 1.00 15.00 H new ATOM 0 HE2 TYR B 227 -8.347 5.721 -7.239 1.00 15.00 H new ATOM 0 HH TYR B 227 -7.795 7.230 -5.726 1.00 15.00 H new ATOM 634 N LEU B 228 -7.757 0.848 -3.546 1.00 15.00 N ATOM 635 CA LEU B 228 -8.581 0.590 -2.379 1.00 15.00 C ATOM 636 C LEU B 228 -8.276 1.607 -1.285 1.00 15.00 C ATOM 637 O LEU B 228 -7.198 2.188 -1.299 1.00 15.00 O ATOM 638 CB LEU B 228 -8.369 -0.835 -1.850 1.00 15.00 C ATOM 639 CG LEU B 228 -9.069 -1.938 -2.651 1.00 15.00 C ATOM 640 CD1 LEU B 228 -8.791 -3.302 -2.041 1.00 15.00 C ATOM 641 CD2 LEU B 228 -10.567 -1.683 -2.719 1.00 15.00 C ATOM 0 H LEU B 228 -6.857 1.268 -3.314 1.00 15.00 H new ATOM 0 HA LEU B 228 -9.625 0.686 -2.677 1.00 15.00 H new ATOM 0 HB2 LEU B 228 -7.299 -1.044 -1.832 1.00 15.00 H new ATOM 0 HB3 LEU B 228 -8.719 -0.879 -0.819 1.00 15.00 H new ATOM 0 HG LEU B 228 -8.671 -1.926 -3.666 1.00 15.00 H new ATOM 0 HD11 LEU B 228 -9.297 -4.071 -2.624 1.00 15.00 H new ATOM 0 HD12 LEU B 228 -7.717 -3.491 -2.045 1.00 15.00 H new ATOM 0 HD13 LEU B 228 -9.159 -3.324 -1.015 1.00 15.00 H new ATOM 0 HD21 LEU B 228 -11.046 -2.477 -3.292 1.00 15.00 H new ATOM 0 HD22 LEU B 228 -10.979 -1.664 -1.710 1.00 15.00 H new ATOM 0 HD23 LEU B 228 -10.751 -0.724 -3.204 1.00 15.00 H new ATOM 653 N PRO B 229 -9.213 1.937 -0.383 1.00 15.00 N ATOM 654 CA PRO B 229 -8.858 2.754 0.767 1.00 15.00 C ATOM 655 C PRO B 229 -8.378 1.827 1.891 1.00 15.00 C ATOM 656 O PRO B 229 -8.839 0.692 2.011 1.00 15.00 O ATOM 657 CB PRO B 229 -10.186 3.429 1.159 1.00 15.00 C ATOM 658 CG PRO B 229 -11.235 2.867 0.248 1.00 15.00 C ATOM 659 CD PRO B 229 -10.651 1.640 -0.399 1.00 15.00 C ATOM 0 HA PRO B 229 -8.068 3.479 0.571 1.00 15.00 H new ATOM 0 HB2 PRO B 229 -10.430 3.228 2.202 1.00 15.00 H new ATOM 0 HB3 PRO B 229 -10.118 4.511 1.051 1.00 15.00 H new ATOM 0 HG2 PRO B 229 -12.136 2.615 0.808 1.00 15.00 H new ATOM 0 HG3 PRO B 229 -11.523 3.600 -0.506 1.00 15.00 H new ATOM 0 HD2 PRO B 229 -10.886 0.734 0.160 1.00 15.00 H new ATOM 0 HD3 PRO B 229 -11.026 1.496 -1.412 1.00 15.00 H new ATOM 667 N PRO B 230 -7.471 2.315 2.754 1.00 15.00 N ATOM 668 CA PRO B 230 -6.433 1.496 3.381 1.00 15.00 C ATOM 669 C PRO B 230 -6.841 0.839 4.690 1.00 15.00 C ATOM 670 O PRO B 230 -7.648 1.363 5.462 1.00 15.00 O ATOM 671 CB PRO B 230 -5.305 2.509 3.637 1.00 15.00 C ATOM 672 CG PRO B 230 -5.860 3.863 3.298 1.00 15.00 C ATOM 673 CD PRO B 230 -7.349 3.704 3.179 1.00 15.00 C ATOM 0 HA PRO B 230 -6.172 0.654 2.740 1.00 15.00 H new ATOM 0 HB2 PRO B 230 -4.980 2.473 4.677 1.00 15.00 H new ATOM 0 HB3 PRO B 230 -4.434 2.282 3.023 1.00 15.00 H new ATOM 0 HG2 PRO B 230 -5.609 4.588 4.072 1.00 15.00 H new ATOM 0 HG3 PRO B 230 -5.435 4.233 2.365 1.00 15.00 H new ATOM 0 HD2 PRO B 230 -7.856 3.887 4.126 1.00 15.00 H new ATOM 0 HD3 PRO B 230 -7.776 4.393 2.450 1.00 15.00 H new ATOM 681 N GLU B 231 -6.225 -0.314 4.933 1.00 15.00 N ATOM 682 CA GLU B 231 -6.716 -1.264 5.926 1.00 15.00 C ATOM 683 C GLU B 231 -5.802 -1.336 7.136 1.00 15.00 C ATOM 684 O GLU B 231 -4.588 -1.155 7.042 1.00 15.00 O ATOM 685 CB GLU B 231 -6.958 -2.658 5.318 1.00 15.00 C ATOM 686 CG GLU B 231 -6.025 -3.056 4.202 1.00 15.00 C ATOM 687 CD GLU B 231 -6.576 -4.200 3.373 1.00 15.00 C ATOM 688 OE1 GLU B 231 -7.567 -3.991 2.642 1.00 15.00 O1- ATOM 689 OE2 GLU B 231 -6.031 -5.317 3.455 1.00 15.00 O ATOM 0 H GLU B 231 -5.378 -0.615 4.451 1.00 15.00 H new ATOM 0 HA GLU B 231 -7.681 -0.891 6.270 1.00 15.00 H new ATOM 0 HB2 GLU B 231 -6.881 -3.399 6.113 1.00 15.00 H new ATOM 0 HB3 GLU B 231 -7.981 -2.698 4.943 1.00 15.00 H new ATOM 0 HG2 GLU B 231 -5.846 -2.196 3.557 1.00 15.00 H new ATOM 0 HG3 GLU B 231 -5.062 -3.345 4.622 1.00 15.00 H new ATOM 696 N ASP B 232 -6.406 -1.635 8.268 1.00 15.00 N ATOM 697 CA ASP B 232 -5.770 -1.433 9.567 1.00 15.00 C ATOM 698 C ASP B 232 -5.389 -2.737 10.296 1.00 15.00 C ATOM 699 O ASP B 232 -4.328 -2.787 10.916 1.00 15.00 O ATOM 700 CB ASP B 232 -6.686 -0.590 10.459 1.00 15.00 C ATOM 701 CG ASP B 232 -6.026 -0.189 11.761 1.00 15.00 C ATOM 702 OD1 ASP B 232 -5.190 0.736 11.741 1.00 15.00 O ATOM 703 OD2 ASP B 232 -6.361 -0.773 12.811 1.00 15.00 O1- ATOM 0 H ASP B 232 -7.348 -2.024 8.321 1.00 15.00 H new ATOM 0 HA ASP B 232 -4.831 -0.915 9.369 1.00 15.00 H new ATOM 0 HB2 ASP B 232 -6.988 0.307 9.918 1.00 15.00 H new ATOM 0 HB3 ASP B 232 -7.594 -1.153 10.675 1.00 15.00 H new ATOM 708 N PRO B 233 -6.240 -3.793 10.286 1.00 15.00 N ATOM 709 CA PRO B 233 -5.969 -5.020 11.046 1.00 15.00 C ATOM 710 C PRO B 233 -4.839 -5.860 10.447 1.00 15.00 C ATOM 711 O PRO B 233 -5.131 -6.771 9.643 1.00 15.00 O ATOM 712 CB PRO B 233 -7.295 -5.798 10.991 1.00 15.00 C ATOM 713 CG PRO B 233 -8.293 -4.864 10.393 1.00 15.00 C ATOM 714 CD PRO B 233 -7.513 -3.897 9.559 1.00 15.00 C ATOM 715 OXT PRO B 233 -3.667 -5.627 10.814 1.00 15.00 O ATOM 0 HA PRO B 233 -5.639 -4.785 12.058 1.00 15.00 H new ATOM 0 HB2 PRO B 233 -7.194 -6.700 10.388 1.00 15.00 H new ATOM 0 HB3 PRO B 233 -7.604 -6.114 11.987 1.00 15.00 H new ATOM 0 HG2 PRO B 233 -9.018 -5.406 9.785 1.00 15.00 H new ATOM 0 HG3 PRO B 233 -8.854 -4.344 11.170 1.00 15.00 H new ATOM 0 HD2 PRO B 233 -7.370 -4.264 8.543 1.00 15.00 H new ATOM 0 HD3 PRO B 233 -8.015 -2.932 9.482 1.00 15.00 H new TER 723 PRO B 233