USER MOD reduce.3.24.130724 H: found=0, std=0, add=344, rem=0, adj=10 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 HE2:sc= -2.55! K(o=-3.5!,f=-1.6) USER MOD Set 1.2: B 227 TYR OH : rot 180:sc= -0.928 USER MOD Set 2.1: A 250 ASN : amide:sc= -1.07 K(o=-2,f=-13!) USER MOD Set 2.2: A 253 ASN : amide:sc= -0.97! C(o=-2!,f=-9.6!) USER MOD Single : A 238 GLN : amide:sc= -1.36 K(o=-1.4,f=-2.9) 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= -6.51! K(o=-6.5!,f=-1.4) USER MOD Single : A 247 TYR OH : rot 130:sc= -1.97! USER MOD Single : A 248 TYR OH : rot 120:sc= 0 USER MOD Single : A 252 LYS NZ :NH3+ -172:sc= 1.15 (180deg=0.977) USER MOD Single : A 254 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 255 THR OG1 : rot -170:sc= -2! USER MOD Single : A 256 THR OG1 : rot 68:sc= -1.53 USER MOD Single : A 257 SER OG : rot 180:sc= 0 USER MOD Single : B 222 THR OG1 : rot 19:sc= 0.825 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 230 6.313 4.047 8.769 1.00 15.00 N ATOM 2 CA GLY A 230 7.385 4.356 7.792 1.00 15.00 C ATOM 3 C GLY A 230 7.217 5.731 7.186 1.00 15.00 C ATOM 4 O GLY A 230 6.191 6.377 7.403 1.00 15.00 O ATOM 0 HA2 GLY A 230 8.355 4.293 8.285 1.00 15.00 H new ATOM 0 HA3 GLY A 230 7.381 3.607 7.000 1.00 15.00 H new ATOM 8 N PRO A 231 8.203 6.207 6.414 1.00 15.00 N ATOM 9 CA PRO A 231 8.176 7.498 5.767 1.00 15.00 C ATOM 10 C PRO A 231 7.819 7.334 4.300 1.00 15.00 C ATOM 11 O PRO A 231 8.650 6.896 3.501 1.00 15.00 O ATOM 12 CB PRO A 231 9.636 7.956 5.927 1.00 15.00 C ATOM 13 CG PRO A 231 10.426 6.695 6.196 1.00 15.00 C ATOM 14 CD PRO A 231 9.453 5.548 6.068 1.00 15.00 C ATOM 0 HA PRO A 231 7.448 8.198 6.178 1.00 15.00 H new ATOM 0 HB2 PRO A 231 9.991 8.457 5.027 1.00 15.00 H new ATOM 0 HB3 PRO A 231 9.737 8.666 6.748 1.00 15.00 H new ATOM 0 HG2 PRO A 231 11.245 6.591 5.485 1.00 15.00 H new ATOM 0 HG3 PRO A 231 10.869 6.719 7.191 1.00 15.00 H new ATOM 0 HD2 PRO A 231 9.435 5.132 5.061 1.00 15.00 H new ATOM 0 HD3 PRO A 231 9.689 4.729 6.747 1.00 15.00 H new ATOM 22 N LEU A 232 6.579 7.607 3.940 1.00 15.00 N ATOM 23 CA LEU A 232 6.134 7.245 2.610 1.00 15.00 C ATOM 24 C LEU A 232 6.507 8.318 1.621 1.00 15.00 C ATOM 25 O LEU A 232 6.738 9.467 1.999 1.00 15.00 O ATOM 26 CB LEU A 232 4.627 6.959 2.499 1.00 15.00 C ATOM 27 CG LEU A 232 4.056 5.859 3.407 1.00 15.00 C ATOM 28 CD1 LEU A 232 5.130 5.160 4.232 1.00 15.00 C ATOM 29 CD2 LEU A 232 2.998 6.417 4.328 1.00 15.00 C ATOM 0 H LEU A 232 5.882 8.063 4.529 1.00 15.00 H new ATOM 0 HA LEU A 232 6.646 6.310 2.382 1.00 15.00 H new ATOM 0 HB2 LEU A 232 4.090 7.884 2.710 1.00 15.00 H new ATOM 0 HB3 LEU A 232 4.408 6.692 1.465 1.00 15.00 H new ATOM 0 HG LEU A 232 3.612 5.117 2.744 1.00 15.00 H new ATOM 0 HD11 LEU A 232 4.669 4.393 4.854 1.00 15.00 H new ATOM 0 HD12 LEU A 232 5.858 4.697 3.565 1.00 15.00 H new ATOM 0 HD13 LEU A 232 5.633 5.889 4.867 1.00 15.00 H new ATOM 0 HD21 LEU A 232 2.609 5.619 4.961 1.00 15.00 H new ATOM 0 HD22 LEU A 232 3.434 7.196 4.953 1.00 15.00 H new ATOM 0 HD23 LEU A 232 2.186 6.839 3.736 1.00 15.00 H new ATOM 41 N PRO A 233 6.540 7.972 0.332 1.00 15.00 N ATOM 42 CA PRO A 233 6.962 8.906 -0.707 1.00 15.00 C ATOM 43 C PRO A 233 6.047 10.127 -0.783 1.00 15.00 C ATOM 44 O PRO A 233 6.505 11.262 -0.893 1.00 15.00 O ATOM 45 CB PRO A 233 6.851 8.078 -1.980 1.00 15.00 C ATOM 46 CG PRO A 233 6.880 6.642 -1.530 1.00 15.00 C ATOM 47 CD PRO A 233 6.142 6.661 -0.236 1.00 15.00 C ATOM 0 HA PRO A 233 7.960 9.305 -0.526 1.00 15.00 H new ATOM 0 HB2 PRO A 233 5.928 8.303 -2.515 1.00 15.00 H new ATOM 0 HB3 PRO A 233 7.675 8.293 -2.661 1.00 15.00 H new ATOM 0 HG2 PRO A 233 6.399 5.986 -2.255 1.00 15.00 H new ATOM 0 HG3 PRO A 233 7.901 6.283 -1.403 1.00 15.00 H new ATOM 0 HD2 PRO A 233 5.064 6.590 -0.381 1.00 15.00 H new ATOM 0 HD3 PRO A 233 6.432 5.832 0.410 1.00 15.00 H new ATOM 55 N ASP A 234 4.749 9.870 -0.742 1.00 15.00 N ATOM 56 CA ASP A 234 3.743 10.927 -0.746 1.00 15.00 C ATOM 57 C ASP A 234 3.008 10.976 0.588 1.00 15.00 C ATOM 58 O ASP A 234 2.220 11.887 0.846 1.00 15.00 O ATOM 59 CB ASP A 234 2.730 10.714 -1.875 1.00 15.00 C ATOM 60 CG ASP A 234 3.339 10.841 -3.256 1.00 15.00 C ATOM 61 OD1 ASP A 234 4.006 9.887 -3.708 1.00 15.00 O ATOM 62 OD2 ASP A 234 3.134 11.884 -3.907 1.00 15.00 O1- ATOM 0 H ASP A 234 4.362 8.927 -0.705 1.00 15.00 H new ATOM 0 HA ASP A 234 4.260 11.873 -0.907 1.00 15.00 H new ATOM 0 HB2 ASP A 234 2.283 9.725 -1.772 1.00 15.00 H new ATOM 0 HB3 ASP A 234 1.924 11.440 -1.773 1.00 15.00 H new ATOM 67 N GLY A 235 3.247 9.971 1.421 1.00 15.00 N ATOM 68 CA GLY A 235 2.465 9.800 2.627 1.00 15.00 C ATOM 69 C GLY A 235 1.259 8.927 2.371 1.00 15.00 C ATOM 70 O GLY A 235 0.128 9.304 2.674 1.00 15.00 O ATOM 0 H GLY A 235 3.973 9.268 1.280 1.00 15.00 H new ATOM 0 HA2 GLY A 235 3.083 9.353 3.405 1.00 15.00 H new ATOM 0 HA3 GLY A 235 2.142 10.773 2.996 1.00 15.00 H new ATOM 74 N TRP A 236 1.507 7.756 1.798 1.00 15.00 N ATOM 75 CA TRP A 236 0.443 6.843 1.419 1.00 15.00 C ATOM 76 C TRP A 236 0.541 5.501 2.129 1.00 15.00 C ATOM 77 O TRP A 236 1.626 4.982 2.334 1.00 15.00 O ATOM 78 CB TRP A 236 0.376 6.683 -0.078 1.00 15.00 C ATOM 79 CG TRP A 236 1.650 6.405 -0.838 1.00 15.00 C ATOM 80 CD1 TRP A 236 2.729 7.231 -1.081 1.00 15.00 C ATOM 81 CD2 TRP A 236 1.922 5.208 -1.572 1.00 15.00 C ATOM 82 NE1 TRP A 236 3.535 6.649 -1.995 1.00 15.00 N ATOM 83 CE2 TRP A 236 3.099 5.407 -2.278 1.00 15.00 C ATOM 84 CE3 TRP A 236 1.281 3.999 -1.723 1.00 15.00 C ATOM 85 CZ2 TRP A 236 3.642 4.448 -3.122 1.00 15.00 C ATOM 86 CZ3 TRP A 236 1.848 3.061 -2.571 1.00 15.00 C ATOM 87 CH2 TRP A 236 3.003 3.285 -3.249 1.00 15.00 C ATOM 0 H TRP A 236 2.445 7.417 1.585 1.00 15.00 H new ATOM 0 HA TRP A 236 -0.494 7.291 1.750 1.00 15.00 H new ATOM 0 HB2 TRP A 236 -0.320 5.872 -0.292 1.00 15.00 H new ATOM 0 HB3 TRP A 236 -0.061 7.594 -0.488 1.00 15.00 H new ATOM 0 HD1 TRP A 236 2.901 8.190 -0.615 1.00 15.00 H new ATOM 0 HE1 TRP A 236 4.356 7.088 -2.411 1.00 15.00 H new ATOM 0 HE3 TRP A 236 0.363 3.788 -1.196 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 4.558 4.639 -3.661 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 1.350 2.111 -2.698 1.00 15.00 H new ATOM 0 HH2 TRP A 236 3.406 2.518 -3.894 1.00 15.00 H new ATOM 98 N GLU A 237 -0.598 4.855 2.345 1.00 15.00 N ATOM 99 CA GLU A 237 -0.791 4.028 3.530 1.00 15.00 C ATOM 100 C GLU A 237 -0.344 2.603 3.334 1.00 15.00 C ATOM 101 O GLU A 237 -0.540 1.976 2.290 1.00 15.00 O ATOM 102 CB GLU A 237 -2.277 4.035 3.908 1.00 15.00 C ATOM 103 CG GLU A 237 -2.682 3.128 5.073 1.00 15.00 C ATOM 104 CD GLU A 237 -2.083 3.583 6.392 1.00 15.00 C ATOM 105 OE1 GLU A 237 -0.893 3.304 6.649 1.00 15.00 O1- ATOM 106 OE2 GLU A 237 -2.798 4.250 7.169 1.00 15.00 O ATOM 0 H GLU A 237 -1.401 4.887 1.717 1.00 15.00 H new ATOM 0 HA GLU A 237 -0.176 4.454 4.323 1.00 15.00 H new ATOM 0 HB2 GLU A 237 -2.563 5.058 4.154 1.00 15.00 H new ATOM 0 HB3 GLU A 237 -2.855 3.745 3.031 1.00 15.00 H new ATOM 0 HG2 GLU A 237 -3.769 3.111 5.157 1.00 15.00 H new ATOM 0 HG3 GLU A 237 -2.362 2.107 4.864 1.00 15.00 H new ATOM 113 N GLN A 238 0.223 2.128 4.420 1.00 15.00 N ATOM 114 CA GLN A 238 0.847 0.826 4.513 1.00 15.00 C ATOM 115 C GLN A 238 0.139 0.031 5.590 1.00 15.00 C ATOM 116 O GLN A 238 0.183 0.379 6.771 1.00 15.00 O ATOM 117 CB GLN A 238 2.348 0.968 4.823 1.00 15.00 C ATOM 118 CG GLN A 238 3.112 -0.352 4.916 1.00 15.00 C ATOM 119 CD GLN A 238 3.081 -0.975 6.302 1.00 15.00 C ATOM 120 OE1 GLN A 238 2.214 -1.789 6.617 1.00 15.00 O ATOM 121 NE2 GLN A 238 4.030 -0.591 7.142 1.00 15.00 N ATOM 0 H GLN A 238 0.264 2.655 5.293 1.00 15.00 H new ATOM 0 HA GLN A 238 0.761 0.302 3.561 1.00 15.00 H new ATOM 0 HB2 GLN A 238 2.807 1.584 4.050 1.00 15.00 H new ATOM 0 HB3 GLN A 238 2.461 1.504 5.766 1.00 15.00 H new ATOM 0 HG2 GLN A 238 2.691 -1.058 4.200 1.00 15.00 H new ATOM 0 HG3 GLN A 238 4.149 -0.184 4.625 1.00 15.00 H new ATOM 0 HE21 GLN A 238 4.732 0.086 6.844 1.00 15.00 H new ATOM 0 HE22 GLN A 238 4.059 -0.973 8.087 1.00 15.00 H new ATOM 130 N ALA A 239 -0.533 -1.017 5.179 1.00 15.00 N ATOM 131 CA ALA A 239 -1.331 -1.806 6.088 1.00 15.00 C ATOM 132 C ALA A 239 -1.127 -3.283 5.813 1.00 15.00 C ATOM 133 O ALA A 239 -0.826 -3.674 4.684 1.00 15.00 O ATOM 134 CB ALA A 239 -2.792 -1.418 5.969 1.00 15.00 C ATOM 0 H ALA A 239 -0.543 -1.346 4.213 1.00 15.00 H new ATOM 0 HA ALA A 239 -1.013 -1.608 7.112 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -3.385 -2.019 6.658 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -2.909 -0.362 6.214 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -3.133 -1.594 4.949 1.00 15.00 H new ATOM 140 N MET A 240 -1.263 -4.092 6.848 1.00 15.00 N ATOM 141 CA MET A 240 -1.000 -5.514 6.737 1.00 15.00 C ATOM 142 C MET A 240 -2.256 -6.262 6.340 1.00 15.00 C ATOM 143 O MET A 240 -3.246 -6.264 7.063 1.00 15.00 O ATOM 144 CB MET A 240 -0.481 -6.070 8.061 1.00 15.00 C ATOM 145 CG MET A 240 0.822 -5.448 8.511 1.00 15.00 C ATOM 146 SD MET A 240 1.442 -6.168 10.041 1.00 15.00 S ATOM 147 CE MET A 240 2.955 -5.232 10.237 1.00 15.00 C ATOM 0 H MET A 240 -1.555 -3.787 7.777 1.00 15.00 H new ATOM 0 HA MET A 240 -0.242 -5.653 5.966 1.00 15.00 H new ATOM 0 HB2 MET A 240 -1.235 -5.911 8.832 1.00 15.00 H new ATOM 0 HB3 MET A 240 -0.345 -7.147 7.965 1.00 15.00 H new ATOM 0 HG2 MET A 240 1.569 -5.572 7.727 1.00 15.00 H new ATOM 0 HG3 MET A 240 0.680 -4.376 8.650 1.00 15.00 H new ATOM 0 HE1 MET A 240 3.467 -5.554 11.143 1.00 15.00 H new ATOM 0 HE2 MET A 240 3.601 -5.400 9.375 1.00 15.00 H new ATOM 0 HE3 MET A 240 2.719 -4.170 10.312 1.00 15.00 H new ATOM 157 N THR A 241 -2.189 -6.910 5.196 1.00 15.00 N ATOM 158 CA THR A 241 -3.294 -7.697 4.697 1.00 15.00 C ATOM 159 C THR A 241 -3.166 -9.126 5.211 1.00 15.00 C ATOM 160 O THR A 241 -2.052 -9.609 5.446 1.00 15.00 O ATOM 161 CB THR A 241 -3.363 -7.685 3.150 1.00 15.00 C ATOM 162 OG1 THR A 241 -4.539 -8.373 2.704 1.00 15.00 O ATOM 163 CG2 THR A 241 -2.132 -8.336 2.533 1.00 15.00 C ATOM 0 H THR A 241 -1.370 -6.905 4.589 1.00 15.00 H new ATOM 0 HA THR A 241 -4.220 -7.253 5.062 1.00 15.00 H new ATOM 0 HB THR A 241 -3.400 -6.644 2.828 1.00 15.00 H new ATOM 0 HG1 THR A 241 -4.575 -8.359 1.725 1.00 15.00 H new ATOM 0 HG21 THR A 241 -2.213 -8.311 1.446 1.00 15.00 H new ATOM 0 HG22 THR A 241 -1.239 -7.793 2.843 1.00 15.00 H new ATOM 0 HG23 THR A 241 -2.062 -9.371 2.867 1.00 15.00 H new ATOM 171 N GLN A 242 -4.308 -9.785 5.386 1.00 15.00 N ATOM 172 CA GLN A 242 -4.375 -11.098 6.032 1.00 15.00 C ATOM 173 C GLN A 242 -3.551 -12.144 5.294 1.00 15.00 C ATOM 174 O GLN A 242 -3.125 -13.137 5.880 1.00 15.00 O ATOM 175 CB GLN A 242 -5.817 -11.579 6.093 1.00 15.00 C ATOM 176 CG GLN A 242 -6.804 -10.596 6.719 1.00 15.00 C ATOM 177 CD GLN A 242 -6.548 -10.283 8.192 1.00 15.00 C ATOM 178 OE1 GLN A 242 -7.488 -10.090 8.959 1.00 15.00 O ATOM 179 NE2 GLN A 242 -5.290 -10.185 8.593 1.00 15.00 N ATOM 0 H GLN A 242 -5.214 -9.426 5.085 1.00 15.00 H new ATOM 0 HA GLN A 242 -3.966 -10.977 7.035 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -6.150 -11.808 5.081 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -5.849 -12.511 6.658 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -6.776 -9.664 6.154 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -7.811 -11.000 6.617 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -4.530 -10.351 7.933 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -5.081 -9.944 9.562 1.00 15.00 H new ATOM 188 N ASP A 243 -3.369 -11.921 4.002 1.00 15.00 N ATOM 189 CA ASP A 243 -2.507 -12.769 3.167 1.00 15.00 C ATOM 190 C ASP A 243 -1.067 -12.762 3.687 1.00 15.00 C ATOM 191 O ASP A 243 -0.242 -13.604 3.331 1.00 15.00 O ATOM 192 CB ASP A 243 -2.521 -12.259 1.734 1.00 15.00 C ATOM 193 CG ASP A 243 -1.842 -13.206 0.761 1.00 15.00 C ATOM 194 OD1 ASP A 243 -1.998 -14.435 0.914 1.00 15.00 O ATOM 195 OD2 ASP A 243 -1.177 -12.726 -0.182 1.00 15.00 O1- ATOM 0 H ASP A 243 -3.809 -11.152 3.496 1.00 15.00 H new ATOM 0 HA ASP A 243 -2.890 -13.789 3.205 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -3.553 -12.102 1.420 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -2.025 -11.289 1.694 1.00 15.00 H new ATOM 200 N GLY A 244 -0.787 -11.791 4.530 1.00 15.00 N ATOM 201 CA GLY A 244 0.502 -11.689 5.179 1.00 15.00 C ATOM 202 C GLY A 244 1.491 -10.862 4.393 1.00 15.00 C ATOM 203 O GLY A 244 2.624 -11.277 4.174 1.00 15.00 O ATOM 0 H GLY A 244 -1.444 -11.053 4.784 1.00 15.00 H new ATOM 0 HA2 GLY A 244 0.372 -11.248 6.167 1.00 15.00 H new ATOM 0 HA3 GLY A 244 0.909 -12.689 5.327 1.00 15.00 H new ATOM 207 N GLU A 245 1.045 -9.683 3.987 1.00 15.00 N ATOM 208 CA GLU A 245 1.912 -8.693 3.342 1.00 15.00 C ATOM 209 C GLU A 245 1.545 -7.312 3.827 1.00 15.00 C ATOM 210 O GLU A 245 0.390 -7.051 4.146 1.00 15.00 O ATOM 211 CB GLU A 245 1.773 -8.700 1.812 1.00 15.00 C ATOM 212 CG GLU A 245 2.515 -9.835 1.118 1.00 15.00 C ATOM 213 CD GLU A 245 4.017 -9.783 1.333 1.00 15.00 C ATOM 214 OE1 GLU A 245 4.638 -8.750 1.008 1.00 15.00 O1- ATOM 215 OE2 GLU A 245 4.589 -10.776 1.827 1.00 15.00 O ATOM 0 H GLU A 245 0.077 -9.381 4.092 1.00 15.00 H new ATOM 0 HA GLU A 245 2.938 -8.954 3.602 1.00 15.00 H new ATOM 0 HB2 GLU A 245 0.715 -8.763 1.556 1.00 15.00 H new ATOM 0 HB3 GLU A 245 2.139 -7.750 1.422 1.00 15.00 H new ATOM 0 HG2 GLU A 245 2.134 -10.788 1.485 1.00 15.00 H new ATOM 0 HG3 GLU A 245 2.305 -9.798 0.049 1.00 15.00 H new ATOM 222 N ILE A 246 2.513 -6.429 3.866 1.00 15.00 N ATOM 223 CA ILE A 246 2.213 -5.026 4.007 1.00 15.00 C ATOM 224 C ILE A 246 2.060 -4.474 2.603 1.00 15.00 C ATOM 225 O ILE A 246 2.649 -5.017 1.672 1.00 15.00 O ATOM 226 CB ILE A 246 3.304 -4.257 4.804 1.00 15.00 C ATOM 227 CG1 ILE A 246 4.651 -4.210 4.066 1.00 15.00 C ATOM 228 CG2 ILE A 246 3.489 -4.887 6.177 1.00 15.00 C ATOM 229 CD1 ILE A 246 4.767 -3.083 3.066 1.00 15.00 C ATOM 0 H ILE A 246 3.506 -6.654 3.803 1.00 15.00 H new ATOM 0 HA ILE A 246 1.298 -4.896 4.585 1.00 15.00 H new ATOM 0 HB ILE A 246 2.957 -3.229 4.910 1.00 15.00 H new ATOM 0 HG12 ILE A 246 5.452 -4.115 4.799 1.00 15.00 H new ATOM 0 HG13 ILE A 246 4.803 -5.157 3.549 1.00 15.00 H new ATOM 0 HG21 ILE A 246 4.255 -4.341 6.727 1.00 15.00 H new ATOM 0 HG22 ILE A 246 2.548 -4.845 6.726 1.00 15.00 H new ATOM 0 HG23 ILE A 246 3.796 -5.927 6.062 1.00 15.00 H new ATOM 0 HD11 ILE A 246 5.746 -3.120 2.589 1.00 15.00 H new ATOM 0 HD12 ILE A 246 3.990 -3.187 2.309 1.00 15.00 H new ATOM 0 HD13 ILE A 246 4.649 -2.128 3.578 1.00 15.00 H new ATOM 241 N TYR A 247 1.244 -3.458 2.425 1.00 15.00 N ATOM 242 CA TYR A 247 1.062 -2.899 1.100 1.00 15.00 C ATOM 243 C TYR A 247 1.027 -1.382 1.159 1.00 15.00 C ATOM 244 O TYR A 247 0.631 -0.795 2.162 1.00 15.00 O ATOM 245 CB TYR A 247 -0.197 -3.460 0.409 1.00 15.00 C ATOM 246 CG TYR A 247 -1.505 -2.891 0.909 1.00 15.00 C ATOM 247 CD1 TYR A 247 -1.786 -1.537 0.786 1.00 15.00 C ATOM 248 CD2 TYR A 247 -2.456 -3.706 1.497 1.00 15.00 C ATOM 249 CE1 TYR A 247 -2.953 -1.003 1.235 1.00 15.00 C ATOM 250 CE2 TYR A 247 -3.647 -3.186 1.957 1.00 15.00 C ATOM 251 CZ TYR A 247 -3.893 -1.824 1.828 1.00 15.00 C ATOM 252 OH TYR A 247 -5.083 -1.294 2.272 1.00 15.00 O ATOM 0 H TYR A 247 0.704 -3.008 3.164 1.00 15.00 H new ATOM 0 HA TYR A 247 1.918 -3.198 0.495 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -0.121 -3.270 -0.662 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -0.214 -4.542 0.541 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -1.057 -0.890 0.321 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -2.263 -4.764 1.597 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -3.144 0.055 1.129 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.383 -3.831 2.414 1.00 15.00 H new ATOM 0 HH TYR A 247 -5.828 -1.829 1.928 1.00 15.00 H new ATOM 262 N TYR A 248 1.466 -0.779 0.082 1.00 15.00 N ATOM 263 CA TYR A 248 1.390 0.652 -0.131 1.00 15.00 C ATOM 264 C TYR A 248 0.315 0.988 -1.169 1.00 15.00 C ATOM 265 O TYR A 248 0.380 0.529 -2.311 1.00 15.00 O ATOM 266 CB TYR A 248 2.765 1.143 -0.533 1.00 15.00 C ATOM 267 CG TYR A 248 3.643 1.397 0.660 1.00 15.00 C ATOM 268 CD1 TYR A 248 4.348 0.361 1.265 1.00 15.00 C ATOM 269 CD2 TYR A 248 3.783 2.678 1.184 1.00 15.00 C ATOM 270 CE1 TYR A 248 5.160 0.600 2.353 1.00 15.00 C ATOM 271 CE2 TYR A 248 4.596 2.911 2.258 1.00 15.00 C ATOM 272 CZ TYR A 248 5.284 1.874 2.843 1.00 15.00 C ATOM 273 OH TYR A 248 6.099 2.112 3.926 1.00 15.00 O ATOM 0 H TYR A 248 1.898 -1.280 -0.694 1.00 15.00 H new ATOM 0 HA TYR A 248 1.093 1.163 0.785 1.00 15.00 H new ATOM 0 HB2 TYR A 248 3.238 0.405 -1.181 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.667 2.061 -1.113 1.00 15.00 H new ATOM 0 HD1 TYR A 248 4.258 -0.643 0.877 1.00 15.00 H new ATOM 0 HD2 TYR A 248 3.242 3.499 0.737 1.00 15.00 H new ATOM 0 HE1 TYR A 248 5.697 -0.214 2.818 1.00 15.00 H new ATOM 0 HE2 TYR A 248 4.698 3.913 2.648 1.00 15.00 H new ATOM 0 HH TYR A 248 6.802 2.746 3.673 1.00 15.00 H new ATOM 283 N ILE A 249 -0.693 1.772 -0.757 1.00 15.00 N ATOM 284 CA ILE A 249 -1.680 2.324 -1.696 1.00 15.00 C ATOM 285 C ILE A 249 -1.775 3.836 -1.559 1.00 15.00 C ATOM 286 O ILE A 249 -1.808 4.378 -0.448 1.00 15.00 O ATOM 287 CB ILE A 249 -3.100 1.745 -1.530 1.00 15.00 C ATOM 288 CG1 ILE A 249 -3.642 1.967 -0.116 1.00 15.00 C ATOM 289 CG2 ILE A 249 -3.131 0.280 -1.898 1.00 15.00 C ATOM 290 CD1 ILE A 249 -4.967 1.281 0.114 1.00 15.00 C ATOM 0 H ILE A 249 -0.845 2.037 0.216 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.313 2.038 -2.682 1.00 15.00 H new ATOM 0 HB ILE A 249 -3.754 2.283 -2.216 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -2.916 1.599 0.609 1.00 15.00 H new ATOM 0 HG13 ILE A 249 -3.755 3.036 0.062 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -4.143 -0.105 -1.773 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -2.823 0.159 -2.936 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.450 -0.272 -1.251 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -5.304 1.472 1.133 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -5.704 1.667 -0.590 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -4.851 0.207 -0.034 1.00 15.00 H new ATOM 302 N ASN A 250 -1.817 4.519 -2.691 1.00 15.00 N ATOM 303 CA ASN A 250 -1.864 5.972 -2.695 1.00 15.00 C ATOM 304 C ASN A 250 -3.068 6.464 -3.471 1.00 15.00 C ATOM 305 O ASN A 250 -3.312 6.017 -4.592 1.00 15.00 O ATOM 306 CB ASN A 250 -0.603 6.552 -3.333 1.00 15.00 C ATOM 307 CG ASN A 250 -0.400 8.023 -2.998 1.00 15.00 C ATOM 308 OD1 ASN A 250 -1.309 8.697 -2.523 1.00 15.00 O ATOM 309 ND2 ASN A 250 0.785 8.537 -3.274 1.00 15.00 N ATOM 0 H ASN A 250 -1.820 4.092 -3.617 1.00 15.00 H new ATOM 0 HA ASN A 250 -1.934 6.302 -1.658 1.00 15.00 H new ATOM 0 HB2 ASN A 250 0.264 5.984 -2.997 1.00 15.00 H new ATOM 0 HB3 ASN A 250 -0.661 6.434 -4.415 1.00 15.00 H new ATOM 0 HD21 ASN A 250 0.968 9.524 -3.093 1.00 15.00 H new ATOM 0 HD22 ASN A 250 1.518 7.947 -3.668 1.00 15.00 H new ATOM 316 N HIS A 251 -3.791 7.404 -2.883 1.00 15.00 N ATOM 317 CA HIS A 251 -4.906 8.062 -3.555 1.00 15.00 C ATOM 318 C HIS A 251 -4.395 9.153 -4.489 1.00 15.00 C ATOM 319 O HIS A 251 -5.121 9.643 -5.351 1.00 15.00 O ATOM 320 CB HIS A 251 -5.876 8.651 -2.528 1.00 15.00 C ATOM 321 CG HIS A 251 -6.684 7.622 -1.791 1.00 15.00 C ATOM 322 ND1 HIS A 251 -6.149 6.744 -0.870 1.00 15.00 N ATOM 323 CD2 HIS A 251 -8.006 7.340 -1.846 1.00 15.00 C ATOM 324 CE1 HIS A 251 -7.108 5.973 -0.393 1.00 15.00 C ATOM 325 NE2 HIS A 251 -8.248 6.314 -0.968 1.00 15.00 N ATOM 0 H HIS A 251 -3.625 7.733 -1.932 1.00 15.00 H new ATOM 0 HA HIS A 251 -5.439 7.319 -4.149 1.00 15.00 H new ATOM 0 HB2 HIS A 251 -5.311 9.240 -1.806 1.00 15.00 H new ATOM 0 HB3 HIS A 251 -6.555 9.336 -3.036 1.00 15.00 H new ATOM 0 HD1 HIS A 251 -5.166 6.698 -0.600 1.00 15.00 H new ATOM 0 HD2 HIS A 251 -8.738 7.833 -2.468 1.00 15.00 H new ATOM 0 HE1 HIS A 251 -6.982 5.194 0.344 1.00 15.00 H new ATOM 334 N LYS A 252 -3.142 9.535 -4.290 1.00 15.00 N ATOM 335 CA LYS A 252 -2.479 10.512 -5.143 1.00 15.00 C ATOM 336 C LYS A 252 -1.703 9.799 -6.249 1.00 15.00 C ATOM 337 O LYS A 252 -1.315 10.404 -7.246 1.00 15.00 O ATOM 338 CB LYS A 252 -1.549 11.394 -4.296 1.00 15.00 C ATOM 339 CG LYS A 252 -0.759 12.424 -5.085 1.00 15.00 C ATOM 340 CD LYS A 252 0.041 13.324 -4.160 1.00 15.00 C ATOM 341 CE LYS A 252 0.942 14.272 -4.933 1.00 15.00 C ATOM 342 NZ LYS A 252 2.053 13.559 -5.620 1.00 15.00 N1+ ATOM 0 H LYS A 252 -2.557 9.178 -3.535 1.00 15.00 H new ATOM 0 HA LYS A 252 -3.226 11.152 -5.612 1.00 15.00 H new ATOM 0 HB2 LYS A 252 -2.146 11.911 -3.545 1.00 15.00 H new ATOM 0 HB3 LYS A 252 -0.850 10.752 -3.761 1.00 15.00 H new ATOM 0 HG2 LYS A 252 -0.086 11.918 -5.777 1.00 15.00 H new ATOM 0 HG3 LYS A 252 -1.440 13.027 -5.685 1.00 15.00 H new ATOM 0 HD2 LYS A 252 -0.641 13.900 -3.535 1.00 15.00 H new ATOM 0 HD3 LYS A 252 0.646 12.712 -3.492 1.00 15.00 H new ATOM 0 HE2 LYS A 252 0.349 14.813 -5.670 1.00 15.00 H new ATOM 0 HE3 LYS A 252 1.356 15.014 -4.250 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 2.716 14.253 -6.020 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 2.554 12.956 -4.936 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 1.667 12.969 -6.384 1.00 15.00 H new ATOM 356 N ASN A 253 -1.474 8.503 -6.060 1.00 15.00 N ATOM 357 CA ASN A 253 -0.788 7.694 -7.066 1.00 15.00 C ATOM 358 C ASN A 253 -1.774 6.816 -7.816 1.00 15.00 C ATOM 359 O ASN A 253 -1.504 6.395 -8.942 1.00 15.00 O ATOM 360 CB ASN A 253 0.311 6.818 -6.444 1.00 15.00 C ATOM 361 CG ASN A 253 1.595 7.579 -6.182 1.00 15.00 C ATOM 362 OD1 ASN A 253 2.307 7.294 -5.218 1.00 15.00 O ATOM 363 ND2 ASN A 253 1.908 8.537 -7.042 1.00 15.00 N ATOM 0 H ASN A 253 -1.752 7.990 -5.223 1.00 15.00 H new ATOM 0 HA ASN A 253 -0.318 8.387 -7.764 1.00 15.00 H new ATOM 0 HB2 ASN A 253 -0.054 6.398 -5.507 1.00 15.00 H new ATOM 0 HB3 ASN A 253 0.521 5.980 -7.109 1.00 15.00 H new ATOM 0 HD21 ASN A 253 2.768 9.072 -6.919 1.00 15.00 H new ATOM 0 HD22 ASN A 253 1.289 8.740 -7.827 1.00 15.00 H new ATOM 370 N LYS A 254 -2.904 6.520 -7.170 1.00 15.00 N ATOM 371 CA LYS A 254 -3.935 5.665 -7.750 1.00 15.00 C ATOM 372 C LYS A 254 -3.354 4.269 -7.991 1.00 15.00 C ATOM 373 O LYS A 254 -3.714 3.578 -8.941 1.00 15.00 O ATOM 374 CB LYS A 254 -4.442 6.303 -9.052 1.00 15.00 C ATOM 375 CG LYS A 254 -5.799 5.802 -9.517 1.00 15.00 C ATOM 376 CD LYS A 254 -6.405 6.748 -10.543 1.00 15.00 C ATOM 377 CE LYS A 254 -6.529 8.159 -9.980 1.00 15.00 C ATOM 378 NZ LYS A 254 -7.070 9.120 -10.975 1.00 15.00 N1+ ATOM 0 H LYS A 254 -3.127 6.865 -6.236 1.00 15.00 H new ATOM 0 HA LYS A 254 -4.781 5.565 -7.070 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -4.496 7.383 -8.915 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -3.712 6.118 -9.840 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -5.695 4.807 -9.951 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -6.469 5.709 -8.662 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -5.785 6.764 -11.439 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -7.388 6.384 -10.842 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -7.178 8.142 -9.105 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -5.550 8.501 -9.644 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -7.136 10.065 -10.545 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -6.438 9.158 -11.800 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -8.016 8.811 -11.277 1.00 15.00 H new ATOM 392 N THR A 255 -2.483 3.847 -7.075 1.00 15.00 N ATOM 393 CA THR A 255 -1.691 2.630 -7.258 1.00 15.00 C ATOM 394 C THR A 255 -1.622 1.801 -5.986 1.00 15.00 C ATOM 395 O THR A 255 -1.693 2.328 -4.872 1.00 15.00 O ATOM 396 CB THR A 255 -0.231 2.928 -7.635 1.00 15.00 C ATOM 397 OG1 THR A 255 -0.106 4.258 -8.139 1.00 15.00 O ATOM 398 CG2 THR A 255 0.330 1.953 -8.659 1.00 15.00 C ATOM 0 H THR A 255 -2.307 4.332 -6.195 1.00 15.00 H new ATOM 0 HA THR A 255 -2.199 2.093 -8.059 1.00 15.00 H new ATOM 0 HB THR A 255 0.348 2.815 -6.719 1.00 15.00 H new ATOM 0 HG1 THR A 255 0.789 4.381 -8.520 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.364 2.216 -8.884 1.00 15.00 H new ATOM 0 HG22 THR A 255 0.293 0.941 -8.256 1.00 15.00 H new ATOM 0 HG23 THR A 255 -0.264 2.002 -9.572 1.00 15.00 H new ATOM 406 N THR A 256 -1.488 0.508 -6.189 1.00 15.00 N ATOM 407 CA THR A 256 -1.242 -0.441 -5.121 1.00 15.00 C ATOM 408 C THR A 256 0.039 -1.220 -5.408 1.00 15.00 C ATOM 409 O THR A 256 0.133 -1.922 -6.416 1.00 15.00 O ATOM 410 CB THR A 256 -2.391 -1.451 -4.975 1.00 15.00 C ATOM 411 OG1 THR A 256 -3.639 -0.760 -4.853 1.00 15.00 O ATOM 412 CG2 THR A 256 -2.168 -2.342 -3.758 1.00 15.00 C ATOM 0 H THR A 256 -1.547 0.079 -7.113 1.00 15.00 H new ATOM 0 HA THR A 256 -1.155 0.130 -4.197 1.00 15.00 H new ATOM 0 HB THR A 256 -2.416 -2.079 -5.866 1.00 15.00 H new ATOM 0 HG1 THR A 256 -3.851 -0.315 -5.700 1.00 15.00 H new ATOM 0 HG21 THR A 256 -2.991 -3.051 -3.670 1.00 15.00 H new ATOM 0 HG22 THR A 256 -1.231 -2.887 -3.873 1.00 15.00 H new ATOM 0 HG23 THR A 256 -2.122 -1.726 -2.860 1.00 15.00 H new ATOM 420 N SER A 257 1.018 -1.091 -4.534 1.00 15.00 N ATOM 421 CA SER A 257 2.257 -1.844 -4.657 1.00 15.00 C ATOM 422 C SER A 257 2.514 -2.572 -3.341 1.00 15.00 C ATOM 423 O SER A 257 2.150 -2.067 -2.289 1.00 15.00 O ATOM 424 CB SER A 257 3.416 -0.903 -4.997 1.00 15.00 C ATOM 425 OG SER A 257 4.600 -1.631 -5.290 1.00 15.00 O ATOM 0 H SER A 257 0.982 -0.469 -3.726 1.00 15.00 H new ATOM 0 HA SER A 257 2.175 -2.573 -5.464 1.00 15.00 H new ATOM 0 HB2 SER A 257 3.146 -0.283 -5.852 1.00 15.00 H new ATOM 0 HB3 SER A 257 3.598 -0.229 -4.160 1.00 15.00 H new ATOM 0 HG SER A 257 5.323 -1.006 -5.505 1.00 15.00 H new ATOM 431 N TRP A 258 3.143 -3.742 -3.402 1.00 15.00 N ATOM 432 CA TRP A 258 3.362 -4.551 -2.200 1.00 15.00 C ATOM 433 C TRP A 258 4.197 -3.810 -1.159 1.00 15.00 C ATOM 434 O TRP A 258 3.696 -3.352 -0.142 1.00 15.00 O ATOM 435 CB TRP A 258 4.097 -5.854 -2.542 1.00 15.00 C ATOM 436 CG TRP A 258 3.303 -6.839 -3.327 1.00 15.00 C ATOM 437 CD1 TRP A 258 3.591 -7.304 -4.573 1.00 15.00 C ATOM 438 CD2 TRP A 258 2.098 -7.488 -2.924 1.00 15.00 C ATOM 439 NE1 TRP A 258 2.649 -8.214 -4.967 1.00 15.00 N ATOM 440 CE2 TRP A 258 1.718 -8.341 -3.976 1.00 15.00 C ATOM 441 CE3 TRP A 258 1.302 -7.434 -1.778 1.00 15.00 C ATOM 442 CZ2 TRP A 258 0.584 -9.129 -3.915 1.00 15.00 C ATOM 443 CZ3 TRP A 258 0.165 -8.216 -1.726 1.00 15.00 C ATOM 444 CH2 TRP A 258 -0.180 -9.053 -2.793 1.00 15.00 C ATOM 0 H TRP A 258 3.509 -4.151 -4.262 1.00 15.00 H new ATOM 0 HA TRP A 258 2.374 -4.764 -1.793 1.00 15.00 H new ATOM 0 HB2 TRP A 258 4.999 -5.608 -3.103 1.00 15.00 H new ATOM 0 HB3 TRP A 258 4.418 -6.327 -1.614 1.00 15.00 H new ATOM 0 HD1 TRP A 258 4.441 -6.999 -5.165 1.00 15.00 H new ATOM 0 HE1 TRP A 258 2.643 -8.715 -5.855 1.00 15.00 H new ATOM 0 HE3 TRP A 258 1.570 -6.794 -0.950 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 0.314 -9.783 -4.731 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -0.466 -8.181 -0.850 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -1.075 -9.653 -2.724 1.00 15.00 H new ATOM 455 N LEU A 259 5.454 -3.633 -1.478 1.00 15.00 N ATOM 456 CA LEU A 259 6.466 -3.335 -0.492 1.00 15.00 C ATOM 457 C LEU A 259 6.927 -1.889 -0.544 1.00 15.00 C ATOM 458 O LEU A 259 6.726 -1.206 -1.548 1.00 15.00 O ATOM 459 CB LEU A 259 7.636 -4.285 -0.606 1.00 15.00 C ATOM 460 CG LEU A 259 7.641 -5.406 0.432 1.00 15.00 C ATOM 461 CD1 LEU A 259 8.952 -6.152 0.318 1.00 15.00 C ATOM 462 CD2 LEU A 259 7.489 -4.839 1.836 1.00 15.00 C ATOM 0 H LEU A 259 5.808 -3.691 -2.433 1.00 15.00 H new ATOM 0 HA LEU A 259 6.002 -3.479 0.484 1.00 15.00 H new ATOM 0 HB2 LEU A 259 7.633 -4.728 -1.602 1.00 15.00 H new ATOM 0 HB3 LEU A 259 8.561 -3.716 -0.513 1.00 15.00 H new ATOM 0 HG LEU A 259 6.803 -6.079 0.248 1.00 15.00 H new ATOM 0 HD11 LEU A 259 8.977 -6.958 1.051 1.00 15.00 H new ATOM 0 HD12 LEU A 259 9.047 -6.570 -0.684 1.00 15.00 H new ATOM 0 HD13 LEU A 259 9.778 -5.466 0.505 1.00 15.00 H new ATOM 0 HD21 LEU A 259 7.495 -5.654 2.560 1.00 15.00 H new ATOM 0 HD22 LEU A 259 8.316 -4.161 2.046 1.00 15.00 H new ATOM 0 HD23 LEU A 259 6.547 -4.296 1.909 1.00 15.00 H new ATOM 474 N ASP A 260 7.554 -1.435 0.545 1.00 15.00 N ATOM 475 CA ASP A 260 7.746 -0.025 0.804 1.00 15.00 C ATOM 476 C ASP A 260 8.537 0.652 -0.309 1.00 15.00 C ATOM 477 O ASP A 260 9.664 0.283 -0.631 1.00 15.00 O ATOM 478 CB ASP A 260 8.441 0.165 2.168 1.00 15.00 C ATOM 479 CG ASP A 260 9.828 -0.461 2.265 1.00 15.00 C ATOM 480 OD1 ASP A 260 9.981 -1.656 1.918 1.00 15.00 O ATOM 481 OD2 ASP A 260 10.758 0.230 2.731 1.00 15.00 O1- ATOM 0 H ASP A 260 7.939 -2.044 1.266 1.00 15.00 H new ATOM 0 HA ASP A 260 6.766 0.452 0.833 1.00 15.00 H new ATOM 0 HB2 ASP A 260 8.523 1.232 2.374 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.808 -0.262 2.946 1.00 15.00 H new ATOM 486 N PRO A 261 7.915 1.690 -0.897 1.00 15.00 N ATOM 487 CA PRO A 261 8.385 2.360 -2.091 1.00 15.00 C ATOM 488 C PRO A 261 9.450 3.328 -1.813 1.00 15.00 C ATOM 489 O PRO A 261 10.088 3.977 -2.638 1.00 15.00 O ATOM 490 CB PRO A 261 7.123 2.939 -2.715 1.00 15.00 C ATOM 491 CG PRO A 261 6.300 3.304 -1.518 1.00 15.00 C ATOM 492 CD PRO A 261 6.666 2.311 -0.429 1.00 15.00 C ATOM 0 HA PRO A 261 8.881 1.689 -2.793 1.00 15.00 H new ATOM 0 HB2 PRO A 261 7.341 3.808 -3.337 1.00 15.00 H new ATOM 0 HB3 PRO A 261 6.615 2.212 -3.349 1.00 15.00 H new ATOM 0 HG2 PRO A 261 6.509 4.325 -1.199 1.00 15.00 H new ATOM 0 HG3 PRO A 261 5.236 3.254 -1.748 1.00 15.00 H new ATOM 0 HD2 PRO A 261 6.806 2.809 0.530 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.881 1.567 -0.291 1.00 15.00 H new ATOM 500 N ARG A 262 9.506 3.379 -0.607 1.00 15.00 N ATOM 501 CA ARG A 262 10.288 4.332 0.161 1.00 15.00 C ATOM 502 C ARG A 262 11.728 3.844 0.278 1.00 15.00 C ATOM 503 O ARG A 262 12.613 4.566 0.740 1.00 15.00 O ATOM 504 CB ARG A 262 9.688 4.513 1.551 1.00 15.00 C ATOM 505 CG ARG A 262 9.627 3.219 2.336 1.00 15.00 C ATOM 506 CD ARG A 262 10.187 3.380 3.733 1.00 15.00 C ATOM 507 NE ARG A 262 11.525 3.970 3.724 1.00 15.00 N ATOM 508 CZ ARG A 262 12.629 3.318 4.082 1.00 15.00 C ATOM 509 NH1 ARG A 262 12.581 2.019 4.346 1.00 15.00 N1+ ATOM 510 NH2 ARG A 262 13.790 3.961 4.129 1.00 15.00 N ATOM 0 H ARG A 262 8.987 2.731 -0.015 1.00 15.00 H new ATOM 0 HA ARG A 262 10.274 5.293 -0.354 1.00 15.00 H new ATOM 0 HB2 ARG A 262 10.280 5.242 2.105 1.00 15.00 H new ATOM 0 HB3 ARG A 262 8.683 4.924 1.457 1.00 15.00 H new ATOM 0 HG2 ARG A 262 8.593 2.879 2.396 1.00 15.00 H new ATOM 0 HG3 ARG A 262 10.186 2.447 1.807 1.00 15.00 H new ATOM 0 HD2 ARG A 262 9.518 4.008 4.321 1.00 15.00 H new ATOM 0 HD3 ARG A 262 10.223 2.407 4.223 1.00 15.00 H new ATOM 0 HE ARG A 262 11.618 4.941 3.425 1.00 15.00 H new ATOM 0 HH11 ARG A 262 11.696 1.516 4.275 1.00 15.00 H new ATOM 0 HH12 ARG A 262 13.429 1.523 4.620 1.00 15.00 H new ATOM 0 HH21 ARG A 262 13.834 4.952 3.891 1.00 15.00 H new ATOM 0 HH22 ARG A 262 14.638 3.464 4.403 1.00 15.00 H new ATOM 524 N LEU A 263 11.935 2.598 -0.126 1.00 15.00 N ATOM 525 CA LEU A 263 13.235 1.965 -0.051 1.00 15.00 C ATOM 526 C LEU A 263 13.897 2.022 -1.421 1.00 15.00 C ATOM 527 O LEU A 263 13.398 1.357 -2.353 1.00 15.00 O ATOM 528 CB LEU A 263 13.072 0.514 0.432 1.00 15.00 C ATOM 529 CG LEU A 263 14.336 -0.179 0.964 1.00 15.00 C ATOM 530 CD1 LEU A 263 15.265 -0.580 -0.169 1.00 15.00 C ATOM 531 CD2 LEU A 263 15.063 0.720 1.956 1.00 15.00 C ATOM 532 OXT LEU A 263 14.903 2.744 -1.564 1.00 15.00 O ATOM 0 H LEU A 263 11.204 2.002 -0.514 1.00 15.00 H new ATOM 0 HA LEU A 263 13.871 2.489 0.662 1.00 15.00 H new ATOM 0 HB2 LEU A 263 12.318 0.499 1.219 1.00 15.00 H new ATOM 0 HB3 LEU A 263 12.681 -0.079 -0.395 1.00 15.00 H new ATOM 0 HG LEU A 263 14.025 -1.088 1.479 1.00 15.00 H new ATOM 0 HD11 LEU A 263 16.149 -1.068 0.241 1.00 15.00 H new ATOM 0 HD12 LEU A 263 14.748 -1.269 -0.837 1.00 15.00 H new ATOM 0 HD13 LEU A 263 15.565 0.308 -0.725 1.00 15.00 H new ATOM 0 HD21 LEU A 263 15.955 0.212 2.321 1.00 15.00 H new ATOM 0 HD22 LEU A 263 15.351 1.648 1.463 1.00 15.00 H new ATOM 0 HD23 LEU A 263 14.404 0.944 2.795 1.00 15.00 H new TER 544 LEU A 263 ATOM 545 N THR B 222 2.232 -12.700 -7.189 1.00 15.00 N ATOM 546 CA THR B 222 0.783 -12.413 -7.164 1.00 15.00 C ATOM 547 C THR B 222 0.542 -10.906 -7.177 1.00 15.00 C ATOM 548 O THR B 222 1.428 -10.143 -6.787 1.00 15.00 O ATOM 549 CB THR B 222 0.135 -13.012 -5.900 1.00 15.00 C ATOM 550 OG1 THR B 222 1.143 -13.637 -5.090 1.00 15.00 O ATOM 551 CG2 THR B 222 -0.938 -14.028 -6.265 1.00 15.00 C ATOM 0 HA THR B 222 0.334 -12.864 -8.049 1.00 15.00 H new ATOM 0 HB THR B 222 -0.337 -12.205 -5.340 1.00 15.00 H new ATOM 0 HG1 THR B 222 2.026 -13.298 -5.347 1.00 15.00 H new ATOM 0 HG21 THR B 222 -1.379 -14.435 -5.355 1.00 15.00 H new ATOM 0 HG22 THR B 222 -1.713 -13.542 -6.857 1.00 15.00 H new ATOM 0 HG23 THR B 222 -0.492 -14.836 -6.845 1.00 15.00 H new ATOM 561 N PRO B 223 -0.629 -10.436 -7.649 1.00 15.00 N ATOM 562 CA PRO B 223 -1.011 -9.038 -7.506 1.00 15.00 C ATOM 563 C PRO B 223 -1.657 -8.789 -6.134 1.00 15.00 C ATOM 564 O PRO B 223 -2.218 -9.718 -5.550 1.00 15.00 O ATOM 565 CB PRO B 223 -2.036 -8.817 -8.631 1.00 15.00 C ATOM 566 CG PRO B 223 -2.228 -10.143 -9.300 1.00 15.00 C ATOM 567 CD PRO B 223 -1.658 -11.186 -8.381 1.00 15.00 C ATOM 0 HA PRO B 223 -0.159 -8.362 -7.571 1.00 15.00 H new ATOM 0 HB2 PRO B 223 -2.979 -8.446 -8.229 1.00 15.00 H new ATOM 0 HB3 PRO B 223 -1.677 -8.073 -9.342 1.00 15.00 H new ATOM 0 HG2 PRO B 223 -3.285 -10.331 -9.488 1.00 15.00 H new ATOM 0 HG3 PRO B 223 -1.724 -10.164 -10.266 1.00 15.00 H new ATOM 0 HD2 PRO B 223 -2.415 -11.595 -7.712 1.00 15.00 H new ATOM 0 HD3 PRO B 223 -1.234 -12.025 -8.933 1.00 15.00 H new ATOM 575 N PRO B 224 -1.627 -7.546 -5.599 1.00 15.00 N ATOM 576 CA PRO B 224 -2.209 -7.227 -4.307 1.00 15.00 C ATOM 577 C PRO B 224 -3.660 -6.789 -4.451 1.00 15.00 C ATOM 578 O PRO B 224 -4.198 -6.772 -5.565 1.00 15.00 O ATOM 579 CB PRO B 224 -1.330 -6.055 -3.815 1.00 15.00 C ATOM 580 CG PRO B 224 -0.595 -5.551 -5.019 1.00 15.00 C ATOM 581 CD PRO B 224 -1.114 -6.320 -6.201 1.00 15.00 C ATOM 0 HA PRO B 224 -2.226 -8.076 -3.623 1.00 15.00 H new ATOM 0 HB2 PRO B 224 -1.942 -5.268 -3.374 1.00 15.00 H new ATOM 0 HB3 PRO B 224 -0.634 -6.387 -3.045 1.00 15.00 H new ATOM 0 HG2 PRO B 224 -0.759 -4.482 -5.152 1.00 15.00 H new ATOM 0 HG3 PRO B 224 0.479 -5.697 -4.905 1.00 15.00 H new ATOM 0 HD2 PRO B 224 -1.895 -5.772 -6.727 1.00 15.00 H new ATOM 0 HD3 PRO B 224 -0.326 -6.526 -6.926 1.00 15.00 H new ATOM 589 N PRO B 225 -4.326 -6.459 -3.332 1.00 15.00 N ATOM 590 CA PRO B 225 -5.623 -5.787 -3.370 1.00 15.00 C ATOM 591 C PRO B 225 -5.573 -4.589 -4.314 1.00 15.00 C ATOM 592 O PRO B 225 -4.545 -3.926 -4.419 1.00 15.00 O ATOM 593 CB PRO B 225 -5.805 -5.321 -1.924 1.00 15.00 C ATOM 594 CG PRO B 225 -5.060 -6.317 -1.111 1.00 15.00 C ATOM 595 CD PRO B 225 -3.887 -6.742 -1.950 1.00 15.00 C ATOM 0 HA PRO B 225 -6.433 -6.423 -3.726 1.00 15.00 H new ATOM 0 HB2 PRO B 225 -5.409 -4.316 -1.779 1.00 15.00 H new ATOM 0 HB3 PRO B 225 -6.859 -5.292 -1.647 1.00 15.00 H new ATOM 0 HG2 PRO B 225 -4.728 -5.882 -0.168 1.00 15.00 H new ATOM 0 HG3 PRO B 225 -5.692 -7.170 -0.863 1.00 15.00 H new ATOM 0 HD2 PRO B 225 -2.987 -6.183 -1.693 1.00 15.00 H new ATOM 0 HD3 PRO B 225 -3.657 -7.798 -1.811 1.00 15.00 H new ATOM 603 N ALA B 226 -6.671 -4.325 -5.007 1.00 15.00 N ATOM 604 CA ALA B 226 -6.735 -3.214 -5.957 1.00 15.00 C ATOM 605 C ALA B 226 -6.484 -1.878 -5.262 1.00 15.00 C ATOM 606 O ALA B 226 -6.256 -1.827 -4.054 1.00 15.00 O ATOM 607 CB ALA B 226 -8.085 -3.197 -6.657 1.00 15.00 C ATOM 0 H ALA B 226 -7.534 -4.864 -4.932 1.00 15.00 H new ATOM 0 HA ALA B 226 -5.951 -3.360 -6.700 1.00 15.00 H new ATOM 0 HB1 ALA B 226 -8.119 -2.366 -7.361 1.00 15.00 H new ATOM 0 HB2 ALA B 226 -8.228 -4.134 -7.195 1.00 15.00 H new ATOM 0 HB3 ALA B 226 -8.877 -3.079 -5.917 1.00 15.00 H new ATOM 613 N TYR B 227 -6.514 -0.789 -6.017 1.00 15.00 N ATOM 614 CA TYR B 227 -6.363 0.521 -5.413 1.00 15.00 C ATOM 615 C TYR B 227 -7.605 0.836 -4.587 1.00 15.00 C ATOM 616 O TYR B 227 -8.746 0.749 -5.051 1.00 15.00 O ATOM 617 CB TYR B 227 -6.034 1.597 -6.461 1.00 15.00 C ATOM 618 CG TYR B 227 -6.425 2.989 -6.033 1.00 15.00 C ATOM 619 CD1 TYR B 227 -5.872 3.556 -4.896 1.00 15.00 C ATOM 620 CD2 TYR B 227 -7.352 3.726 -6.754 1.00 15.00 C ATOM 621 CE1 TYR B 227 -6.227 4.817 -4.486 1.00 15.00 C ATOM 622 CE2 TYR B 227 -7.714 4.995 -6.353 1.00 15.00 C ATOM 623 CZ TYR B 227 -7.151 5.537 -5.218 1.00 15.00 C ATOM 624 OH TYR B 227 -7.509 6.802 -4.817 1.00 15.00 O ATOM 0 H TYR B 227 -6.639 -0.787 -7.029 1.00 15.00 H new ATOM 0 HA TYR B 227 -5.507 0.517 -4.738 1.00 15.00 H new ATOM 0 HB2 TYR B 227 -4.964 1.576 -6.669 1.00 15.00 H new ATOM 0 HB3 TYR B 227 -6.545 1.354 -7.393 1.00 15.00 H new ATOM 0 HD1 TYR B 227 -5.149 2.996 -4.322 1.00 15.00 H new ATOM 0 HD2 TYR B 227 -7.797 3.301 -7.642 1.00 15.00 H new ATOM 0 HE1 TYR B 227 -5.787 5.243 -3.597 1.00 15.00 H new ATOM 0 HE2 TYR B 227 -8.434 5.561 -6.925 1.00 15.00 H new ATOM 0 HH TYR B 227 -8.168 7.169 -5.442 1.00 15.00 H new ATOM 634 N LEU B 228 -7.330 1.242 -3.369 1.00 15.00 N ATOM 635 CA LEU B 228 -8.213 1.060 -2.239 1.00 15.00 C ATOM 636 C LEU B 228 -8.043 2.186 -1.232 1.00 15.00 C ATOM 637 O LEU B 228 -6.995 2.827 -1.192 1.00 15.00 O ATOM 638 CB LEU B 228 -7.951 -0.280 -1.547 1.00 15.00 C ATOM 639 CG LEU B 228 -8.579 -1.507 -2.219 1.00 15.00 C ATOM 640 CD1 LEU B 228 -8.271 -2.763 -1.420 1.00 15.00 C ATOM 641 CD2 LEU B 228 -10.082 -1.330 -2.367 1.00 15.00 C ATOM 0 H LEU B 228 -6.462 1.721 -3.130 1.00 15.00 H new ATOM 0 HA LEU B 228 -9.234 1.070 -2.619 1.00 15.00 H new ATOM 0 HB2 LEU B 228 -6.873 -0.433 -1.487 1.00 15.00 H new ATOM 0 HB3 LEU B 228 -8.322 -0.219 -0.524 1.00 15.00 H new ATOM 0 HG LEU B 228 -8.147 -1.611 -3.214 1.00 15.00 H new ATOM 0 HD11 LEU B 228 -8.723 -3.626 -1.909 1.00 15.00 H new ATOM 0 HD12 LEU B 228 -7.191 -2.903 -1.363 1.00 15.00 H new ATOM 0 HD13 LEU B 228 -8.677 -2.663 -0.413 1.00 15.00 H new ATOM 0 HD21 LEU B 228 -10.507 -2.212 -2.846 1.00 15.00 H new ATOM 0 HD22 LEU B 228 -10.532 -1.200 -1.383 1.00 15.00 H new ATOM 0 HD23 LEU B 228 -10.286 -0.451 -2.979 1.00 15.00 H new ATOM 653 N PRO B 229 -9.083 2.507 -0.462 1.00 15.00 N ATOM 654 CA PRO B 229 -8.884 3.284 0.741 1.00 15.00 C ATOM 655 C PRO B 229 -8.582 2.290 1.859 1.00 15.00 C ATOM 656 O PRO B 229 -9.076 1.161 1.840 1.00 15.00 O ATOM 657 CB PRO B 229 -10.239 3.967 0.975 1.00 15.00 C ATOM 658 CG PRO B 229 -11.192 3.397 -0.034 1.00 15.00 C ATOM 659 CD PRO B 229 -10.507 2.241 -0.711 1.00 15.00 C ATOM 0 HA PRO B 229 -8.077 4.014 0.689 1.00 15.00 H new ATOM 0 HB2 PRO B 229 -10.594 3.784 1.989 1.00 15.00 H new ATOM 0 HB3 PRO B 229 -10.153 5.047 0.858 1.00 15.00 H new ATOM 0 HG2 PRO B 229 -12.110 3.066 0.452 1.00 15.00 H new ATOM 0 HG3 PRO B 229 -11.474 4.155 -0.765 1.00 15.00 H new ATOM 0 HD2 PRO B 229 -10.818 1.285 -0.290 1.00 15.00 H new ATOM 0 HD3 PRO B 229 -10.731 2.208 -1.777 1.00 15.00 H new ATOM 667 N PRO B 230 -7.800 2.689 2.868 1.00 15.00 N ATOM 668 CA PRO B 230 -6.856 1.786 3.529 1.00 15.00 C ATOM 669 C PRO B 230 -7.440 1.009 4.691 1.00 15.00 C ATOM 670 O PRO B 230 -8.334 1.469 5.405 1.00 15.00 O ATOM 671 CB PRO B 230 -5.774 2.748 4.049 1.00 15.00 C ATOM 672 CG PRO B 230 -6.212 4.126 3.653 1.00 15.00 C ATOM 673 CD PRO B 230 -7.688 4.039 3.401 1.00 15.00 C ATOM 0 HA PRO B 230 -6.511 1.016 2.839 1.00 15.00 H new ATOM 0 HB2 PRO B 230 -5.671 2.669 5.131 1.00 15.00 H new ATOM 0 HB3 PRO B 230 -4.802 2.510 3.618 1.00 15.00 H new ATOM 0 HG2 PRO B 230 -5.993 4.846 4.442 1.00 15.00 H new ATOM 0 HG3 PRO B 230 -5.684 4.461 2.760 1.00 15.00 H new ATOM 0 HD2 PRO B 230 -8.270 4.172 4.313 1.00 15.00 H new ATOM 0 HD3 PRO B 230 -8.030 4.792 2.691 1.00 15.00 H new ATOM 681 N GLU B 231 -6.870 -0.178 4.878 1.00 15.00 N ATOM 682 CA GLU B 231 -7.558 -1.268 5.570 1.00 15.00 C ATOM 683 C GLU B 231 -7.109 -1.422 7.015 1.00 15.00 C ATOM 684 O GLU B 231 -5.964 -1.137 7.368 1.00 15.00 O ATOM 685 CB GLU B 231 -7.407 -2.589 4.797 1.00 15.00 C ATOM 686 CG GLU B 231 -5.996 -3.058 4.587 1.00 15.00 C ATOM 687 CD GLU B 231 -5.957 -4.344 3.784 1.00 15.00 C ATOM 688 OE1 GLU B 231 -6.464 -4.342 2.645 1.00 15.00 O ATOM 689 OE2 GLU B 231 -5.430 -5.355 4.286 1.00 15.00 O1- ATOM 0 H GLU B 231 -5.930 -0.412 4.559 1.00 15.00 H new ATOM 0 HA GLU B 231 -8.615 -1.005 5.601 1.00 15.00 H new ATOM 0 HB2 GLU B 231 -7.954 -3.366 5.330 1.00 15.00 H new ATOM 0 HB3 GLU B 231 -7.883 -2.476 3.823 1.00 15.00 H new ATOM 0 HG2 GLU B 231 -5.427 -2.286 4.069 1.00 15.00 H new ATOM 0 HG3 GLU B 231 -5.515 -3.215 5.552 1.00 15.00 H new ATOM 696 N ASP B 232 -8.036 -1.897 7.831 1.00 15.00 N ATOM 697 CA ASP B 232 -7.876 -1.915 9.281 1.00 15.00 C ATOM 698 C ASP B 232 -7.416 -3.270 9.839 1.00 15.00 C ATOM 699 O ASP B 232 -6.523 -3.288 10.684 1.00 15.00 O ATOM 700 CB ASP B 232 -9.181 -1.500 9.959 1.00 15.00 C ATOM 701 CG ASP B 232 -9.614 -0.103 9.574 1.00 15.00 C ATOM 702 OD1 ASP B 232 -10.347 0.045 8.567 1.00 15.00 O1- ATOM 703 OD2 ASP B 232 -9.221 0.856 10.271 1.00 15.00 O ATOM 0 H ASP B 232 -8.924 -2.282 7.508 1.00 15.00 H new ATOM 0 HA ASP B 232 -7.083 -1.201 9.504 1.00 15.00 H new ATOM 0 HB2 ASP B 232 -9.966 -2.207 9.692 1.00 15.00 H new ATOM 0 HB3 ASP B 232 -9.058 -1.554 11.041 1.00 15.00 H new ATOM 708 N PRO B 233 -8.041 -4.411 9.422 1.00 15.00 N ATOM 709 CA PRO B 233 -7.734 -5.751 9.961 1.00 15.00 C ATOM 710 C PRO B 233 -6.248 -5.993 10.228 1.00 15.00 C ATOM 711 O PRO B 233 -5.497 -6.223 9.266 1.00 15.00 O ATOM 712 CB PRO B 233 -8.231 -6.681 8.857 1.00 15.00 C ATOM 713 CG PRO B 233 -9.402 -5.971 8.278 1.00 15.00 C ATOM 714 CD PRO B 233 -9.109 -4.495 8.399 1.00 15.00 C ATOM 715 OXT PRO B 233 -5.844 -5.965 11.412 1.00 15.00 O ATOM 0 HA PRO B 233 -8.201 -5.900 10.934 1.00 15.00 H new ATOM 0 HB2 PRO B 233 -7.460 -6.855 8.106 1.00 15.00 H new ATOM 0 HB3 PRO B 233 -8.514 -7.656 9.255 1.00 15.00 H new ATOM 0 HG2 PRO B 233 -9.551 -6.253 7.236 1.00 15.00 H new ATOM 0 HG3 PRO B 233 -10.316 -6.230 8.812 1.00 15.00 H new ATOM 0 HD2 PRO B 233 -8.781 -4.076 7.448 1.00 15.00 H new ATOM 0 HD3 PRO B 233 -9.995 -3.938 8.704 1.00 15.00 H new TER 723 PRO B 233