USER MOD reduce.3.24.130724 H: found=0, std=0, add=347, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 353 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= 0.703 K(o=-0.93,f=-8.2!) USER MOD Set 1.2: B 211 TYR OH : rot 180:sc= -2.57! USER MOD Set 1.3: B 214 TYR OH : rot 180:sc= 0.936 USER MOD Set 2.1: A 250 ASN : amide:sc= -0.796 K(o=-1.5,f=-9.7!) USER MOD Set 2.2: A 253 ASN : amide:sc= -0.71 K(o=-1.5,f=-5.6!) USER MOD Set 3.1: A 238 GLN : amide:sc= -2.08! C(o=-5.4!,f=-5.3!) USER MOD Set 3.2: A 248 TYR OH : rot 131:sc= -3.31! USER MOD Single : A 240 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 241 THR OG1 : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 247 TYR OH : rot 120:sc= -0.925 USER MOD Single : A 252 LYS NZ :NH3+ 175:sc= 1.07 (180deg=0.904) USER MOD Single : A 254 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 255 THR OG1 : rot 180:sc= -0.0858 USER MOD Single : A 256 THR OG1 : rot 180:sc= -0.0184 USER MOD Single : A 257 SER OG : rot 110:sc= 0.251 USER MOD Single : B 206 SER OG : rot 31:sc= 0.107 USER MOD Single : B 212 SER OG : rot 180:sc= 0.00686 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 230 9.586 -1.459 -5.673 1.00 15.00 N ATOM 2 CA GLY A 230 11.012 -1.837 -5.512 1.00 15.00 C ATOM 3 C GLY A 230 11.362 -2.104 -4.064 1.00 15.00 C ATOM 4 O GLY A 230 10.680 -2.883 -3.395 1.00 15.00 O ATOM 0 HA2 GLY A 230 11.222 -2.726 -6.107 1.00 15.00 H new ATOM 0 HA3 GLY A 230 11.646 -1.038 -5.898 1.00 15.00 H new ATOM 10 N PRO A 231 12.433 -1.490 -3.546 1.00 15.00 N ATOM 11 CA PRO A 231 12.796 -1.595 -2.142 1.00 15.00 C ATOM 12 C PRO A 231 12.001 -0.614 -1.288 1.00 15.00 C ATOM 13 O PRO A 231 12.270 0.588 -1.293 1.00 15.00 O ATOM 14 CB PRO A 231 14.291 -1.241 -2.114 1.00 15.00 C ATOM 15 CG PRO A 231 14.666 -0.890 -3.525 1.00 15.00 C ATOM 16 CD PRO A 231 13.384 -0.656 -4.275 1.00 15.00 C ATOM 0 HA PRO A 231 12.585 -2.585 -1.737 1.00 15.00 H new ATOM 0 HB2 PRO A 231 14.480 -0.404 -1.442 1.00 15.00 H new ATOM 0 HB3 PRO A 231 14.883 -2.081 -1.752 1.00 15.00 H new ATOM 0 HG2 PRO A 231 15.294 0.001 -3.547 1.00 15.00 H new ATOM 0 HG3 PRO A 231 15.240 -1.696 -3.983 1.00 15.00 H new ATOM 0 HD2 PRO A 231 13.094 0.395 -4.264 1.00 15.00 H new ATOM 0 HD3 PRO A 231 13.466 -0.953 -5.321 1.00 15.00 H new ATOM 24 N LEU A 232 10.988 -1.118 -0.599 1.00 15.00 N ATOM 25 CA LEU A 232 10.170 -0.278 0.260 1.00 15.00 C ATOM 26 C LEU A 232 10.833 -0.087 1.614 1.00 15.00 C ATOM 27 O LEU A 232 11.706 -0.866 1.996 1.00 15.00 O ATOM 28 CB LEU A 232 8.740 -0.788 0.489 1.00 15.00 C ATOM 29 CG LEU A 232 7.750 -0.646 -0.660 1.00 15.00 C ATOM 30 CD1 LEU A 232 7.416 0.795 -1.021 1.00 15.00 C ATOM 31 CD2 LEU A 232 8.230 -1.390 -1.883 1.00 15.00 C ATOM 0 H LEU A 232 10.714 -2.100 -0.618 1.00 15.00 H new ATOM 0 HA LEU A 232 10.089 0.665 -0.280 1.00 15.00 H new ATOM 0 HB2 LEU A 232 8.798 -1.844 0.755 1.00 15.00 H new ATOM 0 HB3 LEU A 232 8.330 -0.264 1.353 1.00 15.00 H new ATOM 0 HG LEU A 232 6.824 -1.092 -0.298 1.00 15.00 H new ATOM 0 HD11 LEU A 232 6.705 0.808 -1.847 1.00 15.00 H new ATOM 0 HD12 LEU A 232 6.977 1.294 -0.157 1.00 15.00 H new ATOM 0 HD13 LEU A 232 8.326 1.316 -1.317 1.00 15.00 H new ATOM 0 HD21 LEU A 232 7.505 -1.272 -2.688 1.00 15.00 H new ATOM 0 HD22 LEU A 232 9.192 -0.987 -2.199 1.00 15.00 H new ATOM 0 HD23 LEU A 232 8.340 -2.448 -1.645 1.00 15.00 H new ATOM 43 N PRO A 233 10.417 0.947 2.363 1.00 15.00 N ATOM 44 CA PRO A 233 10.994 1.302 3.677 1.00 15.00 C ATOM 45 C PRO A 233 10.884 0.185 4.726 1.00 15.00 C ATOM 46 O PRO A 233 11.422 0.320 5.823 1.00 15.00 O ATOM 47 CB PRO A 233 10.122 2.499 4.077 1.00 15.00 C ATOM 48 CG PRO A 233 9.788 3.093 2.770 1.00 15.00 C ATOM 49 CD PRO A 233 9.330 1.895 2.025 1.00 15.00 C ATOM 0 HA PRO A 233 12.065 1.496 3.620 1.00 15.00 H new ATOM 0 HB2 PRO A 233 9.231 2.189 4.623 1.00 15.00 H new ATOM 0 HB3 PRO A 233 10.660 3.199 4.716 1.00 15.00 H new ATOM 0 HG2 PRO A 233 9.010 3.852 2.849 1.00 15.00 H new ATOM 0 HG3 PRO A 233 10.650 3.567 2.300 1.00 15.00 H new ATOM 0 HD2 PRO A 233 8.353 1.545 2.360 1.00 15.00 H new ATOM 0 HD3 PRO A 233 9.254 2.076 0.953 1.00 15.00 H new ATOM 57 N ASP A 234 10.128 -0.872 4.392 1.00 15.00 N ATOM 58 CA ASP A 234 9.894 -2.038 5.273 1.00 15.00 C ATOM 59 C ASP A 234 8.695 -1.811 6.168 1.00 15.00 C ATOM 60 O ASP A 234 8.418 -2.598 7.072 1.00 15.00 O ATOM 61 CB ASP A 234 11.119 -2.407 6.124 1.00 15.00 C ATOM 62 CG ASP A 234 12.033 -3.401 5.441 1.00 15.00 C ATOM 63 OD1 ASP A 234 11.766 -4.614 5.530 1.00 15.00 O ATOM 64 OD2 ASP A 234 13.034 -2.977 4.823 1.00 15.00 O1- ATOM 0 H ASP A 234 9.654 -0.947 3.492 1.00 15.00 H new ATOM 0 HA ASP A 234 9.697 -2.880 4.609 1.00 15.00 H new ATOM 0 HB2 ASP A 234 11.682 -1.502 6.353 1.00 15.00 H new ATOM 0 HB3 ASP A 234 10.783 -2.823 7.074 1.00 15.00 H new ATOM 69 N GLY A 235 7.961 -0.752 5.888 1.00 15.00 N ATOM 70 CA GLY A 235 6.734 -0.508 6.605 1.00 15.00 C ATOM 71 C GLY A 235 5.533 -1.072 5.877 1.00 15.00 C ATOM 72 O GLY A 235 4.568 -1.511 6.500 1.00 15.00 O ATOM 0 H GLY A 235 8.192 -0.057 5.178 1.00 15.00 H new ATOM 0 HA2 GLY A 235 6.799 -0.954 7.598 1.00 15.00 H new ATOM 0 HA3 GLY A 235 6.603 0.565 6.745 1.00 15.00 H new ATOM 76 N TRP A 236 5.606 -1.095 4.550 1.00 15.00 N ATOM 77 CA TRP A 236 4.458 -1.459 3.738 1.00 15.00 C ATOM 78 C TRP A 236 4.764 -2.383 2.575 1.00 15.00 C ATOM 79 O TRP A 236 5.838 -2.344 1.979 1.00 15.00 O ATOM 80 CB TRP A 236 3.691 -0.231 3.241 1.00 15.00 C ATOM 81 CG TRP A 236 4.479 1.031 3.029 1.00 15.00 C ATOM 82 CD1 TRP A 236 5.806 1.182 2.751 1.00 15.00 C ATOM 83 CD2 TRP A 236 3.935 2.349 3.101 1.00 15.00 C ATOM 84 NE1 TRP A 236 6.114 2.520 2.675 1.00 15.00 N ATOM 85 CE2 TRP A 236 4.978 3.255 2.882 1.00 15.00 C ATOM 86 CE3 TRP A 236 2.654 2.842 3.336 1.00 15.00 C ATOM 87 CZ2 TRP A 236 4.782 4.637 2.899 1.00 15.00 C ATOM 88 CZ3 TRP A 236 2.454 4.207 3.350 1.00 15.00 C ATOM 89 CH2 TRP A 236 3.514 5.093 3.135 1.00 15.00 C ATOM 0 H TRP A 236 6.446 -0.866 4.019 1.00 15.00 H new ATOM 0 HA TRP A 236 3.828 -2.028 4.421 1.00 15.00 H new ATOM 0 HB2 TRP A 236 3.210 -0.492 2.298 1.00 15.00 H new ATOM 0 HB3 TRP A 236 2.896 -0.017 3.956 1.00 15.00 H new ATOM 0 HD1 TRP A 236 6.508 0.373 2.612 1.00 15.00 H new ATOM 0 HE1 TRP A 236 7.041 2.904 2.493 1.00 15.00 H new ATOM 0 HE3 TRP A 236 1.829 2.166 3.505 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 5.601 5.321 2.732 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 1.463 4.597 3.530 1.00 15.00 H new ATOM 0 HH2 TRP A 236 3.328 6.157 3.156 1.00 15.00 H new ATOM 100 N GLU A 237 3.750 -3.179 2.253 1.00 15.00 N ATOM 101 CA GLU A 237 3.800 -4.159 1.190 1.00 15.00 C ATOM 102 C GLU A 237 2.723 -3.816 0.156 1.00 15.00 C ATOM 103 O GLU A 237 1.640 -3.349 0.519 1.00 15.00 O ATOM 104 CB GLU A 237 3.566 -5.545 1.804 1.00 15.00 C ATOM 105 CG GLU A 237 3.550 -6.680 0.804 1.00 15.00 C ATOM 106 CD GLU A 237 4.795 -6.714 -0.057 1.00 15.00 C ATOM 107 OE1 GLU A 237 5.817 -7.277 0.386 1.00 15.00 O1- ATOM 108 OE2 GLU A 237 4.762 -6.166 -1.177 1.00 15.00 O ATOM 0 H GLU A 237 2.853 -3.155 2.739 1.00 15.00 H new ATOM 0 HA GLU A 237 4.768 -4.157 0.690 1.00 15.00 H new ATOM 0 HB2 GLU A 237 4.345 -5.738 2.541 1.00 15.00 H new ATOM 0 HB3 GLU A 237 2.616 -5.536 2.339 1.00 15.00 H new ATOM 0 HG2 GLU A 237 3.454 -7.627 1.336 1.00 15.00 H new ATOM 0 HG3 GLU A 237 2.673 -6.584 0.164 1.00 15.00 H new ATOM 115 N GLN A 238 3.009 -4.065 -1.117 1.00 15.00 N ATOM 116 CA GLN A 238 2.134 -3.618 -2.196 1.00 15.00 C ATOM 117 C GLN A 238 1.080 -4.680 -2.521 1.00 15.00 C ATOM 118 O GLN A 238 1.380 -5.687 -3.164 1.00 15.00 O ATOM 119 CB GLN A 238 2.959 -3.276 -3.444 1.00 15.00 C ATOM 120 CG GLN A 238 2.155 -2.708 -4.593 1.00 15.00 C ATOM 121 CD GLN A 238 3.019 -2.468 -5.813 1.00 15.00 C ATOM 122 OE1 GLN A 238 3.569 -1.382 -6.000 1.00 15.00 O ATOM 123 NE2 GLN A 238 3.159 -3.485 -6.651 1.00 15.00 N ATOM 0 H GLN A 238 3.838 -4.573 -1.427 1.00 15.00 H new ATOM 0 HA GLN A 238 1.615 -2.719 -1.865 1.00 15.00 H new ATOM 0 HB2 GLN A 238 3.731 -2.558 -3.168 1.00 15.00 H new ATOM 0 HB3 GLN A 238 3.469 -4.177 -3.785 1.00 15.00 H new ATOM 0 HG2 GLN A 238 1.348 -3.395 -4.848 1.00 15.00 H new ATOM 0 HG3 GLN A 238 1.691 -1.771 -4.285 1.00 15.00 H new ATOM 0 HE21 GLN A 238 2.688 -4.370 -6.463 1.00 15.00 H new ATOM 0 HE22 GLN A 238 3.738 -3.383 -7.484 1.00 15.00 H new ATOM 132 N ALA A 239 -0.146 -4.471 -2.045 1.00 15.00 N ATOM 133 CA ALA A 239 -1.236 -5.394 -2.307 1.00 15.00 C ATOM 134 C ALA A 239 -2.054 -4.906 -3.494 1.00 15.00 C ATOM 135 O ALA A 239 -2.130 -3.706 -3.750 1.00 15.00 O ATOM 136 CB ALA A 239 -2.103 -5.558 -1.070 1.00 15.00 C ATOM 0 H ALA A 239 -0.405 -3.666 -1.474 1.00 15.00 H new ATOM 0 HA ALA A 239 -0.824 -6.372 -2.554 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -2.915 -6.253 -1.284 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -1.498 -5.948 -0.251 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.519 -4.591 -0.786 1.00 15.00 H new ATOM 142 N MET A 240 -2.646 -5.829 -4.229 1.00 15.00 N ATOM 143 CA MET A 240 -3.342 -5.488 -5.462 1.00 15.00 C ATOM 144 C MET A 240 -4.851 -5.624 -5.299 1.00 15.00 C ATOM 145 O MET A 240 -5.343 -6.684 -4.910 1.00 15.00 O ATOM 146 CB MET A 240 -2.869 -6.405 -6.590 1.00 15.00 C ATOM 147 CG MET A 240 -1.356 -6.479 -6.718 1.00 15.00 C ATOM 148 SD MET A 240 -0.819 -7.675 -7.954 1.00 15.00 S ATOM 149 CE MET A 240 0.954 -7.665 -7.686 1.00 15.00 C ATOM 0 H MET A 240 -2.660 -6.822 -3.996 1.00 15.00 H new ATOM 0 HA MET A 240 -3.114 -4.450 -5.705 1.00 15.00 H new ATOM 0 HB2 MET A 240 -3.261 -7.408 -6.420 1.00 15.00 H new ATOM 0 HB3 MET A 240 -3.289 -6.054 -7.533 1.00 15.00 H new ATOM 0 HG2 MET A 240 -0.969 -5.494 -6.980 1.00 15.00 H new ATOM 0 HG3 MET A 240 -0.926 -6.744 -5.752 1.00 15.00 H new ATOM 0 HE1 MET A 240 1.431 -8.359 -8.379 1.00 15.00 H new ATOM 0 HE2 MET A 240 1.342 -6.660 -7.854 1.00 15.00 H new ATOM 0 HE3 MET A 240 1.169 -7.970 -6.662 1.00 15.00 H new ATOM 159 N THR A 241 -5.587 -4.559 -5.597 1.00 15.00 N ATOM 160 CA THR A 241 -7.039 -4.642 -5.625 1.00 15.00 C ATOM 161 C THR A 241 -7.506 -4.880 -7.056 1.00 15.00 C ATOM 162 O THR A 241 -6.931 -4.338 -8.010 1.00 15.00 O ATOM 163 CB THR A 241 -7.739 -3.391 -5.032 1.00 15.00 C ATOM 164 OG1 THR A 241 -9.161 -3.544 -5.117 1.00 15.00 O ATOM 165 CG2 THR A 241 -7.336 -2.117 -5.754 1.00 15.00 C ATOM 0 H THR A 241 -5.206 -3.639 -5.820 1.00 15.00 H new ATOM 0 HA THR A 241 -7.324 -5.480 -4.988 1.00 15.00 H new ATOM 0 HB THR A 241 -7.426 -3.307 -3.991 1.00 15.00 H new ATOM 0 HG1 THR A 241 -9.598 -2.752 -4.740 1.00 15.00 H new ATOM 0 HG21 THR A 241 -7.850 -1.267 -5.306 1.00 15.00 H new ATOM 0 HG22 THR A 241 -6.259 -1.976 -5.669 1.00 15.00 H new ATOM 0 HG23 THR A 241 -7.610 -2.193 -6.806 1.00 15.00 H new ATOM 173 N GLN A 242 -8.554 -5.686 -7.190 1.00 15.00 N ATOM 174 CA GLN A 242 -9.064 -6.111 -8.491 1.00 15.00 C ATOM 175 C GLN A 242 -9.631 -4.929 -9.278 1.00 15.00 C ATOM 176 O GLN A 242 -9.977 -5.054 -10.453 1.00 15.00 O ATOM 177 CB GLN A 242 -10.119 -7.203 -8.318 1.00 15.00 C ATOM 178 CG GLN A 242 -10.381 -8.007 -9.581 1.00 15.00 C ATOM 179 CD GLN A 242 -11.298 -9.187 -9.336 1.00 15.00 C ATOM 180 OE1 GLN A 242 -12.519 -9.082 -9.464 1.00 15.00 O ATOM 181 NE2 GLN A 242 -10.716 -10.313 -8.963 1.00 15.00 N ATOM 0 H GLN A 242 -9.075 -6.064 -6.399 1.00 15.00 H new ATOM 0 HA GLN A 242 -8.231 -6.520 -9.063 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -9.800 -7.881 -7.526 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -11.052 -6.745 -7.990 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -10.823 -7.358 -10.336 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -9.433 -8.365 -9.984 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -9.701 -10.356 -8.869 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -11.282 -11.139 -8.769 1.00 15.00 H new ATOM 190 N ASP A 243 -9.758 -3.787 -8.610 1.00 15.00 N ATOM 191 CA ASP A 243 -10.166 -2.551 -9.271 1.00 15.00 C ATOM 192 C ASP A 243 -9.074 -2.070 -10.238 1.00 15.00 C ATOM 193 O ASP A 243 -9.283 -1.147 -11.022 1.00 15.00 O ATOM 194 CB ASP A 243 -10.477 -1.473 -8.228 1.00 15.00 C ATOM 195 CG ASP A 243 -10.986 -0.185 -8.844 1.00 15.00 C ATOM 196 OD1 ASP A 243 -12.146 -0.157 -9.312 1.00 15.00 O ATOM 197 OD2 ASP A 243 -10.243 0.811 -8.844 1.00 15.00 O1- ATOM 0 H ASP A 243 -9.584 -3.691 -7.610 1.00 15.00 H new ATOM 0 HA ASP A 243 -11.069 -2.746 -9.849 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -11.222 -1.855 -7.529 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -9.577 -1.263 -7.651 1.00 15.00 H new ATOM 202 N GLY A 244 -7.911 -2.714 -10.181 1.00 15.00 N ATOM 203 CA GLY A 244 -6.838 -2.402 -11.110 1.00 15.00 C ATOM 204 C GLY A 244 -5.818 -1.432 -10.548 1.00 15.00 C ATOM 205 O GLY A 244 -5.155 -0.715 -11.300 1.00 15.00 O ATOM 0 H GLY A 244 -7.692 -3.448 -9.507 1.00 15.00 H new ATOM 0 HA2 GLY A 244 -6.333 -3.325 -11.393 1.00 15.00 H new ATOM 0 HA3 GLY A 244 -7.266 -1.981 -12.020 1.00 15.00 H new ATOM 209 N GLU A 245 -5.672 -1.413 -9.230 1.00 15.00 N ATOM 210 CA GLU A 245 -4.724 -0.514 -8.586 1.00 15.00 C ATOM 211 C GLU A 245 -4.002 -1.224 -7.448 1.00 15.00 C ATOM 212 O GLU A 245 -4.546 -2.128 -6.816 1.00 15.00 O ATOM 213 CB GLU A 245 -5.423 0.748 -8.069 1.00 15.00 C ATOM 214 CG GLU A 245 -5.980 1.628 -9.174 1.00 15.00 C ATOM 215 CD GLU A 245 -6.338 3.022 -8.705 1.00 15.00 C ATOM 216 OE1 GLU A 245 -7.413 3.193 -8.096 1.00 15.00 O ATOM 217 OE2 GLU A 245 -5.554 3.960 -8.970 1.00 15.00 O1- ATOM 0 H GLU A 245 -6.196 -2.008 -8.588 1.00 15.00 H new ATOM 0 HA GLU A 245 -3.989 -0.212 -9.332 1.00 15.00 H new ATOM 0 HB2 GLU A 245 -6.235 0.457 -7.403 1.00 15.00 H new ATOM 0 HB3 GLU A 245 -4.716 1.328 -7.475 1.00 15.00 H new ATOM 0 HG2 GLU A 245 -5.246 1.699 -9.977 1.00 15.00 H new ATOM 0 HG3 GLU A 245 -6.867 1.154 -9.594 1.00 15.00 H new ATOM 224 N ILE A 246 -2.774 -0.813 -7.195 1.00 15.00 N ATOM 225 CA ILE A 246 -1.967 -1.411 -6.146 1.00 15.00 C ATOM 226 C ILE A 246 -1.801 -0.428 -4.992 1.00 15.00 C ATOM 227 O ILE A 246 -1.605 0.766 -5.212 1.00 15.00 O ATOM 228 CB ILE A 246 -0.586 -1.835 -6.693 1.00 15.00 C ATOM 229 CG1 ILE A 246 0.186 -0.606 -7.201 1.00 15.00 C ATOM 230 CG2 ILE A 246 -0.754 -2.874 -7.795 1.00 15.00 C ATOM 231 CD1 ILE A 246 1.250 -0.912 -8.238 1.00 15.00 C ATOM 0 H ILE A 246 -2.310 -0.062 -7.705 1.00 15.00 H new ATOM 0 HA ILE A 246 -2.477 -2.303 -5.781 1.00 15.00 H new ATOM 0 HB ILE A 246 -0.007 -2.287 -5.887 1.00 15.00 H new ATOM 0 HG12 ILE A 246 -0.525 0.102 -7.627 1.00 15.00 H new ATOM 0 HG13 ILE A 246 0.657 -0.113 -6.351 1.00 15.00 H new ATOM 0 HG21 ILE A 246 0.226 -3.165 -8.173 1.00 15.00 H new ATOM 0 HG22 ILE A 246 -1.264 -3.750 -7.394 1.00 15.00 H new ATOM 0 HG23 ILE A 246 -1.345 -2.451 -8.607 1.00 15.00 H new ATOM 0 HD11 ILE A 246 1.742 0.013 -8.538 1.00 15.00 H new ATOM 0 HD12 ILE A 246 1.987 -1.594 -7.813 1.00 15.00 H new ATOM 0 HD13 ILE A 246 0.787 -1.375 -9.109 1.00 15.00 H new ATOM 243 N TYR A 247 -1.901 -0.920 -3.769 1.00 15.00 N ATOM 244 CA TYR A 247 -1.843 -0.057 -2.602 1.00 15.00 C ATOM 245 C TYR A 247 -0.875 -0.622 -1.552 1.00 15.00 C ATOM 246 O TYR A 247 -0.872 -1.829 -1.290 1.00 15.00 O ATOM 247 CB TYR A 247 -3.252 0.129 -2.004 1.00 15.00 C ATOM 248 CG TYR A 247 -3.950 -1.154 -1.584 1.00 15.00 C ATOM 249 CD1 TYR A 247 -4.487 -2.020 -2.529 1.00 15.00 C ATOM 250 CD2 TYR A 247 -4.077 -1.491 -0.240 1.00 15.00 C ATOM 251 CE1 TYR A 247 -5.126 -3.185 -2.150 1.00 15.00 C ATOM 252 CE2 TYR A 247 -4.715 -2.661 0.148 1.00 15.00 C ATOM 253 CZ TYR A 247 -5.236 -3.501 -0.814 1.00 15.00 C ATOM 254 OH TYR A 247 -5.870 -4.660 -0.435 1.00 15.00 O ATOM 0 H TYR A 247 -2.023 -1.911 -3.559 1.00 15.00 H new ATOM 0 HA TYR A 247 -1.468 0.918 -2.913 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -3.178 0.784 -1.136 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -3.876 0.640 -2.737 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -4.403 -1.778 -3.578 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -3.673 -0.831 0.514 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -5.538 -3.845 -2.899 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.803 -2.912 1.195 1.00 15.00 H new ATOM 0 HH TYR A 247 -5.245 -5.227 0.062 1.00 15.00 H new ATOM 264 N TYR A 248 -0.069 0.245 -0.938 1.00 15.00 N ATOM 265 CA TYR A 248 0.864 -0.172 0.092 1.00 15.00 C ATOM 266 C TYR A 248 0.216 -0.105 1.463 1.00 15.00 C ATOM 267 O TYR A 248 -0.140 0.971 1.945 1.00 15.00 O ATOM 268 CB TYR A 248 2.125 0.702 0.078 1.00 15.00 C ATOM 269 CG TYR A 248 3.154 0.238 -0.923 1.00 15.00 C ATOM 270 CD1 TYR A 248 3.997 -0.820 -0.623 1.00 15.00 C ATOM 271 CD2 TYR A 248 3.269 0.832 -2.174 1.00 15.00 C ATOM 272 CE1 TYR A 248 4.916 -1.276 -1.539 1.00 15.00 C ATOM 273 CE2 TYR A 248 4.188 0.371 -3.096 1.00 15.00 C ATOM 274 CZ TYR A 248 5.002 -0.680 -2.778 1.00 15.00 C ATOM 275 OH TYR A 248 5.907 -1.142 -3.705 1.00 15.00 O ATOM 0 H TYR A 248 -0.049 1.244 -1.142 1.00 15.00 H new ATOM 0 HA TYR A 248 1.148 -1.203 -0.119 1.00 15.00 H new ATOM 0 HB2 TYR A 248 1.845 1.731 -0.148 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.570 0.704 1.073 1.00 15.00 H new ATOM 0 HD1 TYR A 248 3.931 -1.294 0.345 1.00 15.00 H new ATOM 0 HD2 TYR A 248 2.631 1.665 -2.429 1.00 15.00 H new ATOM 0 HE1 TYR A 248 5.568 -2.099 -1.288 1.00 15.00 H new ATOM 0 HE2 TYR A 248 4.263 0.840 -4.066 1.00 15.00 H new ATOM 0 HH TYR A 248 5.454 -1.282 -4.563 1.00 15.00 H new ATOM 285 N ILE A 249 0.040 -1.267 2.073 1.00 15.00 N ATOM 286 CA ILE A 249 -0.462 -1.349 3.427 1.00 15.00 C ATOM 287 C ILE A 249 0.694 -1.315 4.406 1.00 15.00 C ATOM 288 O ILE A 249 1.501 -2.248 4.465 1.00 15.00 O ATOM 289 CB ILE A 249 -1.298 -2.625 3.650 1.00 15.00 C ATOM 290 CG1 ILE A 249 -0.657 -3.822 2.937 1.00 15.00 C ATOM 291 CG2 ILE A 249 -2.721 -2.407 3.175 1.00 15.00 C ATOM 292 CD1 ILE A 249 -1.460 -5.101 3.043 1.00 15.00 C ATOM 0 H ILE A 249 0.241 -2.170 1.644 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.113 -0.491 3.594 1.00 15.00 H new ATOM 0 HB ILE A 249 -1.323 -2.846 4.717 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -0.522 -3.575 1.884 1.00 15.00 H new ATOM 0 HG13 ILE A 249 0.336 -3.992 3.354 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -3.302 -3.315 3.338 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -3.169 -1.585 3.733 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.717 -2.164 2.112 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -0.942 -5.901 2.514 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -1.573 -5.374 4.092 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -2.444 -4.951 2.599 1.00 15.00 H new ATOM 304 N ASN A 250 0.772 -0.249 5.181 1.00 15.00 N ATOM 305 CA ASN A 250 1.880 -0.074 6.097 1.00 15.00 C ATOM 306 C ASN A 250 1.519 -0.715 7.435 1.00 15.00 C ATOM 307 O ASN A 250 0.743 -0.133 8.194 1.00 15.00 O ATOM 308 CB ASN A 250 2.183 1.413 6.297 1.00 15.00 C ATOM 309 CG ASN A 250 3.470 1.665 7.062 1.00 15.00 C ATOM 310 OD1 ASN A 250 3.873 0.881 7.922 1.00 15.00 O ATOM 311 ND2 ASN A 250 4.128 2.769 6.751 1.00 15.00 N ATOM 0 H ASN A 250 0.084 0.504 5.194 1.00 15.00 H new ATOM 0 HA ASN A 250 2.769 -0.550 5.683 1.00 15.00 H new ATOM 0 HB2 ASN A 250 2.246 1.898 5.323 1.00 15.00 H new ATOM 0 HB3 ASN A 250 1.354 1.877 6.831 1.00 15.00 H new ATOM 0 HD21 ASN A 250 5.000 2.995 7.229 1.00 15.00 H new ATOM 0 HD22 ASN A 250 3.763 3.395 6.033 1.00 15.00 H new ATOM 318 N HIS A 251 2.046 -1.919 7.716 1.00 15.00 N ATOM 319 CA HIS A 251 1.646 -2.673 8.891 1.00 15.00 C ATOM 320 C HIS A 251 2.308 -2.117 10.145 1.00 15.00 C ATOM 321 O HIS A 251 1.903 -2.427 11.264 1.00 15.00 O ATOM 322 CB HIS A 251 1.994 -4.162 8.723 1.00 15.00 C ATOM 323 CG HIS A 251 1.158 -4.890 7.706 1.00 15.00 C ATOM 324 ND1 HIS A 251 1.602 -5.202 6.431 1.00 15.00 N ATOM 325 CD2 HIS A 251 -0.098 -5.397 7.793 1.00 15.00 C ATOM 326 CE1 HIS A 251 0.658 -5.862 5.789 1.00 15.00 C ATOM 327 NE2 HIS A 251 -0.382 -5.994 6.589 1.00 15.00 N ATOM 0 H HIS A 251 2.749 -2.381 7.139 1.00 15.00 H new ATOM 0 HA HIS A 251 0.566 -2.576 9.001 1.00 15.00 H new ATOM 0 HB2 HIS A 251 3.043 -4.247 8.439 1.00 15.00 H new ATOM 0 HB3 HIS A 251 1.884 -4.658 9.687 1.00 15.00 H new ATOM 0 HD2 HIS A 251 -0.753 -5.341 8.650 1.00 15.00 H new ATOM 0 HE1 HIS A 251 0.725 -6.233 4.777 1.00 15.00 H new ATOM 0 HE2 HIS A 251 -1.256 -6.463 6.352 1.00 15.00 H new ATOM 336 N LYS A 252 3.347 -1.315 9.957 1.00 15.00 N ATOM 337 CA LYS A 252 4.050 -0.721 11.086 1.00 15.00 C ATOM 338 C LYS A 252 3.501 0.658 11.458 1.00 15.00 C ATOM 339 O LYS A 252 3.525 1.034 12.630 1.00 15.00 O ATOM 340 CB LYS A 252 5.551 -0.638 10.802 1.00 15.00 C ATOM 341 CG LYS A 252 6.203 -2.004 10.673 1.00 15.00 C ATOM 342 CD LYS A 252 7.691 -1.900 10.374 1.00 15.00 C ATOM 343 CE LYS A 252 8.339 -3.275 10.298 1.00 15.00 C ATOM 344 NZ LYS A 252 7.704 -4.136 9.265 1.00 15.00 N1+ ATOM 0 H LYS A 252 3.719 -1.062 9.042 1.00 15.00 H new ATOM 0 HA LYS A 252 3.883 -1.374 11.942 1.00 15.00 H new ATOM 0 HB2 LYS A 252 5.711 -0.076 9.882 1.00 15.00 H new ATOM 0 HB3 LYS A 252 6.038 -0.083 11.604 1.00 15.00 H new ATOM 0 HG2 LYS A 252 6.057 -2.564 11.597 1.00 15.00 H new ATOM 0 HG3 LYS A 252 5.712 -2.566 9.879 1.00 15.00 H new ATOM 0 HD2 LYS A 252 7.838 -1.374 9.431 1.00 15.00 H new ATOM 0 HD3 LYS A 252 8.179 -1.308 11.149 1.00 15.00 H new ATOM 0 HE2 LYS A 252 9.400 -3.163 10.074 1.00 15.00 H new ATOM 0 HE3 LYS A 252 8.268 -3.763 11.270 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 8.229 -5.031 9.188 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 6.720 -4.334 9.536 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 7.719 -3.646 8.348 1.00 15.00 H new ATOM 358 N ASN A 253 3.021 1.415 10.475 1.00 15.00 N ATOM 359 CA ASN A 253 2.519 2.765 10.729 1.00 15.00 C ATOM 360 C ASN A 253 1.003 2.836 10.578 1.00 15.00 C ATOM 361 O ASN A 253 0.403 3.873 10.866 1.00 15.00 O ATOM 362 CB ASN A 253 3.166 3.781 9.779 1.00 15.00 C ATOM 363 CG ASN A 253 4.668 3.925 9.968 1.00 15.00 C ATOM 364 OD1 ASN A 253 5.401 4.173 9.011 1.00 15.00 O ATOM 365 ND2 ASN A 253 5.134 3.795 11.199 1.00 15.00 N ATOM 0 H ASN A 253 2.968 1.120 9.500 1.00 15.00 H new ATOM 0 HA ASN A 253 2.783 3.012 11.757 1.00 15.00 H new ATOM 0 HB2 ASN A 253 2.965 3.482 8.750 1.00 15.00 H new ATOM 0 HB3 ASN A 253 2.695 4.753 9.926 1.00 15.00 H new ATOM 0 HD21 ASN A 253 6.132 3.901 11.380 1.00 15.00 H new ATOM 0 HD22 ASN A 253 4.495 3.589 11.967 1.00 15.00 H new ATOM 372 N LYS A 254 0.392 1.742 10.109 1.00 15.00 N ATOM 373 CA LYS A 254 -1.062 1.677 9.930 1.00 15.00 C ATOM 374 C LYS A 254 -1.506 2.708 8.878 1.00 15.00 C ATOM 375 O LYS A 254 -2.570 3.318 8.980 1.00 15.00 O ATOM 376 CB LYS A 254 -1.756 1.925 11.283 1.00 15.00 C ATOM 377 CG LYS A 254 -3.273 1.786 11.266 1.00 15.00 C ATOM 378 CD LYS A 254 -3.908 2.595 12.386 1.00 15.00 C ATOM 379 CE LYS A 254 -3.554 4.072 12.266 1.00 15.00 C ATOM 380 NZ LYS A 254 -4.107 4.882 13.383 1.00 15.00 N1+ ATOM 0 H LYS A 254 0.884 0.888 9.846 1.00 15.00 H new ATOM 0 HA LYS A 254 -1.347 0.688 9.572 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -1.351 1.226 12.015 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -1.502 2.928 11.625 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -3.662 2.122 10.305 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -3.547 0.736 11.371 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -4.991 2.474 12.357 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -3.570 2.214 13.350 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -2.470 4.182 12.244 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -3.933 4.457 11.319 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -3.839 5.879 13.255 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -5.144 4.801 13.390 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -3.726 4.534 14.286 1.00 15.00 H new ATOM 394 N THR A 255 -0.704 2.858 7.836 1.00 15.00 N ATOM 395 CA THR A 255 -0.947 3.900 6.835 1.00 15.00 C ATOM 396 C THR A 255 -1.065 3.327 5.418 1.00 15.00 C ATOM 397 O THR A 255 -0.487 2.282 5.120 1.00 15.00 O ATOM 398 CB THR A 255 0.148 4.985 6.873 1.00 15.00 C ATOM 399 OG1 THR A 255 1.444 4.384 6.996 1.00 15.00 O ATOM 400 CG2 THR A 255 -0.085 5.944 8.029 1.00 15.00 C ATOM 0 H THR A 255 0.117 2.279 7.656 1.00 15.00 H new ATOM 0 HA THR A 255 -1.903 4.356 7.094 1.00 15.00 H new ATOM 0 HB THR A 255 0.102 5.544 5.939 1.00 15.00 H new ATOM 0 HG1 THR A 255 2.129 5.085 7.017 1.00 15.00 H new ATOM 0 HG21 THR A 255 0.699 6.701 8.037 1.00 15.00 H new ATOM 0 HG22 THR A 255 -1.055 6.427 7.911 1.00 15.00 H new ATOM 0 HG23 THR A 255 -0.066 5.392 8.969 1.00 15.00 H new ATOM 408 N THR A 256 -1.845 3.985 4.557 1.00 15.00 N ATOM 409 CA THR A 256 -2.030 3.509 3.193 1.00 15.00 C ATOM 410 C THR A 256 -1.554 4.545 2.167 1.00 15.00 C ATOM 411 O THR A 256 -1.858 5.738 2.281 1.00 15.00 O ATOM 412 CB THR A 256 -3.511 3.185 2.914 1.00 15.00 C ATOM 413 OG1 THR A 256 -4.109 2.579 4.064 1.00 15.00 O ATOM 414 CG2 THR A 256 -3.643 2.241 1.727 1.00 15.00 C ATOM 0 H THR A 256 -2.353 4.841 4.781 1.00 15.00 H new ATOM 0 HA THR A 256 -1.432 2.603 3.094 1.00 15.00 H new ATOM 0 HB THR A 256 -4.023 4.120 2.684 1.00 15.00 H new ATOM 0 HG1 THR A 256 -5.050 2.379 3.876 1.00 15.00 H new ATOM 0 HG21 THR A 256 -4.697 2.026 1.548 1.00 15.00 H new ATOM 0 HG22 THR A 256 -3.213 2.708 0.841 1.00 15.00 H new ATOM 0 HG23 THR A 256 -3.114 1.312 1.940 1.00 15.00 H new ATOM 422 N SER A 257 -0.791 4.087 1.184 1.00 15.00 N ATOM 423 CA SER A 257 -0.370 4.920 0.058 1.00 15.00 C ATOM 424 C SER A 257 -0.193 4.037 -1.171 1.00 15.00 C ATOM 425 O SER A 257 0.403 2.979 -1.071 1.00 15.00 O ATOM 426 CB SER A 257 0.934 5.649 0.387 1.00 15.00 C ATOM 427 OG SER A 257 0.770 6.500 1.510 1.00 15.00 O ATOM 0 H SER A 257 -0.445 3.128 1.142 1.00 15.00 H new ATOM 0 HA SER A 257 -1.132 5.673 -0.142 1.00 15.00 H new ATOM 0 HB2 SER A 257 1.721 4.922 0.589 1.00 15.00 H new ATOM 0 HB3 SER A 257 1.255 6.235 -0.474 1.00 15.00 H new ATOM 0 HG SER A 257 1.267 6.136 2.272 1.00 15.00 H new ATOM 433 N TRP A 258 -0.677 4.485 -2.324 1.00 15.00 N ATOM 434 CA TRP A 258 -0.750 3.636 -3.521 1.00 15.00 C ATOM 435 C TRP A 258 0.622 3.114 -3.972 1.00 15.00 C ATOM 436 O TRP A 258 0.899 1.918 -3.897 1.00 15.00 O ATOM 437 CB TRP A 258 -1.388 4.400 -4.688 1.00 15.00 C ATOM 438 CG TRP A 258 -2.849 4.706 -4.522 1.00 15.00 C ATOM 439 CD1 TRP A 258 -3.404 5.927 -4.267 1.00 15.00 C ATOM 440 CD2 TRP A 258 -3.941 3.783 -4.620 1.00 15.00 C ATOM 441 NE1 TRP A 258 -4.773 5.820 -4.204 1.00 15.00 N ATOM 442 CE2 TRP A 258 -5.125 4.514 -4.420 1.00 15.00 C ATOM 443 CE3 TRP A 258 -4.032 2.411 -4.860 1.00 15.00 C ATOM 444 CZ2 TRP A 258 -6.382 3.918 -4.455 1.00 15.00 C ATOM 445 CZ3 TRP A 258 -5.279 1.821 -4.893 1.00 15.00 C ATOM 446 CH2 TRP A 258 -6.439 2.574 -4.694 1.00 15.00 C ATOM 0 H TRP A 258 -1.027 5.433 -2.461 1.00 15.00 H new ATOM 0 HA TRP A 258 -1.364 2.779 -3.242 1.00 15.00 H new ATOM 0 HB2 TRP A 258 -0.849 5.337 -4.827 1.00 15.00 H new ATOM 0 HB3 TRP A 258 -1.255 3.818 -5.600 1.00 15.00 H new ATOM 0 HD1 TRP A 258 -2.848 6.844 -4.134 1.00 15.00 H new ATOM 0 HE1 TRP A 258 -5.421 6.588 -4.026 1.00 15.00 H new ATOM 0 HE3 TRP A 258 -3.141 1.821 -5.017 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 -7.280 4.497 -4.299 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -5.360 0.760 -5.076 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -7.401 2.084 -4.730 1.00 15.00 H new ATOM 457 N LEU A 259 1.475 4.020 -4.426 1.00 15.00 N ATOM 458 CA LEU A 259 2.695 3.650 -5.140 1.00 15.00 C ATOM 459 C LEU A 259 3.959 3.821 -4.313 1.00 15.00 C ATOM 460 O LEU A 259 3.974 4.544 -3.315 1.00 15.00 O ATOM 461 CB LEU A 259 2.805 4.402 -6.462 1.00 15.00 C ATOM 462 CG LEU A 259 1.985 3.781 -7.592 1.00 15.00 C ATOM 463 CD1 LEU A 259 2.278 4.472 -8.913 1.00 15.00 C ATOM 464 CD2 LEU A 259 2.277 2.289 -7.687 1.00 15.00 C ATOM 0 H LEU A 259 1.346 5.025 -4.313 1.00 15.00 H new ATOM 0 HA LEU A 259 2.610 2.583 -5.346 1.00 15.00 H new ATOM 0 HB2 LEU A 259 2.480 5.432 -6.312 1.00 15.00 H new ATOM 0 HB3 LEU A 259 3.852 4.439 -6.763 1.00 15.00 H new ATOM 0 HG LEU A 259 0.926 3.917 -7.371 1.00 15.00 H new ATOM 0 HD11 LEU A 259 1.683 4.014 -9.703 1.00 15.00 H new ATOM 0 HD12 LEU A 259 2.024 5.529 -8.835 1.00 15.00 H new ATOM 0 HD13 LEU A 259 3.337 4.370 -9.150 1.00 15.00 H new ATOM 0 HD21 LEU A 259 1.689 1.854 -8.495 1.00 15.00 H new ATOM 0 HD22 LEU A 259 3.338 2.138 -7.888 1.00 15.00 H new ATOM 0 HD23 LEU A 259 2.014 1.806 -6.746 1.00 15.00 H new ATOM 476 N ASP A 260 5.016 3.137 -4.762 1.00 15.00 N ATOM 477 CA ASP A 260 6.280 3.039 -4.035 1.00 15.00 C ATOM 478 C ASP A 260 6.881 4.420 -3.809 1.00 15.00 C ATOM 479 O ASP A 260 7.308 5.104 -4.744 1.00 15.00 O ATOM 480 CB ASP A 260 7.260 2.173 -4.841 1.00 15.00 C ATOM 481 CG ASP A 260 8.554 1.861 -4.110 1.00 15.00 C ATOM 482 OD1 ASP A 260 9.133 2.766 -3.475 1.00 15.00 O ATOM 483 OD2 ASP A 260 9.017 0.702 -4.203 1.00 15.00 O1- ATOM 0 H ASP A 260 5.016 2.632 -5.648 1.00 15.00 H new ATOM 0 HA ASP A 260 6.093 2.583 -3.063 1.00 15.00 H new ATOM 0 HB2 ASP A 260 6.769 1.236 -5.105 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.496 2.683 -5.775 1.00 15.00 H new ATOM 488 N PRO A 261 6.891 4.843 -2.540 1.00 15.00 N ATOM 489 CA PRO A 261 7.320 6.178 -2.132 1.00 15.00 C ATOM 490 C PRO A 261 8.834 6.334 -2.045 1.00 15.00 C ATOM 491 O PRO A 261 9.343 7.444 -1.902 1.00 15.00 O ATOM 492 CB PRO A 261 6.683 6.314 -0.753 1.00 15.00 C ATOM 493 CG PRO A 261 6.696 4.931 -0.208 1.00 15.00 C ATOM 494 CD PRO A 261 6.472 4.027 -1.384 1.00 15.00 C ATOM 0 HA PRO A 261 7.023 6.941 -2.852 1.00 15.00 H new ATOM 0 HB2 PRO A 261 7.248 6.997 -0.119 1.00 15.00 H new ATOM 0 HB3 PRO A 261 5.668 6.706 -0.820 1.00 15.00 H new ATOM 0 HG2 PRO A 261 7.646 4.711 0.279 1.00 15.00 H new ATOM 0 HG3 PRO A 261 5.916 4.799 0.541 1.00 15.00 H new ATOM 0 HD2 PRO A 261 7.061 3.114 -1.304 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.427 3.726 -1.464 1.00 15.00 H new ATOM 502 N ARG A 262 9.552 5.221 -2.103 1.00 15.00 N ATOM 503 CA ARG A 262 11.003 5.251 -2.010 1.00 15.00 C ATOM 504 C ARG A 262 11.612 5.633 -3.360 1.00 15.00 C ATOM 505 O ARG A 262 12.812 5.872 -3.474 1.00 15.00 O ATOM 506 CB ARG A 262 11.548 3.913 -1.488 1.00 15.00 C ATOM 507 CG ARG A 262 13.066 3.871 -1.329 1.00 15.00 C ATOM 508 CD ARG A 262 13.553 4.732 -0.164 1.00 15.00 C ATOM 509 NE ARG A 262 13.236 6.155 -0.324 1.00 15.00 N ATOM 510 CZ ARG A 262 13.565 7.097 0.562 1.00 15.00 C ATOM 511 NH1 ARG A 262 14.295 6.785 1.631 1.00 15.00 N1+ ATOM 512 NH2 ARG A 262 13.178 8.356 0.375 1.00 15.00 N ATOM 0 H ARG A 262 9.154 4.289 -2.214 1.00 15.00 H new ATOM 0 HA ARG A 262 11.294 6.014 -1.288 1.00 15.00 H new ATOM 0 HB2 ARG A 262 11.087 3.698 -0.524 1.00 15.00 H new ATOM 0 HB3 ARG A 262 11.244 3.119 -2.170 1.00 15.00 H new ATOM 0 HG2 ARG A 262 13.384 2.840 -1.173 1.00 15.00 H new ATOM 0 HG3 ARG A 262 13.535 4.213 -2.251 1.00 15.00 H new ATOM 0 HD2 ARG A 262 13.104 4.368 0.760 1.00 15.00 H new ATOM 0 HD3 ARG A 262 14.632 4.616 -0.062 1.00 15.00 H new ATOM 0 HE ARG A 262 12.733 6.442 -1.164 1.00 15.00 H new ATOM 0 HH11 ARG A 262 14.604 5.824 1.774 1.00 15.00 H new ATOM 0 HH12 ARG A 262 14.545 7.507 2.306 1.00 15.00 H new ATOM 0 HH21 ARG A 262 12.628 8.604 -0.448 1.00 15.00 H new ATOM 0 HH22 ARG A 262 13.431 9.074 1.054 1.00 15.00 H new ATOM 526 N LEU A 263 10.773 5.667 -4.380 1.00 15.00 N ATOM 527 CA LEU A 263 11.175 6.114 -5.710 1.00 15.00 C ATOM 528 C LEU A 263 11.413 7.625 -5.753 1.00 15.00 C ATOM 529 O LEU A 263 11.914 8.149 -6.747 1.00 15.00 O ATOM 530 CB LEU A 263 10.111 5.736 -6.741 1.00 15.00 C ATOM 531 CG LEU A 263 10.006 4.242 -7.052 1.00 15.00 C ATOM 532 CD1 LEU A 263 8.834 3.975 -7.983 1.00 15.00 C ATOM 533 CD2 LEU A 263 11.305 3.740 -7.664 1.00 15.00 C ATOM 0 H LEU A 263 9.794 5.387 -4.314 1.00 15.00 H new ATOM 0 HA LEU A 263 12.114 5.615 -5.950 1.00 15.00 H new ATOM 0 HB2 LEU A 263 9.142 6.085 -6.384 1.00 15.00 H new ATOM 0 HB3 LEU A 263 10.321 6.270 -7.668 1.00 15.00 H new ATOM 0 HG LEU A 263 9.832 3.702 -6.121 1.00 15.00 H new ATOM 0 HD11 LEU A 263 8.773 2.907 -8.194 1.00 15.00 H new ATOM 0 HD12 LEU A 263 7.910 4.304 -7.508 1.00 15.00 H new ATOM 0 HD13 LEU A 263 8.978 4.522 -8.915 1.00 15.00 H new ATOM 0 HD21 LEU A 263 11.218 2.675 -7.881 1.00 15.00 H new ATOM 0 HD22 LEU A 263 11.506 4.283 -8.587 1.00 15.00 H new ATOM 0 HD23 LEU A 263 12.124 3.901 -6.963 1.00 15.00 H new ATOM 545 N ASP A 264 11.036 8.320 -4.680 1.00 15.00 N ATOM 546 CA ASP A 264 11.036 9.787 -4.666 1.00 15.00 C ATOM 547 C ASP A 264 12.410 10.448 -4.935 1.00 15.00 C ATOM 548 O ASP A 264 12.443 11.533 -5.518 1.00 15.00 O ATOM 549 CB ASP A 264 10.419 10.336 -3.364 1.00 15.00 C ATOM 550 CG ASP A 264 11.385 10.372 -2.191 1.00 15.00 C ATOM 551 OD1 ASP A 264 11.581 9.327 -1.533 1.00 15.00 O ATOM 552 OD2 ASP A 264 11.943 11.456 -1.909 1.00 15.00 O1- ATOM 0 H ASP A 264 10.726 7.892 -3.807 1.00 15.00 H new ATOM 0 HA ASP A 264 10.411 10.065 -5.514 1.00 15.00 H new ATOM 0 HB2 ASP A 264 10.047 11.344 -3.547 1.00 15.00 H new ATOM 0 HB3 ASP A 264 9.559 9.723 -3.095 1.00 15.00 H new ATOM 557 N PRO A 265 13.553 9.871 -4.493 1.00 15.00 N ATOM 558 CA PRO A 265 14.882 10.428 -4.797 1.00 15.00 C ATOM 559 C PRO A 265 15.251 10.294 -6.277 1.00 15.00 C ATOM 560 O PRO A 265 14.897 11.191 -7.068 1.00 15.00 O ATOM 561 CB PRO A 265 15.827 9.586 -3.933 1.00 15.00 C ATOM 562 CG PRO A 265 15.101 8.305 -3.729 1.00 15.00 C ATOM 563 CD PRO A 265 13.654 8.682 -3.642 1.00 15.00 C ATOM 564 OXT PRO A 265 15.901 9.294 -6.646 1.00 15.00 O ATOM 0 HA PRO A 265 14.929 11.497 -4.590 1.00 15.00 H new ATOM 0 HB2 PRO A 265 16.783 9.426 -4.431 1.00 15.00 H new ATOM 0 HB3 PRO A 265 16.040 10.077 -2.984 1.00 15.00 H new ATOM 0 HG2 PRO A 265 15.279 7.616 -4.554 1.00 15.00 H new ATOM 0 HG3 PRO A 265 15.433 7.805 -2.819 1.00 15.00 H new ATOM 0 HD2 PRO A 265 13.009 7.879 -3.998 1.00 15.00 H new ATOM 0 HD3 PRO A 265 13.357 8.898 -2.616 1.00 15.00 H new ATOM 573 N SER B 206 -6.736 10.664 -5.075 1.00 15.00 N ATOM 574 CA SER B 206 -7.772 9.687 -4.686 1.00 15.00 C ATOM 575 C SER B 206 -7.322 8.894 -3.465 1.00 15.00 C ATOM 576 O SER B 206 -6.278 8.239 -3.489 1.00 15.00 O ATOM 577 CB SER B 206 -8.047 8.742 -5.855 1.00 15.00 C ATOM 578 OG SER B 206 -8.440 9.470 -7.010 1.00 15.00 O ATOM 0 HA SER B 206 -8.687 10.221 -4.431 1.00 15.00 H new ATOM 0 HB2 SER B 206 -7.153 8.158 -6.074 1.00 15.00 H new ATOM 0 HB3 SER B 206 -8.830 8.035 -5.581 1.00 15.00 H new ATOM 0 HG SER B 206 -8.002 10.346 -7.009 1.00 15.00 H new ATOM 586 N PRO B 207 -8.099 8.964 -2.375 1.00 15.00 N ATOM 587 CA PRO B 207 -7.786 8.258 -1.130 1.00 15.00 C ATOM 588 C PRO B 207 -7.801 6.742 -1.300 1.00 15.00 C ATOM 589 O PRO B 207 -8.747 6.176 -1.859 1.00 15.00 O ATOM 590 CB PRO B 207 -8.898 8.703 -0.172 1.00 15.00 C ATOM 591 CG PRO B 207 -10.004 9.172 -1.053 1.00 15.00 C ATOM 592 CD PRO B 207 -9.341 9.746 -2.271 1.00 15.00 C ATOM 0 HA PRO B 207 -6.783 8.492 -0.774 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.223 7.880 0.464 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -8.555 9.500 0.488 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -10.667 8.349 -1.320 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.614 9.922 -0.549 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -9.963 9.634 -3.159 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -9.138 10.811 -2.156 1.00 15.00 H new ATOM 600 N PRO B 208 -6.747 6.069 -0.823 1.00 15.00 N ATOM 601 CA PRO B 208 -6.642 4.613 -0.877 1.00 15.00 C ATOM 602 C PRO B 208 -7.525 3.949 0.173 1.00 15.00 C ATOM 603 O PRO B 208 -7.713 4.494 1.264 1.00 15.00 O ATOM 604 CB PRO B 208 -5.157 4.343 -0.569 1.00 15.00 C ATOM 605 CG PRO B 208 -4.494 5.681 -0.561 1.00 15.00 C ATOM 606 CD PRO B 208 -5.564 6.663 -0.193 1.00 15.00 C ATOM 0 HA PRO B 208 -6.967 4.213 -1.838 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.042 3.844 0.393 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.714 3.691 -1.322 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -3.675 5.707 0.158 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -4.069 5.913 -1.538 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -5.679 6.756 0.887 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -5.353 7.661 -0.578 1.00 15.00 H new ATOM 614 N PRO B 209 -8.075 2.767 -0.146 1.00 15.00 N ATOM 615 CA PRO B 209 -8.871 1.968 0.792 1.00 15.00 C ATOM 616 C PRO B 209 -8.163 1.770 2.131 1.00 15.00 C ATOM 617 O PRO B 209 -6.940 1.604 2.178 1.00 15.00 O ATOM 618 CB PRO B 209 -9.042 0.621 0.071 1.00 15.00 C ATOM 619 CG PRO B 209 -8.114 0.666 -1.099 1.00 15.00 C ATOM 620 CD PRO B 209 -7.976 2.114 -1.453 1.00 15.00 C ATOM 0 HA PRO B 209 -9.815 2.455 1.037 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -8.798 -0.210 0.732 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -10.073 0.479 -0.253 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -7.147 0.231 -0.848 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -8.513 0.095 -1.937 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -7.024 2.324 -1.941 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -8.762 2.443 -2.132 1.00 15.00 H new ATOM 628 N PRO B 210 -8.936 1.773 3.228 1.00 15.00 N ATOM 629 CA PRO B 210 -8.401 1.659 4.588 1.00 15.00 C ATOM 630 C PRO B 210 -7.490 0.450 4.771 1.00 15.00 C ATOM 631 O PRO B 210 -7.796 -0.654 4.315 1.00 15.00 O ATOM 632 CB PRO B 210 -9.654 1.511 5.454 1.00 15.00 C ATOM 633 CG PRO B 210 -10.738 2.149 4.664 1.00 15.00 C ATOM 634 CD PRO B 210 -10.405 1.885 3.224 1.00 15.00 C ATOM 0 HA PRO B 210 -7.781 2.518 4.844 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -9.875 0.463 5.654 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -9.528 2.000 6.420 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.710 1.729 4.924 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -10.789 3.219 4.864 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.877 0.971 2.864 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.744 2.695 2.578 1.00 15.00 H new ATOM 642 N TYR B 211 -6.386 0.671 5.468 1.00 15.00 N ATOM 643 CA TYR B 211 -5.408 -0.376 5.750 1.00 15.00 C ATOM 644 C TYR B 211 -5.973 -1.433 6.712 1.00 15.00 C ATOM 645 O TYR B 211 -5.381 -2.497 6.900 1.00 15.00 O ATOM 646 CB TYR B 211 -4.128 0.270 6.316 1.00 15.00 C ATOM 647 CG TYR B 211 -3.316 -0.618 7.234 1.00 15.00 C ATOM 648 CD1 TYR B 211 -2.515 -1.634 6.733 1.00 15.00 C ATOM 649 CD2 TYR B 211 -3.367 -0.441 8.610 1.00 15.00 C ATOM 650 CE1 TYR B 211 -1.794 -2.453 7.579 1.00 15.00 C ATOM 651 CE2 TYR B 211 -2.645 -1.248 9.461 1.00 15.00 C ATOM 652 CZ TYR B 211 -1.859 -2.253 8.942 1.00 15.00 C ATOM 653 OH TYR B 211 -1.151 -3.075 9.785 1.00 15.00 O ATOM 0 H TYR B 211 -6.140 1.582 5.856 1.00 15.00 H new ATOM 0 HA TYR B 211 -5.168 -0.896 4.822 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -3.497 0.580 5.483 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -4.405 1.173 6.860 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -2.455 -1.787 5.666 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -3.984 0.344 9.021 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -1.182 -3.246 7.175 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -2.695 -1.094 10.529 1.00 15.00 H new ATOM 0 HH TYR B 211 -1.303 -2.801 10.713 1.00 15.00 H new ATOM 663 N SER B 212 -7.131 -1.150 7.294 1.00 15.00 N ATOM 664 CA SER B 212 -7.714 -2.028 8.296 1.00 15.00 C ATOM 665 C SER B 212 -7.985 -3.423 7.732 1.00 15.00 C ATOM 666 O SER B 212 -7.783 -4.426 8.423 1.00 15.00 O ATOM 667 CB SER B 212 -8.992 -1.410 8.858 1.00 15.00 C ATOM 668 OG SER B 212 -9.812 -0.900 7.821 1.00 15.00 O ATOM 0 H SER B 212 -7.684 -0.318 7.088 1.00 15.00 H new ATOM 0 HA SER B 212 -6.994 -2.141 9.106 1.00 15.00 H new ATOM 0 HB2 SER B 212 -9.543 -2.160 9.426 1.00 15.00 H new ATOM 0 HB3 SER B 212 -8.737 -0.609 9.552 1.00 15.00 H new ATOM 0 HG SER B 212 -10.624 -0.511 8.208 1.00 15.00 H new ATOM 674 N ARG B 213 -8.454 -3.496 6.491 1.00 15.00 N ATOM 675 CA ARG B 213 -8.624 -4.784 5.843 1.00 15.00 C ATOM 676 C ARG B 213 -8.449 -4.643 4.334 1.00 15.00 C ATOM 677 O ARG B 213 -8.506 -3.540 3.798 1.00 15.00 O ATOM 678 CB ARG B 213 -9.985 -5.387 6.154 1.00 15.00 C ATOM 679 CG ARG B 213 -9.936 -6.900 6.155 1.00 15.00 C ATOM 680 CD ARG B 213 -9.608 -7.417 7.547 1.00 15.00 C ATOM 681 NE ARG B 213 -10.496 -6.829 8.552 1.00 15.00 N ATOM 682 CZ ARG B 213 -10.310 -6.898 9.869 1.00 15.00 C ATOM 683 NH1 ARG B 213 -9.299 -7.594 10.378 1.00 15.00 N1+ ATOM 684 NH2 ARG B 213 -11.153 -6.273 10.679 1.00 15.00 N ATOM 0 H ARG B 213 -8.719 -2.690 5.924 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.860 -5.456 6.233 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.327 -5.033 7.126 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -10.712 -5.046 5.417 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -10.895 -7.302 5.827 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -9.185 -7.247 5.445 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -9.701 -8.503 7.566 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.572 -7.182 7.791 1.00 15.00 H new ATOM 0 HE ARG B 213 -11.320 -6.329 8.218 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -8.654 -8.084 9.758 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -9.168 -7.638 11.389 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -11.936 -5.745 10.292 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -11.019 -6.320 11.689 1.00 15.00 H new ATOM 698 N TYR B 214 -8.274 -5.769 3.652 1.00 15.00 N ATOM 699 CA TYR B 214 -7.901 -5.759 2.241 1.00 15.00 C ATOM 700 C TYR B 214 -9.147 -5.874 1.376 1.00 15.00 C ATOM 701 O TYR B 214 -9.795 -6.921 1.345 1.00 15.00 O ATOM 702 CB TYR B 214 -6.916 -6.906 1.931 1.00 15.00 C ATOM 703 CG TYR B 214 -5.770 -7.024 2.929 1.00 15.00 C ATOM 704 CD1 TYR B 214 -5.571 -6.052 3.896 1.00 15.00 C ATOM 705 CD2 TYR B 214 -4.916 -8.121 2.927 1.00 15.00 C ATOM 706 CE1 TYR B 214 -4.577 -6.154 4.826 1.00 15.00 C ATOM 707 CE2 TYR B 214 -3.896 -8.232 3.860 1.00 15.00 C ATOM 708 CZ TYR B 214 -3.734 -7.244 4.813 1.00 15.00 C ATOM 709 OH TYR B 214 -2.728 -7.349 5.755 1.00 15.00 O ATOM 0 H TYR B 214 -8.384 -6.701 4.052 1.00 15.00 H new ATOM 0 HA TYR B 214 -7.403 -4.816 2.016 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -7.465 -7.847 1.910 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -6.502 -6.757 0.934 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -6.221 -5.189 3.915 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -5.049 -8.898 2.188 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -4.451 -5.382 5.571 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -3.233 -9.084 3.842 1.00 15.00 H new ATOM 0 HH TYR B 214 -2.225 -8.177 5.606 1.00 15.00 H new ATOM 719 N PRO B 215 -9.510 -4.781 0.687 1.00 15.00 N ATOM 720 CA PRO B 215 -10.743 -4.711 -0.102 1.00 15.00 C ATOM 721 C PRO B 215 -10.727 -5.628 -1.319 1.00 15.00 C ATOM 722 O PRO B 215 -9.826 -5.564 -2.159 1.00 15.00 O ATOM 723 CB PRO B 215 -10.805 -3.247 -0.542 1.00 15.00 C ATOM 724 CG PRO B 215 -9.390 -2.792 -0.522 1.00 15.00 C ATOM 725 CD PRO B 215 -8.751 -3.520 0.623 1.00 15.00 C ATOM 0 HA PRO B 215 -11.605 -5.038 0.480 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -11.239 -3.150 -1.537 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -11.422 -2.655 0.134 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -8.890 -3.024 -1.462 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -9.327 -1.712 -0.385 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -7.690 -3.697 0.446 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -8.829 -2.956 1.552 1.00 15.00 H new