USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 287 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 392 THR OG1 : rot 180:sc= 0.0601 USER MOD Set 1.2: A 394 THR OG1 : rot 89:sc= 0.0288 USER MOD Set 2.1: A 388 ASN : amide:sc= -0.049 K(o=-0.049,f=-0.59) USER MOD Set 2.2: A 390 THR OG1 : rot -150:sc= 0 USER MOD Set 3.1: A 375 LYS NZ :NH3+ -174:sc= 0.563 (180deg=-0.086) USER MOD Set 3.2: A 381 THR OG1 : rot -120:sc= 0.522 USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 378 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 382 TYR OH : rot 101:sc= 2.24 USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 385 ASN :FLIP amide:sc= -4.26! C(o=-6.3!,f=-4.3!) USER MOD Single : A 386 HIS : no HD1:sc= -7.49! C(o=-7.5!,f=-12!) USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 391 THR OG1 : rot 82:sc= -1.01! USER MOD Single : B 184 TYR OH : rot 180:sc= -2.75! USER MOD Single : B 186 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 368 7.922 -3.189 2.965 1.00 15.00 N ATOM 28 CA PRO A 368 8.307 -3.266 4.354 1.00 15.00 C ATOM 29 C PRO A 368 7.420 -4.213 5.145 1.00 15.00 C ATOM 30 O PRO A 368 6.206 -4.295 4.936 1.00 15.00 O ATOM 31 CB PRO A 368 8.096 -1.839 4.835 1.00 15.00 C ATOM 32 CG PRO A 368 6.908 -1.395 4.068 1.00 15.00 C ATOM 33 CD PRO A 368 7.027 -2.058 2.728 1.00 15.00 C ATOM 0 HA PRO A 368 9.321 -3.644 4.483 1.00 15.00 H new ATOM 0 HB2 PRO A 368 7.920 -1.798 5.910 1.00 15.00 H new ATOM 0 HB3 PRO A 368 8.964 -1.213 4.631 1.00 15.00 H new ATOM 0 HG2 PRO A 368 5.985 -1.686 4.570 1.00 15.00 H new ATOM 0 HG3 PRO A 368 6.888 -0.310 3.969 1.00 15.00 H new ATOM 0 HD2 PRO A 368 6.056 -2.389 2.360 1.00 15.00 H new ATOM 0 HD3 PRO A 368 7.435 -1.377 1.982 1.00 15.00 H new ATOM 41 N SER A 369 8.042 -4.895 6.067 1.00 15.00 N ATOM 42 CA SER A 369 7.365 -5.860 6.910 1.00 15.00 C ATOM 43 C SER A 369 6.427 -5.139 7.883 1.00 15.00 C ATOM 44 O SER A 369 6.887 -4.435 8.784 1.00 15.00 O ATOM 45 CB SER A 369 8.401 -6.676 7.681 1.00 15.00 C ATOM 46 OG SER A 369 9.417 -7.157 6.812 1.00 15.00 O ATOM 0 H SER A 369 9.039 -4.801 6.261 1.00 15.00 H new ATOM 0 HA SER A 369 6.772 -6.531 6.289 1.00 15.00 H new ATOM 0 HB2 SER A 369 8.847 -6.060 8.462 1.00 15.00 H new ATOM 0 HB3 SER A 369 7.913 -7.515 8.176 1.00 15.00 H new ATOM 0 HG SER A 369 10.070 -7.675 7.327 1.00 15.00 H new ATOM 52 N GLY A 370 5.119 -5.271 7.680 1.00 15.00 N ATOM 53 CA GLY A 370 4.176 -4.620 8.561 1.00 15.00 C ATOM 54 C GLY A 370 2.964 -4.114 7.814 1.00 15.00 C ATOM 55 O GLY A 370 1.928 -3.826 8.412 1.00 15.00 O ATOM 0 H GLY A 370 4.701 -5.815 6.925 1.00 15.00 H new ATOM 0 HA2 GLY A 370 3.860 -5.319 9.335 1.00 15.00 H new ATOM 0 HA3 GLY A 370 4.666 -3.787 9.065 1.00 15.00 H new ATOM 59 N TRP A 371 3.114 -3.929 6.513 1.00 15.00 N ATOM 60 CA TRP A 371 2.001 -3.611 5.656 1.00 15.00 C ATOM 61 C TRP A 371 1.619 -4.824 4.816 1.00 15.00 C ATOM 62 O TRP A 371 2.458 -5.681 4.540 1.00 15.00 O ATOM 63 CB TRP A 371 2.395 -2.486 4.709 1.00 15.00 C ATOM 64 CG TRP A 371 3.048 -1.295 5.352 1.00 15.00 C ATOM 65 CD1 TRP A 371 3.717 -1.223 6.534 1.00 15.00 C ATOM 66 CD2 TRP A 371 3.078 0.007 4.807 1.00 15.00 C ATOM 67 NE1 TRP A 371 4.185 0.049 6.733 1.00 15.00 N ATOM 68 CE2 TRP A 371 3.793 0.832 5.682 1.00 15.00 C ATOM 69 CE3 TRP A 371 2.561 0.532 3.653 1.00 15.00 C ATOM 70 CZ2 TRP A 371 3.998 2.186 5.424 1.00 15.00 C ATOM 71 CZ3 TRP A 371 2.747 1.878 3.382 1.00 15.00 C ATOM 72 CH2 TRP A 371 3.464 2.693 4.269 1.00 15.00 C ATOM 0 H TRP A 371 4.010 -3.996 6.030 1.00 15.00 H new ATOM 0 HA TRP A 371 1.159 -3.311 6.280 1.00 15.00 H new ATOM 0 HB2 TRP A 371 3.074 -2.889 3.958 1.00 15.00 H new ATOM 0 HB3 TRP A 371 1.502 -2.148 4.183 1.00 15.00 H new ATOM 0 HD1 TRP A 371 3.859 -2.048 7.216 1.00 15.00 H new ATOM 0 HE1 TRP A 371 4.735 0.361 7.533 1.00 15.00 H new ATOM 0 HE3 TRP A 371 2.015 -0.095 2.963 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 4.555 2.810 6.107 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 2.336 2.303 2.479 1.00 15.00 H new ATOM 0 HH2 TRP A 371 3.598 3.739 4.038 1.00 15.00 H new ATOM 83 N GLU A 372 0.366 -4.882 4.388 1.00 15.00 N ATOM 84 CA GLU A 372 -0.027 -5.855 3.386 1.00 15.00 C ATOM 85 C GLU A 372 -0.044 -5.133 2.049 1.00 15.00 C ATOM 86 O GLU A 372 -0.243 -3.920 2.019 1.00 15.00 O ATOM 87 CB GLU A 372 -1.404 -6.501 3.670 1.00 15.00 C ATOM 88 CG GLU A 372 -1.656 -6.854 5.126 1.00 15.00 C ATOM 89 CD GLU A 372 -0.573 -7.718 5.734 1.00 15.00 C ATOM 90 OE1 GLU A 372 -0.456 -8.900 5.350 1.00 15.00 O ATOM 91 OE2 GLU A 372 0.155 -7.222 6.618 1.00 15.00 O1- ATOM 0 H GLU A 372 -0.385 -4.274 4.715 1.00 15.00 H new ATOM 0 HA GLU A 372 0.686 -6.679 3.392 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -2.185 -5.818 3.336 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -1.495 -7.407 3.071 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -1.744 -5.934 5.705 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -2.611 -7.373 5.206 1.00 15.00 H new ATOM 98 N GLU A 373 0.219 -5.827 0.959 1.00 15.00 N ATOM 99 CA GLU A 373 0.183 -5.173 -0.336 1.00 15.00 C ATOM 100 C GLU A 373 -0.688 -5.912 -1.329 1.00 15.00 C ATOM 101 O GLU A 373 -0.793 -7.141 -1.307 1.00 15.00 O ATOM 102 CB GLU A 373 1.570 -5.007 -0.932 1.00 15.00 C ATOM 103 CG GLU A 373 2.345 -6.303 -1.062 1.00 15.00 C ATOM 104 CD GLU A 373 2.951 -6.483 -2.441 1.00 15.00 C ATOM 105 OE1 GLU A 373 3.729 -5.607 -2.882 1.00 15.00 O1- ATOM 106 OE2 GLU A 373 2.649 -7.504 -3.094 1.00 15.00 O ATOM 0 H GLU A 373 0.455 -6.819 0.941 1.00 15.00 H new ATOM 0 HA GLU A 373 -0.247 -4.189 -0.151 1.00 15.00 H new ATOM 0 HB2 GLU A 373 1.478 -4.550 -1.917 1.00 15.00 H new ATOM 0 HB3 GLU A 373 2.140 -4.315 -0.312 1.00 15.00 H new ATOM 0 HG2 GLU A 373 3.138 -6.324 -0.315 1.00 15.00 H new ATOM 0 HG3 GLU A 373 1.682 -7.142 -0.848 1.00 15.00 H new ATOM 113 N ARG A 374 -1.255 -5.143 -2.236 1.00 15.00 N ATOM 114 CA ARG A 374 -2.088 -5.683 -3.297 1.00 15.00 C ATOM 115 C ARG A 374 -1.758 -4.997 -4.611 1.00 15.00 C ATOM 116 O ARG A 374 -1.952 -3.788 -4.765 1.00 15.00 O ATOM 117 CB ARG A 374 -3.584 -5.537 -2.988 1.00 15.00 C ATOM 118 CG ARG A 374 -4.097 -6.530 -1.955 1.00 15.00 C ATOM 119 CD ARG A 374 -5.617 -6.582 -1.922 1.00 15.00 C ATOM 120 NE ARG A 374 -6.213 -5.331 -1.467 1.00 15.00 N ATOM 121 CZ ARG A 374 -7.421 -4.906 -1.832 1.00 15.00 C ATOM 122 NH1 ARG A 374 -8.202 -5.672 -2.580 1.00 15.00 N1+ ATOM 123 NH2 ARG A 374 -7.867 -3.728 -1.414 1.00 15.00 N ATOM 0 H ARG A 374 -1.153 -4.128 -2.261 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.874 -6.749 -3.374 1.00 15.00 H new ATOM 0 HB2 ARG A 374 -3.775 -4.525 -2.632 1.00 15.00 H new ATOM 0 HB3 ARG A 374 -4.150 -5.662 -3.911 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -3.705 -7.522 -2.179 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -3.722 -6.254 -0.969 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -5.990 -6.816 -2.919 1.00 15.00 H new ATOM 0 HD3 ARG A 374 -5.935 -7.391 -1.265 1.00 15.00 H new ATOM 0 HE ARG A 374 -5.672 -4.746 -0.831 1.00 15.00 H new ATOM 0 HH11 ARG A 374 -7.879 -6.592 -2.879 1.00 15.00 H new ATOM 0 HH12 ARG A 374 -9.126 -5.342 -2.857 1.00 15.00 H new ATOM 0 HH21 ARG A 374 -7.284 -3.146 -0.812 1.00 15.00 H new ATOM 0 HH22 ARG A 374 -8.793 -3.404 -1.695 1.00 15.00 H new ATOM 137 N LYS A 375 -1.229 -5.765 -5.547 1.00 15.00 N ATOM 138 CA LYS A 375 -0.902 -5.242 -6.857 1.00 15.00 C ATOM 139 C LYS A 375 -2.077 -5.472 -7.802 1.00 15.00 C ATOM 140 O LYS A 375 -2.338 -6.607 -8.203 1.00 15.00 O ATOM 141 CB LYS A 375 0.356 -5.924 -7.391 1.00 15.00 C ATOM 142 CG LYS A 375 0.941 -5.263 -8.628 1.00 15.00 C ATOM 143 CD LYS A 375 2.273 -5.889 -9.003 1.00 15.00 C ATOM 144 CE LYS A 375 3.248 -5.875 -7.832 1.00 15.00 C ATOM 145 NZ LYS A 375 3.506 -4.494 -7.340 1.00 15.00 N1+ ATOM 0 H LYS A 375 -1.017 -6.755 -5.422 1.00 15.00 H new ATOM 0 HA LYS A 375 -0.709 -4.172 -6.785 1.00 15.00 H new ATOM 0 HB2 LYS A 375 1.112 -5.935 -6.606 1.00 15.00 H new ATOM 0 HB3 LYS A 375 0.123 -6.963 -7.623 1.00 15.00 H new ATOM 0 HG2 LYS A 375 0.243 -5.359 -9.460 1.00 15.00 H new ATOM 0 HG3 LYS A 375 1.075 -4.197 -8.446 1.00 15.00 H new ATOM 0 HD2 LYS A 375 2.113 -6.916 -9.332 1.00 15.00 H new ATOM 0 HD3 LYS A 375 2.706 -5.348 -9.844 1.00 15.00 H new ATOM 0 HE2 LYS A 375 2.848 -6.481 -7.019 1.00 15.00 H new ATOM 0 HE3 LYS A 375 4.189 -6.333 -8.138 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 4.249 -4.518 -6.613 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 3.816 -3.895 -8.132 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 2.634 -4.103 -6.931 1.00 15.00 H new ATOM 159 N ASP A 376 -2.810 -4.411 -8.123 1.00 15.00 N ATOM 160 CA ASP A 376 -4.011 -4.551 -8.930 1.00 15.00 C ATOM 161 C ASP A 376 -3.693 -4.308 -10.405 1.00 15.00 C ATOM 162 O ASP A 376 -2.972 -3.359 -10.743 1.00 15.00 O ATOM 163 CB ASP A 376 -5.089 -3.577 -8.455 1.00 15.00 C ATOM 164 CG ASP A 376 -6.465 -3.969 -8.949 1.00 15.00 C ATOM 165 OD1 ASP A 376 -6.757 -3.759 -10.142 1.00 15.00 O1- ATOM 166 OD2 ASP A 376 -7.254 -4.504 -8.143 1.00 15.00 O ATOM 0 H ASP A 376 -2.595 -3.455 -7.839 1.00 15.00 H new ATOM 0 HA ASP A 376 -4.386 -5.568 -8.817 1.00 15.00 H new ATOM 0 HB2 ASP A 376 -5.091 -3.542 -7.366 1.00 15.00 H new ATOM 0 HB3 ASP A 376 -4.850 -2.573 -8.806 1.00 15.00 H new ATOM 171 N ALA A 377 -4.283 -5.128 -11.281 1.00 15.00 N ATOM 172 CA ALA A 377 -3.961 -5.121 -12.705 1.00 15.00 C ATOM 173 C ALA A 377 -4.457 -3.861 -13.407 1.00 15.00 C ATOM 174 O ALA A 377 -4.246 -3.686 -14.607 1.00 15.00 O ATOM 175 CB ALA A 377 -4.545 -6.355 -13.374 1.00 15.00 C ATOM 0 H ALA A 377 -4.994 -5.811 -11.021 1.00 15.00 H new ATOM 0 HA ALA A 377 -2.875 -5.132 -12.793 1.00 15.00 H new ATOM 0 HB1 ALA A 377 -4.301 -6.343 -14.436 1.00 15.00 H new ATOM 0 HB2 ALA A 377 -4.126 -7.250 -12.915 1.00 15.00 H new ATOM 0 HB3 ALA A 377 -5.628 -6.358 -13.251 1.00 15.00 H new ATOM 181 N LYS A 378 -5.113 -2.981 -12.662 1.00 15.00 N ATOM 182 CA LYS A 378 -5.566 -1.709 -13.210 1.00 15.00 C ATOM 183 C LYS A 378 -4.399 -0.733 -13.365 1.00 15.00 C ATOM 184 O LYS A 378 -4.579 0.414 -13.781 1.00 15.00 O ATOM 185 CB LYS A 378 -6.661 -1.108 -12.323 1.00 15.00 C ATOM 186 CG LYS A 378 -6.241 -0.839 -10.882 1.00 15.00 C ATOM 187 CD LYS A 378 -7.423 -0.330 -10.082 1.00 15.00 C ATOM 188 CE LYS A 378 -7.057 0.015 -8.646 1.00 15.00 C ATOM 189 NZ LYS A 378 -8.134 0.818 -8.010 1.00 15.00 N1+ ATOM 0 H LYS A 378 -5.343 -3.124 -11.679 1.00 15.00 H new ATOM 0 HA LYS A 378 -5.983 -1.892 -14.200 1.00 15.00 H new ATOM 0 HB2 LYS A 378 -6.998 -0.172 -12.769 1.00 15.00 H new ATOM 0 HB3 LYS A 378 -7.516 -1.784 -12.317 1.00 15.00 H new ATOM 0 HG2 LYS A 378 -5.853 -1.753 -10.431 1.00 15.00 H new ATOM 0 HG3 LYS A 378 -5.435 -0.106 -10.861 1.00 15.00 H new ATOM 0 HD2 LYS A 378 -7.833 0.554 -10.570 1.00 15.00 H new ATOM 0 HD3 LYS A 378 -8.208 -1.086 -10.081 1.00 15.00 H new ATOM 0 HE2 LYS A 378 -6.894 -0.900 -8.077 1.00 15.00 H new ATOM 0 HE3 LYS A 378 -6.121 0.573 -8.628 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 -7.866 1.044 -7.031 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 -8.271 1.700 -8.544 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 -9.020 0.273 -8.010 1.00 15.00 H new ATOM 203 N GLY A 379 -3.199 -1.200 -13.039 1.00 15.00 N ATOM 204 CA GLY A 379 -2.015 -0.381 -13.191 1.00 15.00 C ATOM 205 C GLY A 379 -1.735 0.439 -11.957 1.00 15.00 C ATOM 206 O GLY A 379 -1.041 1.454 -12.016 1.00 15.00 O ATOM 0 H GLY A 379 -3.027 -2.135 -12.671 1.00 15.00 H new ATOM 0 HA2 GLY A 379 -1.158 -1.019 -13.405 1.00 15.00 H new ATOM 0 HA3 GLY A 379 -2.140 0.282 -14.047 1.00 15.00 H new ATOM 210 N ARG A 380 -2.271 -0.006 -10.831 1.00 15.00 N ATOM 211 CA ARG A 380 -2.125 0.719 -9.580 1.00 15.00 C ATOM 212 C ARG A 380 -1.873 -0.258 -8.426 1.00 15.00 C ATOM 213 O ARG A 380 -2.751 -1.037 -8.056 1.00 15.00 O ATOM 214 CB ARG A 380 -3.366 1.593 -9.315 1.00 15.00 C ATOM 215 CG ARG A 380 -3.272 2.997 -9.915 1.00 15.00 C ATOM 216 CD ARG A 380 -4.580 3.787 -9.776 1.00 15.00 C ATOM 217 NE ARG A 380 -5.638 3.280 -10.661 1.00 15.00 N ATOM 218 CZ ARG A 380 -5.578 3.275 -11.998 1.00 15.00 C ATOM 219 NH1 ARG A 380 -4.533 3.782 -12.637 1.00 15.00 N1+ ATOM 220 NH2 ARG A 380 -6.587 2.786 -12.702 1.00 15.00 N ATOM 0 H ARG A 380 -2.812 -0.868 -10.759 1.00 15.00 H new ATOM 0 HA ARG A 380 -1.262 1.381 -9.654 1.00 15.00 H new ATOM 0 HB2 ARG A 380 -4.245 1.092 -9.721 1.00 15.00 H new ATOM 0 HB3 ARG A 380 -3.516 1.677 -8.239 1.00 15.00 H new ATOM 0 HG2 ARG A 380 -2.467 3.545 -9.424 1.00 15.00 H new ATOM 0 HG3 ARG A 380 -3.009 2.920 -10.970 1.00 15.00 H new ATOM 0 HD2 ARG A 380 -4.922 3.740 -8.742 1.00 15.00 H new ATOM 0 HD3 ARG A 380 -4.393 4.837 -10.002 1.00 15.00 H new ATOM 0 HE ARG A 380 -6.480 2.904 -10.224 1.00 15.00 H new ATOM 0 HH11 ARG A 380 -3.758 4.184 -12.109 1.00 15.00 H new ATOM 0 HH12 ARG A 380 -4.504 3.770 -13.657 1.00 15.00 H new ATOM 0 HH21 ARG A 380 -7.408 2.414 -12.225 1.00 15.00 H new ATOM 0 HH22 ARG A 380 -6.543 2.781 -13.721 1.00 15.00 H new ATOM 234 N THR A 381 -0.655 -0.237 -7.891 1.00 15.00 N ATOM 235 CA THR A 381 -0.273 -1.115 -6.794 1.00 15.00 C ATOM 236 C THR A 381 -0.049 -0.279 -5.534 1.00 15.00 C ATOM 237 O THR A 381 0.583 0.776 -5.592 1.00 15.00 O ATOM 238 CB THR A 381 1.003 -1.920 -7.157 1.00 15.00 C ATOM 239 OG1 THR A 381 1.362 -2.824 -6.104 1.00 15.00 O ATOM 240 CG2 THR A 381 2.178 -0.997 -7.456 1.00 15.00 C ATOM 0 H THR A 381 0.089 0.386 -8.205 1.00 15.00 H new ATOM 0 HA THR A 381 -1.074 -1.831 -6.609 1.00 15.00 H new ATOM 0 HB THR A 381 0.771 -2.494 -8.054 1.00 15.00 H new ATOM 0 HG1 THR A 381 2.261 -2.607 -5.779 1.00 15.00 H new ATOM 0 HG21 THR A 381 3.055 -1.594 -7.706 1.00 15.00 H new ATOM 0 HG22 THR A 381 1.928 -0.350 -8.296 1.00 15.00 H new ATOM 0 HG23 THR A 381 2.393 -0.386 -6.579 1.00 15.00 H new ATOM 248 N TYR A 382 -0.576 -0.731 -4.401 1.00 15.00 N ATOM 249 CA TYR A 382 -0.563 0.092 -3.198 1.00 15.00 C ATOM 250 C TYR A 382 -0.202 -0.717 -1.959 1.00 15.00 C ATOM 251 O TYR A 382 -0.469 -1.919 -1.884 1.00 15.00 O ATOM 252 CB TYR A 382 -1.918 0.773 -3.012 1.00 15.00 C ATOM 253 CG TYR A 382 -2.972 -0.058 -2.320 1.00 15.00 C ATOM 254 CD1 TYR A 382 -3.506 -1.207 -2.899 1.00 15.00 C ATOM 255 CD2 TYR A 382 -3.442 0.326 -1.080 1.00 15.00 C ATOM 256 CE1 TYR A 382 -4.474 -1.947 -2.246 1.00 15.00 C ATOM 257 CE2 TYR A 382 -4.404 -0.401 -0.425 1.00 15.00 C ATOM 258 CZ TYR A 382 -4.921 -1.536 -1.006 1.00 15.00 C ATOM 259 OH TYR A 382 -5.880 -2.262 -0.342 1.00 15.00 O ATOM 0 H TYR A 382 -1.011 -1.647 -4.291 1.00 15.00 H new ATOM 0 HA TYR A 382 0.207 0.852 -3.327 1.00 15.00 H new ATOM 0 HB2 TYR A 382 -1.769 1.689 -2.441 1.00 15.00 H new ATOM 0 HB3 TYR A 382 -2.296 1.066 -3.992 1.00 15.00 H new ATOM 0 HD1 TYR A 382 -3.159 -1.524 -3.871 1.00 15.00 H new ATOM 0 HD2 TYR A 382 -3.044 1.217 -0.616 1.00 15.00 H new ATOM 0 HE1 TYR A 382 -4.877 -2.839 -2.702 1.00 15.00 H new ATOM 0 HE2 TYR A 382 -4.755 -0.083 0.546 1.00 15.00 H new ATOM 0 HH TYR A 382 -5.454 -2.812 0.348 1.00 15.00 H new ATOM 269 N TYR A 383 0.417 -0.039 -1.002 1.00 15.00 N ATOM 270 CA TYR A 383 0.803 -0.652 0.258 1.00 15.00 C ATOM 271 C TYR A 383 -0.097 -0.131 1.390 1.00 15.00 C ATOM 272 O TYR A 383 -0.355 1.073 1.475 1.00 15.00 O ATOM 273 CB TYR A 383 2.263 -0.318 0.569 1.00 15.00 C ATOM 274 CG TYR A 383 3.208 -0.437 -0.608 1.00 15.00 C ATOM 275 CD1 TYR A 383 3.473 -1.666 -1.193 1.00 15.00 C ATOM 276 CD2 TYR A 383 3.847 0.684 -1.124 1.00 15.00 C ATOM 277 CE1 TYR A 383 4.346 -1.777 -2.253 1.00 15.00 C ATOM 278 CE2 TYR A 383 4.723 0.580 -2.186 1.00 15.00 C ATOM 279 CZ TYR A 383 4.970 -0.654 -2.747 1.00 15.00 C ATOM 280 OH TYR A 383 5.841 -0.766 -3.810 1.00 15.00 O ATOM 0 H TYR A 383 0.664 0.948 -1.078 1.00 15.00 H new ATOM 0 HA TYR A 383 0.689 -1.733 0.178 1.00 15.00 H new ATOM 0 HB2 TYR A 383 2.313 0.700 0.955 1.00 15.00 H new ATOM 0 HB3 TYR A 383 2.610 -0.978 1.364 1.00 15.00 H new ATOM 0 HD1 TYR A 383 2.987 -2.551 -0.811 1.00 15.00 H new ATOM 0 HD2 TYR A 383 3.655 1.653 -0.687 1.00 15.00 H new ATOM 0 HE1 TYR A 383 4.540 -2.743 -2.695 1.00 15.00 H new ATOM 0 HE2 TYR A 383 5.212 1.461 -2.575 1.00 15.00 H new ATOM 0 HH TYR A 383 6.195 0.119 -4.037 1.00 15.00 H new ATOM 290 N VAL A 384 -0.555 -1.026 2.267 1.00 15.00 N ATOM 291 CA VAL A 384 -1.467 -0.647 3.352 1.00 15.00 C ATOM 292 C VAL A 384 -0.796 -0.770 4.710 1.00 15.00 C ATOM 293 O VAL A 384 -0.513 -1.876 5.164 1.00 15.00 O ATOM 294 CB VAL A 384 -2.718 -1.542 3.384 1.00 15.00 C ATOM 295 CG1 VAL A 384 -3.976 -0.712 3.428 1.00 15.00 C ATOM 296 CG2 VAL A 384 -2.737 -2.476 2.205 1.00 15.00 C ATOM 0 H VAL A 384 -0.311 -2.016 2.249 1.00 15.00 H new ATOM 0 HA VAL A 384 -1.748 0.388 3.156 1.00 15.00 H new ATOM 0 HB VAL A 384 -2.678 -2.142 4.293 1.00 15.00 H new ATOM 0 HG11 VAL A 384 -4.845 -1.369 3.450 1.00 15.00 H new ATOM 0 HG12 VAL A 384 -3.970 -0.089 4.322 1.00 15.00 H new ATOM 0 HG13 VAL A 384 -4.024 -0.077 2.544 1.00 15.00 H new ATOM 0 HG21 VAL A 384 -3.630 -3.099 2.249 1.00 15.00 H new ATOM 0 HG22 VAL A 384 -2.743 -1.897 1.282 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -1.851 -3.110 2.229 1.00 15.00 H new ATOM 306 N ASN A 385 -0.576 0.344 5.386 1.00 15.00 N ATOM 307 CA ASN A 385 0.102 0.305 6.672 1.00 15.00 C ATOM 308 C ASN A 385 -0.892 0.161 7.827 1.00 15.00 C ATOM 309 O ASN A 385 -1.777 0.994 7.966 1.00 15.00 O ATOM 310 CB ASN A 385 0.902 1.577 6.913 1.00 15.00 C ATOM 311 CG ASN A 385 1.656 1.493 8.220 1.00 15.00 C ATOM 312 OD1 ASN A 385 2.068 0.284 8.574 1.00 15.00 O flip ATOM 313 ND2 ASN A 385 1.867 2.488 8.903 1.00 15.00 N flip ATOM 0 H ASN A 385 -0.852 1.275 5.073 1.00 15.00 H new ATOM 0 HA ASN A 385 0.765 -0.559 6.640 1.00 15.00 H new ATOM 0 HB2 ASN A 385 1.602 1.733 6.093 1.00 15.00 H new ATOM 0 HB3 ASN A 385 0.232 2.437 6.928 1.00 15.00 H new ATOM 0 HD21 ASN A 385 1.532 3.400 8.593 1.00 15.00 H new ATOM 0 HD22 ASN A 385 2.378 2.404 9.782 1.00 15.00 H new ATOM 320 N HIS A 386 -0.715 -0.848 8.692 1.00 15.00 N ATOM 321 CA HIS A 386 -1.652 -1.071 9.802 1.00 15.00 C ATOM 322 C HIS A 386 -1.258 -0.215 10.976 1.00 15.00 C ATOM 323 O HIS A 386 -2.009 -0.016 11.927 1.00 15.00 O ATOM 324 CB HIS A 386 -1.693 -2.542 10.254 1.00 15.00 C ATOM 325 CG HIS A 386 -1.403 -3.489 9.150 1.00 15.00 C ATOM 326 ND1 HIS A 386 -1.592 -3.127 7.851 1.00 15.00 N ATOM 327 CD2 HIS A 386 -0.795 -4.695 9.123 1.00 15.00 C ATOM 328 CE1 HIS A 386 -1.099 -4.029 7.070 1.00 15.00 C ATOM 329 NE2 HIS A 386 -0.616 -5.008 7.803 1.00 15.00 N ATOM 0 H HIS A 386 0.056 -1.514 8.646 1.00 15.00 H new ATOM 0 HA HIS A 386 -2.645 -0.803 9.440 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -0.969 -2.692 11.055 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -2.677 -2.763 10.668 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -0.507 -5.294 9.975 1.00 15.00 H new ATOM 0 HE1 HIS A 386 -1.085 -3.986 5.991 1.00 15.00 H new ATOM 0 HE2 HIS A 386 -0.181 -5.859 7.447 1.00 15.00 H new ATOM 338 N ASN A 387 -0.050 0.275 10.879 1.00 15.00 N ATOM 339 CA ASN A 387 0.614 0.931 11.968 1.00 15.00 C ATOM 340 C ASN A 387 0.232 2.409 12.018 1.00 15.00 C ATOM 341 O ASN A 387 0.333 3.055 13.057 1.00 15.00 O ATOM 342 CB ASN A 387 2.108 0.718 11.760 1.00 15.00 C ATOM 343 CG ASN A 387 2.961 1.245 12.902 1.00 15.00 C ATOM 344 OD1 ASN A 387 3.215 0.535 13.872 1.00 15.00 O ATOM 345 ND2 ASN A 387 3.414 2.483 12.790 1.00 15.00 N ATOM 0 H ASN A 387 0.507 0.227 10.026 1.00 15.00 H new ATOM 0 HA ASN A 387 0.315 0.518 12.931 1.00 15.00 H new ATOM 0 HB2 ASN A 387 2.301 -0.347 11.635 1.00 15.00 H new ATOM 0 HB3 ASN A 387 2.411 1.208 10.835 1.00 15.00 H new ATOM 0 HD21 ASN A 387 3.998 2.881 13.526 1.00 15.00 H new ATOM 0 HD22 ASN A 387 3.180 3.039 11.968 1.00 15.00 H new ATOM 352 N ASN A 388 -0.185 2.941 10.874 1.00 15.00 N ATOM 353 CA ASN A 388 -0.680 4.311 10.793 1.00 15.00 C ATOM 354 C ASN A 388 -2.122 4.325 10.292 1.00 15.00 C ATOM 355 O ASN A 388 -2.815 5.337 10.390 1.00 15.00 O ATOM 356 CB ASN A 388 0.204 5.156 9.869 1.00 15.00 C ATOM 357 CG ASN A 388 -0.151 6.634 9.910 1.00 15.00 C ATOM 358 OD1 ASN A 388 -0.544 7.165 10.950 1.00 15.00 O ATOM 359 ND2 ASN A 388 -0.028 7.306 8.775 1.00 15.00 N ATOM 0 H ASN A 388 -0.190 2.441 9.985 1.00 15.00 H new ATOM 0 HA ASN A 388 -0.647 4.743 11.793 1.00 15.00 H new ATOM 0 HB2 ASN A 388 1.248 5.029 10.155 1.00 15.00 H new ATOM 0 HB3 ASN A 388 0.107 4.791 8.846 1.00 15.00 H new ATOM 0 HD21 ASN A 388 -0.262 8.298 8.742 1.00 15.00 H new ATOM 0 HD22 ASN A 388 0.301 6.831 7.934 1.00 15.00 H new ATOM 366 N ARG A 389 -2.556 3.188 9.737 1.00 15.00 N ATOM 367 CA ARG A 389 -3.874 3.066 9.110 1.00 15.00 C ATOM 368 C ARG A 389 -3.913 3.868 7.813 1.00 15.00 C ATOM 369 O ARG A 389 -4.519 4.937 7.744 1.00 15.00 O ATOM 370 CB ARG A 389 -5.008 3.489 10.055 1.00 15.00 C ATOM 371 CG ARG A 389 -5.039 2.699 11.355 1.00 15.00 C ATOM 372 CD ARG A 389 -6.232 3.076 12.216 1.00 15.00 C ATOM 373 NE ARG A 389 -6.249 4.494 12.558 1.00 15.00 N ATOM 374 CZ ARG A 389 -7.189 5.065 13.307 1.00 15.00 C ATOM 375 NH1 ARG A 389 -8.209 4.344 13.760 1.00 15.00 N1+ ATOM 376 NH2 ARG A 389 -7.116 6.357 13.585 1.00 15.00 N ATOM 0 H ARG A 389 -2.005 2.330 9.710 1.00 15.00 H new ATOM 0 HA ARG A 389 -4.036 2.013 8.880 1.00 15.00 H new ATOM 0 HB2 ARG A 389 -4.902 4.549 10.285 1.00 15.00 H new ATOM 0 HB3 ARG A 389 -5.962 3.368 9.542 1.00 15.00 H new ATOM 0 HG2 ARG A 389 -5.075 1.633 11.132 1.00 15.00 H new ATOM 0 HG3 ARG A 389 -4.119 2.878 11.911 1.00 15.00 H new ATOM 0 HD2 ARG A 389 -7.151 2.822 11.688 1.00 15.00 H new ATOM 0 HD3 ARG A 389 -6.216 2.485 13.132 1.00 15.00 H new ATOM 0 HE ARG A 389 -5.496 5.083 12.202 1.00 15.00 H new ATOM 0 HH11 ARG A 389 -8.272 3.351 13.534 1.00 15.00 H new ATOM 0 HH12 ARG A 389 -8.929 4.783 14.334 1.00 15.00 H new ATOM 0 HH21 ARG A 389 -6.340 6.913 13.225 1.00 15.00 H new ATOM 0 HH22 ARG A 389 -7.836 6.797 14.159 1.00 15.00 H new ATOM 390 N THR A 390 -3.195 3.383 6.805 1.00 15.00 N ATOM 391 CA THR A 390 -2.993 4.153 5.588 1.00 15.00 C ATOM 392 C THR A 390 -3.055 3.282 4.316 1.00 15.00 C ATOM 393 O THR A 390 -2.681 2.108 4.350 1.00 15.00 O ATOM 394 CB THR A 390 -1.622 4.873 5.677 1.00 15.00 C ATOM 395 OG1 THR A 390 -1.695 5.939 6.627 1.00 15.00 O ATOM 396 CG2 THR A 390 -1.129 5.403 4.331 1.00 15.00 C ATOM 0 H THR A 390 -2.747 2.467 6.808 1.00 15.00 H new ATOM 0 HA THR A 390 -3.804 4.877 5.508 1.00 15.00 H new ATOM 0 HB THR A 390 -0.896 4.128 6.002 1.00 15.00 H new ATOM 0 HG1 THR A 390 -1.074 6.652 6.367 1.00 15.00 H new ATOM 0 HG21 THR A 390 -0.166 5.895 4.464 1.00 15.00 H new ATOM 0 HG22 THR A 390 -1.019 4.574 3.632 1.00 15.00 H new ATOM 0 HG23 THR A 390 -1.850 6.118 3.935 1.00 15.00 H new ATOM 404 N THR A 391 -3.527 3.873 3.204 1.00 15.00 N ATOM 405 CA THR A 391 -3.565 3.217 1.906 1.00 15.00 C ATOM 406 C THR A 391 -3.007 4.186 0.842 1.00 15.00 C ATOM 407 O THR A 391 -3.597 5.241 0.597 1.00 15.00 O ATOM 408 CB THR A 391 -5.012 2.802 1.547 1.00 15.00 C ATOM 409 OG1 THR A 391 -5.108 2.511 0.157 1.00 15.00 O ATOM 410 CG2 THR A 391 -6.011 3.888 1.916 1.00 15.00 C ATOM 0 H THR A 391 -3.893 4.825 3.192 1.00 15.00 H new ATOM 0 HA THR A 391 -2.955 2.314 1.938 1.00 15.00 H new ATOM 0 HB THR A 391 -5.254 1.909 2.123 1.00 15.00 H new ATOM 0 HG1 THR A 391 -4.794 1.597 -0.008 1.00 15.00 H new ATOM 0 HG21 THR A 391 -7.017 3.563 1.650 1.00 15.00 H new ATOM 0 HG22 THR A 391 -5.963 4.078 2.988 1.00 15.00 H new ATOM 0 HG23 THR A 391 -5.770 4.803 1.375 1.00 15.00 H new ATOM 418 N THR A 392 -1.861 3.871 0.235 1.00 15.00 N ATOM 419 CA THR A 392 -1.175 4.858 -0.586 1.00 15.00 C ATOM 420 C THR A 392 -0.367 4.223 -1.726 1.00 15.00 C ATOM 421 O THR A 392 0.078 3.076 -1.617 1.00 15.00 O ATOM 422 CB THR A 392 -0.260 5.724 0.300 1.00 15.00 C ATOM 423 OG1 THR A 392 0.155 6.901 -0.404 1.00 15.00 O ATOM 424 CG2 THR A 392 0.965 4.947 0.766 1.00 15.00 C ATOM 0 H THR A 392 -1.401 2.963 0.296 1.00 15.00 H new ATOM 0 HA THR A 392 -1.938 5.481 -1.052 1.00 15.00 H new ATOM 0 HB THR A 392 -0.837 6.014 1.178 1.00 15.00 H new ATOM 0 HG1 THR A 392 0.734 7.441 0.174 1.00 15.00 H new ATOM 0 HG21 THR A 392 1.588 5.589 1.389 1.00 15.00 H new ATOM 0 HG22 THR A 392 0.647 4.079 1.344 1.00 15.00 H new ATOM 0 HG23 THR A 392 1.537 4.616 -0.101 1.00 15.00 H new ATOM 432 N TRP A 393 -0.226 4.962 -2.839 1.00 15.00 N ATOM 433 CA TRP A 393 0.654 4.545 -3.934 1.00 15.00 C ATOM 434 C TRP A 393 2.109 4.809 -3.563 1.00 15.00 C ATOM 435 O TRP A 393 3.032 4.236 -4.150 1.00 15.00 O ATOM 436 CB TRP A 393 0.379 5.321 -5.234 1.00 15.00 C ATOM 437 CG TRP A 393 -1.038 5.324 -5.717 1.00 15.00 C ATOM 438 CD1 TRP A 393 -1.739 6.410 -6.159 1.00 15.00 C ATOM 439 CD2 TRP A 393 -1.923 4.207 -5.826 1.00 15.00 C ATOM 440 NE1 TRP A 393 -3.002 6.033 -6.536 1.00 15.00 N ATOM 441 CE2 TRP A 393 -3.138 4.686 -6.339 1.00 15.00 C ATOM 442 CE3 TRP A 393 -1.808 2.850 -5.539 1.00 15.00 C ATOM 443 CZ2 TRP A 393 -4.225 3.855 -6.571 1.00 15.00 C ATOM 444 CZ3 TRP A 393 -2.892 2.026 -5.770 1.00 15.00 C ATOM 445 CH2 TRP A 393 -4.086 2.531 -6.280 1.00 15.00 C ATOM 0 H TRP A 393 -0.709 5.846 -3.000 1.00 15.00 H new ATOM 0 HA TRP A 393 0.461 3.484 -4.095 1.00 15.00 H new ATOM 0 HB2 TRP A 393 0.693 6.355 -5.089 1.00 15.00 H new ATOM 0 HB3 TRP A 393 1.008 4.904 -6.021 1.00 15.00 H new ATOM 0 HD1 TRP A 393 -1.354 7.418 -6.205 1.00 15.00 H new ATOM 0 HE1 TRP A 393 -3.722 6.655 -6.903 1.00 15.00 H new ATOM 0 HE3 TRP A 393 -0.887 2.448 -5.143 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 -5.150 4.245 -6.969 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 -2.813 0.971 -5.551 1.00 15.00 H new ATOM 0 HH2 TRP A 393 -4.916 1.861 -6.448 1.00 15.00 H new ATOM 456 N THR A 394 2.298 5.718 -2.616 1.00 15.00 N ATOM 457 CA THR A 394 3.622 6.187 -2.241 1.00 15.00 C ATOM 458 C THR A 394 4.398 5.092 -1.514 1.00 15.00 C ATOM 459 O THR A 394 3.809 4.247 -0.838 1.00 15.00 O ATOM 460 CB THR A 394 3.506 7.431 -1.333 1.00 15.00 C ATOM 461 OG1 THR A 394 2.581 8.365 -1.906 1.00 15.00 O ATOM 462 CG2 THR A 394 4.854 8.114 -1.146 1.00 15.00 C ATOM 0 H THR A 394 1.539 6.149 -2.088 1.00 15.00 H new ATOM 0 HA THR A 394 4.161 6.452 -3.151 1.00 15.00 H new ATOM 0 HB THR A 394 3.150 7.099 -0.358 1.00 15.00 H new ATOM 0 HG1 THR A 394 1.675 8.163 -1.591 1.00 15.00 H new ATOM 0 HG21 THR A 394 4.734 8.985 -0.502 1.00 15.00 H new ATOM 0 HG22 THR A 394 5.555 7.417 -0.687 1.00 15.00 H new ATOM 0 HG23 THR A 394 5.239 8.430 -2.115 1.00 15.00 H new ATOM 470 N ARG A 395 5.716 5.107 -1.660 1.00 15.00 N ATOM 471 CA ARG A 395 6.552 4.136 -0.981 1.00 15.00 C ATOM 472 C ARG A 395 6.569 4.399 0.515 1.00 15.00 C ATOM 473 O ARG A 395 6.460 5.543 0.965 1.00 15.00 O ATOM 474 CB ARG A 395 7.978 4.158 -1.524 1.00 15.00 C ATOM 475 CG ARG A 395 8.183 3.265 -2.736 1.00 15.00 C ATOM 476 CD ARG A 395 9.648 2.897 -2.897 1.00 15.00 C ATOM 477 NE ARG A 395 10.479 4.060 -3.201 1.00 15.00 N ATOM 478 CZ ARG A 395 11.469 4.493 -2.418 1.00 15.00 C ATOM 479 NH1 ARG A 395 11.733 3.871 -1.273 1.00 15.00 N1+ ATOM 480 NH2 ARG A 395 12.191 5.544 -2.779 1.00 15.00 N ATOM 0 H ARG A 395 6.223 5.777 -2.239 1.00 15.00 H new ATOM 0 HA ARG A 395 6.127 3.149 -1.166 1.00 15.00 H new ATOM 0 HB2 ARG A 395 8.241 5.182 -1.789 1.00 15.00 H new ATOM 0 HB3 ARG A 395 8.663 3.848 -0.735 1.00 15.00 H new ATOM 0 HG2 ARG A 395 7.586 2.359 -2.630 1.00 15.00 H new ATOM 0 HG3 ARG A 395 7.832 3.776 -3.633 1.00 15.00 H new ATOM 0 HD2 ARG A 395 10.005 2.427 -1.981 1.00 15.00 H new ATOM 0 HD3 ARG A 395 9.750 2.161 -3.694 1.00 15.00 H new ATOM 0 HE ARG A 395 10.291 4.571 -4.063 1.00 15.00 H new ATOM 0 HH11 ARG A 395 11.179 3.062 -0.992 1.00 15.00 H new ATOM 0 HH12 ARG A 395 12.490 4.203 -0.675 1.00 15.00 H new ATOM 0 HH21 ARG A 395 11.990 6.023 -3.657 1.00 15.00 H new ATOM 0 HH22 ARG A 395 12.947 5.874 -2.179 1.00 15.00 H new ATOM 494 N PRO A 396 6.732 3.334 1.302 1.00 15.00 N ATOM 495 CA PRO A 396 6.688 3.405 2.761 1.00 15.00 C ATOM 496 C PRO A 396 7.888 4.134 3.351 1.00 15.00 C ATOM 497 O PRO A 396 9.041 3.774 3.110 1.00 15.00 O ATOM 498 CB PRO A 396 6.702 1.928 3.188 1.00 15.00 C ATOM 499 CG PRO A 396 6.331 1.176 1.961 1.00 15.00 C ATOM 500 CD PRO A 396 6.926 1.957 0.837 1.00 15.00 C ATOM 0 HA PRO A 396 5.819 3.962 3.111 1.00 15.00 H new ATOM 0 HB2 PRO A 396 7.685 1.631 3.552 1.00 15.00 H new ATOM 0 HB3 PRO A 396 5.993 1.743 3.995 1.00 15.00 H new ATOM 0 HG2 PRO A 396 6.723 0.159 1.987 1.00 15.00 H new ATOM 0 HG3 PRO A 396 5.249 1.097 1.858 1.00 15.00 H new ATOM 0 HD2 PRO A 396 7.979 1.720 0.685 1.00 15.00 H new ATOM 0 HD3 PRO A 396 6.417 1.768 -0.108 1.00 15.00 H new ATOM 616 N PRO B 180 -7.660 6.417 -7.349 1.00 15.00 N ATOM 617 CA PRO B 180 -6.989 6.027 -6.119 1.00 15.00 C ATOM 618 C PRO B 180 -7.174 4.697 -5.463 1.00 15.00 C ATOM 619 O PRO B 180 -8.034 3.871 -5.779 1.00 15.00 O ATOM 620 CB PRO B 180 -7.507 7.099 -5.182 1.00 15.00 C ATOM 621 CG PRO B 180 -7.064 8.168 -6.008 1.00 15.00 C ATOM 622 CD PRO B 180 -7.860 7.879 -7.272 1.00 15.00 C ATOM 0 HA PRO B 180 -5.931 5.929 -6.361 1.00 15.00 H new ATOM 0 HB2 PRO B 180 -8.586 7.073 -5.032 1.00 15.00 H new ATOM 0 HB3 PRO B 180 -7.048 7.083 -4.194 1.00 15.00 H new ATOM 0 HG2 PRO B 180 -7.297 9.145 -5.584 1.00 15.00 H new ATOM 0 HG3 PRO B 180 -5.988 8.143 -6.179 1.00 15.00 H new ATOM 0 HD2 PRO B 180 -8.910 8.155 -7.179 1.00 15.00 H new ATOM 0 HD3 PRO B 180 -7.469 8.403 -8.144 1.00 15.00 H new ATOM 630 N PRO B 181 -6.280 4.565 -4.467 1.00 15.00 N ATOM 631 CA PRO B 181 -6.079 3.378 -3.643 1.00 15.00 C ATOM 632 C PRO B 181 -7.358 2.838 -3.018 1.00 15.00 C ATOM 633 O PRO B 181 -8.224 3.594 -2.572 1.00 15.00 O ATOM 634 CB PRO B 181 -5.129 3.883 -2.542 1.00 15.00 C ATOM 635 CG PRO B 181 -5.152 5.377 -2.639 1.00 15.00 C ATOM 636 CD PRO B 181 -5.381 5.678 -4.047 1.00 15.00 C ATOM 0 HA PRO B 181 -5.698 2.546 -4.236 1.00 15.00 H new ATOM 0 HB2 PRO B 181 -5.458 3.550 -1.558 1.00 15.00 H new ATOM 0 HB3 PRO B 181 -4.120 3.497 -2.688 1.00 15.00 H new ATOM 0 HG2 PRO B 181 -5.941 5.798 -2.015 1.00 15.00 H new ATOM 0 HG3 PRO B 181 -4.211 5.806 -2.295 1.00 15.00 H new ATOM 0 HD2 PRO B 181 -5.849 6.653 -4.184 1.00 15.00 H new ATOM 0 HD3 PRO B 181 -4.452 5.688 -4.617 1.00 15.00 H new ATOM 644 N PRO B 182 -7.458 1.509 -2.960 1.00 15.00 N ATOM 645 CA PRO B 182 -8.524 0.811 -2.242 1.00 15.00 C ATOM 646 C PRO B 182 -8.347 0.994 -0.738 1.00 15.00 C ATOM 647 O PRO B 182 -7.225 1.164 -0.276 1.00 15.00 O ATOM 648 CB PRO B 182 -8.331 -0.665 -2.629 1.00 15.00 C ATOM 649 CG PRO B 182 -7.349 -0.672 -3.758 1.00 15.00 C ATOM 650 CD PRO B 182 -6.535 0.575 -3.618 1.00 15.00 C ATOM 0 HA PRO B 182 -9.518 1.182 -2.491 1.00 15.00 H new ATOM 0 HB2 PRO B 182 -7.958 -1.244 -1.784 1.00 15.00 H new ATOM 0 HB3 PRO B 182 -9.276 -1.116 -2.932 1.00 15.00 H new ATOM 0 HG2 PRO B 182 -6.714 -1.557 -3.715 1.00 15.00 H new ATOM 0 HG3 PRO B 182 -7.863 -0.695 -4.719 1.00 15.00 H new ATOM 0 HD2 PRO B 182 -5.640 0.406 -3.020 1.00 15.00 H new ATOM 0 HD3 PRO B 182 -6.205 0.951 -4.586 1.00 15.00 H new ATOM 658 N GLY B 183 -9.455 0.982 0.003 1.00 15.00 N ATOM 659 CA GLY B 183 -9.430 1.275 1.436 1.00 15.00 C ATOM 660 C GLY B 183 -8.368 0.508 2.221 1.00 15.00 C ATOM 661 O GLY B 183 -7.772 -0.447 1.727 1.00 15.00 O ATOM 0 H GLY B 183 -10.382 0.772 -0.366 1.00 15.00 H new ATOM 0 HA2 GLY B 183 -9.264 2.344 1.573 1.00 15.00 H new ATOM 0 HA3 GLY B 183 -10.409 1.049 1.857 1.00 15.00 H new ATOM 665 N TYR B 184 -8.190 0.885 3.479 1.00 15.00 N ATOM 666 CA TYR B 184 -7.088 0.374 4.283 1.00 15.00 C ATOM 667 C TYR B 184 -7.456 -0.916 5.037 1.00 15.00 C ATOM 668 O TYR B 184 -8.539 -1.032 5.608 1.00 15.00 O ATOM 669 CB TYR B 184 -6.591 1.465 5.257 1.00 15.00 C ATOM 670 CG TYR B 184 -6.043 0.910 6.549 1.00 15.00 C ATOM 671 CD1 TYR B 184 -4.779 0.354 6.623 1.00 15.00 C ATOM 672 CD2 TYR B 184 -6.827 0.921 7.698 1.00 15.00 C ATOM 673 CE1 TYR B 184 -4.309 -0.173 7.806 1.00 15.00 C ATOM 674 CE2 TYR B 184 -6.360 0.401 8.882 1.00 15.00 C ATOM 675 CZ TYR B 184 -5.103 -0.147 8.931 1.00 15.00 C ATOM 676 OH TYR B 184 -4.630 -0.662 10.111 1.00 15.00 O ATOM 0 H TYR B 184 -8.796 1.545 3.967 1.00 15.00 H new ATOM 0 HA TYR B 184 -6.279 0.111 3.601 1.00 15.00 H new ATOM 0 HB2 TYR B 184 -5.817 2.055 4.766 1.00 15.00 H new ATOM 0 HB3 TYR B 184 -7.414 2.143 5.482 1.00 15.00 H new ATOM 0 HD1 TYR B 184 -4.153 0.333 5.743 1.00 15.00 H new ATOM 0 HD2 TYR B 184 -7.819 1.345 7.659 1.00 15.00 H new ATOM 0 HE1 TYR B 184 -3.320 -0.605 7.851 1.00 15.00 H new ATOM 0 HE2 TYR B 184 -6.978 0.424 9.767 1.00 15.00 H new ATOM 0 HH TYR B 184 -5.313 -0.565 10.807 1.00 15.00 H new ATOM 686 N LEU B 185 -6.495 -1.862 5.050 1.00 15.00 N ATOM 687 CA LEU B 185 -6.671 -3.200 5.599 1.00 15.00 C ATOM 688 C LEU B 185 -7.941 -3.877 5.170 1.00 15.00 C ATOM 689 O LEU B 185 -8.901 -4.029 5.926 1.00 15.00 O ATOM 690 CB LEU B 185 -6.457 -3.283 7.100 1.00 15.00 C ATOM 691 CG LEU B 185 -5.028 -3.590 7.497 1.00 15.00 C ATOM 692 CD1 LEU B 185 -4.894 -3.630 9.009 1.00 15.00 C ATOM 693 CD2 LEU B 185 -4.582 -4.911 6.888 1.00 15.00 C ATOM 0 H LEU B 185 -5.562 -1.703 4.670 1.00 15.00 H new ATOM 0 HA LEU B 185 -5.861 -3.773 5.147 1.00 15.00 H new ATOM 0 HB2 LEU B 185 -6.755 -2.337 7.553 1.00 15.00 H new ATOM 0 HB3 LEU B 185 -7.111 -4.053 7.509 1.00 15.00 H new ATOM 0 HG LEU B 185 -4.384 -2.798 7.115 1.00 15.00 H new ATOM 0 HD11 LEU B 185 -3.861 -3.852 9.277 1.00 15.00 H new ATOM 0 HD12 LEU B 185 -5.177 -2.663 9.425 1.00 15.00 H new ATOM 0 HD13 LEU B 185 -5.547 -4.404 9.412 1.00 15.00 H new ATOM 0 HD21 LEU B 185 -3.553 -5.118 7.182 1.00 15.00 H new ATOM 0 HD22 LEU B 185 -5.229 -5.713 7.244 1.00 15.00 H new ATOM 0 HD23 LEU B 185 -4.643 -4.850 5.801 1.00 15.00 H new ATOM 705 N SER B 186 -7.924 -4.206 3.911 1.00 15.00 N ATOM 706 CA SER B 186 -8.804 -5.169 3.337 1.00 15.00 C ATOM 707 C SER B 186 -8.013 -5.793 2.209 1.00 15.00 C ATOM 708 O SER B 186 -7.882 -5.211 1.140 1.00 15.00 O ATOM 709 CB SER B 186 -10.070 -4.472 2.841 1.00 15.00 C ATOM 710 OG SER B 186 -10.952 -5.362 2.167 1.00 15.00 O ATOM 0 H SER B 186 -7.275 -3.796 3.239 1.00 15.00 H new ATOM 0 HA SER B 186 -9.134 -5.930 4.044 1.00 15.00 H new ATOM 0 HB2 SER B 186 -10.589 -4.023 3.688 1.00 15.00 H new ATOM 0 HB3 SER B 186 -9.794 -3.660 2.168 1.00 15.00 H new ATOM 0 HG SER B 186 -11.747 -4.872 1.870 1.00 15.00 H new ATOM 716 N GLU B 187 -7.451 -6.959 2.473 1.00 15.00 N ATOM 717 CA GLU B 187 -6.433 -7.507 1.594 1.00 15.00 C ATOM 718 C GLU B 187 -6.749 -8.948 1.230 1.00 15.00 C ATOM 719 O GLU B 187 -6.625 -9.855 2.057 1.00 15.00 O ATOM 720 CB GLU B 187 -5.039 -7.396 2.249 1.00 15.00 C ATOM 721 CG GLU B 187 -4.597 -5.966 2.511 1.00 15.00 C ATOM 722 CD GLU B 187 -4.225 -5.231 1.246 1.00 15.00 C ATOM 723 OE1 GLU B 187 -3.112 -5.452 0.742 1.00 15.00 O1- ATOM 724 OE2 GLU B 187 -5.045 -4.430 0.754 1.00 15.00 O ATOM 0 H GLU B 187 -7.679 -7.540 3.280 1.00 15.00 H new ATOM 0 HA GLU B 187 -6.426 -6.925 0.673 1.00 15.00 H new ATOM 0 HB2 GLU B 187 -5.046 -7.943 3.192 1.00 15.00 H new ATOM 0 HB3 GLU B 187 -4.305 -7.881 1.605 1.00 15.00 H new ATOM 0 HG2 GLU B 187 -5.400 -5.429 3.016 1.00 15.00 H new ATOM 0 HG3 GLU B 187 -3.742 -5.972 3.188 1.00 15.00 H new