USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 356 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 Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc=-7.75e-05 X(o=-7.8e-05,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN :FLIP amide:sc= -2.51 F(o=-4.9!,f=-2.5) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 155:sc= 0.0235 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -5.03! C(o=-5!,f=-11!) USER MOD Single : A 27 GLN : amide:sc= -1.24 K(o=-1.2,f=-3.8!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 33 GLN :FLIP amide:sc= -1.83! C(o=-8.5!,f=-1.8!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 24.218 -9.188 2.336 1.00 0.00 N ATOM 2 CA ARG A 1 23.661 -9.555 1.046 1.00 0.00 C ATOM 3 C ARG A 1 23.148 -8.313 0.315 1.00 0.00 C ATOM 4 O ARG A 1 22.023 -7.872 0.545 1.00 0.00 O ATOM 5 CB ARG A 1 22.513 -10.555 1.205 1.00 0.00 C ATOM 6 CG ARG A 1 23.045 -11.979 1.372 1.00 0.00 C ATOM 7 CD ARG A 1 22.788 -12.498 2.789 1.00 0.00 C ATOM 8 NE ARG A 1 21.377 -12.921 2.925 1.00 0.00 N ATOM 9 CZ ARG A 1 20.905 -13.666 3.946 1.00 0.00 C ATOM 10 NH1 ARG A 1 21.730 -14.077 4.932 1.00 0.00 N ATOM 11 NH2 ARG A 1 19.625 -13.987 3.967 1.00 0.00 N ATOM 0 H1 ARG A 1 24.562 -10.041 2.821 1.00 0.00 H new ATOM 0 H2 ARG A 1 25.008 -8.526 2.197 1.00 0.00 H new ATOM 0 H3 ARG A 1 23.483 -8.734 2.915 1.00 0.00 H new ATOM 0 HA ARG A 1 24.456 -10.021 0.464 1.00 0.00 H new ATOM 0 HB2 ARG A 1 21.908 -10.285 2.071 1.00 0.00 H new ATOM 0 HB3 ARG A 1 21.861 -10.507 0.333 1.00 0.00 H new ATOM 0 HG2 ARG A 1 22.566 -12.637 0.647 1.00 0.00 H new ATOM 0 HG3 ARG A 1 24.114 -11.998 1.162 1.00 0.00 H new ATOM 0 HD2 ARG A 1 23.450 -13.337 3.003 1.00 0.00 H new ATOM 0 HD3 ARG A 1 23.014 -11.719 3.517 1.00 0.00 H new ATOM 0 HE ARG A 1 20.719 -12.631 2.201 1.00 0.00 H new ATOM 0 HH11 ARG A 1 22.718 -13.825 4.909 1.00 0.00 H new ATOM 0 HH12 ARG A 1 21.365 -14.640 5.700 1.00 0.00 H new ATOM 0 HH21 ARG A 1 19.008 -13.672 3.218 1.00 0.00 H new ATOM 0 HH22 ARG A 1 19.253 -14.550 4.732 1.00 0.00 H new ATOM 24 N GLN A 2 24.000 -7.782 -0.551 1.00 0.00 N ATOM 25 CA GLN A 2 23.646 -6.598 -1.317 1.00 0.00 C ATOM 26 C GLN A 2 24.252 -6.674 -2.721 1.00 0.00 C ATOM 27 O GLN A 2 24.897 -5.730 -3.174 1.00 0.00 O ATOM 28 CB GLN A 2 24.093 -5.325 -0.596 1.00 0.00 C ATOM 29 CG GLN A 2 23.547 -5.286 0.833 1.00 0.00 C ATOM 30 CD GLN A 2 23.566 -3.861 1.389 1.00 0.00 C ATOM 31 OE1 GLN A 2 24.603 -3.309 1.721 1.00 0.00 O ATOM 32 NE2 GLN A 2 22.365 -3.295 1.469 1.00 0.00 N ATOM 0 H GLN A 2 24.933 -8.149 -0.739 1.00 0.00 H new ATOM 0 HA GLN A 2 22.561 -6.561 -1.412 1.00 0.00 H new ATOM 0 HB2 GLN A 2 25.182 -5.278 -0.575 1.00 0.00 H new ATOM 0 HB3 GLN A 2 23.746 -4.450 -1.146 1.00 0.00 H new ATOM 0 HG2 GLN A 2 22.528 -5.672 0.847 1.00 0.00 H new ATOM 0 HG3 GLN A 2 24.143 -5.937 1.472 1.00 0.00 H new ATOM 0 HE21 GLN A 2 21.537 -3.812 1.174 1.00 0.00 H new ATOM 0 HE22 GLN A 2 22.272 -2.344 1.825 1.00 0.00 H new ATOM 41 N ILE A 3 24.024 -7.807 -3.369 1.00 0.00 N ATOM 42 CA ILE A 3 24.540 -8.018 -4.711 1.00 0.00 C ATOM 43 C ILE A 3 23.479 -7.601 -5.731 1.00 0.00 C ATOM 44 O ILE A 3 23.697 -7.706 -6.938 1.00 0.00 O ATOM 45 CB ILE A 3 25.021 -9.461 -4.879 1.00 0.00 C ATOM 46 CG1 ILE A 3 25.210 -10.137 -3.520 1.00 0.00 C ATOM 47 CG2 ILE A 3 26.292 -9.519 -5.730 1.00 0.00 C ATOM 48 CD1 ILE A 3 23.919 -10.821 -3.065 1.00 0.00 C ATOM 0 H ILE A 3 23.489 -8.588 -2.990 1.00 0.00 H new ATOM 0 HA ILE A 3 25.415 -7.392 -4.886 1.00 0.00 H new ATOM 0 HB ILE A 3 24.251 -10.019 -5.412 1.00 0.00 H new ATOM 0 HG12 ILE A 3 26.012 -10.872 -3.584 1.00 0.00 H new ATOM 0 HG13 ILE A 3 25.514 -9.396 -2.780 1.00 0.00 H new ATOM 0 HG21 ILE A 3 26.613 -10.555 -5.834 1.00 0.00 H new ATOM 0 HG22 ILE A 3 26.089 -9.101 -6.716 1.00 0.00 H new ATOM 0 HG23 ILE A 3 27.080 -8.942 -5.247 1.00 0.00 H new ATOM 0 HD11 ILE A 3 24.080 -11.294 -2.096 1.00 0.00 H new ATOM 0 HD12 ILE A 3 23.125 -10.079 -2.979 1.00 0.00 H new ATOM 0 HD13 ILE A 3 23.631 -11.578 -3.795 1.00 0.00 H new ATOM 60 N LYS A 4 22.353 -7.137 -5.210 1.00 0.00 N ATOM 61 CA LYS A 4 21.258 -6.704 -6.061 1.00 0.00 C ATOM 62 C LYS A 4 20.643 -7.921 -6.754 1.00 0.00 C ATOM 63 O LYS A 4 19.876 -7.778 -7.705 1.00 0.00 O ATOM 64 CB LYS A 4 21.728 -5.618 -7.031 1.00 0.00 C ATOM 65 CG LYS A 4 21.515 -4.223 -6.438 1.00 0.00 C ATOM 66 CD LYS A 4 22.489 -3.961 -5.287 1.00 0.00 C ATOM 67 CE LYS A 4 23.185 -2.609 -5.454 1.00 0.00 C ATOM 68 NZ LYS A 4 24.163 -2.392 -4.365 1.00 0.00 N ATOM 0 H LYS A 4 22.175 -7.051 -4.209 1.00 0.00 H new ATOM 0 HA LYS A 4 20.471 -6.245 -5.462 1.00 0.00 H new ATOM 0 HB2 LYS A 4 22.784 -5.762 -7.260 1.00 0.00 H new ATOM 0 HB3 LYS A 4 21.183 -5.704 -7.971 1.00 0.00 H new ATOM 0 HG2 LYS A 4 21.652 -3.470 -7.214 1.00 0.00 H new ATOM 0 HG3 LYS A 4 20.490 -4.129 -6.080 1.00 0.00 H new ATOM 0 HD2 LYS A 4 21.951 -3.983 -4.339 1.00 0.00 H new ATOM 0 HD3 LYS A 4 23.234 -4.755 -5.249 1.00 0.00 H new ATOM 0 HE2 LYS A 4 23.691 -2.571 -6.419 1.00 0.00 H new ATOM 0 HE3 LYS A 4 22.445 -1.809 -5.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 24.627 -1.470 -4.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 23.671 -2.408 -3.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 24.879 -3.146 -4.387 1.00 0.00 H new ATOM 81 N ILE A 5 21.003 -9.093 -6.250 1.00 0.00 N ATOM 82 CA ILE A 5 20.496 -10.335 -6.809 1.00 0.00 C ATOM 83 C ILE A 5 20.066 -10.099 -8.258 1.00 0.00 C ATOM 84 O ILE A 5 18.986 -10.524 -8.665 1.00 0.00 O ATOM 85 CB ILE A 5 19.388 -10.908 -5.924 1.00 0.00 C ATOM 86 CG1 ILE A 5 19.966 -11.503 -4.637 1.00 0.00 C ATOM 87 CG2 ILE A 5 18.540 -11.922 -6.693 1.00 0.00 C ATOM 88 CD1 ILE A 5 18.856 -11.813 -3.630 1.00 0.00 C ATOM 0 H ILE A 5 21.639 -9.208 -5.461 1.00 0.00 H new ATOM 0 HA ILE A 5 21.280 -11.092 -6.828 1.00 0.00 H new ATOM 0 HB ILE A 5 18.727 -10.091 -5.633 1.00 0.00 H new ATOM 0 HG12 ILE A 5 20.517 -12.415 -4.869 1.00 0.00 H new ATOM 0 HG13 ILE A 5 20.677 -10.804 -4.196 1.00 0.00 H new ATOM 0 HG21 ILE A 5 17.760 -12.314 -6.040 1.00 0.00 H new ATOM 0 HG22 ILE A 5 18.082 -11.435 -7.554 1.00 0.00 H new ATOM 0 HG23 ILE A 5 19.173 -12.741 -7.034 1.00 0.00 H new ATOM 0 HD11 ILE A 5 19.293 -12.235 -2.725 1.00 0.00 H new ATOM 0 HD12 ILE A 5 18.323 -10.895 -3.382 1.00 0.00 H new ATOM 0 HD13 ILE A 5 18.160 -12.530 -4.065 1.00 0.00 H new ATOM 100 N TRP A 6 20.934 -9.424 -8.997 1.00 0.00 N ATOM 101 CA TRP A 6 20.656 -9.127 -10.393 1.00 0.00 C ATOM 102 C TRP A 6 19.274 -8.476 -10.472 1.00 0.00 C ATOM 103 O TRP A 6 19.163 -7.254 -10.546 1.00 0.00 O ATOM 104 CB TRP A 6 20.776 -10.385 -11.254 1.00 0.00 C ATOM 105 CG TRP A 6 21.415 -11.574 -10.536 1.00 0.00 C ATOM 106 CD1 TRP A 6 20.830 -12.449 -9.705 1.00 0.00 C ATOM 107 CD2 TRP A 6 22.796 -11.987 -10.617 1.00 0.00 C ATOM 108 NE1 TRP A 6 21.728 -13.391 -9.248 1.00 0.00 N ATOM 109 CE2 TRP A 6 22.962 -13.101 -9.819 1.00 0.00 C ATOM 110 CE3 TRP A 6 23.869 -11.438 -11.341 1.00 0.00 C ATOM 111 CZ2 TRP A 6 24.187 -13.761 -9.670 1.00 0.00 C ATOM 112 CZ3 TRP A 6 25.087 -12.109 -11.181 1.00 0.00 C ATOM 113 CH2 TRP A 6 25.271 -13.231 -10.381 1.00 0.00 C ATOM 0 H TRP A 6 21.830 -9.074 -8.656 1.00 0.00 H new ATOM 0 HA TRP A 6 21.391 -8.429 -10.794 1.00 0.00 H new ATOM 0 HB2 TRP A 6 19.783 -10.673 -11.598 1.00 0.00 H new ATOM 0 HB3 TRP A 6 21.365 -10.151 -12.141 1.00 0.00 H new ATOM 0 HD1 TRP A 6 19.786 -12.420 -9.428 1.00 0.00 H new ATOM 0 HE1 TRP A 6 21.524 -14.159 -8.609 1.00 0.00 H new ATOM 0 HE3 TRP A 6 23.762 -10.567 -11.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 24.291 -14.632 -9.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 25.944 -11.728 -11.717 1.00 0.00 H new ATOM 0 HH2 TRP A 6 26.245 -13.692 -10.308 1.00 0.00 H new ATOM 124 N PHE A 7 18.255 -9.323 -10.453 1.00 0.00 N ATOM 125 CA PHE A 7 16.884 -8.846 -10.521 1.00 0.00 C ATOM 126 C PHE A 7 16.624 -7.771 -9.465 1.00 0.00 C ATOM 127 O PHE A 7 15.636 -7.042 -9.545 1.00 0.00 O ATOM 128 CB PHE A 7 15.978 -10.047 -10.244 1.00 0.00 C ATOM 129 CG PHE A 7 16.316 -11.287 -11.074 1.00 0.00 C ATOM 130 CD1 PHE A 7 15.877 -11.387 -12.357 1.00 0.00 C ATOM 131 CD2 PHE A 7 17.057 -12.288 -10.527 1.00 0.00 C ATOM 132 CE1 PHE A 7 16.192 -12.539 -13.126 1.00 0.00 C ATOM 133 CE2 PHE A 7 17.372 -13.439 -11.297 1.00 0.00 C ATOM 134 CZ PHE A 7 16.933 -13.540 -12.581 1.00 0.00 C ATOM 0 H PHE A 7 18.351 -10.337 -10.391 1.00 0.00 H new ATOM 0 HA PHE A 7 16.691 -8.408 -11.500 1.00 0.00 H new ATOM 0 HB2 PHE A 7 16.043 -10.302 -9.186 1.00 0.00 H new ATOM 0 HB3 PHE A 7 14.944 -9.762 -10.440 1.00 0.00 H new ATOM 0 HD1 PHE A 7 15.289 -10.591 -12.791 1.00 0.00 H new ATOM 0 HD2 PHE A 7 17.406 -12.208 -9.508 1.00 0.00 H new ATOM 0 HE1 PHE A 7 15.842 -12.620 -14.145 1.00 0.00 H new ATOM 0 HE2 PHE A 7 17.960 -14.234 -10.863 1.00 0.00 H new ATOM 0 HZ PHE A 7 17.173 -14.415 -13.167 1.00 0.00 H new ATOM 144 N GLN A 8 17.528 -7.704 -8.499 1.00 0.00 N ATOM 145 CA GLN A 8 17.410 -6.730 -7.427 1.00 0.00 C ATOM 146 C GLN A 8 18.302 -5.519 -7.709 1.00 0.00 C ATOM 147 O GLN A 8 18.507 -4.679 -6.835 1.00 0.00 O ATOM 148 CB GLN A 8 17.750 -7.359 -6.074 1.00 0.00 C ATOM 149 CG GLN A 8 16.669 -7.044 -5.038 1.00 0.00 C ATOM 150 CD GLN A 8 17.014 -7.664 -3.681 1.00 0.00 C ATOM 151 OE1 GLN A 8 17.715 -7.088 -2.867 1.00 0.00 O ATOM 152 NE2 GLN A 8 16.481 -8.867 -3.487 1.00 0.00 N ATOM 0 H GLN A 8 18.347 -8.309 -8.436 1.00 0.00 H new ATOM 0 HA GLN A 8 16.375 -6.391 -7.383 1.00 0.00 H new ATOM 0 HB2 GLN A 8 17.849 -8.439 -6.185 1.00 0.00 H new ATOM 0 HB3 GLN A 8 18.713 -6.985 -5.726 1.00 0.00 H new ATOM 0 HG2 GLN A 8 16.564 -5.964 -4.933 1.00 0.00 H new ATOM 0 HG3 GLN A 8 15.708 -7.425 -5.382 1.00 0.00 H new ATOM 0 HE21 GLN A 8 15.903 -9.292 -4.212 1.00 0.00 H new ATOM 0 HE22 GLN A 8 16.650 -9.365 -2.613 1.00 0.00 H new ATOM 161 N ASN A 9 18.811 -5.471 -8.931 1.00 0.00 N ATOM 162 CA ASN A 9 19.677 -4.378 -9.339 1.00 0.00 C ATOM 163 C ASN A 9 18.828 -3.260 -9.946 1.00 0.00 C ATOM 164 O ASN A 9 19.224 -2.641 -10.934 1.00 0.00 O ATOM 165 CB ASN A 9 20.683 -4.836 -10.397 1.00 0.00 C ATOM 166 CG ASN A 9 22.094 -4.356 -10.056 1.00 0.00 C ATOM 167 OD1 ASN A 9 22.858 -5.283 -9.483 1.00 0.00 O flip ATOM 168 ND2 ASN A 9 22.467 -3.220 -10.296 1.00 0.00 N flip ATOM 0 H ASN A 9 18.640 -6.172 -9.652 1.00 0.00 H new ATOM 0 HA ASN A 9 20.215 -4.028 -8.458 1.00 0.00 H new ATOM 0 HB2 ASN A 9 20.672 -5.924 -10.467 1.00 0.00 H new ATOM 0 HB3 ASN A 9 20.390 -4.450 -11.374 1.00 0.00 H new ATOM 0 HD21 ASN A 9 21.830 -2.557 -10.738 1.00 0.00 H new ATOM 0 HD22 ASN A 9 23.416 -2.933 -10.055 1.00 0.00 H new ATOM 175 N ARG A 10 17.677 -3.033 -9.332 1.00 0.00 N ATOM 176 CA ARG A 10 16.769 -2.001 -9.801 1.00 0.00 C ATOM 177 C ARG A 10 15.705 -1.708 -8.740 1.00 0.00 C ATOM 178 O ARG A 10 15.320 -0.556 -8.543 1.00 0.00 O ATOM 179 CB ARG A 10 16.081 -2.420 -11.101 1.00 0.00 C ATOM 180 CG ARG A 10 15.443 -3.805 -10.962 1.00 0.00 C ATOM 181 CD ARG A 10 16.489 -4.908 -11.130 1.00 0.00 C ATOM 182 NE ARG A 10 17.428 -4.555 -12.218 1.00 0.00 N ATOM 183 CZ ARG A 10 17.089 -4.501 -13.522 1.00 0.00 C ATOM 184 NH1 ARG A 10 15.828 -4.779 -13.915 1.00 0.00 N ATOM 185 NH2 ARG A 10 18.009 -4.174 -14.411 1.00 0.00 N ATOM 0 H ARG A 10 17.352 -3.547 -8.513 1.00 0.00 H new ATOM 0 HA ARG A 10 17.357 -1.103 -9.989 1.00 0.00 H new ATOM 0 HB2 ARG A 10 15.317 -1.689 -11.365 1.00 0.00 H new ATOM 0 HB3 ARG A 10 16.807 -2.430 -11.914 1.00 0.00 H new ATOM 0 HG2 ARG A 10 14.968 -3.895 -9.985 1.00 0.00 H new ATOM 0 HG3 ARG A 10 14.659 -3.925 -11.710 1.00 0.00 H new ATOM 0 HD2 ARG A 10 17.036 -5.047 -10.197 1.00 0.00 H new ATOM 0 HD3 ARG A 10 15.998 -5.855 -11.355 1.00 0.00 H new ATOM 0 HE ARG A 10 18.392 -4.339 -11.966 1.00 0.00 H new ATOM 0 HH11 ARG A 10 15.122 -5.032 -13.223 1.00 0.00 H new ATOM 0 HH12 ARG A 10 15.581 -4.736 -14.904 1.00 0.00 H new ATOM 0 HH21 ARG A 10 18.960 -3.967 -14.108 1.00 0.00 H new ATOM 0 HH22 ARG A 10 17.768 -4.129 -15.401 1.00 0.00 H new ATOM 198 N ARG A 11 15.260 -2.770 -8.085 1.00 0.00 N ATOM 199 CA ARG A 11 14.248 -2.642 -7.050 1.00 0.00 C ATOM 200 C ARG A 11 12.922 -2.182 -7.658 1.00 0.00 C ATOM 201 O ARG A 11 11.897 -2.841 -7.490 1.00 0.00 O ATOM 202 CB ARG A 11 14.683 -1.642 -5.977 1.00 0.00 C ATOM 203 CG ARG A 11 13.624 -1.523 -4.879 1.00 0.00 C ATOM 204 CD ARG A 11 14.243 -1.017 -3.574 1.00 0.00 C ATOM 205 NE ARG A 11 13.177 -0.579 -2.644 1.00 0.00 N ATOM 206 CZ ARG A 11 13.312 -0.542 -1.302 1.00 0.00 C ATOM 207 NH1 ARG A 11 14.470 -0.917 -0.719 1.00 0.00 N ATOM 208 NH2 ARG A 11 12.294 -0.132 -0.568 1.00 0.00 N ATOM 0 H ARG A 11 15.582 -3.724 -8.251 1.00 0.00 H new ATOM 0 HA ARG A 11 14.119 -3.621 -6.588 1.00 0.00 H new ATOM 0 HB2 ARG A 11 15.630 -1.960 -5.541 1.00 0.00 H new ATOM 0 HB3 ARG A 11 14.853 -0.666 -6.431 1.00 0.00 H new ATOM 0 HG2 ARG A 11 12.836 -0.842 -5.201 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.157 -2.494 -4.712 1.00 0.00 H new ATOM 0 HD2 ARG A 11 14.837 -1.807 -3.114 1.00 0.00 H new ATOM 0 HD3 ARG A 11 14.920 -0.188 -3.780 1.00 0.00 H new ATOM 0 HE ARG A 11 12.285 -0.287 -3.043 1.00 0.00 H new ATOM 0 HH11 ARG A 11 15.252 -1.232 -1.294 1.00 0.00 H new ATOM 0 HH12 ARG A 11 14.563 -0.886 0.296 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.423 0.151 -1.017 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.379 -0.098 0.448 1.00 0.00 H new ATOM 221 N MET A 12 12.984 -1.056 -8.353 1.00 0.00 N ATOM 222 CA MET A 12 11.801 -0.501 -8.987 1.00 0.00 C ATOM 223 C MET A 12 11.133 -1.532 -9.898 1.00 0.00 C ATOM 224 O MET A 12 10.037 -1.299 -10.407 1.00 0.00 O ATOM 225 CB MET A 12 12.191 0.730 -9.808 1.00 0.00 C ATOM 226 CG MET A 12 11.801 2.019 -9.082 1.00 0.00 C ATOM 227 SD MET A 12 13.148 2.572 -8.050 1.00 0.00 S ATOM 228 CE MET A 12 12.231 3.371 -6.744 1.00 0.00 C ATOM 0 H MET A 12 13.836 -0.513 -8.491 1.00 0.00 H new ATOM 0 HA MET A 12 11.093 -0.219 -8.208 1.00 0.00 H new ATOM 0 HB2 MET A 12 13.265 0.723 -9.993 1.00 0.00 H new ATOM 0 HB3 MET A 12 11.700 0.693 -10.781 1.00 0.00 H new ATOM 0 HG2 MET A 12 11.547 2.792 -9.808 1.00 0.00 H new ATOM 0 HG3 MET A 12 10.913 1.849 -8.474 1.00 0.00 H new ATOM 0 HE1 MET A 12 12.925 3.776 -6.007 1.00 0.00 H new ATOM 0 HE2 MET A 12 11.633 4.180 -7.162 1.00 0.00 H new ATOM 0 HE3 MET A 12 11.575 2.645 -6.264 1.00 0.00 H new ATOM 238 N LYS A 13 11.821 -2.649 -10.079 1.00 0.00 N ATOM 239 CA LYS A 13 11.308 -3.717 -10.921 1.00 0.00 C ATOM 240 C LYS A 13 12.070 -5.009 -10.620 1.00 0.00 C ATOM 241 O LYS A 13 12.866 -5.469 -11.437 1.00 0.00 O ATOM 242 CB LYS A 13 11.352 -3.306 -12.394 1.00 0.00 C ATOM 243 CG LYS A 13 10.137 -3.845 -13.150 1.00 0.00 C ATOM 244 CD LYS A 13 9.049 -2.775 -13.273 1.00 0.00 C ATOM 245 CE LYS A 13 7.668 -3.361 -12.970 1.00 0.00 C ATOM 246 NZ LYS A 13 7.270 -3.054 -11.578 1.00 0.00 N ATOM 0 H LYS A 13 12.730 -2.838 -9.657 1.00 0.00 H new ATOM 0 HA LYS A 13 10.258 -3.907 -10.698 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.380 -2.219 -12.471 1.00 0.00 H new ATOM 0 HB3 LYS A 13 12.266 -3.682 -12.853 1.00 0.00 H new ATOM 0 HG2 LYS A 13 10.440 -4.177 -14.143 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.738 -4.716 -12.631 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.260 -1.956 -12.585 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.058 -2.356 -14.279 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.933 -2.953 -13.663 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.683 -4.440 -13.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.331 -3.458 -11.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.963 -3.464 -10.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.236 -2.023 -11.446 1.00 0.00 H new ATOM 259 N TRP A 14 11.800 -5.558 -9.445 1.00 0.00 N ATOM 260 CA TRP A 14 12.450 -6.788 -9.025 1.00 0.00 C ATOM 261 C TRP A 14 11.887 -7.932 -9.872 1.00 0.00 C ATOM 262 O TRP A 14 11.347 -8.898 -9.335 1.00 0.00 O ATOM 263 CB TRP A 14 12.276 -7.015 -7.522 1.00 0.00 C ATOM 264 CG TRP A 14 10.848 -7.375 -7.108 1.00 0.00 C ATOM 265 CD1 TRP A 14 10.331 -8.595 -6.905 1.00 0.00 C ATOM 266 CD2 TRP A 14 9.768 -6.453 -6.855 1.00 0.00 C ATOM 267 NE1 TRP A 14 9.002 -8.527 -6.539 1.00 0.00 N ATOM 268 CE2 TRP A 14 8.648 -7.182 -6.508 1.00 0.00 C ATOM 269 CE3 TRP A 14 9.737 -5.049 -6.915 1.00 0.00 C ATOM 270 CZ2 TRP A 14 7.417 -6.595 -6.195 1.00 0.00 C ATOM 271 CZ3 TRP A 14 8.498 -4.476 -6.600 1.00 0.00 C ATOM 272 CH2 TRP A 14 7.362 -5.197 -6.249 1.00 0.00 C ATOM 0 H TRP A 14 11.139 -5.173 -8.770 1.00 0.00 H new ATOM 0 HA TRP A 14 13.526 -6.731 -9.187 1.00 0.00 H new ATOM 0 HB2 TRP A 14 12.947 -7.813 -7.206 1.00 0.00 H new ATOM 0 HB3 TRP A 14 12.581 -6.113 -6.991 1.00 0.00 H new ATOM 0 HD1 TRP A 14 10.885 -9.516 -7.014 1.00 0.00 H new ATOM 0 HE1 TRP A 14 8.392 -9.317 -6.330 1.00 0.00 H new ATOM 0 HE3 TRP A 14 10.601 -4.458 -7.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 6.556 -7.188 -5.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.420 -3.399 -6.632 1.00 0.00 H new ATOM 0 HH2 TRP A 14 6.442 -4.681 -6.019 1.00 0.00 H new ATOM 283 N LYS A 15 12.035 -7.785 -11.180 1.00 0.00 N ATOM 284 CA LYS A 15 11.550 -8.794 -12.106 1.00 0.00 C ATOM 285 C LYS A 15 12.027 -10.173 -11.647 1.00 0.00 C ATOM 286 O LYS A 15 13.196 -10.517 -11.813 1.00 0.00 O ATOM 287 CB LYS A 15 11.958 -8.448 -13.539 1.00 0.00 C ATOM 288 CG LYS A 15 13.462 -8.643 -13.743 1.00 0.00 C ATOM 289 CD LYS A 15 14.059 -7.496 -14.560 1.00 0.00 C ATOM 290 CE LYS A 15 15.272 -7.968 -15.363 1.00 0.00 C ATOM 291 NZ LYS A 15 14.899 -8.206 -16.776 1.00 0.00 N ATOM 0 H LYS A 15 12.484 -6.982 -11.621 1.00 0.00 H new ATOM 0 HA LYS A 15 10.460 -8.817 -12.107 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.408 -9.076 -14.239 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.689 -7.415 -13.758 1.00 0.00 H new ATOM 0 HG2 LYS A 15 13.959 -8.701 -12.775 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.644 -9.590 -14.252 1.00 0.00 H new ATOM 0 HD2 LYS A 15 13.304 -7.095 -15.237 1.00 0.00 H new ATOM 0 HD3 LYS A 15 14.353 -6.685 -13.894 1.00 0.00 H new ATOM 0 HE2 LYS A 15 16.063 -7.220 -15.311 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.670 -8.884 -14.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 15.734 -8.526 -17.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 14.160 -8.936 -16.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 14.541 -7.324 -17.194 1.00 0.00 H new ATOM 304 N LYS A 16 11.097 -10.927 -11.078 1.00 0.00 N ATOM 305 CA LYS A 16 11.408 -12.261 -10.593 1.00 0.00 C ATOM 306 C LYS A 16 10.302 -12.724 -9.642 1.00 0.00 C ATOM 307 O LYS A 16 10.011 -13.916 -9.557 1.00 0.00 O ATOM 308 CB LYS A 16 12.806 -12.293 -9.972 1.00 0.00 C ATOM 309 CG LYS A 16 12.922 -13.416 -8.941 1.00 0.00 C ATOM 310 CD LYS A 16 14.349 -13.966 -8.886 1.00 0.00 C ATOM 311 CE LYS A 16 14.576 -15.012 -9.979 1.00 0.00 C ATOM 312 NZ LYS A 16 15.656 -15.944 -9.587 1.00 0.00 N ATOM 0 H LYS A 16 10.128 -10.639 -10.942 1.00 0.00 H new ATOM 0 HA LYS A 16 11.435 -12.970 -11.420 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.552 -12.434 -10.754 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.019 -11.335 -9.497 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.634 -13.043 -7.958 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.229 -14.219 -9.193 1.00 0.00 H new ATOM 0 HD2 LYS A 16 15.062 -13.150 -9.005 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.534 -14.411 -7.908 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.655 -15.567 -10.156 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.836 -14.518 -10.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.529 -16.850 -10.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.577 -15.536 -9.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.622 -16.102 -8.560 1.00 0.00 H new ATOM 325 N ARG A 17 9.717 -11.757 -8.951 1.00 0.00 N ATOM 326 CA ARG A 17 8.650 -12.050 -8.010 1.00 0.00 C ATOM 327 C ARG A 17 7.458 -11.120 -8.250 1.00 0.00 C ATOM 328 O ARG A 17 6.481 -11.153 -7.504 1.00 0.00 O ATOM 329 CB ARG A 17 9.130 -11.890 -6.566 1.00 0.00 C ATOM 330 CG ARG A 17 10.171 -12.954 -6.213 1.00 0.00 C ATOM 331 CD ARG A 17 9.626 -13.930 -5.167 1.00 0.00 C ATOM 332 NE ARG A 17 10.706 -14.825 -4.699 1.00 0.00 N ATOM 333 CZ ARG A 17 11.050 -15.981 -5.307 1.00 0.00 C ATOM 334 NH1 ARG A 17 10.398 -16.391 -6.416 1.00 0.00 N ATOM 335 NH2 ARG A 17 12.032 -16.703 -4.801 1.00 0.00 N ATOM 0 H ARG A 17 9.962 -10.770 -9.024 1.00 0.00 H new ATOM 0 HA ARG A 17 8.345 -13.084 -8.167 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.559 -10.897 -6.429 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.281 -11.967 -5.886 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.456 -13.501 -7.112 1.00 0.00 H new ATOM 0 HG3 ARG A 17 11.072 -12.474 -5.832 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.209 -13.378 -4.325 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.814 -14.519 -5.595 1.00 0.00 H new ATOM 0 HE ARG A 17 11.224 -14.552 -3.864 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.640 -15.827 -6.800 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.663 -17.265 -6.870 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.519 -16.386 -3.963 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.304 -17.578 -5.248 1.00 0.00 H new ATOM 348 N VAL A 18 7.581 -10.314 -9.294 1.00 0.00 N ATOM 349 CA VAL A 18 6.526 -9.377 -9.642 1.00 0.00 C ATOM 350 C VAL A 18 5.236 -10.149 -9.930 1.00 0.00 C ATOM 351 O VAL A 18 4.200 -9.881 -9.325 1.00 0.00 O ATOM 352 CB VAL A 18 6.971 -8.500 -10.814 1.00 0.00 C ATOM 353 CG1 VAL A 18 7.261 -9.348 -12.055 1.00 0.00 C ATOM 354 CG2 VAL A 18 5.930 -7.422 -11.120 1.00 0.00 C ATOM 0 H VAL A 18 8.394 -10.290 -9.910 1.00 0.00 H new ATOM 0 HA VAL A 18 6.323 -8.705 -8.808 1.00 0.00 H new ATOM 0 HB VAL A 18 7.896 -8.001 -10.525 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.575 -8.700 -12.873 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.055 -10.061 -11.831 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.360 -9.888 -12.345 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.272 -6.813 -11.957 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.982 -7.894 -11.378 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.793 -6.789 -10.243 1.00 0.00 H new ATOM 364 N PHE A 19 5.343 -11.093 -10.853 1.00 0.00 N ATOM 365 CA PHE A 19 4.200 -11.907 -11.227 1.00 0.00 C ATOM 366 C PHE A 19 3.513 -12.490 -9.991 1.00 0.00 C ATOM 367 O PHE A 19 2.344 -12.869 -10.046 1.00 0.00 O ATOM 368 CB PHE A 19 4.730 -13.054 -12.089 1.00 0.00 C ATOM 369 CG PHE A 19 5.681 -12.608 -13.202 1.00 0.00 C ATOM 370 CD1 PHE A 19 5.190 -11.988 -14.309 1.00 0.00 C ATOM 371 CD2 PHE A 19 7.017 -12.833 -13.085 1.00 0.00 C ATOM 372 CE1 PHE A 19 6.073 -11.574 -15.341 1.00 0.00 C ATOM 373 CE2 PHE A 19 7.900 -12.419 -14.117 1.00 0.00 C ATOM 374 CZ PHE A 19 7.409 -11.798 -15.224 1.00 0.00 C ATOM 0 H PHE A 19 6.204 -11.312 -11.353 1.00 0.00 H new ATOM 0 HA PHE A 19 3.471 -11.299 -11.762 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.247 -13.768 -11.448 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.886 -13.580 -12.535 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.129 -11.811 -14.403 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.407 -13.327 -12.207 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.683 -11.081 -16.219 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.961 -12.597 -14.023 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.080 -11.483 -16.009 1.00 0.00 H new ATOM 384 N ASN A 20 4.268 -12.544 -8.903 1.00 0.00 N ATOM 385 CA ASN A 20 3.747 -13.074 -7.655 1.00 0.00 C ATOM 386 C ASN A 20 3.065 -11.950 -6.874 1.00 0.00 C ATOM 387 O ASN A 20 1.970 -12.133 -6.342 1.00 0.00 O ATOM 388 CB ASN A 20 4.871 -13.640 -6.785 1.00 0.00 C ATOM 389 CG ASN A 20 4.435 -14.937 -6.102 1.00 0.00 C ATOM 390 OD1 ASN A 20 3.350 -15.450 -6.319 1.00 0.00 O ATOM 391 ND2 ASN A 20 5.341 -15.439 -5.266 1.00 0.00 N ATOM 0 H ASN A 20 5.237 -12.229 -8.861 1.00 0.00 H new ATOM 0 HA ASN A 20 3.041 -13.869 -7.895 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.752 -13.826 -7.399 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.157 -12.906 -6.031 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.146 -16.304 -4.762 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.231 -14.959 -5.130 1.00 0.00 H new ATOM 398 N ASP A 21 3.740 -10.810 -6.829 1.00 0.00 N ATOM 399 CA ASP A 21 3.211 -9.655 -6.121 1.00 0.00 C ATOM 400 C ASP A 21 2.304 -8.858 -7.060 1.00 0.00 C ATOM 401 O ASP A 21 2.091 -7.664 -6.856 1.00 0.00 O ATOM 402 CB ASP A 21 4.339 -8.732 -5.655 1.00 0.00 C ATOM 403 CG ASP A 21 4.906 -9.051 -4.270 1.00 0.00 C ATOM 404 OD1 ASP A 21 5.486 -10.124 -4.049 1.00 0.00 O ATOM 405 OD2 ASP A 21 4.729 -8.130 -3.384 1.00 0.00 O ATOM 0 H ASP A 21 4.647 -10.661 -7.271 1.00 0.00 H new ATOM 0 HA ASP A 21 2.658 -10.015 -5.254 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.150 -8.778 -6.382 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.971 -7.706 -5.653 1.00 0.00 H new ATOM 411 N ALA A 22 1.795 -9.550 -8.068 1.00 0.00 N ATOM 412 CA ALA A 22 0.916 -8.921 -9.040 1.00 0.00 C ATOM 413 C ALA A 22 0.029 -7.897 -8.329 1.00 0.00 C ATOM 414 O ALA A 22 -0.308 -6.861 -8.900 1.00 0.00 O ATOM 415 CB ALA A 22 0.102 -9.996 -9.762 1.00 0.00 C ATOM 0 H ALA A 22 1.974 -10.540 -8.233 1.00 0.00 H new ATOM 0 HA ALA A 22 1.495 -8.389 -9.795 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.557 -9.525 -10.491 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.778 -10.682 -10.274 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.495 -10.549 -9.037 1.00 0.00 H new ATOM 421 N ARG A 23 -0.324 -8.222 -7.095 1.00 0.00 N ATOM 422 CA ARG A 23 -1.165 -7.343 -6.300 1.00 0.00 C ATOM 423 C ARG A 23 -1.796 -8.117 -5.141 1.00 0.00 C ATOM 424 O ARG A 23 -2.993 -7.992 -4.884 1.00 0.00 O ATOM 425 CB ARG A 23 -2.274 -6.723 -7.154 1.00 0.00 C ATOM 426 CG ARG A 23 -2.036 -5.226 -7.359 1.00 0.00 C ATOM 427 CD ARG A 23 -1.969 -4.492 -6.018 1.00 0.00 C ATOM 428 NE ARG A 23 -2.417 -3.091 -6.185 1.00 0.00 N ATOM 429 CZ ARG A 23 -2.586 -2.224 -5.165 1.00 0.00 C ATOM 430 NH1 ARG A 23 -2.345 -2.606 -3.893 1.00 0.00 N ATOM 431 NH2 ARG A 23 -2.990 -0.995 -5.430 1.00 0.00 N ATOM 0 H ARG A 23 -0.043 -9.083 -6.625 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.534 -6.545 -5.907 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.316 -7.224 -8.121 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.239 -6.879 -6.672 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.106 -5.074 -7.908 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.837 -4.807 -7.967 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.597 -4.998 -5.285 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.949 -4.513 -5.633 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.610 -2.760 -7.130 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.032 -3.557 -3.697 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.475 -1.944 -3.128 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.169 -0.714 -6.394 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.123 -0.327 -4.671 1.00 0.00 H new ATOM 444 N ASP A 24 -0.963 -8.899 -4.471 1.00 0.00 N ATOM 445 CA ASP A 24 -1.423 -9.693 -3.344 1.00 0.00 C ATOM 446 C ASP A 24 -0.229 -10.061 -2.462 1.00 0.00 C ATOM 447 O ASP A 24 -0.082 -9.535 -1.360 1.00 0.00 O ATOM 448 CB ASP A 24 -2.079 -10.992 -3.818 1.00 0.00 C ATOM 449 CG ASP A 24 -3.571 -11.115 -3.505 1.00 0.00 C ATOM 450 OD1 ASP A 24 -3.994 -12.003 -2.748 1.00 0.00 O ATOM 451 OD2 ASP A 24 -4.324 -10.240 -4.080 1.00 0.00 O ATOM 0 H ASP A 24 0.029 -9.000 -4.687 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.152 -9.101 -2.790 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.941 -11.079 -4.896 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.557 -11.833 -3.361 1.00 0.00 H new ATOM 457 N ILE A 25 0.594 -10.960 -2.980 1.00 0.00 N ATOM 458 CA ILE A 25 1.771 -11.404 -2.253 1.00 0.00 C ATOM 459 C ILE A 25 2.343 -12.652 -2.930 1.00 0.00 C ATOM 460 O ILE A 25 3.558 -12.792 -3.055 1.00 0.00 O ATOM 461 CB ILE A 25 1.443 -11.602 -0.772 1.00 0.00 C ATOM 462 CG1 ILE A 25 2.335 -10.726 0.109 1.00 0.00 C ATOM 463 CG2 ILE A 25 1.530 -13.080 -0.386 1.00 0.00 C ATOM 464 CD1 ILE A 25 2.082 -9.241 -0.159 1.00 0.00 C ATOM 0 H ILE A 25 0.469 -11.393 -3.895 1.00 0.00 H new ATOM 0 HA ILE A 25 2.548 -10.641 -2.283 1.00 0.00 H new ATOM 0 HB ILE A 25 0.414 -11.284 -0.604 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.145 -10.947 1.159 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.382 -10.960 -0.081 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.293 -13.194 0.672 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.820 -13.654 -0.981 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.540 -13.446 -0.573 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.729 -8.640 0.480 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.297 -9.018 -1.204 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.040 -9.005 0.056 1.00 0.00 H new ATOM 476 N ILE A 26 1.439 -13.525 -3.347 1.00 0.00 N ATOM 477 CA ILE A 26 1.838 -14.757 -4.007 1.00 0.00 C ATOM 478 C ILE A 26 0.939 -14.993 -5.223 1.00 0.00 C ATOM 479 O ILE A 26 0.749 -16.132 -5.646 1.00 0.00 O ATOM 480 CB ILE A 26 1.847 -15.920 -3.013 1.00 0.00 C ATOM 481 CG1 ILE A 26 2.879 -15.688 -1.907 1.00 0.00 C ATOM 482 CG2 ILE A 26 2.065 -17.253 -3.731 1.00 0.00 C ATOM 483 CD1 ILE A 26 2.254 -15.881 -0.524 1.00 0.00 C ATOM 0 H ILE A 26 0.432 -13.404 -3.241 1.00 0.00 H new ATOM 0 HA ILE A 26 2.860 -14.677 -4.376 1.00 0.00 H new ATOM 0 HB ILE A 26 0.869 -15.969 -2.535 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.713 -16.378 -2.033 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.285 -14.680 -1.989 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.067 -18.063 -3.002 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.262 -17.414 -4.450 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.021 -17.233 -4.253 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.009 -15.710 0.243 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.436 -15.173 -0.392 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.871 -16.898 -0.436 1.00 0.00 H new ATOM 495 N GLN A 27 0.411 -13.899 -5.750 1.00 0.00 N ATOM 496 CA GLN A 27 -0.463 -13.973 -6.908 1.00 0.00 C ATOM 497 C GLN A 27 -1.761 -14.698 -6.547 1.00 0.00 C ATOM 498 O GLN A 27 -2.598 -14.949 -7.414 1.00 0.00 O ATOM 499 CB GLN A 27 0.239 -14.656 -8.083 1.00 0.00 C ATOM 500 CG GLN A 27 -0.696 -14.774 -9.287 1.00 0.00 C ATOM 501 CD GLN A 27 0.096 -15.013 -10.575 1.00 0.00 C ATOM 502 OE1 GLN A 27 1.315 -15.024 -10.591 1.00 0.00 O ATOM 503 NE2 GLN A 27 -0.664 -15.201 -11.650 1.00 0.00 N ATOM 0 H GLN A 27 0.572 -12.956 -5.396 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.711 -12.958 -7.217 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.126 -14.087 -8.361 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.577 -15.648 -7.782 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.396 -15.594 -9.129 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.288 -13.864 -9.383 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.680 -15.179 -11.566 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.231 -15.367 -12.558 1.00 0.00 H new ATOM 512 N ARG A 28 -1.888 -15.017 -5.268 1.00 0.00 N ATOM 513 CA ARG A 28 -3.070 -15.709 -4.783 1.00 0.00 C ATOM 514 C ARG A 28 -2.863 -16.162 -3.335 1.00 0.00 C ATOM 515 O ARG A 28 -3.331 -17.229 -2.942 1.00 0.00 O ATOM 516 CB ARG A 28 -3.389 -16.928 -5.650 1.00 0.00 C ATOM 517 CG ARG A 28 -2.140 -17.781 -5.879 1.00 0.00 C ATOM 518 CD ARG A 28 -2.148 -19.019 -4.980 1.00 0.00 C ATOM 519 NE ARG A 28 -1.270 -20.064 -5.551 1.00 0.00 N ATOM 520 CZ ARG A 28 -1.054 -21.268 -4.977 1.00 0.00 C ATOM 521 NH1 ARG A 28 -1.654 -21.588 -3.810 1.00 0.00 N ATOM 522 NH2 ARG A 28 -0.249 -22.126 -5.574 1.00 0.00 N ATOM 0 H ARG A 28 -1.192 -14.809 -4.552 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.907 -15.012 -4.834 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.161 -17.529 -5.169 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.791 -16.601 -6.609 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.091 -18.087 -6.924 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.248 -17.187 -5.678 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.808 -18.754 -3.979 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.164 -19.400 -4.881 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.798 -19.863 -6.433 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.275 -20.919 -3.356 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.486 -22.499 -3.383 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.200 -21.876 -6.455 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.075 -23.039 -5.154 1.00 0.00 H new ATOM 535 N MET A 29 -2.161 -15.327 -2.583 1.00 0.00 N ATOM 536 CA MET A 29 -1.887 -15.628 -1.188 1.00 0.00 C ATOM 537 C MET A 29 -3.087 -16.310 -0.528 1.00 0.00 C ATOM 538 O MET A 29 -2.923 -17.106 0.397 1.00 0.00 O ATOM 539 CB MET A 29 -1.562 -14.333 -0.440 1.00 0.00 C ATOM 540 CG MET A 29 -2.839 -13.575 -0.073 1.00 0.00 C ATOM 541 SD MET A 29 -2.427 -12.045 0.747 1.00 0.00 S ATOM 542 CE MET A 29 -3.891 -11.823 1.743 1.00 0.00 C ATOM 0 H MET A 29 -1.774 -14.443 -2.913 1.00 0.00 H new ATOM 0 HA MET A 29 -1.036 -16.308 -1.143 1.00 0.00 H new ATOM 0 HB2 MET A 29 -0.999 -14.563 0.465 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.925 -13.701 -1.060 1.00 0.00 H new ATOM 0 HG2 MET A 29 -3.421 -13.370 -0.972 1.00 0.00 H new ATOM 0 HG3 MET A 29 -3.462 -14.189 0.577 1.00 0.00 H new ATOM 0 HE1 MET A 29 -3.800 -10.906 2.324 1.00 0.00 H new ATOM 0 HE2 MET A 29 -4.765 -11.757 1.095 1.00 0.00 H new ATOM 0 HE3 MET A 29 -4.003 -12.671 2.419 1.00 0.00 H new ATOM 552 N HIS A 30 -4.267 -15.975 -1.028 1.00 0.00 N ATOM 553 CA HIS A 30 -5.494 -16.545 -0.498 1.00 0.00 C ATOM 554 C HIS A 30 -6.680 -16.097 -1.354 1.00 0.00 C ATOM 555 O HIS A 30 -7.785 -15.913 -0.845 1.00 0.00 O ATOM 556 CB HIS A 30 -5.663 -16.193 0.981 1.00 0.00 C ATOM 557 CG HIS A 30 -5.692 -17.391 1.899 1.00 0.00 C ATOM 558 ND1 HIS A 30 -6.585 -18.437 1.740 1.00 0.00 N ATOM 559 CD2 HIS A 30 -4.927 -17.700 2.985 1.00 0.00 C ATOM 560 CE1 HIS A 30 -6.360 -19.328 2.694 1.00 0.00 C ATOM 561 NE2 HIS A 30 -5.333 -18.869 3.465 1.00 0.00 N ATOM 0 H HIS A 30 -4.400 -15.316 -1.795 1.00 0.00 H new ATOM 0 HA HIS A 30 -5.445 -17.633 -0.549 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.847 -15.537 1.283 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -6.588 -15.630 1.106 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -4.127 -17.096 3.386 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.896 -20.255 2.836 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -4.941 -19.346 4.277 1.00 0.00 H new ATOM 569 N LEU A 31 -6.411 -15.933 -2.642 1.00 0.00 N ATOM 570 CA LEU A 31 -7.442 -15.509 -3.573 1.00 0.00 C ATOM 571 C LEU A 31 -7.983 -16.730 -4.320 1.00 0.00 C ATOM 572 O LEU A 31 -7.712 -17.867 -3.935 1.00 0.00 O ATOM 573 CB LEU A 31 -6.912 -14.409 -4.496 1.00 0.00 C ATOM 574 CG LEU A 31 -7.249 -12.974 -4.090 1.00 0.00 C ATOM 575 CD1 LEU A 31 -6.570 -11.968 -5.021 1.00 0.00 C ATOM 576 CD2 LEU A 31 -8.763 -12.763 -4.024 1.00 0.00 C ATOM 0 H LEU A 31 -5.494 -16.086 -3.062 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.281 -15.066 -3.036 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.828 -14.504 -4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.303 -14.583 -5.498 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.857 -12.802 -3.088 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.826 -10.955 -4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.489 -12.100 -4.973 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.911 -12.131 -6.043 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.975 -11.734 -3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.201 -12.961 -5.002 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.194 -13.444 -3.290 1.00 0.00 H new ATOM 588 N ARG A 32 -8.736 -16.455 -5.375 1.00 0.00 N ATOM 589 CA ARG A 32 -9.316 -17.517 -6.179 1.00 0.00 C ATOM 590 C ARG A 32 -10.608 -18.024 -5.534 1.00 0.00 C ATOM 591 O ARG A 32 -10.977 -19.185 -5.706 1.00 0.00 O ATOM 592 CB ARG A 32 -8.341 -18.685 -6.336 1.00 0.00 C ATOM 593 CG ARG A 32 -8.642 -19.485 -7.605 1.00 0.00 C ATOM 594 CD ARG A 32 -7.675 -19.114 -8.730 1.00 0.00 C ATOM 595 NE ARG A 32 -6.906 -20.307 -9.149 1.00 0.00 N ATOM 596 CZ ARG A 32 -6.355 -20.462 -10.372 1.00 0.00 C ATOM 597 NH1 ARG A 32 -6.484 -19.498 -11.308 1.00 0.00 N ATOM 598 NH2 ARG A 32 -5.688 -21.569 -10.639 1.00 0.00 N ATOM 0 H ARG A 32 -8.958 -15.511 -5.692 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.534 -17.106 -7.165 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.319 -18.308 -6.374 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.408 -19.338 -5.466 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.567 -20.552 -7.393 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.667 -19.295 -7.924 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.228 -18.711 -9.578 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.994 -18.332 -8.393 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.785 -21.060 -8.471 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.001 -18.645 -11.094 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.065 -19.623 -12.230 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.595 -22.293 -9.926 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.266 -21.701 -11.558 1.00 0.00 H new ATOM 611 N GLN A 33 -11.260 -17.129 -4.807 1.00 0.00 N ATOM 612 CA GLN A 33 -12.503 -17.471 -4.136 1.00 0.00 C ATOM 613 C GLN A 33 -13.698 -16.944 -4.932 1.00 0.00 C ATOM 614 O GLN A 33 -14.554 -16.249 -4.387 1.00 0.00 O ATOM 615 CB GLN A 33 -12.519 -16.935 -2.704 1.00 0.00 C ATOM 616 CG GLN A 33 -11.877 -17.933 -1.738 1.00 0.00 C ATOM 617 CD GLN A 33 -10.491 -17.455 -1.299 1.00 0.00 C ATOM 618 OE1 GLN A 33 -9.723 -17.032 -2.299 1.00 0.00 O flip ATOM 619 NE2 GLN A 33 -10.141 -17.471 -0.130 1.00 0.00 N flip ATOM 0 H GLN A 33 -10.951 -16.167 -4.668 1.00 0.00 H new ATOM 0 HA GLN A 33 -12.577 -18.557 -4.083 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -11.984 -15.986 -2.661 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -13.546 -16.736 -2.398 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.515 -18.061 -0.864 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -11.794 -18.908 -2.218 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.781 -17.809 0.589 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.209 -17.147 0.128 1.00 0.00 H new ATOM 628 N TYR A 34 -13.719 -17.296 -6.210 1.00 0.00 N ATOM 629 CA TYR A 34 -14.796 -16.866 -7.087 1.00 0.00 C ATOM 630 C TYR A 34 -16.124 -17.503 -6.675 1.00 0.00 C ATOM 631 O TYR A 34 -17.182 -17.119 -7.174 1.00 0.00 O ATOM 632 CB TYR A 34 -14.421 -17.358 -8.486 1.00 0.00 C ATOM 633 CG TYR A 34 -14.806 -18.813 -8.759 1.00 0.00 C ATOM 634 CD1 TYR A 34 -14.118 -19.837 -8.141 1.00 0.00 C ATOM 635 CD2 TYR A 34 -15.843 -19.102 -9.624 1.00 0.00 C ATOM 636 CE1 TYR A 34 -14.481 -21.206 -8.398 1.00 0.00 C ATOM 637 CE2 TYR A 34 -16.206 -20.472 -9.880 1.00 0.00 C ATOM 638 CZ TYR A 34 -15.507 -21.456 -9.255 1.00 0.00 C ATOM 639 OH TYR A 34 -15.850 -22.750 -9.498 1.00 0.00 O ATOM 0 H TYR A 34 -13.008 -17.874 -6.659 1.00 0.00 H new ATOM 0 HA TYR A 34 -14.919 -15.784 -7.043 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -14.905 -16.720 -9.226 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -13.345 -17.246 -8.623 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -13.307 -19.611 -7.464 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -16.382 -18.301 -10.108 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -13.950 -22.017 -7.921 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -17.015 -20.712 -10.553 1.00 0.00 H new ATOM 0 HH TYR A 34 -16.600 -22.777 -10.128 1.00 0.00 H new ATOM 649 N GLU A 35 -16.028 -18.465 -5.770 1.00 0.00 N ATOM 650 CA GLU A 35 -17.209 -19.159 -5.285 1.00 0.00 C ATOM 651 C GLU A 35 -17.962 -18.285 -4.279 1.00 0.00 C ATOM 652 O GLU A 35 -17.380 -17.385 -3.675 1.00 0.00 O ATOM 653 CB GLU A 35 -16.839 -20.509 -4.669 1.00 0.00 C ATOM 654 CG GLU A 35 -17.623 -21.646 -5.329 1.00 0.00 C ATOM 655 CD GLU A 35 -18.810 -22.068 -4.462 1.00 0.00 C ATOM 656 OE1 GLU A 35 -18.630 -22.800 -3.477 1.00 0.00 O ATOM 657 OE2 GLU A 35 -19.954 -21.608 -4.842 1.00 0.00 O ATOM 0 H GLU A 35 -15.150 -18.781 -5.359 1.00 0.00 H new ATOM 0 HA GLU A 35 -17.866 -19.353 -6.133 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -15.770 -20.685 -4.785 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -17.045 -20.493 -3.599 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -17.979 -21.327 -6.309 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -16.965 -22.500 -5.492 1.00 0.00 H new ATOM 665 N LEU A 36 -19.245 -18.582 -4.130 1.00 0.00 N ATOM 666 CA LEU A 36 -20.084 -17.835 -3.208 1.00 0.00 C ATOM 667 C LEU A 36 -20.560 -16.548 -3.886 1.00 0.00 C ATOM 668 O LEU A 36 -21.703 -16.133 -3.702 1.00 0.00 O ATOM 669 CB LEU A 36 -19.347 -17.597 -1.887 1.00 0.00 C ATOM 670 CG LEU A 36 -18.624 -16.255 -1.755 1.00 0.00 C ATOM 671 CD1 LEU A 36 -19.425 -15.285 -0.883 1.00 0.00 C ATOM 672 CD2 LEU A 36 -17.198 -16.449 -1.235 1.00 0.00 C ATOM 0 H LEU A 36 -19.724 -19.330 -4.632 1.00 0.00 H new ATOM 0 HA LEU A 36 -20.974 -18.409 -2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -20.066 -17.681 -1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -18.617 -18.395 -1.752 1.00 0.00 H new ATOM 0 HG LEU A 36 -18.547 -15.809 -2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -18.890 -14.339 -0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -20.402 -15.113 -1.334 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -19.554 -15.712 0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -16.707 -15.480 -1.151 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -17.230 -16.926 -0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -16.641 -17.079 -1.928 1.00 0.00 H new ATOM 684 N LEU A 37 -19.661 -15.954 -4.655 1.00 0.00 N ATOM 685 CA LEU A 37 -19.976 -14.724 -5.361 1.00 0.00 C ATOM 686 C LEU A 37 -21.275 -14.910 -6.146 1.00 0.00 C ATOM 687 O LEU A 37 -21.675 -14.032 -6.909 1.00 0.00 O ATOM 688 CB LEU A 37 -18.792 -14.285 -6.227 1.00 0.00 C ATOM 689 CG LEU A 37 -18.077 -13.007 -5.788 1.00 0.00 C ATOM 690 CD1 LEU A 37 -16.953 -12.645 -6.760 1.00 0.00 C ATOM 691 CD2 LEU A 37 -19.071 -11.858 -5.607 1.00 0.00 C ATOM 0 H LEU A 37 -18.714 -16.301 -4.805 1.00 0.00 H new ATOM 0 HA LEU A 37 -20.144 -13.911 -4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -18.064 -15.096 -6.249 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -19.146 -14.147 -7.248 1.00 0.00 H new ATOM 0 HG LEU A 37 -17.616 -13.190 -4.818 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -16.461 -11.732 -6.424 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -16.227 -13.457 -6.795 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -17.369 -12.488 -7.755 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -18.537 -10.961 -5.295 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -19.581 -11.666 -6.551 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -19.804 -12.127 -4.846 1.00 0.00 H new TER 703 LEU A 37