USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 674 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 32 SER OG : rot 180:sc= -5.65! USER MOD Set 1.2: A 64 MET CE :methyl 152:sc= -7.49! (180deg=-4.84!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 156:sc= 0.21 (180deg=0.0384) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 134:sc= -2.09! USER MOD Single : A 23 SER OG : rot -24:sc= 0.403 USER MOD Single : A 25 SER OG : rot 101:sc= -0.604! USER MOD Single : A 28 ASN : amide:sc= -0.379! K(o=-0.38!,f=-1.5) USER MOD Single : A 35 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00448) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN :FLIP amide:sc= -2.91 F(o=-8.2!,f=-2.9) USER MOD Single : A 43 SER OG : rot 110:sc= -2.25! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 43:sc= -7.44! USER MOD Single : A 61 HIS :FLIP no HE2:sc= -7.9! C(o=-8.6!,f=-7.9!) USER MOD Single : A 74 MET CE :methyl -132:sc= -3.13! (180deg=-6.96!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 98:sc= -0.698! USER MOD Single : A 88 MET CE :methyl -130:sc= -0.333 (180deg=-1.76!) USER MOD Single : A 89 SER OG : rot -50:sc= 0.764 USER MOD ----------------------------------------------------------------- ATOM 15 N TRP A 7 -12.003 -3.119 17.188 1.00 0.00 N ATOM 16 CA TRP A 7 -11.101 -2.455 16.210 1.00 0.00 C ATOM 17 C TRP A 7 -10.088 -3.469 15.681 1.00 0.00 C ATOM 18 O TRP A 7 -9.270 -3.981 16.419 1.00 0.00 O ATOM 19 CB TRP A 7 -10.393 -1.350 16.999 1.00 0.00 C ATOM 20 CG TRP A 7 -9.589 -0.512 16.060 1.00 0.00 C ATOM 21 CD1 TRP A 7 -9.708 -0.534 14.716 1.00 0.00 C ATOM 22 CD2 TRP A 7 -8.553 0.466 16.364 1.00 0.00 C ATOM 23 NE1 TRP A 7 -8.811 0.365 14.170 1.00 0.00 N ATOM 24 CE2 TRP A 7 -8.074 1.007 15.146 1.00 0.00 C ATOM 25 CE3 TRP A 7 -7.986 0.931 17.564 1.00 0.00 C ATOM 26 CZ2 TRP A 7 -7.069 1.976 15.122 1.00 0.00 C ATOM 27 CZ3 TRP A 7 -6.975 1.906 17.544 1.00 0.00 C ATOM 28 CH2 TRP A 7 -6.518 2.427 16.325 1.00 0.00 C ATOM 0 HA TRP A 7 -11.639 -2.052 15.352 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -11.125 -0.733 17.520 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -9.746 -1.787 17.759 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -10.393 -1.154 14.157 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -8.706 0.534 13.169 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -8.330 0.535 18.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -6.720 2.374 14.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -6.548 2.256 18.472 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.741 3.177 16.316 1.00 0.00 H new ATOM 39 N ALA A 8 -10.137 -3.764 14.411 1.00 0.00 N ATOM 40 CA ALA A 8 -9.175 -4.744 13.834 1.00 0.00 C ATOM 41 C ALA A 8 -7.784 -4.511 14.422 1.00 0.00 C ATOM 42 O ALA A 8 -6.981 -5.417 14.526 1.00 0.00 O ATOM 43 CB ALA A 8 -9.177 -4.458 12.334 1.00 0.00 C ATOM 0 H ALA A 8 -10.803 -3.368 13.747 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.447 -5.777 14.052 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.491 -5.140 11.833 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.183 -4.599 11.938 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.859 -3.430 12.159 1.00 0.00 H new ATOM 49 N VAL A 9 -7.500 -3.302 14.818 1.00 0.00 N ATOM 50 CA VAL A 9 -6.167 -3.007 15.411 1.00 0.00 C ATOM 51 C VAL A 9 -6.276 -2.981 16.938 1.00 0.00 C ATOM 52 O VAL A 9 -7.300 -2.635 17.491 1.00 0.00 O ATOM 53 CB VAL A 9 -5.783 -1.629 14.868 1.00 0.00 C ATOM 54 CG1 VAL A 9 -4.610 -1.067 15.674 1.00 0.00 C ATOM 55 CG2 VAL A 9 -5.373 -1.759 13.399 1.00 0.00 C ATOM 0 H VAL A 9 -8.134 -2.505 14.756 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.420 -3.758 15.156 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.636 -0.956 14.953 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.338 -0.086 15.285 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.899 -0.975 16.721 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.756 -1.739 15.591 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.099 -0.779 13.010 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.520 -2.433 13.318 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.207 -2.158 12.822 1.00 0.00 H new ATOM 65 N LYS A 10 -5.229 -3.351 17.621 1.00 0.00 N ATOM 66 CA LYS A 10 -5.273 -3.353 19.111 1.00 0.00 C ATOM 67 C LYS A 10 -4.355 -2.263 19.663 1.00 0.00 C ATOM 68 O LYS A 10 -3.621 -1.640 18.922 1.00 0.00 O ATOM 69 CB LYS A 10 -4.759 -4.737 19.513 1.00 0.00 C ATOM 70 CG LYS A 10 -5.940 -5.691 19.696 1.00 0.00 C ATOM 71 CD LYS A 10 -5.800 -6.868 18.728 1.00 0.00 C ATOM 72 CE LYS A 10 -7.150 -7.576 18.584 1.00 0.00 C ATOM 73 NZ LYS A 10 -6.891 -8.719 17.665 1.00 0.00 N ATOM 0 H LYS A 10 -4.344 -3.652 17.212 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.272 -3.157 19.500 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.084 -5.121 18.749 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.187 -4.669 20.438 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.973 -6.053 20.723 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.877 -5.166 19.513 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.458 -6.514 17.756 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.048 -7.567 19.095 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.519 -7.922 19.550 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.906 -6.905 18.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.771 -9.253 17.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.548 -8.359 16.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.173 -9.345 18.083 1.00 0.00 H new ATOM 87 N PRO A 11 -4.412 -2.078 20.952 1.00 0.00 N ATOM 88 CA PRO A 11 -3.554 -1.062 21.605 1.00 0.00 C ATOM 89 C PRO A 11 -2.096 -1.514 21.544 1.00 0.00 C ATOM 90 O PRO A 11 -1.188 -0.719 21.402 1.00 0.00 O ATOM 91 CB PRO A 11 -4.067 -1.026 23.041 1.00 0.00 C ATOM 92 CG PRO A 11 -4.708 -2.359 23.251 1.00 0.00 C ATOM 93 CD PRO A 11 -5.263 -2.784 21.917 1.00 0.00 C ATOM 0 HA PRO A 11 -3.594 -0.080 21.133 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.253 -0.863 23.748 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.782 -0.216 23.185 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.982 -3.085 23.618 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.500 -2.295 23.998 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.208 -3.865 21.785 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.311 -2.502 21.810 1.00 0.00 H new ATOM 101 N GLU A 12 -1.871 -2.795 21.636 1.00 0.00 N ATOM 102 CA GLU A 12 -0.478 -3.316 21.567 1.00 0.00 C ATOM 103 C GLU A 12 -0.028 -3.389 20.107 1.00 0.00 C ATOM 104 O GLU A 12 1.144 -3.297 19.801 1.00 0.00 O ATOM 105 CB GLU A 12 -0.548 -4.714 22.180 1.00 0.00 C ATOM 106 CG GLU A 12 -1.391 -5.622 21.283 1.00 0.00 C ATOM 107 CD GLU A 12 -1.308 -7.063 21.788 1.00 0.00 C ATOM 108 OE1 GLU A 12 -2.080 -7.407 22.668 1.00 0.00 O ATOM 109 OE2 GLU A 12 -0.474 -7.798 21.286 1.00 0.00 O ATOM 0 H GLU A 12 -2.594 -3.505 21.756 1.00 0.00 H new ATOM 0 HA GLU A 12 0.235 -2.681 22.093 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.456 -5.125 22.291 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.984 -4.664 23.178 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.428 -5.286 21.280 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.035 -5.566 20.254 1.00 0.00 H new ATOM 116 N ASP A 13 -0.957 -3.537 19.201 1.00 0.00 N ATOM 117 CA ASP A 13 -0.586 -3.595 17.761 1.00 0.00 C ATOM 118 C ASP A 13 -0.440 -2.174 17.238 1.00 0.00 C ATOM 119 O ASP A 13 0.477 -1.854 16.510 1.00 0.00 O ATOM 120 CB ASP A 13 -1.746 -4.315 17.074 1.00 0.00 C ATOM 121 CG ASP A 13 -1.474 -5.819 17.057 1.00 0.00 C ATOM 122 OD1 ASP A 13 -0.689 -6.249 16.228 1.00 0.00 O ATOM 123 OD2 ASP A 13 -2.054 -6.516 17.873 1.00 0.00 O ATOM 0 H ASP A 13 -1.955 -3.620 19.397 1.00 0.00 H new ATOM 0 HA ASP A 13 0.356 -4.113 17.581 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.678 -4.109 17.600 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.866 -3.945 16.056 1.00 0.00 H new ATOM 128 N LYS A 14 -1.328 -1.308 17.633 1.00 0.00 N ATOM 129 CA LYS A 14 -1.226 0.104 17.189 1.00 0.00 C ATOM 130 C LYS A 14 -0.007 0.736 17.856 1.00 0.00 C ATOM 131 O LYS A 14 0.487 1.766 17.440 1.00 0.00 O ATOM 132 CB LYS A 14 -2.512 0.770 17.672 1.00 0.00 C ATOM 133 CG LYS A 14 -2.728 2.079 16.912 1.00 0.00 C ATOM 134 CD LYS A 14 -2.724 3.245 17.902 1.00 0.00 C ATOM 135 CE LYS A 14 -3.418 4.454 17.273 1.00 0.00 C ATOM 136 NZ LYS A 14 -2.613 5.628 17.708 1.00 0.00 N ATOM 0 H LYS A 14 -2.118 -1.518 18.243 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.111 0.208 16.110 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.360 0.103 17.516 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.453 0.965 18.743 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.942 2.215 16.169 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.675 2.048 16.373 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.235 2.957 18.821 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.700 3.501 18.174 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.444 4.373 16.186 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.451 4.536 17.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.746 6.409 17.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.923 5.930 18.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.607 5.366 17.740 1.00 0.00 H new ATOM 150 N ALA A 15 0.484 0.108 18.892 1.00 0.00 N ATOM 151 CA ALA A 15 1.678 0.642 19.600 1.00 0.00 C ATOM 152 C ALA A 15 2.907 0.481 18.709 1.00 0.00 C ATOM 153 O ALA A 15 3.722 1.374 18.590 1.00 0.00 O ATOM 154 CB ALA A 15 1.808 -0.215 20.859 1.00 0.00 C ATOM 0 H ALA A 15 0.105 -0.757 19.278 1.00 0.00 H new ATOM 0 HA ALA A 15 1.588 1.701 19.844 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.670 0.117 21.438 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.905 -0.115 21.462 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.942 -1.259 20.576 1.00 0.00 H new ATOM 160 N LYS A 16 3.034 -0.645 18.063 1.00 0.00 N ATOM 161 CA LYS A 16 4.195 -0.849 17.162 1.00 0.00 C ATOM 162 C LYS A 16 4.012 0.043 15.933 1.00 0.00 C ATOM 163 O LYS A 16 4.962 0.489 15.321 1.00 0.00 O ATOM 164 CB LYS A 16 4.172 -2.344 16.816 1.00 0.00 C ATOM 165 CG LYS A 16 3.367 -2.582 15.543 1.00 0.00 C ATOM 166 CD LYS A 16 3.316 -4.078 15.237 1.00 0.00 C ATOM 167 CE LYS A 16 3.884 -4.332 13.839 1.00 0.00 C ATOM 168 NZ LYS A 16 5.300 -4.733 14.067 1.00 0.00 N ATOM 0 H LYS A 16 2.384 -1.429 18.122 1.00 0.00 H new ATOM 0 HA LYS A 16 5.156 -0.584 17.604 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.191 -2.709 16.683 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.736 -2.908 17.641 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.357 -2.191 15.662 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.820 -2.046 14.709 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.889 -4.632 15.980 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.288 -4.437 15.295 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.329 -5.116 13.324 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.822 -3.438 13.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.758 -4.924 13.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.805 -3.964 14.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.328 -5.591 14.654 1.00 0.00 H new ATOM 182 N TYR A 17 2.783 0.334 15.598 1.00 0.00 N ATOM 183 CA TYR A 17 2.516 1.230 14.441 1.00 0.00 C ATOM 184 C TYR A 17 2.961 2.643 14.813 1.00 0.00 C ATOM 185 O TYR A 17 3.493 3.377 14.004 1.00 0.00 O ATOM 186 CB TYR A 17 0.997 1.190 14.242 1.00 0.00 C ATOM 187 CG TYR A 17 0.539 -0.218 13.929 1.00 0.00 C ATOM 188 CD1 TYR A 17 1.471 -1.251 13.774 1.00 0.00 C ATOM 189 CD2 TYR A 17 -0.829 -0.486 13.791 1.00 0.00 C ATOM 190 CE1 TYR A 17 1.035 -2.549 13.482 1.00 0.00 C ATOM 191 CE2 TYR A 17 -1.265 -1.784 13.498 1.00 0.00 C ATOM 192 CZ TYR A 17 -0.332 -2.815 13.342 1.00 0.00 C ATOM 193 OH TYR A 17 -0.760 -4.094 13.055 1.00 0.00 O ATOM 0 H TYR A 17 1.952 -0.012 16.078 1.00 0.00 H new ATOM 0 HA TYR A 17 3.044 0.929 13.536 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.497 1.550 15.141 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.713 1.860 13.430 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.526 -1.047 13.880 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.549 0.310 13.911 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.754 -3.346 13.365 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.320 -1.989 13.393 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.510 -4.327 13.641 1.00 0.00 H new ATOM 203 N ASP A 18 2.748 3.018 16.045 1.00 0.00 N ATOM 204 CA ASP A 18 3.156 4.378 16.502 1.00 0.00 C ATOM 205 C ASP A 18 4.680 4.477 16.550 1.00 0.00 C ATOM 206 O ASP A 18 5.241 5.545 16.687 1.00 0.00 O ATOM 207 CB ASP A 18 2.565 4.516 17.902 1.00 0.00 C ATOM 208 CG ASP A 18 1.191 5.181 17.810 1.00 0.00 C ATOM 209 OD1 ASP A 18 1.115 6.257 17.241 1.00 0.00 O ATOM 210 OD2 ASP A 18 0.239 4.602 18.308 1.00 0.00 O ATOM 0 H ASP A 18 2.307 2.438 16.759 1.00 0.00 H new ATOM 0 HA ASP A 18 2.806 5.165 15.834 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.476 3.535 18.369 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.227 5.110 18.531 1.00 0.00 H new ATOM 215 N ALA A 19 5.354 3.371 16.408 1.00 0.00 N ATOM 216 CA ALA A 19 6.842 3.402 16.411 1.00 0.00 C ATOM 217 C ALA A 19 7.292 3.525 14.968 1.00 0.00 C ATOM 218 O ALA A 19 8.260 4.184 14.644 1.00 0.00 O ATOM 219 CB ALA A 19 7.279 2.064 17.006 1.00 0.00 C ATOM 0 H ALA A 19 4.939 2.447 16.290 1.00 0.00 H new ATOM 0 HA ALA A 19 7.265 4.228 16.983 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.368 2.018 17.038 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.882 1.968 18.016 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.900 1.250 16.388 1.00 0.00 H new ATOM 225 N ILE A 20 6.550 2.911 14.096 1.00 0.00 N ATOM 226 CA ILE A 20 6.856 2.989 12.655 1.00 0.00 C ATOM 227 C ILE A 20 6.304 4.309 12.127 1.00 0.00 C ATOM 228 O ILE A 20 6.822 4.889 11.195 1.00 0.00 O ATOM 229 CB ILE A 20 6.112 1.798 12.061 1.00 0.00 C ATOM 230 CG1 ILE A 20 6.885 0.508 12.348 1.00 0.00 C ATOM 231 CG2 ILE A 20 5.968 1.986 10.560 1.00 0.00 C ATOM 232 CD1 ILE A 20 5.911 -0.673 12.379 1.00 0.00 C ATOM 0 H ILE A 20 5.731 2.350 14.330 1.00 0.00 H new ATOM 0 HA ILE A 20 7.918 2.957 12.413 1.00 0.00 H new ATOM 0 HB ILE A 20 5.123 1.729 12.513 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.644 0.348 11.582 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.407 0.588 13.302 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.436 1.134 10.136 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.408 2.900 10.360 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.956 2.059 10.106 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.460 -1.592 12.583 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.169 -0.512 13.161 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.410 -0.757 11.415 1.00 0.00 H new ATOM 244 N PHE A 21 5.263 4.798 12.748 1.00 0.00 N ATOM 245 CA PHE A 21 4.674 6.096 12.325 1.00 0.00 C ATOM 246 C PHE A 21 5.584 7.222 12.824 1.00 0.00 C ATOM 247 O PHE A 21 5.773 8.228 12.169 1.00 0.00 O ATOM 248 CB PHE A 21 3.286 6.129 12.996 1.00 0.00 C ATOM 249 CG PHE A 21 2.938 7.526 13.464 1.00 0.00 C ATOM 250 CD1 PHE A 21 3.586 8.068 14.580 1.00 0.00 C ATOM 251 CD2 PHE A 21 1.966 8.275 12.787 1.00 0.00 C ATOM 252 CE1 PHE A 21 3.267 9.357 15.019 1.00 0.00 C ATOM 253 CE2 PHE A 21 1.647 9.567 13.228 1.00 0.00 C ATOM 254 CZ PHE A 21 2.298 10.106 14.344 1.00 0.00 C ATOM 0 H PHE A 21 4.795 4.349 13.535 1.00 0.00 H new ATOM 0 HA PHE A 21 4.581 6.216 11.246 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.530 5.779 12.292 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.273 5.444 13.844 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.334 7.490 15.103 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.464 7.858 11.927 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.769 9.774 15.879 1.00 0.00 H new ATOM 0 HE2 PHE A 21 0.899 10.146 12.707 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.052 11.101 14.684 1.00 0.00 H new ATOM 264 N ASP A 22 6.153 7.043 13.982 1.00 0.00 N ATOM 265 CA ASP A 22 7.062 8.081 14.543 1.00 0.00 C ATOM 266 C ASP A 22 8.492 7.829 14.062 1.00 0.00 C ATOM 267 O ASP A 22 9.397 8.591 14.343 1.00 0.00 O ATOM 268 CB ASP A 22 6.962 7.921 16.059 1.00 0.00 C ATOM 269 CG ASP A 22 7.946 8.873 16.741 1.00 0.00 C ATOM 270 OD1 ASP A 22 9.129 8.571 16.741 1.00 0.00 O ATOM 271 OD2 ASP A 22 7.502 9.888 17.250 1.00 0.00 O ATOM 0 H ASP A 22 6.027 6.218 14.568 1.00 0.00 H new ATOM 0 HA ASP A 22 6.792 9.089 14.229 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.946 8.133 16.391 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.181 6.891 16.341 1.00 0.00 H new ATOM 276 N SER A 23 8.697 6.778 13.314 1.00 0.00 N ATOM 277 CA SER A 23 10.058 6.489 12.785 1.00 0.00 C ATOM 278 C SER A 23 10.199 7.152 11.414 1.00 0.00 C ATOM 279 O SER A 23 11.218 7.057 10.759 1.00 0.00 O ATOM 280 CB SER A 23 10.125 4.965 12.665 1.00 0.00 C ATOM 281 OG SER A 23 11.327 4.597 12.006 1.00 0.00 O ATOM 0 H SER A 23 7.977 6.106 13.047 1.00 0.00 H new ATOM 0 HA SER A 23 10.858 6.867 13.422 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.085 4.509 13.654 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.264 4.595 12.109 1.00 0.00 H new ATOM 0 HG SER A 23 11.635 5.341 11.448 1.00 0.00 H new ATOM 287 N LEU A 24 9.166 7.829 10.989 1.00 0.00 N ATOM 288 CA LEU A 24 9.187 8.520 9.668 1.00 0.00 C ATOM 289 C LEU A 24 9.144 10.034 9.887 1.00 0.00 C ATOM 290 O LEU A 24 9.229 10.806 8.953 1.00 0.00 O ATOM 291 CB LEU A 24 7.910 8.074 8.937 1.00 0.00 C ATOM 292 CG LEU A 24 7.403 6.737 9.481 1.00 0.00 C ATOM 293 CD1 LEU A 24 6.049 6.412 8.850 1.00 0.00 C ATOM 294 CD2 LEU A 24 8.400 5.634 9.135 1.00 0.00 C ATOM 0 H LEU A 24 8.295 7.934 11.510 1.00 0.00 H new ATOM 0 HA LEU A 24 10.084 8.278 9.099 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.137 8.834 9.052 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.111 7.983 7.870 1.00 0.00 H new ATOM 0 HG LEU A 24 7.295 6.804 10.564 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.687 5.460 9.237 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.335 7.198 9.095 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.159 6.346 7.768 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.038 4.682 9.523 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.508 5.567 8.052 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.367 5.864 9.582 1.00 0.00 H new ATOM 306 N SER A 25 8.986 10.449 11.123 1.00 0.00 N ATOM 307 CA SER A 25 8.910 11.910 11.458 1.00 0.00 C ATOM 308 C SER A 25 7.488 12.422 11.226 1.00 0.00 C ATOM 309 O SER A 25 7.165 12.921 10.166 1.00 0.00 O ATOM 310 CB SER A 25 9.898 12.625 10.536 1.00 0.00 C ATOM 311 OG SER A 25 11.019 11.781 10.304 1.00 0.00 O ATOM 0 H SER A 25 8.905 9.827 11.927 1.00 0.00 H new ATOM 0 HA SER A 25 9.159 12.093 12.503 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.415 12.876 9.591 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.221 13.563 10.988 1.00 0.00 H new ATOM 0 HG SER A 25 10.927 11.348 9.429 1.00 0.00 H new ATOM 317 N PRO A 26 6.687 12.267 12.241 1.00 0.00 N ATOM 318 CA PRO A 26 5.270 12.700 12.183 1.00 0.00 C ATOM 319 C PRO A 26 5.162 14.221 12.253 1.00 0.00 C ATOM 320 O PRO A 26 5.944 14.888 12.902 1.00 0.00 O ATOM 321 CB PRO A 26 4.652 12.063 13.422 1.00 0.00 C ATOM 322 CG PRO A 26 5.792 11.879 14.368 1.00 0.00 C ATOM 323 CD PRO A 26 7.032 11.678 13.535 1.00 0.00 C ATOM 0 HA PRO A 26 4.776 12.405 11.257 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.881 12.702 13.852 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.179 11.110 13.183 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.900 12.750 15.015 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.620 11.020 15.016 1.00 0.00 H new ATOM 0 HD2 PRO A 26 7.896 12.171 13.980 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.282 10.621 13.439 1.00 0.00 H new ATOM 331 N VAL A 27 4.182 14.766 11.598 1.00 0.00 N ATOM 332 CA VAL A 27 3.986 16.243 11.623 1.00 0.00 C ATOM 333 C VAL A 27 2.653 16.563 12.300 1.00 0.00 C ATOM 334 O VAL A 27 1.598 16.256 11.784 1.00 0.00 O ATOM 335 CB VAL A 27 3.962 16.667 10.155 1.00 0.00 C ATOM 336 CG1 VAL A 27 3.856 18.190 10.065 1.00 0.00 C ATOM 337 CG2 VAL A 27 5.252 16.205 9.473 1.00 0.00 C ATOM 0 H VAL A 27 3.501 14.250 11.041 1.00 0.00 H new ATOM 0 HA VAL A 27 4.768 16.764 12.176 1.00 0.00 H new ATOM 0 HB VAL A 27 3.104 16.214 9.659 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.839 18.492 9.018 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.939 18.520 10.553 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.714 18.644 10.560 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.238 16.506 8.426 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.109 16.660 9.970 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.329 15.120 9.538 1.00 0.00 H new ATOM 347 N ASN A 28 2.689 17.159 13.460 1.00 0.00 N ATOM 348 CA ASN A 28 1.416 17.473 14.168 1.00 0.00 C ATOM 349 C ASN A 28 0.585 16.194 14.316 1.00 0.00 C ATOM 350 O ASN A 28 -0.612 16.234 14.507 1.00 0.00 O ATOM 351 CB ASN A 28 0.701 18.487 13.272 1.00 0.00 C ATOM 352 CG ASN A 28 -0.427 19.161 14.055 1.00 0.00 C ATOM 353 OD1 ASN A 28 -0.343 20.328 14.381 1.00 0.00 O ATOM 354 ND2 ASN A 28 -1.487 18.469 14.374 1.00 0.00 N ATOM 0 H ASN A 28 3.540 17.441 13.946 1.00 0.00 H new ATOM 0 HA ASN A 28 1.577 17.871 15.170 1.00 0.00 H new ATOM 0 HB2 ASN A 28 1.409 19.236 12.917 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.297 17.988 12.391 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -2.245 18.908 14.897 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.558 17.489 14.100 1.00 0.00 H new ATOM 361 N GLY A 29 1.217 15.056 14.220 1.00 0.00 N ATOM 362 CA GLY A 29 0.467 13.774 14.348 1.00 0.00 C ATOM 363 C GLY A 29 0.104 13.262 12.953 1.00 0.00 C ATOM 364 O GLY A 29 -0.921 12.643 12.754 1.00 0.00 O ATOM 0 H GLY A 29 2.219 14.959 14.059 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.073 13.035 14.873 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.436 13.925 14.940 1.00 0.00 H new ATOM 368 N PHE A 30 0.941 13.520 11.987 1.00 0.00 N ATOM 369 CA PHE A 30 0.649 13.056 10.602 1.00 0.00 C ATOM 370 C PHE A 30 1.938 12.696 9.873 1.00 0.00 C ATOM 371 O PHE A 30 3.011 13.149 10.217 1.00 0.00 O ATOM 372 CB PHE A 30 -0.019 14.245 9.913 1.00 0.00 C ATOM 373 CG PHE A 30 -1.365 14.482 10.538 1.00 0.00 C ATOM 374 CD1 PHE A 30 -2.460 13.717 10.136 1.00 0.00 C ATOM 375 CD2 PHE A 30 -1.514 15.462 11.523 1.00 0.00 C ATOM 376 CE1 PHE A 30 -3.714 13.932 10.720 1.00 0.00 C ATOM 377 CE2 PHE A 30 -2.764 15.678 12.109 1.00 0.00 C ATOM 378 CZ PHE A 30 -3.867 14.914 11.707 1.00 0.00 C ATOM 0 H PHE A 30 1.816 14.033 12.097 1.00 0.00 H new ATOM 0 HA PHE A 30 0.019 12.167 10.601 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.603 15.135 10.011 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.129 14.049 8.846 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.341 12.960 9.375 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.664 16.052 11.831 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.563 13.341 10.410 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.880 16.434 12.872 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.834 15.082 12.157 1.00 0.00 H new ATOM 388 N LEU A 31 1.831 11.902 8.850 1.00 0.00 N ATOM 389 CA LEU A 31 3.040 11.528 8.068 1.00 0.00 C ATOM 390 C LEU A 31 2.715 11.592 6.586 1.00 0.00 C ATOM 391 O LEU A 31 1.745 11.025 6.133 1.00 0.00 O ATOM 392 CB LEU A 31 3.385 10.101 8.471 1.00 0.00 C ATOM 393 CG LEU A 31 4.035 10.108 9.852 1.00 0.00 C ATOM 394 CD1 LEU A 31 3.825 8.753 10.527 1.00 0.00 C ATOM 395 CD2 LEU A 31 5.533 10.378 9.704 1.00 0.00 C ATOM 0 H LEU A 31 0.957 11.494 8.519 1.00 0.00 H new ATOM 0 HA LEU A 31 3.876 12.200 8.262 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.484 9.487 8.484 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.062 9.659 7.740 1.00 0.00 H new ATOM 0 HG LEU A 31 3.581 10.888 10.463 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.290 8.762 11.513 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.757 8.560 10.631 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.277 7.970 9.919 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.001 10.384 10.689 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.985 9.597 9.092 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.683 11.346 9.226 1.00 0.00 H new ATOM 407 N SER A 32 3.515 12.276 5.832 1.00 0.00 N ATOM 408 CA SER A 32 3.244 12.384 4.373 1.00 0.00 C ATOM 409 C SER A 32 3.591 11.075 3.673 1.00 0.00 C ATOM 410 O SER A 32 4.604 10.462 3.948 1.00 0.00 O ATOM 411 CB SER A 32 4.143 13.513 3.877 1.00 0.00 C ATOM 412 OG SER A 32 4.369 14.438 4.933 1.00 0.00 O ATOM 0 H SER A 32 4.347 12.767 6.158 1.00 0.00 H new ATOM 0 HA SER A 32 2.193 12.585 4.166 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.092 13.108 3.524 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.677 14.018 3.031 1.00 0.00 H new ATOM 0 HG SER A 32 4.948 15.162 4.615 1.00 0.00 H new ATOM 418 N GLY A 33 2.758 10.644 2.770 1.00 0.00 N ATOM 419 CA GLY A 33 3.037 9.373 2.044 1.00 0.00 C ATOM 420 C GLY A 33 4.519 9.317 1.668 1.00 0.00 C ATOM 421 O GLY A 33 5.119 8.263 1.626 1.00 0.00 O ATOM 0 H GLY A 33 1.895 11.116 2.502 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.777 8.519 2.670 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.420 9.311 1.147 1.00 0.00 H new ATOM 425 N ASP A 34 5.115 10.446 1.402 1.00 0.00 N ATOM 426 CA ASP A 34 6.561 10.457 1.032 1.00 0.00 C ATOM 427 C ASP A 34 7.380 9.719 2.095 1.00 0.00 C ATOM 428 O ASP A 34 8.453 9.214 1.827 1.00 0.00 O ATOM 429 CB ASP A 34 6.946 11.935 0.983 1.00 0.00 C ATOM 430 CG ASP A 34 6.179 12.621 -0.149 1.00 0.00 C ATOM 431 OD1 ASP A 34 6.160 12.075 -1.240 1.00 0.00 O ATOM 432 OD2 ASP A 34 5.623 13.679 0.094 1.00 0.00 O ATOM 0 H ASP A 34 4.665 11.361 1.424 1.00 0.00 H new ATOM 0 HA ASP A 34 6.751 9.958 0.082 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.717 12.414 1.935 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.020 12.038 0.825 1.00 0.00 H new ATOM 437 N LYS A 35 6.876 9.648 3.296 1.00 0.00 N ATOM 438 CA LYS A 35 7.613 8.938 4.385 1.00 0.00 C ATOM 439 C LYS A 35 6.970 7.582 4.617 1.00 0.00 C ATOM 440 O LYS A 35 7.630 6.571 4.754 1.00 0.00 O ATOM 441 CB LYS A 35 7.455 9.809 5.633 1.00 0.00 C ATOM 442 CG LYS A 35 7.357 11.280 5.239 1.00 0.00 C ATOM 443 CD LYS A 35 7.580 12.144 6.479 1.00 0.00 C ATOM 444 CE LYS A 35 6.934 13.516 6.284 1.00 0.00 C ATOM 445 NZ LYS A 35 7.889 14.277 5.431 1.00 0.00 N ATOM 0 H LYS A 35 5.982 10.052 3.573 1.00 0.00 H new ATOM 0 HA LYS A 35 8.663 8.782 4.138 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.562 9.512 6.182 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.304 9.659 6.300 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.100 11.516 4.477 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.379 11.489 4.806 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.155 11.654 7.355 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.648 12.259 6.665 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.960 13.428 5.803 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.774 14.016 7.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.529 15.241 5.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.815 14.322 5.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.990 13.800 4.512 1.00 0.00 H new ATOM 459 N VAL A 36 5.675 7.564 4.664 1.00 0.00 N ATOM 460 CA VAL A 36 4.949 6.289 4.885 1.00 0.00 C ATOM 461 C VAL A 36 4.929 5.456 3.603 1.00 0.00 C ATOM 462 O VAL A 36 5.228 4.279 3.614 1.00 0.00 O ATOM 463 CB VAL A 36 3.532 6.712 5.246 1.00 0.00 C ATOM 464 CG1 VAL A 36 2.713 5.479 5.617 1.00 0.00 C ATOM 465 CG2 VAL A 36 3.572 7.683 6.429 1.00 0.00 C ATOM 0 H VAL A 36 5.080 8.386 4.558 1.00 0.00 H new ATOM 0 HA VAL A 36 5.417 5.679 5.658 1.00 0.00 H new ATOM 0 HB VAL A 36 3.071 7.208 4.392 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.698 5.781 5.876 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.683 4.794 4.770 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.172 4.981 6.471 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.557 7.985 6.686 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.033 7.193 7.286 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.155 8.563 6.158 1.00 0.00 H new ATOM 475 N LYS A 37 4.564 6.053 2.501 1.00 0.00 N ATOM 476 CA LYS A 37 4.508 5.276 1.229 1.00 0.00 C ATOM 477 C LYS A 37 5.736 4.368 1.091 1.00 0.00 C ATOM 478 O LYS A 37 5.593 3.189 0.836 1.00 0.00 O ATOM 479 CB LYS A 37 4.462 6.305 0.098 1.00 0.00 C ATOM 480 CG LYS A 37 4.325 5.576 -1.241 1.00 0.00 C ATOM 481 CD LYS A 37 4.236 6.598 -2.378 1.00 0.00 C ATOM 482 CE LYS A 37 5.455 6.459 -3.292 1.00 0.00 C ATOM 483 NZ LYS A 37 5.236 7.445 -4.389 1.00 0.00 N ATOM 0 H LYS A 37 4.304 7.036 2.426 1.00 0.00 H new ATOM 0 HA LYS A 37 3.634 4.625 1.204 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.623 6.985 0.243 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.368 6.911 0.105 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.180 4.918 -1.397 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.435 4.947 -1.234 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.321 6.442 -2.950 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.189 7.608 -1.970 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.378 6.670 -2.752 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.539 5.446 -3.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.034 7.406 -5.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.354 7.216 -4.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.167 8.402 -3.987 1.00 0.00 H new ATOM 497 N PRO A 38 6.909 4.927 1.273 1.00 0.00 N ATOM 498 CA PRO A 38 8.140 4.108 1.168 1.00 0.00 C ATOM 499 C PRO A 38 8.172 3.104 2.318 1.00 0.00 C ATOM 500 O PRO A 38 8.617 1.986 2.171 1.00 0.00 O ATOM 501 CB PRO A 38 9.269 5.133 1.276 1.00 0.00 C ATOM 502 CG PRO A 38 8.662 6.292 1.996 1.00 0.00 C ATOM 503 CD PRO A 38 7.211 6.331 1.594 1.00 0.00 C ATOM 0 HA PRO A 38 8.213 3.527 0.249 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.120 4.728 1.824 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.634 5.426 0.291 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.763 6.175 3.075 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.164 7.222 1.728 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.580 6.703 2.401 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.049 6.983 0.736 1.00 0.00 H new ATOM 511 N VAL A 39 7.671 3.500 3.452 1.00 0.00 N ATOM 512 CA VAL A 39 7.627 2.587 4.627 1.00 0.00 C ATOM 513 C VAL A 39 6.690 1.417 4.317 1.00 0.00 C ATOM 514 O VAL A 39 6.804 0.347 4.879 1.00 0.00 O ATOM 515 CB VAL A 39 7.086 3.463 5.765 1.00 0.00 C ATOM 516 CG1 VAL A 39 6.335 2.612 6.795 1.00 0.00 C ATOM 517 CG2 VAL A 39 8.254 4.173 6.452 1.00 0.00 C ATOM 0 H VAL A 39 7.285 4.429 3.618 1.00 0.00 H new ATOM 0 HA VAL A 39 8.593 2.153 4.886 1.00 0.00 H new ATOM 0 HB VAL A 39 6.395 4.194 5.346 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.960 3.253 7.593 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.498 2.109 6.311 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.012 1.868 7.215 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.875 4.797 7.262 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.943 3.432 6.857 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.777 4.797 5.728 1.00 0.00 H new ATOM 527 N LEU A 40 5.773 1.614 3.410 1.00 0.00 N ATOM 528 CA LEU A 40 4.843 0.513 3.045 1.00 0.00 C ATOM 529 C LEU A 40 5.486 -0.349 1.963 1.00 0.00 C ATOM 530 O LEU A 40 5.069 -1.461 1.707 1.00 0.00 O ATOM 531 CB LEU A 40 3.589 1.208 2.519 1.00 0.00 C ATOM 532 CG LEU A 40 3.003 2.099 3.616 1.00 0.00 C ATOM 533 CD1 LEU A 40 1.569 2.475 3.249 1.00 0.00 C ATOM 534 CD2 LEU A 40 3.012 1.346 4.950 1.00 0.00 C ATOM 0 H LEU A 40 5.629 2.490 2.907 1.00 0.00 H new ATOM 0 HA LEU A 40 4.608 -0.142 3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.833 1.806 1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.854 0.467 2.206 1.00 0.00 H new ATOM 0 HG LEU A 40 3.604 3.003 3.711 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.148 3.110 4.029 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.565 3.013 2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.968 1.570 3.155 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.594 1.983 5.730 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.412 0.440 4.861 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.036 1.079 5.210 1.00 0.00 H new ATOM 546 N LEU A 41 6.520 0.151 1.345 1.00 0.00 N ATOM 547 CA LEU A 41 7.218 -0.641 0.302 1.00 0.00 C ATOM 548 C LEU A 41 8.105 -1.672 0.992 1.00 0.00 C ATOM 549 O LEU A 41 8.393 -2.724 0.456 1.00 0.00 O ATOM 550 CB LEU A 41 8.065 0.366 -0.470 1.00 0.00 C ATOM 551 CG LEU A 41 7.183 1.119 -1.463 1.00 0.00 C ATOM 552 CD1 LEU A 41 7.913 2.373 -1.945 1.00 0.00 C ATOM 553 CD2 LEU A 41 6.883 0.211 -2.657 1.00 0.00 C ATOM 0 H LEU A 41 6.910 1.077 1.520 1.00 0.00 H new ATOM 0 HA LEU A 41 6.536 -1.171 -0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.534 1.067 0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.868 -0.148 -0.998 1.00 0.00 H new ATOM 0 HG LEU A 41 6.250 1.409 -0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.283 2.911 -2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.132 3.017 -1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.845 2.087 -2.432 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.253 0.743 -3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.817 -0.075 -3.141 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.365 -0.684 -2.312 1.00 0.00 H new ATOM 565 N ASN A 42 8.531 -1.374 2.190 1.00 0.00 N ATOM 566 CA ASN A 42 9.392 -2.338 2.926 1.00 0.00 C ATOM 567 C ASN A 42 8.617 -3.636 3.172 1.00 0.00 C ATOM 568 O ASN A 42 9.180 -4.650 3.534 1.00 0.00 O ATOM 569 CB ASN A 42 9.713 -1.651 4.254 1.00 0.00 C ATOM 570 CG ASN A 42 10.501 -0.370 3.990 1.00 0.00 C ATOM 571 OD1 ASN A 42 9.851 0.745 3.811 1.00 0.00 O flip ATOM 572 ND2 ASN A 42 11.716 -0.384 3.946 1.00 0.00 N flip ATOM 0 H ASN A 42 8.320 -0.509 2.687 1.00 0.00 H new ATOM 0 HA ASN A 42 10.296 -2.596 2.374 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.791 -1.420 4.788 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.291 -2.321 4.891 1.00 0.00 H new ATOM 0 HD21 ASN A 42 12.221 -1.259 4.087 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.230 0.479 3.769 1.00 0.00 H new ATOM 579 N SER A 43 7.327 -3.602 2.982 1.00 0.00 N ATOM 580 CA SER A 43 6.501 -4.823 3.206 1.00 0.00 C ATOM 581 C SER A 43 6.627 -5.776 2.015 1.00 0.00 C ATOM 582 O SER A 43 6.005 -6.817 1.972 1.00 0.00 O ATOM 583 CB SER A 43 5.066 -4.310 3.330 1.00 0.00 C ATOM 584 OG SER A 43 5.086 -2.903 3.532 1.00 0.00 O ATOM 0 H SER A 43 6.807 -2.778 2.680 1.00 0.00 H new ATOM 0 HA SER A 43 6.816 -5.378 4.090 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.502 -4.552 2.429 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.563 -4.801 4.163 1.00 0.00 H new ATOM 0 HG SER A 43 4.747 -2.453 2.730 1.00 0.00 H new ATOM 590 N LYS A 44 7.429 -5.426 1.047 1.00 0.00 N ATOM 591 CA LYS A 44 7.597 -6.311 -0.142 1.00 0.00 C ATOM 592 C LYS A 44 6.273 -6.442 -0.900 1.00 0.00 C ATOM 593 O LYS A 44 6.104 -7.317 -1.726 1.00 0.00 O ATOM 594 CB LYS A 44 8.028 -7.665 0.423 1.00 0.00 C ATOM 595 CG LYS A 44 9.504 -7.903 0.102 1.00 0.00 C ATOM 596 CD LYS A 44 10.207 -8.469 1.337 1.00 0.00 C ATOM 597 CE LYS A 44 10.106 -9.997 1.325 1.00 0.00 C ATOM 598 NZ LYS A 44 11.208 -10.463 2.212 1.00 0.00 N ATOM 0 H LYS A 44 7.976 -4.565 1.027 1.00 0.00 H new ATOM 0 HA LYS A 44 8.327 -5.914 -0.847 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.871 -7.688 1.501 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.418 -8.461 -0.005 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.599 -8.596 -0.734 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.976 -6.969 -0.203 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.253 -8.163 1.346 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.751 -8.071 2.243 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.136 -10.331 1.692 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.218 -10.392 0.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.204 -11.502 2.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.120 -10.136 1.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.071 -10.077 3.168 1.00 0.00 H new ATOM 612 N LEU A 45 5.334 -5.578 -0.631 1.00 0.00 N ATOM 613 CA LEU A 45 4.026 -5.653 -1.343 1.00 0.00 C ATOM 614 C LEU A 45 4.036 -4.713 -2.554 1.00 0.00 C ATOM 615 O LEU A 45 4.867 -3.831 -2.646 1.00 0.00 O ATOM 616 CB LEU A 45 2.985 -5.208 -0.315 1.00 0.00 C ATOM 617 CG LEU A 45 2.564 -6.406 0.538 1.00 0.00 C ATOM 618 CD1 LEU A 45 1.470 -5.972 1.516 1.00 0.00 C ATOM 619 CD2 LEU A 45 2.023 -7.517 -0.368 1.00 0.00 C ATOM 0 H LEU A 45 5.415 -4.823 0.050 1.00 0.00 H new ATOM 0 HA LEU A 45 3.813 -6.653 -1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.397 -4.424 0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.117 -4.785 -0.821 1.00 0.00 H new ATOM 0 HG LEU A 45 3.426 -6.777 1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.168 -6.824 2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.852 -5.181 2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.610 -5.601 0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.724 -8.370 0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.161 -7.147 -0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.799 -7.826 -1.068 1.00 0.00 H new ATOM 631 N PRO A 46 3.113 -4.942 -3.447 1.00 0.00 N ATOM 632 CA PRO A 46 3.018 -4.113 -4.672 1.00 0.00 C ATOM 633 C PRO A 46 2.447 -2.727 -4.353 1.00 0.00 C ATOM 634 O PRO A 46 1.885 -2.498 -3.301 1.00 0.00 O ATOM 635 CB PRO A 46 2.065 -4.904 -5.563 1.00 0.00 C ATOM 636 CG PRO A 46 1.244 -5.730 -4.627 1.00 0.00 C ATOM 637 CD PRO A 46 2.083 -5.983 -3.401 1.00 0.00 C ATOM 0 HA PRO A 46 3.986 -3.933 -5.140 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.436 -4.239 -6.155 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.613 -5.533 -6.265 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.323 -5.210 -4.362 1.00 0.00 H new ATOM 0 HG3 PRO A 46 0.955 -6.671 -5.096 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.488 -5.914 -2.490 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.524 -6.980 -3.419 1.00 0.00 H new ATOM 645 N VAL A 47 2.590 -1.804 -5.265 1.00 0.00 N ATOM 646 CA VAL A 47 2.063 -0.429 -5.038 1.00 0.00 C ATOM 647 C VAL A 47 0.535 -0.469 -4.942 1.00 0.00 C ATOM 648 O VAL A 47 -0.098 0.501 -4.578 1.00 0.00 O ATOM 649 CB VAL A 47 2.518 0.373 -6.262 1.00 0.00 C ATOM 650 CG1 VAL A 47 1.589 1.571 -6.479 1.00 0.00 C ATOM 651 CG2 VAL A 47 3.945 0.877 -6.031 1.00 0.00 C ATOM 0 H VAL A 47 3.052 -1.945 -6.163 1.00 0.00 H new ATOM 0 HA VAL A 47 2.425 0.015 -4.111 1.00 0.00 H new ATOM 0 HB VAL A 47 2.487 -0.268 -7.143 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.920 2.135 -7.351 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.571 1.217 -6.641 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.614 2.215 -5.600 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.274 1.448 -6.899 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.967 1.515 -5.147 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.611 0.027 -5.882 1.00 0.00 H new ATOM 661 N ASP A 48 -0.060 -1.590 -5.244 1.00 0.00 N ATOM 662 CA ASP A 48 -1.534 -1.684 -5.142 1.00 0.00 C ATOM 663 C ASP A 48 -1.894 -1.714 -3.670 1.00 0.00 C ATOM 664 O ASP A 48 -2.820 -1.068 -3.224 1.00 0.00 O ATOM 665 CB ASP A 48 -1.899 -2.999 -5.812 1.00 0.00 C ATOM 666 CG ASP A 48 -2.043 -2.786 -7.319 1.00 0.00 C ATOM 667 OD1 ASP A 48 -1.462 -1.837 -7.821 1.00 0.00 O ATOM 668 OD2 ASP A 48 -2.730 -3.575 -7.945 1.00 0.00 O ATOM 0 H ASP A 48 0.413 -2.439 -5.555 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.059 -0.851 -5.610 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.131 -3.746 -5.612 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.832 -3.383 -5.398 1.00 0.00 H new ATOM 673 N ILE A 49 -1.133 -2.441 -2.905 1.00 0.00 N ATOM 674 CA ILE A 49 -1.396 -2.488 -1.451 1.00 0.00 C ATOM 675 C ILE A 49 -1.170 -1.091 -0.894 1.00 0.00 C ATOM 676 O ILE A 49 -1.974 -0.554 -0.161 1.00 0.00 O ATOM 677 CB ILE A 49 -0.370 -3.457 -0.868 1.00 0.00 C ATOM 678 CG1 ILE A 49 -0.364 -4.759 -1.669 1.00 0.00 C ATOM 679 CG2 ILE A 49 -0.730 -3.758 0.587 1.00 0.00 C ATOM 680 CD1 ILE A 49 -1.794 -5.269 -1.834 1.00 0.00 C ATOM 0 H ILE A 49 -0.344 -3.002 -3.226 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.410 -2.809 -1.212 1.00 0.00 H new ATOM 0 HB ILE A 49 0.620 -3.003 -0.918 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.088 -4.593 -2.647 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.243 -5.508 -1.160 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.000 -4.450 1.007 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.725 -2.832 1.162 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.722 -4.207 0.631 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.786 -6.197 -2.405 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.231 -5.451 -0.852 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.388 -4.523 -2.362 1.00 0.00 H new ATOM 692 N LEU A 50 -0.070 -0.500 -1.266 1.00 0.00 N ATOM 693 CA LEU A 50 0.245 0.873 -0.795 1.00 0.00 C ATOM 694 C LEU A 50 -0.775 1.858 -1.365 1.00 0.00 C ATOM 695 O LEU A 50 -0.998 2.920 -0.820 1.00 0.00 O ATOM 696 CB LEU A 50 1.645 1.174 -1.344 1.00 0.00 C ATOM 697 CG LEU A 50 2.573 -0.033 -1.152 1.00 0.00 C ATOM 698 CD1 LEU A 50 4.029 0.429 -1.241 1.00 0.00 C ATOM 699 CD2 LEU A 50 2.332 -0.671 0.217 1.00 0.00 C ATOM 0 H LEU A 50 0.629 -0.915 -1.882 1.00 0.00 H new ATOM 0 HA LEU A 50 0.210 0.960 0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.580 1.424 -2.403 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.061 2.044 -0.836 1.00 0.00 H new ATOM 0 HG LEU A 50 2.366 -0.767 -1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.691 -0.426 -1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.210 0.876 -2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.225 1.167 -0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.996 -1.526 0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.532 0.061 1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.296 -1.003 0.286 1.00 0.00 H new ATOM 711 N GLY A 51 -1.405 1.510 -2.453 1.00 0.00 N ATOM 712 CA GLY A 51 -2.417 2.428 -3.042 1.00 0.00 C ATOM 713 C GLY A 51 -3.756 2.166 -2.363 1.00 0.00 C ATOM 714 O GLY A 51 -4.571 3.049 -2.202 1.00 0.00 O ATOM 0 H GLY A 51 -1.263 0.634 -2.957 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.116 3.466 -2.900 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.498 2.264 -4.117 1.00 0.00 H new ATOM 718 N ARG A 52 -3.978 0.952 -1.950 1.00 0.00 N ATOM 719 CA ARG A 52 -5.254 0.616 -1.274 1.00 0.00 C ATOM 720 C ARG A 52 -5.098 0.787 0.225 1.00 0.00 C ATOM 721 O ARG A 52 -5.845 1.502 0.862 1.00 0.00 O ATOM 722 CB ARG A 52 -5.500 -0.846 -1.621 1.00 0.00 C ATOM 723 CG ARG A 52 -6.991 -1.082 -1.847 1.00 0.00 C ATOM 724 CD ARG A 52 -7.209 -2.529 -2.287 1.00 0.00 C ATOM 725 NE ARG A 52 -6.711 -2.579 -3.689 1.00 0.00 N ATOM 726 CZ ARG A 52 -6.414 -3.726 -4.237 1.00 0.00 C ATOM 727 NH1 ARG A 52 -7.201 -4.753 -4.068 1.00 0.00 N ATOM 728 NH2 ARG A 52 -5.329 -3.847 -4.952 1.00 0.00 N ATOM 0 H ARG A 52 -3.325 0.175 -2.053 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.080 1.255 -1.587 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.940 -1.115 -2.517 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.140 -1.486 -0.815 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.546 -0.880 -0.931 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.369 -0.397 -2.606 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.663 -3.223 -1.648 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.262 -2.805 -2.231 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.602 -1.716 -4.222 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.048 -4.660 -3.508 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.969 -5.649 -4.496 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.712 -3.045 -5.083 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.098 -4.744 -5.380 1.00 0.00 H new ATOM 742 N VAL A 53 -4.129 0.139 0.801 1.00 0.00 N ATOM 743 CA VAL A 53 -3.939 0.284 2.258 1.00 0.00 C ATOM 744 C VAL A 53 -3.931 1.766 2.612 1.00 0.00 C ATOM 745 O VAL A 53 -4.531 2.180 3.577 1.00 0.00 O ATOM 746 CB VAL A 53 -2.589 -0.358 2.571 1.00 0.00 C ATOM 747 CG1 VAL A 53 -2.131 0.074 3.964 1.00 0.00 C ATOM 748 CG2 VAL A 53 -2.740 -1.881 2.536 1.00 0.00 C ATOM 0 H VAL A 53 -3.469 -0.478 0.328 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.734 -0.191 2.833 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.851 -0.043 1.833 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.168 -0.384 4.188 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.033 1.159 3.995 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.865 -0.245 4.704 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.780 -2.347 2.759 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.475 -2.191 3.279 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.073 -2.191 1.545 1.00 0.00 H new ATOM 758 N TRP A 54 -3.259 2.573 1.829 1.00 0.00 N ATOM 759 CA TRP A 54 -3.220 4.031 2.132 1.00 0.00 C ATOM 760 C TRP A 54 -4.621 4.640 2.081 1.00 0.00 C ATOM 761 O TRP A 54 -5.086 5.213 3.044 1.00 0.00 O ATOM 762 CB TRP A 54 -2.339 4.674 1.066 1.00 0.00 C ATOM 763 CG TRP A 54 -2.428 6.155 1.237 1.00 0.00 C ATOM 764 CD1 TRP A 54 -3.452 6.920 0.800 1.00 0.00 C ATOM 765 CD2 TRP A 54 -1.499 7.055 1.905 1.00 0.00 C ATOM 766 NE1 TRP A 54 -3.213 8.234 1.158 1.00 0.00 N ATOM 767 CE2 TRP A 54 -2.017 8.369 1.837 1.00 0.00 C ATOM 768 CE3 TRP A 54 -0.267 6.859 2.557 1.00 0.00 C ATOM 769 CZ2 TRP A 54 -1.336 9.453 2.395 1.00 0.00 C ATOM 770 CZ3 TRP A 54 0.419 7.948 3.119 1.00 0.00 C ATOM 771 CH2 TRP A 54 -0.114 9.242 3.039 1.00 0.00 C ATOM 0 H TRP A 54 -2.740 2.285 0.999 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.829 4.201 3.135 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.307 4.338 1.169 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.671 4.383 0.069 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.316 6.563 0.259 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.842 9.009 0.947 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.153 5.866 2.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.751 10.448 2.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.364 7.787 3.616 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.419 10.074 3.474 1.00 0.00 H new ATOM 782 N GLU A 55 -5.298 4.538 0.972 1.00 0.00 N ATOM 783 CA GLU A 55 -6.664 5.140 0.902 1.00 0.00 C ATOM 784 C GLU A 55 -7.497 4.656 2.082 1.00 0.00 C ATOM 785 O GLU A 55 -8.291 5.385 2.644 1.00 0.00 O ATOM 786 CB GLU A 55 -7.272 4.646 -0.410 1.00 0.00 C ATOM 787 CG GLU A 55 -6.567 5.309 -1.588 1.00 0.00 C ATOM 788 CD GLU A 55 -7.518 5.370 -2.783 1.00 0.00 C ATOM 789 OE1 GLU A 55 -8.544 6.020 -2.666 1.00 0.00 O ATOM 790 OE2 GLU A 55 -7.206 4.764 -3.796 1.00 0.00 O ATOM 0 H GLU A 55 -4.975 4.073 0.123 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.632 6.229 0.941 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.177 3.562 -0.480 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.337 4.875 -0.437 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.245 6.314 -1.314 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.670 4.748 -1.852 1.00 0.00 H new ATOM 797 N LEU A 56 -7.316 3.429 2.457 1.00 0.00 N ATOM 798 CA LEU A 56 -8.083 2.871 3.597 1.00 0.00 C ATOM 799 C LEU A 56 -7.309 3.108 4.899 1.00 0.00 C ATOM 800 O LEU A 56 -7.815 2.904 5.985 1.00 0.00 O ATOM 801 CB LEU A 56 -8.218 1.388 3.256 1.00 0.00 C ATOM 802 CG LEU A 56 -8.762 1.268 1.826 1.00 0.00 C ATOM 803 CD1 LEU A 56 -8.561 -0.153 1.311 1.00 0.00 C ATOM 804 CD2 LEU A 56 -10.255 1.615 1.812 1.00 0.00 C ATOM 0 H LEU A 56 -6.662 2.780 2.019 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.060 3.331 3.746 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.252 0.891 3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.890 0.896 3.960 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.223 1.961 1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.950 -0.230 0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.498 -0.393 1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.092 -0.853 1.957 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.639 1.529 0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.795 0.927 2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.395 2.636 2.167 1.00 0.00 H new ATOM 816 N SER A 57 -6.091 3.573 4.790 1.00 0.00 N ATOM 817 CA SER A 57 -5.279 3.870 6.005 1.00 0.00 C ATOM 818 C SER A 57 -5.323 5.374 6.275 1.00 0.00 C ATOM 819 O SER A 57 -5.245 5.818 7.404 1.00 0.00 O ATOM 820 CB SER A 57 -3.858 3.440 5.667 1.00 0.00 C ATOM 821 OG SER A 57 -2.954 4.090 6.548 1.00 0.00 O ATOM 0 H SER A 57 -5.622 3.761 3.904 1.00 0.00 H new ATOM 0 HA SER A 57 -5.649 3.353 6.890 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.761 2.358 5.759 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.624 3.694 4.633 1.00 0.00 H new ATOM 0 HG SER A 57 -3.312 4.066 7.460 1.00 0.00 H new ATOM 827 N ASP A 58 -5.453 6.162 5.238 1.00 0.00 N ATOM 828 CA ASP A 58 -5.511 7.639 5.426 1.00 0.00 C ATOM 829 C ASP A 58 -6.942 8.059 5.747 1.00 0.00 C ATOM 830 O ASP A 58 -7.598 8.707 4.959 1.00 0.00 O ATOM 831 CB ASP A 58 -5.062 8.234 4.091 1.00 0.00 C ATOM 832 CG ASP A 58 -4.471 9.625 4.329 1.00 0.00 C ATOM 833 OD1 ASP A 58 -4.704 10.170 5.395 1.00 0.00 O ATOM 834 OD2 ASP A 58 -3.795 10.121 3.442 1.00 0.00 O ATOM 0 H ASP A 58 -5.521 5.845 4.271 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.881 7.979 6.247 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.320 7.587 3.623 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.907 8.298 3.406 1.00 0.00 H new ATOM 839 N ILE A 59 -7.423 7.684 6.900 1.00 0.00 N ATOM 840 CA ILE A 59 -8.814 8.045 7.293 1.00 0.00 C ATOM 841 C ILE A 59 -9.160 9.454 6.804 1.00 0.00 C ATOM 842 O ILE A 59 -10.303 9.764 6.531 1.00 0.00 O ATOM 843 CB ILE A 59 -8.809 8.013 8.821 1.00 0.00 C ATOM 844 CG1 ILE A 59 -8.498 6.596 9.324 1.00 0.00 C ATOM 845 CG2 ILE A 59 -10.177 8.452 9.335 1.00 0.00 C ATOM 846 CD1 ILE A 59 -9.471 5.589 8.702 1.00 0.00 C ATOM 0 H ILE A 59 -6.908 7.139 7.592 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.549 7.365 6.862 1.00 0.00 H new ATOM 0 HB ILE A 59 -8.040 8.691 9.191 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.473 6.328 9.068 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.574 6.563 10.411 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -10.180 8.431 10.425 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -10.387 9.465 8.991 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -10.942 7.774 8.957 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -9.241 4.588 9.066 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -10.492 5.850 8.980 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.374 5.612 7.617 1.00 0.00 H new ATOM 858 N ASP A 60 -8.184 10.311 6.705 1.00 0.00 N ATOM 859 CA ASP A 60 -8.463 11.705 6.248 1.00 0.00 C ATOM 860 C ASP A 60 -8.336 11.828 4.725 1.00 0.00 C ATOM 861 O ASP A 60 -8.930 12.696 4.118 1.00 0.00 O ATOM 862 CB ASP A 60 -7.407 12.568 6.938 1.00 0.00 C ATOM 863 CG ASP A 60 -7.572 12.465 8.454 1.00 0.00 C ATOM 864 OD1 ASP A 60 -8.652 12.104 8.889 1.00 0.00 O ATOM 865 OD2 ASP A 60 -6.615 12.752 9.156 1.00 0.00 O ATOM 0 H ASP A 60 -7.207 10.110 6.919 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.479 12.010 6.497 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.409 12.241 6.648 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.507 13.606 6.621 1.00 0.00 H new ATOM 870 N HIS A 61 -7.561 10.984 4.100 1.00 0.00 N ATOM 871 CA HIS A 61 -7.400 11.084 2.618 1.00 0.00 C ATOM 872 C HIS A 61 -6.832 12.461 2.273 1.00 0.00 C ATOM 873 O HIS A 61 -7.050 12.989 1.201 1.00 0.00 O ATOM 874 CB HIS A 61 -8.807 10.928 2.007 1.00 0.00 C ATOM 875 CG HIS A 61 -9.726 10.179 2.939 1.00 0.00 C ATOM 876 ND1 HIS A 61 -9.663 8.918 3.476 1.00 0.00 N flip ATOM 877 CD2 HIS A 61 -10.894 10.741 3.431 1.00 0.00 C flip ATOM 878 CE1 HIS A 61 -10.774 8.696 4.287 1.00 0.00 C flip ATOM 879 NE2 HIS A 61 -11.481 9.827 4.225 1.00 0.00 N flip ATOM 0 H HIS A 61 -7.034 10.233 4.547 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.724 10.321 2.232 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -9.225 11.912 1.793 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -8.737 10.398 1.057 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -8.916 8.245 3.307 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -11.265 11.732 3.216 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -11.012 7.802 4.845 1.00 0.00 H new ATOM 887 N ASP A 62 -6.118 13.051 3.191 1.00 0.00 N ATOM 888 CA ASP A 62 -5.545 14.403 2.946 1.00 0.00 C ATOM 889 C ASP A 62 -4.143 14.294 2.339 1.00 0.00 C ATOM 890 O ASP A 62 -3.674 15.197 1.672 1.00 0.00 O ATOM 891 CB ASP A 62 -5.495 15.050 4.332 1.00 0.00 C ATOM 892 CG ASP A 62 -4.313 14.486 5.124 1.00 0.00 C ATOM 893 OD1 ASP A 62 -4.343 13.306 5.434 1.00 0.00 O ATOM 894 OD2 ASP A 62 -3.398 15.242 5.405 1.00 0.00 O ATOM 0 H ASP A 62 -5.906 12.652 4.105 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.135 14.986 2.240 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.397 16.131 4.236 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.426 14.860 4.866 1.00 0.00 H new ATOM 899 N GLY A 63 -3.469 13.201 2.561 1.00 0.00 N ATOM 900 CA GLY A 63 -2.101 13.047 1.993 1.00 0.00 C ATOM 901 C GLY A 63 -1.130 12.594 3.087 1.00 0.00 C ATOM 902 O GLY A 63 0.057 12.477 2.862 1.00 0.00 O ATOM 0 H GLY A 63 -3.805 12.409 3.110 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.114 12.319 1.182 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.766 13.993 1.566 1.00 0.00 H new ATOM 906 N MET A 64 -1.619 12.333 4.268 1.00 0.00 N ATOM 907 CA MET A 64 -0.708 11.883 5.362 1.00 0.00 C ATOM 908 C MET A 64 -1.421 10.874 6.266 1.00 0.00 C ATOM 909 O MET A 64 -2.632 10.788 6.286 1.00 0.00 O ATOM 910 CB MET A 64 -0.339 13.133 6.176 1.00 0.00 C ATOM 911 CG MET A 64 -0.348 14.380 5.292 1.00 0.00 C ATOM 912 SD MET A 64 0.511 15.728 6.142 1.00 0.00 S ATOM 913 CE MET A 64 2.169 15.004 6.110 1.00 0.00 C ATOM 0 H MET A 64 -2.603 12.411 4.523 1.00 0.00 H new ATOM 0 HA MET A 64 0.178 11.400 4.951 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.045 13.259 6.997 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.648 13.004 6.621 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.138 14.168 4.340 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.374 14.672 5.068 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.914 15.800 6.111 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.309 14.375 6.989 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.285 14.400 5.210 1.00 0.00 H new ATOM 923 N LEU A 65 -0.674 10.115 7.020 1.00 0.00 N ATOM 924 CA LEU A 65 -1.300 9.113 7.933 1.00 0.00 C ATOM 925 C LEU A 65 -0.999 9.473 9.390 1.00 0.00 C ATOM 926 O LEU A 65 0.131 9.395 9.827 1.00 0.00 O ATOM 927 CB LEU A 65 -0.622 7.786 7.579 1.00 0.00 C ATOM 928 CG LEU A 65 -1.245 7.200 6.314 1.00 0.00 C ATOM 929 CD1 LEU A 65 -0.440 5.974 5.874 1.00 0.00 C ATOM 930 CD2 LEU A 65 -2.684 6.782 6.609 1.00 0.00 C ATOM 0 H LEU A 65 0.345 10.145 7.044 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.383 9.072 7.821 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.446 7.943 7.429 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.728 7.083 8.405 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.236 7.947 5.520 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.882 5.553 4.971 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.590 6.269 5.670 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.453 5.226 6.667 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.133 6.363 5.709 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.690 6.032 7.400 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.257 7.652 6.929 1.00 0.00 H new ATOM 942 N ASP A 66 -1.986 9.861 10.153 1.00 0.00 N ATOM 943 CA ASP A 66 -1.702 10.208 11.574 1.00 0.00 C ATOM 944 C ASP A 66 -1.502 8.932 12.395 1.00 0.00 C ATOM 945 O ASP A 66 -1.829 7.845 11.963 1.00 0.00 O ATOM 946 CB ASP A 66 -2.915 11.014 12.064 1.00 0.00 C ATOM 947 CG ASP A 66 -4.141 10.113 12.271 1.00 0.00 C ATOM 948 OD1 ASP A 66 -3.976 8.993 12.719 1.00 0.00 O ATOM 949 OD2 ASP A 66 -5.235 10.574 11.991 1.00 0.00 O ATOM 0 H ASP A 66 -2.959 9.951 9.860 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.788 10.792 11.680 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.667 11.514 13.000 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.153 11.793 11.340 1.00 0.00 H new ATOM 954 N ARG A 67 -0.959 9.060 13.569 1.00 0.00 N ATOM 955 CA ARG A 67 -0.720 7.860 14.426 1.00 0.00 C ATOM 956 C ARG A 67 -1.879 6.859 14.338 1.00 0.00 C ATOM 957 O ARG A 67 -1.671 5.663 14.309 1.00 0.00 O ATOM 958 CB ARG A 67 -0.591 8.398 15.855 1.00 0.00 C ATOM 959 CG ARG A 67 -1.522 9.600 16.057 1.00 0.00 C ATOM 960 CD ARG A 67 -1.969 9.666 17.519 1.00 0.00 C ATOM 961 NE ARG A 67 -0.747 10.046 18.277 1.00 0.00 N ATOM 962 CZ ARG A 67 -0.851 10.542 19.479 1.00 0.00 C ATOM 963 NH1 ARG A 67 -1.762 11.439 19.738 1.00 0.00 N ATOM 964 NH2 ARG A 67 -0.043 10.141 20.422 1.00 0.00 N ATOM 0 H ARG A 67 -0.667 9.947 13.978 1.00 0.00 H new ATOM 0 HA ARG A 67 0.171 7.322 14.103 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.839 7.613 16.570 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.441 8.692 16.049 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -1.008 10.521 15.782 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.391 9.513 15.405 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.763 10.400 17.656 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.360 8.706 17.856 1.00 0.00 H new ATOM 0 HE ARG A 67 0.173 9.919 17.856 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.393 11.753 19.001 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.843 11.827 20.678 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.670 9.440 20.219 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.124 10.529 21.362 1.00 0.00 H new ATOM 978 N ASP A 68 -3.093 7.329 14.311 1.00 0.00 N ATOM 979 CA ASP A 68 -4.250 6.385 14.244 1.00 0.00 C ATOM 980 C ASP A 68 -4.465 5.901 12.812 1.00 0.00 C ATOM 981 O ASP A 68 -4.813 4.760 12.578 1.00 0.00 O ATOM 982 CB ASP A 68 -5.454 7.193 14.728 1.00 0.00 C ATOM 983 CG ASP A 68 -6.288 6.339 15.685 1.00 0.00 C ATOM 984 OD1 ASP A 68 -5.812 5.283 16.072 1.00 0.00 O ATOM 985 OD2 ASP A 68 -7.388 6.752 16.011 1.00 0.00 O ATOM 0 H ASP A 68 -3.337 8.319 14.332 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.087 5.495 14.852 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.119 8.100 15.231 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.061 7.505 13.879 1.00 0.00 H new ATOM 990 N GLU A 69 -4.252 6.750 11.852 1.00 0.00 N ATOM 991 CA GLU A 69 -4.437 6.328 10.437 1.00 0.00 C ATOM 992 C GLU A 69 -3.252 5.473 10.011 1.00 0.00 C ATOM 993 O GLU A 69 -3.399 4.461 9.355 1.00 0.00 O ATOM 994 CB GLU A 69 -4.475 7.624 9.638 1.00 0.00 C ATOM 995 CG GLU A 69 -5.700 8.428 10.060 1.00 0.00 C ATOM 996 CD GLU A 69 -5.803 9.693 9.205 1.00 0.00 C ATOM 997 OE1 GLU A 69 -6.201 9.577 8.057 1.00 0.00 O ATOM 998 OE2 GLU A 69 -5.479 10.754 9.708 1.00 0.00 O ATOM 0 H GLU A 69 -3.958 7.718 11.983 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.341 5.738 10.286 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.567 8.201 9.812 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.515 7.408 8.570 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.601 7.825 9.945 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.627 8.694 11.114 1.00 0.00 H new ATOM 1005 N PHE A 70 -2.074 5.869 10.400 1.00 0.00 N ATOM 1006 CA PHE A 70 -0.878 5.074 10.042 1.00 0.00 C ATOM 1007 C PHE A 70 -1.007 3.691 10.667 1.00 0.00 C ATOM 1008 O PHE A 70 -0.457 2.728 10.183 1.00 0.00 O ATOM 1009 CB PHE A 70 0.303 5.834 10.643 1.00 0.00 C ATOM 1010 CG PHE A 70 1.589 5.250 10.119 1.00 0.00 C ATOM 1011 CD1 PHE A 70 2.132 4.108 10.718 1.00 0.00 C ATOM 1012 CD2 PHE A 70 2.235 5.844 9.030 1.00 0.00 C ATOM 1013 CE1 PHE A 70 3.320 3.560 10.226 1.00 0.00 C ATOM 1014 CE2 PHE A 70 3.423 5.297 8.539 1.00 0.00 C ATOM 1015 CZ PHE A 70 3.966 4.155 9.136 1.00 0.00 C ATOM 0 H PHE A 70 -1.892 6.709 10.950 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.755 4.944 8.967 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.239 6.891 10.386 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.277 5.768 11.731 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.634 3.650 11.560 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.815 6.726 8.569 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.739 2.678 10.687 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.922 5.756 7.698 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.884 3.732 8.756 1.00 0.00 H new ATOM 1025 N ALA A 71 -1.750 3.588 11.735 1.00 0.00 N ATOM 1026 CA ALA A 71 -1.931 2.263 12.392 1.00 0.00 C ATOM 1027 C ALA A 71 -2.712 1.335 11.468 1.00 0.00 C ATOM 1028 O ALA A 71 -2.318 0.217 11.196 1.00 0.00 O ATOM 1029 CB ALA A 71 -2.744 2.559 13.651 1.00 0.00 C ATOM 0 H ALA A 71 -2.239 4.364 12.181 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.983 1.776 12.621 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.922 1.632 14.195 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.192 3.252 14.286 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.699 3.005 13.371 1.00 0.00 H new ATOM 1035 N VAL A 72 -3.821 1.807 10.988 1.00 0.00 N ATOM 1036 CA VAL A 72 -4.662 0.991 10.074 1.00 0.00 C ATOM 1037 C VAL A 72 -3.839 0.516 8.874 1.00 0.00 C ATOM 1038 O VAL A 72 -4.162 -0.467 8.234 1.00 0.00 O ATOM 1039 CB VAL A 72 -5.755 1.958 9.626 1.00 0.00 C ATOM 1040 CG1 VAL A 72 -6.729 1.245 8.690 1.00 0.00 C ATOM 1041 CG2 VAL A 72 -6.507 2.476 10.857 1.00 0.00 C ATOM 0 H VAL A 72 -4.188 2.737 11.192 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.060 0.095 10.549 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.302 2.795 9.095 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.506 1.941 8.375 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.191 0.880 7.815 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.186 0.404 9.212 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.289 3.167 10.542 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.957 1.637 11.388 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.811 2.993 11.518 1.00 0.00 H new ATOM 1051 N ALA A 73 -2.785 1.214 8.553 1.00 0.00 N ATOM 1052 CA ALA A 73 -1.956 0.814 7.378 1.00 0.00 C ATOM 1053 C ALA A 73 -0.841 -0.162 7.773 1.00 0.00 C ATOM 1054 O ALA A 73 -0.192 -0.736 6.923 1.00 0.00 O ATOM 1055 CB ALA A 73 -1.356 2.121 6.872 1.00 0.00 C ATOM 0 H ALA A 73 -2.461 2.043 9.052 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.553 0.298 6.626 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.728 1.921 6.004 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.157 2.804 6.590 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.753 2.574 7.659 1.00 0.00 H new ATOM 1061 N MET A 74 -0.598 -0.357 9.039 1.00 0.00 N ATOM 1062 CA MET A 74 0.493 -1.299 9.431 1.00 0.00 C ATOM 1063 C MET A 74 -0.035 -2.728 9.464 1.00 0.00 C ATOM 1064 O MET A 74 0.556 -3.627 8.899 1.00 0.00 O ATOM 1065 CB MET A 74 0.960 -0.856 10.819 1.00 0.00 C ATOM 1066 CG MET A 74 1.242 0.660 10.864 1.00 0.00 C ATOM 1067 SD MET A 74 1.660 1.319 9.219 1.00 0.00 S ATOM 1068 CE MET A 74 3.076 0.250 8.879 1.00 0.00 C ATOM 0 H MET A 74 -1.097 0.086 9.810 1.00 0.00 H new ATOM 0 HA MET A 74 1.318 -1.280 8.719 1.00 0.00 H new ATOM 0 HB2 MET A 74 0.199 -1.108 11.557 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.862 -1.403 11.092 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.367 1.181 11.253 1.00 0.00 H new ATOM 0 HG3 MET A 74 2.063 0.857 11.554 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.911 0.854 8.525 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.366 -0.271 9.792 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.806 -0.479 8.115 1.00 0.00 H new ATOM 1078 N PHE A 75 -1.150 -2.948 10.090 1.00 0.00 N ATOM 1079 CA PHE A 75 -1.704 -4.324 10.109 1.00 0.00 C ATOM 1080 C PHE A 75 -2.246 -4.617 8.710 1.00 0.00 C ATOM 1081 O PHE A 75 -2.369 -5.752 8.295 1.00 0.00 O ATOM 1082 CB PHE A 75 -2.798 -4.314 11.189 1.00 0.00 C ATOM 1083 CG PHE A 75 -4.133 -3.946 10.589 1.00 0.00 C ATOM 1084 CD1 PHE A 75 -4.444 -2.605 10.353 1.00 0.00 C ATOM 1085 CD2 PHE A 75 -5.056 -4.948 10.270 1.00 0.00 C ATOM 1086 CE1 PHE A 75 -5.680 -2.263 9.799 1.00 0.00 C ATOM 1087 CE2 PHE A 75 -6.292 -4.607 9.714 1.00 0.00 C ATOM 1088 CZ PHE A 75 -6.606 -3.264 9.478 1.00 0.00 C ATOM 0 H PHE A 75 -1.698 -2.244 10.585 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.978 -5.102 10.345 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.862 -5.296 11.658 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.537 -3.603 11.972 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.730 -1.833 10.599 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.813 -5.984 10.453 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -5.922 -1.226 9.618 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.005 -5.380 9.467 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.561 -2.999 9.049 1.00 0.00 H new ATOM 1098 N LEU A 76 -2.530 -3.577 7.967 1.00 0.00 N ATOM 1099 CA LEU A 76 -3.019 -3.748 6.574 1.00 0.00 C ATOM 1100 C LEU A 76 -1.849 -4.179 5.690 1.00 0.00 C ATOM 1101 O LEU A 76 -2.005 -4.921 4.740 1.00 0.00 O ATOM 1102 CB LEU A 76 -3.526 -2.364 6.173 1.00 0.00 C ATOM 1103 CG LEU A 76 -5.028 -2.271 6.448 1.00 0.00 C ATOM 1104 CD1 LEU A 76 -5.545 -0.907 5.993 1.00 0.00 C ATOM 1105 CD2 LEU A 76 -5.756 -3.376 5.677 1.00 0.00 C ATOM 0 H LEU A 76 -2.441 -2.608 8.274 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.799 -4.503 6.475 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.995 -1.594 6.733 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.327 -2.184 5.116 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.211 -2.391 7.516 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.615 -0.840 6.189 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.026 -0.120 6.540 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.363 -0.787 4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.826 -3.311 5.872 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.574 -3.255 4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.387 -4.349 6.000 1.00 0.00 H new ATOM 1117 N VAL A 77 -0.671 -3.714 6.007 1.00 0.00 N ATOM 1118 CA VAL A 77 0.530 -4.083 5.207 1.00 0.00 C ATOM 1119 C VAL A 77 1.199 -5.325 5.789 1.00 0.00 C ATOM 1120 O VAL A 77 1.871 -6.055 5.092 1.00 0.00 O ATOM 1121 CB VAL A 77 1.452 -2.866 5.312 1.00 0.00 C ATOM 1122 CG1 VAL A 77 2.816 -3.191 4.700 1.00 0.00 C ATOM 1123 CG2 VAL A 77 0.826 -1.694 4.554 1.00 0.00 C ATOM 0 H VAL A 77 -0.489 -3.089 6.792 1.00 0.00 H new ATOM 0 HA VAL A 77 0.284 -4.323 4.173 1.00 0.00 H new ATOM 0 HB VAL A 77 1.583 -2.603 6.362 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.467 -2.320 4.778 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.264 -4.028 5.235 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.690 -3.456 3.650 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.479 -0.824 4.626 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.697 -1.966 3.506 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.145 -1.456 4.989 1.00 0.00 H new ATOM 1133 N TYR A 78 1.023 -5.574 7.057 1.00 0.00 N ATOM 1134 CA TYR A 78 1.654 -6.778 7.664 1.00 0.00 C ATOM 1135 C TYR A 78 0.736 -7.984 7.490 1.00 0.00 C ATOM 1136 O TYR A 78 1.182 -9.113 7.431 1.00 0.00 O ATOM 1137 CB TYR A 78 1.826 -6.443 9.141 1.00 0.00 C ATOM 1138 CG TYR A 78 3.291 -6.216 9.425 1.00 0.00 C ATOM 1139 CD1 TYR A 78 4.194 -7.281 9.331 1.00 0.00 C ATOM 1140 CD2 TYR A 78 3.745 -4.940 9.774 1.00 0.00 C ATOM 1141 CE1 TYR A 78 5.555 -7.069 9.587 1.00 0.00 C ATOM 1142 CE2 TYR A 78 5.104 -4.726 10.030 1.00 0.00 C ATOM 1143 CZ TYR A 78 6.010 -5.791 9.938 1.00 0.00 C ATOM 1144 OH TYR A 78 7.351 -5.582 10.191 1.00 0.00 O ATOM 0 H TYR A 78 0.473 -4.999 7.695 1.00 0.00 H new ATOM 0 HA TYR A 78 2.607 -7.027 7.197 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.251 -5.553 9.395 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.444 -7.256 9.759 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.842 -8.266 9.061 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.046 -4.119 9.846 1.00 0.00 H new ATOM 0 HE1 TYR A 78 6.253 -7.890 9.514 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.454 -3.740 10.298 1.00 0.00 H new ATOM 0 HH TYR A 78 7.498 -4.640 10.419 1.00 0.00 H new ATOM 1154 N CYS A 79 -0.541 -7.753 7.392 1.00 0.00 N ATOM 1155 CA CYS A 79 -1.482 -8.886 7.206 1.00 0.00 C ATOM 1156 C CYS A 79 -1.477 -9.295 5.736 1.00 0.00 C ATOM 1157 O CYS A 79 -1.862 -10.392 5.381 1.00 0.00 O ATOM 1158 CB CYS A 79 -2.853 -8.345 7.615 1.00 0.00 C ATOM 1159 SG CYS A 79 -2.931 -8.195 9.417 1.00 0.00 S ATOM 0 H CYS A 79 -0.972 -6.830 7.433 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.214 -9.763 7.796 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -3.026 -7.374 7.151 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.639 -9.012 7.261 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.679 -6.967 9.762 1.00 0.00 H new ATOM 1165 N ALA A 80 -1.018 -8.421 4.877 1.00 0.00 N ATOM 1166 CA ALA A 80 -0.965 -8.755 3.427 1.00 0.00 C ATOM 1167 C ALA A 80 0.292 -9.570 3.142 1.00 0.00 C ATOM 1168 O ALA A 80 0.488 -10.083 2.058 1.00 0.00 O ATOM 1169 CB ALA A 80 -0.911 -7.405 2.709 1.00 0.00 C ATOM 0 H ALA A 80 -0.678 -7.491 5.120 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.819 -9.348 3.098 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.870 -7.567 1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.801 -6.826 2.955 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.023 -6.859 3.028 1.00 0.00 H new ATOM 1175 N LEU A 81 1.146 -9.688 4.120 1.00 0.00 N ATOM 1176 CA LEU A 81 2.401 -10.462 3.935 1.00 0.00 C ATOM 1177 C LEU A 81 2.176 -11.918 4.315 1.00 0.00 C ATOM 1178 O LEU A 81 2.558 -12.827 3.605 1.00 0.00 O ATOM 1179 CB LEU A 81 3.400 -9.828 4.903 1.00 0.00 C ATOM 1180 CG LEU A 81 3.275 -8.308 4.866 1.00 0.00 C ATOM 1181 CD1 LEU A 81 4.499 -7.682 5.534 1.00 0.00 C ATOM 1182 CD2 LEU A 81 3.184 -7.836 3.413 1.00 0.00 C ATOM 0 H LEU A 81 1.026 -9.278 5.046 1.00 0.00 H new ATOM 0 HA LEU A 81 2.748 -10.440 2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.218 -10.191 5.915 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.415 -10.124 4.636 1.00 0.00 H new ATOM 0 HG LEU A 81 2.375 -8.004 5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.412 -6.596 5.509 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.560 -8.017 6.569 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.400 -7.986 5.001 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.095 -6.750 3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.082 -8.139 2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.310 -8.283 2.939 1.00 0.00 H new ATOM 1194 N GLU A 82 1.571 -12.143 5.444 1.00 0.00 N ATOM 1195 CA GLU A 82 1.336 -13.538 5.890 1.00 0.00 C ATOM 1196 C GLU A 82 0.161 -14.160 5.139 1.00 0.00 C ATOM 1197 O GLU A 82 0.208 -15.314 4.757 1.00 0.00 O ATOM 1198 CB GLU A 82 1.049 -13.448 7.392 1.00 0.00 C ATOM 1199 CG GLU A 82 -0.182 -12.574 7.641 1.00 0.00 C ATOM 1200 CD GLU A 82 -1.427 -13.457 7.715 1.00 0.00 C ATOM 1201 OE1 GLU A 82 -1.272 -14.651 7.916 1.00 0.00 O ATOM 1202 OE2 GLU A 82 -2.515 -12.926 7.570 1.00 0.00 O ATOM 0 H GLU A 82 1.229 -11.420 6.077 1.00 0.00 H new ATOM 0 HA GLU A 82 2.196 -14.176 5.687 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.885 -14.446 7.799 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.912 -13.030 7.911 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.063 -12.016 8.570 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.289 -11.842 6.841 1.00 0.00 H new ATOM 1260 N VAL A 86 -5.694 -6.856 1.497 1.00 0.00 N ATOM 1261 CA VAL A 86 -6.355 -5.586 1.903 1.00 0.00 C ATOM 1262 C VAL A 86 -7.662 -5.436 1.129 1.00 0.00 C ATOM 1263 O VAL A 86 -7.790 -5.948 0.034 1.00 0.00 O ATOM 1264 CB VAL A 86 -5.364 -4.483 1.527 1.00 0.00 C ATOM 1265 CG1 VAL A 86 -6.056 -3.118 1.595 1.00 0.00 C ATOM 1266 CG2 VAL A 86 -4.188 -4.506 2.506 1.00 0.00 C ATOM 0 HA VAL A 86 -6.599 -5.551 2.965 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.003 -4.652 0.513 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.346 -2.336 1.326 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.895 -3.100 0.900 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.420 -2.945 2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.479 -3.721 2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.554 -4.338 3.519 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.692 -5.475 2.456 1.00 0.00 H new ATOM 1276 N PRO A 87 -8.597 -4.746 1.717 1.00 0.00 N ATOM 1277 CA PRO A 87 -9.896 -4.545 1.066 1.00 0.00 C ATOM 1278 C PRO A 87 -9.828 -3.334 0.140 1.00 0.00 C ATOM 1279 O PRO A 87 -8.764 -2.846 -0.182 1.00 0.00 O ATOM 1280 CB PRO A 87 -10.842 -4.295 2.235 1.00 0.00 C ATOM 1281 CG PRO A 87 -9.983 -3.773 3.350 1.00 0.00 C ATOM 1282 CD PRO A 87 -8.541 -4.090 3.024 1.00 0.00 C ATOM 0 HA PRO A 87 -10.213 -5.385 0.448 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -11.614 -3.575 1.966 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -11.351 -5.213 2.530 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -10.119 -2.698 3.463 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -10.268 -4.232 4.297 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.934 -3.185 2.988 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.098 -4.742 3.777 1.00 0.00 H new ATOM 1290 N MET A 88 -10.952 -2.853 -0.293 1.00 0.00 N ATOM 1291 CA MET A 88 -10.949 -1.677 -1.206 1.00 0.00 C ATOM 1292 C MET A 88 -11.904 -0.602 -0.700 1.00 0.00 C ATOM 1293 O MET A 88 -12.319 0.267 -1.442 1.00 0.00 O ATOM 1294 CB MET A 88 -11.449 -2.221 -2.535 1.00 0.00 C ATOM 1295 CG MET A 88 -10.453 -3.243 -3.086 1.00 0.00 C ATOM 1296 SD MET A 88 -11.262 -4.253 -4.351 1.00 0.00 S ATOM 1297 CE MET A 88 -10.040 -3.987 -5.660 1.00 0.00 C ATOM 0 H MET A 88 -11.874 -3.220 -0.057 1.00 0.00 H new ATOM 0 HA MET A 88 -9.962 -1.221 -1.279 1.00 0.00 H new ATOM 0 HB2 MET A 88 -12.426 -2.686 -2.403 1.00 0.00 H new ATOM 0 HB3 MET A 88 -11.578 -1.405 -3.247 1.00 0.00 H new ATOM 0 HG2 MET A 88 -9.589 -2.732 -3.511 1.00 0.00 H new ATOM 0 HG3 MET A 88 -10.084 -3.877 -2.280 1.00 0.00 H new ATOM 0 HE1 MET A 88 -10.548 -3.686 -6.576 1.00 0.00 H new ATOM 0 HE2 MET A 88 -9.346 -3.204 -5.356 1.00 0.00 H new ATOM 0 HE3 MET A 88 -9.489 -4.911 -5.837 1.00 0.00 H new ATOM 1307 N SER A 89 -12.270 -0.647 0.547 1.00 0.00 N ATOM 1308 CA SER A 89 -13.212 0.389 1.058 1.00 0.00 C ATOM 1309 C SER A 89 -13.170 0.472 2.571 1.00 0.00 C ATOM 1310 O SER A 89 -14.095 0.925 3.216 1.00 0.00 O ATOM 1311 CB SER A 89 -14.579 -0.069 0.585 1.00 0.00 C ATOM 1312 OG SER A 89 -15.554 0.899 0.948 1.00 0.00 O ATOM 0 H SER A 89 -11.965 -1.343 1.227 1.00 0.00 H new ATOM 0 HA SER A 89 -12.957 1.385 0.695 1.00 0.00 H new ATOM 0 HB2 SER A 89 -14.574 -0.208 -0.496 1.00 0.00 H new ATOM 0 HB3 SER A 89 -14.825 -1.033 1.029 1.00 0.00 H new ATOM 0 HG SER A 89 -15.458 1.119 1.898 1.00 0.00 H new ATOM 1318 N LEU A 90 -12.093 0.058 3.131 1.00 0.00 N ATOM 1319 CA LEU A 90 -11.948 0.121 4.615 1.00 0.00 C ATOM 1320 C LEU A 90 -13.013 -0.743 5.296 1.00 0.00 C ATOM 1321 O LEU A 90 -14.194 -0.488 5.161 1.00 0.00 O ATOM 1322 CB LEU A 90 -12.179 1.597 4.963 1.00 0.00 C ATOM 1323 CG LEU A 90 -10.872 2.243 5.419 1.00 0.00 C ATOM 1324 CD1 LEU A 90 -11.091 3.744 5.628 1.00 0.00 C ATOM 1325 CD2 LEU A 90 -10.423 1.609 6.737 1.00 0.00 C ATOM 0 H LEU A 90 -11.290 -0.328 2.633 1.00 0.00 H new ATOM 0 HA LEU A 90 -10.977 -0.245 4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -12.571 2.126 4.094 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -12.928 1.679 5.751 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.106 2.088 4.659 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.159 4.206 5.953 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -11.414 4.199 4.691 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -11.857 3.898 6.388 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.490 2.069 7.063 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -11.190 1.765 7.496 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -10.269 0.540 6.592 1.00 0.00 H new ATOM 1337 N PRO A 91 -12.562 -1.729 6.021 1.00 0.00 N ATOM 1338 CA PRO A 91 -13.497 -2.618 6.742 1.00 0.00 C ATOM 1339 C PRO A 91 -14.041 -1.908 7.987 1.00 0.00 C ATOM 1340 O PRO A 91 -13.360 -1.107 8.597 1.00 0.00 O ATOM 1341 CB PRO A 91 -12.639 -3.827 7.102 1.00 0.00 C ATOM 1342 CG PRO A 91 -11.229 -3.327 7.119 1.00 0.00 C ATOM 1343 CD PRO A 91 -11.161 -2.104 6.235 1.00 0.00 C ATOM 0 HA PRO A 91 -14.373 -2.902 6.158 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -12.923 -4.234 8.073 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -12.763 -4.627 6.372 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -10.924 -3.081 8.136 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -10.547 -4.097 6.759 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -10.603 -1.299 6.713 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -10.660 -2.323 5.292 1.00 0.00 H new ATOM 1351 N PRO A 92 -15.268 -2.212 8.299 1.00 0.00 N ATOM 1352 CA PRO A 92 -15.960 -1.586 9.464 1.00 0.00 C ATOM 1353 C PRO A 92 -15.386 -2.065 10.800 1.00 0.00 C ATOM 1354 O PRO A 92 -15.822 -1.649 11.855 1.00 0.00 O ATOM 1355 CB PRO A 92 -17.393 -2.073 9.320 1.00 0.00 C ATOM 1356 CG PRO A 92 -17.288 -3.342 8.539 1.00 0.00 C ATOM 1357 CD PRO A 92 -16.128 -3.172 7.602 1.00 0.00 C ATOM 0 HA PRO A 92 -15.853 -0.501 9.467 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -17.852 -2.245 10.294 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -18.010 -1.339 8.801 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -17.130 -4.193 9.201 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -18.208 -3.535 7.987 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -15.614 -4.116 7.423 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -16.448 -2.794 6.631 1.00 0.00 H new ATOM 1365 N ALA A 93 -14.425 -2.934 10.770 1.00 0.00 N ATOM 1366 CA ALA A 93 -13.841 -3.437 12.048 1.00 0.00 C ATOM 1367 C ALA A 93 -12.535 -2.706 12.344 1.00 0.00 C ATOM 1368 O ALA A 93 -12.067 -2.664 13.461 1.00 0.00 O ATOM 1369 CB ALA A 93 -13.580 -4.924 11.807 1.00 0.00 C ATOM 0 H ALA A 93 -14.014 -3.322 9.921 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.501 -3.274 12.900 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -13.149 -5.368 12.704 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.519 -5.424 11.570 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -12.886 -5.041 10.975 1.00 0.00 H new ATOM 1375 N LEU A 94 -11.949 -2.135 11.337 1.00 0.00 N ATOM 1376 CA LEU A 94 -10.665 -1.400 11.519 1.00 0.00 C ATOM 1377 C LEU A 94 -10.939 0.110 11.550 1.00 0.00 C ATOM 1378 O LEU A 94 -10.104 0.900 11.941 1.00 0.00 O ATOM 1379 CB LEU A 94 -9.848 -1.829 10.289 1.00 0.00 C ATOM 1380 CG LEU A 94 -8.788 -0.792 9.920 1.00 0.00 C ATOM 1381 CD1 LEU A 94 -9.459 0.411 9.262 1.00 0.00 C ATOM 1382 CD2 LEU A 94 -8.034 -0.353 11.173 1.00 0.00 C ATOM 0 H LEU A 94 -12.306 -2.144 10.382 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.140 -1.618 12.449 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.366 -2.786 10.489 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -10.518 -1.980 9.443 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.078 -1.233 9.220 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.703 1.151 8.999 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.981 0.089 8.361 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -10.173 0.854 9.956 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.280 0.386 10.903 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.734 0.086 11.884 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.549 -1.217 11.627 1.00 0.00 H new ATOM 1394 N VAL A 95 -12.111 0.517 11.149 1.00 0.00 N ATOM 1395 CA VAL A 95 -12.438 1.973 11.157 1.00 0.00 C ATOM 1396 C VAL A 95 -12.969 2.401 12.530 1.00 0.00 C ATOM 1397 O VAL A 95 -13.932 1.846 13.023 1.00 0.00 O ATOM 1398 CB VAL A 95 -13.524 2.139 10.093 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -13.971 3.600 10.045 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -12.968 1.735 8.726 1.00 0.00 C ATOM 0 H VAL A 95 -12.857 -0.094 10.816 1.00 0.00 H new ATOM 0 HA VAL A 95 -11.562 2.588 10.953 1.00 0.00 H new ATOM 0 HB VAL A 95 -14.374 1.504 10.342 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -14.745 3.719 9.287 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -14.368 3.891 11.018 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -13.119 4.233 9.796 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -13.743 1.854 7.969 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -12.117 2.369 8.477 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -12.647 0.694 8.757 1.00 0.00 H new