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 Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= -0.49 (180deg=-0.49) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 87:sc= -3.22! USER MOD Single : A 23 SER OG : rot 180:sc= -0.031 USER MOD Single : A 25 SER OG : rot 180:sc= -1.1! USER MOD Single : A 28 ASN : amide:sc= -6.87! C(o=-6.9!,f=-7.9!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.858 USER MOD Single : A 35 LYS NZ :NH3+ -158:sc= 0.98 (180deg=-0.235) USER MOD Single : A 37 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.157) USER MOD Single : A 42 ASN :FLIP amide:sc= -4.63! C(o=-7.1!,f=-4.6!) USER MOD Single : A 43 SER OG : rot -75:sc= -2.69! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 100:sc= -4.48! USER MOD Single : A 61 HIS : no HE2:sc= -5.62! C(o=-5.6!,f=-7.4!) USER MOD Single : A 64 MET CE :methyl 168:sc= -0.0279 (180deg=-0.226) USER MOD Single : A 74 MET CE :methyl -132:sc= -3.43! (180deg=-7.83!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl 157:sc= -0.105 (180deg=-0.828) USER MOD Single : A 89 SER OG : rot 65:sc= 0.216 USER MOD ----------------------------------------------------------------- ATOM 15 N TRP A 7 -11.990 -2.423 17.684 1.00 0.00 N ATOM 16 CA TRP A 7 -11.326 -1.923 16.447 1.00 0.00 C ATOM 17 C TRP A 7 -10.325 -2.963 15.938 1.00 0.00 C ATOM 18 O TRP A 7 -9.522 -3.483 16.686 1.00 0.00 O ATOM 19 CB TRP A 7 -10.611 -0.643 16.877 1.00 0.00 C ATOM 20 CG TRP A 7 -9.816 -0.097 15.735 1.00 0.00 C ATOM 21 CD1 TRP A 7 -10.049 -0.362 14.431 1.00 0.00 C ATOM 22 CD2 TRP A 7 -8.671 0.802 15.773 1.00 0.00 C ATOM 23 NE1 TRP A 7 -9.117 0.314 13.664 1.00 0.00 N ATOM 24 CE2 TRP A 7 -8.247 1.046 14.446 1.00 0.00 C ATOM 25 CE3 TRP A 7 -7.966 1.422 16.820 1.00 0.00 C ATOM 26 CZ2 TRP A 7 -7.160 1.878 14.168 1.00 0.00 C ATOM 27 CZ3 TRP A 7 -6.873 2.259 16.545 1.00 0.00 C ATOM 28 CH2 TRP A 7 -6.471 2.486 15.221 1.00 0.00 C ATOM 0 HA TRP A 7 -12.030 -1.738 15.636 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -11.339 0.096 17.211 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -9.955 -0.849 17.723 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -10.834 -0.998 14.050 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -9.078 0.276 12.645 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -8.268 1.253 17.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -6.854 2.050 13.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -6.339 2.730 17.357 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.629 3.130 15.015 1.00 0.00 H new ATOM 39 N ALA A 8 -10.372 -3.276 14.671 1.00 0.00 N ATOM 40 CA ALA A 8 -9.430 -4.288 14.114 1.00 0.00 C ATOM 41 C ALA A 8 -8.029 -4.093 14.691 1.00 0.00 C ATOM 42 O ALA A 8 -7.287 -5.037 14.882 1.00 0.00 O ATOM 43 CB ALA A 8 -9.418 -4.034 12.613 1.00 0.00 C ATOM 0 H ALA A 8 -11.023 -2.874 13.997 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.736 -5.305 14.359 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.745 -4.742 12.130 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.425 -4.160 12.215 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.076 -3.017 12.419 1.00 0.00 H new ATOM 49 N VAL A 9 -7.660 -2.876 14.964 1.00 0.00 N ATOM 50 CA VAL A 9 -6.306 -2.616 15.524 1.00 0.00 C ATOM 51 C VAL A 9 -6.386 -2.457 17.044 1.00 0.00 C ATOM 52 O VAL A 9 -7.103 -1.621 17.555 1.00 0.00 O ATOM 53 CB VAL A 9 -5.852 -1.316 14.861 1.00 0.00 C ATOM 54 CG1 VAL A 9 -4.586 -0.801 15.549 1.00 0.00 C ATOM 55 CG2 VAL A 9 -5.560 -1.580 13.381 1.00 0.00 C ATOM 0 H VAL A 9 -8.238 -2.047 14.824 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.610 -3.432 15.332 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.639 -0.567 14.952 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.265 0.126 15.074 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.794 -0.615 16.603 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.795 -1.546 15.461 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.236 -0.655 12.904 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.773 -2.329 13.293 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.463 -1.944 12.891 1.00 0.00 H new ATOM 65 N LYS A 10 -5.655 -3.260 17.768 1.00 0.00 N ATOM 66 CA LYS A 10 -5.683 -3.166 19.257 1.00 0.00 C ATOM 67 C LYS A 10 -4.591 -2.208 19.745 1.00 0.00 C ATOM 68 O LYS A 10 -3.890 -1.616 18.950 1.00 0.00 O ATOM 69 CB LYS A 10 -5.406 -4.592 19.736 1.00 0.00 C ATOM 70 CG LYS A 10 -6.616 -5.115 20.512 1.00 0.00 C ATOM 71 CD LYS A 10 -6.186 -6.282 21.404 1.00 0.00 C ATOM 72 CE LYS A 10 -6.366 -7.599 20.644 1.00 0.00 C ATOM 73 NZ LYS A 10 -6.348 -8.654 21.697 1.00 0.00 N ATOM 0 H LYS A 10 -5.037 -3.980 17.392 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.630 -2.782 19.637 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.200 -5.239 18.884 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.520 -4.608 20.370 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.044 -4.318 21.120 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.393 -5.440 19.820 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.145 -6.161 21.702 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.780 -6.293 22.318 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.304 -7.610 20.089 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.566 -7.750 19.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.466 -9.588 21.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.440 -8.623 22.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.125 -8.488 22.368 1.00 0.00 H new ATOM 87 N PRO A 11 -4.482 -2.087 21.042 1.00 0.00 N ATOM 88 CA PRO A 11 -3.459 -1.190 21.634 1.00 0.00 C ATOM 89 C PRO A 11 -2.060 -1.783 21.443 1.00 0.00 C ATOM 90 O PRO A 11 -1.100 -1.073 21.217 1.00 0.00 O ATOM 91 CB PRO A 11 -3.836 -1.138 23.110 1.00 0.00 C ATOM 92 CG PRO A 11 -4.595 -2.401 23.360 1.00 0.00 C ATOM 93 CD PRO A 11 -5.283 -2.763 22.070 1.00 0.00 C ATOM 0 HA PRO A 11 -3.435 -0.202 21.175 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.950 -1.078 23.742 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.445 -0.261 23.331 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.923 -3.199 23.676 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.323 -2.262 24.160 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.302 -3.842 21.916 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.318 -2.421 22.059 1.00 0.00 H new ATOM 101 N GLU A 12 -1.940 -3.079 21.526 1.00 0.00 N ATOM 102 CA GLU A 12 -0.610 -3.717 21.340 1.00 0.00 C ATOM 103 C GLU A 12 -0.245 -3.703 19.851 1.00 0.00 C ATOM 104 O GLU A 12 0.912 -3.737 19.485 1.00 0.00 O ATOM 105 CB GLU A 12 -0.790 -5.145 21.883 1.00 0.00 C ATOM 106 CG GLU A 12 -0.006 -6.150 21.035 1.00 0.00 C ATOM 107 CD GLU A 12 0.420 -7.332 21.908 1.00 0.00 C ATOM 108 OE1 GLU A 12 -0.360 -7.724 22.761 1.00 0.00 O ATOM 109 OE2 GLU A 12 1.518 -7.826 21.709 1.00 0.00 O ATOM 0 H GLU A 12 -2.708 -3.723 21.715 1.00 0.00 H new ATOM 0 HA GLU A 12 0.201 -3.203 21.857 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -0.450 -5.191 22.918 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.848 -5.409 21.883 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.621 -6.500 20.206 1.00 0.00 H new ATOM 0 HG3 GLU A 12 0.871 -5.670 20.601 1.00 0.00 H new ATOM 116 N ASP A 13 -1.226 -3.635 18.993 1.00 0.00 N ATOM 117 CA ASP A 13 -0.936 -3.596 17.534 1.00 0.00 C ATOM 118 C ASP A 13 -0.697 -2.149 17.116 1.00 0.00 C ATOM 119 O ASP A 13 0.150 -1.855 16.296 1.00 0.00 O ATOM 120 CB ASP A 13 -2.188 -4.159 16.860 1.00 0.00 C ATOM 121 CG ASP A 13 -1.927 -5.597 16.409 1.00 0.00 C ATOM 122 OD1 ASP A 13 -0.917 -5.820 15.760 1.00 0.00 O ATOM 123 OD2 ASP A 13 -2.740 -6.451 16.722 1.00 0.00 O ATOM 0 H ASP A 13 -2.215 -3.605 19.240 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.050 -4.169 17.259 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.029 -4.132 17.553 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.460 -3.542 16.003 1.00 0.00 H new ATOM 128 N LYS A 14 -1.430 -1.240 17.696 1.00 0.00 N ATOM 129 CA LYS A 14 -1.242 0.196 17.360 1.00 0.00 C ATOM 130 C LYS A 14 0.027 0.706 18.043 1.00 0.00 C ATOM 131 O LYS A 14 0.589 1.717 17.669 1.00 0.00 O ATOM 132 CB LYS A 14 -2.477 0.903 17.919 1.00 0.00 C ATOM 133 CG LYS A 14 -2.677 2.236 17.196 1.00 0.00 C ATOM 134 CD LYS A 14 -2.647 3.377 18.215 1.00 0.00 C ATOM 135 CE LYS A 14 -2.330 4.693 17.502 1.00 0.00 C ATOM 136 NZ LYS A 14 -1.016 5.122 18.057 1.00 0.00 N ATOM 0 H LYS A 14 -2.153 -1.432 18.390 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.135 0.371 16.290 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.358 0.273 17.792 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.358 1.073 18.989 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.895 2.379 16.451 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.628 2.234 16.664 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.608 3.449 18.723 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.897 3.176 18.979 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.277 4.555 16.422 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.101 5.440 17.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.729 6.019 17.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.099 5.252 19.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.300 4.394 17.857 1.00 0.00 H new ATOM 150 N ALA A 15 0.487 -0.004 19.036 1.00 0.00 N ATOM 151 CA ALA A 15 1.728 0.417 19.744 1.00 0.00 C ATOM 152 C ALA A 15 2.923 0.185 18.823 1.00 0.00 C ATOM 153 O ALA A 15 3.832 0.989 18.748 1.00 0.00 O ATOM 154 CB ALA A 15 1.814 -0.480 20.978 1.00 0.00 C ATOM 0 H ALA A 15 0.056 -0.859 19.388 1.00 0.00 H new ATOM 0 HA ALA A 15 1.722 1.471 20.024 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.706 -0.227 21.550 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.930 -0.331 21.599 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.867 -1.523 20.667 1.00 0.00 H new ATOM 160 N LYS A 16 2.912 -0.903 18.104 1.00 0.00 N ATOM 161 CA LYS A 16 4.025 -1.185 17.165 1.00 0.00 C ATOM 162 C LYS A 16 3.867 -0.281 15.941 1.00 0.00 C ATOM 163 O LYS A 16 4.800 -0.030 15.205 1.00 0.00 O ATOM 164 CB LYS A 16 3.883 -2.675 16.826 1.00 0.00 C ATOM 165 CG LYS A 16 3.054 -2.865 15.561 1.00 0.00 C ATOM 166 CD LYS A 16 2.873 -4.362 15.297 1.00 0.00 C ATOM 167 CE LYS A 16 4.134 -4.923 14.635 1.00 0.00 C ATOM 168 NZ LYS A 16 4.701 -5.871 15.633 1.00 0.00 N ATOM 0 H LYS A 16 2.176 -1.609 18.129 1.00 0.00 H new ATOM 0 HA LYS A 16 5.017 -0.986 17.572 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.870 -3.117 16.689 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.411 -3.199 17.658 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.083 -2.383 15.673 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.549 -2.391 14.713 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.678 -4.886 16.233 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.009 -4.526 14.654 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.897 -5.429 13.699 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.842 -4.129 14.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.570 -6.298 15.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.923 -5.359 16.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.007 -6.619 15.834 1.00 0.00 H new ATOM 182 N TYR A 17 2.682 0.235 15.748 1.00 0.00 N ATOM 183 CA TYR A 17 2.435 1.156 14.607 1.00 0.00 C ATOM 184 C TYR A 17 2.878 2.561 15.006 1.00 0.00 C ATOM 185 O TYR A 17 3.295 3.356 14.188 1.00 0.00 O ATOM 186 CB TYR A 17 0.920 1.127 14.388 1.00 0.00 C ATOM 187 CG TYR A 17 0.462 -0.270 14.034 1.00 0.00 C ATOM 188 CD1 TYR A 17 1.396 -1.281 13.780 1.00 0.00 C ATOM 189 CD2 TYR A 17 -0.908 -0.550 13.955 1.00 0.00 C ATOM 190 CE1 TYR A 17 0.961 -2.569 13.448 1.00 0.00 C ATOM 191 CE2 TYR A 17 -1.345 -1.838 13.622 1.00 0.00 C ATOM 192 CZ TYR A 17 -0.409 -2.848 13.370 1.00 0.00 C ATOM 193 OH TYR A 17 -0.836 -4.119 13.041 1.00 0.00 O ATOM 0 H TYR A 17 1.870 0.055 16.338 1.00 0.00 H new ATOM 0 HA TYR A 17 2.977 0.869 13.706 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.410 1.466 15.290 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.649 1.818 13.590 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.453 -1.067 13.840 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.629 0.229 14.151 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.682 -3.348 13.252 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.402 -2.052 13.560 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.888 -4.667 13.852 1.00 0.00 H new ATOM 203 N ASP A 18 2.784 2.865 16.274 1.00 0.00 N ATOM 204 CA ASP A 18 3.193 4.215 16.756 1.00 0.00 C ATOM 205 C ASP A 18 4.717 4.308 16.823 1.00 0.00 C ATOM 206 O ASP A 18 5.278 5.377 16.970 1.00 0.00 O ATOM 207 CB ASP A 18 2.587 4.338 18.153 1.00 0.00 C ATOM 208 CG ASP A 18 2.099 5.770 18.372 1.00 0.00 C ATOM 209 OD1 ASP A 18 2.542 6.643 17.644 1.00 0.00 O ATOM 210 OD2 ASP A 18 1.290 5.969 19.263 1.00 0.00 O ATOM 0 H ASP A 18 2.440 2.234 16.998 1.00 0.00 H new ATOM 0 HA ASP A 18 2.853 5.012 16.094 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.758 3.639 18.264 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.329 4.076 18.907 1.00 0.00 H new ATOM 215 N ALA A 19 5.395 3.201 16.691 1.00 0.00 N ATOM 216 CA ALA A 19 6.883 3.241 16.717 1.00 0.00 C ATOM 217 C ALA A 19 7.360 3.400 15.284 1.00 0.00 C ATOM 218 O ALA A 19 8.341 4.058 14.998 1.00 0.00 O ATOM 219 CB ALA A 19 7.321 1.895 17.291 1.00 0.00 C ATOM 0 H ALA A 19 4.985 2.275 16.567 1.00 0.00 H new ATOM 0 HA ALA A 19 7.289 4.059 17.313 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.409 1.856 17.338 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.910 1.776 18.293 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.957 1.091 16.651 1.00 0.00 H new ATOM 225 N ILE A 20 6.630 2.818 14.380 1.00 0.00 N ATOM 226 CA ILE A 20 6.965 2.935 12.947 1.00 0.00 C ATOM 227 C ILE A 20 6.446 4.282 12.455 1.00 0.00 C ATOM 228 O ILE A 20 6.990 4.886 11.555 1.00 0.00 O ATOM 229 CB ILE A 20 6.202 1.784 12.297 1.00 0.00 C ATOM 230 CG1 ILE A 20 6.955 0.471 12.520 1.00 0.00 C ATOM 231 CG2 ILE A 20 6.057 2.042 10.806 1.00 0.00 C ATOM 232 CD1 ILE A 20 5.944 -0.668 12.659 1.00 0.00 C ATOM 0 H ILE A 20 5.802 2.258 14.582 1.00 0.00 H new ATOM 0 HA ILE A 20 8.031 2.885 12.725 1.00 0.00 H new ATOM 0 HB ILE A 20 5.213 1.712 12.749 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.628 0.277 11.685 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.571 0.538 13.417 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.512 1.218 10.346 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.510 2.972 10.649 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.045 2.121 10.353 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.474 -1.607 12.818 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.290 -0.472 13.508 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.347 -0.738 11.750 1.00 0.00 H new ATOM 244 N PHE A 21 5.397 4.759 13.069 1.00 0.00 N ATOM 245 CA PHE A 21 4.826 6.076 12.680 1.00 0.00 C ATOM 246 C PHE A 21 5.729 7.182 13.229 1.00 0.00 C ATOM 247 O PHE A 21 5.919 8.214 12.616 1.00 0.00 O ATOM 248 CB PHE A 21 3.435 6.102 13.339 1.00 0.00 C ATOM 249 CG PHE A 21 3.076 7.507 13.774 1.00 0.00 C ATOM 250 CD1 PHE A 21 3.668 8.054 14.919 1.00 0.00 C ATOM 251 CD2 PHE A 21 2.156 8.257 13.034 1.00 0.00 C ATOM 252 CE1 PHE A 21 3.341 9.352 15.323 1.00 0.00 C ATOM 253 CE2 PHE A 21 1.828 9.556 13.438 1.00 0.00 C ATOM 254 CZ PHE A 21 2.421 10.102 14.583 1.00 0.00 C ATOM 0 H PHE A 21 4.909 4.287 13.830 1.00 0.00 H new ATOM 0 HA PHE A 21 4.753 6.226 11.603 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.688 5.731 12.638 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.423 5.435 14.201 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.377 7.473 15.490 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.699 7.834 12.152 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.798 9.775 16.205 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.118 10.137 12.867 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.167 11.104 14.895 1.00 0.00 H new ATOM 264 N ASP A 22 6.286 6.963 14.385 1.00 0.00 N ATOM 265 CA ASP A 22 7.181 7.981 14.994 1.00 0.00 C ATOM 266 C ASP A 22 8.625 7.745 14.538 1.00 0.00 C ATOM 267 O ASP A 22 9.523 8.493 14.871 1.00 0.00 O ATOM 268 CB ASP A 22 7.036 7.778 16.501 1.00 0.00 C ATOM 269 CG ASP A 22 8.212 8.439 17.223 1.00 0.00 C ATOM 270 OD1 ASP A 22 9.266 7.829 17.276 1.00 0.00 O ATOM 271 OD2 ASP A 22 8.036 9.543 17.709 1.00 0.00 O ATOM 0 H ASP A 22 6.158 6.115 14.938 1.00 0.00 H new ATOM 0 HA ASP A 22 6.924 8.999 14.702 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.096 8.207 16.847 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.005 6.714 16.734 1.00 0.00 H new ATOM 276 N SER A 23 8.849 6.719 13.759 1.00 0.00 N ATOM 277 CA SER A 23 10.227 6.442 13.261 1.00 0.00 C ATOM 278 C SER A 23 10.444 7.185 11.940 1.00 0.00 C ATOM 279 O SER A 23 11.527 7.206 11.388 1.00 0.00 O ATOM 280 CB SER A 23 10.279 4.930 13.045 1.00 0.00 C ATOM 281 OG SER A 23 11.099 4.644 11.919 1.00 0.00 O ATOM 0 H SER A 23 8.135 6.061 13.446 1.00 0.00 H new ATOM 0 HA SER A 23 11.001 6.771 13.954 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.676 4.438 13.933 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.274 4.539 12.886 1.00 0.00 H new ATOM 0 HG SER A 23 11.136 3.675 11.779 1.00 0.00 H new ATOM 287 N LEU A 24 9.407 7.795 11.437 1.00 0.00 N ATOM 288 CA LEU A 24 9.503 8.549 10.155 1.00 0.00 C ATOM 289 C LEU A 24 9.427 10.045 10.450 1.00 0.00 C ATOM 290 O LEU A 24 9.631 10.870 9.583 1.00 0.00 O ATOM 291 CB LEU A 24 8.272 8.132 9.334 1.00 0.00 C ATOM 292 CG LEU A 24 7.881 6.684 9.633 1.00 0.00 C ATOM 293 CD1 LEU A 24 6.443 6.436 9.171 1.00 0.00 C ATOM 294 CD2 LEU A 24 8.820 5.739 8.887 1.00 0.00 C ATOM 0 H LEU A 24 8.482 7.803 11.867 1.00 0.00 H new ATOM 0 HA LEU A 24 10.434 8.343 9.627 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.436 8.793 9.563 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.484 8.243 8.271 1.00 0.00 H new ATOM 0 HG LEU A 24 7.956 6.504 10.705 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.165 5.404 9.384 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.769 7.110 9.700 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.369 6.617 8.099 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.542 4.707 9.100 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.744 5.922 7.815 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.846 5.913 9.213 1.00 0.00 H new ATOM 306 N SER A 25 9.100 10.381 11.674 1.00 0.00 N ATOM 307 CA SER A 25 8.962 11.817 12.085 1.00 0.00 C ATOM 308 C SER A 25 7.573 12.321 11.703 1.00 0.00 C ATOM 309 O SER A 25 7.354 12.781 10.600 1.00 0.00 O ATOM 310 CB SER A 25 10.050 12.599 11.344 1.00 0.00 C ATOM 311 OG SER A 25 11.234 11.815 11.287 1.00 0.00 O ATOM 0 H SER A 25 8.919 9.710 12.420 1.00 0.00 H new ATOM 0 HA SER A 25 9.077 11.941 13.162 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.715 12.846 10.337 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.248 13.542 11.854 1.00 0.00 H new ATOM 0 HG SER A 25 11.933 12.312 10.812 1.00 0.00 H new ATOM 317 N PRO A 26 6.676 12.199 12.640 1.00 0.00 N ATOM 318 CA PRO A 26 5.277 12.627 12.423 1.00 0.00 C ATOM 319 C PRO A 26 5.177 14.146 12.417 1.00 0.00 C ATOM 320 O PRO A 26 5.917 14.838 13.088 1.00 0.00 O ATOM 321 CB PRO A 26 4.532 12.042 13.614 1.00 0.00 C ATOM 322 CG PRO A 26 5.566 11.884 14.679 1.00 0.00 C ATOM 323 CD PRO A 26 6.885 11.656 13.985 1.00 0.00 C ATOM 0 HA PRO A 26 4.874 12.292 11.467 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.728 12.702 13.940 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.076 11.085 13.362 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.610 12.773 15.308 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.323 11.044 15.330 1.00 0.00 H new ATOM 0 HD2 PRO A 26 7.700 12.166 14.499 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.141 10.597 13.953 1.00 0.00 H new ATOM 331 N VAL A 27 4.258 14.663 11.663 1.00 0.00 N ATOM 332 CA VAL A 27 4.085 16.139 11.603 1.00 0.00 C ATOM 333 C VAL A 27 2.753 16.522 12.249 1.00 0.00 C ATOM 334 O VAL A 27 1.694 16.184 11.759 1.00 0.00 O ATOM 335 CB VAL A 27 4.094 16.482 10.114 1.00 0.00 C ATOM 336 CG1 VAL A 27 4.080 18.001 9.939 1.00 0.00 C ATOM 337 CG2 VAL A 27 5.360 15.906 9.471 1.00 0.00 C ATOM 0 H VAL A 27 3.614 14.127 11.081 1.00 0.00 H new ATOM 0 HA VAL A 27 4.867 16.679 12.137 1.00 0.00 H new ATOM 0 HB VAL A 27 3.213 16.055 9.635 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.086 18.245 8.877 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.182 18.412 10.400 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.962 18.430 10.415 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.371 16.148 8.408 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.239 16.336 9.950 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.371 14.823 9.596 1.00 0.00 H new ATOM 347 N ASN A 28 2.800 17.206 13.358 1.00 0.00 N ATOM 348 CA ASN A 28 1.540 17.593 14.052 1.00 0.00 C ATOM 349 C ASN A 28 0.595 16.384 14.123 1.00 0.00 C ATOM 350 O ASN A 28 -0.608 16.524 14.225 1.00 0.00 O ATOM 351 CB ASN A 28 0.952 18.742 13.214 1.00 0.00 C ATOM 352 CG ASN A 28 0.005 18.207 12.134 1.00 0.00 C ATOM 353 OD1 ASN A 28 0.414 17.963 11.016 1.00 0.00 O ATOM 354 ND2 ASN A 28 -1.254 18.025 12.422 1.00 0.00 N ATOM 0 H ASN A 28 3.658 17.514 13.815 1.00 0.00 H new ATOM 0 HA ASN A 28 1.702 17.913 15.081 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.415 19.433 13.864 1.00 0.00 H new ATOM 0 HB3 ASN A 28 1.759 19.306 12.747 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.895 17.678 11.709 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.597 18.230 13.360 1.00 0.00 H new ATOM 361 N GLY A 29 1.143 15.196 14.079 1.00 0.00 N ATOM 362 CA GLY A 29 0.298 13.970 14.154 1.00 0.00 C ATOM 363 C GLY A 29 0.019 13.439 12.747 1.00 0.00 C ATOM 364 O GLY A 29 -1.042 12.916 12.471 1.00 0.00 O ATOM 0 H GLY A 29 2.145 15.024 13.994 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.803 13.207 14.746 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.641 14.196 14.659 1.00 0.00 H new ATOM 368 N PHE A 30 0.959 13.570 11.851 1.00 0.00 N ATOM 369 CA PHE A 30 0.734 13.069 10.466 1.00 0.00 C ATOM 370 C PHE A 30 2.039 12.662 9.795 1.00 0.00 C ATOM 371 O PHE A 30 3.099 13.182 10.087 1.00 0.00 O ATOM 372 CB PHE A 30 0.115 14.242 9.713 1.00 0.00 C ATOM 373 CG PHE A 30 -1.281 14.453 10.222 1.00 0.00 C ATOM 374 CD1 PHE A 30 -2.337 13.723 9.671 1.00 0.00 C ATOM 375 CD2 PHE A 30 -1.516 15.367 11.248 1.00 0.00 C ATOM 376 CE1 PHE A 30 -3.639 13.913 10.150 1.00 0.00 C ATOM 377 CE2 PHE A 30 -2.812 15.557 11.730 1.00 0.00 C ATOM 378 CZ PHE A 30 -3.878 14.831 11.181 1.00 0.00 C ATOM 0 H PHE A 30 1.869 14.000 12.017 1.00 0.00 H new ATOM 0 HA PHE A 30 0.098 12.184 10.471 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.711 15.143 9.859 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.101 14.039 8.642 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.150 13.014 8.878 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.695 15.928 11.670 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.458 13.352 9.725 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.994 16.264 12.526 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.881 14.979 11.552 1.00 0.00 H new ATOM 388 N LEU A 31 1.953 11.764 8.861 1.00 0.00 N ATOM 389 CA LEU A 31 3.163 11.341 8.110 1.00 0.00 C ATOM 390 C LEU A 31 2.902 11.575 6.634 1.00 0.00 C ATOM 391 O LEU A 31 1.899 11.150 6.106 1.00 0.00 O ATOM 392 CB LEU A 31 3.349 9.857 8.387 1.00 0.00 C ATOM 393 CG LEU A 31 3.850 9.666 9.815 1.00 0.00 C ATOM 394 CD1 LEU A 31 3.608 8.223 10.256 1.00 0.00 C ATOM 395 CD2 LEU A 31 5.346 9.973 9.861 1.00 0.00 C ATOM 0 H LEU A 31 1.089 11.300 8.582 1.00 0.00 H new ATOM 0 HA LEU A 31 4.055 11.895 8.404 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.406 9.329 8.247 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.061 9.430 7.680 1.00 0.00 H new ATOM 0 HG LEU A 31 3.315 10.338 10.486 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.967 8.089 11.277 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.541 8.004 10.215 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.143 7.545 9.591 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.714 9.839 10.878 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.877 9.297 9.191 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.516 11.003 9.546 1.00 0.00 H new ATOM 407 N SER A 32 3.776 12.256 5.968 1.00 0.00 N ATOM 408 CA SER A 32 3.545 12.534 4.524 1.00 0.00 C ATOM 409 C SER A 32 3.576 11.246 3.712 1.00 0.00 C ATOM 410 O SER A 32 4.407 10.386 3.916 1.00 0.00 O ATOM 411 CB SER A 32 4.679 13.459 4.097 1.00 0.00 C ATOM 412 OG SER A 32 5.893 12.724 4.041 1.00 0.00 O ATOM 0 H SER A 32 4.641 12.635 6.354 1.00 0.00 H new ATOM 0 HA SER A 32 2.568 12.987 4.357 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.460 13.895 3.122 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.774 14.285 4.802 1.00 0.00 H new ATOM 0 HG SER A 32 6.622 13.318 3.765 1.00 0.00 H new ATOM 418 N GLY A 33 2.672 11.115 2.785 1.00 0.00 N ATOM 419 CA GLY A 33 2.644 9.890 1.944 1.00 0.00 C ATOM 420 C GLY A 33 4.054 9.604 1.427 1.00 0.00 C ATOM 421 O GLY A 33 4.407 8.474 1.157 1.00 0.00 O ATOM 0 H GLY A 33 1.951 11.804 2.573 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.278 9.044 2.525 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.957 10.024 1.108 1.00 0.00 H new ATOM 425 N ASP A 34 4.867 10.619 1.295 1.00 0.00 N ATOM 426 CA ASP A 34 6.261 10.400 0.805 1.00 0.00 C ATOM 427 C ASP A 34 7.134 9.892 1.951 1.00 0.00 C ATOM 428 O ASP A 34 8.216 9.378 1.744 1.00 0.00 O ATOM 429 CB ASP A 34 6.741 11.771 0.329 1.00 0.00 C ATOM 430 CG ASP A 34 6.039 12.132 -0.980 1.00 0.00 C ATOM 431 OD1 ASP A 34 6.085 11.327 -1.895 1.00 0.00 O ATOM 432 OD2 ASP A 34 5.466 13.207 -1.045 1.00 0.00 O ATOM 0 H ASP A 34 4.627 11.588 1.505 1.00 0.00 H new ATOM 0 HA ASP A 34 6.311 9.660 0.007 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.530 12.525 1.087 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.821 11.759 0.183 1.00 0.00 H new ATOM 437 N LYS A 35 6.658 10.013 3.156 1.00 0.00 N ATOM 438 CA LYS A 35 7.430 9.523 4.325 1.00 0.00 C ATOM 439 C LYS A 35 7.006 8.089 4.606 1.00 0.00 C ATOM 440 O LYS A 35 7.806 7.227 4.915 1.00 0.00 O ATOM 441 CB LYS A 35 7.018 10.453 5.456 1.00 0.00 C ATOM 442 CG LYS A 35 7.561 9.927 6.778 1.00 0.00 C ATOM 443 CD LYS A 35 7.265 10.947 7.875 1.00 0.00 C ATOM 444 CE LYS A 35 7.862 12.302 7.494 1.00 0.00 C ATOM 445 NZ LYS A 35 9.300 12.026 7.217 1.00 0.00 N ATOM 0 H LYS A 35 5.757 10.435 3.382 1.00 0.00 H new ATOM 0 HA LYS A 35 8.511 9.524 4.183 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.398 11.458 5.270 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.931 10.526 5.502 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.101 8.969 7.020 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.635 9.755 6.703 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.188 11.040 8.017 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.684 10.608 8.823 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.365 12.720 6.619 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.747 13.025 8.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.847 12.905 7.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.654 11.319 7.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.403 11.661 6.249 1.00 0.00 H new ATOM 459 N VAL A 36 5.739 7.838 4.474 1.00 0.00 N ATOM 460 CA VAL A 36 5.204 6.469 4.698 1.00 0.00 C ATOM 461 C VAL A 36 5.378 5.624 3.436 1.00 0.00 C ATOM 462 O VAL A 36 5.540 4.421 3.496 1.00 0.00 O ATOM 463 CB VAL A 36 3.721 6.683 4.967 1.00 0.00 C ATOM 464 CG1 VAL A 36 3.042 5.326 5.144 1.00 0.00 C ATOM 465 CG2 VAL A 36 3.552 7.534 6.226 1.00 0.00 C ATOM 0 H VAL A 36 5.039 8.533 4.216 1.00 0.00 H new ATOM 0 HA VAL A 36 5.713 5.952 5.511 1.00 0.00 H new ATOM 0 HB VAL A 36 3.260 7.203 4.127 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.979 5.473 5.337 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.168 4.735 4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.494 4.800 5.985 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.491 7.689 6.421 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.006 7.022 7.075 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.039 8.499 6.081 1.00 0.00 H new ATOM 475 N LYS A 37 5.330 6.250 2.292 1.00 0.00 N ATOM 476 CA LYS A 37 5.475 5.495 1.014 1.00 0.00 C ATOM 477 C LYS A 37 6.545 4.405 1.135 1.00 0.00 C ATOM 478 O LYS A 37 6.293 3.260 0.815 1.00 0.00 O ATOM 479 CB LYS A 37 5.891 6.531 -0.031 1.00 0.00 C ATOM 480 CG LYS A 37 4.766 6.704 -1.055 1.00 0.00 C ATOM 481 CD LYS A 37 5.041 7.942 -1.913 1.00 0.00 C ATOM 482 CE LYS A 37 5.363 7.509 -3.346 1.00 0.00 C ATOM 483 NZ LYS A 37 4.056 7.086 -3.926 1.00 0.00 N ATOM 0 H LYS A 37 5.196 7.256 2.187 1.00 0.00 H new ATOM 0 HA LYS A 37 4.546 4.992 0.745 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.107 7.484 0.452 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.806 6.212 -0.530 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.696 5.819 -1.687 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.808 6.808 -0.545 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.173 8.602 -1.907 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.874 8.508 -1.497 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.801 8.328 -3.916 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.083 6.691 -3.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.064 7.246 -4.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.902 6.076 -3.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.289 7.641 -3.495 1.00 0.00 H new ATOM 497 N PRO A 38 7.710 4.785 1.599 1.00 0.00 N ATOM 498 CA PRO A 38 8.811 3.800 1.754 1.00 0.00 C ATOM 499 C PRO A 38 8.414 2.736 2.771 1.00 0.00 C ATOM 500 O PRO A 38 8.813 1.591 2.682 1.00 0.00 O ATOM 501 CB PRO A 38 9.983 4.647 2.246 1.00 0.00 C ATOM 502 CG PRO A 38 9.348 5.850 2.856 1.00 0.00 C ATOM 503 CD PRO A 38 8.119 6.129 2.035 1.00 0.00 C ATOM 0 HA PRO A 38 9.054 3.262 0.838 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.586 4.105 2.974 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.646 4.922 1.425 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.088 5.668 3.899 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.029 6.701 2.841 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.342 6.618 2.622 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.337 6.781 1.189 1.00 0.00 H new ATOM 511 N VAL A 39 7.621 3.108 3.729 1.00 0.00 N ATOM 512 CA VAL A 39 7.177 2.127 4.754 1.00 0.00 C ATOM 513 C VAL A 39 6.129 1.186 4.154 1.00 0.00 C ATOM 514 O VAL A 39 5.836 0.139 4.698 1.00 0.00 O ATOM 515 CB VAL A 39 6.578 2.983 5.877 1.00 0.00 C ATOM 516 CG1 VAL A 39 5.560 2.171 6.681 1.00 0.00 C ATOM 517 CG2 VAL A 39 7.693 3.460 6.807 1.00 0.00 C ATOM 0 H VAL A 39 7.258 4.054 3.849 1.00 0.00 H new ATOM 0 HA VAL A 39 7.988 1.497 5.119 1.00 0.00 H new ATOM 0 HB VAL A 39 6.075 3.842 5.433 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.144 2.792 7.474 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.758 1.838 6.022 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.052 1.303 7.120 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.266 4.068 7.605 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.200 2.597 7.240 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.409 4.055 6.241 1.00 0.00 H new ATOM 527 N LEU A 40 5.581 1.537 3.029 1.00 0.00 N ATOM 528 CA LEU A 40 4.575 0.648 2.388 1.00 0.00 C ATOM 529 C LEU A 40 5.259 -0.197 1.315 1.00 0.00 C ATOM 530 O LEU A 40 4.802 -1.266 0.963 1.00 0.00 O ATOM 531 CB LEU A 40 3.549 1.588 1.763 1.00 0.00 C ATOM 532 CG LEU A 40 2.835 2.369 2.867 1.00 0.00 C ATOM 533 CD1 LEU A 40 1.743 3.244 2.250 1.00 0.00 C ATOM 534 CD2 LEU A 40 2.201 1.391 3.857 1.00 0.00 C ATOM 0 H LEU A 40 5.785 2.400 2.525 1.00 0.00 H new ATOM 0 HA LEU A 40 4.107 -0.037 3.095 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.041 2.276 1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.826 1.018 1.180 1.00 0.00 H new ATOM 0 HG LEU A 40 3.556 2.999 3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.234 3.800 3.037 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.192 3.943 1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.023 2.613 1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.692 1.948 4.644 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.481 0.761 3.335 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.977 0.766 4.299 1.00 0.00 H new ATOM 546 N LEU A 41 6.363 0.270 0.797 1.00 0.00 N ATOM 547 CA LEU A 41 7.077 -0.509 -0.248 1.00 0.00 C ATOM 548 C LEU A 41 8.047 -1.490 0.402 1.00 0.00 C ATOM 549 O LEU A 41 8.265 -2.576 -0.096 1.00 0.00 O ATOM 550 CB LEU A 41 7.843 0.521 -1.072 1.00 0.00 C ATOM 551 CG LEU A 41 6.886 1.605 -1.557 1.00 0.00 C ATOM 552 CD1 LEU A 41 7.600 2.953 -1.504 1.00 0.00 C ATOM 553 CD2 LEU A 41 6.465 1.304 -2.996 1.00 0.00 C ATOM 0 H LEU A 41 6.799 1.156 1.053 1.00 0.00 H new ATOM 0 HA LEU A 41 6.390 -1.090 -0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.636 0.965 -0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.321 0.037 -1.923 1.00 0.00 H new ATOM 0 HG LEU A 41 6.001 1.631 -0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.925 3.736 -1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.906 3.163 -0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.480 2.924 -2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.781 2.078 -3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.347 1.284 -3.636 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.967 0.335 -3.034 1.00 0.00 H new ATOM 565 N ASN A 42 8.638 -1.127 1.510 1.00 0.00 N ATOM 566 CA ASN A 42 9.588 -2.070 2.159 1.00 0.00 C ATOM 567 C ASN A 42 8.829 -3.310 2.646 1.00 0.00 C ATOM 568 O ASN A 42 9.416 -4.295 3.048 1.00 0.00 O ATOM 569 CB ASN A 42 10.197 -1.299 3.335 1.00 0.00 C ATOM 570 CG ASN A 42 9.209 -1.276 4.498 1.00 0.00 C ATOM 571 OD1 ASN A 42 8.176 -0.492 4.427 1.00 0.00 O flip ATOM 572 ND2 ASN A 42 9.380 -1.976 5.477 1.00 0.00 N flip ATOM 0 H ASN A 42 8.506 -0.234 1.985 1.00 0.00 H new ATOM 0 HA ASN A 42 10.364 -2.416 1.476 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.130 -1.768 3.647 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.439 -0.281 3.030 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.193 -2.590 5.529 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.711 -1.949 6.246 1.00 0.00 H new ATOM 579 N SER A 43 7.521 -3.263 2.612 1.00 0.00 N ATOM 580 CA SER A 43 6.713 -4.430 3.069 1.00 0.00 C ATOM 581 C SER A 43 6.652 -5.501 1.975 1.00 0.00 C ATOM 582 O SER A 43 5.933 -6.474 2.085 1.00 0.00 O ATOM 583 CB SER A 43 5.323 -3.860 3.337 1.00 0.00 C ATOM 584 OG SER A 43 5.453 -2.597 3.975 1.00 0.00 O ATOM 0 H SER A 43 6.978 -2.463 2.286 1.00 0.00 H new ATOM 0 HA SER A 43 7.140 -4.907 3.951 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.773 -3.754 2.402 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.752 -4.542 3.967 1.00 0.00 H new ATOM 0 HG SER A 43 5.708 -2.729 4.912 1.00 0.00 H new ATOM 590 N LYS A 44 7.402 -5.332 0.920 1.00 0.00 N ATOM 591 CA LYS A 44 7.389 -6.342 -0.178 1.00 0.00 C ATOM 592 C LYS A 44 6.011 -6.392 -0.844 1.00 0.00 C ATOM 593 O LYS A 44 5.683 -7.328 -1.546 1.00 0.00 O ATOM 594 CB LYS A 44 7.706 -7.675 0.500 1.00 0.00 C ATOM 595 CG LYS A 44 9.094 -8.150 0.066 1.00 0.00 C ATOM 596 CD LYS A 44 10.158 -7.213 0.640 1.00 0.00 C ATOM 597 CE LYS A 44 11.550 -7.760 0.312 1.00 0.00 C ATOM 598 NZ LYS A 44 12.057 -8.323 1.596 1.00 0.00 N ATOM 0 H LYS A 44 8.024 -4.538 0.770 1.00 0.00 H new ATOM 0 HA LYS A 44 8.108 -6.103 -0.961 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.671 -7.562 1.584 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.955 -8.419 0.233 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.266 -9.169 0.413 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.160 -8.169 -1.022 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.041 -6.213 0.222 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.036 -7.124 1.719 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.501 -8.526 -0.462 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.206 -6.973 -0.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.008 -8.717 1.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.100 -7.570 2.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.417 -9.075 1.922 1.00 0.00 H new ATOM 612 N LEU A 45 5.203 -5.389 -0.632 1.00 0.00 N ATOM 613 CA LEU A 45 3.848 -5.376 -1.258 1.00 0.00 C ATOM 614 C LEU A 45 3.874 -4.547 -2.541 1.00 0.00 C ATOM 615 O LEU A 45 4.684 -3.654 -2.687 1.00 0.00 O ATOM 616 CB LEU A 45 2.937 -4.717 -0.224 1.00 0.00 C ATOM 617 CG LEU A 45 2.410 -5.774 0.746 1.00 0.00 C ATOM 618 CD1 LEU A 45 1.581 -5.092 1.838 1.00 0.00 C ATOM 619 CD2 LEU A 45 1.531 -6.774 -0.011 1.00 0.00 C ATOM 0 H LEU A 45 5.421 -4.578 -0.053 1.00 0.00 H new ATOM 0 HA LEU A 45 3.508 -6.377 -1.524 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.486 -3.950 0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.105 -4.220 -0.722 1.00 0.00 H new ATOM 0 HG LEU A 45 3.249 -6.301 1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.204 -5.844 2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.206 -4.381 2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.742 -4.565 1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.156 -7.527 0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.691 -6.249 -0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.120 -7.259 -0.790 1.00 0.00 H new ATOM 631 N PRO A 46 2.977 -4.870 -3.430 1.00 0.00 N ATOM 632 CA PRO A 46 2.888 -4.140 -4.709 1.00 0.00 C ATOM 633 C PRO A 46 2.254 -2.761 -4.496 1.00 0.00 C ATOM 634 O PRO A 46 1.645 -2.491 -3.479 1.00 0.00 O ATOM 635 CB PRO A 46 2.009 -5.038 -5.574 1.00 0.00 C ATOM 636 CG PRO A 46 1.197 -5.846 -4.619 1.00 0.00 C ATOM 637 CD PRO A 46 1.971 -5.932 -3.327 1.00 0.00 C ATOM 0 HA PRO A 46 3.858 -3.948 -5.167 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.369 -4.447 -6.229 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.614 -5.680 -6.214 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.225 -5.382 -4.454 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.010 -6.842 -5.021 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.322 -5.781 -2.465 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.437 -6.910 -3.208 1.00 0.00 H new ATOM 645 N VAL A 47 2.407 -1.889 -5.450 1.00 0.00 N ATOM 646 CA VAL A 47 1.838 -0.516 -5.331 1.00 0.00 C ATOM 647 C VAL A 47 0.309 -0.571 -5.287 1.00 0.00 C ATOM 648 O VAL A 47 -0.348 0.418 -5.024 1.00 0.00 O ATOM 649 CB VAL A 47 2.320 0.209 -6.588 1.00 0.00 C ATOM 650 CG1 VAL A 47 1.456 1.446 -6.836 1.00 0.00 C ATOM 651 CG2 VAL A 47 3.777 0.635 -6.398 1.00 0.00 C ATOM 0 H VAL A 47 2.909 -2.070 -6.320 1.00 0.00 H new ATOM 0 HA VAL A 47 2.154 -0.011 -4.418 1.00 0.00 H new ATOM 0 HB VAL A 47 2.241 -0.461 -7.444 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.804 1.959 -7.733 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.418 1.143 -6.971 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.530 2.119 -5.982 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.124 1.152 -7.292 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.852 1.303 -5.540 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.394 -0.247 -6.226 1.00 0.00 H new ATOM 661 N ASP A 48 -0.263 -1.717 -5.523 1.00 0.00 N ATOM 662 CA ASP A 48 -1.741 -1.824 -5.472 1.00 0.00 C ATOM 663 C ASP A 48 -2.164 -1.842 -4.013 1.00 0.00 C ATOM 664 O ASP A 48 -3.118 -1.203 -3.616 1.00 0.00 O ATOM 665 CB ASP A 48 -2.070 -3.146 -6.145 1.00 0.00 C ATOM 666 CG ASP A 48 -2.204 -2.935 -7.655 1.00 0.00 C ATOM 667 OD1 ASP A 48 -1.693 -1.939 -8.141 1.00 0.00 O ATOM 668 OD2 ASP A 48 -2.818 -3.770 -8.298 1.00 0.00 O ATOM 0 H ASP A 48 0.230 -2.581 -5.748 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.253 -0.998 -5.965 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.287 -3.876 -5.938 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.998 -3.550 -5.741 1.00 0.00 H new ATOM 673 N ILE A 49 -1.430 -2.551 -3.204 1.00 0.00 N ATOM 674 CA ILE A 49 -1.755 -2.586 -1.758 1.00 0.00 C ATOM 675 C ILE A 49 -1.550 -1.187 -1.201 1.00 0.00 C ATOM 676 O ILE A 49 -2.362 -0.657 -0.468 1.00 0.00 O ATOM 677 CB ILE A 49 -0.753 -3.550 -1.124 1.00 0.00 C ATOM 678 CG1 ILE A 49 -0.721 -4.860 -1.907 1.00 0.00 C ATOM 679 CG2 ILE A 49 -1.163 -3.829 0.320 1.00 0.00 C ATOM 680 CD1 ILE A 49 -2.143 -5.385 -2.101 1.00 0.00 C ATOM 0 H ILE A 49 -0.621 -3.106 -3.483 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.779 -2.904 -1.561 1.00 0.00 H new ATOM 0 HB ILE A 49 0.239 -3.099 -1.144 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.247 -4.703 -2.876 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.121 -5.598 -1.374 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.450 -4.517 0.774 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.175 -2.895 0.882 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.157 -4.275 0.336 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.112 -6.320 -2.660 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.602 -5.559 -1.128 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.730 -4.651 -2.653 1.00 0.00 H new ATOM 692 N LEU A 50 -0.457 -0.584 -1.574 1.00 0.00 N ATOM 693 CA LEU A 50 -0.161 0.792 -1.106 1.00 0.00 C ATOM 694 C LEU A 50 -1.247 1.742 -1.608 1.00 0.00 C ATOM 695 O LEU A 50 -1.428 2.826 -1.090 1.00 0.00 O ATOM 696 CB LEU A 50 1.199 1.138 -1.726 1.00 0.00 C ATOM 697 CG LEU A 50 2.172 -0.038 -1.566 1.00 0.00 C ATOM 698 CD1 LEU A 50 3.609 0.483 -1.629 1.00 0.00 C ATOM 699 CD2 LEU A 50 1.947 -0.734 -0.219 1.00 0.00 C ATOM 0 H LEU A 50 0.248 -0.991 -2.188 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.136 0.875 -0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.075 1.375 -2.783 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.610 2.026 -1.246 1.00 0.00 H new ATOM 0 HG LEU A 50 1.998 -0.753 -2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.303 -0.350 -1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.778 0.968 -2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.771 1.202 -0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.644 -1.566 -0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.112 -0.023 0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.925 -1.109 -0.169 1.00 0.00 H new ATOM 711 N GLY A 51 -1.985 1.332 -2.605 1.00 0.00 N ATOM 712 CA GLY A 51 -3.074 2.203 -3.124 1.00 0.00 C ATOM 713 C GLY A 51 -4.331 1.941 -2.302 1.00 0.00 C ATOM 714 O GLY A 51 -5.146 2.818 -2.085 1.00 0.00 O ATOM 0 H GLY A 51 -1.880 0.435 -3.079 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.787 3.252 -3.054 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.259 1.993 -4.177 1.00 0.00 H new ATOM 718 N ARG A 52 -4.485 0.735 -1.825 1.00 0.00 N ATOM 719 CA ARG A 52 -5.674 0.401 -1.001 1.00 0.00 C ATOM 720 C ARG A 52 -5.326 0.547 0.474 1.00 0.00 C ATOM 721 O ARG A 52 -5.970 1.273 1.205 1.00 0.00 O ATOM 722 CB ARG A 52 -5.994 -1.055 -1.336 1.00 0.00 C ATOM 723 CG ARG A 52 -7.314 -1.129 -2.104 1.00 0.00 C ATOM 724 CD ARG A 52 -7.606 -2.586 -2.473 1.00 0.00 C ATOM 725 NE ARG A 52 -6.821 -2.835 -3.713 1.00 0.00 N ATOM 726 CZ ARG A 52 -7.397 -3.383 -4.749 1.00 0.00 C ATOM 727 NH1 ARG A 52 -8.206 -4.393 -4.585 1.00 0.00 N ATOM 728 NH2 ARG A 52 -7.167 -2.916 -5.945 1.00 0.00 N ATOM 0 H ARG A 52 -3.833 -0.035 -1.974 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.522 1.055 -1.202 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.190 -1.486 -1.933 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.061 -1.643 -0.420 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.124 -0.727 -1.496 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.258 -0.518 -3.005 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.306 -3.263 -1.673 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.671 -2.744 -2.642 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.835 -2.578 -3.753 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.388 -4.754 -3.648 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.657 -4.822 -5.393 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.538 -2.123 -6.071 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.617 -3.344 -6.755 1.00 0.00 H new ATOM 742 N VAL A 53 -4.304 -0.128 0.918 1.00 0.00 N ATOM 743 CA VAL A 53 -3.921 -0.007 2.345 1.00 0.00 C ATOM 744 C VAL A 53 -3.846 1.469 2.722 1.00 0.00 C ATOM 745 O VAL A 53 -4.311 1.877 3.767 1.00 0.00 O ATOM 746 CB VAL A 53 -2.550 -0.669 2.457 1.00 0.00 C ATOM 747 CG1 VAL A 53 -1.903 -0.273 3.785 1.00 0.00 C ATOM 748 CG2 VAL A 53 -2.720 -2.189 2.403 1.00 0.00 C ATOM 0 H VAL A 53 -3.724 -0.752 0.358 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.640 -0.479 3.015 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.915 -0.343 1.633 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.924 -0.744 3.868 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.789 0.810 3.825 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.535 -0.602 4.610 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.744 -2.667 2.483 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.352 -2.514 3.230 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.186 -2.470 1.458 1.00 0.00 H new ATOM 758 N TRP A 54 -3.277 2.282 1.873 1.00 0.00 N ATOM 759 CA TRP A 54 -3.197 3.731 2.193 1.00 0.00 C ATOM 760 C TRP A 54 -4.603 4.323 2.231 1.00 0.00 C ATOM 761 O TRP A 54 -5.034 4.852 3.232 1.00 0.00 O ATOM 762 CB TRP A 54 -2.382 4.367 1.070 1.00 0.00 C ATOM 763 CG TRP A 54 -2.466 5.851 1.215 1.00 0.00 C ATOM 764 CD1 TRP A 54 -3.508 6.609 0.806 1.00 0.00 C ATOM 765 CD2 TRP A 54 -1.503 6.762 1.815 1.00 0.00 C ATOM 766 NE1 TRP A 54 -3.247 7.930 1.118 1.00 0.00 N ATOM 767 CE2 TRP A 54 -2.022 8.076 1.739 1.00 0.00 C ATOM 768 CE3 TRP A 54 -0.244 6.578 2.411 1.00 0.00 C ATOM 769 CZ2 TRP A 54 -1.312 9.170 2.238 1.00 0.00 C ATOM 770 CZ3 TRP A 54 0.472 7.676 2.913 1.00 0.00 C ATOM 771 CH2 TRP A 54 -0.061 8.970 2.827 1.00 0.00 C ATOM 0 H TRP A 54 -2.868 2.006 0.980 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.735 3.910 3.164 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.344 4.038 1.121 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.767 4.058 0.098 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.398 6.243 0.316 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.881 8.702 0.915 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.176 5.585 2.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.727 10.165 2.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.439 7.523 3.368 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.495 9.811 3.215 1.00 0.00 H new ATOM 782 N GLU A 55 -5.330 4.227 1.154 1.00 0.00 N ATOM 783 CA GLU A 55 -6.715 4.776 1.155 1.00 0.00 C ATOM 784 C GLU A 55 -7.470 4.228 2.364 1.00 0.00 C ATOM 785 O GLU A 55 -8.301 4.890 2.952 1.00 0.00 O ATOM 786 CB GLU A 55 -7.348 4.284 -0.145 1.00 0.00 C ATOM 787 CG GLU A 55 -6.753 5.047 -1.329 1.00 0.00 C ATOM 788 CD GLU A 55 -7.581 6.307 -1.592 1.00 0.00 C ATOM 789 OE1 GLU A 55 -7.796 7.056 -0.653 1.00 0.00 O ATOM 790 OE2 GLU A 55 -7.984 6.501 -2.727 1.00 0.00 O ATOM 0 H GLU A 55 -5.029 3.796 0.280 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.737 5.864 1.217 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.173 3.215 -0.264 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.428 4.429 -0.112 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.718 5.316 -1.119 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.744 4.413 -2.216 1.00 0.00 H new ATOM 797 N LEU A 56 -7.170 3.020 2.744 1.00 0.00 N ATOM 798 CA LEU A 56 -7.848 2.414 3.922 1.00 0.00 C ATOM 799 C LEU A 56 -7.105 2.818 5.198 1.00 0.00 C ATOM 800 O LEU A 56 -7.608 2.684 6.296 1.00 0.00 O ATOM 801 CB LEU A 56 -7.753 0.907 3.684 1.00 0.00 C ATOM 802 CG LEU A 56 -8.367 0.569 2.322 1.00 0.00 C ATOM 803 CD1 LEU A 56 -7.670 -0.660 1.740 1.00 0.00 C ATOM 804 CD2 LEU A 56 -9.859 0.275 2.491 1.00 0.00 C ATOM 0 H LEU A 56 -6.481 2.423 2.287 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.882 2.738 4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.711 0.587 3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.276 0.369 4.475 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.238 1.415 1.647 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.107 -0.901 0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.607 -0.452 1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.798 -1.505 2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.295 0.035 1.521 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.989 -0.570 3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.358 1.151 2.906 1.00 0.00 H new ATOM 816 N SER A 57 -5.905 3.315 5.053 1.00 0.00 N ATOM 817 CA SER A 57 -5.113 3.739 6.242 1.00 0.00 C ATOM 818 C SER A 57 -5.188 5.257 6.419 1.00 0.00 C ATOM 819 O SER A 57 -5.106 5.769 7.518 1.00 0.00 O ATOM 820 CB SER A 57 -3.683 3.312 5.928 1.00 0.00 C ATOM 821 OG SER A 57 -3.600 1.895 5.978 1.00 0.00 O ATOM 0 H SER A 57 -5.438 3.446 4.156 1.00 0.00 H new ATOM 0 HA SER A 57 -5.484 3.294 7.165 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.391 3.671 4.941 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.992 3.755 6.645 1.00 0.00 H new ATOM 0 HG SER A 57 -3.626 1.533 5.068 1.00 0.00 H new ATOM 827 N ASP A 58 -5.345 5.981 5.344 1.00 0.00 N ATOM 828 CA ASP A 58 -5.426 7.464 5.451 1.00 0.00 C ATOM 829 C ASP A 58 -6.862 7.884 5.749 1.00 0.00 C ATOM 830 O ASP A 58 -7.518 8.509 4.940 1.00 0.00 O ATOM 831 CB ASP A 58 -4.983 7.994 4.086 1.00 0.00 C ATOM 832 CG ASP A 58 -4.673 9.488 4.196 1.00 0.00 C ATOM 833 OD1 ASP A 58 -4.624 9.984 5.310 1.00 0.00 O ATOM 834 OD2 ASP A 58 -4.491 10.113 3.163 1.00 0.00 O ATOM 0 H ASP A 58 -5.421 5.609 4.397 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.802 7.855 6.254 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.101 7.453 3.742 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.767 7.828 3.347 1.00 0.00 H new ATOM 839 N ILE A 59 -7.350 7.540 6.907 1.00 0.00 N ATOM 840 CA ILE A 59 -8.744 7.911 7.275 1.00 0.00 C ATOM 841 C ILE A 59 -9.054 9.331 6.805 1.00 0.00 C ATOM 842 O ILE A 59 -10.185 9.674 6.526 1.00 0.00 O ATOM 843 CB ILE A 59 -8.780 7.854 8.799 1.00 0.00 C ATOM 844 CG1 ILE A 59 -8.520 6.424 9.282 1.00 0.00 C ATOM 845 CG2 ILE A 59 -10.155 8.312 9.278 1.00 0.00 C ATOM 846 CD1 ILE A 59 -9.572 5.480 8.699 1.00 0.00 C ATOM 0 H ILE A 59 -6.841 7.015 7.618 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.477 7.247 6.816 1.00 0.00 H new ATOM 0 HB ILE A 59 -8.006 8.506 9.204 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.523 6.104 8.979 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.549 6.387 10.371 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -10.192 8.275 10.367 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -10.335 9.334 8.943 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -10.921 7.655 8.867 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -9.382 4.464 9.046 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -10.564 5.795 9.024 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.522 5.507 7.610 1.00 0.00 H new ATOM 858 N ASP A 60 -8.055 10.165 6.733 1.00 0.00 N ATOM 859 CA ASP A 60 -8.287 11.574 6.300 1.00 0.00 C ATOM 860 C ASP A 60 -8.167 11.703 4.777 1.00 0.00 C ATOM 861 O ASP A 60 -8.782 12.557 4.171 1.00 0.00 O ATOM 862 CB ASP A 60 -7.190 12.373 7.005 1.00 0.00 C ATOM 863 CG ASP A 60 -7.028 13.739 6.339 1.00 0.00 C ATOM 864 OD1 ASP A 60 -7.970 14.184 5.703 1.00 0.00 O ATOM 865 OD2 ASP A 60 -5.962 14.318 6.477 1.00 0.00 O ATOM 0 H ASP A 60 -7.087 9.933 6.955 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.286 11.929 6.554 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -7.441 12.500 8.058 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.248 11.826 6.966 1.00 0.00 H new ATOM 870 N HIS A 61 -7.382 10.867 4.153 1.00 0.00 N ATOM 871 CA HIS A 61 -7.230 10.951 2.669 1.00 0.00 C ATOM 872 C HIS A 61 -6.768 12.352 2.267 1.00 0.00 C ATOM 873 O HIS A 61 -7.346 12.984 1.404 1.00 0.00 O ATOM 874 CB HIS A 61 -8.621 10.669 2.101 1.00 0.00 C ATOM 875 CG HIS A 61 -8.985 9.232 2.349 1.00 0.00 C ATOM 876 ND1 HIS A 61 -8.717 8.233 1.426 1.00 0.00 N ATOM 877 CD2 HIS A 61 -9.604 8.610 3.405 1.00 0.00 C ATOM 878 CE1 HIS A 61 -9.171 7.075 1.939 1.00 0.00 C ATOM 879 NE2 HIS A 61 -9.720 7.249 3.144 1.00 0.00 N ATOM 0 H HIS A 61 -6.840 10.130 4.604 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.489 10.245 2.294 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -9.355 11.326 2.567 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -8.638 10.880 1.032 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -8.259 8.354 0.523 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -9.948 9.103 4.302 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -9.100 6.121 1.438 1.00 0.00 H new ATOM 887 N ASP A 62 -5.734 12.844 2.887 1.00 0.00 N ATOM 888 CA ASP A 62 -5.239 14.207 2.544 1.00 0.00 C ATOM 889 C ASP A 62 -3.801 14.137 2.020 1.00 0.00 C ATOM 890 O ASP A 62 -3.265 15.105 1.519 1.00 0.00 O ATOM 891 CB ASP A 62 -5.304 14.982 3.862 1.00 0.00 C ATOM 892 CG ASP A 62 -4.098 14.626 4.738 1.00 0.00 C ATOM 893 OD1 ASP A 62 -3.572 13.537 4.573 1.00 0.00 O ATOM 894 OD2 ASP A 62 -3.723 15.447 5.558 1.00 0.00 O ATOM 0 H ASP A 62 -5.209 12.362 3.617 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.829 14.682 1.760 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.316 16.054 3.663 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.229 14.745 4.388 1.00 0.00 H new ATOM 899 N GLY A 63 -3.173 13.000 2.139 1.00 0.00 N ATOM 900 CA GLY A 63 -1.771 12.868 1.656 1.00 0.00 C ATOM 901 C GLY A 63 -0.853 12.566 2.842 1.00 0.00 C ATOM 902 O GLY A 63 0.356 12.566 2.722 1.00 0.00 O ATOM 0 H GLY A 63 -3.571 12.156 2.550 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.703 12.070 0.916 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.456 13.788 1.163 1.00 0.00 H new ATOM 906 N MET A 64 -1.420 12.304 3.989 1.00 0.00 N ATOM 907 CA MET A 64 -0.583 11.997 5.182 1.00 0.00 C ATOM 908 C MET A 64 -1.252 10.911 6.034 1.00 0.00 C ATOM 909 O MET A 64 -2.438 10.673 5.931 1.00 0.00 O ATOM 910 CB MET A 64 -0.501 13.300 5.978 1.00 0.00 C ATOM 911 CG MET A 64 0.169 14.388 5.143 1.00 0.00 C ATOM 912 SD MET A 64 0.652 15.760 6.219 1.00 0.00 S ATOM 913 CE MET A 64 2.442 15.535 6.082 1.00 0.00 C ATOM 0 H MET A 64 -2.427 12.290 4.150 1.00 0.00 H new ATOM 0 HA MET A 64 0.403 11.631 4.895 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.501 13.620 6.270 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.062 13.138 6.897 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.045 13.984 4.635 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.514 14.741 4.370 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.951 16.405 6.498 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.740 14.643 6.633 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.715 15.422 5.033 1.00 0.00 H new ATOM 923 N LEU A 65 -0.502 10.262 6.881 1.00 0.00 N ATOM 924 CA LEU A 65 -1.094 9.203 7.751 1.00 0.00 C ATOM 925 C LEU A 65 -0.883 9.565 9.224 1.00 0.00 C ATOM 926 O LEU A 65 0.210 9.456 9.745 1.00 0.00 O ATOM 927 CB LEU A 65 -0.313 7.929 7.419 1.00 0.00 C ATOM 928 CG LEU A 65 -0.900 7.259 6.179 1.00 0.00 C ATOM 929 CD1 LEU A 65 -0.221 5.903 5.971 1.00 0.00 C ATOM 930 CD2 LEU A 65 -2.403 7.052 6.374 1.00 0.00 C ATOM 0 H LEU A 65 0.498 10.419 7.010 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.165 9.087 7.585 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.736 8.171 7.248 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.348 7.241 8.264 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.732 7.891 5.307 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.636 5.420 5.087 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.850 6.050 5.835 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.393 5.272 6.843 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.822 6.574 5.489 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.573 6.418 7.244 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.886 8.017 6.528 1.00 0.00 H new ATOM 942 N ASP A 66 -1.908 9.994 9.904 1.00 0.00 N ATOM 943 CA ASP A 66 -1.735 10.353 11.340 1.00 0.00 C ATOM 944 C ASP A 66 -1.559 9.093 12.182 1.00 0.00 C ATOM 945 O ASP A 66 -1.717 7.984 11.713 1.00 0.00 O ATOM 946 CB ASP A 66 -3.016 11.091 11.735 1.00 0.00 C ATOM 947 CG ASP A 66 -3.204 11.054 13.255 1.00 0.00 C ATOM 948 OD1 ASP A 66 -2.280 11.432 13.955 1.00 0.00 O ATOM 949 OD2 ASP A 66 -4.270 10.651 13.692 1.00 0.00 O ATOM 0 H ASP A 66 -2.851 10.111 9.533 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.851 10.970 11.502 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.968 12.125 11.393 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.874 10.632 11.244 1.00 0.00 H new ATOM 954 N ARG A 67 -1.232 9.269 13.426 1.00 0.00 N ATOM 955 CA ARG A 67 -1.038 8.095 14.325 1.00 0.00 C ATOM 956 C ARG A 67 -2.175 7.084 14.151 1.00 0.00 C ATOM 957 O ARG A 67 -1.960 5.888 14.157 1.00 0.00 O ATOM 958 CB ARG A 67 -1.053 8.678 15.736 1.00 0.00 C ATOM 959 CG ARG A 67 -2.453 9.202 16.058 1.00 0.00 C ATOM 960 CD ARG A 67 -2.421 9.959 17.389 1.00 0.00 C ATOM 961 NE ARG A 67 -1.492 11.100 17.160 1.00 0.00 N ATOM 962 CZ ARG A 67 -1.333 12.011 18.082 1.00 0.00 C ATOM 963 NH1 ARG A 67 -2.242 12.930 18.256 1.00 0.00 N ATOM 964 NH2 ARG A 67 -0.264 12.001 18.831 1.00 0.00 N ATOM 0 H ARG A 67 -1.089 10.178 13.865 1.00 0.00 H new ATOM 0 HA ARG A 67 -0.113 7.561 14.107 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.764 7.915 16.459 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.324 9.485 15.815 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.799 9.860 15.261 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.159 8.373 16.116 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.415 10.309 17.668 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.069 9.320 18.199 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.979 11.170 16.281 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.078 12.938 17.672 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.117 13.641 18.976 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.447 11.282 18.696 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.139 12.712 19.551 1.00 0.00 H new ATOM 978 N ASP A 68 -3.382 7.552 14.003 1.00 0.00 N ATOM 979 CA ASP A 68 -4.530 6.613 13.836 1.00 0.00 C ATOM 980 C ASP A 68 -4.630 6.144 12.384 1.00 0.00 C ATOM 981 O ASP A 68 -5.038 5.034 12.108 1.00 0.00 O ATOM 982 CB ASP A 68 -5.767 7.426 14.224 1.00 0.00 C ATOM 983 CG ASP A 68 -7.010 6.537 14.135 1.00 0.00 C ATOM 984 OD1 ASP A 68 -6.874 5.341 14.335 1.00 0.00 O ATOM 985 OD2 ASP A 68 -8.075 7.068 13.865 1.00 0.00 O ATOM 0 H ASP A 68 -3.625 8.542 13.990 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.420 5.718 14.448 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.657 7.815 15.236 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.873 8.285 13.562 1.00 0.00 H new ATOM 990 N GLU A 69 -4.253 6.976 11.456 1.00 0.00 N ATOM 991 CA GLU A 69 -4.319 6.567 10.024 1.00 0.00 C ATOM 992 C GLU A 69 -3.138 5.660 9.707 1.00 0.00 C ATOM 993 O GLU A 69 -3.267 4.658 9.031 1.00 0.00 O ATOM 994 CB GLU A 69 -4.217 7.867 9.229 1.00 0.00 C ATOM 995 CG GLU A 69 -5.204 8.888 9.792 1.00 0.00 C ATOM 996 CD GLU A 69 -5.218 10.131 8.897 1.00 0.00 C ATOM 997 OE1 GLU A 69 -5.542 9.991 7.729 1.00 0.00 O ATOM 998 OE2 GLU A 69 -4.903 11.200 9.393 1.00 0.00 O ATOM 0 H GLU A 69 -3.903 7.919 11.624 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.232 6.022 9.785 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.202 8.259 9.282 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.432 7.680 8.177 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.202 8.454 9.845 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.921 9.162 10.808 1.00 0.00 H new ATOM 1005 N PHE A 70 -1.985 6.003 10.202 1.00 0.00 N ATOM 1006 CA PHE A 70 -0.789 5.165 9.948 1.00 0.00 C ATOM 1007 C PHE A 70 -0.957 3.819 10.645 1.00 0.00 C ATOM 1008 O PHE A 70 -0.426 2.819 10.217 1.00 0.00 O ATOM 1009 CB PHE A 70 0.379 5.945 10.552 1.00 0.00 C ATOM 1010 CG PHE A 70 1.680 5.310 10.126 1.00 0.00 C ATOM 1011 CD1 PHE A 70 2.237 4.278 10.889 1.00 0.00 C ATOM 1012 CD2 PHE A 70 2.326 5.750 8.965 1.00 0.00 C ATOM 1013 CE1 PHE A 70 3.441 3.686 10.493 1.00 0.00 C ATOM 1014 CE2 PHE A 70 3.529 5.159 8.568 1.00 0.00 C ATOM 1015 CZ PHE A 70 4.087 4.127 9.331 1.00 0.00 C ATOM 0 H PHE A 70 -1.821 6.832 10.774 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.631 4.965 8.888 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.345 6.984 10.225 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.303 5.951 11.639 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.737 3.938 11.784 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.895 6.546 8.376 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.872 2.890 11.082 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.028 5.499 7.672 1.00 0.00 H new ATOM 0 HZ PHE A 70 5.016 3.670 9.024 1.00 0.00 H new ATOM 1025 N ALA A 71 -1.700 3.784 11.717 1.00 0.00 N ATOM 1026 CA ALA A 71 -1.897 2.490 12.434 1.00 0.00 C ATOM 1027 C ALA A 71 -2.676 1.516 11.551 1.00 0.00 C ATOM 1028 O ALA A 71 -2.268 0.391 11.327 1.00 0.00 O ATOM 1029 CB ALA A 71 -2.704 2.844 13.685 1.00 0.00 C ATOM 0 H ALA A 71 -2.176 4.588 12.126 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.952 2.009 12.685 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.889 1.941 14.266 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.143 3.556 14.290 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.655 3.288 13.391 1.00 0.00 H new ATOM 1035 N VAL A 72 -3.793 1.948 11.044 1.00 0.00 N ATOM 1036 CA VAL A 72 -4.612 1.064 10.170 1.00 0.00 C ATOM 1037 C VAL A 72 -3.771 0.553 8.993 1.00 0.00 C ATOM 1038 O VAL A 72 -4.086 -0.449 8.379 1.00 0.00 O ATOM 1039 CB VAL A 72 -5.743 1.964 9.668 1.00 0.00 C ATOM 1040 CG1 VAL A 72 -6.626 1.191 8.687 1.00 0.00 C ATOM 1041 CG2 VAL A 72 -6.594 2.433 10.854 1.00 0.00 C ATOM 0 H VAL A 72 -4.177 2.880 11.197 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.984 0.185 10.696 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.312 2.828 9.163 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.429 1.837 8.333 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.026 0.861 7.839 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.053 0.323 9.189 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.399 3.074 10.494 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.019 1.567 11.362 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.970 2.992 11.551 1.00 0.00 H new ATOM 1051 N ALA A 73 -2.708 1.244 8.665 1.00 0.00 N ATOM 1052 CA ALA A 73 -1.855 0.810 7.516 1.00 0.00 C ATOM 1053 C ALA A 73 -0.740 -0.134 7.963 1.00 0.00 C ATOM 1054 O ALA A 73 -0.111 -0.781 7.150 1.00 0.00 O ATOM 1055 CB ALA A 73 -1.246 2.098 6.972 1.00 0.00 C ATOM 0 H ALA A 73 -2.394 2.089 9.142 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.442 0.267 6.776 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.603 1.866 6.123 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.042 2.770 6.652 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.657 2.580 7.752 1.00 0.00 H new ATOM 1061 N MET A 74 -0.470 -0.219 9.234 1.00 0.00 N ATOM 1062 CA MET A 74 0.627 -1.128 9.677 1.00 0.00 C ATOM 1063 C MET A 74 0.123 -2.565 9.725 1.00 0.00 C ATOM 1064 O MET A 74 0.795 -3.480 9.293 1.00 0.00 O ATOM 1065 CB MET A 74 1.053 -0.639 11.066 1.00 0.00 C ATOM 1066 CG MET A 74 1.369 0.874 11.065 1.00 0.00 C ATOM 1067 SD MET A 74 1.786 1.482 9.401 1.00 0.00 S ATOM 1068 CE MET A 74 3.230 0.437 9.113 1.00 0.00 C ATOM 0 H MET A 74 -0.950 0.291 9.976 1.00 0.00 H new ATOM 0 HA MET A 74 1.473 -1.112 8.990 1.00 0.00 H new ATOM 0 HB2 MET A 74 0.259 -0.845 11.784 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.932 -1.194 11.394 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.509 1.424 11.447 1.00 0.00 H new ATOM 0 HG3 MET A 74 2.200 1.071 11.742 1.00 0.00 H new ATOM 0 HE1 MET A 74 4.054 1.048 8.744 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.524 -0.042 10.047 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.985 -0.326 8.375 1.00 0.00 H new ATOM 1078 N PHE A 75 -1.063 -2.773 10.213 1.00 0.00 N ATOM 1079 CA PHE A 75 -1.603 -4.158 10.240 1.00 0.00 C ATOM 1080 C PHE A 75 -2.079 -4.504 8.825 1.00 0.00 C ATOM 1081 O PHE A 75 -2.171 -5.654 8.444 1.00 0.00 O ATOM 1082 CB PHE A 75 -2.757 -4.130 11.252 1.00 0.00 C ATOM 1083 CG PHE A 75 -4.044 -3.759 10.560 1.00 0.00 C ATOM 1084 CD1 PHE A 75 -4.851 -4.758 10.003 1.00 0.00 C ATOM 1085 CD2 PHE A 75 -4.424 -2.418 10.468 1.00 0.00 C ATOM 1086 CE1 PHE A 75 -6.040 -4.412 9.353 1.00 0.00 C ATOM 1087 CE2 PHE A 75 -5.609 -2.072 9.818 1.00 0.00 C ATOM 1088 CZ PHE A 75 -6.419 -3.070 9.259 1.00 0.00 C ATOM 0 H PHE A 75 -1.678 -2.053 10.591 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.874 -4.913 10.534 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.858 -5.106 11.727 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.540 -3.412 12.043 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.556 -5.794 10.075 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.801 -1.649 10.900 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.665 -5.181 8.924 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -5.902 -1.035 9.746 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.336 -2.802 8.756 1.00 0.00 H new ATOM 1098 N LEU A 76 -2.359 -3.492 8.042 1.00 0.00 N ATOM 1099 CA LEU A 76 -2.805 -3.714 6.638 1.00 0.00 C ATOM 1100 C LEU A 76 -1.599 -4.098 5.785 1.00 0.00 C ATOM 1101 O LEU A 76 -1.705 -4.837 4.826 1.00 0.00 O ATOM 1102 CB LEU A 76 -3.377 -2.369 6.191 1.00 0.00 C ATOM 1103 CG LEU A 76 -4.896 -2.380 6.368 1.00 0.00 C ATOM 1104 CD1 LEU A 76 -5.441 -0.958 6.228 1.00 0.00 C ATOM 1105 CD2 LEU A 76 -5.528 -3.274 5.299 1.00 0.00 C ATOM 0 H LEU A 76 -2.296 -2.513 8.321 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.540 -4.513 6.544 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.937 -1.562 6.776 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.123 -2.182 5.148 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.141 -2.765 7.358 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.524 -0.969 6.355 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.993 -0.320 6.990 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.195 -0.570 5.240 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.611 -3.282 5.425 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.281 -2.889 4.310 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.144 -4.289 5.400 1.00 0.00 H new ATOM 1117 N VAL A 77 -0.447 -3.600 6.140 1.00 0.00 N ATOM 1118 CA VAL A 77 0.784 -3.926 5.371 1.00 0.00 C ATOM 1119 C VAL A 77 1.445 -5.172 5.954 1.00 0.00 C ATOM 1120 O VAL A 77 2.224 -5.833 5.300 1.00 0.00 O ATOM 1121 CB VAL A 77 1.687 -2.703 5.547 1.00 0.00 C ATOM 1122 CG1 VAL A 77 3.101 -3.032 5.062 1.00 0.00 C ATOM 1123 CG2 VAL A 77 1.130 -1.536 4.729 1.00 0.00 C ATOM 0 H VAL A 77 -0.306 -2.977 6.935 1.00 0.00 H new ATOM 0 HA VAL A 77 0.581 -4.135 4.321 1.00 0.00 H new ATOM 0 HB VAL A 77 1.720 -2.429 6.601 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.741 -2.159 5.189 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.501 -3.863 5.643 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.069 -3.309 4.008 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.773 -0.665 4.854 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.096 -1.814 3.676 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.124 -1.297 5.074 1.00 0.00 H new ATOM 1133 N TYR A 78 1.134 -5.500 7.177 1.00 0.00 N ATOM 1134 CA TYR A 78 1.739 -6.711 7.796 1.00 0.00 C ATOM 1135 C TYR A 78 0.848 -7.924 7.530 1.00 0.00 C ATOM 1136 O TYR A 78 1.294 -9.053 7.551 1.00 0.00 O ATOM 1137 CB TYR A 78 1.809 -6.405 9.291 1.00 0.00 C ATOM 1138 CG TYR A 78 3.242 -6.134 9.671 1.00 0.00 C ATOM 1139 CD1 TYR A 78 4.231 -7.084 9.386 1.00 0.00 C ATOM 1140 CD2 TYR A 78 3.584 -4.934 10.304 1.00 0.00 C ATOM 1141 CE1 TYR A 78 5.564 -6.830 9.734 1.00 0.00 C ATOM 1142 CE2 TYR A 78 4.915 -4.682 10.653 1.00 0.00 C ATOM 1143 CZ TYR A 78 5.906 -5.630 10.368 1.00 0.00 C ATOM 1144 OH TYR A 78 7.219 -5.381 10.711 1.00 0.00 O ATOM 0 H TYR A 78 0.488 -4.983 7.773 1.00 0.00 H new ATOM 0 HA TYR A 78 2.724 -6.941 7.390 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.187 -5.542 9.528 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.420 -7.245 9.866 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.966 -8.011 8.899 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.820 -4.202 10.523 1.00 0.00 H new ATOM 0 HE1 TYR A 78 6.328 -7.561 9.513 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.179 -3.756 11.142 1.00 0.00 H new ATOM 0 HH TYR A 78 7.284 -4.503 11.142 1.00 0.00 H new ATOM 1154 N CYS A 79 -0.409 -7.694 7.272 1.00 0.00 N ATOM 1155 CA CYS A 79 -1.329 -8.831 6.995 1.00 0.00 C ATOM 1156 C CYS A 79 -1.272 -9.191 5.511 1.00 0.00 C ATOM 1157 O CYS A 79 -1.657 -10.270 5.108 1.00 0.00 O ATOM 1158 CB CYS A 79 -2.721 -8.324 7.371 1.00 0.00 C ATOM 1159 SG CYS A 79 -3.066 -8.727 9.101 1.00 0.00 S ATOM 0 H CYS A 79 -0.838 -6.769 7.241 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.063 -9.727 7.556 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.780 -7.246 7.219 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.472 -8.778 6.724 1.00 0.00 H new ATOM 0 HG CYS A 79 -4.249 -8.293 9.420 1.00 0.00 H new ATOM 1165 N ALA A 80 -0.775 -8.297 4.697 1.00 0.00 N ATOM 1166 CA ALA A 80 -0.677 -8.591 3.240 1.00 0.00 C ATOM 1167 C ALA A 80 0.604 -9.375 2.972 1.00 0.00 C ATOM 1168 O ALA A 80 0.827 -9.882 1.890 1.00 0.00 O ATOM 1169 CB ALA A 80 -0.626 -7.224 2.557 1.00 0.00 C ATOM 0 H ALA A 80 -0.434 -7.378 4.979 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.512 -9.188 2.872 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.553 -7.359 1.478 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.532 -6.666 2.793 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.244 -6.672 2.913 1.00 0.00 H new ATOM 1175 N LEU A 81 1.445 -9.479 3.962 1.00 0.00 N ATOM 1176 CA LEU A 81 2.717 -10.228 3.794 1.00 0.00 C ATOM 1177 C LEU A 81 2.490 -11.689 4.156 1.00 0.00 C ATOM 1178 O LEU A 81 2.898 -12.592 3.453 1.00 0.00 O ATOM 1179 CB LEU A 81 3.688 -9.582 4.788 1.00 0.00 C ATOM 1180 CG LEU A 81 3.485 -8.064 4.834 1.00 0.00 C ATOM 1181 CD1 LEU A 81 4.757 -7.398 5.359 1.00 0.00 C ATOM 1182 CD2 LEU A 81 3.175 -7.533 3.431 1.00 0.00 C ATOM 0 H LEU A 81 1.303 -9.073 4.887 1.00 0.00 H new ATOM 0 HA LEU A 81 3.097 -10.193 2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.535 -10.005 5.781 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.715 -9.808 4.500 1.00 0.00 H new ATOM 0 HG LEU A 81 2.649 -7.835 5.495 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.615 -6.318 5.393 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.974 -7.767 6.362 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.591 -7.634 4.698 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.032 -6.453 3.474 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.005 -7.763 2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.267 -8.004 3.056 1.00 0.00 H new ATOM 1194 N GLU A 82 1.830 -11.920 5.252 1.00 0.00 N ATOM 1195 CA GLU A 82 1.559 -13.316 5.673 1.00 0.00 C ATOM 1196 C GLU A 82 0.543 -13.949 4.727 1.00 0.00 C ATOM 1197 O GLU A 82 0.774 -15.003 4.169 1.00 0.00 O ATOM 1198 CB GLU A 82 0.986 -13.201 7.087 1.00 0.00 C ATOM 1199 CG GLU A 82 2.084 -12.732 8.044 1.00 0.00 C ATOM 1200 CD GLU A 82 1.499 -12.553 9.446 1.00 0.00 C ATOM 1201 OE1 GLU A 82 1.139 -13.552 10.048 1.00 0.00 O ATOM 1202 OE2 GLU A 82 1.421 -11.422 9.894 1.00 0.00 O ATOM 0 H GLU A 82 1.466 -11.200 5.876 1.00 0.00 H new ATOM 0 HA GLU A 82 2.451 -13.942 5.652 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.154 -12.497 7.098 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.593 -14.164 7.411 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.895 -13.459 8.067 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.509 -11.792 7.693 1.00 0.00 H new ATOM 1260 N VAL A 86 -5.914 -6.961 1.307 1.00 0.00 N ATOM 1261 CA VAL A 86 -6.592 -5.714 1.761 1.00 0.00 C ATOM 1262 C VAL A 86 -7.990 -5.644 1.145 1.00 0.00 C ATOM 1263 O VAL A 86 -8.211 -6.152 0.064 1.00 0.00 O ATOM 1264 CB VAL A 86 -5.708 -4.581 1.238 1.00 0.00 C ATOM 1265 CG1 VAL A 86 -6.287 -3.232 1.664 1.00 0.00 C ATOM 1266 CG2 VAL A 86 -4.298 -4.734 1.812 1.00 0.00 C ATOM 0 HA VAL A 86 -6.715 -5.662 2.843 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.669 -4.627 0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.653 -2.429 1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.292 -3.122 1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.330 -3.182 2.752 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.665 -3.928 1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.341 -4.690 2.900 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.882 -5.693 1.504 1.00 0.00 H new ATOM 1276 N PRO A 87 -8.897 -5.022 1.851 1.00 0.00 N ATOM 1277 CA PRO A 87 -10.276 -4.907 1.347 1.00 0.00 C ATOM 1278 C PRO A 87 -10.368 -3.776 0.328 1.00 0.00 C ATOM 1279 O PRO A 87 -9.371 -3.301 -0.180 1.00 0.00 O ATOM 1280 CB PRO A 87 -11.092 -4.597 2.596 1.00 0.00 C ATOM 1281 CG PRO A 87 -10.131 -3.969 3.559 1.00 0.00 C ATOM 1282 CD PRO A 87 -8.733 -4.375 3.157 1.00 0.00 C ATOM 0 HA PRO A 87 -10.628 -5.803 0.836 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -11.916 -3.921 2.368 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -11.529 -5.504 3.014 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -10.231 -2.884 3.544 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -10.344 -4.295 4.577 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.073 -3.510 3.091 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.293 -5.057 3.885 1.00 0.00 H new ATOM 1290 N MET A 88 -11.554 -3.348 0.012 1.00 0.00 N ATOM 1291 CA MET A 88 -11.700 -2.255 -0.988 1.00 0.00 C ATOM 1292 C MET A 88 -12.222 -0.975 -0.333 1.00 0.00 C ATOM 1293 O MET A 88 -12.465 0.011 -0.999 1.00 0.00 O ATOM 1294 CB MET A 88 -12.711 -2.785 -2.001 1.00 0.00 C ATOM 1295 CG MET A 88 -12.709 -1.885 -3.239 1.00 0.00 C ATOM 1296 SD MET A 88 -14.393 -1.317 -3.576 1.00 0.00 S ATOM 1297 CE MET A 88 -14.008 0.444 -3.737 1.00 0.00 C ATOM 0 H MET A 88 -12.427 -3.705 0.400 1.00 0.00 H new ATOM 0 HA MET A 88 -10.746 -1.997 -1.448 1.00 0.00 H new ATOM 0 HB2 MET A 88 -12.460 -3.808 -2.281 1.00 0.00 H new ATOM 0 HB3 MET A 88 -13.707 -2.811 -1.558 1.00 0.00 H new ATOM 0 HG2 MET A 88 -12.051 -1.031 -3.079 1.00 0.00 H new ATOM 0 HG3 MET A 88 -12.320 -2.431 -4.098 1.00 0.00 H new ATOM 0 HE1 MET A 88 -14.781 0.933 -4.330 1.00 0.00 H new ATOM 0 HE2 MET A 88 -13.967 0.899 -2.748 1.00 0.00 H new ATOM 0 HE3 MET A 88 -13.043 0.562 -4.231 1.00 0.00 H new ATOM 1307 N SER A 89 -12.405 -0.969 0.960 1.00 0.00 N ATOM 1308 CA SER A 89 -12.916 0.272 1.613 1.00 0.00 C ATOM 1309 C SER A 89 -13.014 0.113 3.122 1.00 0.00 C ATOM 1310 O SER A 89 -13.829 0.732 3.776 1.00 0.00 O ATOM 1311 CB SER A 89 -14.293 0.465 1.017 1.00 0.00 C ATOM 1312 OG SER A 89 -14.339 1.697 0.310 1.00 0.00 O ATOM 0 H SER A 89 -12.226 -1.756 1.584 1.00 0.00 H new ATOM 0 HA SER A 89 -12.253 1.120 1.444 1.00 0.00 H new ATOM 0 HB2 SER A 89 -14.528 -0.360 0.345 1.00 0.00 H new ATOM 0 HB3 SER A 89 -15.046 0.458 1.805 1.00 0.00 H new ATOM 0 HG SER A 89 -13.729 1.657 -0.456 1.00 0.00 H new ATOM 1318 N LEU A 90 -12.183 -0.702 3.666 1.00 0.00 N ATOM 1319 CA LEU A 90 -12.187 -0.918 5.142 1.00 0.00 C ATOM 1320 C LEU A 90 -13.563 -1.398 5.610 1.00 0.00 C ATOM 1321 O LEU A 90 -14.549 -0.706 5.447 1.00 0.00 O ATOM 1322 CB LEU A 90 -11.890 0.458 5.755 1.00 0.00 C ATOM 1323 CG LEU A 90 -10.381 0.708 5.830 1.00 0.00 C ATOM 1324 CD1 LEU A 90 -10.114 1.920 6.725 1.00 0.00 C ATOM 1325 CD2 LEU A 90 -9.675 -0.518 6.419 1.00 0.00 C ATOM 0 H LEU A 90 -11.485 -1.242 3.155 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.458 -1.673 5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -12.363 1.237 5.157 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -12.323 0.517 6.754 1.00 0.00 H new ATOM 0 HG LEU A 90 -9.999 0.895 4.826 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -9.041 2.101 6.781 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -10.609 2.797 6.307 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -10.502 1.726 7.725 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -8.602 -0.331 6.469 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.056 -0.711 7.422 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.863 -1.385 5.786 1.00 0.00 H new ATOM 1337 N PRO A 91 -13.585 -2.557 6.204 1.00 0.00 N ATOM 1338 CA PRO A 91 -14.855 -3.108 6.727 1.00 0.00 C ATOM 1339 C PRO A 91 -15.295 -2.288 7.946 1.00 0.00 C ATOM 1340 O PRO A 91 -14.604 -1.375 8.352 1.00 0.00 O ATOM 1341 CB PRO A 91 -14.497 -4.547 7.096 1.00 0.00 C ATOM 1342 CG PRO A 91 -13.023 -4.535 7.322 1.00 0.00 C ATOM 1343 CD PRO A 91 -12.448 -3.453 6.447 1.00 0.00 C ATOM 0 HA PRO A 91 -15.686 -3.072 6.023 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -15.030 -4.869 7.990 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -14.768 -5.238 6.297 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -12.796 -4.343 8.371 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -12.588 -5.503 7.074 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -11.627 -2.933 6.941 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -12.053 -3.859 5.516 1.00 0.00 H new ATOM 1351 N PRO A 92 -16.438 -2.619 8.479 1.00 0.00 N ATOM 1352 CA PRO A 92 -16.972 -1.871 9.649 1.00 0.00 C ATOM 1353 C PRO A 92 -16.096 -2.053 10.891 1.00 0.00 C ATOM 1354 O PRO A 92 -16.276 -1.380 11.886 1.00 0.00 O ATOM 1355 CB PRO A 92 -18.354 -2.483 9.858 1.00 0.00 C ATOM 1356 CG PRO A 92 -18.262 -3.841 9.243 1.00 0.00 C ATOM 1357 CD PRO A 92 -17.337 -3.703 8.067 1.00 0.00 C ATOM 0 HA PRO A 92 -16.999 -0.795 9.479 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -18.605 -2.544 10.917 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -19.129 -1.883 9.381 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -17.877 -4.568 9.958 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -19.244 -4.193 8.927 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -16.792 -4.627 7.872 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -17.879 -3.453 7.155 1.00 0.00 H new ATOM 1365 N ALA A 93 -15.155 -2.946 10.848 1.00 0.00 N ATOM 1366 CA ALA A 93 -14.281 -3.150 12.039 1.00 0.00 C ATOM 1367 C ALA A 93 -12.957 -2.404 11.869 1.00 0.00 C ATOM 1368 O ALA A 93 -12.070 -2.515 12.688 1.00 0.00 O ATOM 1369 CB ALA A 93 -14.028 -4.655 12.096 1.00 0.00 C ATOM 0 H ALA A 93 -14.950 -3.543 10.047 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.746 -2.773 12.950 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -13.390 -4.885 12.949 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.978 -5.180 12.201 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -13.536 -4.976 11.178 1.00 0.00 H new ATOM 1375 N LEU A 94 -12.804 -1.658 10.809 1.00 0.00 N ATOM 1376 CA LEU A 94 -11.514 -0.936 10.602 1.00 0.00 C ATOM 1377 C LEU A 94 -11.720 0.582 10.601 1.00 0.00 C ATOM 1378 O LEU A 94 -11.096 1.292 9.836 1.00 0.00 O ATOM 1379 CB LEU A 94 -11.021 -1.384 9.224 1.00 0.00 C ATOM 1380 CG LEU A 94 -10.220 -2.684 9.329 1.00 0.00 C ATOM 1381 CD1 LEU A 94 -9.036 -2.499 10.288 1.00 0.00 C ATOM 1382 CD2 LEU A 94 -11.135 -3.807 9.827 1.00 0.00 C ATOM 0 H LEU A 94 -13.507 -1.517 10.084 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.806 -1.161 11.400 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -11.872 -1.529 8.558 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -10.400 -0.604 8.784 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.830 -2.948 8.346 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.473 -3.430 10.355 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.386 -1.708 9.915 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -9.407 -2.227 11.276 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.566 -4.734 9.902 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -11.533 -3.545 10.807 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -11.959 -3.943 9.126 1.00 0.00 H new ATOM 1394 N VAL A 95 -12.574 1.091 11.438 1.00 0.00 N ATOM 1395 CA VAL A 95 -12.786 2.566 11.453 1.00 0.00 C ATOM 1396 C VAL A 95 -13.102 3.051 12.872 1.00 0.00 C ATOM 1397 O VAL A 95 -14.115 2.695 13.441 1.00 0.00 O ATOM 1398 CB VAL A 95 -13.970 2.808 10.516 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -15.264 2.346 11.187 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -14.066 4.302 10.194 1.00 0.00 C ATOM 0 H VAL A 95 -13.131 0.559 12.107 1.00 0.00 H new ATOM 0 HA VAL A 95 -11.898 3.111 11.132 1.00 0.00 H new ATOM 0 HB VAL A 95 -13.823 2.244 9.595 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -16.105 2.521 10.515 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -15.196 1.282 11.414 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -15.415 2.905 12.110 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -14.909 4.477 9.526 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -14.211 4.864 11.116 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -13.146 4.630 9.710 1.00 0.00 H new