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= 0.163 USER MOD Set 1.2: A 64 MET CE :methyl -174:sc= -0.0184 (180deg=-0.0637) USER MOD Set 2.1: A 42 ASN :FLIP amide:sc= -2.56! C(o=-5.7!,f=-2.6!) USER MOD Set 2.2: A 43 SER OG : rot 147:sc= 0.00173 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 162:sc= 0.702 (180deg=0.253) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 150:sc= 0 USER MOD Single : A 23 SER OG : rot -26:sc= 0.22! USER MOD Single : A 25 SER OG : rot 103:sc= -0.348! USER MOD Single : A 28 ASN :FLIP amide:sc=-0.00715 F(o=-3.3!,f=-0.0072) USER MOD Single : A 35 LYS NZ :NH3+ 169:sc= -0.03 (180deg=-0.0693) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 76:sc= -1.95! USER MOD Single : A 61 HIS :FLIP no HD1:sc= -1.32 F(o=-2.5,f=-1.3) USER MOD Single : A 74 MET CE :methyl -118:sc= -2.13 (180deg=-5.39!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 105:sc= -0.0834 USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N TRP A 7 -12.001 -1.899 17.785 1.00 0.00 N ATOM 16 CA TRP A 7 -11.311 -1.279 16.618 1.00 0.00 C ATOM 17 C TRP A 7 -10.480 -2.328 15.879 1.00 0.00 C ATOM 18 O TRP A 7 -9.851 -3.174 16.483 1.00 0.00 O ATOM 19 CB TRP A 7 -10.401 -0.208 17.216 1.00 0.00 C ATOM 20 CG TRP A 7 -9.571 0.394 16.129 1.00 0.00 C ATOM 21 CD1 TRP A 7 -9.971 0.553 14.846 1.00 0.00 C ATOM 22 CD2 TRP A 7 -8.213 0.915 16.201 1.00 0.00 C ATOM 23 NE1 TRP A 7 -8.946 1.139 14.127 1.00 0.00 N ATOM 24 CE2 TRP A 7 -7.840 1.382 14.918 1.00 0.00 C ATOM 25 CE3 TRP A 7 -7.277 1.026 17.245 1.00 0.00 C ATOM 26 CZ2 TRP A 7 -6.585 1.940 14.680 1.00 0.00 C ATOM 27 CZ3 TRP A 7 -6.012 1.587 17.007 1.00 0.00 C ATOM 28 CH2 TRP A 7 -5.666 2.044 15.727 1.00 0.00 C ATOM 0 HA TRP A 7 -12.015 -0.862 15.899 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -10.998 0.563 17.703 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -9.759 -0.645 17.981 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -10.934 0.268 14.449 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -9.000 1.364 13.134 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -7.533 0.678 18.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -6.325 2.290 13.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -5.300 1.667 17.815 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -4.692 2.475 15.551 1.00 0.00 H new ATOM 39 N ALA A 8 -10.471 -2.277 14.579 1.00 0.00 N ATOM 40 CA ALA A 8 -9.681 -3.271 13.798 1.00 0.00 C ATOM 41 C ALA A 8 -8.267 -3.398 14.368 1.00 0.00 C ATOM 42 O ALA A 8 -7.632 -4.426 14.251 1.00 0.00 O ATOM 43 CB ALA A 8 -9.631 -2.708 12.382 1.00 0.00 C ATOM 0 H ALA A 8 -10.977 -1.590 14.020 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.127 -4.265 13.832 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.064 -3.384 11.741 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.645 -2.606 11.995 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.148 -1.731 12.396 1.00 0.00 H new ATOM 49 N VAL A 9 -7.769 -2.360 14.979 1.00 0.00 N ATOM 50 CA VAL A 9 -6.394 -2.428 15.549 1.00 0.00 C ATOM 51 C VAL A 9 -6.445 -2.366 17.078 1.00 0.00 C ATOM 52 O VAL A 9 -7.374 -1.839 17.659 1.00 0.00 O ATOM 53 CB VAL A 9 -5.668 -1.211 14.974 1.00 0.00 C ATOM 54 CG1 VAL A 9 -4.248 -1.151 15.541 1.00 0.00 C ATOM 55 CG2 VAL A 9 -5.602 -1.336 13.447 1.00 0.00 C ATOM 0 H VAL A 9 -8.252 -1.471 15.108 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.886 -3.359 15.296 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.206 -0.302 15.244 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.729 -0.284 15.132 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.293 -1.068 16.627 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.709 -2.058 15.269 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.085 -0.470 13.033 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.061 -2.244 13.179 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.613 -1.383 13.042 1.00 0.00 H new ATOM 65 N LYS A 10 -5.454 -2.913 17.733 1.00 0.00 N ATOM 66 CA LYS A 10 -5.438 -2.904 19.225 1.00 0.00 C ATOM 67 C LYS A 10 -4.285 -2.033 19.738 1.00 0.00 C ATOM 68 O LYS A 10 -3.581 -1.422 18.959 1.00 0.00 O ATOM 69 CB LYS A 10 -5.222 -4.369 19.608 1.00 0.00 C ATOM 70 CG LYS A 10 -6.453 -4.888 20.353 1.00 0.00 C ATOM 71 CD LYS A 10 -7.007 -6.115 19.630 1.00 0.00 C ATOM 72 CE LYS A 10 -7.669 -7.052 20.643 1.00 0.00 C ATOM 73 NZ LYS A 10 -6.725 -8.195 20.782 1.00 0.00 N ATOM 0 H LYS A 10 -4.652 -3.367 17.296 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.352 -2.494 19.655 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.045 -4.967 18.714 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.336 -4.465 20.236 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.189 -5.146 21.379 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.214 -4.110 20.406 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.731 -5.809 18.875 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.204 -6.636 19.108 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.827 -6.552 21.599 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.645 -7.386 20.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.109 -8.882 21.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.599 -8.655 19.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.806 -7.847 21.124 1.00 0.00 H new ATOM 87 N PRO A 11 -4.126 -2.004 21.037 1.00 0.00 N ATOM 88 CA PRO A 11 -3.041 -1.197 21.648 1.00 0.00 C ATOM 89 C PRO A 11 -1.678 -1.818 21.337 1.00 0.00 C ATOM 90 O PRO A 11 -0.726 -1.126 21.035 1.00 0.00 O ATOM 91 CB PRO A 11 -3.345 -1.253 23.143 1.00 0.00 C ATOM 92 CG PRO A 11 -4.146 -2.502 23.324 1.00 0.00 C ATOM 93 CD PRO A 11 -4.923 -2.708 22.052 1.00 0.00 C ATOM 0 HA PRO A 11 -3.000 -0.175 21.271 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.428 -1.282 23.732 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.904 -0.375 23.466 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.495 -3.354 23.522 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.818 -2.410 24.177 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.028 -3.767 21.815 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.929 -2.296 22.127 1.00 0.00 H new ATOM 101 N GLU A 12 -1.575 -3.118 21.401 1.00 0.00 N ATOM 102 CA GLU A 12 -0.270 -3.771 21.100 1.00 0.00 C ATOM 103 C GLU A 12 0.095 -3.544 19.633 1.00 0.00 C ATOM 104 O GLU A 12 1.254 -3.483 19.274 1.00 0.00 O ATOM 105 CB GLU A 12 -0.483 -5.258 21.389 1.00 0.00 C ATOM 106 CG GLU A 12 -1.377 -5.870 20.309 1.00 0.00 C ATOM 107 CD GLU A 12 -1.869 -7.242 20.772 1.00 0.00 C ATOM 108 OE1 GLU A 12 -2.101 -7.397 21.960 1.00 0.00 O ATOM 109 OE2 GLU A 12 -2.007 -8.115 19.930 1.00 0.00 O ATOM 0 H GLU A 12 -2.334 -3.753 21.647 1.00 0.00 H new ATOM 0 HA GLU A 12 0.546 -3.366 21.698 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.477 -5.774 21.416 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.941 -5.386 22.370 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.226 -5.215 20.110 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.823 -5.966 19.375 1.00 0.00 H new ATOM 116 N ASP A 13 -0.886 -3.392 18.788 1.00 0.00 N ATOM 117 CA ASP A 13 -0.592 -3.141 17.351 1.00 0.00 C ATOM 118 C ASP A 13 -0.349 -1.648 17.160 1.00 0.00 C ATOM 119 O ASP A 13 0.543 -1.235 16.449 1.00 0.00 O ATOM 120 CB ASP A 13 -1.841 -3.592 16.595 1.00 0.00 C ATOM 121 CG ASP A 13 -2.197 -5.022 17.006 1.00 0.00 C ATOM 122 OD1 ASP A 13 -2.773 -5.185 18.070 1.00 0.00 O ATOM 123 OD2 ASP A 13 -1.888 -5.928 16.251 1.00 0.00 O ATOM 0 H ASP A 13 -1.876 -3.431 19.030 1.00 0.00 H new ATOM 0 HA ASP A 13 0.290 -3.673 16.995 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.673 -2.922 16.813 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.666 -3.544 15.520 1.00 0.00 H new ATOM 128 N LYS A 14 -1.131 -0.838 17.816 1.00 0.00 N ATOM 129 CA LYS A 14 -0.940 0.631 17.701 1.00 0.00 C ATOM 130 C LYS A 14 0.360 1.021 18.403 1.00 0.00 C ATOM 131 O LYS A 14 0.874 2.106 18.226 1.00 0.00 O ATOM 132 CB LYS A 14 -2.139 1.254 18.412 1.00 0.00 C ATOM 133 CG LYS A 14 -2.070 2.779 18.294 1.00 0.00 C ATOM 134 CD LYS A 14 -2.722 3.223 16.983 1.00 0.00 C ATOM 135 CE LYS A 14 -3.956 4.076 17.286 1.00 0.00 C ATOM 136 NZ LYS A 14 -3.414 5.363 17.802 1.00 0.00 N ATOM 0 H LYS A 14 -1.894 -1.131 18.426 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.875 0.967 16.666 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.066 0.887 17.973 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.145 0.960 19.462 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.578 3.243 19.140 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.032 3.110 18.326 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.010 3.794 16.386 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.006 2.352 16.393 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.558 4.231 16.391 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.598 3.594 18.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.149 6.097 17.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.120 5.244 18.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.594 5.649 17.229 1.00 0.00 H new ATOM 150 N ALA A 15 0.902 0.130 19.191 1.00 0.00 N ATOM 151 CA ALA A 15 2.180 0.440 19.891 1.00 0.00 C ATOM 152 C ALA A 15 3.325 0.293 18.898 1.00 0.00 C ATOM 153 O ALA A 15 4.250 1.081 18.868 1.00 0.00 O ATOM 154 CB ALA A 15 2.292 -0.599 21.006 1.00 0.00 C ATOM 0 H ALA A 15 0.516 -0.795 19.379 1.00 0.00 H new ATOM 0 HA ALA A 15 2.214 1.452 20.294 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.212 -0.433 21.567 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.437 -0.507 21.676 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.307 -1.599 20.572 1.00 0.00 H new ATOM 160 N LYS A 16 3.244 -0.702 18.061 1.00 0.00 N ATOM 161 CA LYS A 16 4.299 -0.904 17.033 1.00 0.00 C ATOM 162 C LYS A 16 3.989 0.032 15.883 1.00 0.00 C ATOM 163 O LYS A 16 4.858 0.666 15.320 1.00 0.00 O ATOM 164 CB LYS A 16 4.175 -2.366 16.595 1.00 0.00 C ATOM 165 CG LYS A 16 3.783 -3.222 17.797 1.00 0.00 C ATOM 166 CD LYS A 16 4.652 -4.480 17.841 1.00 0.00 C ATOM 167 CE LYS A 16 4.158 -5.478 16.791 1.00 0.00 C ATOM 168 NZ LYS A 16 4.995 -6.694 16.992 1.00 0.00 N ATOM 0 H LYS A 16 2.488 -1.387 18.045 1.00 0.00 H new ATOM 0 HA LYS A 16 5.308 -0.700 17.392 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.427 -2.459 15.808 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.120 -2.714 16.179 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.906 -2.651 18.717 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.731 -3.498 17.731 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.694 -4.222 17.651 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.610 -4.929 18.833 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.099 -5.701 16.925 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.275 -5.081 15.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.715 -7.425 16.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.997 -6.453 16.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.858 -7.054 17.958 1.00 0.00 H new ATOM 182 N TYR A 17 2.734 0.150 15.560 1.00 0.00 N ATOM 183 CA TYR A 17 2.342 1.079 14.480 1.00 0.00 C ATOM 184 C TYR A 17 2.697 2.486 14.942 1.00 0.00 C ATOM 185 O TYR A 17 2.864 3.393 14.154 1.00 0.00 O ATOM 186 CB TYR A 17 0.824 0.945 14.338 1.00 0.00 C ATOM 187 CG TYR A 17 0.426 -0.476 13.996 1.00 0.00 C ATOM 188 CD1 TYR A 17 1.390 -1.487 13.873 1.00 0.00 C ATOM 189 CD2 TYR A 17 -0.928 -0.775 13.804 1.00 0.00 C ATOM 190 CE1 TYR A 17 0.994 -2.792 13.558 1.00 0.00 C ATOM 191 CE2 TYR A 17 -1.323 -2.079 13.487 1.00 0.00 C ATOM 192 CZ TYR A 17 -0.362 -3.088 13.363 1.00 0.00 C ATOM 193 OH TYR A 17 -0.748 -4.377 13.052 1.00 0.00 O ATOM 0 H TYR A 17 1.967 -0.358 15.999 1.00 0.00 H new ATOM 0 HA TYR A 17 2.839 0.870 13.532 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.342 1.246 15.268 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.468 1.622 13.561 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.435 -1.259 14.021 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.670 0.004 13.901 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.735 -3.572 13.465 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.368 -2.306 13.338 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.647 -4.543 13.404 1.00 0.00 H new ATOM 203 N ASP A 18 2.813 2.663 16.236 1.00 0.00 N ATOM 204 CA ASP A 18 3.162 4.010 16.772 1.00 0.00 C ATOM 205 C ASP A 18 4.680 4.154 16.861 1.00 0.00 C ATOM 206 O ASP A 18 5.208 5.245 16.944 1.00 0.00 O ATOM 207 CB ASP A 18 2.524 4.068 18.160 1.00 0.00 C ATOM 208 CG ASP A 18 3.140 5.216 18.961 1.00 0.00 C ATOM 209 OD1 ASP A 18 3.179 6.320 18.442 1.00 0.00 O ATOM 210 OD2 ASP A 18 3.561 4.974 20.080 1.00 0.00 O ATOM 0 H ASP A 18 2.681 1.935 16.939 1.00 0.00 H new ATOM 0 HA ASP A 18 2.803 4.819 16.136 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.447 4.211 18.070 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.678 3.124 18.682 1.00 0.00 H new ATOM 215 N ALA A 19 5.390 3.062 16.808 1.00 0.00 N ATOM 216 CA ALA A 19 6.873 3.141 16.850 1.00 0.00 C ATOM 217 C ALA A 19 7.354 3.257 15.416 1.00 0.00 C ATOM 218 O ALA A 19 8.358 3.872 15.114 1.00 0.00 O ATOM 219 CB ALA A 19 7.338 1.828 17.474 1.00 0.00 C ATOM 0 H ALA A 19 5.006 2.120 16.737 1.00 0.00 H new ATOM 0 HA ALA A 19 7.254 3.988 17.421 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.426 1.820 17.535 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.918 1.732 18.475 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.003 0.994 16.858 1.00 0.00 H new ATOM 225 N ILE A 20 6.597 2.686 14.526 1.00 0.00 N ATOM 226 CA ILE A 20 6.928 2.758 13.090 1.00 0.00 C ATOM 227 C ILE A 20 6.467 4.118 12.574 1.00 0.00 C ATOM 228 O ILE A 20 7.090 4.724 11.732 1.00 0.00 O ATOM 229 CB ILE A 20 6.112 1.628 12.464 1.00 0.00 C ATOM 230 CG1 ILE A 20 6.835 0.294 12.650 1.00 0.00 C ATOM 231 CG2 ILE A 20 5.919 1.900 10.980 1.00 0.00 C ATOM 232 CD1 ILE A 20 5.868 -0.847 12.323 1.00 0.00 C ATOM 0 H ILE A 20 5.748 2.164 14.743 1.00 0.00 H new ATOM 0 HA ILE A 20 7.989 2.655 12.864 1.00 0.00 H new ATOM 0 HB ILE A 20 5.140 1.577 12.955 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.708 0.245 12.000 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.195 0.200 13.675 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.337 1.093 10.535 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.390 2.844 10.849 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.892 1.958 10.491 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.376 -1.803 12.453 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.009 -0.799 12.992 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.530 -0.753 11.291 1.00 0.00 H new ATOM 244 N PHE A 21 5.374 4.598 13.103 1.00 0.00 N ATOM 245 CA PHE A 21 4.850 5.926 12.687 1.00 0.00 C ATOM 246 C PHE A 21 5.793 7.015 13.200 1.00 0.00 C ATOM 247 O PHE A 21 6.045 8.003 12.539 1.00 0.00 O ATOM 248 CB PHE A 21 3.467 6.016 13.353 1.00 0.00 C ATOM 249 CG PHE A 21 3.152 7.442 13.749 1.00 0.00 C ATOM 250 CD1 PHE A 21 3.771 8.007 14.871 1.00 0.00 C ATOM 251 CD2 PHE A 21 2.243 8.195 12.998 1.00 0.00 C ATOM 252 CE1 PHE A 21 3.480 9.324 15.241 1.00 0.00 C ATOM 253 CE2 PHE A 21 1.951 9.513 13.370 1.00 0.00 C ATOM 254 CZ PHE A 21 2.570 10.077 14.493 1.00 0.00 C ATOM 0 H PHE A 21 4.818 4.120 13.812 1.00 0.00 H new ATOM 0 HA PHE A 21 4.778 6.052 11.607 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.704 5.647 12.668 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.441 5.375 14.234 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.473 7.426 15.450 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.767 7.760 12.132 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.959 9.760 16.105 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.249 10.095 12.791 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.344 11.093 14.781 1.00 0.00 H new ATOM 264 N ASP A 22 6.311 6.831 14.380 1.00 0.00 N ATOM 265 CA ASP A 22 7.239 7.837 14.963 1.00 0.00 C ATOM 266 C ASP A 22 8.679 7.539 14.536 1.00 0.00 C ATOM 267 O ASP A 22 9.599 8.256 14.875 1.00 0.00 O ATOM 268 CB ASP A 22 7.076 7.691 16.475 1.00 0.00 C ATOM 269 CG ASP A 22 8.232 8.397 17.185 1.00 0.00 C ATOM 270 OD1 ASP A 22 8.505 9.535 16.840 1.00 0.00 O ATOM 271 OD2 ASP A 22 8.826 7.788 18.060 1.00 0.00 O ATOM 0 H ASP A 22 6.130 6.020 14.971 1.00 0.00 H new ATOM 0 HA ASP A 22 7.019 8.851 14.628 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.125 8.120 16.792 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.057 6.636 16.749 1.00 0.00 H new ATOM 276 N SER A 23 8.879 6.495 13.776 1.00 0.00 N ATOM 277 CA SER A 23 10.255 6.164 13.307 1.00 0.00 C ATOM 278 C SER A 23 10.509 6.854 11.965 1.00 0.00 C ATOM 279 O SER A 23 11.587 6.795 11.410 1.00 0.00 O ATOM 280 CB SER A 23 10.264 4.644 13.146 1.00 0.00 C ATOM 281 OG SER A 23 11.416 4.256 12.409 1.00 0.00 O ATOM 0 H SER A 23 8.148 5.857 13.460 1.00 0.00 H new ATOM 0 HA SER A 23 11.031 6.496 13.997 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.265 4.163 14.124 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.361 4.316 12.631 1.00 0.00 H new ATOM 0 HG SER A 23 11.701 4.996 11.834 1.00 0.00 H new ATOM 287 N LEU A 24 9.506 7.511 11.449 1.00 0.00 N ATOM 288 CA LEU A 24 9.641 8.222 10.145 1.00 0.00 C ATOM 289 C LEU A 24 9.642 9.731 10.388 1.00 0.00 C ATOM 290 O LEU A 24 9.850 10.514 9.481 1.00 0.00 O ATOM 291 CB LEU A 24 8.390 7.850 9.335 1.00 0.00 C ATOM 292 CG LEU A 24 7.883 6.460 9.707 1.00 0.00 C ATOM 293 CD1 LEU A 24 6.475 6.263 9.143 1.00 0.00 C ATOM 294 CD2 LEU A 24 8.814 5.405 9.118 1.00 0.00 C ATOM 0 H LEU A 24 8.586 7.586 11.882 1.00 0.00 H new ATOM 0 HA LEU A 24 10.562 7.949 9.630 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.606 8.586 9.514 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.620 7.883 8.270 1.00 0.00 H new ATOM 0 HG LEU A 24 7.859 6.361 10.792 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.112 5.270 9.409 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.807 7.017 9.560 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.501 6.362 8.058 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.452 4.412 9.383 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.837 5.505 8.033 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.819 5.544 9.516 1.00 0.00 H new ATOM 306 N SER A 25 9.367 10.130 11.607 1.00 0.00 N ATOM 307 CA SER A 25 9.297 11.586 11.969 1.00 0.00 C ATOM 308 C SER A 25 7.892 12.100 11.673 1.00 0.00 C ATOM 309 O SER A 25 7.606 12.565 10.588 1.00 0.00 O ATOM 310 CB SER A 25 10.340 12.315 11.119 1.00 0.00 C ATOM 311 OG SER A 25 11.471 11.473 10.941 1.00 0.00 O ATOM 0 H SER A 25 9.184 9.495 12.384 1.00 0.00 H new ATOM 0 HA SER A 25 9.503 11.752 13.026 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.915 12.582 10.151 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.637 13.245 11.605 1.00 0.00 H new ATOM 0 HG SER A 25 11.451 11.084 10.042 1.00 0.00 H new ATOM 317 N PRO A 26 7.056 11.973 12.664 1.00 0.00 N ATOM 318 CA PRO A 26 5.646 12.399 12.538 1.00 0.00 C ATOM 319 C PRO A 26 5.544 13.918 12.557 1.00 0.00 C ATOM 320 O PRO A 26 6.283 14.601 13.237 1.00 0.00 O ATOM 321 CB PRO A 26 4.977 11.796 13.767 1.00 0.00 C ATOM 322 CG PRO A 26 6.076 11.641 14.764 1.00 0.00 C ATOM 323 CD PRO A 26 7.352 11.428 13.990 1.00 0.00 C ATOM 0 HA PRO A 26 5.184 12.075 11.605 1.00 0.00 H new ATOM 0 HB2 PRO A 26 4.188 12.446 14.146 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.516 10.836 13.535 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.152 12.527 15.394 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.881 10.796 15.424 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.192 11.944 14.455 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.616 10.372 13.938 1.00 0.00 H new ATOM 331 N VAL A 27 4.625 14.441 11.812 1.00 0.00 N ATOM 332 CA VAL A 27 4.441 15.915 11.765 1.00 0.00 C ATOM 333 C VAL A 27 3.133 16.280 12.465 1.00 0.00 C ATOM 334 O VAL A 27 2.059 15.974 11.989 1.00 0.00 O ATOM 335 CB VAL A 27 4.384 16.236 10.273 1.00 0.00 C ATOM 336 CG1 VAL A 27 3.964 17.692 10.074 1.00 0.00 C ATOM 337 CG2 VAL A 27 5.769 16.011 9.659 1.00 0.00 C ATOM 0 H VAL A 27 3.983 13.908 11.225 1.00 0.00 H new ATOM 0 HA VAL A 27 5.232 16.473 12.266 1.00 0.00 H new ATOM 0 HB VAL A 27 3.656 15.586 9.787 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.925 17.917 9.008 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.980 17.850 10.515 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.688 18.349 10.557 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.736 16.238 8.593 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.494 16.663 10.147 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.065 14.971 9.799 1.00 0.00 H new ATOM 347 N ASN A 28 3.210 16.907 13.609 1.00 0.00 N ATOM 348 CA ASN A 28 1.960 17.251 14.339 1.00 0.00 C ATOM 349 C ASN A 28 1.116 15.986 14.476 1.00 0.00 C ATOM 350 O ASN A 28 -0.089 16.036 14.620 1.00 0.00 O ATOM 351 CB ASN A 28 1.249 18.279 13.462 1.00 0.00 C ATOM 352 CG ASN A 28 2.118 19.527 13.332 1.00 0.00 C ATOM 353 OD1 ASN A 28 2.808 19.703 12.244 1.00 0.00 O flip ATOM 354 ND2 ASN A 28 2.169 20.346 14.228 1.00 0.00 N flip ATOM 0 H ASN A 28 4.077 17.193 14.064 1.00 0.00 H new ATOM 0 HA ASN A 28 2.143 17.647 15.338 1.00 0.00 H new ATOM 0 HB2 ASN A 28 1.051 17.857 12.477 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.284 18.539 13.897 1.00 0.00 H new ATOM 0 HD21 ASN A 28 1.626 20.204 15.080 1.00 0.00 H new ATOM 0 HD22 ASN A 28 2.755 21.175 14.128 1.00 0.00 H new ATOM 361 N GLY A 29 1.752 14.848 14.410 1.00 0.00 N ATOM 362 CA GLY A 29 1.008 13.565 14.512 1.00 0.00 C ATOM 363 C GLY A 29 0.614 13.116 13.106 1.00 0.00 C ATOM 364 O GLY A 29 -0.432 12.539 12.899 1.00 0.00 O ATOM 0 H GLY A 29 2.760 14.754 14.289 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.626 12.806 14.992 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.120 13.691 15.131 1.00 0.00 H new ATOM 368 N PHE A 30 1.441 13.393 12.132 1.00 0.00 N ATOM 369 CA PHE A 30 1.101 12.996 10.735 1.00 0.00 C ATOM 370 C PHE A 30 2.335 12.580 9.943 1.00 0.00 C ATOM 371 O PHE A 30 3.418 13.105 10.120 1.00 0.00 O ATOM 372 CB PHE A 30 0.507 14.254 10.111 1.00 0.00 C ATOM 373 CG PHE A 30 -0.747 14.622 10.846 1.00 0.00 C ATOM 374 CD1 PHE A 30 -1.847 13.765 10.801 1.00 0.00 C ATOM 375 CD2 PHE A 30 -0.806 15.811 11.576 1.00 0.00 C ATOM 376 CE1 PHE A 30 -3.019 14.099 11.491 1.00 0.00 C ATOM 377 CE2 PHE A 30 -1.972 16.148 12.266 1.00 0.00 C ATOM 378 CZ PHE A 30 -3.082 15.293 12.224 1.00 0.00 C ATOM 0 H PHE A 30 2.333 13.875 12.243 1.00 0.00 H new ATOM 0 HA PHE A 30 0.424 12.142 10.727 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.225 15.073 10.159 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.289 14.084 9.057 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.795 12.846 10.235 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.050 16.469 11.607 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.873 13.438 11.459 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.019 17.067 12.832 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.985 15.554 12.756 1.00 0.00 H new ATOM 388 N LEU A 31 2.156 11.672 9.028 1.00 0.00 N ATOM 389 CA LEU A 31 3.290 11.243 8.159 1.00 0.00 C ATOM 390 C LEU A 31 2.881 11.479 6.709 1.00 0.00 C ATOM 391 O LEU A 31 1.779 11.167 6.311 1.00 0.00 O ATOM 392 CB LEU A 31 3.512 9.754 8.430 1.00 0.00 C ATOM 393 CG LEU A 31 4.089 9.567 9.834 1.00 0.00 C ATOM 394 CD1 LEU A 31 3.849 8.130 10.297 1.00 0.00 C ATOM 395 CD2 LEU A 31 5.593 9.848 9.807 1.00 0.00 C ATOM 0 H LEU A 31 1.269 11.204 8.842 1.00 0.00 H new ATOM 0 HA LEU A 31 4.208 11.795 8.358 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.570 9.213 8.338 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.193 9.337 7.688 1.00 0.00 H new ATOM 0 HG LEU A 31 3.601 10.257 10.522 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.260 7.997 11.298 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.778 7.928 10.315 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.337 7.440 9.609 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.006 9.715 10.807 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.080 9.157 9.119 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.766 10.872 9.476 1.00 0.00 H new ATOM 407 N SER A 32 3.742 12.050 5.924 1.00 0.00 N ATOM 408 CA SER A 32 3.373 12.331 4.507 1.00 0.00 C ATOM 409 C SER A 32 3.454 11.068 3.658 1.00 0.00 C ATOM 410 O SER A 32 4.319 10.240 3.837 1.00 0.00 O ATOM 411 CB SER A 32 4.383 13.369 4.024 1.00 0.00 C ATOM 412 OG SER A 32 5.139 13.850 5.129 1.00 0.00 O ATOM 0 H SER A 32 4.683 12.335 6.196 1.00 0.00 H new ATOM 0 HA SER A 32 2.347 12.691 4.425 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.047 12.927 3.281 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.865 14.196 3.537 1.00 0.00 H new ATOM 0 HG SER A 32 5.788 14.515 4.817 1.00 0.00 H new ATOM 418 N GLY A 33 2.559 10.914 2.725 1.00 0.00 N ATOM 419 CA GLY A 33 2.606 9.707 1.862 1.00 0.00 C ATOM 420 C GLY A 33 4.026 9.562 1.320 1.00 0.00 C ATOM 421 O GLY A 33 4.484 8.477 1.027 1.00 0.00 O ATOM 0 H GLY A 33 1.802 11.568 2.524 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.324 8.821 2.432 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.894 9.798 1.042 1.00 0.00 H new ATOM 425 N ASP A 34 4.736 10.654 1.204 1.00 0.00 N ATOM 426 CA ASP A 34 6.140 10.580 0.700 1.00 0.00 C ATOM 427 C ASP A 34 7.058 10.083 1.819 1.00 0.00 C ATOM 428 O ASP A 34 8.213 9.772 1.605 1.00 0.00 O ATOM 429 CB ASP A 34 6.501 12.013 0.306 1.00 0.00 C ATOM 430 CG ASP A 34 5.595 12.472 -0.837 1.00 0.00 C ATOM 431 OD1 ASP A 34 5.100 11.619 -1.555 1.00 0.00 O ATOM 432 OD2 ASP A 34 5.410 13.671 -0.976 1.00 0.00 O ATOM 0 H ASP A 34 4.406 11.591 1.436 1.00 0.00 H new ATOM 0 HA ASP A 34 6.248 9.894 -0.140 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.387 12.677 1.163 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.546 12.065 -0.001 1.00 0.00 H new ATOM 437 N LYS A 35 6.539 10.006 3.011 1.00 0.00 N ATOM 438 CA LYS A 35 7.335 9.533 4.167 1.00 0.00 C ATOM 439 C LYS A 35 6.969 8.074 4.439 1.00 0.00 C ATOM 440 O LYS A 35 7.815 7.222 4.624 1.00 0.00 O ATOM 441 CB LYS A 35 6.884 10.478 5.289 1.00 0.00 C ATOM 442 CG LYS A 35 6.942 9.805 6.660 1.00 0.00 C ATOM 443 CD LYS A 35 8.139 10.348 7.427 1.00 0.00 C ATOM 444 CE LYS A 35 8.075 11.877 7.479 1.00 0.00 C ATOM 445 NZ LYS A 35 9.354 12.335 6.872 1.00 0.00 N ATOM 0 H LYS A 35 5.576 10.257 3.233 1.00 0.00 H new ATOM 0 HA LYS A 35 8.417 9.553 4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.518 11.365 5.293 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.866 10.814 5.093 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.022 9.996 7.213 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.026 8.724 6.546 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.149 9.941 8.438 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.064 10.030 6.947 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.217 12.256 6.924 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.974 12.234 8.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.309 13.360 6.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.140 12.126 7.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.508 11.839 5.971 1.00 0.00 H new ATOM 459 N VAL A 36 5.701 7.799 4.454 1.00 0.00 N ATOM 460 CA VAL A 36 5.217 6.409 4.699 1.00 0.00 C ATOM 461 C VAL A 36 5.368 5.546 3.439 1.00 0.00 C ATOM 462 O VAL A 36 5.670 4.373 3.517 1.00 0.00 O ATOM 463 CB VAL A 36 3.739 6.580 5.030 1.00 0.00 C ATOM 464 CG1 VAL A 36 3.109 5.209 5.291 1.00 0.00 C ATOM 465 CG2 VAL A 36 3.600 7.469 6.267 1.00 0.00 C ATOM 0 H VAL A 36 4.963 8.487 4.305 1.00 0.00 H new ATOM 0 HA VAL A 36 5.780 5.913 5.490 1.00 0.00 H new ATOM 0 HB VAL A 36 3.225 7.049 4.191 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.052 5.333 5.528 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.211 4.586 4.402 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.615 4.730 6.129 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.544 7.595 6.508 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.112 7.003 7.109 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.045 8.444 6.066 1.00 0.00 H new ATOM 475 N LYS A 37 5.137 6.115 2.285 1.00 0.00 N ATOM 476 CA LYS A 37 5.245 5.327 1.020 1.00 0.00 C ATOM 477 C LYS A 37 6.422 4.344 1.078 1.00 0.00 C ATOM 478 O LYS A 37 6.246 3.167 0.831 1.00 0.00 O ATOM 479 CB LYS A 37 5.453 6.364 -0.086 1.00 0.00 C ATOM 480 CG LYS A 37 5.935 5.674 -1.365 1.00 0.00 C ATOM 481 CD LYS A 37 7.298 6.240 -1.765 1.00 0.00 C ATOM 482 CE LYS A 37 7.135 7.699 -2.203 1.00 0.00 C ATOM 483 NZ LYS A 37 8.438 8.346 -1.887 1.00 0.00 N ATOM 0 H LYS A 37 4.878 7.094 2.163 1.00 0.00 H new ATOM 0 HA LYS A 37 4.355 4.722 0.847 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.521 6.895 -0.278 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.183 7.108 0.234 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.008 4.598 -1.205 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.215 5.829 -2.168 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.991 6.176 -0.926 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.725 5.651 -2.577 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.908 7.768 -3.267 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.316 8.182 -1.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.403 9.349 -2.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.624 8.271 -0.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.198 7.871 -2.414 1.00 0.00 H new ATOM 497 N PRO A 38 7.585 4.842 1.413 1.00 0.00 N ATOM 498 CA PRO A 38 8.776 3.959 1.505 1.00 0.00 C ATOM 499 C PRO A 38 8.585 2.971 2.650 1.00 0.00 C ATOM 500 O PRO A 38 9.058 1.853 2.616 1.00 0.00 O ATOM 501 CB PRO A 38 9.923 4.928 1.780 1.00 0.00 C ATOM 502 CG PRO A 38 9.273 6.131 2.381 1.00 0.00 C ATOM 503 CD PRO A 38 7.911 6.236 1.747 1.00 0.00 C ATOM 0 HA PRO A 38 8.957 3.362 0.611 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.654 4.492 2.461 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.454 5.182 0.863 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.191 6.029 3.463 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.862 7.028 2.189 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.181 6.667 2.432 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.928 6.869 0.860 1.00 0.00 H new ATOM 511 N VAL A 39 7.873 3.384 3.654 1.00 0.00 N ATOM 512 CA VAL A 39 7.610 2.491 4.814 1.00 0.00 C ATOM 513 C VAL A 39 6.521 1.480 4.451 1.00 0.00 C ATOM 514 O VAL A 39 6.275 0.531 5.166 1.00 0.00 O ATOM 515 CB VAL A 39 7.131 3.432 5.918 1.00 0.00 C ATOM 516 CG1 VAL A 39 6.337 2.647 6.960 1.00 0.00 C ATOM 517 CG2 VAL A 39 8.336 4.095 6.583 1.00 0.00 C ATOM 0 H VAL A 39 7.456 4.312 3.723 1.00 0.00 H new ATOM 0 HA VAL A 39 8.486 1.918 5.118 1.00 0.00 H new ATOM 0 HB VAL A 39 6.490 4.198 5.483 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.998 3.323 7.745 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.474 2.181 6.485 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.972 1.875 7.395 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.993 4.766 7.371 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.981 3.329 7.014 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.895 4.663 5.840 1.00 0.00 H new ATOM 527 N LEU A 40 5.879 1.672 3.340 1.00 0.00 N ATOM 528 CA LEU A 40 4.827 0.712 2.913 1.00 0.00 C ATOM 529 C LEU A 40 5.423 -0.223 1.862 1.00 0.00 C ATOM 530 O LEU A 40 4.874 -1.259 1.545 1.00 0.00 O ATOM 531 CB LEU A 40 3.720 1.569 2.310 1.00 0.00 C ATOM 532 CG LEU A 40 2.976 2.297 3.429 1.00 0.00 C ATOM 533 CD1 LEU A 40 1.899 3.196 2.818 1.00 0.00 C ATOM 534 CD2 LEU A 40 2.320 1.277 4.359 1.00 0.00 C ATOM 0 H LEU A 40 6.036 2.455 2.705 1.00 0.00 H new ATOM 0 HA LEU A 40 4.446 0.100 3.731 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.143 2.290 1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.028 0.944 1.745 1.00 0.00 H new ATOM 0 HG LEU A 40 3.680 2.903 3.999 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.366 3.717 3.613 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.366 3.925 2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.197 2.587 2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.790 1.799 5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.615 0.669 3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.086 0.635 4.793 1.00 0.00 H new ATOM 546 N LEU A 41 6.561 0.141 1.330 1.00 0.00 N ATOM 547 CA LEU A 41 7.221 -0.710 0.308 1.00 0.00 C ATOM 548 C LEU A 41 8.096 -1.745 0.998 1.00 0.00 C ATOM 549 O LEU A 41 8.110 -2.903 0.630 1.00 0.00 O ATOM 550 CB LEU A 41 8.081 0.247 -0.505 1.00 0.00 C ATOM 551 CG LEU A 41 7.189 1.304 -1.139 1.00 0.00 C ATOM 552 CD1 LEU A 41 8.003 2.575 -1.354 1.00 0.00 C ATOM 553 CD2 LEU A 41 6.672 0.788 -2.480 1.00 0.00 C ATOM 0 H LEU A 41 7.061 0.998 1.565 1.00 0.00 H new ATOM 0 HA LEU A 41 6.506 -1.246 -0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.826 0.719 0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.624 -0.299 -1.277 1.00 0.00 H new ATOM 0 HG LEU A 41 6.343 1.519 -0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.372 3.339 -1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.375 2.935 -0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.845 2.361 -2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.032 1.542 -2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.515 0.579 -3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.099 -0.126 -2.322 1.00 0.00 H new ATOM 565 N ASN A 42 8.820 -1.348 2.011 1.00 0.00 N ATOM 566 CA ASN A 42 9.669 -2.341 2.714 1.00 0.00 C ATOM 567 C ASN A 42 8.809 -3.564 3.055 1.00 0.00 C ATOM 568 O ASN A 42 9.303 -4.660 3.233 1.00 0.00 O ATOM 569 CB ASN A 42 10.165 -1.637 3.979 1.00 0.00 C ATOM 570 CG ASN A 42 9.043 -1.592 5.014 1.00 0.00 C ATOM 571 OD1 ASN A 42 7.881 -1.112 4.673 1.00 0.00 O flip ATOM 572 ND2 ASN A 42 9.226 -1.997 6.144 1.00 0.00 N flip ATOM 0 H ASN A 42 8.858 -0.395 2.374 1.00 0.00 H new ATOM 0 HA ASN A 42 10.512 -2.687 2.115 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.028 -2.164 4.386 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.493 -0.626 3.739 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.136 -2.373 6.410 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.469 -1.962 6.827 1.00 0.00 H new ATOM 579 N SER A 43 7.514 -3.374 3.127 1.00 0.00 N ATOM 580 CA SER A 43 6.591 -4.506 3.430 1.00 0.00 C ATOM 581 C SER A 43 6.707 -5.585 2.347 1.00 0.00 C ATOM 582 O SER A 43 6.188 -6.674 2.485 1.00 0.00 O ATOM 583 CB SER A 43 5.195 -3.884 3.408 1.00 0.00 C ATOM 584 OG SER A 43 5.304 -2.484 3.626 1.00 0.00 O ATOM 0 H SER A 43 7.055 -2.474 2.987 1.00 0.00 H new ATOM 0 HA SER A 43 6.817 -4.983 4.384 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.712 -4.079 2.450 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.570 -4.337 4.178 1.00 0.00 H new ATOM 0 HG SER A 43 4.600 -2.020 3.128 1.00 0.00 H new ATOM 590 N LYS A 44 7.377 -5.282 1.262 1.00 0.00 N ATOM 591 CA LYS A 44 7.527 -6.274 0.154 1.00 0.00 C ATOM 592 C LYS A 44 6.208 -6.408 -0.610 1.00 0.00 C ATOM 593 O LYS A 44 5.982 -7.366 -1.322 1.00 0.00 O ATOM 594 CB LYS A 44 7.907 -7.597 0.825 1.00 0.00 C ATOM 595 CG LYS A 44 9.185 -8.140 0.182 1.00 0.00 C ATOM 596 CD LYS A 44 9.318 -9.634 0.480 1.00 0.00 C ATOM 597 CE LYS A 44 10.033 -10.324 -0.685 1.00 0.00 C ATOM 598 NZ LYS A 44 9.609 -11.752 -0.611 1.00 0.00 N ATOM 0 H LYS A 44 7.829 -4.383 1.096 1.00 0.00 H new ATOM 0 HA LYS A 44 8.285 -5.969 -0.568 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.060 -7.446 1.894 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.097 -8.319 0.718 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.160 -7.975 -0.895 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.053 -7.604 0.566 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.877 -9.783 1.404 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.333 -10.075 0.629 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.752 -9.878 -1.639 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.115 -10.229 -0.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.060 -12.288 -1.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.896 -12.152 0.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.575 -11.813 -0.707 1.00 0.00 H new ATOM 612 N LEU A 45 5.343 -5.441 -0.471 1.00 0.00 N ATOM 613 CA LEU A 45 4.036 -5.488 -1.187 1.00 0.00 C ATOM 614 C LEU A 45 4.106 -4.631 -2.450 1.00 0.00 C ATOM 615 O LEU A 45 4.901 -3.717 -2.537 1.00 0.00 O ATOM 616 CB LEU A 45 3.028 -4.891 -0.208 1.00 0.00 C ATOM 617 CG LEU A 45 2.488 -5.987 0.704 1.00 0.00 C ATOM 618 CD1 LEU A 45 1.607 -5.352 1.782 1.00 0.00 C ATOM 619 CD2 LEU A 45 1.660 -6.971 -0.126 1.00 0.00 C ATOM 0 H LEU A 45 5.486 -4.616 0.111 1.00 0.00 H new ATOM 0 HA LEU A 45 3.766 -6.500 -1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.502 -4.110 0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.209 -4.423 -0.754 1.00 0.00 H new ATOM 0 HG LEU A 45 3.314 -6.519 1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.217 -6.130 2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.198 -4.647 2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.777 -4.826 1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.272 -7.757 0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.829 -6.443 -0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.289 -7.415 -0.898 1.00 0.00 H new ATOM 631 N PRO A 46 3.257 -4.950 -3.387 1.00 0.00 N ATOM 632 CA PRO A 46 3.216 -4.190 -4.651 1.00 0.00 C ATOM 633 C PRO A 46 2.549 -2.826 -4.430 1.00 0.00 C ATOM 634 O PRO A 46 1.782 -2.638 -3.507 1.00 0.00 O ATOM 635 CB PRO A 46 2.392 -5.078 -5.577 1.00 0.00 C ATOM 636 CG PRO A 46 1.550 -5.924 -4.678 1.00 0.00 C ATOM 637 CD PRO A 46 2.273 -6.035 -3.358 1.00 0.00 C ATOM 0 HA PRO A 46 4.202 -3.973 -5.061 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.773 -4.480 -6.245 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.036 -5.694 -6.205 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.566 -5.477 -4.540 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.393 -6.910 -5.114 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.586 -5.926 -2.519 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.756 -7.006 -3.250 1.00 0.00 H new ATOM 645 N VAL A 47 2.849 -1.875 -5.271 1.00 0.00 N ATOM 646 CA VAL A 47 2.256 -0.513 -5.124 1.00 0.00 C ATOM 647 C VAL A 47 0.729 -0.579 -5.179 1.00 0.00 C ATOM 648 O VAL A 47 0.048 0.371 -4.846 1.00 0.00 O ATOM 649 CB VAL A 47 2.802 0.284 -6.311 1.00 0.00 C ATOM 650 CG1 VAL A 47 1.957 1.543 -6.521 1.00 0.00 C ATOM 651 CG2 VAL A 47 4.251 0.689 -6.032 1.00 0.00 C ATOM 0 H VAL A 47 3.485 -1.983 -6.061 1.00 0.00 H new ATOM 0 HA VAL A 47 2.513 -0.056 -4.168 1.00 0.00 H new ATOM 0 HB VAL A 47 2.760 -0.335 -7.207 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.349 2.107 -7.367 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.924 1.259 -6.722 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.995 2.161 -5.624 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.639 1.257 -6.878 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.290 1.304 -5.133 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.857 -0.205 -5.886 1.00 0.00 H new ATOM 661 N ASP A 48 0.180 -1.692 -5.580 1.00 0.00 N ATOM 662 CA ASP A 48 -1.297 -1.803 -5.630 1.00 0.00 C ATOM 663 C ASP A 48 -1.817 -1.863 -4.206 1.00 0.00 C ATOM 664 O ASP A 48 -2.836 -1.293 -3.873 1.00 0.00 O ATOM 665 CB ASP A 48 -1.573 -3.109 -6.352 1.00 0.00 C ATOM 666 CG ASP A 48 -1.792 -2.838 -7.840 1.00 0.00 C ATOM 667 OD1 ASP A 48 -0.983 -2.131 -8.419 1.00 0.00 O ATOM 668 OD2 ASP A 48 -2.765 -3.340 -8.378 1.00 0.00 O ATOM 0 H ASP A 48 0.691 -2.524 -5.873 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.777 -0.964 -6.135 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.736 -3.795 -6.217 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.453 -3.592 -5.927 1.00 0.00 H new ATOM 673 N ILE A 49 -1.097 -2.535 -3.354 1.00 0.00 N ATOM 674 CA ILE A 49 -1.524 -2.612 -1.940 1.00 0.00 C ATOM 675 C ILE A 49 -1.380 -1.228 -1.328 1.00 0.00 C ATOM 676 O ILE A 49 -2.260 -0.727 -0.654 1.00 0.00 O ATOM 677 CB ILE A 49 -0.567 -3.590 -1.262 1.00 0.00 C ATOM 678 CG1 ILE A 49 -0.464 -4.875 -2.079 1.00 0.00 C ATOM 679 CG2 ILE A 49 -1.088 -3.916 0.136 1.00 0.00 C ATOM 680 CD1 ILE A 49 -1.861 -5.427 -2.360 1.00 0.00 C ATOM 0 H ILE A 49 -0.235 -3.031 -3.579 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.557 -2.941 -1.828 1.00 0.00 H new ATOM 0 HB ILE A 49 0.421 -3.135 -1.192 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.054 -4.679 -3.018 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.126 -5.614 -1.537 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.408 -4.614 0.624 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.151 -3.000 0.724 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.077 -4.367 0.060 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.779 -6.344 -2.943 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.364 -5.641 -1.417 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.437 -4.691 -2.920 1.00 0.00 H new ATOM 692 N LEU A 50 -0.267 -0.604 -1.580 1.00 0.00 N ATOM 693 CA LEU A 50 -0.035 0.759 -1.046 1.00 0.00 C ATOM 694 C LEU A 50 -1.091 1.703 -1.615 1.00 0.00 C ATOM 695 O LEU A 50 -1.365 2.752 -1.062 1.00 0.00 O ATOM 696 CB LEU A 50 1.365 1.146 -1.533 1.00 0.00 C ATOM 697 CG LEU A 50 2.360 0.024 -1.210 1.00 0.00 C ATOM 698 CD1 LEU A 50 3.788 0.569 -1.288 1.00 0.00 C ATOM 699 CD2 LEU A 50 2.099 -0.514 0.199 1.00 0.00 C ATOM 0 H LEU A 50 0.497 -0.985 -2.138 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.103 0.809 0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.348 1.330 -2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.682 2.073 -1.056 1.00 0.00 H new ATOM 0 HG LEU A 50 2.235 -0.783 -1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.495 -0.228 -1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.979 0.945 -2.293 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.908 1.379 -0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.809 -1.310 0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.218 0.291 0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.084 -0.907 0.256 1.00 0.00 H new ATOM 711 N GLY A 51 -1.705 1.331 -2.707 1.00 0.00 N ATOM 712 CA GLY A 51 -2.759 2.201 -3.291 1.00 0.00 C ATOM 713 C GLY A 51 -4.073 1.892 -2.582 1.00 0.00 C ATOM 714 O GLY A 51 -4.929 2.742 -2.423 1.00 0.00 O ATOM 0 H GLY A 51 -1.521 0.466 -3.215 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.497 3.252 -3.167 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.852 2.020 -4.362 1.00 0.00 H new ATOM 718 N ARG A 52 -4.227 0.675 -2.136 1.00 0.00 N ATOM 719 CA ARG A 52 -5.469 0.293 -1.423 1.00 0.00 C ATOM 720 C ARG A 52 -5.260 0.430 0.075 1.00 0.00 C ATOM 721 O ARG A 52 -5.958 1.167 0.743 1.00 0.00 O ATOM 722 CB ARG A 52 -5.713 -1.164 -1.801 1.00 0.00 C ATOM 723 CG ARG A 52 -7.076 -1.285 -2.476 1.00 0.00 C ATOM 724 CD ARG A 52 -7.545 -2.738 -2.435 1.00 0.00 C ATOM 725 NE ARG A 52 -7.471 -3.200 -3.848 1.00 0.00 N ATOM 726 CZ ARG A 52 -7.102 -4.420 -4.119 1.00 0.00 C ATOM 727 NH1 ARG A 52 -7.712 -5.426 -3.558 1.00 0.00 N ATOM 728 NH2 ARG A 52 -6.127 -4.634 -4.958 1.00 0.00 N ATOM 0 H ARG A 52 -3.540 -0.072 -2.238 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.316 0.924 -1.690 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.929 -1.514 -2.472 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.677 -1.794 -0.912 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.800 -0.645 -1.972 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.013 -0.942 -3.509 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.909 -3.341 -1.788 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.560 -2.815 -2.046 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.710 -2.560 -4.606 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.479 -5.259 -2.906 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.423 -6.381 -3.771 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.654 -3.847 -5.402 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.837 -5.589 -5.171 1.00 0.00 H new ATOM 742 N VAL A 53 -4.299 -0.261 0.611 1.00 0.00 N ATOM 743 CA VAL A 53 -4.052 -0.147 2.065 1.00 0.00 C ATOM 744 C VAL A 53 -4.046 1.329 2.447 1.00 0.00 C ATOM 745 O VAL A 53 -4.725 1.746 3.361 1.00 0.00 O ATOM 746 CB VAL A 53 -2.682 -0.788 2.287 1.00 0.00 C ATOM 747 CG1 VAL A 53 -2.076 -0.294 3.603 1.00 0.00 C ATOM 748 CG2 VAL A 53 -2.854 -2.305 2.346 1.00 0.00 C ATOM 0 H VAL A 53 -3.679 -0.895 0.107 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.812 -0.636 2.674 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.016 -0.515 1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.100 -0.757 3.751 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.962 0.789 3.567 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.734 -0.562 4.430 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.883 -2.775 2.504 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.521 -2.564 3.168 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.280 -2.660 1.408 1.00 0.00 H new ATOM 758 N TRP A 54 -3.302 2.126 1.736 1.00 0.00 N ATOM 759 CA TRP A 54 -3.274 3.575 2.052 1.00 0.00 C ATOM 760 C TRP A 54 -4.690 4.148 1.996 1.00 0.00 C ATOM 761 O TRP A 54 -5.194 4.672 2.965 1.00 0.00 O ATOM 762 CB TRP A 54 -2.399 4.213 0.978 1.00 0.00 C ATOM 763 CG TRP A 54 -2.477 5.692 1.138 1.00 0.00 C ATOM 764 CD1 TRP A 54 -3.495 6.463 0.699 1.00 0.00 C ATOM 765 CD2 TRP A 54 -1.533 6.587 1.791 1.00 0.00 C ATOM 766 NE1 TRP A 54 -3.239 7.775 1.042 1.00 0.00 N ATOM 767 CE2 TRP A 54 -2.038 7.905 1.713 1.00 0.00 C ATOM 768 CE3 TRP A 54 -0.299 6.384 2.433 1.00 0.00 C ATOM 769 CZ2 TRP A 54 -1.344 8.985 2.257 1.00 0.00 C ATOM 770 CZ3 TRP A 54 0.405 7.469 2.982 1.00 0.00 C ATOM 771 CH2 TRP A 54 -0.118 8.767 2.894 1.00 0.00 C ATOM 0 H TRP A 54 -2.715 1.837 0.953 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.885 3.768 3.052 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.368 3.873 1.075 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.739 3.919 -0.015 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.366 6.111 0.167 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.861 8.554 0.826 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.111 5.387 2.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.750 9.983 2.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.352 7.303 3.473 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.426 9.598 3.318 1.00 0.00 H new ATOM 782 N GLU A 55 -5.336 4.052 0.868 1.00 0.00 N ATOM 783 CA GLU A 55 -6.720 4.597 0.761 1.00 0.00 C ATOM 784 C GLU A 55 -7.536 4.210 1.996 1.00 0.00 C ATOM 785 O GLU A 55 -8.038 5.054 2.711 1.00 0.00 O ATOM 786 CB GLU A 55 -7.310 3.954 -0.493 1.00 0.00 C ATOM 787 CG GLU A 55 -6.640 4.546 -1.735 1.00 0.00 C ATOM 788 CD GLU A 55 -7.189 5.951 -1.991 1.00 0.00 C ATOM 789 OE1 GLU A 55 -6.648 6.888 -1.429 1.00 0.00 O ATOM 790 OE2 GLU A 55 -8.142 6.066 -2.744 1.00 0.00 O ATOM 0 H GLU A 55 -4.969 3.622 0.019 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.729 5.685 0.700 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.160 2.875 -0.466 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.386 4.126 -0.531 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.560 4.586 -1.594 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.825 3.909 -2.600 1.00 0.00 H new ATOM 797 N LEU A 56 -7.665 2.940 2.254 1.00 0.00 N ATOM 798 CA LEU A 56 -8.443 2.497 3.447 1.00 0.00 C ATOM 799 C LEU A 56 -7.674 2.846 4.728 1.00 0.00 C ATOM 800 O LEU A 56 -8.199 2.775 5.821 1.00 0.00 O ATOM 801 CB LEU A 56 -8.585 0.979 3.293 1.00 0.00 C ATOM 802 CG LEU A 56 -9.279 0.650 1.967 1.00 0.00 C ATOM 803 CD1 LEU A 56 -8.635 -0.595 1.356 1.00 0.00 C ATOM 804 CD2 LEU A 56 -10.771 0.379 2.212 1.00 0.00 C ATOM 0 H LEU A 56 -7.266 2.188 1.692 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.416 2.984 3.515 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.602 0.508 3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.161 0.573 4.125 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.173 1.495 1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.126 -0.833 0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.576 -0.406 1.177 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.743 -1.435 2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -11.259 0.146 1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.880 -0.464 2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.234 1.263 2.651 1.00 0.00 H new ATOM 816 N SER A 57 -6.429 3.227 4.595 1.00 0.00 N ATOM 817 CA SER A 57 -5.613 3.586 5.794 1.00 0.00 C ATOM 818 C SER A 57 -5.628 5.101 6.015 1.00 0.00 C ATOM 819 O SER A 57 -5.485 5.577 7.124 1.00 0.00 O ATOM 820 CB SER A 57 -4.200 3.118 5.464 1.00 0.00 C ATOM 821 OG SER A 57 -4.136 1.706 5.594 1.00 0.00 O ATOM 0 H SER A 57 -5.940 3.305 3.703 1.00 0.00 H new ATOM 0 HA SER A 57 -5.999 3.126 6.704 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.933 3.415 4.450 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.481 3.590 6.134 1.00 0.00 H new ATOM 0 HG SER A 57 -4.564 1.286 4.819 1.00 0.00 H new ATOM 827 N ASP A 58 -5.802 5.862 4.969 1.00 0.00 N ATOM 828 CA ASP A 58 -5.827 7.342 5.125 1.00 0.00 C ATOM 829 C ASP A 58 -7.245 7.794 5.452 1.00 0.00 C ATOM 830 O ASP A 58 -7.991 8.222 4.594 1.00 0.00 O ATOM 831 CB ASP A 58 -5.374 7.905 3.778 1.00 0.00 C ATOM 832 CG ASP A 58 -4.781 9.300 3.984 1.00 0.00 C ATOM 833 OD1 ASP A 58 -4.829 9.783 5.104 1.00 0.00 O ATOM 834 OD2 ASP A 58 -4.288 9.863 3.021 1.00 0.00 O ATOM 0 H ASP A 58 -5.928 5.523 4.015 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.181 7.687 5.932 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.633 7.246 3.327 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.218 7.954 3.090 1.00 0.00 H new ATOM 839 N ILE A 59 -7.620 7.692 6.691 1.00 0.00 N ATOM 840 CA ILE A 59 -8.988 8.100 7.095 1.00 0.00 C ATOM 841 C ILE A 59 -9.362 9.436 6.445 1.00 0.00 C ATOM 842 O ILE A 59 -10.511 9.688 6.143 1.00 0.00 O ATOM 843 CB ILE A 59 -8.925 8.239 8.615 1.00 0.00 C ATOM 844 CG1 ILE A 59 -8.612 6.878 9.247 1.00 0.00 C ATOM 845 CG2 ILE A 59 -10.269 8.746 9.137 1.00 0.00 C ATOM 846 CD1 ILE A 59 -9.791 5.929 9.042 1.00 0.00 C ATOM 0 H ILE A 59 -7.033 7.341 7.448 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.742 7.378 6.782 1.00 0.00 H new ATOM 0 HB ILE A 59 -8.140 8.948 8.879 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.712 6.457 8.799 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.411 6.999 10.312 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -10.224 8.845 10.222 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -10.489 9.717 8.693 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -11.054 8.038 8.870 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -9.563 4.963 9.493 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -10.681 6.348 9.511 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.971 5.798 7.975 1.00 0.00 H new ATOM 858 N ASP A 60 -8.404 10.298 6.234 1.00 0.00 N ATOM 859 CA ASP A 60 -8.726 11.617 5.612 1.00 0.00 C ATOM 860 C ASP A 60 -8.268 11.662 4.147 1.00 0.00 C ATOM 861 O ASP A 60 -8.671 12.526 3.392 1.00 0.00 O ATOM 862 CB ASP A 60 -7.975 12.652 6.455 1.00 0.00 C ATOM 863 CG ASP A 60 -6.496 12.672 6.068 1.00 0.00 C ATOM 864 OD1 ASP A 60 -6.050 11.721 5.450 1.00 0.00 O ATOM 865 OD2 ASP A 60 -5.833 13.639 6.400 1.00 0.00 O ATOM 0 H ASP A 60 -7.421 10.149 6.462 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.799 11.807 5.598 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.411 13.640 6.306 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.079 12.414 7.514 1.00 0.00 H new ATOM 870 N HIS A 61 -7.436 10.745 3.737 1.00 0.00 N ATOM 871 CA HIS A 61 -6.965 10.744 2.322 1.00 0.00 C ATOM 872 C HIS A 61 -6.321 12.089 1.981 1.00 0.00 C ATOM 873 O HIS A 61 -6.527 12.638 0.918 1.00 0.00 O ATOM 874 CB HIS A 61 -8.221 10.530 1.477 1.00 0.00 C ATOM 875 CG HIS A 61 -9.071 9.454 2.094 1.00 0.00 C ATOM 876 ND1 HIS A 61 -10.124 9.511 2.974 1.00 0.00 N flip ATOM 877 CD2 HIS A 61 -8.877 8.110 1.822 1.00 0.00 C flip ATOM 878 CE1 HIS A 61 -10.577 8.223 3.245 1.00 0.00 C flip ATOM 879 NE2 HIS A 61 -9.791 7.417 2.525 1.00 0.00 N flip ATOM 0 H HIS A 61 -7.062 9.996 4.320 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.217 9.972 2.141 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -8.787 11.459 1.408 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -7.944 10.250 0.461 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -8.128 7.694 1.165 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -11.389 7.937 3.897 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -9.874 6.400 2.510 1.00 0.00 H new ATOM 887 N ASP A 62 -5.543 12.623 2.878 1.00 0.00 N ATOM 888 CA ASP A 62 -4.888 13.931 2.609 1.00 0.00 C ATOM 889 C ASP A 62 -3.429 13.715 2.196 1.00 0.00 C ATOM 890 O ASP A 62 -2.626 14.628 2.216 1.00 0.00 O ATOM 891 CB ASP A 62 -4.982 14.684 3.941 1.00 0.00 C ATOM 892 CG ASP A 62 -3.859 14.234 4.881 1.00 0.00 C ATOM 893 OD1 ASP A 62 -3.736 13.038 5.095 1.00 0.00 O ATOM 894 OD2 ASP A 62 -3.144 15.091 5.372 1.00 0.00 O ATOM 0 H ASP A 62 -5.332 12.210 3.787 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.358 14.483 1.795 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.912 15.758 3.766 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.951 14.499 4.405 1.00 0.00 H new ATOM 899 N GLY A 63 -3.077 12.511 1.839 1.00 0.00 N ATOM 900 CA GLY A 63 -1.668 12.233 1.449 1.00 0.00 C ATOM 901 C GLY A 63 -0.843 12.056 2.723 1.00 0.00 C ATOM 902 O GLY A 63 0.371 12.105 2.708 1.00 0.00 O ATOM 0 H GLY A 63 -3.705 11.708 1.801 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.615 11.335 0.834 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.271 13.053 0.850 1.00 0.00 H new ATOM 906 N MET A 64 -1.506 11.859 3.832 1.00 0.00 N ATOM 907 CA MET A 64 -0.788 11.688 5.121 1.00 0.00 C ATOM 908 C MET A 64 -1.550 10.721 6.035 1.00 0.00 C ATOM 909 O MET A 64 -2.728 10.483 5.858 1.00 0.00 O ATOM 910 CB MET A 64 -0.764 13.085 5.734 1.00 0.00 C ATOM 911 CG MET A 64 0.559 13.752 5.388 1.00 0.00 C ATOM 912 SD MET A 64 0.547 15.475 5.932 1.00 0.00 S ATOM 913 CE MET A 64 2.343 15.664 6.016 1.00 0.00 C ATOM 0 H MET A 64 -2.523 11.809 3.896 1.00 0.00 H new ATOM 0 HA MET A 64 0.211 11.274 4.986 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.596 13.678 5.354 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.884 13.024 6.816 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.380 13.218 5.865 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.729 13.703 4.312 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.587 16.638 6.440 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.762 14.879 6.645 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.764 15.589 5.013 1.00 0.00 H new ATOM 923 N LEU A 65 -0.886 10.171 7.016 1.00 0.00 N ATOM 924 CA LEU A 65 -1.569 9.230 7.954 1.00 0.00 C ATOM 925 C LEU A 65 -1.305 9.668 9.397 1.00 0.00 C ATOM 926 O LEU A 65 -0.176 9.696 9.843 1.00 0.00 O ATOM 927 CB LEU A 65 -0.917 7.867 7.707 1.00 0.00 C ATOM 928 CG LEU A 65 -1.295 7.337 6.323 1.00 0.00 C ATOM 929 CD1 LEU A 65 -0.303 6.244 5.914 1.00 0.00 C ATOM 930 CD2 LEU A 65 -2.707 6.746 6.372 1.00 0.00 C ATOM 0 H LEU A 65 0.102 10.332 7.210 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.647 9.204 7.797 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.167 7.956 7.786 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.236 7.160 8.473 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.266 8.151 5.599 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.568 5.863 4.928 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.704 6.660 5.884 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.338 5.431 6.639 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.978 6.368 5.386 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.735 5.930 7.094 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.415 7.519 6.671 1.00 0.00 H new ATOM 942 N ASP A 66 -2.325 10.007 10.136 1.00 0.00 N ATOM 943 CA ASP A 66 -2.100 10.432 11.544 1.00 0.00 C ATOM 944 C ASP A 66 -1.663 9.236 12.387 1.00 0.00 C ATOM 945 O ASP A 66 -1.773 8.098 11.976 1.00 0.00 O ATOM 946 CB ASP A 66 -3.446 10.955 12.033 1.00 0.00 C ATOM 947 CG ASP A 66 -3.234 11.859 13.250 1.00 0.00 C ATOM 948 OD1 ASP A 66 -2.279 11.628 13.974 1.00 0.00 O ATOM 949 OD2 ASP A 66 -4.031 12.763 13.439 1.00 0.00 O ATOM 0 H ASP A 66 -3.297 10.008 9.828 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.320 11.189 11.621 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.943 11.510 11.237 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.098 10.122 12.295 1.00 0.00 H new ATOM 954 N ARG A 67 -1.173 9.486 13.564 1.00 0.00 N ATOM 955 CA ARG A 67 -0.732 8.362 14.438 1.00 0.00 C ATOM 956 C ARG A 67 -1.768 7.232 14.408 1.00 0.00 C ATOM 957 O ARG A 67 -1.435 6.071 14.273 1.00 0.00 O ATOM 958 CB ARG A 67 -0.619 8.974 15.843 1.00 0.00 C ATOM 959 CG ARG A 67 -0.993 7.932 16.905 1.00 0.00 C ATOM 960 CD ARG A 67 -0.773 8.514 18.303 1.00 0.00 C ATOM 961 NE ARG A 67 0.666 8.899 18.339 1.00 0.00 N ATOM 962 CZ ARG A 67 1.041 9.965 18.994 1.00 0.00 C ATOM 963 NH1 ARG A 67 0.386 10.341 20.058 1.00 0.00 N ATOM 964 NH2 ARG A 67 2.071 10.654 18.585 1.00 0.00 N ATOM 0 H ARG A 67 -1.057 10.418 13.962 1.00 0.00 H new ATOM 0 HA ARG A 67 0.212 7.925 14.114 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.398 9.329 16.013 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -1.276 9.840 15.925 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.035 7.635 16.785 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.388 7.034 16.776 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.417 9.376 18.477 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.005 7.782 19.076 1.00 0.00 H new ATOM 0 HE ARG A 67 1.358 8.330 17.852 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -0.419 9.802 20.378 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.679 11.173 20.570 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.584 10.360 17.754 1.00 0.00 H new ATOM 0 HH22 ARG A 67 2.364 11.486 19.097 1.00 0.00 H new ATOM 978 N ASP A 68 -3.017 7.567 14.540 1.00 0.00 N ATOM 979 CA ASP A 68 -4.073 6.515 14.528 1.00 0.00 C ATOM 980 C ASP A 68 -4.352 6.085 13.093 1.00 0.00 C ATOM 981 O ASP A 68 -4.769 4.973 12.829 1.00 0.00 O ATOM 982 CB ASP A 68 -5.308 7.176 15.142 1.00 0.00 C ATOM 983 CG ASP A 68 -4.903 7.950 16.398 1.00 0.00 C ATOM 984 OD1 ASP A 68 -4.230 8.957 16.260 1.00 0.00 O ATOM 985 OD2 ASP A 68 -5.273 7.520 17.479 1.00 0.00 O ATOM 0 H ASP A 68 -3.355 8.522 14.656 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.779 5.624 15.082 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.769 7.850 14.420 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.052 6.419 15.392 1.00 0.00 H new ATOM 990 N GLU A 69 -4.114 6.961 12.164 1.00 0.00 N ATOM 991 CA GLU A 69 -4.348 6.619 10.737 1.00 0.00 C ATOM 992 C GLU A 69 -3.228 5.713 10.240 1.00 0.00 C ATOM 993 O GLU A 69 -3.450 4.771 9.505 1.00 0.00 O ATOM 994 CB GLU A 69 -4.318 7.955 10.005 1.00 0.00 C ATOM 995 CG GLU A 69 -5.375 7.951 8.910 1.00 0.00 C ATOM 996 CD GLU A 69 -5.733 9.391 8.538 1.00 0.00 C ATOM 997 OE1 GLU A 69 -5.474 10.271 9.342 1.00 0.00 O ATOM 998 OE2 GLU A 69 -6.261 9.589 7.456 1.00 0.00 O ATOM 0 H GLU A 69 -3.765 7.905 12.331 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.288 6.091 10.578 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.505 8.770 10.704 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.331 8.125 9.574 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.003 7.420 8.034 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.264 7.421 9.251 1.00 0.00 H new ATOM 1005 N PHE A 70 -2.025 5.987 10.650 1.00 0.00 N ATOM 1006 CA PHE A 70 -0.884 5.141 10.222 1.00 0.00 C ATOM 1007 C PHE A 70 -1.039 3.750 10.830 1.00 0.00 C ATOM 1008 O PHE A 70 -0.439 2.788 10.387 1.00 0.00 O ATOM 1009 CB PHE A 70 0.353 5.840 10.780 1.00 0.00 C ATOM 1010 CG PHE A 70 1.584 5.178 10.228 1.00 0.00 C ATOM 1011 CD1 PHE A 70 1.973 3.923 10.706 1.00 0.00 C ATOM 1012 CD2 PHE A 70 2.335 5.814 9.233 1.00 0.00 C ATOM 1013 CE1 PHE A 70 3.113 3.304 10.190 1.00 0.00 C ATOM 1014 CE2 PHE A 70 3.476 5.193 8.717 1.00 0.00 C ATOM 1015 CZ PHE A 70 3.864 3.939 9.196 1.00 0.00 C ATOM 0 H PHE A 70 -1.783 6.764 11.265 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.822 5.021 9.140 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.341 6.896 10.511 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.355 5.789 11.869 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.392 3.433 11.474 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.033 6.783 8.864 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.415 2.335 10.559 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.057 5.682 7.949 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.746 3.459 8.798 1.00 0.00 H new ATOM 1025 N ALA A 71 -1.856 3.640 11.840 1.00 0.00 N ATOM 1026 CA ALA A 71 -2.071 2.314 12.481 1.00 0.00 C ATOM 1027 C ALA A 71 -2.953 1.454 11.585 1.00 0.00 C ATOM 1028 O ALA A 71 -2.696 0.285 11.374 1.00 0.00 O ATOM 1029 CB ALA A 71 -2.784 2.620 13.798 1.00 0.00 C ATOM 0 H ALA A 71 -2.384 4.411 12.249 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.140 1.770 12.643 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.978 1.689 14.331 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.155 3.265 14.411 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.728 3.124 13.592 1.00 0.00 H new ATOM 1035 N VAL A 72 -3.986 2.033 11.051 1.00 0.00 N ATOM 1036 CA VAL A 72 -4.886 1.260 10.157 1.00 0.00 C ATOM 1037 C VAL A 72 -4.095 0.751 8.951 1.00 0.00 C ATOM 1038 O VAL A 72 -4.436 -0.245 8.344 1.00 0.00 O ATOM 1039 CB VAL A 72 -5.961 2.259 9.721 1.00 0.00 C ATOM 1040 CG1 VAL A 72 -6.960 1.566 8.793 1.00 0.00 C ATOM 1041 CG2 VAL A 72 -6.694 2.790 10.957 1.00 0.00 C ATOM 0 H VAL A 72 -4.247 3.009 11.194 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.322 0.389 10.646 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.492 3.088 9.191 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.724 2.279 8.484 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.438 1.189 7.913 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.430 0.736 9.320 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.460 3.502 10.648 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.162 1.960 11.487 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.982 3.286 11.617 1.00 0.00 H new ATOM 1051 N ALA A 73 -3.039 1.435 8.602 1.00 0.00 N ATOM 1052 CA ALA A 73 -2.220 1.003 7.433 1.00 0.00 C ATOM 1053 C ALA A 73 -1.102 0.049 7.866 1.00 0.00 C ATOM 1054 O ALA A 73 -0.375 -0.477 7.047 1.00 0.00 O ATOM 1055 CB ALA A 73 -1.636 2.296 6.869 1.00 0.00 C ATOM 0 H ALA A 73 -2.708 2.275 9.076 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.814 0.461 6.697 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.017 2.068 6.002 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.446 2.962 6.571 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.028 2.783 7.631 1.00 0.00 H new ATOM 1061 N MET A 74 -0.954 -0.184 9.143 1.00 0.00 N ATOM 1062 CA MET A 74 0.123 -1.111 9.606 1.00 0.00 C ATOM 1063 C MET A 74 -0.382 -2.548 9.583 1.00 0.00 C ATOM 1064 O MET A 74 0.273 -3.439 9.078 1.00 0.00 O ATOM 1065 CB MET A 74 0.439 -0.677 11.038 1.00 0.00 C ATOM 1066 CG MET A 74 1.419 0.497 11.015 1.00 0.00 C ATOM 1067 SD MET A 74 3.108 -0.136 10.886 1.00 0.00 S ATOM 1068 CE MET A 74 3.324 0.167 9.116 1.00 0.00 C ATOM 0 H MET A 74 -1.527 0.223 9.882 1.00 0.00 H new ATOM 0 HA MET A 74 1.006 -1.070 8.968 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.478 -0.388 11.552 1.00 0.00 H new ATOM 0 HB3 MET A 74 0.867 -1.510 11.595 1.00 0.00 H new ATOM 0 HG2 MET A 74 1.199 1.153 10.173 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.310 1.094 11.920 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.490 -0.780 8.602 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.429 0.644 8.717 1.00 0.00 H new ATOM 0 HE3 MET A 74 4.183 0.820 8.961 1.00 0.00 H new ATOM 1078 N PHE A 75 -1.547 -2.782 10.105 1.00 0.00 N ATOM 1079 CA PHE A 75 -2.090 -4.161 10.087 1.00 0.00 C ATOM 1080 C PHE A 75 -2.605 -4.452 8.678 1.00 0.00 C ATOM 1081 O PHE A 75 -2.660 -5.582 8.241 1.00 0.00 O ATOM 1082 CB PHE A 75 -3.210 -4.177 11.135 1.00 0.00 C ATOM 1083 CG PHE A 75 -4.504 -3.701 10.524 1.00 0.00 C ATOM 1084 CD1 PHE A 75 -5.255 -4.561 9.716 1.00 0.00 C ATOM 1085 CD2 PHE A 75 -4.950 -2.401 10.768 1.00 0.00 C ATOM 1086 CE1 PHE A 75 -6.455 -4.118 9.150 1.00 0.00 C ATOM 1087 CE2 PHE A 75 -6.146 -1.956 10.203 1.00 0.00 C ATOM 1088 CZ PHE A 75 -6.901 -2.815 9.392 1.00 0.00 C ATOM 0 H PHE A 75 -2.145 -2.081 10.542 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.353 -4.928 10.325 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.335 -5.186 11.529 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.940 -3.538 11.976 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.908 -5.567 9.529 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.370 -1.740 11.394 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.036 -4.781 8.527 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -6.490 -0.950 10.391 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.826 -2.471 8.954 1.00 0.00 H new ATOM 1098 N LEU A 76 -2.948 -3.418 7.954 1.00 0.00 N ATOM 1099 CA LEU A 76 -3.419 -3.611 6.558 1.00 0.00 C ATOM 1100 C LEU A 76 -2.226 -4.022 5.701 1.00 0.00 C ATOM 1101 O LEU A 76 -2.365 -4.667 4.679 1.00 0.00 O ATOM 1102 CB LEU A 76 -3.960 -2.248 6.124 1.00 0.00 C ATOM 1103 CG LEU A 76 -5.475 -2.213 6.331 1.00 0.00 C ATOM 1104 CD1 LEU A 76 -6.013 -0.834 5.947 1.00 0.00 C ATOM 1105 CD2 LEU A 76 -6.134 -3.280 5.451 1.00 0.00 C ATOM 0 H LEU A 76 -2.921 -2.450 8.273 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.183 -4.382 6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.485 -1.455 6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.721 -2.066 5.076 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.702 -2.412 7.378 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.093 -0.811 6.095 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.544 -0.074 6.572 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.786 -0.633 4.900 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.214 -3.256 5.597 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.905 -3.080 4.404 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.752 -4.264 5.724 1.00 0.00 H new ATOM 1117 N VAL A 77 -1.046 -3.663 6.130 1.00 0.00 N ATOM 1118 CA VAL A 77 0.174 -4.038 5.377 1.00 0.00 C ATOM 1119 C VAL A 77 0.701 -5.363 5.913 1.00 0.00 C ATOM 1120 O VAL A 77 0.766 -6.348 5.207 1.00 0.00 O ATOM 1121 CB VAL A 77 1.166 -2.895 5.642 1.00 0.00 C ATOM 1122 CG1 VAL A 77 2.551 -3.262 5.090 1.00 0.00 C ATOM 1123 CG2 VAL A 77 0.661 -1.634 4.939 1.00 0.00 C ATOM 0 H VAL A 77 -0.879 -3.121 6.978 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.000 -4.170 4.309 1.00 0.00 H new ATOM 0 HB VAL A 77 1.246 -2.723 6.715 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.247 -2.446 5.282 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.909 -4.168 5.579 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.481 -3.433 4.016 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.356 -0.814 5.119 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.588 -1.819 3.867 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.322 -1.369 5.329 1.00 0.00 H new ATOM 1133 N TYR A 78 1.070 -5.390 7.162 1.00 0.00 N ATOM 1134 CA TYR A 78 1.602 -6.642 7.765 1.00 0.00 C ATOM 1135 C TYR A 78 0.707 -7.843 7.451 1.00 0.00 C ATOM 1136 O TYR A 78 1.140 -8.977 7.504 1.00 0.00 O ATOM 1137 CB TYR A 78 1.630 -6.373 9.265 1.00 0.00 C ATOM 1138 CG TYR A 78 3.032 -5.993 9.667 1.00 0.00 C ATOM 1139 CD1 TYR A 78 4.106 -6.813 9.303 1.00 0.00 C ATOM 1140 CD2 TYR A 78 3.257 -4.819 10.395 1.00 0.00 C ATOM 1141 CE1 TYR A 78 5.410 -6.457 9.669 1.00 0.00 C ATOM 1142 CE2 TYR A 78 4.559 -4.464 10.762 1.00 0.00 C ATOM 1143 CZ TYR A 78 5.636 -5.283 10.399 1.00 0.00 C ATOM 1144 OH TYR A 78 6.921 -4.933 10.759 1.00 0.00 O ATOM 0 H TYR A 78 1.025 -4.592 7.796 1.00 0.00 H new ATOM 0 HA TYR A 78 2.586 -6.890 7.367 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.935 -5.572 9.517 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.308 -7.259 9.813 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.930 -7.718 8.741 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.426 -4.188 10.673 1.00 0.00 H new ATOM 0 HE1 TYR A 78 6.241 -7.087 9.389 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.734 -3.559 11.325 1.00 0.00 H new ATOM 0 HH TYR A 78 6.902 -4.091 11.260 1.00 0.00 H new ATOM 1154 N CYS A 79 -0.532 -7.613 7.126 1.00 0.00 N ATOM 1155 CA CYS A 79 -1.432 -8.758 6.816 1.00 0.00 C ATOM 1156 C CYS A 79 -1.298 -9.140 5.344 1.00 0.00 C ATOM 1157 O CYS A 79 -1.713 -10.204 4.929 1.00 0.00 O ATOM 1158 CB CYS A 79 -2.842 -8.250 7.112 1.00 0.00 C ATOM 1159 SG CYS A 79 -3.247 -8.567 8.846 1.00 0.00 S ATOM 0 H CYS A 79 -0.959 -6.689 7.061 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.192 -9.645 7.402 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.907 -7.182 6.902 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.563 -8.747 6.463 1.00 0.00 H new ATOM 0 HG CYS A 79 -3.188 -7.454 9.516 1.00 0.00 H new ATOM 1165 N ALA A 80 -0.707 -8.289 4.553 1.00 0.00 N ATOM 1166 CA ALA A 80 -0.540 -8.614 3.114 1.00 0.00 C ATOM 1167 C ALA A 80 0.779 -9.355 2.914 1.00 0.00 C ATOM 1168 O ALA A 80 1.047 -9.900 1.862 1.00 0.00 O ATOM 1169 CB ALA A 80 -0.525 -7.265 2.398 1.00 0.00 C ATOM 0 H ALA A 80 -0.334 -7.385 4.842 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.333 -9.256 2.730 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.404 -7.423 1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.464 -6.744 2.584 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.304 -6.664 2.772 1.00 0.00 H new ATOM 1175 N LEU A 81 1.598 -9.393 3.929 1.00 0.00 N ATOM 1176 CA LEU A 81 2.890 -10.117 3.811 1.00 0.00 C ATOM 1177 C LEU A 81 2.673 -11.579 4.166 1.00 0.00 C ATOM 1178 O LEU A 81 3.153 -12.474 3.501 1.00 0.00 O ATOM 1179 CB LEU A 81 3.823 -9.461 4.827 1.00 0.00 C ATOM 1180 CG LEU A 81 4.215 -8.078 4.325 1.00 0.00 C ATOM 1181 CD1 LEU A 81 3.056 -7.120 4.550 1.00 0.00 C ATOM 1182 CD2 LEU A 81 5.445 -7.586 5.087 1.00 0.00 C ATOM 0 H LEU A 81 1.426 -8.954 4.833 1.00 0.00 H new ATOM 0 HA LEU A 81 3.304 -10.071 2.804 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.329 -9.383 5.795 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.712 -10.074 4.971 1.00 0.00 H new ATOM 0 HG LEU A 81 4.449 -8.126 3.262 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.330 -6.127 4.193 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.181 -7.473 4.005 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.825 -7.072 5.614 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.724 -6.596 4.727 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.217 -7.533 6.152 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.273 -8.277 4.927 1.00 0.00 H new ATOM 1194 N GLU A 82 1.940 -11.822 5.213 1.00 0.00 N ATOM 1195 CA GLU A 82 1.676 -13.224 5.619 1.00 0.00 C ATOM 1196 C GLU A 82 0.705 -13.874 4.633 1.00 0.00 C ATOM 1197 O GLU A 82 0.984 -14.915 4.071 1.00 0.00 O ATOM 1198 CB GLU A 82 1.055 -13.126 7.013 1.00 0.00 C ATOM 1199 CG GLU A 82 2.161 -12.913 8.051 1.00 0.00 C ATOM 1200 CD GLU A 82 1.546 -12.855 9.451 1.00 0.00 C ATOM 1201 OE1 GLU A 82 0.375 -13.176 9.577 1.00 0.00 O ATOM 1202 OE2 GLU A 82 2.255 -12.490 10.374 1.00 0.00 O ATOM 0 H GLU A 82 1.513 -11.109 5.804 1.00 0.00 H new ATOM 0 HA GLU A 82 2.579 -13.835 5.626 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.344 -12.301 7.049 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.499 -14.036 7.240 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.887 -13.724 7.995 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.698 -11.988 7.840 1.00 0.00 H new ATOM 1260 N VAL A 86 -5.797 -7.088 0.882 1.00 0.00 N ATOM 1261 CA VAL A 86 -6.479 -5.830 1.308 1.00 0.00 C ATOM 1262 C VAL A 86 -7.560 -5.434 0.293 1.00 0.00 C ATOM 1263 O VAL A 86 -7.276 -5.253 -0.874 1.00 0.00 O ATOM 1264 CB VAL A 86 -5.367 -4.781 1.347 1.00 0.00 C ATOM 1265 CG1 VAL A 86 -5.972 -3.398 1.588 1.00 0.00 C ATOM 1266 CG2 VAL A 86 -4.394 -5.117 2.480 1.00 0.00 C ATOM 0 HA VAL A 86 -6.980 -5.936 2.270 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.835 -4.780 0.395 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.177 -2.653 1.615 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.666 -3.159 0.782 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.505 -3.395 2.539 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.600 -4.371 2.511 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.928 -5.118 3.430 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.960 -6.102 2.307 1.00 0.00 H new ATOM 1276 N PRO A 87 -8.771 -5.313 0.776 1.00 0.00 N ATOM 1277 CA PRO A 87 -9.905 -4.934 -0.097 1.00 0.00 C ATOM 1278 C PRO A 87 -9.926 -3.419 -0.303 1.00 0.00 C ATOM 1279 O PRO A 87 -8.969 -2.732 -0.011 1.00 0.00 O ATOM 1280 CB PRO A 87 -11.129 -5.393 0.688 1.00 0.00 C ATOM 1281 CG PRO A 87 -10.702 -5.409 2.125 1.00 0.00 C ATOM 1282 CD PRO A 87 -9.194 -5.512 2.165 1.00 0.00 C ATOM 0 HA PRO A 87 -9.853 -5.379 -1.091 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -11.969 -4.715 0.536 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -11.454 -6.382 0.364 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -11.035 -4.503 2.631 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -11.155 -6.251 2.648 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.763 -4.757 2.822 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.873 -6.483 2.541 1.00 0.00 H new ATOM 1290 N MET A 88 -11.007 -2.894 -0.805 1.00 0.00 N ATOM 1291 CA MET A 88 -11.086 -1.419 -1.027 1.00 0.00 C ATOM 1292 C MET A 88 -12.239 -0.819 -0.235 1.00 0.00 C ATOM 1293 O MET A 88 -12.692 0.269 -0.526 1.00 0.00 O ATOM 1294 CB MET A 88 -11.394 -1.242 -2.506 1.00 0.00 C ATOM 1295 CG MET A 88 -10.231 -1.745 -3.355 1.00 0.00 C ATOM 1296 SD MET A 88 -10.471 -1.222 -5.071 1.00 0.00 S ATOM 1297 CE MET A 88 -11.539 -2.591 -5.578 1.00 0.00 C ATOM 0 H MET A 88 -11.840 -3.419 -1.072 1.00 0.00 H new ATOM 0 HA MET A 88 -10.161 -0.933 -0.718 1.00 0.00 H new ATOM 0 HB2 MET A 88 -12.302 -1.787 -2.763 1.00 0.00 H new ATOM 0 HB3 MET A 88 -11.582 -0.190 -2.722 1.00 0.00 H new ATOM 0 HG2 MET A 88 -9.289 -1.352 -2.972 1.00 0.00 H new ATOM 0 HG3 MET A 88 -10.169 -2.832 -3.300 1.00 0.00 H new ATOM 0 HE1 MET A 88 -11.815 -2.469 -6.626 1.00 0.00 H new ATOM 0 HE2 MET A 88 -11.007 -3.534 -5.450 1.00 0.00 H new ATOM 0 HE3 MET A 88 -12.440 -2.596 -4.964 1.00 0.00 H new ATOM 1307 N SER A 89 -12.750 -1.514 0.733 1.00 0.00 N ATOM 1308 CA SER A 89 -13.902 -0.947 1.478 1.00 0.00 C ATOM 1309 C SER A 89 -13.573 -0.708 2.938 1.00 0.00 C ATOM 1310 O SER A 89 -13.694 -1.582 3.769 1.00 0.00 O ATOM 1311 CB SER A 89 -15.000 -1.983 1.366 1.00 0.00 C ATOM 1312 OG SER A 89 -15.500 -2.007 0.036 1.00 0.00 O ATOM 0 H SER A 89 -12.429 -2.433 1.038 1.00 0.00 H new ATOM 0 HA SER A 89 -14.187 0.021 1.065 1.00 0.00 H new ATOM 0 HB2 SER A 89 -14.615 -2.966 1.638 1.00 0.00 H new ATOM 0 HB3 SER A 89 -15.805 -1.751 2.064 1.00 0.00 H new ATOM 0 HG SER A 89 -16.209 -2.679 -0.035 1.00 0.00 H new ATOM 1318 N LEU A 90 -13.192 0.485 3.251 1.00 0.00 N ATOM 1319 CA LEU A 90 -12.877 0.824 4.666 1.00 0.00 C ATOM 1320 C LEU A 90 -14.094 0.528 5.545 1.00 0.00 C ATOM 1321 O LEU A 90 -15.073 1.247 5.502 1.00 0.00 O ATOM 1322 CB LEU A 90 -12.582 2.324 4.652 1.00 0.00 C ATOM 1323 CG LEU A 90 -11.208 2.584 5.267 1.00 0.00 C ATOM 1324 CD1 LEU A 90 -10.881 4.076 5.176 1.00 0.00 C ATOM 1325 CD2 LEU A 90 -11.220 2.159 6.737 1.00 0.00 C ATOM 0 H LEU A 90 -13.082 1.252 2.588 1.00 0.00 H new ATOM 0 HA LEU A 90 -12.040 0.248 5.062 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -12.611 2.701 3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -13.349 2.861 5.211 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.455 2.012 4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -9.901 4.261 5.615 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -10.874 4.384 4.130 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -11.635 4.647 5.718 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.240 2.344 7.177 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -11.974 2.733 7.276 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -11.454 1.097 6.807 1.00 0.00 H new ATOM 1337 N PRO A 91 -14.002 -0.526 6.313 1.00 0.00 N ATOM 1338 CA PRO A 91 -15.124 -0.907 7.200 1.00 0.00 C ATOM 1339 C PRO A 91 -15.176 0.035 8.405 1.00 0.00 C ATOM 1340 O PRO A 91 -14.268 0.811 8.624 1.00 0.00 O ATOM 1341 CB PRO A 91 -14.780 -2.330 7.627 1.00 0.00 C ATOM 1342 CG PRO A 91 -13.293 -2.424 7.501 1.00 0.00 C ATOM 1343 CD PRO A 91 -12.863 -1.446 6.434 1.00 0.00 C ATOM 0 HA PRO A 91 -16.100 -0.845 6.719 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -15.102 -2.524 8.650 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -15.277 -3.063 6.992 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -12.813 -2.190 8.451 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -12.995 -3.438 7.234 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -11.953 -0.919 6.720 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -12.656 -1.951 5.490 1.00 0.00 H new ATOM 1351 N PRO A 92 -16.246 -0.059 9.145 1.00 0.00 N ATOM 1352 CA PRO A 92 -16.419 0.806 10.335 1.00 0.00 C ATOM 1353 C PRO A 92 -15.491 0.371 11.468 1.00 0.00 C ATOM 1354 O PRO A 92 -15.302 1.083 12.437 1.00 0.00 O ATOM 1355 CB PRO A 92 -17.882 0.601 10.716 1.00 0.00 C ATOM 1356 CG PRO A 92 -18.243 -0.741 10.161 1.00 0.00 C ATOM 1357 CD PRO A 92 -17.381 -0.967 8.947 1.00 0.00 C ATOM 0 HA PRO A 92 -16.175 1.850 10.139 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -18.016 0.630 11.797 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -18.513 1.384 10.296 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -18.075 -1.522 10.903 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -19.299 -0.776 9.895 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -17.055 -2.005 8.876 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -17.919 -0.739 8.027 1.00 0.00 H new ATOM 1365 N ALA A 93 -14.901 -0.782 11.357 1.00 0.00 N ATOM 1366 CA ALA A 93 -13.979 -1.245 12.429 1.00 0.00 C ATOM 1367 C ALA A 93 -12.573 -0.703 12.162 1.00 0.00 C ATOM 1368 O ALA A 93 -11.620 -1.073 12.816 1.00 0.00 O ATOM 1369 CB ALA A 93 -13.996 -2.771 12.339 1.00 0.00 C ATOM 0 H ALA A 93 -15.016 -1.424 10.573 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.278 -0.900 13.419 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -13.337 -3.188 13.101 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -15.011 -3.134 12.499 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -13.652 -3.081 11.352 1.00 0.00 H new ATOM 1375 N LEU A 94 -12.439 0.171 11.201 1.00 0.00 N ATOM 1376 CA LEU A 94 -11.097 0.735 10.887 1.00 0.00 C ATOM 1377 C LEU A 94 -11.053 2.229 11.208 1.00 0.00 C ATOM 1378 O LEU A 94 -10.090 2.908 10.911 1.00 0.00 O ATOM 1379 CB LEU A 94 -10.920 0.529 9.381 1.00 0.00 C ATOM 1380 CG LEU A 94 -10.036 -0.689 9.117 1.00 0.00 C ATOM 1381 CD1 LEU A 94 -8.751 -0.584 9.937 1.00 0.00 C ATOM 1382 CD2 LEU A 94 -10.796 -1.955 9.506 1.00 0.00 C ATOM 0 H LEU A 94 -13.202 0.518 10.620 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.312 0.254 11.471 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -11.892 0.391 8.908 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -10.472 1.417 8.935 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.778 -0.729 8.059 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.125 -1.455 9.745 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.212 0.320 9.654 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.999 -0.542 10.998 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.170 -2.827 9.320 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -11.055 -1.913 10.564 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -11.707 -2.029 8.912 1.00 0.00 H new ATOM 1394 N VAL A 95 -12.088 2.753 11.799 1.00 0.00 N ATOM 1395 CA VAL A 95 -12.090 4.209 12.114 1.00 0.00 C ATOM 1396 C VAL A 95 -12.245 4.437 13.620 1.00 0.00 C ATOM 1397 O VAL A 95 -13.191 3.973 14.225 1.00 0.00 O ATOM 1398 CB VAL A 95 -13.295 4.771 11.361 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -14.570 4.098 11.867 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -13.384 6.280 11.598 1.00 0.00 C ATOM 0 H VAL A 95 -12.927 2.243 12.076 1.00 0.00 H new ATOM 0 HA VAL A 95 -11.158 4.692 11.821 1.00 0.00 H new ATOM 0 HB VAL A 95 -13.182 4.577 10.294 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -15.430 4.498 11.330 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -14.505 3.023 11.699 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -14.685 4.292 12.933 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -14.243 6.683 11.061 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -13.498 6.475 12.664 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -12.474 6.759 11.237 1.00 0.00 H new