USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 960 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 51 LYS NZ :NH3+ -127:sc= -0.223 (180deg=0) USER MOD Set 1.2: A 53 GLN : amide:sc= -1.01 X(o=-1.2,f=-1.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0295 USER MOD Single : A 3 HIS : no HD1:sc= 0.00343 X(o=0.0034,f=-0.28) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0379 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -101:sc= -0.667 USER MOD Single : A 29 CYS SG : rot -25:sc= 0.00428 USER MOD Single : A 33 HIS : no HD1:sc= -3.37! C(o=-3.4!,f=-3.4!) USER MOD Single : A 38 THR OG1 : rot -165:sc= -1.65! USER MOD Single : A 40 SER OG : rot 17:sc= -0.12! USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.025) USER MOD Single : A 62 ASN : amide:sc= -0.168 X(o=-0.17,f=0) USER MOD Single : A 68 SER OG : rot -123:sc= -4.1! USER MOD Single : A 69 TYR OH : rot 14:sc= -1.21! USER MOD Single : A 79 ASN : amide:sc= -14! C(o=-14!,f=-12!) USER MOD Single : A 86 THR OG1 : rot -126:sc= -3.44! USER MOD Single : A 88 TYR OH : rot 110:sc= -0.956 USER MOD Single : A 90 SER OG : rot 49:sc= -0.315 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0.142 (180deg=0.142) USER MOD Single : A 95 THR OG1 : rot 127:sc= -1.54! USER MOD Single : A 97 TYR OH : rot 102:sc= 0.923 USER MOD Single : A 98 SER OG : rot 180:sc= -1.12! USER MOD Single : A 99 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.016) USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.438 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot -140:sc= -1.24 USER MOD Single : A 118 GLN : amide:sc= -3.5! K(o=-3.5!,f=-1.1) USER MOD Single : A 120 SER OG : rot 75:sc= 0.107 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.609 7.309 8.878 1.00 0.00 N ATOM 2 CA GLY A 1 15.252 7.462 9.476 1.00 0.00 C ATOM 3 C GLY A 1 14.824 8.928 9.406 1.00 0.00 C ATOM 4 O GLY A 1 13.860 9.271 8.751 1.00 0.00 O ATOM 0 H1 GLY A 1 16.899 6.311 8.926 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.587 7.616 7.884 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.289 7.893 9.406 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.536 6.837 8.942 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.260 7.124 10.512 1.00 0.00 H new ATOM 10 N SER A 2 15.530 9.795 10.076 1.00 0.00 N ATOM 11 CA SER A 2 15.159 11.239 10.047 1.00 0.00 C ATOM 12 C SER A 2 15.639 11.884 8.744 1.00 0.00 C ATOM 13 O SER A 2 16.014 11.208 7.806 1.00 0.00 O ATOM 14 CB SER A 2 15.879 11.857 11.244 1.00 0.00 C ATOM 15 OG SER A 2 15.918 10.914 12.307 1.00 0.00 O ATOM 0 H SER A 2 16.347 9.568 10.642 1.00 0.00 H new ATOM 0 HA SER A 2 14.080 11.388 10.097 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.891 12.148 10.963 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.364 12.763 11.565 1.00 0.00 H new ATOM 0 HG SER A 2 16.381 11.307 13.076 1.00 0.00 H new ATOM 21 N HIS A 3 15.634 13.187 8.682 1.00 0.00 N ATOM 22 CA HIS A 3 16.095 13.878 7.444 1.00 0.00 C ATOM 23 C HIS A 3 15.164 13.551 6.270 1.00 0.00 C ATOM 24 O HIS A 3 14.185 12.850 6.425 1.00 0.00 O ATOM 25 CB HIS A 3 17.500 13.328 7.191 1.00 0.00 C ATOM 26 CG HIS A 3 18.408 14.445 6.756 1.00 0.00 C ATOM 27 ND1 HIS A 3 18.751 14.643 5.429 1.00 0.00 N ATOM 28 CD2 HIS A 3 19.055 15.428 7.462 1.00 0.00 C ATOM 29 CE1 HIS A 3 19.572 15.707 5.376 1.00 0.00 C ATOM 30 NE2 HIS A 3 19.790 16.225 6.588 1.00 0.00 N ATOM 0 H HIS A 3 15.330 13.804 9.435 1.00 0.00 H new ATOM 0 HA HIS A 3 16.093 14.963 7.549 1.00 0.00 H new ATOM 0 HB2 HIS A 3 17.888 12.862 8.097 1.00 0.00 H new ATOM 0 HB3 HIS A 3 17.466 12.554 6.424 1.00 0.00 H new ATOM 0 HD2 HIS A 3 19.002 15.563 8.532 1.00 0.00 H new ATOM 0 HE1 HIS A 3 20.003 16.095 4.465 1.00 0.00 H new ATOM 0 HE2 HIS A 3 20.370 17.031 6.823 1.00 0.00 H new ATOM 38 N MET A 4 15.471 14.063 5.101 1.00 0.00 N ATOM 39 CA MET A 4 14.622 13.804 3.893 1.00 0.00 C ATOM 40 C MET A 4 13.142 13.662 4.268 1.00 0.00 C ATOM 41 O MET A 4 12.462 12.770 3.802 1.00 0.00 O ATOM 42 CB MET A 4 15.168 12.502 3.288 1.00 0.00 C ATOM 43 CG MET A 4 14.665 11.285 4.076 1.00 0.00 C ATOM 44 SD MET A 4 13.899 10.105 2.936 1.00 0.00 S ATOM 45 CE MET A 4 14.145 8.620 3.943 1.00 0.00 C ATOM 0 H MET A 4 16.283 14.656 4.931 1.00 0.00 H new ATOM 0 HA MET A 4 14.669 14.632 3.185 1.00 0.00 H new ATOM 0 HB2 MET A 4 14.857 12.421 2.246 1.00 0.00 H new ATOM 0 HB3 MET A 4 16.258 12.521 3.295 1.00 0.00 H new ATOM 0 HG2 MET A 4 15.493 10.812 4.604 1.00 0.00 H new ATOM 0 HG3 MET A 4 13.944 11.599 4.830 1.00 0.00 H new ATOM 0 HE1 MET A 4 13.738 7.754 3.420 1.00 0.00 H new ATOM 0 HE2 MET A 4 15.211 8.471 4.117 1.00 0.00 H new ATOM 0 HE3 MET A 4 13.634 8.740 4.898 1.00 0.00 H new ATOM 55 N THR A 5 12.637 14.534 5.100 1.00 0.00 N ATOM 56 CA THR A 5 11.203 14.446 5.492 1.00 0.00 C ATOM 57 C THR A 5 10.535 15.810 5.327 1.00 0.00 C ATOM 58 O THR A 5 11.191 16.833 5.310 1.00 0.00 O ATOM 59 CB THR A 5 11.213 14.032 6.962 1.00 0.00 C ATOM 60 OG1 THR A 5 12.379 14.547 7.589 1.00 0.00 O ATOM 61 CG2 THR A 5 11.205 12.507 7.066 1.00 0.00 C ATOM 0 H THR A 5 13.157 15.303 5.524 1.00 0.00 H new ATOM 0 HA THR A 5 10.649 13.737 4.876 1.00 0.00 H new ATOM 0 HB THR A 5 10.328 14.430 7.458 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.386 14.284 8.533 1.00 0.00 H new ATOM 0 HG21 THR A 5 11.212 12.214 8.116 1.00 0.00 H new ATOM 0 HG22 THR A 5 10.309 12.114 6.586 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.088 12.104 6.571 1.00 0.00 H new ATOM 69 N GLU A 6 9.238 15.837 5.212 1.00 0.00 N ATOM 70 CA GLU A 6 8.535 17.140 5.057 1.00 0.00 C ATOM 71 C GLU A 6 7.019 16.924 5.041 1.00 0.00 C ATOM 72 O GLU A 6 6.342 17.272 4.094 1.00 0.00 O ATOM 73 CB GLU A 6 9.015 17.702 3.716 1.00 0.00 C ATOM 74 CG GLU A 6 8.866 16.641 2.622 1.00 0.00 C ATOM 75 CD GLU A 6 9.930 16.865 1.548 1.00 0.00 C ATOM 76 OE1 GLU A 6 11.071 17.100 1.911 1.00 0.00 O ATOM 77 OE2 GLU A 6 9.587 16.796 0.379 1.00 0.00 O ATOM 0 H GLU A 6 8.635 15.015 5.219 1.00 0.00 H new ATOM 0 HA GLU A 6 8.750 17.823 5.879 1.00 0.00 H new ATOM 0 HB2 GLU A 6 8.437 18.589 3.456 1.00 0.00 H new ATOM 0 HB3 GLU A 6 10.057 18.012 3.794 1.00 0.00 H new ATOM 0 HG2 GLU A 6 8.970 15.644 3.050 1.00 0.00 H new ATOM 0 HG3 GLU A 6 7.871 16.696 2.180 1.00 0.00 H new ATOM 84 N ARG A 7 6.482 16.348 6.083 1.00 0.00 N ATOM 85 CA ARG A 7 5.011 16.107 6.127 1.00 0.00 C ATOM 86 C ARG A 7 4.583 15.264 4.932 1.00 0.00 C ATOM 87 O ARG A 7 3.570 15.517 4.312 1.00 0.00 O ATOM 88 CB ARG A 7 4.370 17.486 6.041 1.00 0.00 C ATOM 89 CG ARG A 7 5.015 18.423 7.067 1.00 0.00 C ATOM 90 CD ARG A 7 4.810 19.876 6.633 1.00 0.00 C ATOM 91 NE ARG A 7 6.150 20.332 6.169 1.00 0.00 N ATOM 92 CZ ARG A 7 6.254 21.380 5.399 1.00 0.00 C ATOM 93 NH1 ARG A 7 6.227 22.576 5.920 1.00 0.00 N ATOM 94 NH2 ARG A 7 6.382 21.232 4.109 1.00 0.00 N ATOM 0 H ARG A 7 6.998 16.034 6.905 1.00 0.00 H new ATOM 0 HA ARG A 7 4.715 15.574 7.030 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.492 17.892 5.037 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.298 17.411 6.226 1.00 0.00 H new ATOM 0 HG2 ARG A 7 4.574 18.261 8.051 1.00 0.00 H new ATOM 0 HG3 ARG A 7 6.079 18.206 7.155 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.070 19.949 5.836 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.449 20.488 7.460 1.00 0.00 H new ATOM 0 HE ARG A 7 6.988 19.824 6.454 1.00 0.00 H new ATOM 0 HH11 ARG A 7 6.125 22.691 6.928 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.308 23.396 5.319 1.00 0.00 H new ATOM 0 HH21 ARG A 7 6.401 20.297 3.702 1.00 0.00 H new ATOM 0 HH22 ARG A 7 6.463 22.052 3.507 1.00 0.00 H new ATOM 108 N ARG A 8 5.344 14.265 4.601 1.00 0.00 N ATOM 109 CA ARG A 8 4.978 13.412 3.446 1.00 0.00 C ATOM 110 C ARG A 8 4.470 12.064 3.956 1.00 0.00 C ATOM 111 O ARG A 8 5.135 11.382 4.711 1.00 0.00 O ATOM 112 CB ARG A 8 6.275 13.264 2.650 1.00 0.00 C ATOM 113 CG ARG A 8 6.851 14.655 2.367 1.00 0.00 C ATOM 114 CD ARG A 8 5.766 15.543 1.754 1.00 0.00 C ATOM 115 NE ARG A 8 6.422 16.203 0.593 1.00 0.00 N ATOM 116 CZ ARG A 8 5.884 17.263 0.058 1.00 0.00 C ATOM 117 NH1 ARG A 8 4.685 17.197 -0.451 1.00 0.00 N ATOM 118 NH2 ARG A 8 6.544 18.389 0.033 1.00 0.00 N ATOM 0 H ARG A 8 6.205 14.002 5.081 1.00 0.00 H new ATOM 0 HA ARG A 8 4.184 13.832 2.829 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.994 12.666 3.210 1.00 0.00 H new ATOM 0 HB3 ARG A 8 6.084 12.739 1.714 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.222 15.101 3.290 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.699 14.577 1.687 1.00 0.00 H new ATOM 0 HD2 ARG A 8 4.905 14.954 1.439 1.00 0.00 H new ATOM 0 HD3 ARG A 8 5.404 16.278 2.473 1.00 0.00 H new ATOM 0 HE ARG A 8 7.292 15.826 0.216 1.00 0.00 H new ATOM 0 HH11 ARG A 8 4.170 16.317 -0.430 1.00 0.00 H new ATOM 0 HH12 ARG A 8 4.263 18.025 -0.870 1.00 0.00 H new ATOM 0 HH21 ARG A 8 7.481 18.440 0.432 1.00 0.00 H new ATOM 0 HH22 ARG A 8 6.122 19.218 -0.386 1.00 0.00 H new ATOM 132 N LEU A 9 3.293 11.679 3.555 1.00 0.00 N ATOM 133 CA LEU A 9 2.744 10.387 4.022 1.00 0.00 C ATOM 134 C LEU A 9 3.601 9.268 3.461 1.00 0.00 C ATOM 135 O LEU A 9 4.441 9.492 2.608 1.00 0.00 O ATOM 136 CB LEU A 9 1.319 10.320 3.469 1.00 0.00 C ATOM 137 CG LEU A 9 0.475 9.384 4.337 1.00 0.00 C ATOM 138 CD1 LEU A 9 -0.438 10.207 5.249 1.00 0.00 C ATOM 139 CD2 LEU A 9 -0.380 8.493 3.435 1.00 0.00 C ATOM 0 H LEU A 9 2.690 12.206 2.924 1.00 0.00 H new ATOM 0 HA LEU A 9 2.739 10.292 5.108 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.877 11.316 3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.334 9.963 2.439 1.00 0.00 H new ATOM 0 HG LEU A 9 1.133 8.767 4.948 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.037 9.536 5.865 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.169 10.845 5.891 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.097 10.827 4.641 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.983 7.825 4.050 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.035 9.115 2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.268 7.904 2.786 1.00 0.00 H new ATOM 151 N ARG A 10 3.423 8.068 3.918 1.00 0.00 N ATOM 152 CA ARG A 10 4.271 6.987 3.374 1.00 0.00 C ATOM 153 C ARG A 10 3.413 5.817 2.882 1.00 0.00 C ATOM 154 O ARG A 10 2.579 5.295 3.598 1.00 0.00 O ATOM 155 CB ARG A 10 5.165 6.560 4.538 1.00 0.00 C ATOM 156 CG ARG A 10 5.798 7.797 5.181 1.00 0.00 C ATOM 157 CD ARG A 10 6.760 8.459 4.192 1.00 0.00 C ATOM 158 NE ARG A 10 7.958 8.824 5.001 1.00 0.00 N ATOM 159 CZ ARG A 10 8.622 9.914 4.728 1.00 0.00 C ATOM 160 NH1 ARG A 10 8.010 11.065 4.719 1.00 0.00 N ATOM 161 NH2 ARG A 10 9.900 9.856 4.469 1.00 0.00 N ATOM 0 H ARG A 10 2.744 7.793 4.628 1.00 0.00 H new ATOM 0 HA ARG A 10 4.854 7.318 2.515 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.580 6.013 5.277 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.943 5.884 4.183 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.021 8.503 5.475 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.332 7.514 6.088 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.023 7.778 3.382 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.310 9.340 3.734 1.00 0.00 H new ATOM 0 HE ARG A 10 8.259 8.222 5.768 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.012 11.114 4.925 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.529 11.917 4.506 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.382 8.957 4.480 1.00 0.00 H new ATOM 0 HH22 ARG A 10 10.416 10.709 4.256 1.00 0.00 H new ATOM 175 N VAL A 11 3.616 5.404 1.663 1.00 0.00 N ATOM 176 CA VAL A 11 2.820 4.272 1.114 1.00 0.00 C ATOM 177 C VAL A 11 3.730 3.078 0.818 1.00 0.00 C ATOM 178 O VAL A 11 4.306 2.979 -0.245 1.00 0.00 O ATOM 179 CB VAL A 11 2.211 4.817 -0.181 1.00 0.00 C ATOM 180 CG1 VAL A 11 1.281 5.984 0.147 1.00 0.00 C ATOM 181 CG2 VAL A 11 3.329 5.307 -1.106 1.00 0.00 C ATOM 0 H VAL A 11 4.301 5.803 1.021 1.00 0.00 H new ATOM 0 HA VAL A 11 2.059 3.922 1.811 1.00 0.00 H new ATOM 0 HB VAL A 11 1.647 4.027 -0.677 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.847 6.373 -0.774 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.484 5.640 0.807 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.847 6.773 0.642 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.895 5.695 -2.028 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.892 6.097 -0.609 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.997 4.478 -1.340 1.00 0.00 H new ATOM 191 N LEU A 12 3.865 2.168 1.746 1.00 0.00 N ATOM 192 CA LEU A 12 4.741 0.984 1.497 1.00 0.00 C ATOM 193 C LEU A 12 4.093 0.100 0.432 1.00 0.00 C ATOM 194 O LEU A 12 3.409 -0.856 0.739 1.00 0.00 O ATOM 195 CB LEU A 12 4.808 0.238 2.834 1.00 0.00 C ATOM 196 CG LEU A 12 5.916 0.819 3.721 1.00 0.00 C ATOM 197 CD1 LEU A 12 7.284 0.425 3.164 1.00 0.00 C ATOM 198 CD2 LEU A 12 5.801 2.345 3.762 1.00 0.00 C ATOM 0 H LEU A 12 3.411 2.192 2.659 1.00 0.00 H new ATOM 0 HA LEU A 12 5.734 1.264 1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.849 0.311 3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.994 -0.821 2.657 1.00 0.00 H new ATOM 0 HG LEU A 12 5.809 0.422 4.730 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.068 0.840 3.797 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.370 -0.661 3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.391 0.815 2.152 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.590 2.753 4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.901 2.745 2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.830 2.626 4.169 1.00 0.00 H new ATOM 210 N VAL A 13 4.296 0.412 -0.821 1.00 0.00 N ATOM 211 CA VAL A 13 3.680 -0.418 -1.895 1.00 0.00 C ATOM 212 C VAL A 13 4.698 -1.434 -2.389 1.00 0.00 C ATOM 213 O VAL A 13 5.890 -1.217 -2.322 1.00 0.00 O ATOM 214 CB VAL A 13 3.266 0.562 -3.010 1.00 0.00 C ATOM 215 CG1 VAL A 13 2.049 0.015 -3.760 1.00 0.00 C ATOM 216 CG2 VAL A 13 2.895 1.925 -2.409 1.00 0.00 C ATOM 0 H VAL A 13 4.857 1.200 -1.145 1.00 0.00 H new ATOM 0 HA VAL A 13 2.812 -0.977 -1.546 1.00 0.00 H new ATOM 0 HB VAL A 13 4.107 0.677 -3.694 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.762 0.713 -4.546 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.298 -0.949 -4.204 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.219 -0.109 -3.065 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.605 2.608 -3.207 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.063 1.803 -1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.754 2.334 -1.877 1.00 0.00 H new ATOM 226 N VAL A 14 4.246 -2.563 -2.848 1.00 0.00 N ATOM 227 CA VAL A 14 5.208 -3.594 -3.292 1.00 0.00 C ATOM 228 C VAL A 14 4.538 -4.616 -4.223 1.00 0.00 C ATOM 229 O VAL A 14 3.426 -5.063 -4.003 1.00 0.00 O ATOM 230 CB VAL A 14 5.660 -4.212 -1.961 1.00 0.00 C ATOM 231 CG1 VAL A 14 5.792 -5.735 -2.056 1.00 0.00 C ATOM 232 CG2 VAL A 14 7.002 -3.602 -1.542 1.00 0.00 C ATOM 0 H VAL A 14 3.261 -2.812 -2.933 1.00 0.00 H new ATOM 0 HA VAL A 14 6.039 -3.206 -3.881 1.00 0.00 H new ATOM 0 HB VAL A 14 4.898 -3.991 -1.213 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.114 -6.133 -1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.828 -6.168 -2.324 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.528 -5.990 -2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.322 -4.041 -0.597 1.00 0.00 H new ATOM 0 HG22 VAL A 14 7.750 -3.806 -2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.890 -2.524 -1.422 1.00 0.00 H new ATOM 242 N GLU A 15 5.236 -4.987 -5.258 1.00 0.00 N ATOM 243 CA GLU A 15 4.710 -5.981 -6.231 1.00 0.00 C ATOM 244 C GLU A 15 5.877 -6.534 -7.055 1.00 0.00 C ATOM 245 O GLU A 15 6.833 -5.838 -7.330 1.00 0.00 O ATOM 246 CB GLU A 15 3.739 -5.196 -7.109 1.00 0.00 C ATOM 247 CG GLU A 15 3.378 -6.021 -8.347 1.00 0.00 C ATOM 248 CD GLU A 15 2.795 -5.100 -9.420 1.00 0.00 C ATOM 249 OE1 GLU A 15 3.135 -3.928 -9.416 1.00 0.00 O ATOM 250 OE2 GLU A 15 2.020 -5.583 -10.229 1.00 0.00 O ATOM 0 H GLU A 15 6.169 -4.635 -5.474 1.00 0.00 H new ATOM 0 HA GLU A 15 4.215 -6.829 -5.758 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.838 -4.955 -6.545 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.189 -4.250 -7.410 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.263 -6.529 -8.730 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.656 -6.794 -8.084 1.00 0.00 H new ATOM 257 N ASP A 16 5.818 -7.783 -7.427 1.00 0.00 N ATOM 258 CA ASP A 16 6.935 -8.389 -8.211 1.00 0.00 C ATOM 259 C ASP A 16 7.092 -7.711 -9.575 1.00 0.00 C ATOM 260 O ASP A 16 7.041 -8.367 -10.597 1.00 0.00 O ATOM 261 CB ASP A 16 6.526 -9.850 -8.408 1.00 0.00 C ATOM 262 CG ASP A 16 6.565 -10.590 -7.072 1.00 0.00 C ATOM 263 OD1 ASP A 16 6.065 -10.049 -6.099 1.00 0.00 O ATOM 264 OD2 ASP A 16 7.090 -11.690 -7.049 1.00 0.00 O ATOM 0 H ASP A 16 5.043 -8.413 -7.222 1.00 0.00 H new ATOM 0 HA ASP A 16 7.888 -8.278 -7.695 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.523 -9.901 -8.832 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.198 -10.331 -9.119 1.00 0.00 H new ATOM 269 N GLU A 17 7.290 -6.418 -9.618 1.00 0.00 N ATOM 270 CA GLU A 17 7.447 -5.759 -10.949 1.00 0.00 C ATOM 271 C GLU A 17 7.664 -4.249 -10.824 1.00 0.00 C ATOM 272 O GLU A 17 7.661 -3.689 -9.745 1.00 0.00 O ATOM 273 CB GLU A 17 6.129 -6.037 -11.670 1.00 0.00 C ATOM 274 CG GLU A 17 6.375 -6.158 -13.179 1.00 0.00 C ATOM 275 CD GLU A 17 5.121 -6.705 -13.867 1.00 0.00 C ATOM 276 OE1 GLU A 17 4.266 -5.908 -14.217 1.00 0.00 O ATOM 277 OE2 GLU A 17 5.038 -7.911 -14.032 1.00 0.00 O ATOM 0 H GLU A 17 7.349 -5.801 -8.808 1.00 0.00 H new ATOM 0 HA GLU A 17 8.319 -6.143 -11.478 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.684 -6.957 -11.290 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.419 -5.234 -11.472 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.633 -5.184 -13.594 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.221 -6.819 -13.367 1.00 0.00 H new ATOM 284 N SER A 18 7.842 -3.590 -11.942 1.00 0.00 N ATOM 285 CA SER A 18 8.048 -2.116 -11.931 1.00 0.00 C ATOM 286 C SER A 18 6.695 -1.406 -11.979 1.00 0.00 C ATOM 287 O SER A 18 6.592 -0.226 -11.713 1.00 0.00 O ATOM 288 CB SER A 18 8.851 -1.816 -13.196 1.00 0.00 C ATOM 289 OG SER A 18 8.935 -0.409 -13.375 1.00 0.00 O ATOM 0 H SER A 18 7.853 -4.018 -12.868 1.00 0.00 H new ATOM 0 HA SER A 18 8.564 -1.775 -11.033 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.850 -2.245 -13.117 1.00 0.00 H new ATOM 0 HB3 SER A 18 8.374 -2.277 -14.061 1.00 0.00 H new ATOM 0 HG SER A 18 9.451 -0.212 -14.185 1.00 0.00 H new ATOM 295 N MET A 19 5.649 -2.121 -12.305 1.00 0.00 N ATOM 296 CA MET A 19 4.303 -1.482 -12.352 1.00 0.00 C ATOM 297 C MET A 19 4.064 -0.732 -11.043 1.00 0.00 C ATOM 298 O MET A 19 3.252 0.167 -10.965 1.00 0.00 O ATOM 299 CB MET A 19 3.313 -2.638 -12.496 1.00 0.00 C ATOM 300 CG MET A 19 2.535 -2.487 -13.805 1.00 0.00 C ATOM 301 SD MET A 19 1.892 -4.103 -14.311 1.00 0.00 S ATOM 302 CE MET A 19 0.150 -3.771 -13.950 1.00 0.00 C ATOM 0 H MET A 19 5.669 -3.114 -12.539 1.00 0.00 H new ATOM 0 HA MET A 19 4.201 -0.768 -13.169 1.00 0.00 H new ATOM 0 HB2 MET A 19 3.845 -3.589 -12.485 1.00 0.00 H new ATOM 0 HB3 MET A 19 2.625 -2.648 -11.651 1.00 0.00 H new ATOM 0 HG2 MET A 19 1.715 -1.781 -13.674 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.183 -2.082 -14.582 1.00 0.00 H new ATOM 0 HE1 MET A 19 -0.446 -4.651 -14.192 1.00 0.00 H new ATOM 0 HE2 MET A 19 0.036 -3.535 -12.892 1.00 0.00 H new ATOM 0 HE3 MET A 19 -0.191 -2.926 -14.549 1.00 0.00 H new ATOM 312 N ILE A 20 4.778 -1.107 -10.017 1.00 0.00 N ATOM 313 CA ILE A 20 4.626 -0.437 -8.694 1.00 0.00 C ATOM 314 C ILE A 20 5.688 0.657 -8.537 1.00 0.00 C ATOM 315 O ILE A 20 5.636 1.457 -7.625 1.00 0.00 O ATOM 316 CB ILE A 20 4.848 -1.552 -7.670 1.00 0.00 C ATOM 317 CG1 ILE A 20 4.569 -1.027 -6.261 1.00 0.00 C ATOM 318 CG2 ILE A 20 6.298 -2.030 -7.742 1.00 0.00 C ATOM 319 CD1 ILE A 20 3.399 -1.803 -5.643 1.00 0.00 C ATOM 0 H ILE A 20 5.468 -1.858 -10.039 1.00 0.00 H new ATOM 0 HA ILE A 20 3.655 0.043 -8.574 1.00 0.00 H new ATOM 0 HB ILE A 20 4.172 -2.378 -7.893 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.458 -1.135 -5.640 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.333 0.037 -6.299 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.456 -2.824 -7.012 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.507 -2.409 -8.742 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.967 -1.198 -7.523 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.203 -1.427 -4.639 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.510 -1.673 -6.260 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.652 -2.862 -5.590 1.00 0.00 H new ATOM 331 N ALA A 21 6.652 0.697 -9.420 1.00 0.00 N ATOM 332 CA ALA A 21 7.718 1.739 -9.320 1.00 0.00 C ATOM 333 C ALA A 21 7.271 3.019 -10.029 1.00 0.00 C ATOM 334 O ALA A 21 6.751 3.928 -9.417 1.00 0.00 O ATOM 335 CB ALA A 21 8.936 1.136 -10.021 1.00 0.00 C ATOM 0 H ALA A 21 6.747 0.054 -10.206 1.00 0.00 H new ATOM 0 HA ALA A 21 7.937 2.006 -8.286 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.763 1.845 -9.988 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.228 0.215 -9.516 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.687 0.917 -11.059 1.00 0.00 H new ATOM 341 N MET A 22 7.455 3.098 -11.318 1.00 0.00 N ATOM 342 CA MET A 22 7.023 4.322 -12.049 1.00 0.00 C ATOM 343 C MET A 22 5.631 4.742 -11.566 1.00 0.00 C ATOM 344 O MET A 22 5.249 5.891 -11.661 1.00 0.00 O ATOM 345 CB MET A 22 6.986 3.912 -13.521 1.00 0.00 C ATOM 346 CG MET A 22 7.867 4.863 -14.334 1.00 0.00 C ATOM 347 SD MET A 22 8.299 4.088 -15.913 1.00 0.00 S ATOM 348 CE MET A 22 9.966 4.778 -16.049 1.00 0.00 C ATOM 0 H MET A 22 7.883 2.373 -11.894 1.00 0.00 H new ATOM 0 HA MET A 22 7.690 5.169 -11.886 1.00 0.00 H new ATOM 0 HB2 MET A 22 7.338 2.887 -13.634 1.00 0.00 H new ATOM 0 HB3 MET A 22 5.962 3.940 -13.892 1.00 0.00 H new ATOM 0 HG2 MET A 22 7.341 5.802 -14.510 1.00 0.00 H new ATOM 0 HG3 MET A 22 8.772 5.104 -13.776 1.00 0.00 H new ATOM 0 HE1 MET A 22 10.432 4.426 -16.969 1.00 0.00 H new ATOM 0 HE2 MET A 22 9.909 5.866 -16.065 1.00 0.00 H new ATOM 0 HE3 MET A 22 10.563 4.458 -15.195 1.00 0.00 H new ATOM 358 N LEU A 23 4.871 3.811 -11.053 1.00 0.00 N ATOM 359 CA LEU A 23 3.501 4.137 -10.565 1.00 0.00 C ATOM 360 C LEU A 23 3.550 4.735 -9.150 1.00 0.00 C ATOM 361 O LEU A 23 2.608 5.353 -8.701 1.00 0.00 O ATOM 362 CB LEU A 23 2.775 2.786 -10.557 1.00 0.00 C ATOM 363 CG LEU A 23 1.460 2.871 -9.767 1.00 0.00 C ATOM 364 CD1 LEU A 23 1.753 2.820 -8.265 1.00 0.00 C ATOM 365 CD2 LEU A 23 0.726 4.174 -10.102 1.00 0.00 C ATOM 0 H LEU A 23 5.143 2.833 -10.951 1.00 0.00 H new ATOM 0 HA LEU A 23 3.002 4.878 -11.189 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.569 2.474 -11.581 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.420 2.026 -10.116 1.00 0.00 H new ATOM 0 HG LEU A 23 0.829 2.026 -10.042 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.817 2.881 -7.709 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.258 1.884 -8.024 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.393 3.659 -7.990 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.204 4.223 -9.536 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.356 5.024 -9.840 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.504 4.203 -11.169 1.00 0.00 H new ATOM 377 N ILE A 24 4.630 4.557 -8.439 1.00 0.00 N ATOM 378 CA ILE A 24 4.700 5.120 -7.055 1.00 0.00 C ATOM 379 C ILE A 24 5.472 6.442 -7.043 1.00 0.00 C ATOM 380 O ILE A 24 5.138 7.355 -6.313 1.00 0.00 O ATOM 381 CB ILE A 24 5.407 4.053 -6.210 1.00 0.00 C ATOM 382 CG1 ILE A 24 5.164 4.337 -4.728 1.00 0.00 C ATOM 383 CG2 ILE A 24 6.915 4.061 -6.475 1.00 0.00 C ATOM 384 CD1 ILE A 24 5.318 3.030 -3.940 1.00 0.00 C ATOM 0 H ILE A 24 5.460 4.052 -8.750 1.00 0.00 H new ATOM 0 HA ILE A 24 3.709 5.345 -6.660 1.00 0.00 H new ATOM 0 HB ILE A 24 5.005 3.077 -6.480 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.873 5.081 -4.366 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.166 4.750 -4.582 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.396 3.296 -5.865 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.100 3.854 -7.529 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.324 5.039 -6.220 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.147 3.221 -2.881 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.592 2.301 -4.299 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.325 2.638 -4.079 1.00 0.00 H new ATOM 396 N GLU A 25 6.495 6.559 -7.844 1.00 0.00 N ATOM 397 CA GLU A 25 7.272 7.830 -7.867 1.00 0.00 C ATOM 398 C GLU A 25 6.482 8.903 -8.621 1.00 0.00 C ATOM 399 O GLU A 25 6.695 10.087 -8.447 1.00 0.00 O ATOM 400 CB GLU A 25 8.573 7.488 -8.593 1.00 0.00 C ATOM 401 CG GLU A 25 9.505 6.740 -7.635 1.00 0.00 C ATOM 402 CD GLU A 25 10.797 7.540 -7.447 1.00 0.00 C ATOM 403 OE1 GLU A 25 10.779 8.483 -6.673 1.00 0.00 O ATOM 404 OE2 GLU A 25 11.782 7.196 -8.080 1.00 0.00 O ATOM 0 H GLU A 25 6.825 5.834 -8.480 1.00 0.00 H new ATOM 0 HA GLU A 25 7.467 8.224 -6.870 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.364 6.874 -9.469 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.054 8.399 -8.950 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.013 6.593 -6.673 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.732 5.750 -8.031 1.00 0.00 H new ATOM 411 N ASP A 26 5.557 8.496 -9.444 1.00 0.00 N ATOM 412 CA ASP A 26 4.737 9.487 -10.194 1.00 0.00 C ATOM 413 C ASP A 26 3.543 9.910 -9.333 1.00 0.00 C ATOM 414 O ASP A 26 3.179 11.067 -9.278 1.00 0.00 O ATOM 415 CB ASP A 26 4.277 8.745 -11.455 1.00 0.00 C ATOM 416 CG ASP A 26 3.058 7.875 -11.140 1.00 0.00 C ATOM 417 OD1 ASP A 26 3.251 6.792 -10.618 1.00 0.00 O ATOM 418 OD2 ASP A 26 1.954 8.307 -11.427 1.00 0.00 O ATOM 0 H ASP A 26 5.333 7.518 -9.630 1.00 0.00 H new ATOM 0 HA ASP A 26 5.286 10.394 -10.447 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.029 9.462 -12.238 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.087 8.124 -11.837 1.00 0.00 H new ATOM 423 N THR A 27 2.941 8.973 -8.650 1.00 0.00 N ATOM 424 CA THR A 27 1.783 9.312 -7.780 1.00 0.00 C ATOM 425 C THR A 27 2.208 10.370 -6.763 1.00 0.00 C ATOM 426 O THR A 27 1.553 11.378 -6.586 1.00 0.00 O ATOM 427 CB THR A 27 1.421 7.999 -7.083 1.00 0.00 C ATOM 428 OG1 THR A 27 2.588 7.198 -6.957 1.00 0.00 O ATOM 429 CG2 THR A 27 0.375 7.252 -7.912 1.00 0.00 C ATOM 0 H THR A 27 3.203 7.987 -8.659 1.00 0.00 H new ATOM 0 HA THR A 27 0.937 9.718 -8.334 1.00 0.00 H new ATOM 0 HB THR A 27 1.014 8.210 -6.094 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.591 6.512 -7.657 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.117 6.317 -7.415 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.519 7.868 -8.011 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.780 7.038 -8.901 1.00 0.00 H new ATOM 437 N LEU A 28 3.315 10.154 -6.106 1.00 0.00 N ATOM 438 CA LEU A 28 3.801 11.152 -5.114 1.00 0.00 C ATOM 439 C LEU A 28 4.079 12.468 -5.842 1.00 0.00 C ATOM 440 O LEU A 28 3.751 13.536 -5.362 1.00 0.00 O ATOM 441 CB LEU A 28 5.076 10.512 -4.519 1.00 0.00 C ATOM 442 CG LEU A 28 6.210 11.538 -4.303 1.00 0.00 C ATOM 443 CD1 LEU A 28 6.836 11.922 -5.641 1.00 0.00 C ATOM 444 CD2 LEU A 28 5.679 12.799 -3.613 1.00 0.00 C ATOM 0 H LEU A 28 3.904 9.328 -6.214 1.00 0.00 H new ATOM 0 HA LEU A 28 3.090 11.386 -4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.831 10.041 -3.567 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.427 9.723 -5.184 1.00 0.00 H new ATOM 0 HG LEU A 28 6.965 11.077 -3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.634 12.646 -5.475 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.246 11.033 -6.119 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.075 12.362 -6.286 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.495 13.507 -3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.907 13.255 -4.232 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.257 12.533 -2.644 1.00 0.00 H new ATOM 456 N CYS A 29 4.662 12.398 -7.006 1.00 0.00 N ATOM 457 CA CYS A 29 4.946 13.644 -7.766 1.00 0.00 C ATOM 458 C CYS A 29 3.655 14.437 -7.952 1.00 0.00 C ATOM 459 O CYS A 29 3.656 15.651 -8.005 1.00 0.00 O ATOM 460 CB CYS A 29 5.487 13.171 -9.115 1.00 0.00 C ATOM 461 SG CYS A 29 5.969 14.607 -10.103 1.00 0.00 S ATOM 0 H CYS A 29 4.953 11.533 -7.462 1.00 0.00 H new ATOM 0 HA CYS A 29 5.654 14.295 -7.254 1.00 0.00 H new ATOM 0 HB2 CYS A 29 6.344 12.514 -8.966 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.728 12.591 -9.641 1.00 0.00 H new ATOM 0 HG CYS A 29 5.297 15.649 -9.711 1.00 0.00 H new ATOM 467 N GLU A 30 2.552 13.752 -8.055 1.00 0.00 N ATOM 468 CA GLU A 30 1.255 14.445 -8.242 1.00 0.00 C ATOM 469 C GLU A 30 0.524 14.605 -6.905 1.00 0.00 C ATOM 470 O GLU A 30 -0.332 15.455 -6.755 1.00 0.00 O ATOM 471 CB GLU A 30 0.462 13.532 -9.176 1.00 0.00 C ATOM 472 CG GLU A 30 0.984 13.684 -10.605 1.00 0.00 C ATOM 473 CD GLU A 30 0.020 12.993 -11.570 1.00 0.00 C ATOM 474 OE1 GLU A 30 -1.167 13.260 -11.481 1.00 0.00 O ATOM 475 OE2 GLU A 30 0.485 12.209 -12.380 1.00 0.00 O ATOM 0 H GLU A 30 2.496 12.734 -8.017 1.00 0.00 H new ATOM 0 HA GLU A 30 1.382 15.449 -8.647 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.554 12.495 -8.853 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.597 13.785 -9.136 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.078 14.740 -10.860 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.978 13.246 -10.690 1.00 0.00 H new ATOM 482 N LEU A 31 0.835 13.782 -5.940 1.00 0.00 N ATOM 483 CA LEU A 31 0.130 13.880 -4.626 1.00 0.00 C ATOM 484 C LEU A 31 0.985 14.615 -3.588 1.00 0.00 C ATOM 485 O LEU A 31 0.568 15.609 -3.028 1.00 0.00 O ATOM 486 CB LEU A 31 -0.104 12.429 -4.205 1.00 0.00 C ATOM 487 CG LEU A 31 -1.196 11.817 -5.085 1.00 0.00 C ATOM 488 CD1 LEU A 31 -0.800 10.393 -5.476 1.00 0.00 C ATOM 489 CD2 LEU A 31 -2.517 11.784 -4.313 1.00 0.00 C ATOM 0 H LEU A 31 1.542 13.050 -6.002 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.798 14.446 -4.704 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.819 11.857 -4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.399 12.385 -3.157 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.316 12.421 -5.985 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.578 9.958 -6.103 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.140 10.415 -6.028 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.679 9.789 -4.577 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.294 11.348 -4.940 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.397 11.182 -3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.802 12.799 -4.035 1.00 0.00 H new ATOM 501 N GLY A 32 2.173 14.144 -3.322 1.00 0.00 N ATOM 502 CA GLY A 32 3.032 14.836 -2.317 1.00 0.00 C ATOM 503 C GLY A 32 3.626 13.817 -1.339 1.00 0.00 C ATOM 504 O GLY A 32 4.412 14.163 -0.480 1.00 0.00 O ATOM 0 H GLY A 32 2.584 13.316 -3.753 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.833 15.376 -2.822 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.444 15.574 -1.772 1.00 0.00 H new ATOM 508 N HIS A 33 3.259 12.568 -1.458 1.00 0.00 N ATOM 509 CA HIS A 33 3.810 11.533 -0.533 1.00 0.00 C ATOM 510 C HIS A 33 5.340 11.572 -0.546 1.00 0.00 C ATOM 511 O HIS A 33 5.943 12.530 -0.980 1.00 0.00 O ATOM 512 CB HIS A 33 3.310 10.198 -1.090 1.00 0.00 C ATOM 513 CG HIS A 33 1.854 10.032 -0.760 1.00 0.00 C ATOM 514 ND1 HIS A 33 0.852 10.648 -1.494 1.00 0.00 N ATOM 515 CD2 HIS A 33 1.215 9.322 0.223 1.00 0.00 C ATOM 516 CE1 HIS A 33 -0.325 10.299 -0.944 1.00 0.00 C ATOM 517 NE2 HIS A 33 -0.161 9.492 0.107 1.00 0.00 N ATOM 0 H HIS A 33 2.602 12.220 -2.156 1.00 0.00 H new ATOM 0 HA HIS A 33 3.494 11.693 0.498 1.00 0.00 H new ATOM 0 HB2 HIS A 33 3.455 10.165 -2.170 1.00 0.00 H new ATOM 0 HB3 HIS A 33 3.886 9.376 -0.666 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.706 8.721 0.974 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -1.286 10.631 -1.308 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.888 9.087 0.697 1.00 0.00 H new ATOM 525 N GLU A 34 5.976 10.541 -0.070 1.00 0.00 N ATOM 526 CA GLU A 34 7.464 10.537 -0.061 1.00 0.00 C ATOM 527 C GLU A 34 7.993 9.272 -0.753 1.00 0.00 C ATOM 528 O GLU A 34 7.623 8.970 -1.871 1.00 0.00 O ATOM 529 CB GLU A 34 7.830 10.562 1.427 1.00 0.00 C ATOM 530 CG GLU A 34 9.274 11.054 1.628 1.00 0.00 C ATOM 531 CD GLU A 34 9.579 12.215 0.677 1.00 0.00 C ATOM 532 OE1 GLU A 34 8.813 13.163 0.667 1.00 0.00 O ATOM 533 OE2 GLU A 34 10.571 12.131 -0.028 1.00 0.00 O ATOM 0 H GLU A 34 5.534 9.705 0.311 1.00 0.00 H new ATOM 0 HA GLU A 34 7.900 11.379 -0.599 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.141 11.214 1.964 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.719 9.563 1.850 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.416 11.374 2.660 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.972 10.236 1.449 1.00 0.00 H new ATOM 540 N VAL A 35 8.844 8.529 -0.102 1.00 0.00 N ATOM 541 CA VAL A 35 9.383 7.289 -0.723 1.00 0.00 C ATOM 542 C VAL A 35 9.128 6.111 0.218 1.00 0.00 C ATOM 543 O VAL A 35 9.770 5.969 1.239 1.00 0.00 O ATOM 544 CB VAL A 35 10.884 7.539 -0.892 1.00 0.00 C ATOM 545 CG1 VAL A 35 11.120 8.440 -2.107 1.00 0.00 C ATOM 546 CG2 VAL A 35 11.437 8.223 0.361 1.00 0.00 C ATOM 0 H VAL A 35 9.190 8.729 0.837 1.00 0.00 H new ATOM 0 HA VAL A 35 8.915 7.054 -1.679 1.00 0.00 H new ATOM 0 HB VAL A 35 11.392 6.586 -1.040 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.189 8.617 -2.226 1.00 0.00 H new ATOM 0 HG12 VAL A 35 10.731 7.954 -3.002 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.609 9.391 -1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.506 8.400 0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.927 9.175 0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.273 7.583 1.228 1.00 0.00 H new ATOM 556 N ALA A 36 8.174 5.283 -0.103 1.00 0.00 N ATOM 557 CA ALA A 36 7.857 4.138 0.787 1.00 0.00 C ATOM 558 C ALA A 36 8.395 2.821 0.216 1.00 0.00 C ATOM 559 O ALA A 36 9.568 2.525 0.326 1.00 0.00 O ATOM 560 CB ALA A 36 6.334 4.114 0.859 1.00 0.00 C ATOM 0 H ALA A 36 7.601 5.352 -0.944 1.00 0.00 H new ATOM 0 HA ALA A 36 8.318 4.248 1.769 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.013 3.293 1.500 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.974 5.057 1.270 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.925 3.974 -0.141 1.00 0.00 H new ATOM 566 N ALA A 37 7.551 2.021 -0.387 1.00 0.00 N ATOM 567 CA ALA A 37 8.033 0.730 -0.946 1.00 0.00 C ATOM 568 C ALA A 37 7.669 0.631 -2.425 1.00 0.00 C ATOM 569 O ALA A 37 6.611 1.051 -2.851 1.00 0.00 O ATOM 570 CB ALA A 37 7.315 -0.349 -0.137 1.00 0.00 C ATOM 0 H ALA A 37 6.556 2.208 -0.514 1.00 0.00 H new ATOM 0 HA ALA A 37 9.116 0.628 -0.879 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.620 -1.333 -0.492 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.575 -0.247 0.917 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.237 -0.238 -0.258 1.00 0.00 H new ATOM 576 N THR A 38 8.546 0.074 -3.207 1.00 0.00 N ATOM 577 CA THR A 38 8.280 -0.067 -4.666 1.00 0.00 C ATOM 578 C THR A 38 8.859 -1.391 -5.162 1.00 0.00 C ATOM 579 O THR A 38 10.055 -1.595 -5.118 1.00 0.00 O ATOM 580 CB THR A 38 9.001 1.115 -5.317 1.00 0.00 C ATOM 581 OG1 THR A 38 8.958 0.973 -6.732 1.00 0.00 O ATOM 582 CG2 THR A 38 10.458 1.154 -4.845 1.00 0.00 C ATOM 0 H THR A 38 9.445 -0.294 -2.897 1.00 0.00 H new ATOM 0 HA THR A 38 7.216 -0.068 -4.903 1.00 0.00 H new ATOM 0 HB THR A 38 8.508 2.044 -5.031 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.608 1.582 -7.142 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.969 1.997 -5.310 1.00 0.00 H new ATOM 0 HG22 THR A 38 10.486 1.266 -3.761 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.957 0.227 -5.127 1.00 0.00 H new ATOM 590 N ALA A 39 8.002 -2.300 -5.585 1.00 0.00 N ATOM 591 CA ALA A 39 8.438 -3.661 -6.057 1.00 0.00 C ATOM 592 C ALA A 39 8.316 -4.606 -4.878 1.00 0.00 C ATOM 593 O ALA A 39 8.117 -4.174 -3.765 1.00 0.00 O ATOM 594 CB ALA A 39 9.888 -3.556 -6.518 1.00 0.00 C ATOM 0 H ALA A 39 6.994 -2.150 -5.623 1.00 0.00 H new ATOM 0 HA ALA A 39 7.830 -4.027 -6.884 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.231 -4.530 -6.866 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.960 -2.834 -7.332 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.511 -3.228 -5.686 1.00 0.00 H new ATOM 600 N SER A 40 8.380 -5.879 -5.088 1.00 0.00 N ATOM 601 CA SER A 40 8.211 -6.784 -3.924 1.00 0.00 C ATOM 602 C SER A 40 9.548 -7.285 -3.379 1.00 0.00 C ATOM 603 O SER A 40 10.363 -7.846 -4.083 1.00 0.00 O ATOM 604 CB SER A 40 7.333 -7.920 -4.430 1.00 0.00 C ATOM 605 OG SER A 40 8.127 -8.844 -5.161 1.00 0.00 O ATOM 0 H SER A 40 8.538 -6.329 -5.990 1.00 0.00 H new ATOM 0 HA SER A 40 7.753 -6.268 -3.080 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.851 -8.422 -3.591 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.539 -7.525 -5.064 1.00 0.00 H new ATOM 0 HG SER A 40 9.073 -8.701 -4.950 1.00 0.00 H new ATOM 611 N ARG A 41 9.754 -7.074 -2.104 1.00 0.00 N ATOM 612 CA ARG A 41 11.005 -7.511 -1.436 1.00 0.00 C ATOM 613 C ARG A 41 10.679 -8.010 -0.024 1.00 0.00 C ATOM 614 O ARG A 41 10.162 -7.280 0.798 1.00 0.00 O ATOM 615 CB ARG A 41 11.878 -6.257 -1.375 1.00 0.00 C ATOM 616 CG ARG A 41 13.322 -6.653 -1.070 1.00 0.00 C ATOM 617 CD ARG A 41 13.820 -7.628 -2.136 1.00 0.00 C ATOM 618 NE ARG A 41 15.282 -7.751 -1.886 1.00 0.00 N ATOM 619 CZ ARG A 41 15.804 -8.917 -1.614 1.00 0.00 C ATOM 620 NH1 ARG A 41 15.232 -9.701 -0.741 1.00 0.00 N ATOM 621 NH2 ARG A 41 16.900 -9.297 -2.214 1.00 0.00 N ATOM 0 H ARG A 41 9.089 -6.606 -1.489 1.00 0.00 H new ATOM 0 HA ARG A 41 11.505 -8.324 -1.963 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.830 -5.721 -2.323 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.506 -5.579 -0.607 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.956 -5.767 -1.048 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.383 -7.113 -0.084 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.322 -8.594 -2.052 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.621 -7.252 -3.140 1.00 0.00 H new ATOM 0 HE ARG A 41 15.877 -6.924 -1.927 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.377 -9.403 -0.271 1.00 0.00 H new ATOM 0 HH12 ARG A 41 15.640 -10.611 -0.529 1.00 0.00 H new ATOM 0 HH21 ARG A 41 17.348 -8.683 -2.895 1.00 0.00 H new ATOM 0 HH22 ARG A 41 17.308 -10.207 -2.002 1.00 0.00 H new ATOM 635 N MET A 42 10.963 -9.251 0.259 1.00 0.00 N ATOM 636 CA MET A 42 10.656 -9.803 1.611 1.00 0.00 C ATOM 637 C MET A 42 11.298 -8.953 2.715 1.00 0.00 C ATOM 638 O MET A 42 10.718 -8.745 3.762 1.00 0.00 O ATOM 639 CB MET A 42 11.247 -11.210 1.596 1.00 0.00 C ATOM 640 CG MET A 42 10.436 -12.087 0.637 1.00 0.00 C ATOM 641 SD MET A 42 10.203 -13.730 1.366 1.00 0.00 S ATOM 642 CE MET A 42 11.693 -14.499 0.685 1.00 0.00 C ATOM 0 H MET A 42 11.396 -9.909 -0.389 1.00 0.00 H new ATOM 0 HA MET A 42 9.586 -9.805 1.819 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.290 -11.176 1.282 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.230 -11.635 2.599 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.469 -11.626 0.437 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.953 -12.172 -0.319 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.750 -15.536 1.015 1.00 0.00 H new ATOM 0 HE2 MET A 42 11.654 -14.466 -0.404 1.00 0.00 H new ATOM 0 HE3 MET A 42 12.573 -13.959 1.033 1.00 0.00 H new ATOM 652 N GLN A 43 12.488 -8.462 2.497 1.00 0.00 N ATOM 653 CA GLN A 43 13.147 -7.631 3.548 1.00 0.00 C ATOM 654 C GLN A 43 12.255 -6.442 3.911 1.00 0.00 C ATOM 655 O GLN A 43 11.835 -6.292 5.041 1.00 0.00 O ATOM 656 CB GLN A 43 14.458 -7.148 2.922 1.00 0.00 C ATOM 657 CG GLN A 43 15.609 -7.399 3.898 1.00 0.00 C ATOM 658 CD GLN A 43 16.674 -8.264 3.222 1.00 0.00 C ATOM 659 OE1 GLN A 43 17.123 -9.242 3.784 1.00 0.00 O ATOM 660 NE2 GLN A 43 17.099 -7.945 2.030 1.00 0.00 N ATOM 0 H GLN A 43 13.030 -8.598 1.644 1.00 0.00 H new ATOM 0 HA GLN A 43 13.323 -8.193 4.465 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.641 -7.672 1.984 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.392 -6.086 2.686 1.00 0.00 H new ATOM 0 HG2 GLN A 43 16.043 -6.451 4.216 1.00 0.00 H new ATOM 0 HG3 GLN A 43 15.238 -7.896 4.794 1.00 0.00 H new ATOM 0 HE21 GLN A 43 16.722 -7.123 1.557 1.00 0.00 H new ATOM 0 HE22 GLN A 43 17.808 -8.517 1.571 1.00 0.00 H new ATOM 669 N GLU A 44 11.957 -5.596 2.960 1.00 0.00 N ATOM 670 CA GLU A 44 11.088 -4.423 3.253 1.00 0.00 C ATOM 671 C GLU A 44 9.744 -4.898 3.808 1.00 0.00 C ATOM 672 O GLU A 44 9.241 -4.366 4.777 1.00 0.00 O ATOM 673 CB GLU A 44 10.898 -3.718 1.913 1.00 0.00 C ATOM 674 CG GLU A 44 11.876 -2.545 1.812 1.00 0.00 C ATOM 675 CD GLU A 44 11.211 -1.276 2.352 1.00 0.00 C ATOM 676 OE1 GLU A 44 10.509 -0.629 1.593 1.00 0.00 O ATOM 677 OE2 GLU A 44 11.415 -0.973 3.517 1.00 0.00 O ATOM 0 H GLU A 44 12.278 -5.668 1.995 1.00 0.00 H new ATOM 0 HA GLU A 44 11.526 -3.758 3.997 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.067 -4.418 1.094 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.873 -3.360 1.820 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.781 -2.763 2.379 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.177 -2.397 0.775 1.00 0.00 H new ATOM 684 N ALA A 45 9.163 -5.902 3.209 1.00 0.00 N ATOM 685 CA ALA A 45 7.857 -6.411 3.720 1.00 0.00 C ATOM 686 C ALA A 45 7.955 -6.618 5.231 1.00 0.00 C ATOM 687 O ALA A 45 7.061 -6.271 5.977 1.00 0.00 O ATOM 688 CB ALA A 45 7.641 -7.744 3.003 1.00 0.00 C ATOM 0 H ALA A 45 9.533 -6.390 2.393 1.00 0.00 H new ATOM 0 HA ALA A 45 7.032 -5.723 3.537 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.697 -8.183 3.327 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.613 -7.578 1.926 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.458 -8.423 3.244 1.00 0.00 H new ATOM 694 N LEU A 46 9.048 -7.169 5.687 1.00 0.00 N ATOM 695 CA LEU A 46 9.227 -7.388 7.148 1.00 0.00 C ATOM 696 C LEU A 46 9.214 -6.039 7.873 1.00 0.00 C ATOM 697 O LEU A 46 8.567 -5.871 8.889 1.00 0.00 O ATOM 698 CB LEU A 46 10.597 -8.055 7.270 1.00 0.00 C ATOM 699 CG LEU A 46 10.819 -8.514 8.708 1.00 0.00 C ATOM 700 CD1 LEU A 46 10.178 -9.888 8.910 1.00 0.00 C ATOM 701 CD2 LEU A 46 12.322 -8.601 8.981 1.00 0.00 C ATOM 0 H LEU A 46 9.827 -7.478 5.106 1.00 0.00 H new ATOM 0 HA LEU A 46 8.438 -7.997 7.589 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.659 -8.907 6.593 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.380 -7.356 6.976 1.00 0.00 H new ATOM 0 HG LEU A 46 10.364 -7.802 9.396 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.337 -10.216 9.937 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.108 -9.823 8.711 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.632 -10.605 8.226 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.487 -8.929 10.007 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.776 -9.316 8.295 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.776 -7.621 8.836 1.00 0.00 H new ATOM 713 N ASP A 47 9.920 -5.075 7.346 1.00 0.00 N ATOM 714 CA ASP A 47 9.951 -3.730 7.985 1.00 0.00 C ATOM 715 C ASP A 47 8.527 -3.191 8.138 1.00 0.00 C ATOM 716 O ASP A 47 8.244 -2.398 9.012 1.00 0.00 O ATOM 717 CB ASP A 47 10.745 -2.853 7.016 1.00 0.00 C ATOM 718 CG ASP A 47 12.235 -2.926 7.353 1.00 0.00 C ATOM 719 OD1 ASP A 47 12.596 -3.739 8.187 1.00 0.00 O ATOM 720 OD2 ASP A 47 12.990 -2.166 6.768 1.00 0.00 O ATOM 0 H ASP A 47 10.478 -5.163 6.497 1.00 0.00 H new ATOM 0 HA ASP A 47 10.397 -3.753 8.979 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.578 -3.184 5.991 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.399 -1.821 7.078 1.00 0.00 H new ATOM 725 N ILE A 48 7.629 -3.620 7.293 1.00 0.00 N ATOM 726 CA ILE A 48 6.223 -3.138 7.392 1.00 0.00 C ATOM 727 C ILE A 48 5.363 -4.192 8.106 1.00 0.00 C ATOM 728 O ILE A 48 4.276 -3.909 8.569 1.00 0.00 O ATOM 729 CB ILE A 48 5.726 -2.858 5.938 1.00 0.00 C ATOM 730 CG1 ILE A 48 4.351 -3.510 5.698 1.00 0.00 C ATOM 731 CG2 ILE A 48 6.718 -3.375 4.886 1.00 0.00 C ATOM 732 CD1 ILE A 48 4.515 -4.996 5.359 1.00 0.00 C ATOM 0 H ILE A 48 7.809 -4.283 6.539 1.00 0.00 H new ATOM 0 HA ILE A 48 6.150 -2.223 7.979 1.00 0.00 H new ATOM 0 HB ILE A 48 5.643 -1.776 5.834 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.729 -3.400 6.587 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.837 -2.999 4.884 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.335 -3.161 3.888 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.680 -2.881 5.019 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.844 -4.451 5.003 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.534 -5.442 5.192 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.118 -5.099 4.457 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.009 -5.506 6.186 1.00 0.00 H new ATOM 744 N ALA A 49 5.838 -5.404 8.193 1.00 0.00 N ATOM 745 CA ALA A 49 5.045 -6.466 8.865 1.00 0.00 C ATOM 746 C ALA A 49 5.199 -6.388 10.388 1.00 0.00 C ATOM 747 O ALA A 49 4.234 -6.461 11.123 1.00 0.00 O ATOM 748 CB ALA A 49 5.621 -7.779 8.342 1.00 0.00 C ATOM 0 H ALA A 49 6.742 -5.703 7.827 1.00 0.00 H new ATOM 0 HA ALA A 49 3.980 -6.366 8.656 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.087 -8.616 8.793 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.510 -7.819 7.258 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.678 -7.841 8.601 1.00 0.00 H new ATOM 754 N ARG A 50 6.405 -6.268 10.867 1.00 0.00 N ATOM 755 CA ARG A 50 6.624 -6.218 12.338 1.00 0.00 C ATOM 756 C ARG A 50 6.599 -4.770 12.844 1.00 0.00 C ATOM 757 O ARG A 50 6.628 -4.519 14.033 1.00 0.00 O ATOM 758 CB ARG A 50 8.004 -6.848 12.541 1.00 0.00 C ATOM 759 CG ARG A 50 7.863 -8.364 12.742 1.00 0.00 C ATOM 760 CD ARG A 50 7.067 -8.984 11.584 1.00 0.00 C ATOM 761 NE ARG A 50 5.712 -9.237 12.145 1.00 0.00 N ATOM 762 CZ ARG A 50 5.166 -10.417 12.031 1.00 0.00 C ATOM 763 NH1 ARG A 50 5.900 -11.490 12.144 1.00 0.00 N ATOM 764 NH2 ARG A 50 3.886 -10.518 11.804 1.00 0.00 N ATOM 0 H ARG A 50 7.251 -6.202 10.301 1.00 0.00 H new ATOM 0 HA ARG A 50 5.846 -6.743 12.892 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.637 -6.644 11.677 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.493 -6.402 13.407 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.850 -8.823 12.801 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.360 -8.567 13.688 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.021 -8.309 10.730 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.530 -9.908 11.236 1.00 0.00 H new ATOM 0 HE ARG A 50 5.209 -8.487 12.619 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.901 -11.407 12.322 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.473 -12.412 12.055 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.316 -9.677 11.716 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.455 -11.438 11.714 1.00 0.00 H new ATOM 778 N LYS A 51 6.543 -3.817 11.956 1.00 0.00 N ATOM 779 CA LYS A 51 6.515 -2.395 12.391 1.00 0.00 C ATOM 780 C LYS A 51 5.091 -1.984 12.772 1.00 0.00 C ATOM 781 O LYS A 51 4.849 -1.443 13.833 1.00 0.00 O ATOM 782 CB LYS A 51 6.986 -1.601 11.175 1.00 0.00 C ATOM 783 CG LYS A 51 6.784 -0.106 11.432 1.00 0.00 C ATOM 784 CD LYS A 51 8.129 0.622 11.347 1.00 0.00 C ATOM 785 CE LYS A 51 8.232 1.333 9.994 1.00 0.00 C ATOM 786 NZ LYS A 51 9.156 2.483 10.213 1.00 0.00 N ATOM 0 H LYS A 51 6.515 -3.963 10.947 1.00 0.00 H new ATOM 0 HA LYS A 51 7.143 -2.221 13.265 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.038 -1.808 10.977 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.429 -1.907 10.289 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.090 0.307 10.701 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.339 0.046 12.415 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.217 1.344 12.159 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.948 -0.088 11.462 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.617 0.661 9.227 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.254 1.675 9.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.701 3.361 9.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.379 2.561 11.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.033 2.331 9.676 1.00 0.00 H new ATOM 800 N GLY A 52 4.146 -2.238 11.910 1.00 0.00 N ATOM 801 CA GLY A 52 2.737 -1.866 12.215 1.00 0.00 C ATOM 802 C GLY A 52 2.629 -0.347 12.368 1.00 0.00 C ATOM 803 O GLY A 52 1.647 0.167 12.867 1.00 0.00 O ATOM 0 H GLY A 52 4.289 -2.688 11.006 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.079 -2.209 11.417 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.410 -2.358 13.131 1.00 0.00 H new ATOM 807 N GLN A 53 3.629 0.378 11.944 1.00 0.00 N ATOM 808 CA GLN A 53 3.570 1.862 12.070 1.00 0.00 C ATOM 809 C GLN A 53 3.482 2.513 10.682 1.00 0.00 C ATOM 810 O GLN A 53 2.880 3.555 10.514 1.00 0.00 O ATOM 811 CB GLN A 53 4.862 2.249 12.819 1.00 0.00 C ATOM 812 CG GLN A 53 5.889 2.900 11.879 1.00 0.00 C ATOM 813 CD GLN A 53 7.001 3.544 12.711 1.00 0.00 C ATOM 814 OE1 GLN A 53 7.098 3.310 13.898 1.00 0.00 O ATOM 815 NE2 GLN A 53 7.849 4.353 12.135 1.00 0.00 N ATOM 0 H GLN A 53 4.479 0.009 11.518 1.00 0.00 H new ATOM 0 HA GLN A 53 2.689 2.207 12.611 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.621 2.938 13.628 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.298 1.361 13.276 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.309 2.152 11.207 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.404 3.651 11.256 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.769 4.550 11.138 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.592 4.787 12.683 1.00 0.00 H new ATOM 824 N PHE A 54 4.079 1.910 9.690 1.00 0.00 N ATOM 825 CA PHE A 54 4.026 2.501 8.319 1.00 0.00 C ATOM 826 C PHE A 54 2.616 3.017 8.020 1.00 0.00 C ATOM 827 O PHE A 54 1.636 2.480 8.494 1.00 0.00 O ATOM 828 CB PHE A 54 4.381 1.356 7.370 1.00 0.00 C ATOM 829 CG PHE A 54 3.432 0.206 7.597 1.00 0.00 C ATOM 830 CD1 PHE A 54 3.702 -0.736 8.596 1.00 0.00 C ATOM 831 CD2 PHE A 54 2.280 0.083 6.811 1.00 0.00 C ATOM 832 CE1 PHE A 54 2.821 -1.801 8.811 1.00 0.00 C ATOM 833 CE2 PHE A 54 1.398 -0.981 7.027 1.00 0.00 C ATOM 834 CZ PHE A 54 1.669 -1.924 8.026 1.00 0.00 C ATOM 0 H PHE A 54 4.600 1.036 9.767 1.00 0.00 H new ATOM 0 HA PHE A 54 4.708 3.344 8.213 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.320 1.694 6.336 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.408 1.033 7.540 1.00 0.00 H new ATOM 0 HD1 PHE A 54 4.591 -0.641 9.201 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.073 0.809 6.039 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.030 -2.528 9.582 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.508 -1.075 6.423 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.989 -2.747 8.191 1.00 0.00 H new ATOM 844 N ASP A 55 2.512 4.059 7.241 1.00 0.00 N ATOM 845 CA ASP A 55 1.170 4.621 6.914 1.00 0.00 C ATOM 846 C ASP A 55 0.289 3.575 6.222 1.00 0.00 C ATOM 847 O ASP A 55 -0.810 3.292 6.660 1.00 0.00 O ATOM 848 CB ASP A 55 1.453 5.791 5.969 1.00 0.00 C ATOM 849 CG ASP A 55 1.127 7.108 6.676 1.00 0.00 C ATOM 850 OD1 ASP A 55 -0.036 7.327 6.973 1.00 0.00 O ATOM 851 OD2 ASP A 55 2.047 7.875 6.907 1.00 0.00 O ATOM 0 H ASP A 55 3.300 4.547 6.816 1.00 0.00 H new ATOM 0 HA ASP A 55 0.632 4.932 7.810 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.499 5.780 5.662 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.854 5.694 5.063 1.00 0.00 H new ATOM 856 N ILE A 56 0.745 3.012 5.134 1.00 0.00 N ATOM 857 CA ILE A 56 -0.094 2.006 4.415 1.00 0.00 C ATOM 858 C ILE A 56 0.779 0.937 3.746 1.00 0.00 C ATOM 859 O ILE A 56 1.972 1.107 3.607 1.00 0.00 O ATOM 860 CB ILE A 56 -0.834 2.839 3.378 1.00 0.00 C ATOM 861 CG1 ILE A 56 -1.839 3.735 4.113 1.00 0.00 C ATOM 862 CG2 ILE A 56 -1.539 1.914 2.382 1.00 0.00 C ATOM 863 CD1 ILE A 56 -2.884 4.263 3.137 1.00 0.00 C ATOM 0 H ILE A 56 1.655 3.203 4.714 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.766 1.461 5.078 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.140 3.464 2.816 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.326 3.171 4.909 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.318 4.568 4.585 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.068 2.513 1.641 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.801 1.287 1.882 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.251 1.282 2.913 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.592 4.898 3.670 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.392 4.844 2.357 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.416 3.426 2.685 1.00 0.00 H new ATOM 875 N ALA A 57 0.203 -0.174 3.341 1.00 0.00 N ATOM 876 CA ALA A 57 1.029 -1.240 2.707 1.00 0.00 C ATOM 877 C ALA A 57 0.346 -1.794 1.449 1.00 0.00 C ATOM 878 O ALA A 57 -0.850 -1.737 1.303 1.00 0.00 O ATOM 879 CB ALA A 57 1.114 -2.327 3.784 1.00 0.00 C ATOM 0 H ALA A 57 -0.792 -0.382 3.423 1.00 0.00 H new ATOM 0 HA ALA A 57 2.005 -0.873 2.388 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.707 -3.163 3.412 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.585 -1.918 4.678 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.111 -2.675 4.030 1.00 0.00 H new ATOM 885 N ILE A 58 1.100 -2.354 0.548 1.00 0.00 N ATOM 886 CA ILE A 58 0.485 -2.954 -0.674 1.00 0.00 C ATOM 887 C ILE A 58 1.399 -4.055 -1.203 1.00 0.00 C ATOM 888 O ILE A 58 2.495 -3.813 -1.665 1.00 0.00 O ATOM 889 CB ILE A 58 0.302 -1.825 -1.690 1.00 0.00 C ATOM 890 CG1 ILE A 58 -0.941 -1.017 -1.322 1.00 0.00 C ATOM 891 CG2 ILE A 58 0.120 -2.420 -3.086 1.00 0.00 C ATOM 892 CD1 ILE A 58 -0.518 0.244 -0.567 1.00 0.00 C ATOM 0 H ILE A 58 2.116 -2.424 0.601 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.483 -3.408 -0.464 1.00 0.00 H new ATOM 0 HB ILE A 58 1.180 -1.179 -1.681 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.494 -0.748 -2.222 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.610 -1.617 -0.705 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.010 -1.616 -3.810 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.000 -3.006 -3.349 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.760 -3.063 -3.096 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.402 0.824 -0.303 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.016 -0.037 0.340 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.134 0.846 -1.200 1.00 0.00 H new ATOM 904 N ILE A 59 0.948 -5.268 -1.115 1.00 0.00 N ATOM 905 CA ILE A 59 1.764 -6.419 -1.583 1.00 0.00 C ATOM 906 C ILE A 59 0.875 -7.390 -2.361 1.00 0.00 C ATOM 907 O ILE A 59 0.286 -8.286 -1.797 1.00 0.00 O ATOM 908 CB ILE A 59 2.283 -7.074 -0.298 1.00 0.00 C ATOM 909 CG1 ILE A 59 3.313 -6.156 0.366 1.00 0.00 C ATOM 910 CG2 ILE A 59 2.934 -8.416 -0.628 1.00 0.00 C ATOM 911 CD1 ILE A 59 2.629 -5.325 1.453 1.00 0.00 C ATOM 0 H ILE A 59 0.035 -5.517 -0.733 1.00 0.00 H new ATOM 0 HA ILE A 59 2.578 -6.123 -2.245 1.00 0.00 H new ATOM 0 HB ILE A 59 1.448 -7.237 0.384 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.119 -6.749 0.799 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.765 -5.500 -0.378 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.301 -8.877 0.289 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.199 -9.072 -1.095 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.767 -8.258 -1.313 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.362 -4.671 1.926 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.839 -4.721 1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.198 -5.990 2.202 1.00 0.00 H new ATOM 923 N ASP A 60 0.768 -7.212 -3.646 1.00 0.00 N ATOM 924 CA ASP A 60 -0.096 -8.123 -4.468 1.00 0.00 C ATOM 925 C ASP A 60 0.002 -9.569 -3.969 1.00 0.00 C ATOM 926 O ASP A 60 1.040 -10.011 -3.517 1.00 0.00 O ATOM 927 CB ASP A 60 0.470 -8.021 -5.876 1.00 0.00 C ATOM 928 CG ASP A 60 -0.597 -7.467 -6.821 1.00 0.00 C ATOM 929 OD1 ASP A 60 -1.554 -8.178 -7.084 1.00 0.00 O ATOM 930 OD2 ASP A 60 -0.440 -6.343 -7.267 1.00 0.00 O ATOM 0 H ASP A 60 1.240 -6.475 -4.170 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.148 -7.843 -4.413 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.346 -7.372 -5.880 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.799 -9.002 -6.218 1.00 0.00 H new ATOM 935 N VAL A 61 -1.074 -10.311 -4.048 1.00 0.00 N ATOM 936 CA VAL A 61 -1.035 -11.724 -3.578 1.00 0.00 C ATOM 937 C VAL A 61 -1.412 -12.687 -4.722 1.00 0.00 C ATOM 938 O VAL A 61 -1.711 -13.842 -4.497 1.00 0.00 O ATOM 939 CB VAL A 61 -2.028 -11.779 -2.401 1.00 0.00 C ATOM 940 CG1 VAL A 61 -3.087 -12.873 -2.604 1.00 0.00 C ATOM 941 CG2 VAL A 61 -1.249 -12.065 -1.115 1.00 0.00 C ATOM 0 H VAL A 61 -1.973 -9.999 -4.416 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.041 -12.037 -3.259 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.543 -10.820 -2.339 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.769 -12.881 -1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.647 -12.672 -3.517 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.597 -13.843 -2.685 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.940 -12.107 -0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.732 -13.020 -1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.520 -11.272 -0.947 1.00 0.00 H new ATOM 951 N ASN A 62 -1.387 -12.232 -5.945 1.00 0.00 N ATOM 952 CA ASN A 62 -1.738 -13.150 -7.072 1.00 0.00 C ATOM 953 C ASN A 62 -0.973 -12.795 -8.350 1.00 0.00 C ATOM 954 O ASN A 62 -1.174 -13.404 -9.383 1.00 0.00 O ATOM 955 CB ASN A 62 -3.229 -12.946 -7.293 1.00 0.00 C ATOM 956 CG ASN A 62 -3.998 -14.137 -6.717 1.00 0.00 C ATOM 957 OD1 ASN A 62 -3.957 -15.223 -7.261 1.00 0.00 O ATOM 958 ND2 ASN A 62 -4.701 -13.980 -5.630 1.00 0.00 N ATOM 0 H ASN A 62 -1.143 -11.279 -6.213 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.479 -14.182 -6.834 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.555 -12.023 -6.814 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.439 -12.844 -8.358 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.216 -14.768 -5.237 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.736 -13.069 -5.173 1.00 0.00 H new ATOM 965 N LEU A 63 -0.110 -11.820 -8.307 1.00 0.00 N ATOM 966 CA LEU A 63 0.637 -11.453 -9.541 1.00 0.00 C ATOM 967 C LEU A 63 1.998 -12.146 -9.571 1.00 0.00 C ATOM 968 O LEU A 63 2.780 -12.046 -8.646 1.00 0.00 O ATOM 969 CB LEU A 63 0.804 -9.937 -9.468 1.00 0.00 C ATOM 970 CG LEU A 63 0.426 -9.324 -10.816 1.00 0.00 C ATOM 971 CD1 LEU A 63 -1.067 -9.540 -11.074 1.00 0.00 C ATOM 972 CD2 LEU A 63 0.725 -7.825 -10.798 1.00 0.00 C ATOM 0 H LEU A 63 0.109 -11.266 -7.479 1.00 0.00 H new ATOM 0 HA LEU A 63 0.111 -11.762 -10.445 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.173 -9.527 -8.679 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.834 -9.684 -9.216 1.00 0.00 H new ATOM 0 HG LEU A 63 1.006 -9.801 -11.606 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.337 -9.103 -12.035 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.283 -10.608 -11.088 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.646 -9.063 -10.283 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.455 -7.389 -11.760 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.146 -7.348 -10.008 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.788 -7.668 -10.614 1.00 0.00 H new ATOM 984 N ASP A 64 2.286 -12.849 -10.631 1.00 0.00 N ATOM 985 CA ASP A 64 3.597 -13.551 -10.731 1.00 0.00 C ATOM 986 C ASP A 64 3.779 -14.507 -9.553 1.00 0.00 C ATOM 987 O ASP A 64 4.879 -14.706 -9.076 1.00 0.00 O ATOM 988 CB ASP A 64 4.647 -12.439 -10.665 1.00 0.00 C ATOM 989 CG ASP A 64 5.658 -12.618 -11.800 1.00 0.00 C ATOM 990 OD1 ASP A 64 5.599 -13.640 -12.465 1.00 0.00 O ATOM 991 OD2 ASP A 64 6.475 -11.731 -11.985 1.00 0.00 O ATOM 0 H ASP A 64 1.669 -12.968 -11.434 1.00 0.00 H new ATOM 0 HA ASP A 64 3.674 -14.143 -11.643 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.165 -11.465 -10.745 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.158 -12.464 -9.702 1.00 0.00 H new ATOM 996 N GLY A 65 2.719 -15.082 -9.052 1.00 0.00 N ATOM 997 CA GLY A 65 2.881 -15.988 -7.882 1.00 0.00 C ATOM 998 C GLY A 65 3.337 -15.122 -6.715 1.00 0.00 C ATOM 999 O GLY A 65 4.422 -15.269 -6.189 1.00 0.00 O ATOM 0 H GLY A 65 1.765 -14.966 -9.395 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.942 -16.489 -7.648 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.613 -16.767 -8.095 1.00 0.00 H new ATOM 1003 N GLU A 66 2.509 -14.191 -6.348 1.00 0.00 N ATOM 1004 CA GLU A 66 2.830 -13.241 -5.260 1.00 0.00 C ATOM 1005 C GLU A 66 3.734 -13.842 -4.189 1.00 0.00 C ATOM 1006 O GLU A 66 3.463 -14.900 -3.657 1.00 0.00 O ATOM 1007 CB GLU A 66 1.471 -12.892 -4.659 1.00 0.00 C ATOM 1008 CG GLU A 66 0.988 -14.037 -3.750 1.00 0.00 C ATOM 1009 CD GLU A 66 0.864 -15.323 -4.570 1.00 0.00 C ATOM 1010 OE1 GLU A 66 -0.015 -15.380 -5.415 1.00 0.00 O ATOM 1011 OE2 GLU A 66 1.652 -16.226 -4.343 1.00 0.00 O ATOM 0 H GLU A 66 1.593 -14.047 -6.773 1.00 0.00 H new ATOM 0 HA GLU A 66 3.378 -12.381 -5.644 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.544 -11.968 -4.086 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.746 -12.718 -5.454 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.689 -14.183 -2.928 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.026 -13.782 -3.306 1.00 0.00 H new ATOM 1018 N PRO A 67 4.753 -13.100 -3.863 1.00 0.00 N ATOM 1019 CA PRO A 67 5.663 -13.494 -2.790 1.00 0.00 C ATOM 1020 C PRO A 67 5.145 -12.813 -1.524 1.00 0.00 C ATOM 1021 O PRO A 67 5.891 -12.263 -0.748 1.00 0.00 O ATOM 1022 CB PRO A 67 6.992 -12.893 -3.222 1.00 0.00 C ATOM 1023 CG PRO A 67 6.636 -11.724 -4.101 1.00 0.00 C ATOM 1024 CD PRO A 67 5.171 -11.836 -4.467 1.00 0.00 C ATOM 0 HA PRO A 67 5.748 -14.565 -2.607 1.00 0.00 H new ATOM 0 HB2 PRO A 67 7.577 -12.572 -2.360 1.00 0.00 H new ATOM 0 HB3 PRO A 67 7.595 -13.622 -3.763 1.00 0.00 H new ATOM 0 HG2 PRO A 67 6.827 -10.785 -3.581 1.00 0.00 H new ATOM 0 HG3 PRO A 67 7.253 -11.722 -4.999 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.596 -10.997 -4.075 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.029 -11.843 -5.548 1.00 0.00 H new ATOM 1032 N SER A 68 3.846 -12.812 -1.353 1.00 0.00 N ATOM 1033 CA SER A 68 3.219 -12.128 -0.176 1.00 0.00 C ATOM 1034 C SER A 68 3.733 -12.656 1.174 1.00 0.00 C ATOM 1035 O SER A 68 3.313 -12.179 2.210 1.00 0.00 O ATOM 1036 CB SER A 68 1.726 -12.425 -0.314 1.00 0.00 C ATOM 1037 OG SER A 68 1.038 -11.914 0.821 1.00 0.00 O ATOM 0 H SER A 68 3.184 -13.261 -1.986 1.00 0.00 H new ATOM 0 HA SER A 68 3.459 -11.065 -0.178 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.336 -11.971 -1.225 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.564 -13.499 -0.399 1.00 0.00 H new ATOM 0 HG SER A 68 0.547 -12.640 1.260 1.00 0.00 H new ATOM 1043 N TYR A 69 4.609 -13.634 1.174 1.00 0.00 N ATOM 1044 CA TYR A 69 5.131 -14.210 2.456 1.00 0.00 C ATOM 1045 C TYR A 69 4.002 -14.385 3.477 1.00 0.00 C ATOM 1046 O TYR A 69 2.857 -14.041 3.232 1.00 0.00 O ATOM 1047 CB TYR A 69 6.212 -13.255 3.022 1.00 0.00 C ATOM 1048 CG TYR A 69 6.306 -11.948 2.261 1.00 0.00 C ATOM 1049 CD1 TYR A 69 5.425 -10.900 2.550 1.00 0.00 C ATOM 1050 CD2 TYR A 69 7.296 -11.779 1.286 1.00 0.00 C ATOM 1051 CE1 TYR A 69 5.527 -9.687 1.863 1.00 0.00 C ATOM 1052 CE2 TYR A 69 7.397 -10.566 0.596 1.00 0.00 C ATOM 1053 CZ TYR A 69 6.512 -9.520 0.883 1.00 0.00 C ATOM 1054 OH TYR A 69 6.613 -8.322 0.205 1.00 0.00 O ATOM 0 H TYR A 69 4.989 -14.063 0.330 1.00 0.00 H new ATOM 0 HA TYR A 69 5.560 -15.193 2.260 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.991 -13.044 4.068 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.180 -13.755 2.995 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.664 -11.029 3.306 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.981 -12.584 1.066 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.846 -8.879 2.088 1.00 0.00 H new ATOM 0 HE2 TYR A 69 8.159 -10.437 -0.159 1.00 0.00 H new ATOM 0 HH TYR A 69 6.087 -7.638 0.670 1.00 0.00 H new ATOM 1064 N PRO A 70 4.363 -14.919 4.608 1.00 0.00 N ATOM 1065 CA PRO A 70 3.371 -15.130 5.680 1.00 0.00 C ATOM 1066 C PRO A 70 3.005 -13.800 6.346 1.00 0.00 C ATOM 1067 O PRO A 70 2.348 -13.775 7.366 1.00 0.00 O ATOM 1068 CB PRO A 70 4.089 -16.051 6.661 1.00 0.00 C ATOM 1069 CG PRO A 70 5.548 -15.812 6.427 1.00 0.00 C ATOM 1070 CD PRO A 70 5.704 -15.383 4.990 1.00 0.00 C ATOM 0 HA PRO A 70 2.434 -15.552 5.316 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.813 -15.822 7.690 1.00 0.00 H new ATOM 0 HB3 PRO A 70 3.828 -17.094 6.485 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.925 -15.043 7.101 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.123 -16.717 6.623 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.444 -14.589 4.889 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.034 -16.209 4.361 1.00 0.00 H new ATOM 1078 N VAL A 71 3.416 -12.686 5.796 1.00 0.00 N ATOM 1079 CA VAL A 71 3.062 -11.400 6.442 1.00 0.00 C ATOM 1080 C VAL A 71 1.896 -10.740 5.699 1.00 0.00 C ATOM 1081 O VAL A 71 0.817 -10.660 6.233 1.00 0.00 O ATOM 1082 CB VAL A 71 4.354 -10.535 6.492 1.00 0.00 C ATOM 1083 CG1 VAL A 71 5.579 -11.361 6.083 1.00 0.00 C ATOM 1084 CG2 VAL A 71 4.255 -9.312 5.567 1.00 0.00 C ATOM 0 H VAL A 71 3.971 -12.617 4.943 1.00 0.00 H new ATOM 0 HA VAL A 71 2.708 -11.537 7.464 1.00 0.00 H new ATOM 0 HB VAL A 71 4.464 -10.193 7.521 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.470 -10.735 6.125 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.694 -12.203 6.765 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.445 -11.733 5.067 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.176 -8.733 5.630 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.104 -9.644 4.540 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.414 -8.690 5.875 1.00 0.00 H new ATOM 1094 N ALA A 72 2.057 -10.309 4.471 1.00 0.00 N ATOM 1095 CA ALA A 72 0.885 -9.728 3.756 1.00 0.00 C ATOM 1096 C ALA A 72 -0.252 -10.711 3.930 1.00 0.00 C ATOM 1097 O ALA A 72 -1.408 -10.360 4.080 1.00 0.00 O ATOM 1098 CB ALA A 72 1.303 -9.667 2.297 1.00 0.00 C ATOM 0 H ALA A 72 2.930 -10.334 3.945 1.00 0.00 H new ATOM 0 HA ALA A 72 0.580 -8.745 4.116 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.490 -9.249 1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.187 -9.037 2.198 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.532 -10.672 1.942 1.00 0.00 H new ATOM 1104 N ASP A 73 0.107 -11.959 3.948 1.00 0.00 N ATOM 1105 CA ASP A 73 -0.888 -13.021 4.153 1.00 0.00 C ATOM 1106 C ASP A 73 -1.545 -12.816 5.511 1.00 0.00 C ATOM 1107 O ASP A 73 -2.748 -12.718 5.642 1.00 0.00 O ATOM 1108 CB ASP A 73 -0.045 -14.278 4.196 1.00 0.00 C ATOM 1109 CG ASP A 73 0.280 -14.740 2.775 1.00 0.00 C ATOM 1110 OD1 ASP A 73 -0.234 -14.140 1.844 1.00 0.00 O ATOM 1111 OD2 ASP A 73 1.038 -15.687 2.640 1.00 0.00 O ATOM 0 H ASP A 73 1.066 -12.286 3.827 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.669 -13.047 3.393 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.877 -14.088 4.745 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.578 -15.065 4.730 1.00 0.00 H new ATOM 1116 N ILE A 74 -0.724 -12.741 6.521 1.00 0.00 N ATOM 1117 CA ILE A 74 -1.232 -12.529 7.904 1.00 0.00 C ATOM 1118 C ILE A 74 -1.906 -11.165 7.951 1.00 0.00 C ATOM 1119 O ILE A 74 -2.942 -10.974 8.559 1.00 0.00 O ATOM 1120 CB ILE A 74 0.023 -12.569 8.798 1.00 0.00 C ATOM 1121 CG1 ILE A 74 0.168 -13.966 9.406 1.00 0.00 C ATOM 1122 CG2 ILE A 74 -0.086 -11.540 9.931 1.00 0.00 C ATOM 1123 CD1 ILE A 74 0.317 -15.005 8.292 1.00 0.00 C ATOM 0 H ILE A 74 0.290 -12.819 6.445 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.960 -13.272 8.229 1.00 0.00 H new ATOM 0 HB ILE A 74 0.893 -12.331 8.186 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.037 -13.998 10.064 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.704 -14.198 10.018 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.810 -11.585 10.550 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.185 -10.541 9.507 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.961 -11.763 10.542 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.420 -15.997 8.731 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.565 -14.981 7.652 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.202 -14.778 7.698 1.00 0.00 H new ATOM 1135 N LEU A 75 -1.318 -10.226 7.277 1.00 0.00 N ATOM 1136 CA LEU A 75 -1.887 -8.868 7.220 1.00 0.00 C ATOM 1137 C LEU A 75 -3.361 -8.982 6.839 1.00 0.00 C ATOM 1138 O LEU A 75 -4.164 -8.119 7.127 1.00 0.00 O ATOM 1139 CB LEU A 75 -1.056 -8.173 6.137 1.00 0.00 C ATOM 1140 CG LEU A 75 -0.769 -6.736 6.566 1.00 0.00 C ATOM 1141 CD1 LEU A 75 0.151 -6.754 7.788 1.00 0.00 C ATOM 1142 CD2 LEU A 75 -0.082 -5.984 5.423 1.00 0.00 C ATOM 0 H LEU A 75 -0.451 -10.349 6.755 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.849 -8.314 8.158 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.121 -8.711 5.978 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.593 -8.181 5.189 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.705 -6.235 6.814 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.361 -5.731 8.101 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.336 -7.290 8.603 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.085 -7.254 7.533 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.121 -4.959 5.732 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.856 -6.480 5.173 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.733 -5.977 4.549 1.00 0.00 H new ATOM 1154 N ALA A 76 -3.719 -10.066 6.208 1.00 0.00 N ATOM 1155 CA ALA A 76 -5.133 -10.276 5.822 1.00 0.00 C ATOM 1156 C ALA A 76 -5.863 -11.049 6.928 1.00 0.00 C ATOM 1157 O ALA A 76 -7.004 -10.779 7.242 1.00 0.00 O ATOM 1158 CB ALA A 76 -5.066 -11.110 4.542 1.00 0.00 C ATOM 0 H ALA A 76 -3.083 -10.819 5.943 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.672 -9.340 5.673 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.076 -11.312 4.186 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.515 -10.561 3.778 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.559 -12.052 4.748 1.00 0.00 H new ATOM 1164 N GLU A 77 -5.213 -12.014 7.518 1.00 0.00 N ATOM 1165 CA GLU A 77 -5.868 -12.807 8.594 1.00 0.00 C ATOM 1166 C GLU A 77 -6.209 -11.913 9.790 1.00 0.00 C ATOM 1167 O GLU A 77 -7.258 -12.035 10.391 1.00 0.00 O ATOM 1168 CB GLU A 77 -4.835 -13.864 8.990 1.00 0.00 C ATOM 1169 CG GLU A 77 -4.449 -14.691 7.759 1.00 0.00 C ATOM 1170 CD GLU A 77 -4.512 -16.178 8.106 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -5.583 -16.635 8.471 1.00 0.00 O ATOM 1172 OE2 GLU A 77 -3.490 -16.836 8.000 1.00 0.00 O ATOM 0 H GLU A 77 -4.255 -12.287 7.300 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.805 -13.254 8.261 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.951 -13.384 9.410 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.243 -14.514 9.764 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.125 -14.470 6.933 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.445 -14.426 7.429 1.00 0.00 H new ATOM 1179 N ARG A 78 -5.328 -11.018 10.144 1.00 0.00 N ATOM 1180 CA ARG A 78 -5.596 -10.124 11.300 1.00 0.00 C ATOM 1181 C ARG A 78 -5.824 -8.685 10.824 1.00 0.00 C ATOM 1182 O ARG A 78 -6.684 -7.987 11.320 1.00 0.00 O ATOM 1183 CB ARG A 78 -4.343 -10.215 12.167 1.00 0.00 C ATOM 1184 CG ARG A 78 -3.162 -9.587 11.426 1.00 0.00 C ATOM 1185 CD ARG A 78 -1.886 -9.798 12.240 1.00 0.00 C ATOM 1186 NE ARG A 78 -2.081 -8.986 13.472 1.00 0.00 N ATOM 1187 CZ ARG A 78 -1.131 -8.916 14.363 1.00 0.00 C ATOM 1188 NH1 ARG A 78 0.058 -8.501 14.021 1.00 0.00 N ATOM 1189 NH2 ARG A 78 -1.372 -9.259 15.598 1.00 0.00 N ATOM 0 H ARG A 78 -4.432 -10.869 9.680 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.492 -10.416 11.847 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.506 -9.702 13.115 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.126 -11.257 12.402 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.056 -10.037 10.439 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.338 -8.522 11.274 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.740 -10.851 12.480 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.005 -9.472 11.687 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.957 -8.485 13.619 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.246 -8.231 13.056 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.800 -8.447 14.719 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.302 -9.581 15.866 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.630 -9.205 16.296 1.00 0.00 H new ATOM 1203 N ASN A 79 -5.064 -8.243 9.859 1.00 0.00 N ATOM 1204 CA ASN A 79 -5.232 -6.856 9.336 1.00 0.00 C ATOM 1205 C ASN A 79 -5.052 -5.816 10.450 1.00 0.00 C ATOM 1206 O ASN A 79 -5.521 -5.977 11.560 1.00 0.00 O ATOM 1207 CB ASN A 79 -6.652 -6.784 8.766 1.00 0.00 C ATOM 1208 CG ASN A 79 -7.110 -8.146 8.233 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -7.561 -8.989 8.983 1.00 0.00 O ATOM 1210 ND2 ASN A 79 -7.019 -8.393 6.959 1.00 0.00 N ATOM 0 H ASN A 79 -4.329 -8.787 9.407 1.00 0.00 H new ATOM 0 HA ASN A 79 -4.481 -6.635 8.577 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.340 -6.445 9.540 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.687 -6.047 7.964 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.326 -9.293 6.591 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.641 -7.686 6.328 1.00 0.00 H new ATOM 1217 N VAL A 80 -4.372 -4.748 10.139 1.00 0.00 N ATOM 1218 CA VAL A 80 -4.131 -3.654 11.135 1.00 0.00 C ATOM 1219 C VAL A 80 -4.330 -2.312 10.410 1.00 0.00 C ATOM 1220 O VAL A 80 -4.795 -2.310 9.289 1.00 0.00 O ATOM 1221 CB VAL A 80 -2.667 -3.830 11.607 1.00 0.00 C ATOM 1222 CG1 VAL A 80 -2.637 -3.998 13.128 1.00 0.00 C ATOM 1223 CG2 VAL A 80 -2.023 -5.070 10.969 1.00 0.00 C ATOM 0 H VAL A 80 -3.963 -4.580 9.220 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.806 -3.684 11.990 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.108 -2.944 11.305 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.606 -4.122 13.460 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.067 -3.115 13.600 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.217 -4.877 13.408 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.995 -5.167 11.319 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.588 -5.959 11.250 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.028 -4.965 9.884 1.00 0.00 H new ATOM 1233 N PRO A 81 -3.961 -1.207 11.022 1.00 0.00 N ATOM 1234 CA PRO A 81 -4.117 0.093 10.320 1.00 0.00 C ATOM 1235 C PRO A 81 -3.225 0.069 9.084 1.00 0.00 C ATOM 1236 O PRO A 81 -2.021 -0.054 9.184 1.00 0.00 O ATOM 1237 CB PRO A 81 -3.667 1.122 11.349 1.00 0.00 C ATOM 1238 CG PRO A 81 -2.793 0.357 12.286 1.00 0.00 C ATOM 1239 CD PRO A 81 -3.377 -1.030 12.360 1.00 0.00 C ATOM 0 HA PRO A 81 -5.127 0.314 9.974 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.123 1.942 10.879 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.518 1.561 11.869 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -1.765 0.329 11.925 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.773 0.825 13.270 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.614 -1.780 12.571 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.130 -1.111 13.144 1.00 0.00 H new ATOM 1247 N PHE A 82 -3.817 0.134 7.920 1.00 0.00 N ATOM 1248 CA PHE A 82 -3.024 0.044 6.666 1.00 0.00 C ATOM 1249 C PHE A 82 -3.954 -0.010 5.448 1.00 0.00 C ATOM 1250 O PHE A 82 -5.031 0.550 5.427 1.00 0.00 O ATOM 1251 CB PHE A 82 -2.289 -1.304 6.786 1.00 0.00 C ATOM 1252 CG PHE A 82 -3.241 -2.470 6.519 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -4.625 -2.338 6.733 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -2.728 -3.692 6.062 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -5.483 -3.416 6.491 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -3.592 -4.772 5.823 1.00 0.00 C ATOM 1257 CZ PHE A 82 -4.967 -4.633 6.038 1.00 0.00 C ATOM 0 H PHE A 82 -4.822 0.246 7.787 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.358 0.898 6.538 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.461 -1.336 6.078 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.859 -1.401 7.783 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.027 -1.400 7.086 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.667 -3.802 5.894 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.545 -3.308 6.654 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.194 -5.713 5.472 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.630 -5.466 5.854 1.00 0.00 H new ATOM 1267 N ILE A 83 -3.532 -0.742 4.457 1.00 0.00 N ATOM 1268 CA ILE A 83 -4.335 -0.944 3.226 1.00 0.00 C ATOM 1269 C ILE A 83 -3.634 -2.052 2.439 1.00 0.00 C ATOM 1270 O ILE A 83 -2.463 -2.289 2.650 1.00 0.00 O ATOM 1271 CB ILE A 83 -4.315 0.411 2.511 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -5.693 1.079 2.614 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -3.937 0.258 1.030 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -5.516 2.591 2.754 1.00 0.00 C ATOM 0 H ILE A 83 -2.633 -1.224 4.452 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.371 -1.247 3.381 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.563 1.032 2.998 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.286 0.852 1.728 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.237 0.685 3.472 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.932 1.238 0.553 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.946 -0.189 0.952 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.664 -0.384 0.533 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.494 3.067 2.827 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.939 2.808 3.653 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.989 2.978 1.882 1.00 0.00 H new ATOM 1286 N PHE A 84 -4.321 -2.748 1.571 1.00 0.00 N ATOM 1287 CA PHE A 84 -3.651 -3.848 0.814 1.00 0.00 C ATOM 1288 C PHE A 84 -4.381 -4.139 -0.499 1.00 0.00 C ATOM 1289 O PHE A 84 -5.514 -3.728 -0.730 1.00 0.00 O ATOM 1290 CB PHE A 84 -3.725 -5.064 1.739 1.00 0.00 C ATOM 1291 CG PHE A 84 -2.880 -6.211 1.192 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -3.395 -7.032 0.177 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -1.588 -6.462 1.696 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -2.630 -8.090 -0.335 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -0.829 -7.527 1.179 1.00 0.00 C ATOM 1296 CZ PHE A 84 -1.352 -8.336 0.165 1.00 0.00 C ATOM 0 H PHE A 84 -5.307 -2.605 1.355 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.627 -3.586 0.548 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.376 -4.791 2.735 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.761 -5.386 1.842 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.386 -6.848 -0.212 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.182 -5.838 2.478 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.032 -8.716 -1.118 1.00 0.00 H new ATOM 0 HE2 PHE A 84 0.160 -7.721 1.566 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.765 -9.152 -0.231 1.00 0.00 H new ATOM 1306 N ALA A 85 -3.735 -4.852 -1.364 1.00 0.00 N ATOM 1307 CA ALA A 85 -4.361 -5.194 -2.659 1.00 0.00 C ATOM 1308 C ALA A 85 -3.803 -6.522 -3.151 1.00 0.00 C ATOM 1309 O ALA A 85 -2.790 -6.993 -2.674 1.00 0.00 O ATOM 1310 CB ALA A 85 -3.974 -4.059 -3.605 1.00 0.00 C ATOM 0 H ALA A 85 -2.792 -5.216 -1.229 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.444 -5.300 -2.590 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.404 -4.243 -4.590 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.353 -3.115 -3.215 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.888 -4.008 -3.687 1.00 0.00 H new ATOM 1316 N THR A 86 -4.449 -7.131 -4.094 1.00 0.00 N ATOM 1317 CA THR A 86 -3.939 -8.433 -4.601 1.00 0.00 C ATOM 1318 C THR A 86 -4.696 -8.848 -5.868 1.00 0.00 C ATOM 1319 O THR A 86 -5.732 -8.298 -6.187 1.00 0.00 O ATOM 1320 CB THR A 86 -4.194 -9.432 -3.468 1.00 0.00 C ATOM 1321 OG1 THR A 86 -4.185 -10.750 -3.998 1.00 0.00 O ATOM 1322 CG2 THR A 86 -5.544 -9.160 -2.785 1.00 0.00 C ATOM 0 H THR A 86 -5.303 -6.791 -4.536 1.00 0.00 H new ATOM 0 HA THR A 86 -2.883 -8.383 -4.868 1.00 0.00 H new ATOM 0 HB THR A 86 -3.407 -9.322 -2.722 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.014 -11.209 -3.749 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.699 -9.884 -1.985 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.545 -8.153 -2.368 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.347 -9.250 -3.517 1.00 0.00 H new ATOM 1330 N GLY A 87 -4.205 -9.818 -6.587 1.00 0.00 N ATOM 1331 CA GLY A 87 -4.930 -10.257 -7.816 1.00 0.00 C ATOM 1332 C GLY A 87 -6.415 -10.426 -7.475 1.00 0.00 C ATOM 1333 O GLY A 87 -7.279 -10.276 -8.316 1.00 0.00 O ATOM 0 H GLY A 87 -3.343 -10.323 -6.382 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.806 -9.522 -8.611 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.517 -11.197 -8.183 1.00 0.00 H new ATOM 1337 N TYR A 88 -6.712 -10.723 -6.237 1.00 0.00 N ATOM 1338 CA TYR A 88 -8.135 -10.888 -5.813 1.00 0.00 C ATOM 1339 C TYR A 88 -8.654 -9.555 -5.261 1.00 0.00 C ATOM 1340 O TYR A 88 -9.844 -9.326 -5.171 1.00 0.00 O ATOM 1341 CB TYR A 88 -8.094 -11.969 -4.725 1.00 0.00 C ATOM 1342 CG TYR A 88 -9.276 -11.826 -3.796 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -10.576 -11.840 -4.312 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -9.072 -11.689 -2.417 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -11.673 -11.715 -3.452 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -10.168 -11.563 -1.557 1.00 0.00 C ATOM 1347 CZ TYR A 88 -11.469 -11.577 -2.074 1.00 0.00 C ATOM 1348 OH TYR A 88 -12.550 -11.456 -1.227 1.00 0.00 O ATOM 0 H TYR A 88 -6.025 -10.859 -5.496 1.00 0.00 H new ATOM 0 HA TYR A 88 -8.800 -11.174 -6.628 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.102 -12.957 -5.185 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.166 -11.889 -4.158 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -10.733 -11.947 -5.375 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.069 -11.681 -2.018 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -12.676 -11.725 -3.851 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -10.011 -11.455 -0.494 1.00 0.00 H new ATOM 0 HH TYR A 88 -12.637 -12.271 -0.689 1.00 0.00 H new ATOM 1358 N GLY A 89 -7.762 -8.668 -4.917 1.00 0.00 N ATOM 1359 CA GLY A 89 -8.181 -7.338 -4.401 1.00 0.00 C ATOM 1360 C GLY A 89 -8.085 -7.278 -2.871 1.00 0.00 C ATOM 1361 O GLY A 89 -7.338 -6.500 -2.313 1.00 0.00 O ATOM 0 H GLY A 89 -6.753 -8.810 -4.972 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.553 -6.562 -4.838 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.205 -7.131 -4.712 1.00 0.00 H new ATOM 1365 N SER A 90 -8.857 -8.076 -2.199 1.00 0.00 N ATOM 1366 CA SER A 90 -8.854 -8.069 -0.705 1.00 0.00 C ATOM 1367 C SER A 90 -10.009 -8.927 -0.180 1.00 0.00 C ATOM 1368 O SER A 90 -11.084 -8.947 -0.746 1.00 0.00 O ATOM 1369 CB SER A 90 -9.061 -6.605 -0.319 1.00 0.00 C ATOM 1370 OG SER A 90 -7.802 -6.009 -0.033 1.00 0.00 O ATOM 0 H SER A 90 -9.501 -8.744 -2.622 1.00 0.00 H new ATOM 0 HA SER A 90 -7.933 -8.475 -0.287 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.553 -6.070 -1.131 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.714 -6.536 0.551 1.00 0.00 H new ATOM 0 HG SER A 90 -7.170 -6.219 -0.752 1.00 0.00 H new ATOM 1376 N LYS A 91 -9.797 -9.636 0.893 1.00 0.00 N ATOM 1377 CA LYS A 91 -10.883 -10.488 1.443 1.00 0.00 C ATOM 1378 C LYS A 91 -11.635 -9.746 2.550 1.00 0.00 C ATOM 1379 O LYS A 91 -12.006 -10.321 3.554 1.00 0.00 O ATOM 1380 CB LYS A 91 -10.185 -11.727 2.000 1.00 0.00 C ATOM 1381 CG LYS A 91 -9.251 -11.323 3.141 1.00 0.00 C ATOM 1382 CD LYS A 91 -9.736 -11.961 4.444 1.00 0.00 C ATOM 1383 CE LYS A 91 -8.790 -11.577 5.583 1.00 0.00 C ATOM 1384 NZ LYS A 91 -9.629 -11.631 6.812 1.00 0.00 N ATOM 0 H LYS A 91 -8.919 -9.661 1.411 1.00 0.00 H new ATOM 0 HA LYS A 91 -11.620 -10.749 0.683 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.925 -12.443 2.359 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.619 -12.222 1.212 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.232 -11.644 2.923 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.229 -10.238 3.241 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.749 -11.627 4.670 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.774 -13.045 4.338 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.949 -12.267 5.648 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.374 -10.581 5.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.050 -11.379 7.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.418 -10.959 6.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.006 -12.593 6.933 1.00 0.00 H new ATOM 1398 N GLY A 92 -11.869 -8.475 2.370 1.00 0.00 N ATOM 1399 CA GLY A 92 -12.605 -7.694 3.405 1.00 0.00 C ATOM 1400 C GLY A 92 -11.725 -7.501 4.643 1.00 0.00 C ATOM 1401 O GLY A 92 -12.195 -7.549 5.762 1.00 0.00 O ATOM 0 H GLY A 92 -11.582 -7.942 1.549 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.896 -6.724 3.001 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -13.523 -8.214 3.679 1.00 0.00 H new ATOM 1405 N LEU A 93 -10.452 -7.283 4.456 1.00 0.00 N ATOM 1406 CA LEU A 93 -9.552 -7.089 5.632 1.00 0.00 C ATOM 1407 C LEU A 93 -10.164 -6.113 6.651 1.00 0.00 C ATOM 1408 O LEU A 93 -11.058 -5.348 6.347 1.00 0.00 O ATOM 1409 CB LEU A 93 -8.216 -6.548 5.082 1.00 0.00 C ATOM 1410 CG LEU A 93 -8.398 -5.383 4.087 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -8.461 -5.923 2.657 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -9.668 -4.577 4.392 1.00 0.00 C ATOM 0 H LEU A 93 -9.996 -7.231 3.545 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.404 -8.030 6.162 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.596 -6.214 5.914 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.678 -7.358 4.589 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.541 -4.718 4.191 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -8.590 -5.094 1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.536 -6.451 2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.303 -6.609 2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.765 -3.764 3.672 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.538 -5.229 4.322 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.604 -4.164 5.399 1.00 0.00 H new ATOM 1424 N ASP A 94 -9.683 -6.143 7.863 1.00 0.00 N ATOM 1425 CA ASP A 94 -10.210 -5.223 8.912 1.00 0.00 C ATOM 1426 C ASP A 94 -9.129 -4.207 9.297 1.00 0.00 C ATOM 1427 O ASP A 94 -7.951 -4.500 9.248 1.00 0.00 O ATOM 1428 CB ASP A 94 -10.577 -6.126 10.094 1.00 0.00 C ATOM 1429 CG ASP A 94 -9.320 -6.799 10.645 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -8.546 -6.121 11.299 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -9.154 -7.984 10.405 1.00 0.00 O ATOM 0 H ASP A 94 -8.942 -6.770 8.175 1.00 0.00 H new ATOM 0 HA ASP A 94 -11.074 -4.650 8.575 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -11.058 -5.538 10.876 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -11.295 -6.882 9.776 1.00 0.00 H new ATOM 1436 N THR A 95 -9.508 -3.023 9.681 1.00 0.00 N ATOM 1437 CA THR A 95 -8.485 -2.008 10.067 1.00 0.00 C ATOM 1438 C THR A 95 -9.164 -0.690 10.430 1.00 0.00 C ATOM 1439 O THR A 95 -10.369 -0.554 10.348 1.00 0.00 O ATOM 1440 CB THR A 95 -7.600 -1.832 8.827 1.00 0.00 C ATOM 1441 OG1 THR A 95 -6.684 -0.766 9.040 1.00 0.00 O ATOM 1442 CG2 THR A 95 -8.468 -1.527 7.603 1.00 0.00 C ATOM 0 H THR A 95 -10.477 -2.712 9.745 1.00 0.00 H new ATOM 0 HA THR A 95 -7.905 -2.320 10.936 1.00 0.00 H new ATOM 0 HB THR A 95 -7.047 -2.755 8.651 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.772 -1.078 8.863 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.831 -1.404 6.727 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.161 -2.351 7.434 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.030 -0.609 7.775 1.00 0.00 H new ATOM 1450 N ARG A 96 -8.398 0.288 10.816 1.00 0.00 N ATOM 1451 CA ARG A 96 -8.995 1.603 11.166 1.00 0.00 C ATOM 1452 C ARG A 96 -9.321 2.364 9.882 1.00 0.00 C ATOM 1453 O ARG A 96 -9.796 3.481 9.910 1.00 0.00 O ATOM 1454 CB ARG A 96 -7.909 2.328 11.958 1.00 0.00 C ATOM 1455 CG ARG A 96 -7.379 1.404 13.057 1.00 0.00 C ATOM 1456 CD ARG A 96 -8.535 0.973 13.960 1.00 0.00 C ATOM 1457 NE ARG A 96 -9.145 2.248 14.425 1.00 0.00 N ATOM 1458 CZ ARG A 96 -10.436 2.413 14.369 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -11.200 1.890 15.287 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -10.964 3.106 13.397 1.00 0.00 N ATOM 0 H ARG A 96 -7.383 0.234 10.904 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.918 1.513 11.738 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.097 2.625 11.295 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -8.312 3.240 12.398 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -6.904 0.529 12.614 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -6.617 1.918 13.643 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -9.257 0.364 13.416 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -8.180 0.374 14.799 1.00 0.00 H new ATOM 0 HE ARG A 96 -8.552 2.994 14.788 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -10.787 1.352 16.049 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -12.211 2.019 15.244 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -10.366 3.518 12.681 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -11.975 3.235 13.353 1.00 0.00 H new ATOM 1474 N TYR A 97 -9.049 1.765 8.753 1.00 0.00 N ATOM 1475 CA TYR A 97 -9.319 2.445 7.456 1.00 0.00 C ATOM 1476 C TYR A 97 -10.752 2.177 6.977 1.00 0.00 C ATOM 1477 O TYR A 97 -11.376 3.029 6.375 1.00 0.00 O ATOM 1478 CB TYR A 97 -8.293 1.836 6.507 1.00 0.00 C ATOM 1479 CG TYR A 97 -6.965 2.525 6.719 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -6.387 2.554 7.997 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -6.311 3.135 5.645 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -5.157 3.190 8.196 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -5.081 3.771 5.846 1.00 0.00 C ATOM 1484 CZ TYR A 97 -4.504 3.798 7.120 1.00 0.00 C ATOM 1485 OH TYR A 97 -3.290 4.425 7.314 1.00 0.00 O ATOM 0 H TYR A 97 -8.650 0.830 8.675 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.235 3.530 7.523 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -8.197 0.766 6.691 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.618 1.953 5.473 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.892 2.085 8.828 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.755 3.115 4.661 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -4.712 3.211 9.180 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.576 4.242 5.016 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.567 3.844 6.998 1.00 0.00 H new ATOM 1495 N SER A 98 -11.273 1.001 7.238 1.00 0.00 N ATOM 1496 CA SER A 98 -12.661 0.655 6.813 1.00 0.00 C ATOM 1497 C SER A 98 -12.687 0.285 5.334 1.00 0.00 C ATOM 1498 O SER A 98 -13.381 0.903 4.553 1.00 0.00 O ATOM 1499 CB SER A 98 -13.519 1.896 7.078 1.00 0.00 C ATOM 1500 OG SER A 98 -13.028 2.573 8.228 1.00 0.00 O ATOM 0 H SER A 98 -10.784 0.257 7.736 1.00 0.00 H new ATOM 0 HA SER A 98 -13.041 -0.205 7.364 1.00 0.00 H new ATOM 0 HB2 SER A 98 -13.495 2.560 6.214 1.00 0.00 H new ATOM 0 HB3 SER A 98 -14.559 1.607 7.229 1.00 0.00 H new ATOM 0 HG SER A 98 -13.575 3.368 8.398 1.00 0.00 H new ATOM 1506 N ASN A 99 -11.950 -0.734 4.955 1.00 0.00 N ATOM 1507 CA ASN A 99 -11.938 -1.181 3.528 1.00 0.00 C ATOM 1508 C ASN A 99 -11.432 -0.072 2.606 1.00 0.00 C ATOM 1509 O ASN A 99 -10.406 -0.204 1.969 1.00 0.00 O ATOM 1510 CB ASN A 99 -13.396 -1.508 3.237 1.00 0.00 C ATOM 1511 CG ASN A 99 -13.675 -2.938 3.672 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -14.213 -3.728 2.921 1.00 0.00 O ATOM 1513 ND2 ASN A 99 -13.326 -3.299 4.870 1.00 0.00 N ATOM 0 H ASN A 99 -11.353 -1.277 5.579 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.274 -2.029 3.361 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -14.051 -0.818 3.769 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -13.604 -1.390 2.174 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -13.503 -4.252 5.187 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -12.875 -2.629 5.493 1.00 0.00 H new ATOM 1520 N ILE A 100 -12.151 1.013 2.549 1.00 0.00 N ATOM 1521 CA ILE A 100 -11.753 2.176 1.693 1.00 0.00 C ATOM 1522 C ILE A 100 -10.975 1.683 0.427 1.00 0.00 C ATOM 1523 O ILE A 100 -11.419 0.720 -0.166 1.00 0.00 O ATOM 1524 CB ILE A 100 -11.002 3.104 2.674 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -10.141 2.301 3.667 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -12.046 3.879 3.481 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -8.961 1.638 2.957 1.00 0.00 C ATOM 0 H ILE A 100 -13.017 1.150 3.069 1.00 0.00 H new ATOM 0 HA ILE A 100 -12.571 2.736 1.239 1.00 0.00 H new ATOM 0 HB ILE A 100 -10.350 3.762 2.099 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.773 2.962 4.452 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -10.753 1.540 4.152 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -11.543 4.544 4.183 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -12.665 4.468 2.804 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -12.674 3.178 4.031 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.369 1.077 3.681 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -9.333 0.960 2.189 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -8.338 2.403 2.494 1.00 0.00 H new ATOM 1539 N PRO A 101 -9.892 2.319 -0.018 1.00 0.00 N ATOM 1540 CA PRO A 101 -9.228 1.830 -1.264 1.00 0.00 C ATOM 1541 C PRO A 101 -8.575 0.472 -1.122 1.00 0.00 C ATOM 1542 O PRO A 101 -7.369 0.375 -1.028 1.00 0.00 O ATOM 1543 CB PRO A 101 -8.165 2.857 -1.552 1.00 0.00 C ATOM 1544 CG PRO A 101 -7.885 3.504 -0.243 1.00 0.00 C ATOM 1545 CD PRO A 101 -9.175 3.486 0.522 1.00 0.00 C ATOM 0 HA PRO A 101 -9.970 1.710 -2.053 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.268 2.392 -1.961 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -8.510 3.586 -2.286 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.106 2.967 0.297 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.530 4.525 -0.382 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.002 3.388 1.594 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -9.740 4.406 0.373 1.00 0.00 H new ATOM 1553 N LEU A 102 -9.330 -0.581 -1.159 1.00 0.00 N ATOM 1554 CA LEU A 102 -8.688 -1.909 -1.069 1.00 0.00 C ATOM 1555 C LEU A 102 -9.185 -2.815 -2.187 1.00 0.00 C ATOM 1556 O LEU A 102 -10.370 -3.007 -2.365 1.00 0.00 O ATOM 1557 CB LEU A 102 -9.049 -2.448 0.314 1.00 0.00 C ATOM 1558 CG LEU A 102 -7.818 -2.404 1.235 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -6.986 -1.151 0.966 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -8.281 -2.359 2.683 1.00 0.00 C ATOM 0 H LEU A 102 -10.346 -0.581 -1.246 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.606 -1.855 -1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.857 -1.856 0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.414 -3.472 0.230 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.213 -3.290 1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.120 -1.140 1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.650 -1.153 -0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.594 -0.265 1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.413 -2.328 3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.890 -1.469 2.843 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.872 -3.248 2.904 1.00 0.00 H new ATOM 1572 N LEU A 103 -8.262 -3.361 -2.939 1.00 0.00 N ATOM 1573 CA LEU A 103 -8.608 -4.264 -4.087 1.00 0.00 C ATOM 1574 C LEU A 103 -7.408 -4.322 -5.049 1.00 0.00 C ATOM 1575 O LEU A 103 -6.274 -4.355 -4.620 1.00 0.00 O ATOM 1576 CB LEU A 103 -9.834 -3.641 -4.777 1.00 0.00 C ATOM 1577 CG LEU A 103 -9.625 -2.137 -4.964 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -9.539 -1.816 -6.456 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -10.805 -1.381 -4.351 1.00 0.00 C ATOM 0 H LEU A 103 -7.261 -3.217 -2.805 1.00 0.00 H new ATOM 0 HA LEU A 103 -8.832 -5.280 -3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -9.997 -4.116 -5.744 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -10.728 -3.820 -4.179 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.701 -1.834 -4.472 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -9.390 -0.745 -6.590 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -8.701 -2.357 -6.897 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -10.464 -2.118 -6.947 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -10.658 -0.309 -4.483 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -11.728 -1.685 -4.845 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.871 -1.610 -3.287 1.00 0.00 H new ATOM 1591 N THR A 104 -7.629 -4.328 -6.338 1.00 0.00 N ATOM 1592 CA THR A 104 -6.474 -4.365 -7.277 1.00 0.00 C ATOM 1593 C THR A 104 -6.122 -2.936 -7.698 1.00 0.00 C ATOM 1594 O THR A 104 -6.780 -1.991 -7.308 1.00 0.00 O ATOM 1595 CB THR A 104 -6.924 -5.200 -8.484 1.00 0.00 C ATOM 1596 OG1 THR A 104 -6.013 -5.001 -9.556 1.00 0.00 O ATOM 1597 CG2 THR A 104 -8.326 -4.777 -8.923 1.00 0.00 C ATOM 0 H THR A 104 -8.550 -4.309 -6.776 1.00 0.00 H new ATOM 0 HA THR A 104 -5.586 -4.804 -6.821 1.00 0.00 H new ATOM 0 HB THR A 104 -6.943 -6.253 -8.204 1.00 0.00 H new ATOM 0 HG1 THR A 104 -6.295 -5.534 -10.329 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.635 -5.376 -9.780 1.00 0.00 H new ATOM 0 HG22 THR A 104 -9.026 -4.930 -8.102 1.00 0.00 H new ATOM 0 HG23 THR A 104 -8.318 -3.723 -9.201 1.00 0.00 H new ATOM 1605 N LYS A 105 -5.095 -2.758 -8.482 1.00 0.00 N ATOM 1606 CA LYS A 105 -4.731 -1.373 -8.900 1.00 0.00 C ATOM 1607 C LYS A 105 -4.761 -1.239 -10.425 1.00 0.00 C ATOM 1608 O LYS A 105 -3.845 -1.651 -11.111 1.00 0.00 O ATOM 1609 CB LYS A 105 -3.315 -1.161 -8.364 1.00 0.00 C ATOM 1610 CG LYS A 105 -3.325 -1.277 -6.838 1.00 0.00 C ATOM 1611 CD LYS A 105 -3.290 0.120 -6.216 1.00 0.00 C ATOM 1612 CE LYS A 105 -2.518 0.070 -4.895 1.00 0.00 C ATOM 1613 NZ LYS A 105 -1.760 1.351 -4.842 1.00 0.00 N ATOM 0 H LYS A 105 -4.498 -3.500 -8.848 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.431 -0.631 -8.514 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -2.638 -1.901 -8.791 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -2.945 -0.180 -8.663 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -4.217 -1.810 -6.510 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -2.466 -1.857 -6.502 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -2.816 0.823 -6.901 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -4.305 0.479 -6.043 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -3.195 -0.023 -4.046 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -1.846 -0.788 -4.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -1.205 1.390 -3.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -1.119 1.409 -5.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -2.426 2.150 -4.867 1.00 0.00 H new ATOM 1627 N PRO A 106 -5.825 -0.647 -10.894 1.00 0.00 N ATOM 1628 CA PRO A 106 -6.019 -0.412 -12.336 1.00 0.00 C ATOM 1629 C PRO A 106 -5.490 0.976 -12.720 1.00 0.00 C ATOM 1630 O PRO A 106 -5.345 1.299 -13.882 1.00 0.00 O ATOM 1631 CB PRO A 106 -7.539 -0.479 -12.478 1.00 0.00 C ATOM 1632 CG PRO A 106 -8.095 -0.126 -11.123 1.00 0.00 C ATOM 1633 CD PRO A 106 -6.958 -0.147 -10.126 1.00 0.00 C ATOM 0 HA PRO A 106 -5.495 -1.121 -12.978 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -7.892 0.218 -13.239 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -7.859 -1.475 -12.785 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -8.561 0.859 -11.148 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -8.869 -0.837 -10.833 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -6.761 0.847 -9.725 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -7.182 -0.794 -9.278 1.00 0.00 H new ATOM 1641 N PHE A 107 -5.204 1.796 -11.739 1.00 0.00 N ATOM 1642 CA PHE A 107 -4.687 3.175 -12.009 1.00 0.00 C ATOM 1643 C PHE A 107 -5.827 4.098 -12.450 1.00 0.00 C ATOM 1644 O PHE A 107 -5.662 4.947 -13.304 1.00 0.00 O ATOM 1645 CB PHE A 107 -3.643 3.032 -13.116 1.00 0.00 C ATOM 1646 CG PHE A 107 -2.551 4.051 -12.894 1.00 0.00 C ATOM 1647 CD1 PHE A 107 -2.881 5.354 -12.502 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -1.211 3.691 -13.074 1.00 0.00 C ATOM 1649 CE1 PHE A 107 -1.868 6.299 -12.290 1.00 0.00 C ATOM 1650 CE2 PHE A 107 -0.199 4.636 -12.862 1.00 0.00 C ATOM 1651 CZ PHE A 107 -0.528 5.939 -12.471 1.00 0.00 C ATOM 0 H PHE A 107 -5.308 1.566 -10.751 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.250 3.618 -11.114 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.225 2.025 -13.112 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.105 3.182 -14.092 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.916 5.631 -12.363 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -0.957 2.686 -13.376 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.121 7.304 -11.987 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.836 4.359 -13.000 1.00 0.00 H new ATOM 0 HZ PHE A 107 0.253 6.667 -12.309 1.00 0.00 H new ATOM 1661 N LEU A 108 -6.980 3.941 -11.857 1.00 0.00 N ATOM 1662 CA LEU A 108 -8.143 4.808 -12.211 1.00 0.00 C ATOM 1663 C LEU A 108 -9.146 4.824 -11.050 1.00 0.00 C ATOM 1664 O LEU A 108 -8.992 5.566 -10.098 1.00 0.00 O ATOM 1665 CB LEU A 108 -8.776 4.202 -13.477 1.00 0.00 C ATOM 1666 CG LEU A 108 -8.582 2.679 -13.518 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -9.917 2.003 -13.841 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -7.562 2.337 -14.606 1.00 0.00 C ATOM 0 H LEU A 108 -7.168 3.244 -11.137 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.837 5.838 -12.394 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -9.840 4.437 -13.503 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -8.328 4.653 -14.363 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.224 2.326 -12.551 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.780 0.922 -13.870 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -10.648 2.255 -13.073 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -10.275 2.350 -14.810 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -7.417 1.257 -14.643 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.928 2.687 -15.571 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.613 2.823 -14.380 1.00 0.00 H new ATOM 1680 N ASP A 109 -10.164 4.008 -11.108 1.00 0.00 N ATOM 1681 CA ASP A 109 -11.155 3.985 -9.995 1.00 0.00 C ATOM 1682 C ASP A 109 -10.422 3.846 -8.657 1.00 0.00 C ATOM 1683 O ASP A 109 -10.920 4.233 -7.619 1.00 0.00 O ATOM 1684 CB ASP A 109 -12.027 2.758 -10.265 1.00 0.00 C ATOM 1685 CG ASP A 109 -12.930 2.497 -9.059 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -13.781 3.329 -8.789 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -12.756 1.468 -8.425 1.00 0.00 O ATOM 0 H ASP A 109 -10.351 3.360 -11.873 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.750 4.897 -9.943 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -12.632 2.918 -11.157 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.399 1.888 -10.457 1.00 0.00 H new ATOM 1692 N SER A 110 -9.237 3.301 -8.682 1.00 0.00 N ATOM 1693 CA SER A 110 -8.459 3.138 -7.421 1.00 0.00 C ATOM 1694 C SER A 110 -7.967 4.499 -6.925 1.00 0.00 C ATOM 1695 O SER A 110 -8.266 4.908 -5.821 1.00 0.00 O ATOM 1696 CB SER A 110 -7.278 2.256 -7.804 1.00 0.00 C ATOM 1697 OG SER A 110 -7.625 0.891 -7.605 1.00 0.00 O ATOM 0 H SER A 110 -8.772 2.960 -9.524 1.00 0.00 H new ATOM 0 HA SER A 110 -9.055 2.703 -6.619 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.006 2.426 -8.846 1.00 0.00 H new ATOM 0 HB3 SER A 110 -6.407 2.513 -7.201 1.00 0.00 H new ATOM 0 HG SER A 110 -6.859 0.411 -7.227 1.00 0.00 H new ATOM 1703 N GLU A 111 -7.217 5.205 -7.734 1.00 0.00 N ATOM 1704 CA GLU A 111 -6.713 6.543 -7.305 1.00 0.00 C ATOM 1705 C GLU A 111 -7.830 7.298 -6.584 1.00 0.00 C ATOM 1706 O GLU A 111 -7.595 8.062 -5.667 1.00 0.00 O ATOM 1707 CB GLU A 111 -6.324 7.262 -8.600 1.00 0.00 C ATOM 1708 CG GLU A 111 -5.164 8.224 -8.325 1.00 0.00 C ATOM 1709 CD GLU A 111 -3.982 7.449 -7.735 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -3.516 6.531 -8.389 1.00 0.00 O ATOM 1711 OE2 GLU A 111 -3.561 7.789 -6.641 1.00 0.00 O ATOM 0 H GLU A 111 -6.933 4.913 -8.669 1.00 0.00 H new ATOM 0 HA GLU A 111 -5.869 6.474 -6.619 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -6.035 6.535 -9.359 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -7.179 7.811 -8.994 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -4.863 8.719 -9.248 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.482 9.004 -7.633 1.00 0.00 H new ATOM 1718 N LEU A 112 -9.048 7.066 -6.985 1.00 0.00 N ATOM 1719 CA LEU A 112 -10.195 7.749 -6.318 1.00 0.00 C ATOM 1720 C LEU A 112 -10.346 7.191 -4.905 1.00 0.00 C ATOM 1721 O LEU A 112 -10.073 7.860 -3.928 1.00 0.00 O ATOM 1722 CB LEU A 112 -11.439 7.424 -7.163 1.00 0.00 C ATOM 1723 CG LEU A 112 -11.077 7.317 -8.649 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -12.342 7.444 -9.495 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -10.101 8.434 -9.027 1.00 0.00 C ATOM 0 H LEU A 112 -9.301 6.434 -7.745 1.00 0.00 H new ATOM 0 HA LEU A 112 -10.050 8.827 -6.244 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -11.880 6.487 -6.823 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -12.192 8.200 -7.023 1.00 0.00 H new ATOM 0 HG LEU A 112 -10.609 6.350 -8.833 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -12.083 7.368 -10.551 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -13.036 6.646 -9.233 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -12.811 8.409 -9.305 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.847 8.353 -10.084 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.565 9.402 -8.838 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.195 8.343 -8.428 1.00 0.00 H new ATOM 1737 N GLU A 113 -10.761 5.961 -4.787 1.00 0.00 N ATOM 1738 CA GLU A 113 -10.901 5.366 -3.420 1.00 0.00 C ATOM 1739 C GLU A 113 -9.573 5.510 -2.683 1.00 0.00 C ATOM 1740 O GLU A 113 -9.527 5.709 -1.483 1.00 0.00 O ATOM 1741 CB GLU A 113 -11.224 3.852 -3.563 1.00 0.00 C ATOM 1742 CG GLU A 113 -11.172 3.381 -5.020 1.00 0.00 C ATOM 1743 CD GLU A 113 -11.228 1.851 -5.066 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -11.966 1.281 -4.278 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -10.533 1.277 -5.887 1.00 0.00 O ATOM 0 H GLU A 113 -11.007 5.346 -5.563 1.00 0.00 H new ATOM 0 HA GLU A 113 -11.695 5.872 -2.872 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -10.514 3.274 -2.971 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.215 3.654 -3.155 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -12.007 3.803 -5.579 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -10.258 3.736 -5.496 1.00 0.00 H new ATOM 1752 N ALA A 114 -8.488 5.366 -3.396 1.00 0.00 N ATOM 1753 CA ALA A 114 -7.144 5.440 -2.747 1.00 0.00 C ATOM 1754 C ALA A 114 -6.996 6.698 -1.896 1.00 0.00 C ATOM 1755 O ALA A 114 -6.380 6.672 -0.850 1.00 0.00 O ATOM 1756 CB ALA A 114 -6.138 5.433 -3.892 1.00 0.00 C ATOM 0 H ALA A 114 -8.473 5.200 -4.402 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.989 4.604 -2.065 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.127 5.485 -3.488 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.251 4.516 -4.470 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -6.316 6.293 -4.538 1.00 0.00 H new ATOM 1762 N VAL A 115 -7.541 7.800 -2.319 1.00 0.00 N ATOM 1763 CA VAL A 115 -7.396 9.033 -1.496 1.00 0.00 C ATOM 1764 C VAL A 115 -8.656 9.267 -0.656 1.00 0.00 C ATOM 1765 O VAL A 115 -8.601 9.837 0.413 1.00 0.00 O ATOM 1766 CB VAL A 115 -7.187 10.165 -2.504 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -6.715 11.421 -1.769 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -6.122 9.749 -3.523 1.00 0.00 C ATOM 0 H VAL A 115 -8.072 7.903 -3.184 1.00 0.00 H new ATOM 0 HA VAL A 115 -6.566 8.964 -0.793 1.00 0.00 H new ATOM 0 HB VAL A 115 -8.126 10.371 -3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -6.566 12.228 -2.486 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -7.467 11.719 -1.038 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -5.775 11.212 -1.258 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -5.972 10.554 -4.242 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -5.184 9.544 -3.006 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -6.451 8.852 -4.047 1.00 0.00 H new ATOM 1778 N LEU A 116 -9.785 8.826 -1.131 1.00 0.00 N ATOM 1779 CA LEU A 116 -11.059 9.015 -0.370 1.00 0.00 C ATOM 1780 C LEU A 116 -10.938 8.468 1.057 1.00 0.00 C ATOM 1781 O LEU A 116 -11.668 8.852 1.948 1.00 0.00 O ATOM 1782 CB LEU A 116 -12.081 8.204 -1.163 1.00 0.00 C ATOM 1783 CG LEU A 116 -12.642 9.023 -2.335 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -13.950 9.683 -1.905 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -11.649 10.110 -2.783 1.00 0.00 C ATOM 0 H LEU A 116 -9.885 8.338 -2.021 1.00 0.00 H new ATOM 0 HA LEU A 116 -11.330 10.066 -0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -11.615 7.294 -1.541 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -12.895 7.896 -0.507 1.00 0.00 H new ATOM 0 HG LEU A 116 -12.813 8.349 -3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -14.353 10.266 -2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -14.668 8.915 -1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -13.764 10.340 -1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -12.075 10.672 -3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -11.450 10.786 -1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -10.717 9.643 -3.101 1.00 0.00 H new ATOM 1797 N VAL A 117 -10.032 7.566 1.269 1.00 0.00 N ATOM 1798 CA VAL A 117 -9.858 6.971 2.625 1.00 0.00 C ATOM 1799 C VAL A 117 -9.682 8.053 3.697 1.00 0.00 C ATOM 1800 O VAL A 117 -10.293 7.999 4.746 1.00 0.00 O ATOM 1801 CB VAL A 117 -8.589 6.125 2.518 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -7.410 6.997 2.078 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -8.275 5.506 3.879 1.00 0.00 C ATOM 0 H VAL A 117 -9.395 7.208 0.557 1.00 0.00 H new ATOM 0 HA VAL A 117 -10.731 6.390 2.921 1.00 0.00 H new ATOM 0 HB VAL A 117 -8.749 5.339 1.780 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -6.512 6.384 2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -7.627 7.439 1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -7.250 7.789 2.809 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -7.370 4.902 3.804 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.123 6.298 4.613 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -9.107 4.875 4.193 1.00 0.00 H new ATOM 1813 N GLN A 118 -8.839 9.018 3.458 1.00 0.00 N ATOM 1814 CA GLN A 118 -8.610 10.071 4.478 1.00 0.00 C ATOM 1815 C GLN A 118 -9.169 11.408 4.023 1.00 0.00 C ATOM 1816 O GLN A 118 -8.444 12.358 3.802 1.00 0.00 O ATOM 1817 CB GLN A 118 -7.090 10.118 4.631 1.00 0.00 C ATOM 1818 CG GLN A 118 -6.615 8.814 5.283 1.00 0.00 C ATOM 1819 CD GLN A 118 -7.195 8.702 6.695 1.00 0.00 C ATOM 1820 OE1 GLN A 118 -7.076 7.674 7.331 1.00 0.00 O ATOM 1821 NE2 GLN A 118 -7.822 9.722 7.216 1.00 0.00 N ATOM 0 H GLN A 118 -8.299 9.121 2.599 1.00 0.00 H new ATOM 0 HA GLN A 118 -9.112 9.857 5.421 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -6.617 10.246 3.657 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -6.799 10.973 5.242 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -6.928 7.960 4.682 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -5.526 8.792 5.324 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -7.922 10.586 6.683 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -8.211 9.655 8.156 1.00 0.00 H new ATOM 1830 N ILE A 119 -10.460 11.487 3.883 1.00 0.00 N ATOM 1831 CA ILE A 119 -11.070 12.771 3.440 1.00 0.00 C ATOM 1832 C ILE A 119 -12.591 12.756 3.651 1.00 0.00 C ATOM 1833 O ILE A 119 -13.186 13.763 3.978 1.00 0.00 O ATOM 1834 CB ILE A 119 -10.683 12.903 1.949 1.00 0.00 C ATOM 1835 CG1 ILE A 119 -11.861 13.441 1.117 1.00 0.00 C ATOM 1836 CG2 ILE A 119 -10.245 11.550 1.379 1.00 0.00 C ATOM 1837 CD1 ILE A 119 -12.801 12.286 0.741 1.00 0.00 C ATOM 0 H ILE A 119 -11.116 10.725 4.054 1.00 0.00 H new ATOM 0 HA ILE A 119 -10.711 13.625 4.015 1.00 0.00 H new ATOM 0 HB ILE A 119 -9.853 13.607 1.890 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -12.405 14.195 1.685 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -11.489 13.928 0.215 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -9.977 11.667 0.329 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -9.382 11.183 1.935 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -11.064 10.836 1.467 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -13.633 12.671 0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -12.254 11.547 0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -13.184 11.819 1.648 1.00 0.00 H new ATOM 1849 N SER A 120 -13.223 11.631 3.467 1.00 0.00 N ATOM 1850 CA SER A 120 -14.705 11.559 3.650 1.00 0.00 C ATOM 1851 C SER A 120 -15.224 10.256 3.052 1.00 0.00 C ATOM 1852 O SER A 120 -15.937 9.504 3.687 1.00 0.00 O ATOM 1853 CB SER A 120 -15.278 12.750 2.877 1.00 0.00 C ATOM 1854 OG SER A 120 -15.985 13.598 3.772 1.00 0.00 O ATOM 0 H SER A 120 -12.778 10.754 3.197 1.00 0.00 H new ATOM 0 HA SER A 120 -14.990 11.588 4.702 1.00 0.00 H new ATOM 0 HB2 SER A 120 -14.474 13.304 2.393 1.00 0.00 H new ATOM 0 HB3 SER A 120 -15.944 12.399 2.088 1.00 0.00 H new ATOM 0 HG SER A 120 -15.346 14.102 4.318 1.00 0.00 H new ATOM 1860 N LYS A 121 -14.861 9.987 1.826 1.00 0.00 N ATOM 1861 CA LYS A 121 -15.312 8.736 1.163 1.00 0.00 C ATOM 1862 C LYS A 121 -16.814 8.789 0.905 1.00 0.00 C ATOM 1863 O LYS A 121 -17.493 9.691 1.347 1.00 0.00 O ATOM 1864 CB LYS A 121 -14.944 7.629 2.145 1.00 0.00 C ATOM 1865 CG LYS A 121 -14.865 6.283 1.415 1.00 0.00 C ATOM 1866 CD LYS A 121 -16.018 5.385 1.878 1.00 0.00 C ATOM 1867 CE LYS A 121 -16.085 4.132 1.000 1.00 0.00 C ATOM 1868 NZ LYS A 121 -17.309 3.410 1.449 1.00 0.00 N ATOM 0 H LYS A 121 -14.267 10.587 1.254 1.00 0.00 H new ATOM 0 HA LYS A 121 -14.847 8.577 0.190 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -13.987 7.853 2.616 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -15.686 7.577 2.941 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -14.920 6.437 0.337 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -13.909 5.801 1.620 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -15.874 5.102 2.921 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -16.960 5.930 1.822 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -16.146 4.393 -0.056 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -15.195 3.515 1.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -17.422 2.539 0.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -17.219 3.168 2.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -18.141 4.019 1.312 1.00 0.00 H new ATOM 1882 N GLU A 122 -17.317 7.844 0.153 1.00 0.00 N ATOM 1883 CA GLU A 122 -18.771 7.813 -0.194 1.00 0.00 C ATOM 1884 C GLU A 122 -19.208 9.154 -0.781 1.00 0.00 C ATOM 1885 O GLU A 122 -20.384 9.442 -0.877 1.00 0.00 O ATOM 1886 CB GLU A 122 -19.514 7.477 1.111 1.00 0.00 C ATOM 1887 CG GLU A 122 -19.682 8.718 1.996 1.00 0.00 C ATOM 1888 CD GLU A 122 -21.063 8.689 2.656 1.00 0.00 C ATOM 1889 OE1 GLU A 122 -21.559 7.602 2.901 1.00 0.00 O ATOM 1890 OE2 GLU A 122 -21.601 9.756 2.904 1.00 0.00 O ATOM 0 H GLU A 122 -16.772 7.078 -0.243 1.00 0.00 H new ATOM 0 HA GLU A 122 -18.994 7.067 -0.957 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -20.494 7.060 0.877 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -18.964 6.711 1.657 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -18.903 8.743 2.758 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -19.572 9.622 1.398 1.00 0.00 H new ATOM 1897 N VAL A 123 -18.256 9.956 -1.191 1.00 0.00 N ATOM 1898 CA VAL A 123 -18.559 11.281 -1.796 1.00 0.00 C ATOM 1899 C VAL A 123 -19.900 11.838 -1.309 1.00 0.00 C ATOM 1900 O VAL A 123 -20.856 11.770 -2.063 1.00 0.00 O ATOM 1901 CB VAL A 123 -18.583 11.026 -3.297 1.00 0.00 C ATOM 1902 CG1 VAL A 123 -18.690 12.357 -4.043 1.00 0.00 C ATOM 1903 CG2 VAL A 123 -17.293 10.313 -3.712 1.00 0.00 C ATOM 0 H VAL A 123 -17.261 9.739 -1.128 1.00 0.00 H new ATOM 0 HA VAL A 123 -17.818 12.029 -1.515 1.00 0.00 H new ATOM 0 HB VAL A 123 -19.442 10.403 -3.544 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -18.707 12.172 -5.117 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -19.607 12.867 -3.748 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -17.832 12.982 -3.796 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -17.308 10.129 -4.786 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -16.435 10.938 -3.463 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -17.216 9.363 -3.183 1.00 0.00 H new TER 1913 VAL A 123