USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 862 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -34:sc= 0.0279 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0.025 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 30:sc= -0.158 USER MOD Single : A 27 HIS : no HE2:sc= -0.167 X(o=-0.17,f=-0.4) USER MOD Single : A 30 THR OG1 : rot 3:sc= 0.481 USER MOD Single : A 32 LYS NZ :NH3+ -163:sc= -0.189 (180deg=-0.593) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.506 USER MOD Single : A 39 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.172) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -1.11 X(o=-1.1,f=-0.77) USER MOD Single : A 71 SER OG : rot -138:sc= 0.658 USER MOD Single : A 74 SER OG : rot 135:sc= -0.0827 USER MOD Single : A 80 THR OG1 : rot -60:sc= -2.33 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -143:sc= -0.0377 (180deg=-0.487) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ -168:sc= -0.0859 (180deg=-0.438) USER MOD Single : A 115 HIS : no HD1:sc= -1.01 K(o=-1,f=-0.038) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -0.789 0.652 14.251 1.00 0.00 N ATOM 21 CA LYS A 2 -0.065 -0.195 13.311 1.00 0.00 C ATOM 22 C LYS A 2 -1.008 -0.773 12.257 1.00 0.00 C ATOM 23 O LYS A 2 -1.222 -1.983 12.198 1.00 0.00 O ATOM 24 CB LYS A 2 0.644 -1.326 14.053 1.00 0.00 C ATOM 25 CG LYS A 2 1.866 -0.869 14.835 1.00 0.00 C ATOM 26 CD LYS A 2 3.136 -0.996 14.007 1.00 0.00 C ATOM 27 CE LYS A 2 4.288 -1.549 14.830 1.00 0.00 C ATOM 28 NZ LYS A 2 5.316 -0.510 15.115 1.00 0.00 N ATOM 0 HA LYS A 2 0.679 0.421 12.806 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -0.060 -1.797 14.739 1.00 0.00 H new ATOM 0 HB3 LYS A 2 0.947 -2.087 13.334 1.00 0.00 H new ATOM 0 HG2 LYS A 2 1.734 0.168 15.145 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.961 -1.464 15.744 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.951 -1.649 13.154 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.410 -0.020 13.607 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.905 -1.948 15.769 1.00 0.00 H new ATOM 0 HE3 LYS A 2 4.750 -2.380 14.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 6.084 -0.927 15.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 5.701 -0.147 14.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.882 0.271 15.647 1.00 0.00 H new ATOM 42 N ARG A 3 -1.569 0.100 11.426 1.00 0.00 N ATOM 43 CA ARG A 3 -2.487 -0.328 10.377 1.00 0.00 C ATOM 44 C ARG A 3 -1.932 0.006 8.995 1.00 0.00 C ATOM 45 O ARG A 3 -1.323 1.056 8.801 1.00 0.00 O ATOM 46 CB ARG A 3 -3.853 0.322 10.578 1.00 0.00 C ATOM 47 CG ARG A 3 -3.846 1.822 10.395 1.00 0.00 C ATOM 48 CD ARG A 3 -3.610 2.550 11.711 1.00 0.00 C ATOM 49 NE ARG A 3 -4.649 3.539 11.984 1.00 0.00 N ATOM 50 CZ ARG A 3 -5.851 3.237 12.470 1.00 0.00 C ATOM 51 NH1 ARG A 3 -6.170 1.975 12.732 1.00 0.00 N ATOM 52 NH2 ARG A 3 -6.736 4.198 12.693 1.00 0.00 N ATOM 0 H ARG A 3 -1.404 1.106 11.459 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.600 -1.410 10.440 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -4.561 -0.117 9.875 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.212 0.089 11.580 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -3.069 2.098 9.682 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.797 2.141 9.969 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -3.576 1.826 12.525 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -2.638 3.043 11.683 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.442 4.519 11.791 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -5.493 1.232 12.561 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -7.092 1.749 13.104 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.496 5.169 12.492 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -7.657 3.967 13.065 1.00 0.00 H new ATOM 66 N VAL A 4 -2.138 -0.896 8.036 1.00 0.00 N ATOM 67 CA VAL A 4 -1.648 -0.687 6.677 1.00 0.00 C ATOM 68 C VAL A 4 -2.774 -0.841 5.657 1.00 0.00 C ATOM 69 O VAL A 4 -3.805 -1.448 5.944 1.00 0.00 O ATOM 70 CB VAL A 4 -0.508 -1.670 6.332 1.00 0.00 C ATOM 71 CG1 VAL A 4 0.068 -1.368 4.956 1.00 0.00 C ATOM 72 CG2 VAL A 4 0.585 -1.617 7.390 1.00 0.00 C ATOM 0 H VAL A 4 -2.638 -1.774 8.175 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.261 0.331 6.631 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.923 -2.678 6.315 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.869 -2.073 4.734 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.716 -1.462 4.205 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.464 -0.353 4.942 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.379 -2.317 7.128 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.993 -0.608 7.441 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.167 -1.889 8.359 1.00 0.00 H new ATOM 82 N LEU A 5 -2.570 -0.284 4.466 1.00 0.00 N ATOM 83 CA LEU A 5 -3.568 -0.358 3.406 1.00 0.00 C ATOM 84 C LEU A 5 -3.070 -1.206 2.243 1.00 0.00 C ATOM 85 O LEU A 5 -1.969 -0.996 1.735 1.00 0.00 O ATOM 86 CB LEU A 5 -3.923 1.043 2.907 1.00 0.00 C ATOM 87 CG LEU A 5 -5.090 1.095 1.922 1.00 0.00 C ATOM 88 CD1 LEU A 5 -6.353 0.554 2.573 1.00 0.00 C ATOM 89 CD2 LEU A 5 -5.307 2.517 1.419 1.00 0.00 C ATOM 0 H LEU A 5 -1.722 0.223 4.212 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.460 -0.827 3.821 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.163 1.670 3.766 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.044 1.477 2.431 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.848 0.468 1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.177 0.597 1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.191 -0.480 2.878 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.598 1.157 3.448 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.142 2.532 0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.528 3.171 2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.406 2.866 0.916 1.00 0.00 H new ATOM 101 N VAL A 6 -3.891 -2.163 1.825 1.00 0.00 N ATOM 102 CA VAL A 6 -3.533 -3.043 0.718 1.00 0.00 C ATOM 103 C VAL A 6 -4.468 -2.853 -0.473 1.00 0.00 C ATOM 104 O VAL A 6 -5.491 -3.529 -0.586 1.00 0.00 O ATOM 105 CB VAL A 6 -3.564 -4.521 1.143 1.00 0.00 C ATOM 106 CG1 VAL A 6 -3.020 -5.408 0.033 1.00 0.00 C ATOM 107 CG2 VAL A 6 -2.781 -4.720 2.431 1.00 0.00 C ATOM 0 H VAL A 6 -4.806 -2.349 2.234 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.519 -2.774 0.424 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.599 -4.807 1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.050 -6.450 0.352 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.629 -5.285 -0.862 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.991 -5.125 -0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.813 -5.771 2.718 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.745 -4.417 2.278 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.223 -4.115 3.223 1.00 0.00 H new ATOM 117 N VAL A 7 -4.106 -1.939 -1.366 1.00 0.00 N ATOM 118 CA VAL A 7 -4.912 -1.673 -2.550 1.00 0.00 C ATOM 119 C VAL A 7 -4.590 -2.672 -3.657 1.00 0.00 C ATOM 120 O VAL A 7 -3.560 -2.565 -4.322 1.00 0.00 O ATOM 121 CB VAL A 7 -4.689 -0.243 -3.079 1.00 0.00 C ATOM 122 CG1 VAL A 7 -5.704 0.094 -4.160 1.00 0.00 C ATOM 123 CG2 VAL A 7 -4.759 0.765 -1.941 1.00 0.00 C ATOM 0 H VAL A 7 -3.262 -1.371 -1.292 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.956 -1.777 -2.256 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.694 -0.192 -3.520 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.529 1.108 -4.520 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.601 -0.608 -4.988 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.711 0.024 -3.748 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.599 1.769 -2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.740 0.712 -1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.988 0.537 -1.205 1.00 0.00 H new ATOM 133 N ASP A 8 -5.474 -3.646 -3.844 1.00 0.00 N ATOM 134 CA ASP A 8 -5.279 -4.669 -4.864 1.00 0.00 C ATOM 135 C ASP A 8 -6.581 -4.940 -5.612 1.00 0.00 C ATOM 136 O ASP A 8 -7.655 -4.975 -5.012 1.00 0.00 O ATOM 137 CB ASP A 8 -4.756 -5.956 -4.221 1.00 0.00 C ATOM 138 CG ASP A 8 -4.376 -7.011 -5.241 1.00 0.00 C ATOM 139 OD1 ASP A 8 -5.118 -7.178 -6.230 1.00 0.00 O ATOM 140 OD2 ASP A 8 -3.331 -7.670 -5.052 1.00 0.00 O ATOM 0 H ASP A 8 -6.332 -3.748 -3.303 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.543 -4.308 -5.582 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.887 -5.722 -3.606 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.518 -6.360 -3.555 1.00 0.00 H new ATOM 145 N ASP A 9 -6.480 -5.130 -6.925 1.00 0.00 N ATOM 146 CA ASP A 9 -7.654 -5.395 -7.753 1.00 0.00 C ATOM 147 C ASP A 9 -7.963 -6.890 -7.825 1.00 0.00 C ATOM 148 O ASP A 9 -8.546 -7.366 -8.800 1.00 0.00 O ATOM 149 CB ASP A 9 -7.439 -4.833 -9.161 1.00 0.00 C ATOM 150 CG ASP A 9 -8.676 -4.953 -10.030 1.00 0.00 C ATOM 151 OD1 ASP A 9 -9.662 -4.233 -9.763 1.00 0.00 O ATOM 152 OD2 ASP A 9 -8.659 -5.765 -10.978 1.00 0.00 O ATOM 0 H ASP A 9 -5.599 -5.106 -7.438 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.509 -4.900 -7.292 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.149 -3.785 -9.090 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.612 -5.360 -9.637 1.00 0.00 H new ATOM 157 N GLU A 10 -7.576 -7.628 -6.789 1.00 0.00 N ATOM 158 CA GLU A 10 -7.818 -9.064 -6.740 1.00 0.00 C ATOM 159 C GLU A 10 -7.836 -9.561 -5.298 1.00 0.00 C ATOM 160 O GLU A 10 -7.741 -8.771 -4.358 1.00 0.00 O ATOM 161 CB GLU A 10 -6.746 -9.810 -7.536 1.00 0.00 C ATOM 162 CG GLU A 10 -7.268 -11.047 -8.250 1.00 0.00 C ATOM 163 CD GLU A 10 -6.424 -12.278 -7.981 1.00 0.00 C ATOM 164 OE1 GLU A 10 -5.349 -12.408 -8.602 1.00 0.00 O ATOM 165 OE2 GLU A 10 -6.839 -13.111 -7.148 1.00 0.00 O ATOM 0 H GLU A 10 -7.093 -7.254 -5.972 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.793 -9.260 -7.186 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.314 -9.132 -8.271 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.942 -10.103 -6.861 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.293 -11.238 -7.934 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.295 -10.858 -9.323 1.00 0.00 H new ATOM 217 N THR A 14 -4.370 -10.041 -0.463 1.00 0.00 N ATOM 218 CA THR A 14 -5.219 -9.833 0.707 1.00 0.00 C ATOM 219 C THR A 14 -5.512 -11.151 1.419 1.00 0.00 C ATOM 220 O THR A 14 -5.856 -11.164 2.601 1.00 0.00 O ATOM 221 CB THR A 14 -6.531 -9.160 0.294 1.00 0.00 C ATOM 222 OG1 THR A 14 -7.284 -10.006 -0.555 1.00 0.00 O ATOM 223 CG2 THR A 14 -6.328 -7.845 -0.428 1.00 0.00 C ATOM 0 HA THR A 14 -4.683 -9.184 1.400 1.00 0.00 H new ATOM 0 HB THR A 14 -7.061 -8.965 1.226 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.676 -10.525 -1.122 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.297 -7.422 -0.692 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.794 -7.152 0.222 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.746 -8.014 -1.334 1.00 0.00 H new ATOM 231 N SER A 15 -5.377 -12.258 0.695 1.00 0.00 N ATOM 232 CA SER A 15 -5.628 -13.578 1.263 1.00 0.00 C ATOM 233 C SER A 15 -4.534 -13.969 2.253 1.00 0.00 C ATOM 234 O SER A 15 -4.817 -14.497 3.328 1.00 0.00 O ATOM 235 CB SER A 15 -5.723 -14.625 0.151 1.00 0.00 C ATOM 236 OG SER A 15 -6.749 -15.566 0.419 1.00 0.00 O ATOM 0 H SER A 15 -5.095 -12.267 -0.285 1.00 0.00 H new ATOM 0 HA SER A 15 -6.576 -13.537 1.799 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.918 -14.131 -0.801 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.769 -15.142 0.052 1.00 0.00 H new ATOM 0 HG SER A 15 -6.789 -16.222 -0.308 1.00 0.00 H new ATOM 242 N SER A 16 -3.284 -13.708 1.881 1.00 0.00 N ATOM 243 CA SER A 16 -2.149 -14.037 2.737 1.00 0.00 C ATOM 244 C SER A 16 -1.616 -12.794 3.443 1.00 0.00 C ATOM 245 O SER A 16 -1.560 -12.741 4.671 1.00 0.00 O ATOM 246 CB SER A 16 -1.035 -14.687 1.914 1.00 0.00 C ATOM 247 OG SER A 16 -1.040 -14.209 0.580 1.00 0.00 O ATOM 0 H SER A 16 -3.032 -13.271 0.995 1.00 0.00 H new ATOM 0 HA SER A 16 -2.492 -14.742 3.495 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.069 -14.478 2.375 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.162 -15.770 1.916 1.00 0.00 H new ATOM 0 HG SER A 16 -0.318 -14.639 0.076 1.00 0.00 H new ATOM 253 N LEU A 17 -1.225 -11.794 2.656 1.00 0.00 N ATOM 254 CA LEU A 17 -0.693 -10.544 3.198 1.00 0.00 C ATOM 255 C LEU A 17 -1.561 -10.029 4.344 1.00 0.00 C ATOM 256 O LEU A 17 -1.077 -9.828 5.458 1.00 0.00 O ATOM 257 CB LEU A 17 -0.601 -9.490 2.086 1.00 0.00 C ATOM 258 CG LEU A 17 -0.058 -8.116 2.501 1.00 0.00 C ATOM 259 CD1 LEU A 17 -1.189 -7.207 2.954 1.00 0.00 C ATOM 260 CD2 LEU A 17 0.997 -8.249 3.591 1.00 0.00 C ATOM 0 H LEU A 17 -1.267 -11.825 1.637 1.00 0.00 H new ATOM 0 HA LEU A 17 0.305 -10.738 3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.033 -9.884 1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.595 -9.352 1.661 1.00 0.00 H new ATOM 0 HG LEU A 17 0.417 -7.665 1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.783 -6.238 3.244 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.898 -7.074 2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.698 -7.657 3.806 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.364 -7.260 3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.558 -8.728 4.466 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.826 -8.854 3.223 1.00 0.00 H new ATOM 272 N SER A 18 -2.845 -9.824 4.068 1.00 0.00 N ATOM 273 CA SER A 18 -3.776 -9.338 5.081 1.00 0.00 C ATOM 274 C SER A 18 -3.717 -10.210 6.332 1.00 0.00 C ATOM 275 O SER A 18 -3.670 -9.705 7.453 1.00 0.00 O ATOM 276 CB SER A 18 -5.202 -9.314 4.526 1.00 0.00 C ATOM 277 OG SER A 18 -5.984 -8.322 5.167 1.00 0.00 O ATOM 0 H SER A 18 -3.264 -9.987 3.153 1.00 0.00 H new ATOM 0 HA SER A 18 -3.485 -8.323 5.352 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.174 -9.122 3.453 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.665 -10.291 4.663 1.00 0.00 H new ATOM 0 HG SER A 18 -6.890 -8.327 4.793 1.00 0.00 H new ATOM 283 N ALA A 19 -3.713 -11.524 6.129 1.00 0.00 N ATOM 284 CA ALA A 19 -3.650 -12.468 7.238 1.00 0.00 C ATOM 285 C ALA A 19 -2.344 -12.309 8.006 1.00 0.00 C ATOM 286 O ALA A 19 -2.319 -12.370 9.235 1.00 0.00 O ATOM 287 CB ALA A 19 -3.793 -13.893 6.727 1.00 0.00 C ATOM 0 H ALA A 19 -3.753 -11.958 5.207 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.475 -12.256 7.917 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.744 -14.587 7.566 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.752 -14.003 6.220 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.986 -14.112 6.028 1.00 0.00 H new ATOM 293 N ILE A 20 -1.259 -12.099 7.267 1.00 0.00 N ATOM 294 CA ILE A 20 0.057 -11.924 7.868 1.00 0.00 C ATOM 295 C ILE A 20 0.052 -10.757 8.849 1.00 0.00 C ATOM 296 O ILE A 20 0.222 -10.946 10.052 1.00 0.00 O ATOM 297 CB ILE A 20 1.135 -11.697 6.783 1.00 0.00 C ATOM 298 CG1 ILE A 20 1.465 -13.013 6.089 1.00 0.00 C ATOM 299 CG2 ILE A 20 2.395 -11.078 7.376 1.00 0.00 C ATOM 300 CD1 ILE A 20 1.697 -12.869 4.602 1.00 0.00 C ATOM 0 H ILE A 20 -1.266 -12.046 6.248 1.00 0.00 H new ATOM 0 HA ILE A 20 0.298 -12.838 8.411 1.00 0.00 H new ATOM 0 HB ILE A 20 0.735 -10.998 6.048 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.355 -13.443 6.548 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.649 -13.717 6.255 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.134 -10.931 6.588 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.150 -10.117 7.828 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.804 -11.743 8.137 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.927 -13.845 4.173 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.800 -12.468 4.131 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.532 -12.190 4.428 1.00 0.00 H new ATOM 312 N LEU A 21 -0.150 -9.550 8.329 1.00 0.00 N ATOM 313 CA LEU A 21 -0.186 -8.356 9.164 1.00 0.00 C ATOM 314 C LEU A 21 -1.102 -8.565 10.366 1.00 0.00 C ATOM 315 O LEU A 21 -0.856 -8.038 11.450 1.00 0.00 O ATOM 316 CB LEU A 21 -0.665 -7.170 8.339 1.00 0.00 C ATOM 317 CG LEU A 21 0.205 -6.859 7.125 1.00 0.00 C ATOM 318 CD1 LEU A 21 -0.654 -6.707 5.883 1.00 0.00 C ATOM 319 CD2 LEU A 21 1.033 -5.609 7.372 1.00 0.00 C ATOM 0 H LEU A 21 -0.291 -9.374 7.334 1.00 0.00 H new ATOM 0 HA LEU A 21 0.820 -8.156 9.533 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.683 -7.364 8.002 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.704 -6.289 8.979 1.00 0.00 H new ATOM 0 HG LEU A 21 0.890 -7.691 6.963 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.018 -6.485 5.026 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.198 -7.634 5.701 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.363 -5.892 6.029 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.648 -5.401 6.496 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.370 -4.764 7.559 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.676 -5.764 8.238 1.00 0.00 H new ATOM 331 N GLU A 22 -2.157 -9.351 10.161 1.00 0.00 N ATOM 332 CA GLU A 22 -3.108 -9.645 11.225 1.00 0.00 C ATOM 333 C GLU A 22 -2.454 -10.489 12.314 1.00 0.00 C ATOM 334 O GLU A 22 -2.823 -10.400 13.485 1.00 0.00 O ATOM 335 CB GLU A 22 -4.327 -10.372 10.664 1.00 0.00 C ATOM 336 CG GLU A 22 -5.367 -9.440 10.064 1.00 0.00 C ATOM 337 CD GLU A 22 -6.679 -10.141 9.772 1.00 0.00 C ATOM 338 OE1 GLU A 22 -6.677 -11.386 9.672 1.00 0.00 O ATOM 339 OE2 GLU A 22 -7.708 -9.446 9.642 1.00 0.00 O ATOM 0 H GLU A 22 -2.373 -9.794 9.268 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.431 -8.700 11.663 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.000 -11.078 9.900 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.790 -10.956 11.460 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.546 -8.612 10.750 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.976 -9.011 9.142 1.00 0.00 H new ATOM 346 N GLU A 23 -1.474 -11.299 11.924 1.00 0.00 N ATOM 347 CA GLU A 23 -0.763 -12.146 12.868 1.00 0.00 C ATOM 348 C GLU A 23 0.277 -11.324 13.621 1.00 0.00 C ATOM 349 O GLU A 23 0.540 -11.560 14.800 1.00 0.00 O ATOM 350 CB GLU A 23 -0.094 -13.310 12.126 1.00 0.00 C ATOM 351 CG GLU A 23 0.986 -14.015 12.931 1.00 0.00 C ATOM 352 CD GLU A 23 0.890 -15.525 12.840 1.00 0.00 C ATOM 353 OE1 GLU A 23 0.944 -16.056 11.710 1.00 0.00 O ATOM 354 OE2 GLU A 23 0.761 -16.177 13.897 1.00 0.00 O ATOM 0 H GLU A 23 -1.156 -11.385 10.959 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.472 -12.555 13.588 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.857 -14.036 11.846 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.343 -12.935 11.201 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.966 -13.695 12.576 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.911 -13.712 13.975 1.00 0.00 H new ATOM 361 N GLU A 24 0.859 -10.354 12.926 1.00 0.00 N ATOM 362 CA GLU A 24 1.867 -9.484 13.516 1.00 0.00 C ATOM 363 C GLU A 24 1.224 -8.421 14.406 1.00 0.00 C ATOM 364 O GLU A 24 1.913 -7.731 15.158 1.00 0.00 O ATOM 365 CB GLU A 24 2.692 -8.812 12.418 1.00 0.00 C ATOM 366 CG GLU A 24 3.442 -9.796 11.535 1.00 0.00 C ATOM 367 CD GLU A 24 4.701 -10.325 12.192 1.00 0.00 C ATOM 368 OE1 GLU A 24 5.350 -9.559 12.934 1.00 0.00 O ATOM 369 OE2 GLU A 24 5.039 -11.506 11.963 1.00 0.00 O ATOM 0 H GLU A 24 0.648 -10.150 11.949 1.00 0.00 H new ATOM 0 HA GLU A 24 2.522 -10.098 14.134 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.031 -8.208 11.796 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.407 -8.130 12.878 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.786 -10.631 11.289 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.704 -9.309 10.595 1.00 0.00 H new ATOM 376 N GLY A 25 -0.097 -8.287 14.312 1.00 0.00 N ATOM 377 CA GLY A 25 -0.800 -7.302 15.107 1.00 0.00 C ATOM 378 C GLY A 25 -0.949 -5.986 14.373 1.00 0.00 C ATOM 379 O GLY A 25 -0.417 -4.962 14.802 1.00 0.00 O ATOM 0 H GLY A 25 -0.691 -8.845 13.698 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.786 -7.685 15.370 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.262 -7.138 16.041 1.00 0.00 H new ATOM 383 N TYR A 26 -1.664 -6.017 13.253 1.00 0.00 N ATOM 384 CA TYR A 26 -1.870 -4.821 12.446 1.00 0.00 C ATOM 385 C TYR A 26 -3.352 -4.584 12.171 1.00 0.00 C ATOM 386 O TYR A 26 -4.216 -5.273 12.712 1.00 0.00 O ATOM 387 CB TYR A 26 -1.117 -4.950 11.122 1.00 0.00 C ATOM 388 CG TYR A 26 0.362 -4.667 11.231 1.00 0.00 C ATOM 389 CD1 TYR A 26 1.248 -5.652 11.647 1.00 0.00 C ATOM 390 CD2 TYR A 26 0.873 -3.415 10.914 1.00 0.00 C ATOM 391 CE1 TYR A 26 2.602 -5.396 11.745 1.00 0.00 C ATOM 392 CE2 TYR A 26 2.226 -3.152 11.008 1.00 0.00 C ATOM 393 CZ TYR A 26 3.086 -4.146 11.424 1.00 0.00 C ATOM 394 OH TYR A 26 4.434 -3.888 11.521 1.00 0.00 O ATOM 0 H TYR A 26 -2.110 -6.857 12.884 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.486 -3.968 13.006 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.257 -5.958 10.732 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.556 -4.265 10.397 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.873 -6.633 11.898 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.202 -2.634 10.589 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.278 -6.172 12.072 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.608 -2.173 10.757 1.00 0.00 H new ATOM 0 HH TYR A 26 4.938 -4.712 11.354 1.00 0.00 H new ATOM 404 N HIS A 27 -3.630 -3.604 11.318 1.00 0.00 N ATOM 405 CA HIS A 27 -4.995 -3.262 10.953 1.00 0.00 C ATOM 406 C HIS A 27 -5.106 -3.040 9.446 1.00 0.00 C ATOM 407 O HIS A 27 -5.327 -1.922 8.982 1.00 0.00 O ATOM 408 CB HIS A 27 -5.439 -2.007 11.707 1.00 0.00 C ATOM 409 CG HIS A 27 -6.636 -2.225 12.579 1.00 0.00 C ATOM 410 ND1 HIS A 27 -6.847 -3.387 13.291 1.00 0.00 N ATOM 411 CD2 HIS A 27 -7.691 -1.420 12.855 1.00 0.00 C ATOM 412 CE1 HIS A 27 -7.979 -3.289 13.966 1.00 0.00 C ATOM 413 NE2 HIS A 27 -8.510 -2.107 13.718 1.00 0.00 N ATOM 0 H HIS A 27 -2.920 -3.030 10.864 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.648 -4.090 11.228 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.612 -1.651 12.321 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.663 -1.220 10.987 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -6.226 -4.196 13.296 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.857 -0.425 12.469 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.398 -4.047 14.611 1.00 0.00 H new ATOM 422 N PRO A 28 -4.954 -4.114 8.662 1.00 0.00 N ATOM 423 CA PRO A 28 -5.037 -4.044 7.202 1.00 0.00 C ATOM 424 C PRO A 28 -6.400 -3.552 6.732 1.00 0.00 C ATOM 425 O PRO A 28 -7.436 -4.036 7.188 1.00 0.00 O ATOM 426 CB PRO A 28 -4.798 -5.488 6.751 1.00 0.00 C ATOM 427 CG PRO A 28 -4.162 -6.167 7.917 1.00 0.00 C ATOM 428 CD PRO A 28 -4.694 -5.477 9.141 1.00 0.00 C ATOM 0 HA PRO A 28 -4.317 -3.339 6.786 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.734 -5.974 6.476 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.151 -5.524 5.875 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.407 -7.229 7.931 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -3.076 -6.091 7.868 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.601 -5.955 9.512 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.971 -5.488 9.957 1.00 0.00 H new ATOM 436 N ASP A 29 -6.394 -2.576 5.829 1.00 0.00 N ATOM 437 CA ASP A 29 -7.641 -2.018 5.321 1.00 0.00 C ATOM 438 C ASP A 29 -7.903 -2.397 3.874 1.00 0.00 C ATOM 439 O ASP A 29 -8.878 -1.947 3.277 1.00 0.00 O ATOM 440 CB ASP A 29 -7.661 -0.504 5.492 1.00 0.00 C ATOM 441 CG ASP A 29 -8.742 -0.046 6.452 1.00 0.00 C ATOM 442 OD1 ASP A 29 -8.492 -0.055 7.676 1.00 0.00 O ATOM 443 OD2 ASP A 29 -9.838 0.321 5.980 1.00 0.00 O ATOM 0 H ASP A 29 -5.549 -2.159 5.438 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.447 -2.452 5.913 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.690 -0.169 5.856 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.817 -0.033 4.521 1.00 0.00 H new ATOM 448 N THR A 30 -7.015 -3.214 3.330 1.00 0.00 N ATOM 449 CA THR A 30 -7.078 -3.695 1.939 1.00 0.00 C ATOM 450 C THR A 30 -8.249 -3.133 1.136 1.00 0.00 C ATOM 451 O THR A 30 -9.413 -3.296 1.501 1.00 0.00 O ATOM 452 CB THR A 30 -7.138 -5.219 1.907 1.00 0.00 C ATOM 453 OG1 THR A 30 -8.444 -5.678 2.210 1.00 0.00 O ATOM 454 CG2 THR A 30 -6.180 -5.880 2.874 1.00 0.00 C ATOM 0 H THR A 30 -6.211 -3.574 3.844 1.00 0.00 H new ATOM 0 HA THR A 30 -6.167 -3.331 1.465 1.00 0.00 H new ATOM 0 HB THR A 30 -6.849 -5.495 0.893 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.040 -4.910 2.334 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.276 -6.963 2.798 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.158 -5.588 2.631 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.415 -5.565 3.891 1.00 0.00 H new ATOM 462 N ALA A 31 -7.918 -2.495 0.021 1.00 0.00 N ATOM 463 CA ALA A 31 -8.921 -1.924 -0.867 1.00 0.00 C ATOM 464 C ALA A 31 -9.032 -2.748 -2.148 1.00 0.00 C ATOM 465 O ALA A 31 -8.587 -3.895 -2.195 1.00 0.00 O ATOM 466 CB ALA A 31 -8.579 -0.476 -1.188 1.00 0.00 C ATOM 0 H ALA A 31 -6.956 -2.360 -0.291 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.887 -1.947 -0.362 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.337 -0.062 -1.853 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.549 0.104 -0.266 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.605 -0.432 -1.676 1.00 0.00 H new ATOM 472 N LYS A 32 -9.626 -2.164 -3.184 1.00 0.00 N ATOM 473 CA LYS A 32 -9.788 -2.858 -4.457 1.00 0.00 C ATOM 474 C LYS A 32 -8.984 -2.180 -5.560 1.00 0.00 C ATOM 475 O LYS A 32 -8.508 -2.835 -6.486 1.00 0.00 O ATOM 476 CB LYS A 32 -11.264 -2.916 -4.845 1.00 0.00 C ATOM 477 CG LYS A 32 -12.156 -3.470 -3.749 1.00 0.00 C ATOM 478 CD LYS A 32 -13.555 -3.769 -4.265 1.00 0.00 C ATOM 479 CE LYS A 32 -13.704 -5.230 -4.656 1.00 0.00 C ATOM 480 NZ LYS A 32 -12.973 -5.544 -5.915 1.00 0.00 N ATOM 0 H LYS A 32 -10.002 -1.216 -3.168 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.411 -3.873 -4.336 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.603 -1.913 -5.106 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.373 -3.532 -5.738 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.714 -4.381 -3.345 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.215 -2.753 -2.930 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.288 -3.520 -3.498 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.769 -3.137 -5.127 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.329 -5.862 -3.851 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.761 -5.467 -4.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.320 -6.444 -6.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.132 -4.784 -6.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.955 -5.623 -5.715 1.00 0.00 H new ATOM 494 N THR A 33 -8.836 -0.865 -5.457 1.00 0.00 N ATOM 495 CA THR A 33 -8.087 -0.103 -6.448 1.00 0.00 C ATOM 496 C THR A 33 -7.865 1.327 -5.972 1.00 0.00 C ATOM 497 O THR A 33 -8.108 1.651 -4.809 1.00 0.00 O ATOM 498 CB THR A 33 -8.826 -0.103 -7.791 1.00 0.00 C ATOM 499 OG1 THR A 33 -10.082 -0.748 -7.676 1.00 0.00 O ATOM 500 CG2 THR A 33 -8.055 -0.793 -8.896 1.00 0.00 C ATOM 0 H THR A 33 -9.224 -0.305 -4.698 1.00 0.00 H new ATOM 0 HA THR A 33 -7.115 -0.578 -6.581 1.00 0.00 H new ATOM 0 HB THR A 33 -8.947 0.948 -8.053 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.537 -0.735 -8.544 1.00 0.00 H new ATOM 0 HG21 THR A 33 -8.633 -0.758 -9.819 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.101 -0.287 -9.045 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.875 -1.832 -8.620 1.00 0.00 H new ATOM 508 N LEU A 34 -7.404 2.180 -6.878 1.00 0.00 N ATOM 509 CA LEU A 34 -7.153 3.577 -6.551 1.00 0.00 C ATOM 510 C LEU A 34 -8.452 4.281 -6.177 1.00 0.00 C ATOM 511 O LEU A 34 -8.513 5.006 -5.185 1.00 0.00 O ATOM 512 CB LEU A 34 -6.484 4.284 -7.730 1.00 0.00 C ATOM 513 CG LEU A 34 -5.268 3.557 -8.308 1.00 0.00 C ATOM 514 CD1 LEU A 34 -4.748 4.282 -9.540 1.00 0.00 C ATOM 515 CD2 LEU A 34 -4.175 3.430 -7.257 1.00 0.00 C ATOM 0 H LEU A 34 -7.197 1.929 -7.845 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.482 3.617 -5.693 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.221 4.416 -8.522 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.177 5.280 -7.411 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.574 2.554 -8.607 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.883 3.750 -9.937 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.531 4.319 -10.298 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.457 5.297 -9.269 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.318 2.911 -7.685 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.870 4.423 -6.927 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.553 2.865 -6.405 1.00 0.00 H new ATOM 527 N ARG A 35 -9.494 4.051 -6.970 1.00 0.00 N ATOM 528 CA ARG A 35 -10.796 4.655 -6.712 1.00 0.00 C ATOM 529 C ARG A 35 -11.294 4.264 -5.324 1.00 0.00 C ATOM 530 O ARG A 35 -11.680 5.119 -4.525 1.00 0.00 O ATOM 531 CB ARG A 35 -11.806 4.221 -7.777 1.00 0.00 C ATOM 532 CG ARG A 35 -12.475 5.384 -8.491 1.00 0.00 C ATOM 533 CD ARG A 35 -12.850 5.023 -9.920 1.00 0.00 C ATOM 534 NE ARG A 35 -12.029 5.734 -10.897 1.00 0.00 N ATOM 535 CZ ARG A 35 -12.339 5.839 -12.188 1.00 0.00 C ATOM 536 NH1 ARG A 35 -13.447 5.281 -12.659 1.00 0.00 N ATOM 537 NH2 ARG A 35 -11.537 6.505 -13.008 1.00 0.00 N ATOM 0 H ARG A 35 -9.462 3.452 -7.795 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.690 5.739 -6.754 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.300 3.597 -8.513 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.573 3.604 -7.309 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -13.369 5.682 -7.944 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.804 6.243 -8.496 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.736 3.949 -10.064 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.901 5.258 -10.090 1.00 0.00 H new ATOM 0 HE ARG A 35 -11.169 6.175 -10.572 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -14.066 4.768 -12.031 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -13.679 5.365 -13.649 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.685 6.936 -12.650 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.773 6.587 -13.997 1.00 0.00 H new ATOM 551 N GLU A 36 -11.270 2.965 -5.043 1.00 0.00 N ATOM 552 CA GLU A 36 -11.706 2.456 -3.749 1.00 0.00 C ATOM 553 C GLU A 36 -10.718 2.855 -2.658 1.00 0.00 C ATOM 554 O GLU A 36 -11.094 3.032 -1.500 1.00 0.00 O ATOM 555 CB GLU A 36 -11.851 0.931 -3.799 1.00 0.00 C ATOM 556 CG GLU A 36 -13.280 0.450 -3.598 1.00 0.00 C ATOM 557 CD GLU A 36 -13.650 0.322 -2.134 1.00 0.00 C ATOM 558 OE1 GLU A 36 -13.089 -0.564 -1.454 1.00 0.00 O ATOM 559 OE2 GLU A 36 -14.502 1.106 -1.666 1.00 0.00 O ATOM 0 H GLU A 36 -10.953 2.247 -5.694 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.677 2.893 -3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.487 0.571 -4.761 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.216 0.488 -3.032 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -13.965 1.145 -4.083 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.407 -0.516 -4.087 1.00 0.00 H new ATOM 566 N ALA A 37 -9.452 2.999 -3.039 1.00 0.00 N ATOM 567 CA ALA A 37 -8.410 3.382 -2.094 1.00 0.00 C ATOM 568 C ALA A 37 -8.480 4.871 -1.780 1.00 0.00 C ATOM 569 O ALA A 37 -8.073 5.305 -0.702 1.00 0.00 O ATOM 570 CB ALA A 37 -7.039 3.017 -2.643 1.00 0.00 C ATOM 0 H ALA A 37 -9.124 2.856 -3.994 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.572 2.833 -1.166 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.271 3.309 -1.927 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.989 1.941 -2.811 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.874 3.539 -3.585 1.00 0.00 H new ATOM 576 N GLU A 38 -9.015 5.649 -2.715 1.00 0.00 N ATOM 577 CA GLU A 38 -9.152 7.085 -2.519 1.00 0.00 C ATOM 578 C GLU A 38 -10.293 7.370 -1.556 1.00 0.00 C ATOM 579 O GLU A 38 -10.203 8.259 -0.710 1.00 0.00 O ATOM 580 CB GLU A 38 -9.400 7.789 -3.852 1.00 0.00 C ATOM 581 CG GLU A 38 -8.134 8.032 -4.657 1.00 0.00 C ATOM 582 CD GLU A 38 -8.363 8.958 -5.836 1.00 0.00 C ATOM 583 OE1 GLU A 38 -9.100 9.953 -5.675 1.00 0.00 O ATOM 584 OE2 GLU A 38 -7.803 8.687 -6.919 1.00 0.00 O ATOM 0 H GLU A 38 -9.359 5.309 -3.613 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.224 7.468 -2.095 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.089 7.190 -4.447 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.889 8.744 -3.663 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.371 8.459 -4.007 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.748 7.078 -5.018 1.00 0.00 H new ATOM 591 N LYS A 39 -11.363 6.592 -1.681 1.00 0.00 N ATOM 592 CA LYS A 39 -12.519 6.742 -0.810 1.00 0.00 C ATOM 593 C LYS A 39 -12.161 6.308 0.607 1.00 0.00 C ATOM 594 O LYS A 39 -12.629 6.890 1.584 1.00 0.00 O ATOM 595 CB LYS A 39 -13.693 5.912 -1.338 1.00 0.00 C ATOM 596 CG LYS A 39 -14.896 5.892 -0.408 1.00 0.00 C ATOM 597 CD LYS A 39 -14.757 4.813 0.654 1.00 0.00 C ATOM 598 CE LYS A 39 -16.100 4.186 0.991 1.00 0.00 C ATOM 599 NZ LYS A 39 -15.998 2.710 1.162 1.00 0.00 N ATOM 0 H LYS A 39 -11.452 5.852 -2.377 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.815 7.791 -0.794 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.000 6.308 -2.306 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.357 4.889 -1.505 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.004 6.865 0.071 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.803 5.720 -0.987 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.072 4.041 0.303 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.318 5.242 1.555 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.489 4.631 1.907 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.814 4.411 0.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.952 2.295 1.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.452 2.306 0.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.519 2.497 2.060 1.00 0.00 H new ATOM 613 N LYS A 40 -11.318 5.284 0.705 1.00 0.00 N ATOM 614 CA LYS A 40 -10.885 4.771 1.996 1.00 0.00 C ATOM 615 C LYS A 40 -9.873 5.715 2.639 1.00 0.00 C ATOM 616 O LYS A 40 -9.858 5.887 3.857 1.00 0.00 O ATOM 617 CB LYS A 40 -10.274 3.378 1.836 1.00 0.00 C ATOM 618 CG LYS A 40 -11.229 2.363 1.225 1.00 0.00 C ATOM 619 CD LYS A 40 -11.637 1.300 2.232 1.00 0.00 C ATOM 620 CE LYS A 40 -12.996 1.602 2.841 1.00 0.00 C ATOM 621 NZ LYS A 40 -13.147 0.993 4.192 1.00 0.00 N ATOM 0 H LYS A 40 -10.922 4.794 -0.097 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.757 4.702 2.646 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.384 3.450 1.211 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.949 3.018 2.812 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.118 2.875 0.856 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.755 1.888 0.366 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.664 0.326 1.743 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.888 1.239 3.022 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.130 2.681 2.912 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -13.780 1.226 2.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -14.087 1.222 4.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.044 -0.039 4.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.415 1.371 4.827 1.00 0.00 H new ATOM 635 N ILE A 41 -9.030 6.327 1.812 1.00 0.00 N ATOM 636 CA ILE A 41 -8.019 7.255 2.303 1.00 0.00 C ATOM 637 C ILE A 41 -8.601 8.657 2.485 1.00 0.00 C ATOM 638 O ILE A 41 -8.058 9.470 3.233 1.00 0.00 O ATOM 639 CB ILE A 41 -6.812 7.326 1.346 1.00 0.00 C ATOM 640 CG1 ILE A 41 -6.172 5.945 1.196 1.00 0.00 C ATOM 641 CG2 ILE A 41 -5.786 8.334 1.846 1.00 0.00 C ATOM 642 CD1 ILE A 41 -5.440 5.759 -0.115 1.00 0.00 C ATOM 0 H ILE A 41 -9.028 6.197 0.800 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.683 6.879 3.269 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.167 7.655 0.370 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.475 5.785 2.018 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.947 5.183 1.282 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.943 8.368 1.156 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.245 9.321 1.907 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.434 8.036 2.834 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.011 4.758 -0.153 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.138 5.887 -0.943 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.643 6.498 -0.195 1.00 0.00 H new ATOM 654 N LYS A 42 -9.705 8.933 1.798 1.00 0.00 N ATOM 655 CA LYS A 42 -10.354 10.235 1.887 1.00 0.00 C ATOM 656 C LYS A 42 -10.821 10.526 3.314 1.00 0.00 C ATOM 657 O LYS A 42 -11.076 11.676 3.669 1.00 0.00 O ATOM 658 CB LYS A 42 -11.536 10.305 0.925 1.00 0.00 C ATOM 659 CG LYS A 42 -11.301 11.226 -0.261 1.00 0.00 C ATOM 660 CD LYS A 42 -11.903 12.602 -0.026 1.00 0.00 C ATOM 661 CE LYS A 42 -11.428 13.604 -1.066 1.00 0.00 C ATOM 662 NZ LYS A 42 -12.476 13.884 -2.087 1.00 0.00 N ATOM 0 H LYS A 42 -10.168 8.272 1.174 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.622 10.993 1.609 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.755 9.302 0.558 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.417 10.645 1.469 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.230 11.322 -0.442 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.737 10.785 -1.157 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.990 12.534 -0.055 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.632 12.953 0.970 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.145 14.533 -0.572 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.535 13.220 -1.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.113 14.572 -2.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.728 13.002 -2.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.320 14.274 -1.621 1.00 0.00 H new ATOM 676 N GLU A 43 -10.933 9.478 4.127 1.00 0.00 N ATOM 677 CA GLU A 43 -11.371 9.630 5.508 1.00 0.00 C ATOM 678 C GLU A 43 -10.408 8.937 6.467 1.00 0.00 C ATOM 679 O GLU A 43 -10.040 9.494 7.501 1.00 0.00 O ATOM 680 CB GLU A 43 -12.780 9.063 5.684 1.00 0.00 C ATOM 681 CG GLU A 43 -13.773 9.572 4.652 1.00 0.00 C ATOM 682 CD GLU A 43 -15.153 8.966 4.822 1.00 0.00 C ATOM 683 OE1 GLU A 43 -15.583 8.787 5.982 1.00 0.00 O ATOM 684 OE2 GLU A 43 -15.802 8.669 3.797 1.00 0.00 O ATOM 0 H GLU A 43 -10.727 8.518 3.852 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.383 10.695 5.742 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.735 7.975 5.627 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.143 9.315 6.680 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.845 10.657 4.727 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.401 9.345 3.653 1.00 0.00 H new ATOM 691 N LEU A 44 -10.007 7.720 6.118 1.00 0.00 N ATOM 692 CA LEU A 44 -9.089 6.951 6.951 1.00 0.00 C ATOM 693 C LEU A 44 -7.643 7.368 6.701 1.00 0.00 C ATOM 694 O LEU A 44 -7.143 7.272 5.580 1.00 0.00 O ATOM 695 CB LEU A 44 -9.259 5.453 6.684 1.00 0.00 C ATOM 696 CG LEU A 44 -9.561 4.609 7.922 1.00 0.00 C ATOM 697 CD1 LEU A 44 -8.395 4.656 8.898 1.00 0.00 C ATOM 698 CD2 LEU A 44 -10.840 5.090 8.589 1.00 0.00 C ATOM 0 H LEU A 44 -10.302 7.245 5.265 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.327 7.155 7.995 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.065 5.316 5.963 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.348 5.076 6.218 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.702 3.574 7.611 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.628 4.049 9.773 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.500 4.266 8.414 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.221 5.687 9.207 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.043 4.480 9.469 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.725 6.132 8.888 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.670 5.004 7.888 1.00 0.00 H new ATOM 710 N PHE A 45 -6.977 7.830 7.754 1.00 0.00 N ATOM 711 CA PHE A 45 -5.587 8.259 7.653 1.00 0.00 C ATOM 712 C PHE A 45 -4.645 7.065 7.759 1.00 0.00 C ATOM 713 O PHE A 45 -4.204 6.705 8.851 1.00 0.00 O ATOM 714 CB PHE A 45 -5.267 9.277 8.749 1.00 0.00 C ATOM 715 CG PHE A 45 -3.909 9.902 8.611 1.00 0.00 C ATOM 716 CD1 PHE A 45 -2.796 9.308 9.183 1.00 0.00 C ATOM 717 CD2 PHE A 45 -3.745 11.085 7.908 1.00 0.00 C ATOM 718 CE1 PHE A 45 -1.545 9.882 9.059 1.00 0.00 C ATOM 719 CE2 PHE A 45 -2.496 11.664 7.780 1.00 0.00 C ATOM 720 CZ PHE A 45 -1.395 11.061 8.355 1.00 0.00 C ATOM 0 H PHE A 45 -7.378 7.917 8.688 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.443 8.728 6.680 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.022 10.063 8.735 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.335 8.786 9.720 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.907 8.385 9.733 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.603 11.560 7.455 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.686 9.409 9.512 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.382 12.587 7.231 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.418 11.510 8.255 1.00 0.00 H new ATOM 730 N PHE A 46 -4.347 6.449 6.620 1.00 0.00 N ATOM 731 CA PHE A 46 -3.461 5.291 6.588 1.00 0.00 C ATOM 732 C PHE A 46 -1.994 5.714 6.670 1.00 0.00 C ATOM 733 O PHE A 46 -1.563 6.619 5.957 1.00 0.00 O ATOM 734 CB PHE A 46 -3.691 4.483 5.308 1.00 0.00 C ATOM 735 CG PHE A 46 -5.020 3.787 5.259 1.00 0.00 C ATOM 736 CD1 PHE A 46 -5.507 3.108 6.365 1.00 0.00 C ATOM 737 CD2 PHE A 46 -5.784 3.809 4.103 1.00 0.00 C ATOM 738 CE1 PHE A 46 -6.731 2.468 6.319 1.00 0.00 C ATOM 739 CE2 PHE A 46 -7.008 3.171 4.050 1.00 0.00 C ATOM 740 CZ PHE A 46 -7.482 2.500 5.159 1.00 0.00 C ATOM 0 H PHE A 46 -4.705 6.732 5.708 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.691 4.672 7.455 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.609 5.150 4.450 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.899 3.740 5.212 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.923 3.079 7.273 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.418 4.332 3.232 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.100 1.944 7.188 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -7.593 3.197 3.143 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.439 2.000 5.121 1.00 0.00 H new ATOM 750 N PRO A 47 -1.198 5.051 7.533 1.00 0.00 N ATOM 751 CA PRO A 47 0.219 5.350 7.689 1.00 0.00 C ATOM 752 C PRO A 47 1.073 4.625 6.651 1.00 0.00 C ATOM 753 O PRO A 47 2.205 5.022 6.372 1.00 0.00 O ATOM 754 CB PRO A 47 0.548 4.842 9.099 1.00 0.00 C ATOM 755 CG PRO A 47 -0.620 4.011 9.544 1.00 0.00 C ATOM 756 CD PRO A 47 -1.609 3.950 8.408 1.00 0.00 C ATOM 0 HA PRO A 47 0.428 6.411 7.550 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.463 4.250 9.093 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.712 5.676 9.782 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.292 3.008 9.818 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -1.083 4.447 10.429 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.568 2.991 7.892 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.632 4.079 8.760 1.00 0.00 H new ATOM 764 N VAL A 48 0.515 3.563 6.079 1.00 0.00 N ATOM 765 CA VAL A 48 1.207 2.775 5.072 1.00 0.00 C ATOM 766 C VAL A 48 0.237 2.247 4.025 1.00 0.00 C ATOM 767 O VAL A 48 -0.805 1.687 4.356 1.00 0.00 O ATOM 768 CB VAL A 48 1.935 1.588 5.715 1.00 0.00 C ATOM 769 CG1 VAL A 48 2.985 1.017 4.776 1.00 0.00 C ATOM 770 CG2 VAL A 48 2.555 2.022 7.025 1.00 0.00 C ATOM 0 H VAL A 48 -0.423 3.228 6.300 1.00 0.00 H new ATOM 0 HA VAL A 48 1.932 3.432 4.591 1.00 0.00 H new ATOM 0 HB VAL A 48 1.212 0.797 5.913 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.485 0.177 5.258 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.506 0.676 3.858 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.718 1.788 4.538 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.072 1.177 7.480 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.267 2.827 6.842 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.774 2.375 7.698 1.00 0.00 H new ATOM 780 N ILE A 49 0.592 2.430 2.764 1.00 0.00 N ATOM 781 CA ILE A 49 -0.233 1.970 1.655 1.00 0.00 C ATOM 782 C ILE A 49 0.527 0.957 0.810 1.00 0.00 C ATOM 783 O ILE A 49 1.760 0.944 0.800 1.00 0.00 O ATOM 784 CB ILE A 49 -0.684 3.138 0.752 1.00 0.00 C ATOM 785 CG1 ILE A 49 -0.961 4.392 1.586 1.00 0.00 C ATOM 786 CG2 ILE A 49 -1.921 2.745 -0.042 1.00 0.00 C ATOM 787 CD1 ILE A 49 -2.018 4.193 2.649 1.00 0.00 C ATOM 0 H ILE A 49 1.453 2.898 2.480 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.118 1.504 2.088 1.00 0.00 H new ATOM 0 HB ILE A 49 0.122 3.363 0.054 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.035 4.713 2.063 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.273 5.198 0.922 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.228 3.578 -0.674 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.693 1.881 -0.666 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.729 2.494 0.645 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.160 5.123 3.199 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.957 3.902 2.178 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.699 3.410 3.337 1.00 0.00 H new ATOM 799 N VAL A 50 -0.208 0.112 0.099 1.00 0.00 N ATOM 800 CA VAL A 50 0.406 -0.899 -0.751 1.00 0.00 C ATOM 801 C VAL A 50 -0.447 -1.157 -1.985 1.00 0.00 C ATOM 802 O VAL A 50 -1.462 -1.852 -1.924 1.00 0.00 O ATOM 803 CB VAL A 50 0.622 -2.215 0.015 1.00 0.00 C ATOM 804 CG1 VAL A 50 1.271 -3.264 -0.878 1.00 0.00 C ATOM 805 CG2 VAL A 50 1.468 -1.961 1.251 1.00 0.00 C ATOM 0 H VAL A 50 -1.228 0.107 0.094 1.00 0.00 H new ATOM 0 HA VAL A 50 1.378 -0.517 -1.064 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.349 -2.600 0.327 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.413 -4.185 -0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.628 -3.460 -1.736 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.237 -2.899 -1.225 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.617 -2.897 1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.435 -1.556 0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.960 -1.247 1.899 1.00 0.00 H new ATOM 815 N LEU A 51 -0.030 -0.577 -3.101 1.00 0.00 N ATOM 816 CA LEU A 51 -0.753 -0.720 -4.358 1.00 0.00 C ATOM 817 C LEU A 51 -0.285 -1.940 -5.146 1.00 0.00 C ATOM 818 O LEU A 51 0.811 -1.950 -5.708 1.00 0.00 O ATOM 819 CB LEU A 51 -0.588 0.541 -5.209 1.00 0.00 C ATOM 820 CG LEU A 51 -1.285 0.499 -6.569 1.00 0.00 C ATOM 821 CD1 LEU A 51 -2.795 0.433 -6.394 1.00 0.00 C ATOM 822 CD2 LEU A 51 -0.896 1.712 -7.403 1.00 0.00 C ATOM 0 H LEU A 51 0.809 -0.000 -3.162 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.806 -0.862 -4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.971 1.393 -4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.476 0.717 -5.368 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.962 -0.399 -7.095 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.274 0.404 -7.373 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.058 -0.465 -5.835 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.137 1.313 -5.849 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.401 1.667 -8.368 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.191 2.622 -6.881 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.183 1.716 -7.558 1.00 0.00 H new ATOM 834 N ASP A 52 -1.133 -2.960 -5.192 1.00 0.00 N ATOM 835 CA ASP A 52 -0.831 -4.186 -5.923 1.00 0.00 C ATOM 836 C ASP A 52 -1.390 -4.104 -7.338 1.00 0.00 C ATOM 837 O ASP A 52 -2.544 -4.457 -7.583 1.00 0.00 O ATOM 838 CB ASP A 52 -1.422 -5.396 -5.197 1.00 0.00 C ATOM 839 CG ASP A 52 -0.531 -6.618 -5.281 1.00 0.00 C ATOM 840 OD1 ASP A 52 0.431 -6.707 -4.488 1.00 0.00 O ATOM 841 OD2 ASP A 52 -0.792 -7.487 -6.139 1.00 0.00 O ATOM 0 H ASP A 52 -2.042 -2.962 -4.728 1.00 0.00 H new ATOM 0 HA ASP A 52 0.251 -4.302 -5.976 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.586 -5.142 -4.150 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.397 -5.631 -5.625 1.00 0.00 H new ATOM 846 N VAL A 53 -0.569 -3.620 -8.263 1.00 0.00 N ATOM 847 CA VAL A 53 -0.979 -3.469 -9.654 1.00 0.00 C ATOM 848 C VAL A 53 -1.204 -4.823 -10.328 1.00 0.00 C ATOM 849 O VAL A 53 -0.460 -5.210 -11.228 1.00 0.00 O ATOM 850 CB VAL A 53 0.065 -2.663 -10.454 1.00 0.00 C ATOM 851 CG1 VAL A 53 0.231 -1.275 -9.859 1.00 0.00 C ATOM 852 CG2 VAL A 53 1.402 -3.391 -10.489 1.00 0.00 C ATOM 0 H VAL A 53 0.389 -3.324 -8.073 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.924 -2.925 -9.648 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.293 -2.563 -11.478 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.971 -0.719 -10.434 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.723 -0.749 -9.890 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.565 -1.360 -8.825 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.122 -2.803 -11.059 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.769 -3.527 -9.472 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.274 -4.365 -10.962 1.00 0.00 H new ATOM 862 N TRP A 54 -2.243 -5.536 -9.898 1.00 0.00 N ATOM 863 CA TRP A 54 -2.558 -6.836 -10.479 1.00 0.00 C ATOM 864 C TRP A 54 -3.012 -6.670 -11.932 1.00 0.00 C ATOM 865 O TRP A 54 -2.183 -6.562 -12.836 1.00 0.00 O ATOM 866 CB TRP A 54 -3.630 -7.549 -9.644 1.00 0.00 C ATOM 867 CG TRP A 54 -4.178 -8.779 -10.303 1.00 0.00 C ATOM 868 CD1 TRP A 54 -3.480 -9.893 -10.668 1.00 0.00 C ATOM 869 CD2 TRP A 54 -5.538 -9.013 -10.687 1.00 0.00 C ATOM 870 NE1 TRP A 54 -4.324 -10.805 -11.253 1.00 0.00 N ATOM 871 CE2 TRP A 54 -5.592 -10.290 -11.275 1.00 0.00 C ATOM 872 CE3 TRP A 54 -6.716 -8.268 -10.588 1.00 0.00 C ATOM 873 CZ2 TRP A 54 -6.775 -10.837 -11.763 1.00 0.00 C ATOM 874 CZ3 TRP A 54 -7.892 -8.812 -11.072 1.00 0.00 C ATOM 875 CH2 TRP A 54 -7.913 -10.086 -11.653 1.00 0.00 C ATOM 0 H TRP A 54 -2.875 -5.237 -9.155 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.660 -7.453 -10.472 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.205 -7.822 -8.678 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.448 -6.856 -9.448 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.420 -10.037 -10.519 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.050 -11.719 -11.613 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -6.708 -7.285 -10.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -6.794 -11.819 -12.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -8.809 -8.245 -11.001 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -8.847 -10.484 -12.022 1.00 0.00 H new ATOM 886 N MET A 55 -4.325 -6.638 -12.155 1.00 0.00 N ATOM 887 CA MET A 55 -4.864 -6.470 -13.498 1.00 0.00 C ATOM 888 C MET A 55 -5.908 -5.348 -13.542 1.00 0.00 C ATOM 889 O MET A 55 -6.945 -5.485 -14.192 1.00 0.00 O ATOM 890 CB MET A 55 -5.483 -7.784 -13.985 1.00 0.00 C ATOM 891 CG MET A 55 -4.973 -8.229 -15.347 1.00 0.00 C ATOM 892 SD MET A 55 -5.192 -6.968 -16.618 1.00 0.00 S ATOM 893 CE MET A 55 -4.202 -7.649 -17.945 1.00 0.00 C ATOM 0 H MET A 55 -5.031 -6.726 -11.424 1.00 0.00 H new ATOM 0 HA MET A 55 -4.043 -6.193 -14.159 1.00 0.00 H new ATOM 0 HB2 MET A 55 -5.275 -8.566 -13.255 1.00 0.00 H new ATOM 0 HB3 MET A 55 -6.566 -7.671 -14.031 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.915 -8.481 -15.270 1.00 0.00 H new ATOM 0 HG3 MET A 55 -5.496 -9.137 -15.648 1.00 0.00 H new ATOM 0 HE1 MET A 55 -4.237 -6.981 -18.805 1.00 0.00 H new ATOM 0 HE2 MET A 55 -3.170 -7.756 -17.611 1.00 0.00 H new ATOM 0 HE3 MET A 55 -4.595 -8.626 -18.228 1.00 0.00 H new ATOM 903 N PRO A 56 -5.653 -4.217 -12.853 1.00 0.00 N ATOM 904 CA PRO A 56 -6.581 -3.084 -12.828 1.00 0.00 C ATOM 905 C PRO A 56 -6.467 -2.215 -14.077 1.00 0.00 C ATOM 906 O PRO A 56 -5.862 -2.618 -15.071 1.00 0.00 O ATOM 907 CB PRO A 56 -6.130 -2.306 -11.596 1.00 0.00 C ATOM 908 CG PRO A 56 -4.662 -2.544 -11.534 1.00 0.00 C ATOM 909 CD PRO A 56 -4.444 -3.946 -12.043 1.00 0.00 C ATOM 0 HA PRO A 56 -7.623 -3.402 -12.799 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.358 -1.244 -11.689 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.630 -2.661 -10.695 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.124 -1.819 -12.145 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.293 -2.438 -10.514 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.536 -4.018 -12.642 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.343 -4.658 -11.224 1.00 0.00 H new ATOM 917 N ASP A 57 -7.049 -1.022 -14.020 1.00 0.00 N ATOM 918 CA ASP A 57 -7.008 -0.097 -15.147 1.00 0.00 C ATOM 919 C ASP A 57 -7.046 1.352 -14.667 1.00 0.00 C ATOM 920 O ASP A 57 -7.805 2.169 -15.188 1.00 0.00 O ATOM 921 CB ASP A 57 -8.177 -0.366 -16.096 1.00 0.00 C ATOM 922 CG ASP A 57 -8.119 0.496 -17.341 1.00 0.00 C ATOM 923 OD1 ASP A 57 -7.001 0.751 -17.835 1.00 0.00 O ATOM 924 OD2 ASP A 57 -9.193 0.915 -17.823 1.00 0.00 O ATOM 0 H ASP A 57 -7.555 -0.673 -13.206 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.072 -0.256 -15.682 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.173 -1.417 -16.384 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -9.116 -0.182 -15.573 1.00 0.00 H new ATOM 929 N GLY A 58 -6.222 1.663 -13.669 1.00 0.00 N ATOM 930 CA GLY A 58 -6.178 3.013 -13.138 1.00 0.00 C ATOM 931 C GLY A 58 -4.800 3.636 -13.251 1.00 0.00 C ATOM 932 O GLY A 58 -3.869 3.013 -13.760 1.00 0.00 O ATOM 0 H GLY A 58 -5.585 1.005 -13.220 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.899 3.633 -13.671 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.482 2.999 -12.091 1.00 0.00 H new ATOM 936 N ASP A 59 -4.670 4.871 -12.774 1.00 0.00 N ATOM 937 CA ASP A 59 -3.396 5.580 -12.824 1.00 0.00 C ATOM 938 C ASP A 59 -2.742 5.621 -11.448 1.00 0.00 C ATOM 939 O ASP A 59 -3.043 6.491 -10.631 1.00 0.00 O ATOM 940 CB ASP A 59 -3.601 7.003 -13.345 1.00 0.00 C ATOM 941 CG ASP A 59 -4.347 7.035 -14.665 1.00 0.00 C ATOM 942 OD1 ASP A 59 -3.782 6.571 -15.678 1.00 0.00 O ATOM 943 OD2 ASP A 59 -5.497 7.523 -14.684 1.00 0.00 O ATOM 0 H ASP A 59 -5.431 5.401 -12.349 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.736 5.042 -13.505 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.153 7.582 -12.605 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.631 7.485 -13.467 1.00 0.00 H new ATOM 948 N GLY A 60 -1.844 4.673 -11.196 1.00 0.00 N ATOM 949 CA GLY A 60 -1.160 4.619 -9.918 1.00 0.00 C ATOM 950 C GLY A 60 -0.125 5.717 -9.766 1.00 0.00 C ATOM 951 O GLY A 60 0.136 6.184 -8.658 1.00 0.00 O ATOM 0 H GLY A 60 -1.578 3.941 -11.855 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.892 4.700 -9.114 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.674 3.649 -9.810 1.00 0.00 H new ATOM 955 N VAL A 61 0.464 6.129 -10.884 1.00 0.00 N ATOM 956 CA VAL A 61 1.475 7.174 -10.879 1.00 0.00 C ATOM 957 C VAL A 61 0.949 8.452 -10.236 1.00 0.00 C ATOM 958 O VAL A 61 1.633 9.082 -9.429 1.00 0.00 O ATOM 959 CB VAL A 61 1.943 7.489 -12.310 1.00 0.00 C ATOM 960 CG1 VAL A 61 3.126 8.437 -12.281 1.00 0.00 C ATOM 961 CG2 VAL A 61 2.292 6.209 -13.055 1.00 0.00 C ATOM 0 H VAL A 61 0.255 5.751 -11.808 1.00 0.00 H new ATOM 0 HA VAL A 61 2.316 6.803 -10.294 1.00 0.00 H new ATOM 0 HB VAL A 61 1.126 7.976 -12.842 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.446 8.651 -13.301 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.836 9.366 -11.790 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.947 7.977 -11.732 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.621 6.454 -14.065 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.092 5.689 -12.529 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.413 5.566 -13.105 1.00 0.00 H new ATOM 971 N ASN A 62 -0.271 8.832 -10.602 1.00 0.00 N ATOM 972 CA ASN A 62 -0.889 10.037 -10.062 1.00 0.00 C ATOM 973 C ASN A 62 -1.528 9.776 -8.696 1.00 0.00 C ATOM 974 O ASN A 62 -2.128 10.674 -8.105 1.00 0.00 O ATOM 975 CB ASN A 62 -1.942 10.571 -11.037 1.00 0.00 C ATOM 976 CG ASN A 62 -1.657 11.994 -11.476 1.00 0.00 C ATOM 977 OD1 ASN A 62 -2.267 12.941 -10.983 1.00 0.00 O ATOM 978 ND2 ASN A 62 -0.723 12.149 -12.407 1.00 0.00 N ATOM 0 H ASN A 62 -0.850 8.323 -11.270 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.105 10.783 -9.930 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.982 9.925 -11.914 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.924 10.529 -10.565 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.486 13.083 -12.741 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.242 11.334 -12.788 1.00 0.00 H new ATOM 985 N PHE A 63 -1.399 8.548 -8.198 1.00 0.00 N ATOM 986 CA PHE A 63 -1.970 8.190 -6.904 1.00 0.00 C ATOM 987 C PHE A 63 -0.988 8.477 -5.772 1.00 0.00 C ATOM 988 O PHE A 63 -1.385 8.888 -4.683 1.00 0.00 O ATOM 989 CB PHE A 63 -2.368 6.713 -6.884 1.00 0.00 C ATOM 990 CG PHE A 63 -3.163 6.330 -5.669 1.00 0.00 C ATOM 991 CD1 PHE A 63 -4.191 7.140 -5.216 1.00 0.00 C ATOM 992 CD2 PHE A 63 -2.879 5.162 -4.978 1.00 0.00 C ATOM 993 CE1 PHE A 63 -4.923 6.794 -4.097 1.00 0.00 C ATOM 994 CE2 PHE A 63 -3.609 4.811 -3.858 1.00 0.00 C ATOM 995 CZ PHE A 63 -4.631 5.628 -3.417 1.00 0.00 C ATOM 0 H PHE A 63 -0.907 7.789 -8.669 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.860 8.801 -6.752 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -2.951 6.489 -7.777 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.468 6.100 -6.929 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.423 8.053 -5.744 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.080 4.520 -5.318 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.722 7.434 -3.754 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.380 3.898 -3.328 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.201 5.356 -2.541 1.00 0.00 H new ATOM 1005 N ILE A 64 0.299 8.257 -6.037 1.00 0.00 N ATOM 1006 CA ILE A 64 1.339 8.491 -5.039 1.00 0.00 C ATOM 1007 C ILE A 64 1.162 9.852 -4.367 1.00 0.00 C ATOM 1008 O ILE A 64 1.530 10.033 -3.207 1.00 0.00 O ATOM 1009 CB ILE A 64 2.747 8.412 -5.669 1.00 0.00 C ATOM 1010 CG1 ILE A 64 2.979 7.028 -6.281 1.00 0.00 C ATOM 1011 CG2 ILE A 64 3.819 8.724 -4.633 1.00 0.00 C ATOM 1012 CD1 ILE A 64 2.958 7.023 -7.794 1.00 0.00 C ATOM 0 H ILE A 64 0.645 7.917 -6.934 1.00 0.00 H new ATOM 0 HA ILE A 64 1.243 7.707 -4.287 1.00 0.00 H new ATOM 0 HB ILE A 64 2.812 9.158 -6.461 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.940 6.645 -5.938 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.214 6.344 -5.913 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.803 8.663 -5.098 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.665 9.729 -4.241 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.758 8.003 -3.817 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.129 6.010 -8.157 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.988 7.375 -8.146 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.741 7.680 -8.171 1.00 0.00 H new ATOM 1024 N ASP A 65 0.591 10.801 -5.101 1.00 0.00 N ATOM 1025 CA ASP A 65 0.362 12.138 -4.570 1.00 0.00 C ATOM 1026 C ASP A 65 -0.862 12.153 -3.662 1.00 0.00 C ATOM 1027 O ASP A 65 -0.891 12.862 -2.657 1.00 0.00 O ATOM 1028 CB ASP A 65 0.184 13.143 -5.710 1.00 0.00 C ATOM 1029 CG ASP A 65 0.784 14.497 -5.387 1.00 0.00 C ATOM 1030 OD1 ASP A 65 0.417 15.075 -4.343 1.00 0.00 O ATOM 1031 OD2 ASP A 65 1.621 14.979 -6.180 1.00 0.00 O ATOM 0 H ASP A 65 0.279 10.669 -6.063 1.00 0.00 H new ATOM 0 HA ASP A 65 1.234 12.425 -3.982 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.649 12.749 -6.614 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.878 13.261 -5.924 1.00 0.00 H new ATOM 1036 N PHE A 66 -1.868 11.359 -4.018 1.00 0.00 N ATOM 1037 CA PHE A 66 -3.090 11.278 -3.228 1.00 0.00 C ATOM 1038 C PHE A 66 -2.773 10.836 -1.804 1.00 0.00 C ATOM 1039 O PHE A 66 -3.326 11.366 -0.839 1.00 0.00 O ATOM 1040 CB PHE A 66 -4.076 10.304 -3.872 1.00 0.00 C ATOM 1041 CG PHE A 66 -5.437 10.315 -3.233 1.00 0.00 C ATOM 1042 CD1 PHE A 66 -5.619 9.823 -1.951 1.00 0.00 C ATOM 1043 CD2 PHE A 66 -6.532 10.815 -3.918 1.00 0.00 C ATOM 1044 CE1 PHE A 66 -6.869 9.833 -1.362 1.00 0.00 C ATOM 1045 CE2 PHE A 66 -7.785 10.826 -3.334 1.00 0.00 C ATOM 1046 CZ PHE A 66 -7.954 10.335 -2.056 1.00 0.00 C ATOM 0 H PHE A 66 -1.860 10.764 -4.847 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.546 12.268 -3.195 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.178 10.549 -4.929 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.666 9.296 -3.817 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.775 9.427 -1.406 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.406 11.200 -4.919 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.998 9.449 -0.361 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.631 11.219 -3.878 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.932 10.343 -1.598 1.00 0.00 H new ATOM 1056 N ILE A 67 -1.872 9.867 -1.681 1.00 0.00 N ATOM 1057 CA ILE A 67 -1.470 9.359 -0.376 1.00 0.00 C ATOM 1058 C ILE A 67 -0.832 10.471 0.454 1.00 0.00 C ATOM 1059 O ILE A 67 -1.152 10.644 1.629 1.00 0.00 O ATOM 1060 CB ILE A 67 -0.485 8.175 -0.513 1.00 0.00 C ATOM 1061 CG1 ILE A 67 -1.214 6.939 -1.045 1.00 0.00 C ATOM 1062 CG2 ILE A 67 0.179 7.861 0.824 1.00 0.00 C ATOM 1063 CD1 ILE A 67 -1.527 7.008 -2.523 1.00 0.00 C ATOM 0 H ILE A 67 -1.407 9.418 -2.470 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.366 9.001 0.131 1.00 0.00 H new ATOM 0 HB ILE A 67 0.293 8.459 -1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.603 6.057 -0.853 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.144 6.810 -0.491 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.867 7.025 0.701 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.729 8.736 1.171 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.584 7.598 1.556 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.043 6.098 -2.828 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.164 7.870 -2.720 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.599 7.106 -3.087 1.00 0.00 H new ATOM 1075 N LYS A 68 0.064 11.228 -0.171 1.00 0.00 N ATOM 1076 CA LYS A 68 0.736 12.329 0.509 1.00 0.00 C ATOM 1077 C LYS A 68 -0.193 13.534 0.636 1.00 0.00 C ATOM 1078 O LYS A 68 0.020 14.409 1.477 1.00 0.00 O ATOM 1079 CB LYS A 68 2.006 12.725 -0.245 1.00 0.00 C ATOM 1080 CG LYS A 68 2.850 11.537 -0.684 1.00 0.00 C ATOM 1081 CD LYS A 68 4.188 11.501 0.038 1.00 0.00 C ATOM 1082 CE LYS A 68 5.227 12.351 -0.675 1.00 0.00 C ATOM 1083 NZ LYS A 68 6.425 12.592 0.176 1.00 0.00 N ATOM 0 H LYS A 68 0.341 11.100 -1.144 1.00 0.00 H new ATOM 0 HA LYS A 68 1.009 11.994 1.510 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.730 13.308 -1.124 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.609 13.373 0.391 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.306 10.613 -0.489 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.018 11.588 -1.760 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.061 11.860 1.060 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.540 10.472 0.103 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.530 11.856 -1.597 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.784 13.306 -0.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.110 13.175 -0.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.140 13.087 1.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.863 11.682 0.424 1.00 0.00 H new ATOM 1097 N GLU A 69 -1.228 13.572 -0.200 1.00 0.00 N ATOM 1098 CA GLU A 69 -2.192 14.665 -0.178 1.00 0.00 C ATOM 1099 C GLU A 69 -3.023 14.629 1.099 1.00 0.00 C ATOM 1100 O GLU A 69 -3.280 15.662 1.714 1.00 0.00 O ATOM 1101 CB GLU A 69 -3.108 14.587 -1.398 1.00 0.00 C ATOM 1102 CG GLU A 69 -3.873 15.872 -1.669 1.00 0.00 C ATOM 1103 CD GLU A 69 -4.840 15.742 -2.828 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -4.428 15.235 -3.892 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -6.012 16.147 -2.672 1.00 0.00 O ATOM 0 H GLU A 69 -1.419 12.857 -0.901 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.641 15.605 -0.206 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.510 14.338 -2.275 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.820 13.774 -1.256 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.423 16.159 -0.773 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.165 16.674 -1.879 1.00 0.00 H new ATOM 1112 N ASN A 70 -3.438 13.429 1.489 1.00 0.00 N ATOM 1113 CA ASN A 70 -4.242 13.251 2.695 1.00 0.00 C ATOM 1114 C ASN A 70 -3.530 12.354 3.706 1.00 0.00 C ATOM 1115 O ASN A 70 -4.146 11.861 4.651 1.00 0.00 O ATOM 1116 CB ASN A 70 -5.608 12.654 2.342 1.00 0.00 C ATOM 1117 CG ASN A 70 -6.147 13.174 1.023 1.00 0.00 C ATOM 1118 OD1 ASN A 70 -7.079 13.979 0.994 1.00 0.00 O ATOM 1119 ND2 ASN A 70 -5.562 12.715 -0.077 1.00 0.00 N ATOM 0 H ASN A 70 -3.232 12.564 0.989 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.385 14.232 3.148 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.525 11.568 2.294 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.318 12.884 3.137 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.882 13.029 -0.993 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.793 12.049 -0.006 1.00 0.00 H new ATOM 1126 N SER A 71 -2.231 12.148 3.506 1.00 0.00 N ATOM 1127 CA SER A 71 -1.443 11.312 4.404 1.00 0.00 C ATOM 1128 C SER A 71 0.051 11.560 4.205 1.00 0.00 C ATOM 1129 O SER A 71 0.779 10.690 3.726 1.00 0.00 O ATOM 1130 CB SER A 71 -1.770 9.832 4.176 1.00 0.00 C ATOM 1131 OG SER A 71 -2.522 9.304 5.254 1.00 0.00 O ATOM 0 H SER A 71 -1.703 12.549 2.731 1.00 0.00 H new ATOM 0 HA SER A 71 -1.700 11.576 5.430 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.330 9.719 3.248 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.846 9.266 4.061 1.00 0.00 H new ATOM 0 HG SER A 71 -2.191 8.409 5.476 1.00 0.00 H new ATOM 1137 N PRO A 72 0.532 12.761 4.571 1.00 0.00 N ATOM 1138 CA PRO A 72 1.944 13.125 4.431 1.00 0.00 C ATOM 1139 C PRO A 72 2.835 12.356 5.395 1.00 0.00 C ATOM 1140 O PRO A 72 4.043 12.236 5.188 1.00 0.00 O ATOM 1141 CB PRO A 72 1.977 14.628 4.752 1.00 0.00 C ATOM 1142 CG PRO A 72 0.551 15.068 4.778 1.00 0.00 C ATOM 1143 CD PRO A 72 -0.256 13.858 5.146 1.00 0.00 C ATOM 0 HA PRO A 72 2.322 12.888 3.437 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.461 14.813 5.711 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.542 15.177 3.999 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.404 15.869 5.503 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.247 15.458 3.807 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.365 13.756 6.226 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.261 13.898 4.727 1.00 0.00 H new ATOM 1151 N ASP A 73 2.224 11.836 6.445 1.00 0.00 N ATOM 1152 CA ASP A 73 2.944 11.068 7.454 1.00 0.00 C ATOM 1153 C ASP A 73 2.696 9.574 7.276 1.00 0.00 C ATOM 1154 O ASP A 73 2.749 8.805 8.237 1.00 0.00 O ATOM 1155 CB ASP A 73 2.523 11.507 8.855 1.00 0.00 C ATOM 1156 CG ASP A 73 3.520 11.086 9.918 1.00 0.00 C ATOM 1157 OD1 ASP A 73 4.388 10.239 9.618 1.00 0.00 O ATOM 1158 OD2 ASP A 73 3.433 11.606 11.051 1.00 0.00 O ATOM 0 H ASP A 73 1.224 11.931 6.624 1.00 0.00 H new ATOM 0 HA ASP A 73 4.010 11.257 7.330 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.411 12.591 8.875 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.547 11.082 9.088 1.00 0.00 H new ATOM 1163 N SER A 74 2.423 9.172 6.039 1.00 0.00 N ATOM 1164 CA SER A 74 2.164 7.773 5.721 1.00 0.00 C ATOM 1165 C SER A 74 3.346 7.173 4.958 1.00 0.00 C ATOM 1166 O SER A 74 4.465 7.680 5.042 1.00 0.00 O ATOM 1167 CB SER A 74 0.880 7.660 4.897 1.00 0.00 C ATOM 1168 OG SER A 74 0.582 6.309 4.588 1.00 0.00 O ATOM 0 H SER A 74 2.375 9.800 5.236 1.00 0.00 H new ATOM 0 HA SER A 74 2.038 7.214 6.648 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.050 8.100 5.451 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.986 8.231 3.975 1.00 0.00 H new ATOM 0 HG SER A 74 -0.371 6.141 4.742 1.00 0.00 H new ATOM 1174 N VAL A 75 3.096 6.106 4.204 1.00 0.00 N ATOM 1175 CA VAL A 75 4.149 5.473 3.424 1.00 0.00 C ATOM 1176 C VAL A 75 3.584 4.747 2.217 1.00 0.00 C ATOM 1177 O VAL A 75 2.559 4.089 2.302 1.00 0.00 O ATOM 1178 CB VAL A 75 4.968 4.475 4.257 1.00 0.00 C ATOM 1179 CG1 VAL A 75 6.105 3.917 3.410 1.00 0.00 C ATOM 1180 CG2 VAL A 75 5.503 5.140 5.515 1.00 0.00 C ATOM 0 H VAL A 75 2.180 5.666 4.118 1.00 0.00 H new ATOM 0 HA VAL A 75 4.804 6.280 3.095 1.00 0.00 H new ATOM 0 HB VAL A 75 4.323 3.652 4.566 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.686 3.209 4.001 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.694 3.409 2.538 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.750 4.733 3.084 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.080 4.417 6.091 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.143 5.978 5.239 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.670 5.502 6.117 1.00 0.00 H new ATOM 1190 N VAL A 76 4.256 4.890 1.086 1.00 0.00 N ATOM 1191 CA VAL A 76 3.807 4.256 -0.148 1.00 0.00 C ATOM 1192 C VAL A 76 4.856 3.292 -0.691 1.00 0.00 C ATOM 1193 O VAL A 76 5.898 3.711 -1.195 1.00 0.00 O ATOM 1194 CB VAL A 76 3.470 5.299 -1.230 1.00 0.00 C ATOM 1195 CG1 VAL A 76 2.750 4.642 -2.398 1.00 0.00 C ATOM 1196 CG2 VAL A 76 2.633 6.426 -0.644 1.00 0.00 C ATOM 0 H VAL A 76 5.112 5.437 0.994 1.00 0.00 H new ATOM 0 HA VAL A 76 2.904 3.698 0.099 1.00 0.00 H new ATOM 0 HB VAL A 76 4.402 5.726 -1.601 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.520 5.394 -3.153 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.389 3.874 -2.834 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.825 4.187 -2.045 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.405 7.153 -1.423 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.704 6.019 -0.244 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.189 6.914 0.156 1.00 0.00 H new ATOM 1206 N ILE A 77 4.568 1.998 -0.589 1.00 0.00 N ATOM 1207 CA ILE A 77 5.482 0.973 -1.074 1.00 0.00 C ATOM 1208 C ILE A 77 5.139 0.576 -2.508 1.00 0.00 C ATOM 1209 O ILE A 77 5.993 0.612 -3.393 1.00 0.00 O ATOM 1210 CB ILE A 77 5.453 -0.280 -0.174 1.00 0.00 C ATOM 1211 CG1 ILE A 77 5.803 0.097 1.268 1.00 0.00 C ATOM 1212 CG2 ILE A 77 6.414 -1.339 -0.697 1.00 0.00 C ATOM 1213 CD1 ILE A 77 7.224 0.590 1.437 1.00 0.00 C ATOM 0 H ILE A 77 3.709 1.636 -0.175 1.00 0.00 H new ATOM 0 HA ILE A 77 6.486 1.397 -1.048 1.00 0.00 H new ATOM 0 HB ILE A 77 4.446 -0.696 -0.191 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.116 0.871 1.609 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.650 -0.771 1.909 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.379 -2.214 -0.049 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.125 -1.625 -1.708 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.427 -0.937 -0.709 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.401 0.839 2.483 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.919 -0.190 1.127 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.377 1.477 0.823 1.00 0.00 H new ATOM 1225 N VAL A 78 3.881 0.202 -2.729 1.00 0.00 N ATOM 1226 CA VAL A 78 3.424 -0.195 -4.057 1.00 0.00 C ATOM 1227 C VAL A 78 4.296 -1.305 -4.633 1.00 0.00 C ATOM 1228 O VAL A 78 5.330 -1.043 -5.246 1.00 0.00 O ATOM 1229 CB VAL A 78 3.426 0.999 -5.030 1.00 0.00 C ATOM 1230 CG1 VAL A 78 2.790 0.613 -6.356 1.00 0.00 C ATOM 1231 CG2 VAL A 78 2.708 2.190 -4.413 1.00 0.00 C ATOM 0 H VAL A 78 3.162 0.166 -2.007 1.00 0.00 H new ATOM 0 HA VAL A 78 2.404 -0.562 -3.942 1.00 0.00 H new ATOM 0 HB VAL A 78 4.460 1.285 -5.222 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.802 1.471 -7.028 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.352 -0.207 -6.804 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.760 0.298 -6.188 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.719 3.025 -5.114 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.677 1.917 -4.190 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.213 2.483 -3.493 1.00 0.00 H new ATOM 1241 N ILE A 79 3.865 -2.546 -4.437 1.00 0.00 N ATOM 1242 CA ILE A 79 4.601 -3.699 -4.942 1.00 0.00 C ATOM 1243 C ILE A 79 4.038 -4.120 -6.303 1.00 0.00 C ATOM 1244 O ILE A 79 3.420 -3.311 -6.994 1.00 0.00 O ATOM 1245 CB ILE A 79 4.548 -4.890 -3.955 1.00 0.00 C ATOM 1246 CG1 ILE A 79 4.430 -4.391 -2.512 1.00 0.00 C ATOM 1247 CG2 ILE A 79 5.787 -5.765 -4.105 1.00 0.00 C ATOM 1248 CD1 ILE A 79 4.209 -5.499 -1.506 1.00 0.00 C ATOM 0 H ILE A 79 3.010 -2.779 -3.932 1.00 0.00 H new ATOM 0 HA ILE A 79 5.645 -3.407 -5.052 1.00 0.00 H new ATOM 0 HB ILE A 79 3.667 -5.487 -4.191 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.337 -3.848 -2.249 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.604 -3.682 -2.447 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.732 -6.597 -3.403 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.838 -6.152 -5.123 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.678 -5.173 -3.897 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.135 -5.073 -0.506 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.286 -6.028 -1.744 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.046 -6.196 -1.542 1.00 0.00 H new ATOM 1260 N THR A 80 4.244 -5.377 -6.690 1.00 0.00 N ATOM 1261 CA THR A 80 3.743 -5.868 -7.968 1.00 0.00 C ATOM 1262 C THR A 80 4.421 -5.146 -9.128 1.00 0.00 C ATOM 1263 O THR A 80 3.878 -4.189 -9.679 1.00 0.00 O ATOM 1264 CB THR A 80 2.224 -5.683 -8.047 1.00 0.00 C ATOM 1265 OG1 THR A 80 1.621 -5.953 -6.794 1.00 0.00 O ATOM 1266 CG2 THR A 80 1.564 -6.581 -9.070 1.00 0.00 C ATOM 0 H THR A 80 4.752 -6.069 -6.139 1.00 0.00 H new ATOM 0 HA THR A 80 3.975 -6.930 -8.042 1.00 0.00 H new ATOM 0 HB THR A 80 2.076 -4.645 -8.345 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.813 -6.877 -6.531 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.489 -6.399 -9.074 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.972 -6.368 -10.058 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.754 -7.624 -8.816 1.00 0.00 H new ATOM 1317 N VAL A 85 10.514 -2.921 -15.162 1.00 0.00 N ATOM 1318 CA VAL A 85 10.759 -2.099 -13.983 1.00 0.00 C ATOM 1319 C VAL A 85 10.637 -0.614 -14.312 1.00 0.00 C ATOM 1320 O VAL A 85 11.336 0.219 -13.734 1.00 0.00 O ATOM 1321 CB VAL A 85 12.154 -2.369 -13.388 1.00 0.00 C ATOM 1322 CG1 VAL A 85 12.294 -1.699 -12.029 1.00 0.00 C ATOM 1323 CG2 VAL A 85 12.410 -3.864 -13.280 1.00 0.00 C ATOM 0 HA VAL A 85 10.001 -2.369 -13.248 1.00 0.00 H new ATOM 0 HB VAL A 85 12.901 -1.943 -14.057 1.00 0.00 H new ATOM 0 HG11 VAL A 85 13.286 -1.901 -11.624 1.00 0.00 H new ATOM 0 HG12 VAL A 85 12.159 -0.623 -12.138 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.538 -2.093 -11.350 1.00 0.00 H new ATOM 0 HG21 VAL A 85 13.400 -4.034 -12.858 1.00 0.00 H new ATOM 0 HG22 VAL A 85 11.657 -4.316 -12.634 1.00 0.00 H new ATOM 0 HG23 VAL A 85 12.356 -4.315 -14.271 1.00 0.00 H new ATOM 1333 N ASP A 86 9.744 -0.289 -15.240 1.00 0.00 N ATOM 1334 CA ASP A 86 9.531 1.098 -15.641 1.00 0.00 C ATOM 1335 C ASP A 86 8.362 1.719 -14.881 1.00 0.00 C ATOM 1336 O ASP A 86 8.213 2.940 -14.851 1.00 0.00 O ATOM 1337 CB ASP A 86 9.280 1.184 -17.148 1.00 0.00 C ATOM 1338 CG ASP A 86 8.029 0.439 -17.571 1.00 0.00 C ATOM 1339 OD1 ASP A 86 7.905 -0.755 -17.228 1.00 0.00 O ATOM 1340 OD2 ASP A 86 7.175 1.050 -18.247 1.00 0.00 O ATOM 0 H ASP A 86 9.157 -0.965 -15.728 1.00 0.00 H new ATOM 0 HA ASP A 86 10.433 1.659 -15.397 1.00 0.00 H new ATOM 0 HB2 ASP A 86 9.192 2.231 -17.439 1.00 0.00 H new ATOM 0 HB3 ASP A 86 10.139 0.776 -17.680 1.00 0.00 H new ATOM 1345 N THR A 87 7.543 0.879 -14.252 1.00 0.00 N ATOM 1346 CA THR A 87 6.407 1.367 -13.481 1.00 0.00 C ATOM 1347 C THR A 87 6.867 1.771 -12.088 1.00 0.00 C ATOM 1348 O THR A 87 6.368 2.736 -11.508 1.00 0.00 O ATOM 1349 CB THR A 87 5.300 0.306 -13.407 1.00 0.00 C ATOM 1350 OG1 THR A 87 4.027 0.919 -13.308 1.00 0.00 O ATOM 1351 CG2 THR A 87 5.436 -0.650 -12.235 1.00 0.00 C ATOM 0 H THR A 87 7.645 -0.136 -14.262 1.00 0.00 H new ATOM 0 HA THR A 87 5.992 2.242 -13.981 1.00 0.00 H new ATOM 0 HB THR A 87 5.402 -0.268 -14.328 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.334 0.228 -13.264 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.616 -1.368 -12.254 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.385 -1.181 -12.307 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.405 -0.088 -11.302 1.00 0.00 H new ATOM 1359 N ALA A 88 7.840 1.032 -11.567 1.00 0.00 N ATOM 1360 CA ALA A 88 8.396 1.315 -10.255 1.00 0.00 C ATOM 1361 C ALA A 88 8.973 2.720 -10.224 1.00 0.00 C ATOM 1362 O ALA A 88 8.563 3.562 -9.426 1.00 0.00 O ATOM 1363 CB ALA A 88 9.477 0.302 -9.915 1.00 0.00 C ATOM 0 H ALA A 88 8.259 0.230 -12.038 1.00 0.00 H new ATOM 0 HA ALA A 88 7.600 1.244 -9.514 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.887 0.524 -8.930 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.049 -0.700 -9.913 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.272 0.355 -10.659 1.00 0.00 H new ATOM 1369 N VAL A 89 9.926 2.961 -11.115 1.00 0.00 N ATOM 1370 CA VAL A 89 10.572 4.259 -11.216 1.00 0.00 C ATOM 1371 C VAL A 89 9.553 5.364 -11.476 1.00 0.00 C ATOM 1372 O VAL A 89 9.758 6.515 -11.089 1.00 0.00 O ATOM 1373 CB VAL A 89 11.627 4.264 -12.341 1.00 0.00 C ATOM 1374 CG1 VAL A 89 12.645 3.158 -12.117 1.00 0.00 C ATOM 1375 CG2 VAL A 89 10.964 4.115 -13.704 1.00 0.00 C ATOM 0 H VAL A 89 10.269 2.269 -11.781 1.00 0.00 H new ATOM 0 HA VAL A 89 11.064 4.449 -10.262 1.00 0.00 H new ATOM 0 HB VAL A 89 12.147 5.222 -12.320 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.383 3.175 -12.919 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.145 3.312 -11.161 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.138 2.193 -12.110 1.00 0.00 H new ATOM 0 HG21 VAL A 89 11.727 4.121 -14.482 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.416 3.174 -13.741 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.274 4.943 -13.866 1.00 0.00 H new ATOM 1385 N LYS A 90 8.455 5.009 -12.137 1.00 0.00 N ATOM 1386 CA LYS A 90 7.407 5.973 -12.449 1.00 0.00 C ATOM 1387 C LYS A 90 6.570 6.308 -11.214 1.00 0.00 C ATOM 1388 O LYS A 90 5.716 7.193 -11.259 1.00 0.00 O ATOM 1389 CB LYS A 90 6.505 5.431 -13.556 1.00 0.00 C ATOM 1390 CG LYS A 90 5.510 6.450 -14.086 1.00 0.00 C ATOM 1391 CD LYS A 90 4.846 5.965 -15.365 1.00 0.00 C ATOM 1392 CE LYS A 90 5.812 5.986 -16.539 1.00 0.00 C ATOM 1393 NZ LYS A 90 6.319 4.624 -16.866 1.00 0.00 N ATOM 0 H LYS A 90 8.269 4.062 -12.466 1.00 0.00 H new ATOM 0 HA LYS A 90 7.889 6.889 -12.790 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.126 5.080 -14.380 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.960 4.566 -13.178 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.749 6.644 -13.330 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.020 7.395 -14.275 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.471 4.952 -15.220 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.985 6.594 -15.590 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.313 6.407 -17.412 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.652 6.640 -16.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.317 4.685 -17.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.235 4.012 -16.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.759 4.223 -17.645 1.00 0.00 H new ATOM 1407 N ALA A 91 6.815 5.599 -10.114 1.00 0.00 N ATOM 1408 CA ALA A 91 6.074 5.829 -8.879 1.00 0.00 C ATOM 1409 C ALA A 91 7.013 6.120 -7.713 1.00 0.00 C ATOM 1410 O ALA A 91 6.770 7.031 -6.921 1.00 0.00 O ATOM 1411 CB ALA A 91 5.195 4.628 -8.564 1.00 0.00 C ATOM 0 H ALA A 91 7.519 4.863 -10.054 1.00 0.00 H new ATOM 0 HA ALA A 91 5.442 6.705 -9.024 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.647 4.811 -7.640 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.489 4.470 -9.380 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.818 3.742 -8.446 1.00 0.00 H new ATOM 1417 N ILE A 92 8.083 5.339 -7.608 1.00 0.00 N ATOM 1418 CA ILE A 92 9.052 5.515 -6.531 1.00 0.00 C ATOM 1419 C ILE A 92 9.813 6.831 -6.691 1.00 0.00 C ATOM 1420 O ILE A 92 9.910 7.369 -7.793 1.00 0.00 O ATOM 1421 CB ILE A 92 10.046 4.327 -6.457 1.00 0.00 C ATOM 1422 CG1 ILE A 92 11.210 4.511 -7.436 1.00 0.00 C ATOM 1423 CG2 ILE A 92 9.326 3.015 -6.740 1.00 0.00 C ATOM 1424 CD1 ILE A 92 12.164 3.336 -7.464 1.00 0.00 C ATOM 0 H ILE A 92 8.301 4.580 -8.253 1.00 0.00 H new ATOM 0 HA ILE A 92 8.493 5.545 -5.596 1.00 0.00 H new ATOM 0 HB ILE A 92 10.456 4.298 -5.447 1.00 0.00 H new ATOM 0 HG12 ILE A 92 10.811 4.669 -8.438 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.762 5.411 -7.167 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.037 2.191 -6.684 1.00 0.00 H new ATOM 0 HG22 ILE A 92 8.538 2.865 -6.001 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.887 3.049 -7.737 1.00 0.00 H new ATOM 0 HD11 ILE A 92 12.964 3.533 -8.178 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.591 3.190 -6.472 1.00 0.00 H new ATOM 0 HD13 ILE A 92 11.625 2.437 -7.762 1.00 0.00 H new ATOM 1436 N LYS A 93 10.332 7.348 -5.577 1.00 0.00 N ATOM 1437 CA LYS A 93 11.073 8.613 -5.564 1.00 0.00 C ATOM 1438 C LYS A 93 10.115 9.799 -5.534 1.00 0.00 C ATOM 1439 O LYS A 93 10.280 10.723 -4.737 1.00 0.00 O ATOM 1440 CB LYS A 93 12.013 8.729 -6.771 1.00 0.00 C ATOM 1441 CG LYS A 93 12.916 7.521 -6.961 1.00 0.00 C ATOM 1442 CD LYS A 93 14.386 7.915 -6.982 1.00 0.00 C ATOM 1443 CE LYS A 93 14.948 7.893 -8.395 1.00 0.00 C ATOM 1444 NZ LYS A 93 14.857 9.227 -9.050 1.00 0.00 N ATOM 0 H LYS A 93 10.252 6.905 -4.661 1.00 0.00 H new ATOM 0 HA LYS A 93 11.681 8.624 -4.659 1.00 0.00 H new ATOM 0 HB2 LYS A 93 11.417 8.871 -7.672 1.00 0.00 H new ATOM 0 HB3 LYS A 93 12.631 9.619 -6.654 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.742 6.807 -6.156 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.660 7.019 -7.894 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.503 8.912 -6.558 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.956 7.232 -6.352 1.00 0.00 H new ATOM 0 HE2 LYS A 93 15.990 7.573 -8.366 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.405 7.159 -8.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 15.250 9.169 -10.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.861 9.522 -9.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 15.396 9.923 -8.496 1.00 0.00 H new ATOM 1458 N LYS A 94 9.107 9.762 -6.400 1.00 0.00 N ATOM 1459 CA LYS A 94 8.115 10.828 -6.466 1.00 0.00 C ATOM 1460 C LYS A 94 7.300 10.895 -5.176 1.00 0.00 C ATOM 1461 O LYS A 94 6.635 11.894 -4.903 1.00 0.00 O ATOM 1462 CB LYS A 94 7.183 10.609 -7.657 1.00 0.00 C ATOM 1463 CG LYS A 94 7.874 10.746 -9.004 1.00 0.00 C ATOM 1464 CD LYS A 94 6.984 11.444 -10.019 1.00 0.00 C ATOM 1465 CE LYS A 94 6.728 12.891 -9.632 1.00 0.00 C ATOM 1466 NZ LYS A 94 7.608 13.831 -10.382 1.00 0.00 N ATOM 0 H LYS A 94 8.956 9.004 -7.066 1.00 0.00 H new ATOM 0 HA LYS A 94 8.642 11.774 -6.592 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.741 9.615 -7.584 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.364 11.326 -7.604 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.800 11.308 -8.883 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.147 9.758 -9.376 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.453 11.407 -11.002 1.00 0.00 H new ATOM 0 HD3 LYS A 94 6.035 10.914 -10.098 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.684 13.139 -9.825 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.893 13.015 -8.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.402 14.808 -10.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.604 13.611 -10.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.433 13.731 -11.402 1.00 0.00 H new ATOM 1480 N GLY A 95 7.355 9.825 -4.387 1.00 0.00 N ATOM 1481 CA GLY A 95 6.617 9.786 -3.139 1.00 0.00 C ATOM 1482 C GLY A 95 6.715 8.443 -2.440 1.00 0.00 C ATOM 1483 O GLY A 95 6.636 8.368 -1.215 1.00 0.00 O ATOM 0 H GLY A 95 7.897 8.986 -4.591 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.993 10.564 -2.475 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.569 10.013 -3.335 1.00 0.00 H new ATOM 1487 N ALA A 96 6.887 7.377 -3.219 1.00 0.00 N ATOM 1488 CA ALA A 96 6.993 6.037 -2.662 1.00 0.00 C ATOM 1489 C ALA A 96 8.348 5.817 -2.004 1.00 0.00 C ATOM 1490 O ALA A 96 9.220 6.686 -2.042 1.00 0.00 O ATOM 1491 CB ALA A 96 6.752 4.993 -3.743 1.00 0.00 C ATOM 0 H ALA A 96 6.955 7.418 -4.236 1.00 0.00 H new ATOM 0 HA ALA A 96 6.227 5.932 -1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.835 3.996 -3.311 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.754 5.126 -4.161 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.494 5.109 -4.533 1.00 0.00 H new ATOM 1497 N TYR A 97 8.514 4.649 -1.399 1.00 0.00 N ATOM 1498 CA TYR A 97 9.760 4.302 -0.727 1.00 0.00 C ATOM 1499 C TYR A 97 10.604 3.357 -1.587 1.00 0.00 C ATOM 1500 O TYR A 97 11.759 3.092 -1.260 1.00 0.00 O ATOM 1501 CB TYR A 97 9.453 3.674 0.640 1.00 0.00 C ATOM 1502 CG TYR A 97 10.565 2.811 1.200 1.00 0.00 C ATOM 1503 CD1 TYR A 97 11.697 3.384 1.766 1.00 0.00 C ATOM 1504 CD2 TYR A 97 10.478 1.425 1.164 1.00 0.00 C ATOM 1505 CE1 TYR A 97 12.712 2.600 2.280 1.00 0.00 C ATOM 1506 CE2 TYR A 97 11.488 0.634 1.678 1.00 0.00 C ATOM 1507 CZ TYR A 97 12.602 1.225 2.234 1.00 0.00 C ATOM 1508 OH TYR A 97 13.610 0.440 2.747 1.00 0.00 O ATOM 0 H TYR A 97 7.799 3.923 -1.359 1.00 0.00 H new ATOM 0 HA TYR A 97 10.341 5.211 -0.574 1.00 0.00 H new ATOM 0 HB2 TYR A 97 9.236 4.471 1.351 1.00 0.00 H new ATOM 0 HB3 TYR A 97 8.550 3.070 0.553 1.00 0.00 H new ATOM 0 HD1 TYR A 97 11.785 4.460 1.805 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.607 0.958 0.727 1.00 0.00 H new ATOM 0 HE1 TYR A 97 13.587 3.061 2.715 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.405 -0.442 1.644 1.00 0.00 H new ATOM 0 HH TYR A 97 13.377 -0.505 2.637 1.00 0.00 H new ATOM 1518 N GLU A 98 10.008 2.866 -2.684 1.00 0.00 N ATOM 1519 CA GLU A 98 10.664 1.946 -3.631 1.00 0.00 C ATOM 1520 C GLU A 98 9.703 0.831 -4.033 1.00 0.00 C ATOM 1521 O GLU A 98 8.612 0.709 -3.475 1.00 0.00 O ATOM 1522 CB GLU A 98 11.942 1.317 -3.056 1.00 0.00 C ATOM 1523 CG GLU A 98 11.705 0.472 -1.814 1.00 0.00 C ATOM 1524 CD GLU A 98 12.933 0.376 -0.932 1.00 0.00 C ATOM 1525 OE1 GLU A 98 13.702 1.358 -0.876 1.00 0.00 O ATOM 1526 OE2 GLU A 98 13.127 -0.682 -0.297 1.00 0.00 O ATOM 0 H GLU A 98 9.049 3.097 -2.943 1.00 0.00 H new ATOM 0 HA GLU A 98 10.944 2.541 -4.500 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.407 0.697 -3.822 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.649 2.110 -2.815 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.882 0.899 -1.240 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.398 -0.530 -2.114 1.00 0.00 H new ATOM 1533 N PHE A 99 10.117 0.017 -4.998 1.00 0.00 N ATOM 1534 CA PHE A 99 9.294 -1.091 -5.467 1.00 0.00 C ATOM 1535 C PHE A 99 9.809 -2.415 -4.912 1.00 0.00 C ATOM 1536 O PHE A 99 10.737 -3.009 -5.460 1.00 0.00 O ATOM 1537 CB PHE A 99 9.280 -1.135 -6.995 1.00 0.00 C ATOM 1538 CG PHE A 99 7.913 -0.952 -7.593 1.00 0.00 C ATOM 1539 CD1 PHE A 99 7.172 0.188 -7.326 1.00 0.00 C ATOM 1540 CD2 PHE A 99 7.371 -1.920 -8.425 1.00 0.00 C ATOM 1541 CE1 PHE A 99 5.916 0.360 -7.879 1.00 0.00 C ATOM 1542 CE2 PHE A 99 6.117 -1.753 -8.981 1.00 0.00 C ATOM 1543 CZ PHE A 99 5.388 -0.612 -8.706 1.00 0.00 C ATOM 0 H PHE A 99 11.017 0.104 -5.470 1.00 0.00 H new ATOM 0 HA PHE A 99 8.276 -0.935 -5.109 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.941 -0.358 -7.378 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.686 -2.091 -7.326 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.580 0.951 -6.679 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.936 -2.815 -8.641 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.349 1.254 -7.664 1.00 0.00 H new ATOM 0 HE2 PHE A 99 5.707 -2.513 -9.630 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.407 -0.480 -9.137 1.00 0.00 H new ATOM 1553 N LEU A 100 9.201 -2.869 -3.822 1.00 0.00 N ATOM 1554 CA LEU A 100 9.594 -4.118 -3.189 1.00 0.00 C ATOM 1555 C LEU A 100 9.558 -5.277 -4.181 1.00 0.00 C ATOM 1556 O LEU A 100 8.534 -5.942 -4.339 1.00 0.00 O ATOM 1557 CB LEU A 100 8.665 -4.405 -2.012 1.00 0.00 C ATOM 1558 CG LEU A 100 9.088 -5.560 -1.108 1.00 0.00 C ATOM 1559 CD1 LEU A 100 10.567 -5.463 -0.760 1.00 0.00 C ATOM 1560 CD2 LEU A 100 8.242 -5.564 0.151 1.00 0.00 C ATOM 0 H LEU A 100 8.431 -2.387 -3.358 1.00 0.00 H new ATOM 0 HA LEU A 100 10.619 -4.017 -2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.585 -3.503 -1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.669 -4.617 -2.401 1.00 0.00 H new ATOM 0 HG LEU A 100 8.931 -6.497 -1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.844 -6.297 -0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 100 11.159 -5.499 -1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 100 10.758 -4.524 -0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.548 -6.390 0.792 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.377 -4.622 0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.192 -5.682 -0.117 1.00 0.00 H new ATOM 1572 N GLU A 101 10.683 -5.510 -4.849 1.00 0.00 N ATOM 1573 CA GLU A 101 10.783 -6.586 -5.830 1.00 0.00 C ATOM 1574 C GLU A 101 11.756 -7.671 -5.367 1.00 0.00 C ATOM 1575 O GLU A 101 11.728 -8.794 -5.870 1.00 0.00 O ATOM 1576 CB GLU A 101 11.233 -6.028 -7.181 1.00 0.00 C ATOM 1577 CG GLU A 101 10.083 -5.590 -8.073 1.00 0.00 C ATOM 1578 CD GLU A 101 10.458 -5.569 -9.541 1.00 0.00 C ATOM 1579 OE1 GLU A 101 11.366 -6.334 -9.933 1.00 0.00 O ATOM 1580 OE2 GLU A 101 9.846 -4.789 -10.300 1.00 0.00 O ATOM 0 H GLU A 101 11.539 -4.968 -4.729 1.00 0.00 H new ATOM 0 HA GLU A 101 9.796 -7.036 -5.935 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.894 -5.178 -7.011 1.00 0.00 H new ATOM 0 HB3 GLU A 101 11.817 -6.787 -7.702 1.00 0.00 H new ATOM 0 HG2 GLU A 101 9.238 -6.264 -7.927 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.753 -4.596 -7.772 1.00 0.00 H new ATOM 1654 N VAL A 106 6.122 -12.705 0.722 1.00 0.00 N ATOM 1655 CA VAL A 106 5.665 -11.604 1.564 1.00 0.00 C ATOM 1656 C VAL A 106 6.477 -11.526 2.857 1.00 0.00 C ATOM 1657 O VAL A 106 6.765 -10.438 3.353 1.00 0.00 O ATOM 1658 CB VAL A 106 4.171 -11.749 1.912 1.00 0.00 C ATOM 1659 CG1 VAL A 106 3.919 -13.059 2.641 1.00 0.00 C ATOM 1660 CG2 VAL A 106 3.690 -10.565 2.740 1.00 0.00 C ATOM 0 HA VAL A 106 5.809 -10.686 0.994 1.00 0.00 H new ATOM 0 HB VAL A 106 3.602 -11.761 0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.859 -13.145 2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.217 -13.893 2.005 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.501 -13.080 3.563 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.633 -10.690 2.973 1.00 0.00 H new ATOM 0 HG22 VAL A 106 4.262 -10.512 3.666 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.830 -9.644 2.174 1.00 0.00 H new ATOM 1670 N GLU A 107 6.827 -12.691 3.402 1.00 0.00 N ATOM 1671 CA GLU A 107 7.595 -12.774 4.646 1.00 0.00 C ATOM 1672 C GLU A 107 8.631 -11.655 4.759 1.00 0.00 C ATOM 1673 O GLU A 107 8.769 -11.030 5.811 1.00 0.00 O ATOM 1674 CB GLU A 107 8.289 -14.131 4.739 1.00 0.00 C ATOM 1675 CG GLU A 107 8.747 -14.482 6.144 1.00 0.00 C ATOM 1676 CD GLU A 107 10.074 -15.213 6.159 1.00 0.00 C ATOM 1677 OE1 GLU A 107 10.875 -15.010 5.222 1.00 0.00 O ATOM 1678 OE2 GLU A 107 10.314 -15.990 7.107 1.00 0.00 O ATOM 0 H GLU A 107 6.589 -13.597 2.998 1.00 0.00 H new ATOM 0 HA GLU A 107 6.893 -12.658 5.472 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.607 -14.904 4.384 1.00 0.00 H new ATOM 0 HB3 GLU A 107 9.151 -14.136 4.072 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.833 -13.569 6.733 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.990 -15.101 6.625 1.00 0.00 H new ATOM 1685 N ARG A 108 9.353 -11.404 3.671 1.00 0.00 N ATOM 1686 CA ARG A 108 10.370 -10.356 3.656 1.00 0.00 C ATOM 1687 C ARG A 108 9.728 -8.979 3.783 1.00 0.00 C ATOM 1688 O ARG A 108 10.217 -8.118 4.516 1.00 0.00 O ATOM 1689 CB ARG A 108 11.193 -10.431 2.369 1.00 0.00 C ATOM 1690 CG ARG A 108 12.484 -9.629 2.426 1.00 0.00 C ATOM 1691 CD ARG A 108 13.701 -10.530 2.561 1.00 0.00 C ATOM 1692 NE ARG A 108 14.741 -10.194 1.590 1.00 0.00 N ATOM 1693 CZ ARG A 108 16.017 -10.550 1.716 1.00 0.00 C ATOM 1694 NH1 ARG A 108 16.416 -11.255 2.768 1.00 0.00 N ATOM 1695 NH2 ARG A 108 16.897 -10.203 0.787 1.00 0.00 N ATOM 0 H ARG A 108 9.254 -11.910 2.791 1.00 0.00 H new ATOM 0 HA ARG A 108 11.031 -10.512 4.509 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.432 -11.474 2.160 1.00 0.00 H new ATOM 0 HB3 ARG A 108 10.587 -10.070 1.538 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.577 -9.025 1.524 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.447 -8.939 3.269 1.00 0.00 H new ATOM 0 HD2 ARG A 108 14.105 -10.445 3.570 1.00 0.00 H new ATOM 0 HD3 ARG A 108 13.400 -11.569 2.425 1.00 0.00 H new ATOM 0 HE ARG A 108 14.473 -9.655 0.767 1.00 0.00 H new ATOM 0 HH11 ARG A 108 15.743 -11.527 3.485 1.00 0.00 H new ATOM 0 HH12 ARG A 108 17.395 -11.525 2.859 1.00 0.00 H new ATOM 0 HH21 ARG A 108 16.596 -9.663 -0.024 1.00 0.00 H new ATOM 0 HH22 ARG A 108 17.875 -10.476 0.884 1.00 0.00 H new ATOM 1709 N PHE A 109 8.625 -8.781 3.068 1.00 0.00 N ATOM 1710 CA PHE A 109 7.903 -7.513 3.095 1.00 0.00 C ATOM 1711 C PHE A 109 7.564 -7.110 4.528 1.00 0.00 C ATOM 1712 O PHE A 109 7.490 -5.923 4.850 1.00 0.00 O ATOM 1713 CB PHE A 109 6.621 -7.622 2.260 1.00 0.00 C ATOM 1714 CG PHE A 109 5.706 -6.435 2.378 1.00 0.00 C ATOM 1715 CD1 PHE A 109 6.218 -5.148 2.431 1.00 0.00 C ATOM 1716 CD2 PHE A 109 4.333 -6.609 2.435 1.00 0.00 C ATOM 1717 CE1 PHE A 109 5.376 -4.058 2.540 1.00 0.00 C ATOM 1718 CE2 PHE A 109 3.486 -5.522 2.543 1.00 0.00 C ATOM 1719 CZ PHE A 109 4.008 -4.245 2.596 1.00 0.00 C ATOM 0 H PHE A 109 8.210 -9.486 2.460 1.00 0.00 H new ATOM 0 HA PHE A 109 8.545 -6.743 2.667 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.893 -7.754 1.213 1.00 0.00 H new ATOM 0 HB3 PHE A 109 6.078 -8.517 2.564 1.00 0.00 H new ATOM 0 HD1 PHE A 109 7.286 -4.996 2.387 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.919 -7.606 2.395 1.00 0.00 H new ATOM 0 HE1 PHE A 109 5.787 -3.060 2.581 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.417 -5.671 2.586 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.349 -3.394 2.681 1.00 0.00 H new ATOM 1729 N LEU A 110 7.358 -8.105 5.384 1.00 0.00 N ATOM 1730 CA LEU A 110 7.026 -7.857 6.783 1.00 0.00 C ATOM 1731 C LEU A 110 8.087 -6.993 7.460 1.00 0.00 C ATOM 1732 O LEU A 110 7.766 -6.062 8.197 1.00 0.00 O ATOM 1733 CB LEU A 110 6.879 -9.176 7.531 1.00 0.00 C ATOM 1734 CG LEU A 110 5.659 -9.264 8.450 1.00 0.00 C ATOM 1735 CD1 LEU A 110 5.319 -10.715 8.750 1.00 0.00 C ATOM 1736 CD2 LEU A 110 5.908 -8.492 9.739 1.00 0.00 C ATOM 0 H LEU A 110 7.415 -9.092 5.134 1.00 0.00 H new ATOM 0 HA LEU A 110 6.079 -7.318 6.811 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.826 -9.986 6.803 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.777 -9.341 8.127 1.00 0.00 H new ATOM 0 HG LEU A 110 4.808 -8.814 7.939 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.449 -10.757 9.405 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.098 -11.237 7.819 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.166 -11.193 9.242 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.031 -8.564 10.382 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.771 -8.913 10.254 1.00 0.00 H new ATOM 0 HD23 LEU A 110 6.101 -7.445 9.505 1.00 0.00 H new ATOM 1748 N LEU A 111 9.350 -7.315 7.207 1.00 0.00 N ATOM 1749 CA LEU A 111 10.462 -6.575 7.795 1.00 0.00 C ATOM 1750 C LEU A 111 10.381 -5.089 7.456 1.00 0.00 C ATOM 1751 O LEU A 111 10.389 -4.240 8.347 1.00 0.00 O ATOM 1752 CB LEU A 111 11.795 -7.144 7.309 1.00 0.00 C ATOM 1753 CG LEU A 111 12.099 -8.571 7.774 1.00 0.00 C ATOM 1754 CD1 LEU A 111 11.907 -9.560 6.634 1.00 0.00 C ATOM 1755 CD2 LEU A 111 13.516 -8.662 8.325 1.00 0.00 C ATOM 0 H LEU A 111 9.631 -8.084 6.598 1.00 0.00 H new ATOM 0 HA LEU A 111 10.397 -6.683 8.878 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.806 -7.123 6.219 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.597 -6.489 7.648 1.00 0.00 H new ATOM 0 HG LEU A 111 11.401 -8.827 8.571 1.00 0.00 H new ATOM 0 HD11 LEU A 111 12.128 -10.568 6.986 1.00 0.00 H new ATOM 0 HD12 LEU A 111 10.876 -9.516 6.284 1.00 0.00 H new ATOM 0 HD13 LEU A 111 12.579 -9.306 5.815 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.715 -9.683 8.651 1.00 0.00 H new ATOM 0 HD22 LEU A 111 14.227 -8.384 7.547 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.621 -7.984 9.172 1.00 0.00 H new ATOM 1767 N THR A 112 10.309 -4.782 6.166 1.00 0.00 N ATOM 1768 CA THR A 112 10.234 -3.397 5.709 1.00 0.00 C ATOM 1769 C THR A 112 9.050 -2.667 6.336 1.00 0.00 C ATOM 1770 O THR A 112 9.166 -1.508 6.734 1.00 0.00 O ATOM 1771 CB THR A 112 10.124 -3.350 4.183 1.00 0.00 C ATOM 1772 OG1 THR A 112 11.217 -4.021 3.581 1.00 0.00 O ATOM 1773 CG2 THR A 112 10.086 -1.943 3.628 1.00 0.00 C ATOM 0 H THR A 112 10.301 -5.474 5.416 1.00 0.00 H new ATOM 0 HA THR A 112 11.148 -2.893 6.022 1.00 0.00 H new ATOM 0 HB THR A 112 9.180 -3.841 3.946 1.00 0.00 H new ATOM 0 HG1 THR A 112 11.128 -3.982 2.606 1.00 0.00 H new ATOM 0 HG21 THR A 112 10.008 -1.982 2.542 1.00 0.00 H new ATOM 0 HG22 THR A 112 9.224 -1.414 4.035 1.00 0.00 H new ATOM 0 HG23 THR A 112 10.999 -1.417 3.907 1.00 0.00 H new ATOM 1781 N ILE A 113 7.910 -3.349 6.412 1.00 0.00 N ATOM 1782 CA ILE A 113 6.695 -2.764 6.981 1.00 0.00 C ATOM 1783 C ILE A 113 6.986 -2.014 8.277 1.00 0.00 C ATOM 1784 O ILE A 113 6.654 -0.835 8.404 1.00 0.00 O ATOM 1785 CB ILE A 113 5.617 -3.845 7.236 1.00 0.00 C ATOM 1786 CG1 ILE A 113 4.750 -4.031 5.989 1.00 0.00 C ATOM 1787 CG2 ILE A 113 4.750 -3.486 8.438 1.00 0.00 C ATOM 1788 CD1 ILE A 113 3.939 -2.806 5.629 1.00 0.00 C ATOM 0 H ILE A 113 7.800 -4.309 6.086 1.00 0.00 H new ATOM 0 HA ILE A 113 6.315 -2.053 6.248 1.00 0.00 H new ATOM 0 HB ILE A 113 6.124 -4.784 7.457 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.390 -4.293 5.147 1.00 0.00 H new ATOM 0 HG13 ILE A 113 4.074 -4.871 6.149 1.00 0.00 H new ATOM 0 HG21 ILE A 113 4.002 -4.264 8.592 1.00 0.00 H new ATOM 0 HG22 ILE A 113 5.376 -3.403 9.326 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.251 -2.534 8.256 1.00 0.00 H new ATOM 0 HD11 ILE A 113 3.349 -3.010 4.736 1.00 0.00 H new ATOM 0 HD12 ILE A 113 3.273 -2.555 6.454 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.610 -1.969 5.437 1.00 0.00 H new ATOM 1800 N LYS A 114 7.614 -2.692 9.233 1.00 0.00 N ATOM 1801 CA LYS A 114 7.948 -2.068 10.505 1.00 0.00 C ATOM 1802 C LYS A 114 8.613 -0.728 10.247 1.00 0.00 C ATOM 1803 O LYS A 114 8.105 0.322 10.640 1.00 0.00 O ATOM 1804 CB LYS A 114 8.872 -2.971 11.320 1.00 0.00 C ATOM 1805 CG LYS A 114 9.074 -2.504 12.754 1.00 0.00 C ATOM 1806 CD LYS A 114 10.252 -1.547 12.872 1.00 0.00 C ATOM 1807 CE LYS A 114 11.552 -2.201 12.436 1.00 0.00 C ATOM 1808 NZ LYS A 114 11.686 -3.585 12.969 1.00 0.00 N ATOM 0 H LYS A 114 7.900 -3.668 9.150 1.00 0.00 H new ATOM 0 HA LYS A 114 7.034 -1.914 11.078 1.00 0.00 H new ATOM 0 HB2 LYS A 114 8.462 -3.981 11.330 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.842 -3.026 10.825 1.00 0.00 H new ATOM 0 HG2 LYS A 114 8.168 -2.012 13.108 1.00 0.00 H new ATOM 0 HG3 LYS A 114 9.240 -3.367 13.398 1.00 0.00 H new ATOM 0 HD2 LYS A 114 10.066 -0.664 12.261 1.00 0.00 H new ATOM 0 HD3 LYS A 114 10.343 -1.208 13.904 1.00 0.00 H new ATOM 0 HE2 LYS A 114 11.598 -2.226 11.347 1.00 0.00 H new ATOM 0 HE3 LYS A 114 12.394 -1.598 12.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 12.660 -3.920 12.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 11.466 -3.588 13.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 11.026 -4.215 12.470 1.00 0.00 H new ATOM 1822 N HIS A 115 9.751 -0.779 9.567 1.00 0.00 N ATOM 1823 CA HIS A 115 10.496 0.428 9.230 1.00 0.00 C ATOM 1824 C HIS A 115 9.571 1.485 8.630 1.00 0.00 C ATOM 1825 O HIS A 115 9.782 2.683 8.813 1.00 0.00 O ATOM 1826 CB HIS A 115 11.620 0.102 8.250 1.00 0.00 C ATOM 1827 CG HIS A 115 12.605 1.216 8.077 1.00 0.00 C ATOM 1828 ND1 HIS A 115 13.954 1.073 8.326 1.00 0.00 N ATOM 1829 CD2 HIS A 115 12.433 2.498 7.676 1.00 0.00 C ATOM 1830 CE1 HIS A 115 14.569 2.218 8.086 1.00 0.00 C ATOM 1831 NE2 HIS A 115 13.668 3.098 7.690 1.00 0.00 N ATOM 0 H HIS A 115 10.179 -1.644 9.237 1.00 0.00 H new ATOM 0 HA HIS A 115 10.930 0.827 10.147 1.00 0.00 H new ATOM 0 HB2 HIS A 115 12.147 -0.787 8.597 1.00 0.00 H new ATOM 0 HB3 HIS A 115 11.186 -0.142 7.280 1.00 0.00 H new ATOM 0 HD2 HIS A 115 11.499 2.962 7.397 1.00 0.00 H new ATOM 0 HE1 HIS A 115 15.628 2.402 8.195 1.00 0.00 H new ATOM 0 HE2 HIS A 115 13.859 4.067 7.436 1.00 0.00 H new ATOM 1840 N ALA A 116 8.536 1.032 7.920 1.00 0.00 N ATOM 1841 CA ALA A 116 7.580 1.947 7.311 1.00 0.00 C ATOM 1842 C ALA A 116 6.842 2.739 8.383 1.00 0.00 C ATOM 1843 O ALA A 116 6.538 3.918 8.203 1.00 0.00 O ATOM 1844 CB ALA A 116 6.595 1.181 6.440 1.00 0.00 C ATOM 0 H ALA A 116 8.343 0.044 7.756 1.00 0.00 H new ATOM 0 HA ALA A 116 8.126 2.649 6.681 1.00 0.00 H new ATOM 0 HB1 ALA A 116 5.887 1.878 5.992 1.00 0.00 H new ATOM 0 HB2 ALA A 116 7.137 0.657 5.652 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.055 0.458 7.051 1.00 0.00 H new ATOM 1850 N PHE A 117 6.561 2.077 9.501 1.00 0.00 N ATOM 1851 CA PHE A 117 5.862 2.707 10.613 1.00 0.00 C ATOM 1852 C PHE A 117 6.833 3.480 11.502 1.00 0.00 C ATOM 1853 O PHE A 117 6.455 4.460 12.146 1.00 0.00 O ATOM 1854 CB PHE A 117 5.134 1.648 11.440 1.00 0.00 C ATOM 1855 CG PHE A 117 3.855 1.177 10.812 1.00 0.00 C ATOM 1856 CD1 PHE A 117 3.866 0.220 9.810 1.00 0.00 C ATOM 1857 CD2 PHE A 117 2.639 1.693 11.225 1.00 0.00 C ATOM 1858 CE1 PHE A 117 2.688 -0.211 9.232 1.00 0.00 C ATOM 1859 CE2 PHE A 117 1.459 1.266 10.654 1.00 0.00 C ATOM 1860 CZ PHE A 117 1.482 0.314 9.657 1.00 0.00 C ATOM 0 H PHE A 117 6.808 1.100 9.660 1.00 0.00 H new ATOM 0 HA PHE A 117 5.136 3.410 10.204 1.00 0.00 H new ATOM 0 HB2 PHE A 117 5.795 0.794 11.585 1.00 0.00 H new ATOM 0 HB3 PHE A 117 4.917 2.055 12.428 1.00 0.00 H new ATOM 0 HD1 PHE A 117 4.807 -0.194 9.477 1.00 0.00 H new ATOM 0 HD2 PHE A 117 2.614 2.440 12.005 1.00 0.00 H new ATOM 0 HE1 PHE A 117 2.709 -0.956 8.450 1.00 0.00 H new ATOM 0 HE2 PHE A 117 0.517 1.677 10.987 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.559 -0.021 9.208 1.00 0.00 H new ATOM 1870 N GLU A 118 8.085 3.032 11.534 1.00 0.00 N ATOM 1871 CA GLU A 118 9.111 3.678 12.347 1.00 0.00 C ATOM 1872 C GLU A 118 9.215 5.168 12.033 1.00 0.00 C ATOM 1873 O GLU A 118 9.667 5.955 12.863 1.00 0.00 O ATOM 1874 CB GLU A 118 10.461 3.004 12.125 1.00 0.00 C ATOM 1875 CG GLU A 118 11.289 2.868 13.392 1.00 0.00 C ATOM 1876 CD GLU A 118 12.780 2.942 13.127 1.00 0.00 C ATOM 1877 OE1 GLU A 118 13.241 2.317 12.149 1.00 0.00 O ATOM 1878 OE2 GLU A 118 13.487 3.625 13.898 1.00 0.00 O ATOM 0 H GLU A 118 8.414 2.224 11.006 1.00 0.00 H new ATOM 0 HA GLU A 118 8.823 3.572 13.393 1.00 0.00 H new ATOM 0 HB2 GLU A 118 10.298 2.014 11.700 1.00 0.00 H new ATOM 0 HB3 GLU A 118 11.027 3.577 11.391 1.00 0.00 H new ATOM 0 HG2 GLU A 118 11.009 3.656 14.091 1.00 0.00 H new ATOM 0 HG3 GLU A 118 11.056 1.918 13.873 1.00 0.00 H new