USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 685 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 SER OG : rot 180:sc= -0.703 USER MOD Set 1.2: A 87 HIS : no HE2:sc= -7.43! C(o=-8.1!,f=-8.7!) USER MOD Set 2.1: A 7 LYS NZ :NH3+ 180:sc= -0.173 (180deg=-0.0198) USER MOD Set 2.2: A 51 ASN : amide:sc= -1.25 K(o=-1.4,f=-0.42) USER MOD Set 3.1: A 40 SER OG : rot -98:sc= 1.1 USER MOD Set 3.2: A 45 SER OG : rot -57:sc= 1.32 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot -125:sc= -2.85! USER MOD Single : A 9 SER OG : rot 107:sc= 0.843 USER MOD Single : A 10 HIS : no HD1:sc= -5.72! C(o=-5.7!,f=-2.6!) USER MOD Single : A 14 SER OG : rot -44:sc= 0.887 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc=-0.00666 X(o=-0.0067,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -154:sc= -0.338 (180deg=-1.21) USER MOD Single : A 25 LYS NZ :NH3+ 157:sc= -0.0581 (180deg=-0.341) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -135:sc= -0.327 (180deg=-1.7!) USER MOD Single : A 48 LYS NZ :NH3+ -154:sc= 0.232 (180deg=0.0559) USER MOD Single : A 49 ASN : amide:sc= -0.376 X(o=-0.38,f=-0.16) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.438 USER MOD Single : A 57 LYS NZ :NH3+ -137:sc= 0.282 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= -0.205 (180deg=-0.205) USER MOD Single : A 62 LYS NZ :NH3+ 158:sc= -0.0922 (180deg=-0.489) USER MOD Single : A 70 LYS NZ :NH3+ 157:sc= -0.0299 (180deg=-0.786) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 77 SER OG : rot 10:sc= -1.42! USER MOD Single : A 81 LYS NZ :NH3+ 164:sc= -0.0563 (180deg=-0.345) USER MOD Single : A 86 TYR OH : rot 165:sc= -0.889 USER MOD Single : A 90 LYS NZ :NH3+ 174:sc= 0.105 (180deg=0.0978) USER MOD ----------------------------------------------------------------- ATOM 47 N LYS A 5 -1.822 7.704 -7.116 1.00 31.23 N ATOM 48 CA LYS A 5 -3.071 8.446 -7.245 1.00 43.10 C ATOM 49 C LYS A 5 -4.082 7.996 -6.196 1.00 50.43 C ATOM 50 O LYS A 5 -3.951 6.919 -5.614 1.00 65.02 O ATOM 51 CB LYS A 5 -3.656 8.260 -8.646 1.00 65.44 C ATOM 52 CG LYS A 5 -3.268 6.944 -9.297 1.00 41.15 C ATOM 53 CD LYS A 5 -3.889 6.799 -10.676 1.00 42.55 C ATOM 54 CE LYS A 5 -2.838 6.498 -11.734 1.00 1.11 C ATOM 55 NZ LYS A 5 -2.249 7.743 -12.301 1.00 71.33 N ATOM 0 HA LYS A 5 -2.855 9.502 -7.086 1.00 43.10 H new ATOM 0 HB2 LYS A 5 -4.743 8.320 -8.588 1.00 65.44 H new ATOM 0 HB3 LYS A 5 -3.325 9.082 -9.281 1.00 65.44 H new ATOM 0 HG2 LYS A 5 -2.183 6.883 -9.378 1.00 41.15 H new ATOM 0 HG3 LYS A 5 -3.588 6.116 -8.664 1.00 41.15 H new ATOM 0 HD2 LYS A 5 -4.630 5.999 -10.660 1.00 42.55 H new ATOM 0 HD3 LYS A 5 -4.416 7.717 -10.937 1.00 42.55 H new ATOM 0 HE2 LYS A 5 -2.047 5.888 -11.297 1.00 1.11 H new ATOM 0 HE3 LYS A 5 -3.287 5.911 -12.535 1.00 1.11 H new ATOM 0 HZ1 LYS A 5 -1.538 7.495 -13.018 1.00 71.33 H new ATOM 0 HZ2 LYS A 5 -3.000 8.313 -12.741 1.00 71.33 H new ATOM 0 HZ3 LYS A 5 -1.798 8.291 -11.541 1.00 71.33 H new ATOM 69 N ILE A 6 -5.092 8.827 -5.961 1.00 14.24 N ATOM 70 CA ILE A 6 -6.128 8.513 -4.984 1.00 61.23 C ATOM 71 C ILE A 6 -7.456 9.158 -5.364 1.00 65.34 C ATOM 72 O ILE A 6 -7.488 10.213 -5.997 1.00 62.04 O ATOM 73 CB ILE A 6 -5.729 8.979 -3.571 1.00 53.35 C ATOM 74 CG1 ILE A 6 -5.457 10.485 -3.566 1.00 14.31 C ATOM 75 CG2 ILE A 6 -4.508 8.213 -3.086 1.00 2.32 C ATOM 76 CD1 ILE A 6 -5.753 11.148 -2.238 1.00 34.33 C ATOM 0 H ILE A 6 -5.215 9.723 -6.434 1.00 14.24 H new ATOM 0 HA ILE A 6 -6.241 7.429 -4.982 1.00 61.23 H new ATOM 0 HB ILE A 6 -6.555 8.775 -2.890 1.00 53.35 H new ATOM 0 HG12 ILE A 6 -4.412 10.658 -3.825 1.00 14.31 H new ATOM 0 HG13 ILE A 6 -6.060 10.958 -4.341 1.00 14.31 H new ATOM 0 HG21 ILE A 6 -4.238 8.554 -2.086 1.00 2.32 H new ATOM 0 HG22 ILE A 6 -4.735 7.147 -3.057 1.00 2.32 H new ATOM 0 HG23 ILE A 6 -3.675 8.389 -3.766 1.00 2.32 H new ATOM 0 HD11 ILE A 6 -5.537 12.214 -2.308 1.00 34.33 H new ATOM 0 HD12 ILE A 6 -6.804 11.006 -1.987 1.00 34.33 H new ATOM 0 HD13 ILE A 6 -5.131 10.702 -1.462 1.00 34.33 H new ATOM 88 N LYS A 7 -8.552 8.517 -4.971 1.00 14.52 N ATOM 89 CA LYS A 7 -9.885 9.029 -5.267 1.00 65.05 C ATOM 90 C LYS A 7 -10.182 10.280 -4.448 1.00 13.22 C ATOM 91 O LYS A 7 -9.749 10.400 -3.300 1.00 43.32 O ATOM 92 CB LYS A 7 -10.940 7.958 -4.982 1.00 25.42 C ATOM 93 CG LYS A 7 -11.748 7.559 -6.204 1.00 73.33 C ATOM 94 CD LYS A 7 -13.142 7.088 -5.822 1.00 25.00 C ATOM 95 CE LYS A 7 -14.217 7.958 -6.454 1.00 71.22 C ATOM 96 NZ LYS A 7 -14.375 7.675 -7.908 1.00 32.22 N ATOM 0 H LYS A 7 -8.543 7.642 -4.447 1.00 14.52 H new ATOM 0 HA LYS A 7 -9.919 9.292 -6.324 1.00 65.05 H new ATOM 0 HB2 LYS A 7 -10.448 7.073 -4.578 1.00 25.42 H new ATOM 0 HB3 LYS A 7 -11.619 8.325 -4.212 1.00 25.42 H new ATOM 0 HG2 LYS A 7 -11.823 8.407 -6.884 1.00 73.33 H new ATOM 0 HG3 LYS A 7 -11.229 6.765 -6.741 1.00 73.33 H new ATOM 0 HD2 LYS A 7 -13.277 6.054 -6.138 1.00 25.00 H new ATOM 0 HD3 LYS A 7 -13.249 7.106 -4.737 1.00 25.00 H new ATOM 0 HE2 LYS A 7 -15.166 7.789 -5.946 1.00 71.22 H new ATOM 0 HE3 LYS A 7 -13.963 9.009 -6.314 1.00 71.22 H new ATOM 0 HZ1 LYS A 7 -15.117 8.288 -8.302 1.00 32.22 H new ATOM 0 HZ2 LYS A 7 -13.476 7.860 -8.397 1.00 32.22 H new ATOM 0 HZ3 LYS A 7 -14.642 6.679 -8.041 1.00 32.22 H new ATOM 110 N CYS A 8 -10.922 11.209 -5.041 1.00 51.43 N ATOM 111 CA CYS A 8 -11.278 12.452 -4.365 1.00 51.53 C ATOM 112 C CYS A 8 -12.212 13.293 -5.230 1.00 2.33 C ATOM 113 O CYS A 8 -12.287 13.106 -6.444 1.00 12.40 O ATOM 114 CB CYS A 8 -10.018 13.251 -4.028 1.00 52.52 C ATOM 115 SG CYS A 8 -9.025 13.707 -5.468 1.00 50.34 S ATOM 0 H CYS A 8 -11.288 11.126 -5.989 1.00 51.43 H new ATOM 0 HA CYS A 8 -11.798 12.199 -3.441 1.00 51.53 H new ATOM 0 HB2 CYS A 8 -10.307 14.158 -3.498 1.00 52.52 H new ATOM 0 HB3 CYS A 8 -9.401 12.666 -3.346 1.00 52.52 H new ATOM 0 HG CYS A 8 -7.804 13.291 -5.303 1.00 50.34 H new ATOM 121 N SER A 9 -12.924 14.218 -4.594 1.00 13.43 N ATOM 122 CA SER A 9 -13.858 15.085 -5.304 1.00 32.32 C ATOM 123 C SER A 9 -13.489 16.552 -5.114 1.00 12.53 C ATOM 124 O SER A 9 -12.404 16.874 -4.629 1.00 64.13 O ATOM 125 CB SER A 9 -15.287 14.839 -4.815 1.00 33.32 C ATOM 126 OG SER A 9 -15.608 13.459 -4.852 1.00 70.41 O ATOM 0 H SER A 9 -12.872 14.386 -3.589 1.00 13.43 H new ATOM 0 HA SER A 9 -13.799 14.849 -6.366 1.00 32.32 H new ATOM 0 HB2 SER A 9 -15.396 15.214 -3.797 1.00 33.32 H new ATOM 0 HB3 SER A 9 -15.988 15.396 -5.437 1.00 33.32 H new ATOM 0 HG SER A 9 -15.623 13.102 -3.939 1.00 70.41 H new ATOM 132 N HIS A 10 -14.401 17.440 -5.498 1.00 14.50 N ATOM 133 CA HIS A 10 -14.173 18.875 -5.370 1.00 71.23 C ATOM 134 C HIS A 10 -15.462 19.654 -5.611 1.00 74.21 C ATOM 135 O HIS A 10 -16.306 19.245 -6.410 1.00 23.12 O ATOM 136 CB HIS A 10 -13.096 19.331 -6.355 1.00 14.50 C ATOM 137 CG HIS A 10 -13.491 19.168 -7.791 1.00 65.33 C ATOM 138 ND1 HIS A 10 -13.754 20.233 -8.625 1.00 44.23 N ATOM 139 CD2 HIS A 10 -13.663 18.054 -8.540 1.00 61.44 C ATOM 140 CE1 HIS A 10 -14.074 19.782 -9.825 1.00 23.00 C ATOM 141 NE2 HIS A 10 -14.025 18.462 -9.800 1.00 53.44 N ATOM 0 H HIS A 10 -15.305 17.191 -5.900 1.00 14.50 H new ATOM 0 HA HIS A 10 -13.834 19.075 -4.354 1.00 71.23 H new ATOM 0 HB2 HIS A 10 -12.864 20.379 -6.167 1.00 14.50 H new ATOM 0 HB3 HIS A 10 -12.183 18.764 -6.171 1.00 14.50 H new ATOM 0 HD2 HIS A 10 -13.539 17.034 -8.208 1.00 61.44 H new ATOM 0 HE1 HIS A 10 -14.332 20.389 -10.680 1.00 23.00 H new ATOM 0 HE2 HIS A 10 -14.224 17.846 -10.588 1.00 53.44 H new ATOM 149 N ILE A 11 -15.609 20.776 -4.914 1.00 73.35 N ATOM 150 CA ILE A 11 -16.796 21.611 -5.053 1.00 44.33 C ATOM 151 C ILE A 11 -16.452 23.087 -4.882 1.00 72.32 C ATOM 152 O ILE A 11 -15.921 23.497 -3.850 1.00 24.22 O ATOM 153 CB ILE A 11 -17.879 21.225 -4.029 1.00 1.40 C ATOM 154 CG1 ILE A 11 -18.388 19.808 -4.301 1.00 45.43 C ATOM 155 CG2 ILE A 11 -19.027 22.224 -4.070 1.00 63.35 C ATOM 156 CD1 ILE A 11 -19.364 19.307 -3.261 1.00 34.22 C ATOM 0 H ILE A 11 -14.921 21.128 -4.248 1.00 73.35 H new ATOM 0 HA ILE A 11 -17.183 21.445 -6.058 1.00 44.33 H new ATOM 0 HB ILE A 11 -17.439 21.247 -3.032 1.00 1.40 H new ATOM 0 HG12 ILE A 11 -18.868 19.785 -5.279 1.00 45.43 H new ATOM 0 HG13 ILE A 11 -17.538 19.128 -4.347 1.00 45.43 H new ATOM 0 HG21 ILE A 11 -19.785 21.938 -3.341 1.00 63.35 H new ATOM 0 HG22 ILE A 11 -18.652 23.219 -3.832 1.00 63.35 H new ATOM 0 HG23 ILE A 11 -19.468 22.231 -5.067 1.00 63.35 H new ATOM 0 HD11 ILE A 11 -19.683 18.297 -3.518 1.00 34.22 H new ATOM 0 HD12 ILE A 11 -18.881 19.298 -2.284 1.00 34.22 H new ATOM 0 HD13 ILE A 11 -20.233 19.965 -3.230 1.00 34.22 H new ATOM 168 N LEU A 12 -16.761 23.883 -5.901 1.00 32.43 N ATOM 169 CA LEU A 12 -16.487 25.315 -5.863 1.00 51.41 C ATOM 170 C LEU A 12 -17.755 26.104 -5.548 1.00 63.23 C ATOM 171 O LEU A 12 -18.816 25.846 -6.116 1.00 2.32 O ATOM 172 CB LEU A 12 -15.904 25.778 -7.198 1.00 65.45 C ATOM 173 CG LEU A 12 -14.382 25.699 -7.330 1.00 2.12 C ATOM 174 CD1 LEU A 12 -13.709 26.541 -6.256 1.00 61.15 C ATOM 175 CD2 LEU A 12 -13.914 24.253 -7.247 1.00 73.01 C ATOM 0 H LEU A 12 -17.201 23.561 -6.763 1.00 32.43 H new ATOM 0 HA LEU A 12 -15.760 25.500 -5.072 1.00 51.41 H new ATOM 0 HB2 LEU A 12 -16.349 25.180 -7.993 1.00 65.45 H new ATOM 0 HB3 LEU A 12 -16.210 26.810 -7.367 1.00 65.45 H new ATOM 0 HG LEU A 12 -14.100 26.096 -8.305 1.00 2.12 H new ATOM 0 HD11 LEU A 12 -12.627 26.473 -6.365 1.00 61.15 H new ATOM 0 HD12 LEU A 12 -14.020 27.581 -6.361 1.00 61.15 H new ATOM 0 HD13 LEU A 12 -13.998 26.174 -5.271 1.00 61.15 H new ATOM 0 HD21 LEU A 12 -12.829 24.216 -7.343 1.00 73.01 H new ATOM 0 HD22 LEU A 12 -14.208 23.830 -6.287 1.00 73.01 H new ATOM 0 HD23 LEU A 12 -14.369 23.676 -8.052 1.00 73.01 H new ATOM 187 N VAL A 13 -17.635 27.068 -4.641 1.00 33.14 N ATOM 188 CA VAL A 13 -18.770 27.897 -4.252 1.00 42.14 C ATOM 189 C VAL A 13 -18.382 29.370 -4.201 1.00 64.01 C ATOM 190 O VAL A 13 -17.249 29.735 -4.513 1.00 12.34 O ATOM 191 CB VAL A 13 -19.329 27.476 -2.880 1.00 4.54 C ATOM 192 CG1 VAL A 13 -19.784 26.025 -2.910 1.00 71.12 C ATOM 193 CG2 VAL A 13 -18.288 27.694 -1.792 1.00 13.21 C ATOM 0 H VAL A 13 -16.763 27.294 -4.162 1.00 33.14 H new ATOM 0 HA VAL A 13 -19.541 27.753 -5.009 1.00 42.14 H new ATOM 0 HB VAL A 13 -20.195 28.098 -2.654 1.00 4.54 H new ATOM 0 HG11 VAL A 13 -20.176 25.746 -1.932 1.00 71.12 H new ATOM 0 HG12 VAL A 13 -20.564 25.904 -3.661 1.00 71.12 H new ATOM 0 HG13 VAL A 13 -18.938 25.384 -3.158 1.00 71.12 H new ATOM 0 HG21 VAL A 13 -18.699 27.391 -0.829 1.00 13.21 H new ATOM 0 HG22 VAL A 13 -17.402 27.098 -2.011 1.00 13.21 H new ATOM 0 HG23 VAL A 13 -18.016 28.749 -1.755 1.00 13.21 H new ATOM 203 N SER A 14 -19.331 30.213 -3.804 1.00 61.05 N ATOM 204 CA SER A 14 -19.090 31.648 -3.715 1.00 65.34 C ATOM 205 C SER A 14 -19.370 32.159 -2.306 1.00 12.33 C ATOM 206 O SER A 14 -19.551 33.358 -2.091 1.00 52.12 O ATOM 207 CB SER A 14 -19.962 32.396 -4.725 1.00 41.41 C ATOM 208 OG SER A 14 -19.668 33.783 -4.723 1.00 41.14 O ATOM 0 H SER A 14 -20.273 29.926 -3.539 1.00 61.05 H new ATOM 0 HA SER A 14 -18.041 31.831 -3.947 1.00 65.34 H new ATOM 0 HB2 SER A 14 -19.800 31.988 -5.723 1.00 41.41 H new ATOM 0 HB3 SER A 14 -21.014 32.244 -4.485 1.00 41.41 H new ATOM 0 HG SER A 14 -19.580 34.097 -3.799 1.00 41.14 H new ATOM 214 N LYS A 15 -19.404 31.241 -1.346 1.00 73.11 N ATOM 215 CA LYS A 15 -19.662 31.596 0.045 1.00 52.23 C ATOM 216 C LYS A 15 -18.963 30.626 0.992 1.00 2.23 C ATOM 217 O LYS A 15 -18.673 29.488 0.625 1.00 24.12 O ATOM 218 CB LYS A 15 -21.167 31.600 0.321 1.00 42.31 C ATOM 219 CG LYS A 15 -21.961 32.459 -0.647 1.00 72.04 C ATOM 220 CD LYS A 15 -23.431 32.514 -0.269 1.00 13.33 C ATOM 221 CE LYS A 15 -24.310 31.905 -1.351 1.00 45.33 C ATOM 222 NZ LYS A 15 -25.673 32.502 -1.360 1.00 74.31 N ATOM 0 H LYS A 15 -19.256 30.245 -1.506 1.00 73.11 H new ATOM 0 HA LYS A 15 -19.265 32.596 0.219 1.00 52.23 H new ATOM 0 HB2 LYS A 15 -21.539 30.577 0.274 1.00 42.31 H new ATOM 0 HB3 LYS A 15 -21.341 31.956 1.336 1.00 42.31 H new ATOM 0 HG2 LYS A 15 -21.550 33.468 -0.660 1.00 72.04 H new ATOM 0 HG3 LYS A 15 -21.859 32.060 -1.656 1.00 72.04 H new ATOM 0 HD2 LYS A 15 -23.586 31.982 0.669 1.00 13.33 H new ATOM 0 HD3 LYS A 15 -23.725 33.550 -0.100 1.00 13.33 H new ATOM 0 HE2 LYS A 15 -23.842 32.053 -2.324 1.00 45.33 H new ATOM 0 HE3 LYS A 15 -24.386 30.829 -1.194 1.00 45.33 H new ATOM 0 HZ1 LYS A 15 -26.241 32.060 -2.111 1.00 74.31 H new ATOM 0 HZ2 LYS A 15 -26.129 32.339 -0.440 1.00 74.31 H new ATOM 0 HZ3 LYS A 15 -25.603 33.525 -1.535 1.00 74.31 H new ATOM 236 N GLN A 16 -18.697 31.084 2.211 1.00 10.23 N ATOM 237 CA GLN A 16 -18.034 30.255 3.211 1.00 43.54 C ATOM 238 C GLN A 16 -18.982 29.193 3.754 1.00 74.03 C ATOM 239 O GLN A 16 -18.584 28.052 3.987 1.00 71.44 O ATOM 240 CB GLN A 16 -17.510 31.123 4.357 1.00 71.34 C ATOM 241 CG GLN A 16 -16.056 31.537 4.192 1.00 62.14 C ATOM 242 CD GLN A 16 -15.330 31.658 5.516 1.00 52.51 C ATOM 243 OE1 GLN A 16 -14.245 31.105 5.697 1.00 73.43 O ATOM 244 NE2 GLN A 16 -15.926 32.388 6.453 1.00 73.14 N ATOM 0 H GLN A 16 -18.930 32.024 2.530 1.00 10.23 H new ATOM 0 HA GLN A 16 -17.194 29.753 2.731 1.00 43.54 H new ATOM 0 HB2 GLN A 16 -18.127 32.018 4.435 1.00 71.34 H new ATOM 0 HB3 GLN A 16 -17.620 30.577 5.294 1.00 71.34 H new ATOM 0 HG2 GLN A 16 -15.543 30.807 3.566 1.00 62.14 H new ATOM 0 HG3 GLN A 16 -16.011 32.492 3.669 1.00 62.14 H new ATOM 0 HE21 GLN A 16 -16.825 32.829 6.261 1.00 73.14 H new ATOM 0 HE22 GLN A 16 -15.484 32.507 7.364 1.00 73.14 H new ATOM 253 N SER A 17 -20.239 29.575 3.954 1.00 12.54 N ATOM 254 CA SER A 17 -21.244 28.657 4.474 1.00 33.41 C ATOM 255 C SER A 17 -21.652 27.639 3.413 1.00 62.12 C ATOM 256 O SER A 17 -22.187 26.577 3.728 1.00 2.54 O ATOM 257 CB SER A 17 -22.474 29.429 4.954 1.00 15.30 C ATOM 258 OG SER A 17 -23.642 28.631 4.877 1.00 71.43 O ATOM 0 H SER A 17 -20.586 30.515 3.763 1.00 12.54 H new ATOM 0 HA SER A 17 -20.808 28.123 5.318 1.00 33.41 H new ATOM 0 HB2 SER A 17 -22.322 29.758 5.982 1.00 15.30 H new ATOM 0 HB3 SER A 17 -22.603 30.326 4.348 1.00 15.30 H new ATOM 0 HG SER A 17 -24.413 29.148 5.191 1.00 71.43 H new ATOM 264 N GLU A 18 -21.395 27.973 2.152 1.00 2.32 N ATOM 265 CA GLU A 18 -21.736 27.090 1.043 1.00 43.12 C ATOM 266 C GLU A 18 -20.721 25.958 0.918 1.00 70.33 C ATOM 267 O GLU A 18 -21.080 24.818 0.623 1.00 10.44 O ATOM 268 CB GLU A 18 -21.799 27.880 -0.266 1.00 72.04 C ATOM 269 CG GLU A 18 -23.120 28.601 -0.478 1.00 4.50 C ATOM 270 CD GLU A 18 -24.198 27.694 -1.037 1.00 41.24 C ATOM 271 OE1 GLU A 18 -24.749 26.882 -0.265 1.00 12.42 O ATOM 272 OE2 GLU A 18 -24.491 27.796 -2.247 1.00 22.04 O ATOM 0 H GLU A 18 -20.952 28.848 1.873 1.00 2.32 H new ATOM 0 HA GLU A 18 -22.715 26.656 1.245 1.00 43.12 H new ATOM 0 HB2 GLU A 18 -20.990 28.610 -0.279 1.00 72.04 H new ATOM 0 HB3 GLU A 18 -21.628 27.199 -1.100 1.00 72.04 H new ATOM 0 HG2 GLU A 18 -23.458 29.018 0.471 1.00 4.50 H new ATOM 0 HG3 GLU A 18 -22.967 29.439 -1.158 1.00 4.50 H new ATOM 279 N ALA A 19 -19.452 26.281 1.144 1.00 63.34 N ATOM 280 CA ALA A 19 -18.384 25.292 1.058 1.00 72.32 C ATOM 281 C ALA A 19 -18.184 24.583 2.393 1.00 34.22 C ATOM 282 O ALA A 19 -17.902 23.385 2.437 1.00 61.15 O ATOM 283 CB ALA A 19 -17.089 25.951 0.609 1.00 64.23 C ATOM 0 H ALA A 19 -19.138 27.220 1.388 1.00 63.34 H new ATOM 0 HA ALA A 19 -18.673 24.545 0.319 1.00 72.32 H new ATOM 0 HB1 ALA A 19 -16.301 25.201 0.549 1.00 64.23 H new ATOM 0 HB2 ALA A 19 -17.233 26.405 -0.371 1.00 64.23 H new ATOM 0 HB3 ALA A 19 -16.804 26.720 1.327 1.00 64.23 H new ATOM 289 N LEU A 20 -18.331 25.330 3.482 1.00 61.13 N ATOM 290 CA LEU A 20 -18.165 24.773 4.821 1.00 60.42 C ATOM 291 C LEU A 20 -19.366 23.914 5.206 1.00 54.44 C ATOM 292 O LEU A 20 -19.360 23.250 6.241 1.00 14.11 O ATOM 293 CB LEU A 20 -17.978 25.896 5.842 1.00 61.15 C ATOM 294 CG LEU A 20 -17.395 25.483 7.194 1.00 42.31 C ATOM 295 CD1 LEU A 20 -15.877 25.568 7.169 1.00 24.14 C ATOM 296 CD2 LEU A 20 -17.962 26.352 8.307 1.00 51.41 C ATOM 0 H LEU A 20 -18.565 26.323 3.464 1.00 61.13 H new ATOM 0 HA LEU A 20 -17.276 24.142 4.818 1.00 60.42 H new ATOM 0 HB2 LEU A 20 -17.328 26.653 5.404 1.00 61.15 H new ATOM 0 HB3 LEU A 20 -18.945 26.368 6.015 1.00 61.15 H new ATOM 0 HG LEU A 20 -17.677 24.448 7.389 1.00 42.31 H new ATOM 0 HD11 LEU A 20 -15.480 25.270 8.140 1.00 24.14 H new ATOM 0 HD12 LEU A 20 -15.488 24.903 6.398 1.00 24.14 H new ATOM 0 HD13 LEU A 20 -15.573 26.592 6.951 1.00 24.14 H new ATOM 0 HD21 LEU A 20 -17.536 26.044 9.262 1.00 51.41 H new ATOM 0 HD22 LEU A 20 -17.711 27.396 8.117 1.00 51.41 H new ATOM 0 HD23 LEU A 20 -19.046 26.240 8.340 1.00 51.41 H new ATOM 308 N ALA A 21 -20.394 23.933 4.363 1.00 61.05 N ATOM 309 CA ALA A 21 -21.600 23.153 4.613 1.00 13.22 C ATOM 310 C ALA A 21 -21.400 21.693 4.222 1.00 32.43 C ATOM 311 O ALA A 21 -22.129 20.812 4.681 1.00 4.10 O ATOM 312 CB ALA A 21 -22.779 23.747 3.856 1.00 4.32 C ATOM 0 H ALA A 21 -20.416 24.479 3.502 1.00 61.05 H new ATOM 0 HA ALA A 21 -21.812 23.190 5.682 1.00 13.22 H new ATOM 0 HB1 ALA A 21 -23.673 23.155 4.052 1.00 4.32 H new ATOM 0 HB2 ALA A 21 -22.944 24.773 4.186 1.00 4.32 H new ATOM 0 HB3 ALA A 21 -22.566 23.740 2.787 1.00 4.32 H new ATOM 318 N ILE A 22 -20.410 21.443 3.372 1.00 33.22 N ATOM 319 CA ILE A 22 -20.115 20.088 2.921 1.00 52.54 C ATOM 320 C ILE A 22 -19.657 19.210 4.079 1.00 23.23 C ATOM 321 O ILE A 22 -19.861 17.996 4.070 1.00 63.14 O ATOM 322 CB ILE A 22 -19.031 20.083 1.827 1.00 41.41 C ATOM 323 CG1 ILE A 22 -19.394 21.068 0.712 1.00 35.13 C ATOM 324 CG2 ILE A 22 -18.853 18.681 1.265 1.00 63.45 C ATOM 325 CD1 ILE A 22 -20.725 20.774 0.057 1.00 33.21 C ATOM 0 H ILE A 22 -19.799 22.160 2.982 1.00 33.22 H new ATOM 0 HA ILE A 22 -21.039 19.685 2.507 1.00 52.54 H new ATOM 0 HB ILE A 22 -18.087 20.399 2.271 1.00 41.41 H new ATOM 0 HG12 ILE A 22 -19.415 22.077 1.123 1.00 35.13 H new ATOM 0 HG13 ILE A 22 -18.612 21.049 -0.047 1.00 35.13 H new ATOM 0 HG21 ILE A 22 -18.084 18.693 0.493 1.00 63.45 H new ATOM 0 HG22 ILE A 22 -18.553 18.004 2.065 1.00 63.45 H new ATOM 0 HG23 ILE A 22 -19.794 18.340 0.834 1.00 63.45 H new ATOM 0 HD11 ILE A 22 -20.917 21.511 -0.723 1.00 33.21 H new ATOM 0 HD12 ILE A 22 -20.701 19.777 -0.383 1.00 33.21 H new ATOM 0 HD13 ILE A 22 -21.517 20.822 0.805 1.00 33.21 H new ATOM 337 N MET A 23 -19.039 19.832 5.077 1.00 23.11 N ATOM 338 CA MET A 23 -18.554 19.106 6.246 1.00 12.43 C ATOM 339 C MET A 23 -19.622 19.053 7.335 1.00 62.45 C ATOM 340 O MET A 23 -19.359 18.613 8.453 1.00 1.40 O ATOM 341 CB MET A 23 -17.286 19.765 6.792 1.00 43.43 C ATOM 342 CG MET A 23 -17.445 21.251 7.070 1.00 44.52 C ATOM 343 SD MET A 23 -15.999 21.965 7.879 1.00 64.42 S ATOM 344 CE MET A 23 -15.908 20.960 9.358 1.00 43.13 C ATOM 0 H MET A 23 -18.862 20.836 5.100 1.00 23.11 H new ATOM 0 HA MET A 23 -18.322 18.086 5.939 1.00 12.43 H new ATOM 0 HB2 MET A 23 -16.992 19.261 7.713 1.00 43.43 H new ATOM 0 HB3 MET A 23 -16.475 19.622 6.077 1.00 43.43 H new ATOM 0 HG2 MET A 23 -17.627 21.775 6.132 1.00 44.52 H new ATOM 0 HG3 MET A 23 -18.322 21.407 7.698 1.00 44.52 H new ATOM 0 HE1 MET A 23 -15.410 21.521 10.149 1.00 43.13 H new ATOM 0 HE2 MET A 23 -16.915 20.694 9.680 1.00 43.13 H new ATOM 0 HE3 MET A 23 -15.343 20.052 9.147 1.00 43.13 H new ATOM 354 N GLU A 24 -20.826 19.503 6.998 1.00 54.45 N ATOM 355 CA GLU A 24 -21.932 19.507 7.948 1.00 73.34 C ATOM 356 C GLU A 24 -23.108 18.692 7.416 1.00 14.13 C ATOM 357 O GLU A 24 -23.583 17.765 8.073 1.00 72.14 O ATOM 358 CB GLU A 24 -22.381 20.941 8.237 1.00 43.52 C ATOM 359 CG GLU A 24 -21.231 21.930 8.337 1.00 75.25 C ATOM 360 CD GLU A 24 -21.392 22.897 9.493 1.00 22.00 C ATOM 361 OE1 GLU A 24 -22.329 23.721 9.452 1.00 74.34 O ATOM 362 OE2 GLU A 24 -20.579 22.830 10.439 1.00 55.52 O ATOM 0 H GLU A 24 -21.060 19.869 6.075 1.00 54.45 H new ATOM 0 HA GLU A 24 -21.584 19.050 8.874 1.00 73.34 H new ATOM 0 HB2 GLU A 24 -23.061 21.266 7.449 1.00 43.52 H new ATOM 0 HB3 GLU A 24 -22.944 20.956 9.170 1.00 43.52 H new ATOM 0 HG2 GLU A 24 -20.295 21.383 8.454 1.00 75.25 H new ATOM 0 HG3 GLU A 24 -21.158 22.492 7.406 1.00 75.25 H new ATOM 369 N LYS A 25 -23.575 19.046 6.223 1.00 22.11 N ATOM 370 CA LYS A 25 -24.695 18.349 5.601 1.00 24.02 C ATOM 371 C LYS A 25 -24.391 16.862 5.446 1.00 55.41 C ATOM 372 O LYS A 25 -25.185 16.012 5.850 1.00 60.45 O ATOM 373 CB LYS A 25 -25.007 18.962 4.235 1.00 13.22 C ATOM 374 CG LYS A 25 -26.285 19.783 4.215 1.00 34.10 C ATOM 375 CD LYS A 25 -26.001 21.262 4.410 1.00 15.33 C ATOM 376 CE LYS A 25 -25.863 21.985 3.079 1.00 33.41 C ATOM 377 NZ LYS A 25 -27.160 22.061 2.352 1.00 74.25 N ATOM 0 H LYS A 25 -23.195 19.812 5.667 1.00 22.11 H new ATOM 0 HA LYS A 25 -25.565 18.458 6.249 1.00 24.02 H new ATOM 0 HB2 LYS A 25 -24.173 19.595 3.931 1.00 13.22 H new ATOM 0 HB3 LYS A 25 -25.086 18.164 3.497 1.00 13.22 H new ATOM 0 HG2 LYS A 25 -26.800 19.633 3.266 1.00 34.10 H new ATOM 0 HG3 LYS A 25 -26.955 19.434 5.000 1.00 34.10 H new ATOM 0 HD2 LYS A 25 -26.806 21.715 4.989 1.00 15.33 H new ATOM 0 HD3 LYS A 25 -25.085 21.384 4.988 1.00 15.33 H new ATOM 0 HE2 LYS A 25 -25.483 22.992 3.251 1.00 33.41 H new ATOM 0 HE3 LYS A 25 -25.129 21.469 2.460 1.00 33.41 H new ATOM 0 HZ1 LYS A 25 -27.136 22.855 1.681 1.00 74.25 H new ATOM 0 HZ2 LYS A 25 -27.319 21.174 1.833 1.00 74.25 H new ATOM 0 HZ3 LYS A 25 -27.932 22.207 3.034 1.00 74.25 H new ATOM 465 N LYS A 31 -25.181 12.563 0.411 1.00 44.44 N ATOM 466 CA LYS A 31 -24.299 12.260 -0.711 1.00 21.12 C ATOM 467 C LYS A 31 -23.508 13.495 -1.131 1.00 1.22 C ATOM 468 O LYS A 31 -24.083 14.546 -1.414 1.00 42.25 O ATOM 469 CB LYS A 31 -25.110 11.733 -1.896 1.00 51.23 C ATOM 470 CG LYS A 31 -24.324 10.808 -2.809 1.00 72.24 C ATOM 471 CD LYS A 31 -24.452 9.357 -2.376 1.00 3.32 C ATOM 472 CE LYS A 31 -23.374 8.979 -1.371 1.00 51.22 C ATOM 473 NZ LYS A 31 -23.064 7.523 -1.414 1.00 23.30 N ATOM 0 HA LYS A 31 -23.595 11.492 -0.390 1.00 21.12 H new ATOM 0 HB2 LYS A 31 -25.984 11.201 -1.519 1.00 51.23 H new ATOM 0 HB3 LYS A 31 -25.477 12.578 -2.478 1.00 51.23 H new ATOM 0 HG2 LYS A 31 -24.681 10.916 -3.833 1.00 72.24 H new ATOM 0 HG3 LYS A 31 -23.273 11.098 -2.806 1.00 72.24 H new ATOM 0 HD2 LYS A 31 -25.435 9.193 -1.936 1.00 3.32 H new ATOM 0 HD3 LYS A 31 -24.381 8.708 -3.249 1.00 3.32 H new ATOM 0 HE2 LYS A 31 -22.469 9.550 -1.577 1.00 51.22 H new ATOM 0 HE3 LYS A 31 -23.701 9.252 -0.368 1.00 51.22 H new ATOM 0 HZ1 LYS A 31 -22.325 7.305 -0.715 1.00 23.30 H new ATOM 0 HZ2 LYS A 31 -23.922 6.979 -1.192 1.00 23.30 H new ATOM 0 HZ3 LYS A 31 -22.728 7.268 -2.364 1.00 23.30 H new ATOM 487 N PHE A 32 -22.186 13.360 -1.170 1.00 51.45 N ATOM 488 CA PHE A 32 -21.317 14.465 -1.556 1.00 51.14 C ATOM 489 C PHE A 32 -21.757 15.065 -2.888 1.00 70.35 C ATOM 490 O PHE A 32 -21.859 16.282 -3.032 1.00 2.12 O ATOM 491 CB PHE A 32 -19.865 13.991 -1.652 1.00 60.25 C ATOM 492 CG PHE A 32 -18.906 15.074 -2.054 1.00 61.43 C ATOM 493 CD1 PHE A 32 -18.735 15.405 -3.389 1.00 25.32 C ATOM 494 CD2 PHE A 32 -18.175 15.761 -1.099 1.00 32.34 C ATOM 495 CE1 PHE A 32 -17.851 16.401 -3.762 1.00 70.01 C ATOM 496 CE2 PHE A 32 -17.292 16.758 -1.465 1.00 5.41 C ATOM 497 CZ PHE A 32 -17.130 17.079 -2.798 1.00 70.05 C ATOM 0 H PHE A 32 -21.694 12.497 -0.939 1.00 51.45 H new ATOM 0 HA PHE A 32 -21.390 15.236 -0.789 1.00 51.14 H new ATOM 0 HB2 PHE A 32 -19.559 13.586 -0.688 1.00 60.25 H new ATOM 0 HB3 PHE A 32 -19.804 13.177 -2.374 1.00 60.25 H new ATOM 0 HD1 PHE A 32 -19.298 14.879 -4.146 1.00 25.32 H new ATOM 0 HD2 PHE A 32 -18.297 15.514 -0.055 1.00 32.34 H new ATOM 0 HE1 PHE A 32 -17.724 16.649 -4.806 1.00 70.01 H new ATOM 0 HE2 PHE A 32 -16.729 17.286 -0.709 1.00 5.41 H new ATOM 0 HZ PHE A 32 -16.441 17.859 -3.087 1.00 70.05 H new ATOM 507 N GLY A 33 -22.017 14.198 -3.863 1.00 70.44 N ATOM 508 CA GLY A 33 -22.443 14.658 -5.172 1.00 41.43 C ATOM 509 C GLY A 33 -23.728 15.461 -5.114 1.00 25.31 C ATOM 510 O GLY A 33 -23.962 16.333 -5.951 1.00 43.34 O ATOM 0 H GLY A 33 -21.940 13.185 -3.769 1.00 70.44 H new ATOM 0 HA2 GLY A 33 -21.656 15.269 -5.613 1.00 41.43 H new ATOM 0 HA3 GLY A 33 -22.584 13.799 -5.828 1.00 41.43 H new ATOM 514 N LYS A 34 -24.563 15.166 -4.124 1.00 51.14 N ATOM 515 CA LYS A 34 -25.832 15.866 -3.960 1.00 2.41 C ATOM 516 C LYS A 34 -25.613 17.371 -3.851 1.00 44.43 C ATOM 517 O LYS A 34 -26.503 18.164 -4.167 1.00 25.40 O ATOM 518 CB LYS A 34 -26.563 15.355 -2.717 1.00 23.13 C ATOM 519 CG LYS A 34 -28.007 15.815 -2.628 1.00 13.11 C ATOM 520 CD LYS A 34 -28.826 14.908 -1.724 1.00 41.41 C ATOM 521 CE LYS A 34 -29.179 13.601 -2.418 1.00 44.41 C ATOM 522 NZ LYS A 34 -30.438 13.712 -3.204 1.00 54.42 N ATOM 0 H LYS A 34 -24.384 14.447 -3.423 1.00 51.14 H new ATOM 0 HA LYS A 34 -26.444 15.668 -4.840 1.00 2.41 H new ATOM 0 HB2 LYS A 34 -26.537 14.265 -2.713 1.00 23.13 H new ATOM 0 HB3 LYS A 34 -26.028 15.690 -1.828 1.00 23.13 H new ATOM 0 HG2 LYS A 34 -28.042 16.836 -2.248 1.00 13.11 H new ATOM 0 HG3 LYS A 34 -28.447 15.830 -3.625 1.00 13.11 H new ATOM 0 HD2 LYS A 34 -28.265 14.698 -0.813 1.00 41.41 H new ATOM 0 HD3 LYS A 34 -29.740 15.421 -1.424 1.00 41.41 H new ATOM 0 HE2 LYS A 34 -28.363 13.309 -3.079 1.00 44.41 H new ATOM 0 HE3 LYS A 34 -29.284 12.812 -1.674 1.00 44.41 H new ATOM 0 HZ1 LYS A 34 -30.643 12.801 -3.661 1.00 54.42 H new ATOM 0 HZ2 LYS A 34 -31.222 13.966 -2.570 1.00 54.42 H new ATOM 0 HZ3 LYS A 34 -30.330 14.447 -3.931 1.00 54.42 H new ATOM 536 N LEU A 35 -24.424 17.761 -3.405 1.00 62.43 N ATOM 537 CA LEU A 35 -24.087 19.173 -3.256 1.00 61.25 C ATOM 538 C LEU A 35 -23.123 19.621 -4.350 1.00 62.23 C ATOM 539 O LEU A 35 -23.021 20.809 -4.653 1.00 73.04 O ATOM 540 CB LEU A 35 -23.469 19.427 -1.880 1.00 25.12 C ATOM 541 CG LEU A 35 -24.088 18.658 -0.713 1.00 21.30 C ATOM 542 CD1 LEU A 35 -23.464 19.092 0.604 1.00 42.53 C ATOM 543 CD2 LEU A 35 -25.596 18.858 -0.682 1.00 74.04 C ATOM 0 H LEU A 35 -23.677 17.119 -3.140 1.00 62.43 H new ATOM 0 HA LEU A 35 -25.006 19.753 -3.348 1.00 61.25 H new ATOM 0 HB2 LEU A 35 -22.408 19.180 -1.929 1.00 25.12 H new ATOM 0 HB3 LEU A 35 -23.539 20.493 -1.664 1.00 25.12 H new ATOM 0 HG LEU A 35 -23.885 17.596 -0.855 1.00 21.30 H new ATOM 0 HD11 LEU A 35 -23.917 18.534 1.423 1.00 42.53 H new ATOM 0 HD12 LEU A 35 -22.392 18.896 0.581 1.00 42.53 H new ATOM 0 HD13 LEU A 35 -23.635 20.158 0.754 1.00 42.53 H new ATOM 0 HD21 LEU A 35 -26.019 18.303 0.155 1.00 74.04 H new ATOM 0 HD22 LEU A 35 -25.820 19.918 -0.565 1.00 74.04 H new ATOM 0 HD23 LEU A 35 -26.030 18.496 -1.614 1.00 74.04 H new ATOM 555 N ALA A 36 -22.418 18.661 -4.941 1.00 14.14 N ATOM 556 CA ALA A 36 -21.467 18.956 -6.004 1.00 3.33 C ATOM 557 C ALA A 36 -22.183 19.224 -7.324 1.00 22.04 C ATOM 558 O ALA A 36 -21.633 19.860 -8.222 1.00 70.04 O ATOM 559 CB ALA A 36 -20.479 17.810 -6.161 1.00 30.04 C ATOM 0 H ALA A 36 -22.488 17.672 -4.701 1.00 14.14 H new ATOM 0 HA ALA A 36 -20.920 19.858 -5.728 1.00 3.33 H new ATOM 0 HB1 ALA A 36 -19.774 18.044 -6.959 1.00 30.04 H new ATOM 0 HB2 ALA A 36 -19.936 17.668 -5.227 1.00 30.04 H new ATOM 0 HB3 ALA A 36 -21.018 16.896 -6.410 1.00 30.04 H new ATOM 565 N LYS A 37 -23.413 18.734 -7.433 1.00 52.45 N ATOM 566 CA LYS A 37 -24.206 18.921 -8.643 1.00 71.34 C ATOM 567 C LYS A 37 -24.995 20.225 -8.581 1.00 21.43 C ATOM 568 O LYS A 37 -25.827 20.498 -9.444 1.00 54.11 O ATOM 569 CB LYS A 37 -25.162 17.742 -8.837 1.00 30.30 C ATOM 570 CG LYS A 37 -25.354 17.347 -10.292 1.00 44.31 C ATOM 571 CD LYS A 37 -26.666 16.611 -10.501 1.00 41.34 C ATOM 572 CE LYS A 37 -27.848 17.568 -10.502 1.00 11.13 C ATOM 573 NZ LYS A 37 -29.089 16.917 -11.006 1.00 72.02 N ATOM 0 H LYS A 37 -23.883 18.204 -6.699 1.00 52.45 H new ATOM 0 HA LYS A 37 -23.523 18.971 -9.491 1.00 71.34 H new ATOM 0 HB2 LYS A 37 -24.783 16.883 -8.283 1.00 30.30 H new ATOM 0 HB3 LYS A 37 -26.131 17.996 -8.407 1.00 30.30 H new ATOM 0 HG2 LYS A 37 -25.332 18.239 -10.918 1.00 44.31 H new ATOM 0 HG3 LYS A 37 -24.526 16.714 -10.610 1.00 44.31 H new ATOM 0 HD2 LYS A 37 -26.634 16.070 -11.447 1.00 41.34 H new ATOM 0 HD3 LYS A 37 -26.798 15.869 -9.713 1.00 41.34 H new ATOM 0 HE2 LYS A 37 -28.017 17.937 -9.491 1.00 11.13 H new ATOM 0 HE3 LYS A 37 -27.614 18.433 -11.122 1.00 11.13 H new ATOM 0 HZ1 LYS A 37 -29.871 17.602 -10.991 1.00 72.02 H new ATOM 0 HZ2 LYS A 37 -28.937 16.587 -11.980 1.00 72.02 H new ATOM 0 HZ3 LYS A 37 -29.327 16.107 -10.399 1.00 72.02 H new ATOM 587 N GLU A 38 -24.726 21.025 -7.554 1.00 25.03 N ATOM 588 CA GLU A 38 -25.411 22.301 -7.381 1.00 63.32 C ATOM 589 C GLU A 38 -24.441 23.380 -6.908 1.00 61.42 C ATOM 590 O GLU A 38 -24.218 24.376 -7.599 1.00 30.21 O ATOM 591 CB GLU A 38 -26.559 22.156 -6.379 1.00 4.21 C ATOM 592 CG GLU A 38 -27.657 21.214 -6.842 1.00 50.55 C ATOM 593 CD GLU A 38 -28.758 21.930 -7.601 1.00 45.33 C ATOM 594 OE1 GLU A 38 -28.443 22.891 -8.335 1.00 14.31 O ATOM 595 OE2 GLU A 38 -29.932 21.531 -7.460 1.00 61.32 O ATOM 0 H GLU A 38 -24.040 20.813 -6.830 1.00 25.03 H new ATOM 0 HA GLU A 38 -25.817 22.601 -8.347 1.00 63.32 H new ATOM 0 HB2 GLU A 38 -26.159 21.796 -5.431 1.00 4.21 H new ATOM 0 HB3 GLU A 38 -26.991 23.139 -6.190 1.00 4.21 H new ATOM 0 HG2 GLU A 38 -27.224 20.443 -7.479 1.00 50.55 H new ATOM 0 HG3 GLU A 38 -28.086 20.709 -5.977 1.00 50.55 H new ATOM 602 N LEU A 39 -23.867 23.175 -5.728 1.00 52.23 N ATOM 603 CA LEU A 39 -22.921 24.130 -5.161 1.00 72.11 C ATOM 604 C LEU A 39 -21.752 24.366 -6.111 1.00 24.01 C ATOM 605 O LEU A 39 -21.385 25.508 -6.388 1.00 62.12 O ATOM 606 CB LEU A 39 -22.406 23.627 -3.811 1.00 64.05 C ATOM 607 CG LEU A 39 -23.464 23.383 -2.737 1.00 13.14 C ATOM 608 CD1 LEU A 39 -22.808 23.015 -1.415 1.00 70.25 C ATOM 609 CD2 LEU A 39 -24.349 24.610 -2.571 1.00 5.40 C ATOM 0 H LEU A 39 -24.040 22.356 -5.145 1.00 52.23 H new ATOM 0 HA LEU A 39 -23.441 25.077 -5.013 1.00 72.11 H new ATOM 0 HB2 LEU A 39 -21.864 22.696 -3.976 1.00 64.05 H new ATOM 0 HB3 LEU A 39 -21.687 24.351 -3.427 1.00 64.05 H new ATOM 0 HG LEU A 39 -24.089 22.548 -3.054 1.00 13.14 H new ATOM 0 HD11 LEU A 39 -23.577 22.845 -0.662 1.00 70.25 H new ATOM 0 HD12 LEU A 39 -22.218 22.108 -1.542 1.00 70.25 H new ATOM 0 HD13 LEU A 39 -22.158 23.828 -1.092 1.00 70.25 H new ATOM 0 HD21 LEU A 39 -25.097 24.418 -1.802 1.00 5.40 H new ATOM 0 HD22 LEU A 39 -23.737 25.463 -2.277 1.00 5.40 H new ATOM 0 HD23 LEU A 39 -24.848 24.829 -3.515 1.00 5.40 H new ATOM 621 N SER A 40 -21.170 23.279 -6.607 1.00 34.40 N ATOM 622 CA SER A 40 -20.040 23.367 -7.525 1.00 10.23 C ATOM 623 C SER A 40 -20.361 24.293 -8.693 1.00 64.02 C ATOM 624 O SER A 40 -21.085 23.918 -9.616 1.00 10.44 O ATOM 625 CB SER A 40 -19.671 21.977 -8.047 1.00 1.40 C ATOM 626 OG SER A 40 -18.268 21.845 -8.199 1.00 4.43 O ATOM 0 H SER A 40 -21.462 22.327 -6.389 1.00 34.40 H new ATOM 0 HA SER A 40 -19.191 23.779 -6.980 1.00 10.23 H new ATOM 0 HB2 SER A 40 -20.038 21.217 -7.358 1.00 1.40 H new ATOM 0 HB3 SER A 40 -20.162 21.803 -9.005 1.00 1.40 H new ATOM 0 HG SER A 40 -18.024 22.002 -9.135 1.00 4.43 H new ATOM 632 N ILE A 41 -19.817 25.505 -8.647 1.00 25.21 N ATOM 633 CA ILE A 41 -20.042 26.484 -9.701 1.00 53.52 C ATOM 634 C ILE A 41 -19.261 26.128 -10.961 1.00 21.30 C ATOM 635 O ILE A 41 -19.584 26.588 -12.056 1.00 63.42 O ATOM 636 CB ILE A 41 -19.644 27.901 -9.248 1.00 14.41 C ATOM 637 CG1 ILE A 41 -18.184 27.923 -8.791 1.00 33.22 C ATOM 638 CG2 ILE A 41 -20.561 28.378 -8.132 1.00 14.20 C ATOM 639 CD1 ILE A 41 -17.500 29.252 -9.016 1.00 11.51 C ATOM 0 H ILE A 41 -19.217 25.832 -7.890 1.00 25.21 H new ATOM 0 HA ILE A 41 -21.109 26.468 -9.922 1.00 53.52 H new ATOM 0 HB ILE A 41 -19.751 28.580 -10.094 1.00 14.41 H new ATOM 0 HG12 ILE A 41 -18.140 27.676 -7.730 1.00 33.22 H new ATOM 0 HG13 ILE A 41 -17.634 27.146 -9.322 1.00 33.22 H new ATOM 0 HG21 ILE A 41 -20.267 29.381 -7.823 1.00 14.20 H new ATOM 0 HG22 ILE A 41 -21.590 28.396 -8.490 1.00 14.20 H new ATOM 0 HG23 ILE A 41 -20.484 27.699 -7.283 1.00 14.20 H new ATOM 0 HD11 ILE A 41 -16.469 29.194 -8.669 1.00 11.51 H new ATOM 0 HD12 ILE A 41 -17.512 29.492 -10.079 1.00 11.51 H new ATOM 0 HD13 ILE A 41 -18.026 30.030 -8.463 1.00 11.51 H new ATOM 651 N ASP A 42 -18.233 25.302 -10.798 1.00 43.34 N ATOM 652 CA ASP A 42 -17.405 24.881 -11.923 1.00 33.31 C ATOM 653 C ASP A 42 -18.225 24.078 -12.928 1.00 61.32 C ATOM 654 O ASP A 42 -18.602 22.935 -12.666 1.00 41.53 O ATOM 655 CB ASP A 42 -16.222 24.047 -11.429 1.00 31.23 C ATOM 656 CG ASP A 42 -15.396 23.482 -12.567 1.00 72.24 C ATOM 657 OD1 ASP A 42 -15.480 24.026 -13.687 1.00 41.25 O ATOM 658 OD2 ASP A 42 -14.666 22.495 -12.338 1.00 74.42 O ATOM 0 H ASP A 42 -17.953 24.911 -9.899 1.00 43.34 H new ATOM 0 HA ASP A 42 -17.027 25.774 -12.420 1.00 33.31 H new ATOM 0 HB2 ASP A 42 -15.586 24.664 -10.794 1.00 31.23 H new ATOM 0 HB3 ASP A 42 -16.591 23.229 -10.811 1.00 31.23 H new ATOM 663 N SER A 43 -18.498 24.683 -14.080 1.00 25.14 N ATOM 664 CA SER A 43 -19.277 24.026 -15.122 1.00 42.35 C ATOM 665 C SER A 43 -18.706 22.648 -15.441 1.00 21.11 C ATOM 666 O SER A 43 -19.441 21.721 -15.779 1.00 11.44 O ATOM 667 CB SER A 43 -19.300 24.886 -16.388 1.00 63.02 C ATOM 668 OG SER A 43 -19.879 26.153 -16.134 1.00 10.41 O ATOM 0 H SER A 43 -18.191 25.627 -14.315 1.00 25.14 H new ATOM 0 HA SER A 43 -20.296 23.901 -14.756 1.00 42.35 H new ATOM 0 HB2 SER A 43 -18.284 25.015 -16.762 1.00 63.02 H new ATOM 0 HB3 SER A 43 -19.864 24.375 -17.168 1.00 63.02 H new ATOM 0 HG SER A 43 -19.880 26.683 -16.958 1.00 10.41 H new ATOM 674 N GLY A 44 -17.387 22.520 -15.330 1.00 30.03 N ATOM 675 CA GLY A 44 -16.738 21.252 -15.609 1.00 14.50 C ATOM 676 C GLY A 44 -16.577 20.398 -14.367 1.00 33.10 C ATOM 677 O GLY A 44 -15.507 19.842 -14.123 1.00 45.22 O ATOM 0 H GLY A 44 -16.756 23.272 -15.052 1.00 30.03 H new ATOM 0 HA2 GLY A 44 -17.321 20.704 -16.350 1.00 14.50 H new ATOM 0 HA3 GLY A 44 -15.758 21.438 -16.048 1.00 14.50 H new ATOM 681 N SER A 45 -17.642 20.295 -13.579 1.00 11.10 N ATOM 682 CA SER A 45 -17.613 19.506 -12.352 1.00 44.45 C ATOM 683 C SER A 45 -19.026 19.146 -11.904 1.00 30.01 C ATOM 684 O SER A 45 -19.299 18.005 -11.533 1.00 14.12 O ATOM 685 CB SER A 45 -16.894 20.277 -11.244 1.00 1.10 C ATOM 686 OG SER A 45 -17.746 21.252 -10.665 1.00 64.41 O ATOM 0 H SER A 45 -18.536 20.748 -13.768 1.00 11.10 H new ATOM 0 HA SER A 45 -17.070 18.583 -12.554 1.00 44.45 H new ATOM 0 HB2 SER A 45 -16.555 19.583 -10.475 1.00 1.10 H new ATOM 0 HB3 SER A 45 -16.006 20.761 -11.651 1.00 1.10 H new ATOM 0 HG SER A 45 -18.062 21.865 -11.361 1.00 64.41 H new ATOM 692 N ALA A 46 -19.920 20.129 -11.942 1.00 14.20 N ATOM 693 CA ALA A 46 -21.305 19.916 -11.542 1.00 12.52 C ATOM 694 C ALA A 46 -21.949 18.802 -12.360 1.00 62.24 C ATOM 695 O ALA A 46 -22.954 18.219 -11.953 1.00 65.41 O ATOM 696 CB ALA A 46 -22.100 21.206 -11.685 1.00 71.03 C ATOM 0 H ALA A 46 -19.710 21.080 -12.246 1.00 14.20 H new ATOM 0 HA ALA A 46 -21.312 19.612 -10.495 1.00 12.52 H new ATOM 0 HB1 ALA A 46 -23.133 21.032 -11.383 1.00 71.03 H new ATOM 0 HB2 ALA A 46 -21.661 21.976 -11.051 1.00 71.03 H new ATOM 0 HB3 ALA A 46 -22.076 21.535 -12.724 1.00 71.03 H new ATOM 702 N LYS A 47 -21.364 18.512 -13.517 1.00 61.34 N ATOM 703 CA LYS A 47 -21.879 17.467 -14.394 1.00 54.51 C ATOM 704 C LYS A 47 -21.418 16.090 -13.929 1.00 73.05 C ATOM 705 O LYS A 47 -22.044 15.076 -14.240 1.00 54.33 O ATOM 706 CB LYS A 47 -21.422 17.710 -15.835 1.00 10.53 C ATOM 707 CG LYS A 47 -22.370 17.143 -16.877 1.00 62.45 C ATOM 708 CD LYS A 47 -23.621 17.994 -17.017 1.00 24.03 C ATOM 709 CE LYS A 47 -23.408 19.142 -17.991 1.00 41.34 C ATOM 710 NZ LYS A 47 -22.810 20.331 -17.326 1.00 2.44 N ATOM 0 H LYS A 47 -20.533 18.986 -13.869 1.00 61.34 H new ATOM 0 HA LYS A 47 -22.968 17.499 -14.354 1.00 54.51 H new ATOM 0 HB2 LYS A 47 -21.316 18.783 -15.998 1.00 10.53 H new ATOM 0 HB3 LYS A 47 -20.436 17.267 -15.974 1.00 10.53 H new ATOM 0 HG2 LYS A 47 -21.861 17.083 -17.839 1.00 62.45 H new ATOM 0 HG3 LYS A 47 -22.650 16.126 -16.600 1.00 62.45 H new ATOM 0 HD2 LYS A 47 -24.448 17.373 -17.360 1.00 24.03 H new ATOM 0 HD3 LYS A 47 -23.904 18.391 -16.042 1.00 24.03 H new ATOM 0 HE2 LYS A 47 -22.757 18.814 -18.802 1.00 41.34 H new ATOM 0 HE3 LYS A 47 -24.362 19.419 -18.440 1.00 41.34 H new ATOM 0 HZ1 LYS A 47 -23.313 21.189 -17.631 1.00 2.44 H new ATOM 0 HZ2 LYS A 47 -22.892 20.230 -16.294 1.00 2.44 H new ATOM 0 HZ3 LYS A 47 -21.806 20.407 -17.587 1.00 2.44 H new ATOM 724 N LYS A 48 -20.321 16.059 -13.182 1.00 2.34 N ATOM 725 CA LYS A 48 -19.776 14.807 -12.670 1.00 1.20 C ATOM 726 C LYS A 48 -19.770 14.799 -11.145 1.00 5.13 C ATOM 727 O LYS A 48 -18.941 14.136 -10.522 1.00 34.31 O ATOM 728 CB LYS A 48 -18.356 14.591 -13.199 1.00 2.14 C ATOM 729 CG LYS A 48 -17.504 15.848 -13.182 1.00 65.23 C ATOM 730 CD LYS A 48 -17.629 16.624 -14.482 1.00 53.55 C ATOM 731 CE LYS A 48 -16.571 16.202 -15.489 1.00 33.31 C ATOM 732 NZ LYS A 48 -15.270 16.884 -15.245 1.00 25.32 N ATOM 0 H LYS A 48 -19.790 16.889 -12.917 1.00 2.34 H new ATOM 0 HA LYS A 48 -20.413 13.993 -13.016 1.00 1.20 H new ATOM 0 HB2 LYS A 48 -17.867 13.822 -12.600 1.00 2.14 H new ATOM 0 HB3 LYS A 48 -18.411 14.213 -14.220 1.00 2.14 H new ATOM 0 HG2 LYS A 48 -17.806 16.482 -12.348 1.00 65.23 H new ATOM 0 HG3 LYS A 48 -16.461 15.579 -13.017 1.00 65.23 H new ATOM 0 HD2 LYS A 48 -18.620 16.466 -14.907 1.00 53.55 H new ATOM 0 HD3 LYS A 48 -17.535 17.691 -14.280 1.00 53.55 H new ATOM 0 HE2 LYS A 48 -16.430 15.122 -15.437 1.00 33.31 H new ATOM 0 HE3 LYS A 48 -16.917 16.430 -16.497 1.00 33.31 H new ATOM 0 HZ1 LYS A 48 -14.734 16.938 -16.135 1.00 25.32 H new ATOM 0 HZ2 LYS A 48 -15.444 17.845 -14.886 1.00 25.32 H new ATOM 0 HZ3 LYS A 48 -14.722 16.346 -14.544 1.00 25.32 H new ATOM 746 N ASN A 49 -20.698 15.541 -10.550 1.00 1.32 N ATOM 747 CA ASN A 49 -20.798 15.618 -9.096 1.00 53.12 C ATOM 748 C ASN A 49 -19.449 15.963 -8.475 1.00 24.11 C ATOM 749 O ASN A 49 -19.141 15.543 -7.360 1.00 10.42 O ATOM 750 CB ASN A 49 -21.311 14.293 -8.529 1.00 23.22 C ATOM 751 CG ASN A 49 -22.754 14.021 -8.907 1.00 42.55 C ATOM 752 OD1 ASN A 49 -23.033 13.208 -9.788 1.00 41.11 O ATOM 753 ND2 ASN A 49 -23.679 14.703 -8.241 1.00 25.33 N ATOM 0 H ASN A 49 -21.391 16.097 -11.051 1.00 1.32 H new ATOM 0 HA ASN A 49 -21.504 16.410 -8.846 1.00 53.12 H new ATOM 0 HB2 ASN A 49 -20.684 13.479 -8.892 1.00 23.22 H new ATOM 0 HB3 ASN A 49 -21.219 14.306 -7.443 1.00 23.22 H new ATOM 0 HD21 ASN A 49 -24.667 14.563 -8.452 1.00 25.33 H new ATOM 0 HD22 ASN A 49 -23.401 15.367 -7.518 1.00 25.33 H new ATOM 760 N GLY A 50 -18.645 16.731 -9.206 1.00 32.31 N ATOM 761 CA GLY A 50 -17.338 17.119 -8.711 1.00 10.44 C ATOM 762 C GLY A 50 -16.474 15.925 -8.355 1.00 72.13 C ATOM 763 O GLY A 50 -15.520 16.046 -7.588 1.00 14.53 O ATOM 0 H GLY A 50 -18.877 17.091 -10.132 1.00 32.31 H new ATOM 0 HA2 GLY A 50 -16.830 17.718 -9.467 1.00 10.44 H new ATOM 0 HA3 GLY A 50 -17.459 17.751 -7.831 1.00 10.44 H new ATOM 767 N ASN A 51 -16.809 14.767 -8.915 1.00 62.05 N ATOM 768 CA ASN A 51 -16.057 13.545 -8.652 1.00 54.25 C ATOM 769 C ASN A 51 -15.006 13.309 -9.733 1.00 11.53 C ATOM 770 O ASN A 51 -15.230 12.551 -10.676 1.00 24.31 O ATOM 771 CB ASN A 51 -17.004 12.346 -8.577 1.00 32.14 C ATOM 772 CG ASN A 51 -16.263 11.023 -8.575 1.00 73.25 C ATOM 773 OD1 ASN A 51 -16.639 10.089 -9.284 1.00 25.34 O ATOM 774 ND2 ASN A 51 -15.204 10.939 -7.779 1.00 34.30 N ATOM 0 H ASN A 51 -17.596 14.649 -9.553 1.00 62.05 H new ATOM 0 HA ASN A 51 -15.549 13.660 -7.695 1.00 54.25 H new ATOM 0 HB2 ASN A 51 -17.610 12.421 -7.674 1.00 32.14 H new ATOM 0 HB3 ASN A 51 -17.689 12.374 -9.424 1.00 32.14 H new ATOM 0 HD21 ASN A 51 -14.665 10.074 -7.737 1.00 34.30 H new ATOM 0 HD22 ASN A 51 -14.930 11.739 -7.209 1.00 34.30 H new ATOM 781 N LEU A 52 -13.860 13.965 -9.587 1.00 43.45 N ATOM 782 CA LEU A 52 -12.773 13.826 -10.550 1.00 44.42 C ATOM 783 C LEU A 52 -12.168 12.428 -10.493 1.00 31.32 C ATOM 784 O LEU A 52 -11.415 12.028 -11.380 1.00 53.13 O ATOM 785 CB LEU A 52 -11.690 14.873 -10.281 1.00 2.54 C ATOM 786 CG LEU A 52 -11.151 14.928 -8.851 1.00 23.00 C ATOM 787 CD1 LEU A 52 -9.919 14.045 -8.711 1.00 34.01 C ATOM 788 CD2 LEU A 52 -10.828 16.362 -8.457 1.00 21.23 C ATOM 0 H LEU A 52 -13.660 14.597 -8.812 1.00 43.45 H new ATOM 0 HA LEU A 52 -13.184 13.983 -11.547 1.00 44.42 H new ATOM 0 HB2 LEU A 52 -10.855 14.685 -10.956 1.00 2.54 H new ATOM 0 HB3 LEU A 52 -12.090 15.854 -10.535 1.00 2.54 H new ATOM 0 HG LEU A 52 -11.922 14.552 -8.178 1.00 23.00 H new ATOM 0 HD11 LEU A 52 -9.549 14.096 -7.687 1.00 34.01 H new ATOM 0 HD12 LEU A 52 -10.181 13.014 -8.951 1.00 34.01 H new ATOM 0 HD13 LEU A 52 -9.144 14.391 -9.395 1.00 34.01 H new ATOM 0 HD21 LEU A 52 -10.446 16.382 -7.436 1.00 21.23 H new ATOM 0 HD22 LEU A 52 -10.075 16.765 -9.134 1.00 21.23 H new ATOM 0 HD23 LEU A 52 -11.732 16.968 -8.518 1.00 21.23 H new ATOM 800 N GLY A 53 -12.506 11.685 -9.442 1.00 4.51 N ATOM 801 CA GLY A 53 -11.990 10.338 -9.289 1.00 32.44 C ATOM 802 C GLY A 53 -10.553 10.319 -8.808 1.00 64.43 C ATOM 803 O GLY A 53 -10.209 10.982 -7.830 1.00 54.44 O ATOM 0 H GLY A 53 -13.128 11.993 -8.695 1.00 4.51 H new ATOM 0 HA2 GLY A 53 -12.614 9.791 -8.582 1.00 32.44 H new ATOM 0 HA3 GLY A 53 -12.057 9.816 -10.243 1.00 32.44 H new ATOM 807 N TYR A 54 -9.711 9.555 -9.495 1.00 21.40 N ATOM 808 CA TYR A 54 -8.304 9.448 -9.130 1.00 42.13 C ATOM 809 C TYR A 54 -7.490 10.573 -9.762 1.00 3.24 C ATOM 810 O TYR A 54 -7.679 10.912 -10.930 1.00 14.33 O ATOM 811 CB TYR A 54 -7.743 8.092 -9.565 1.00 52.22 C ATOM 812 CG TYR A 54 -7.715 7.064 -8.458 1.00 2.54 C ATOM 813 CD1 TYR A 54 -8.795 6.911 -7.597 1.00 54.21 C ATOM 814 CD2 TYR A 54 -6.608 6.246 -8.270 1.00 74.25 C ATOM 815 CE1 TYR A 54 -8.773 5.974 -6.583 1.00 32.04 C ATOM 816 CE2 TYR A 54 -6.578 5.304 -7.259 1.00 70.25 C ATOM 817 CZ TYR A 54 -7.663 5.173 -6.418 1.00 50.14 C ATOM 818 OH TYR A 54 -7.638 4.237 -5.410 1.00 3.31 O ATOM 0 H TYR A 54 -9.979 9.000 -10.308 1.00 21.40 H new ATOM 0 HA TYR A 54 -8.229 9.534 -8.046 1.00 42.13 H new ATOM 0 HB2 TYR A 54 -8.343 7.708 -10.390 1.00 52.22 H new ATOM 0 HB3 TYR A 54 -6.731 8.232 -9.945 1.00 52.22 H new ATOM 0 HD1 TYR A 54 -9.667 7.536 -7.723 1.00 54.21 H new ATOM 0 HD2 TYR A 54 -5.756 6.348 -8.925 1.00 74.25 H new ATOM 0 HE1 TYR A 54 -9.621 5.869 -5.922 1.00 32.04 H new ATOM 0 HE2 TYR A 54 -5.710 4.674 -7.128 1.00 70.25 H new ATOM 0 HH TYR A 54 -6.785 3.755 -5.432 1.00 3.31 H new ATOM 828 N PHE A 55 -6.583 11.149 -8.980 1.00 3.12 N ATOM 829 CA PHE A 55 -5.740 12.238 -9.460 1.00 62.22 C ATOM 830 C PHE A 55 -4.307 12.077 -8.961 1.00 3.42 C ATOM 831 O PHE A 55 -3.983 11.113 -8.265 1.00 33.03 O ATOM 832 CB PHE A 55 -6.302 13.586 -9.006 1.00 44.12 C ATOM 833 CG PHE A 55 -5.795 14.025 -7.662 1.00 33.12 C ATOM 834 CD1 PHE A 55 -5.873 13.179 -6.567 1.00 70.25 C ATOM 835 CD2 PHE A 55 -5.240 15.283 -7.492 1.00 70.14 C ATOM 836 CE1 PHE A 55 -5.407 13.580 -5.329 1.00 54.43 C ATOM 837 CE2 PHE A 55 -4.772 15.690 -6.257 1.00 73.25 C ATOM 838 CZ PHE A 55 -4.855 14.837 -5.175 1.00 32.12 C ATOM 0 H PHE A 55 -6.413 10.880 -8.011 1.00 3.12 H new ATOM 0 HA PHE A 55 -5.733 12.205 -10.549 1.00 62.22 H new ATOM 0 HB2 PHE A 55 -6.048 14.344 -9.747 1.00 44.12 H new ATOM 0 HB3 PHE A 55 -7.390 13.524 -8.973 1.00 44.12 H new ATOM 0 HD1 PHE A 55 -6.303 12.195 -6.682 1.00 70.25 H new ATOM 0 HD2 PHE A 55 -5.172 15.954 -8.335 1.00 70.14 H new ATOM 0 HE1 PHE A 55 -5.474 12.912 -4.483 1.00 54.43 H new ATOM 0 HE2 PHE A 55 -4.342 16.674 -6.139 1.00 73.25 H new ATOM 0 HZ PHE A 55 -4.489 15.152 -4.209 1.00 32.12 H new ATOM 848 N THR A 56 -3.451 13.028 -9.321 1.00 1.15 N ATOM 849 CA THR A 56 -2.052 12.993 -8.912 1.00 33.42 C ATOM 850 C THR A 56 -1.504 14.400 -8.704 1.00 71.30 C ATOM 851 O THR A 56 -2.225 15.387 -8.855 1.00 65.43 O ATOM 852 CB THR A 56 -1.181 12.262 -9.951 1.00 54.50 C ATOM 853 OG1 THR A 56 -1.098 13.038 -11.152 1.00 33.33 O ATOM 854 CG2 THR A 56 -1.753 10.888 -10.266 1.00 43.54 C ATOM 0 H THR A 56 -3.702 13.833 -9.895 1.00 1.15 H new ATOM 0 HA THR A 56 -2.012 12.448 -7.969 1.00 33.42 H new ATOM 0 HB THR A 56 -0.183 12.134 -9.532 1.00 54.50 H new ATOM 0 HG1 THR A 56 -0.541 12.568 -11.807 1.00 33.33 H new ATOM 0 HG21 THR A 56 -1.121 10.391 -11.002 1.00 43.54 H new ATOM 0 HG22 THR A 56 -1.788 10.291 -9.355 1.00 43.54 H new ATOM 0 HG23 THR A 56 -2.761 10.997 -10.667 1.00 43.54 H new ATOM 862 N LYS A 57 -0.224 14.486 -8.358 1.00 30.25 N ATOM 863 CA LYS A 57 0.423 15.773 -8.131 1.00 71.24 C ATOM 864 C LYS A 57 0.854 16.405 -9.451 1.00 33.21 C ATOM 865 O LYS A 57 1.801 15.947 -10.089 1.00 52.34 O ATOM 866 CB LYS A 57 1.636 15.603 -7.214 1.00 41.13 C ATOM 867 CG LYS A 57 1.344 14.792 -5.962 1.00 51.54 C ATOM 868 CD LYS A 57 2.276 15.171 -4.823 1.00 42.42 C ATOM 869 CE LYS A 57 2.535 13.992 -3.900 1.00 21.44 C ATOM 870 NZ LYS A 57 1.308 13.586 -3.160 1.00 41.21 N ATOM 0 H LYS A 57 0.386 13.679 -8.229 1.00 30.25 H new ATOM 0 HA LYS A 57 -0.298 16.434 -7.650 1.00 71.24 H new ATOM 0 HB2 LYS A 57 2.437 15.119 -7.772 1.00 41.13 H new ATOM 0 HB3 LYS A 57 2.001 16.588 -6.922 1.00 41.13 H new ATOM 0 HG2 LYS A 57 0.310 14.952 -5.656 1.00 51.54 H new ATOM 0 HG3 LYS A 57 1.450 13.730 -6.182 1.00 51.54 H new ATOM 0 HD2 LYS A 57 3.221 15.531 -5.229 1.00 42.42 H new ATOM 0 HD3 LYS A 57 1.841 15.992 -4.253 1.00 42.42 H new ATOM 0 HE2 LYS A 57 2.903 13.148 -4.484 1.00 21.44 H new ATOM 0 HE3 LYS A 57 3.318 14.253 -3.188 1.00 21.44 H new ATOM 0 HZ1 LYS A 57 1.550 13.392 -2.167 1.00 41.21 H new ATOM 0 HZ2 LYS A 57 0.607 14.353 -3.202 1.00 41.21 H new ATOM 0 HZ3 LYS A 57 0.909 12.729 -3.593 1.00 41.21 H new ATOM 884 N GLY A 58 0.154 17.461 -9.853 1.00 34.34 N ATOM 885 CA GLY A 58 0.480 18.139 -11.094 1.00 33.25 C ATOM 886 C GLY A 58 -0.701 18.216 -12.041 1.00 3.12 C ATOM 887 O GLY A 58 -0.559 18.637 -13.189 1.00 5.25 O ATOM 0 H GLY A 58 -0.633 17.859 -9.341 1.00 34.34 H new ATOM 0 HA2 GLY A 58 0.830 19.147 -10.872 1.00 33.25 H new ATOM 0 HA3 GLY A 58 1.302 17.617 -11.585 1.00 33.25 H new ATOM 891 N MET A 59 -1.871 17.806 -11.560 1.00 45.50 N ATOM 892 CA MET A 59 -3.081 17.830 -12.373 1.00 45.32 C ATOM 893 C MET A 59 -4.073 18.859 -11.840 1.00 32.00 C ATOM 894 O MET A 59 -5.178 18.998 -12.365 1.00 2.23 O ATOM 895 CB MET A 59 -3.730 16.445 -12.402 1.00 44.20 C ATOM 896 CG MET A 59 -2.770 15.332 -12.790 1.00 44.13 C ATOM 897 SD MET A 59 -3.564 14.037 -13.762 1.00 5.32 S ATOM 898 CE MET A 59 -3.559 14.784 -15.390 1.00 5.45 C ATOM 0 H MET A 59 -2.006 17.454 -10.612 1.00 45.50 H new ATOM 0 HA MET A 59 -2.801 18.113 -13.388 1.00 45.32 H new ATOM 0 HB2 MET A 59 -4.147 16.228 -11.419 1.00 44.20 H new ATOM 0 HB3 MET A 59 -4.562 16.457 -13.106 1.00 44.20 H new ATOM 0 HG2 MET A 59 -1.943 15.754 -13.361 1.00 44.13 H new ATOM 0 HG3 MET A 59 -2.344 14.894 -11.887 1.00 44.13 H new ATOM 0 HE1 MET A 59 -4.019 14.102 -16.105 1.00 5.45 H new ATOM 0 HE2 MET A 59 -4.122 15.717 -15.364 1.00 5.45 H new ATOM 0 HE3 MET A 59 -2.532 14.989 -15.693 1.00 5.45 H new ATOM 908 N MET A 60 -3.672 19.575 -10.795 1.00 50.10 N ATOM 909 CA MET A 60 -4.527 20.591 -10.193 1.00 32.22 C ATOM 910 C MET A 60 -3.727 21.846 -9.858 1.00 31.25 C ATOM 911 O MET A 60 -2.575 21.986 -10.265 1.00 42.53 O ATOM 912 CB MET A 60 -5.194 20.044 -8.928 1.00 65.04 C ATOM 913 CG MET A 60 -5.923 18.728 -9.147 1.00 12.43 C ATOM 914 SD MET A 60 -7.550 18.952 -9.891 1.00 52.21 S ATOM 915 CE MET A 60 -7.833 17.324 -10.583 1.00 43.11 C ATOM 0 H MET A 60 -2.761 19.471 -10.348 1.00 50.10 H new ATOM 0 HA MET A 60 -5.299 20.855 -10.916 1.00 32.22 H new ATOM 0 HB2 MET A 60 -4.435 19.906 -8.158 1.00 65.04 H new ATOM 0 HB3 MET A 60 -5.901 20.783 -8.551 1.00 65.04 H new ATOM 0 HG2 MET A 60 -5.320 18.085 -9.788 1.00 12.43 H new ATOM 0 HG3 MET A 60 -6.032 18.214 -8.192 1.00 12.43 H new ATOM 0 HE1 MET A 60 -8.803 17.303 -11.079 1.00 43.11 H new ATOM 0 HE2 MET A 60 -7.051 17.095 -11.307 1.00 43.11 H new ATOM 0 HE3 MET A 60 -7.817 16.582 -9.785 1.00 43.11 H new ATOM 925 N VAL A 61 -4.347 22.755 -9.112 1.00 5.54 N ATOM 926 CA VAL A 61 -3.692 23.998 -8.720 1.00 45.32 C ATOM 927 C VAL A 61 -3.059 23.875 -7.338 1.00 65.42 C ATOM 928 O VAL A 61 -3.285 22.898 -6.625 1.00 24.15 O ATOM 929 CB VAL A 61 -4.681 25.178 -8.716 1.00 74.44 C ATOM 930 CG1 VAL A 61 -5.368 25.302 -10.068 1.00 14.11 C ATOM 931 CG2 VAL A 61 -5.704 25.011 -7.603 1.00 24.40 C ATOM 0 H VAL A 61 -5.302 22.654 -8.767 1.00 5.54 H new ATOM 0 HA VAL A 61 -2.913 24.190 -9.458 1.00 45.32 H new ATOM 0 HB VAL A 61 -4.124 26.097 -8.532 1.00 74.44 H new ATOM 0 HG11 VAL A 61 -6.063 26.141 -10.047 1.00 14.11 H new ATOM 0 HG12 VAL A 61 -4.620 25.470 -10.842 1.00 14.11 H new ATOM 0 HG13 VAL A 61 -5.914 24.384 -10.284 1.00 14.11 H new ATOM 0 HG21 VAL A 61 -6.395 25.854 -7.615 1.00 24.40 H new ATOM 0 HG22 VAL A 61 -6.258 24.085 -7.754 1.00 24.40 H new ATOM 0 HG23 VAL A 61 -5.193 24.975 -6.641 1.00 24.40 H new ATOM 941 N LYS A 62 -2.266 24.873 -6.967 1.00 4.44 N ATOM 942 CA LYS A 62 -1.600 24.880 -5.669 1.00 21.01 C ATOM 943 C LYS A 62 -2.617 24.797 -4.535 1.00 54.13 C ATOM 944 O LYS A 62 -2.602 23.874 -3.721 1.00 4.15 O ATOM 945 CB LYS A 62 -0.751 26.143 -5.514 1.00 71.33 C ATOM 946 CG LYS A 62 -0.639 26.630 -4.079 1.00 62.30 C ATOM 947 CD LYS A 62 0.472 27.653 -3.922 1.00 41.54 C ATOM 948 CE LYS A 62 0.759 27.944 -2.457 1.00 45.22 C ATOM 949 NZ LYS A 62 1.239 26.734 -1.736 1.00 21.32 N ATOM 0 H LYS A 62 -2.068 25.689 -7.547 1.00 4.44 H new ATOM 0 HA LYS A 62 -0.952 24.005 -5.618 1.00 21.01 H new ATOM 0 HB2 LYS A 62 0.249 25.948 -5.901 1.00 71.33 H new ATOM 0 HB3 LYS A 62 -1.181 26.937 -6.125 1.00 71.33 H new ATOM 0 HG2 LYS A 62 -1.587 27.070 -3.768 1.00 62.30 H new ATOM 0 HG3 LYS A 62 -0.450 25.783 -3.420 1.00 62.30 H new ATOM 0 HD2 LYS A 62 1.377 27.285 -4.405 1.00 41.54 H new ATOM 0 HD3 LYS A 62 0.192 28.576 -4.429 1.00 41.54 H new ATOM 0 HE2 LYS A 62 1.508 28.732 -2.383 1.00 45.22 H new ATOM 0 HE3 LYS A 62 -0.145 28.318 -1.977 1.00 45.22 H new ATOM 0 HZ1 LYS A 62 1.765 27.022 -0.886 1.00 21.32 H new ATOM 0 HZ2 LYS A 62 0.425 26.150 -1.458 1.00 21.32 H new ATOM 0 HZ3 LYS A 62 1.863 26.183 -2.359 1.00 21.32 H new ATOM 963 N PRO A 63 -3.526 25.783 -4.481 1.00 23.34 N ATOM 964 CA PRO A 63 -4.569 25.842 -3.453 1.00 61.14 C ATOM 965 C PRO A 63 -5.620 24.750 -3.630 1.00 2.54 C ATOM 966 O PRO A 63 -6.821 25.014 -3.562 1.00 30.32 O ATOM 967 CB PRO A 63 -5.194 27.224 -3.661 1.00 5.14 C ATOM 968 CG PRO A 63 -4.927 27.549 -5.090 1.00 32.02 C ATOM 969 CD PRO A 63 -3.604 26.915 -5.419 1.00 70.33 C ATOM 0 HA PRO A 63 -4.165 25.688 -2.453 1.00 61.14 H new ATOM 0 HB2 PRO A 63 -6.264 27.210 -3.451 1.00 5.14 H new ATOM 0 HB3 PRO A 63 -4.748 27.964 -2.997 1.00 5.14 H new ATOM 0 HG2 PRO A 63 -5.717 27.160 -5.733 1.00 32.02 H new ATOM 0 HG3 PRO A 63 -4.892 28.627 -5.245 1.00 32.02 H new ATOM 0 HD2 PRO A 63 -3.565 26.581 -6.456 1.00 70.33 H new ATOM 0 HD3 PRO A 63 -2.778 27.612 -5.277 1.00 70.33 H new ATOM 977 N PHE A 64 -5.161 23.525 -3.856 1.00 64.43 N ATOM 978 CA PHE A 64 -6.061 22.393 -4.043 1.00 63.15 C ATOM 979 C PHE A 64 -5.300 21.073 -3.966 1.00 22.22 C ATOM 980 O PHE A 64 -5.578 20.233 -3.110 1.00 14.33 O ATOM 981 CB PHE A 64 -6.779 22.503 -5.391 1.00 21.40 C ATOM 982 CG PHE A 64 -7.686 21.341 -5.682 1.00 51.21 C ATOM 983 CD1 PHE A 64 -7.182 20.172 -6.229 1.00 72.24 C ATOM 984 CD2 PHE A 64 -9.042 21.419 -5.411 1.00 11.21 C ATOM 985 CE1 PHE A 64 -8.014 19.101 -6.498 1.00 54.11 C ATOM 986 CE2 PHE A 64 -9.879 20.353 -5.678 1.00 30.30 C ATOM 987 CZ PHE A 64 -9.364 19.193 -6.223 1.00 73.34 C ATOM 0 H PHE A 64 -4.170 23.290 -3.914 1.00 64.43 H new ATOM 0 HA PHE A 64 -6.800 22.413 -3.242 1.00 63.15 H new ATOM 0 HB2 PHE A 64 -7.363 23.423 -5.409 1.00 21.40 H new ATOM 0 HB3 PHE A 64 -6.036 22.582 -6.184 1.00 21.40 H new ATOM 0 HD1 PHE A 64 -6.127 20.097 -6.448 1.00 72.24 H new ATOM 0 HD2 PHE A 64 -9.450 22.324 -4.986 1.00 11.21 H new ATOM 0 HE1 PHE A 64 -7.609 18.194 -6.922 1.00 54.11 H new ATOM 0 HE2 PHE A 64 -10.934 20.426 -5.461 1.00 30.30 H new ATOM 0 HZ PHE A 64 -10.017 18.359 -6.434 1.00 73.34 H new ATOM 997 N GLU A 65 -4.338 20.898 -4.866 1.00 62.42 N ATOM 998 CA GLU A 65 -3.537 19.679 -4.899 1.00 44.33 C ATOM 999 C GLU A 65 -2.956 19.372 -3.523 1.00 25.11 C ATOM 1000 O GLU A 65 -3.070 18.251 -3.026 1.00 25.24 O ATOM 1001 CB GLU A 65 -2.408 19.813 -5.924 1.00 1.15 C ATOM 1002 CG GLU A 65 -1.432 18.648 -5.909 1.00 41.51 C ATOM 1003 CD GLU A 65 -0.243 18.871 -6.824 1.00 2.42 C ATOM 1004 OE1 GLU A 65 -0.448 19.374 -7.949 1.00 5.53 O ATOM 1005 OE2 GLU A 65 0.890 18.545 -6.415 1.00 24.42 O ATOM 0 H GLU A 65 -4.094 21.583 -5.581 1.00 62.42 H new ATOM 0 HA GLU A 65 -4.188 18.855 -5.191 1.00 44.33 H new ATOM 0 HB2 GLU A 65 -2.841 19.900 -6.920 1.00 1.15 H new ATOM 0 HB3 GLU A 65 -1.862 20.736 -5.732 1.00 1.15 H new ATOM 0 HG2 GLU A 65 -1.077 18.489 -4.891 1.00 41.51 H new ATOM 0 HG3 GLU A 65 -1.952 17.739 -6.211 1.00 41.51 H new ATOM 1012 N ASP A 66 -2.333 20.374 -2.913 1.00 62.41 N ATOM 1013 CA ASP A 66 -1.734 20.212 -1.593 1.00 61.12 C ATOM 1014 C ASP A 66 -2.773 19.744 -0.579 1.00 1.52 C ATOM 1015 O ASP A 66 -2.479 18.929 0.294 1.00 24.35 O ATOM 1016 CB ASP A 66 -1.105 21.527 -1.129 1.00 52.52 C ATOM 1017 CG ASP A 66 -0.378 21.388 0.193 1.00 64.42 C ATOM 1018 OD1 ASP A 66 -1.042 21.083 1.206 1.00 51.52 O ATOM 1019 OD2 ASP A 66 0.856 21.582 0.215 1.00 32.31 O ATOM 0 H ASP A 66 -2.229 21.307 -3.311 1.00 62.41 H new ATOM 0 HA ASP A 66 -0.955 19.453 -1.665 1.00 61.12 H new ATOM 0 HB2 ASP A 66 -0.407 21.880 -1.888 1.00 52.52 H new ATOM 0 HB3 ASP A 66 -1.883 22.285 -1.034 1.00 52.52 H new ATOM 1024 N ALA A 67 -3.988 20.269 -0.699 1.00 44.13 N ATOM 1025 CA ALA A 67 -5.070 19.905 0.207 1.00 32.30 C ATOM 1026 C ALA A 67 -6.056 18.957 -0.469 1.00 43.51 C ATOM 1027 O ALA A 67 -7.260 19.021 -0.223 1.00 73.31 O ATOM 1028 CB ALA A 67 -5.788 21.152 0.700 1.00 51.23 C ATOM 0 H ALA A 67 -4.247 20.948 -1.415 1.00 44.13 H new ATOM 0 HA ALA A 67 -4.636 19.387 1.062 1.00 32.30 H new ATOM 0 HB1 ALA A 67 -6.594 20.865 1.376 1.00 51.23 H new ATOM 0 HB2 ALA A 67 -5.082 21.793 1.228 1.00 51.23 H new ATOM 0 HB3 ALA A 67 -6.203 21.693 -0.150 1.00 51.23 H new ATOM 1034 N ALA A 68 -5.537 18.080 -1.322 1.00 51.12 N ATOM 1035 CA ALA A 68 -6.372 17.119 -2.031 1.00 45.24 C ATOM 1036 C ALA A 68 -6.014 15.689 -1.643 1.00 60.41 C ATOM 1037 O ALA A 68 -6.824 14.773 -1.792 1.00 32.02 O ATOM 1038 CB ALA A 68 -6.234 17.310 -3.535 1.00 34.13 C ATOM 0 H ALA A 68 -4.542 18.015 -1.539 1.00 51.12 H new ATOM 0 HA ALA A 68 -7.409 17.296 -1.746 1.00 45.24 H new ATOM 0 HB1 ALA A 68 -6.863 16.586 -4.053 1.00 34.13 H new ATOM 0 HB2 ALA A 68 -6.546 18.319 -3.804 1.00 34.13 H new ATOM 0 HB3 ALA A 68 -5.194 17.162 -3.827 1.00 34.13 H new ATOM 1044 N PHE A 69 -4.797 15.503 -1.144 1.00 20.12 N ATOM 1045 CA PHE A 69 -4.332 14.183 -0.734 1.00 62.25 C ATOM 1046 C PHE A 69 -3.954 14.173 0.744 1.00 43.35 C ATOM 1047 O PHE A 69 -3.510 13.156 1.277 1.00 75.13 O ATOM 1048 CB PHE A 69 -3.130 13.757 -1.582 1.00 52.24 C ATOM 1049 CG PHE A 69 -2.135 14.859 -1.807 1.00 74.14 C ATOM 1050 CD1 PHE A 69 -1.486 15.454 -0.738 1.00 31.21 C ATOM 1051 CD2 PHE A 69 -1.847 15.299 -3.089 1.00 71.02 C ATOM 1052 CE1 PHE A 69 -0.570 16.468 -0.942 1.00 40.12 C ATOM 1053 CE2 PHE A 69 -0.932 16.313 -3.301 1.00 25.23 C ATOM 1054 CZ PHE A 69 -0.292 16.897 -2.225 1.00 42.32 C ATOM 0 H PHE A 69 -4.114 16.250 -1.014 1.00 20.12 H new ATOM 0 HA PHE A 69 -5.147 13.475 -0.887 1.00 62.25 H new ATOM 0 HB2 PHE A 69 -2.630 12.920 -1.094 1.00 52.24 H new ATOM 0 HB3 PHE A 69 -3.486 13.397 -2.547 1.00 52.24 H new ATOM 0 HD1 PHE A 69 -1.698 15.121 0.267 1.00 31.21 H new ATOM 0 HD2 PHE A 69 -2.344 14.844 -3.933 1.00 71.02 H new ATOM 0 HE1 PHE A 69 -0.072 16.925 -0.099 1.00 40.12 H new ATOM 0 HE2 PHE A 69 -0.718 16.648 -4.305 1.00 25.23 H new ATOM 0 HZ PHE A 69 0.425 17.688 -2.387 1.00 42.32 H new ATOM 1064 N LYS A 70 -4.132 15.315 1.401 1.00 31.22 N ATOM 1065 CA LYS A 70 -3.811 15.440 2.818 1.00 52.25 C ATOM 1066 C LYS A 70 -5.033 15.142 3.680 1.00 35.24 C ATOM 1067 O LYS A 70 -5.055 15.452 4.872 1.00 43.41 O ATOM 1068 CB LYS A 70 -3.290 16.847 3.121 1.00 32.44 C ATOM 1069 CG LYS A 70 -4.388 17.887 3.253 1.00 33.12 C ATOM 1070 CD LYS A 70 -3.818 19.269 3.521 1.00 1.53 C ATOM 1071 CE LYS A 70 -4.907 20.255 3.917 1.00 23.12 C ATOM 1072 NZ LYS A 70 -4.443 21.665 3.811 1.00 55.53 N ATOM 0 H LYS A 70 -4.497 16.167 0.975 1.00 31.22 H new ATOM 0 HA LYS A 70 -3.035 14.713 3.056 1.00 52.25 H new ATOM 0 HB2 LYS A 70 -2.713 16.820 4.046 1.00 32.44 H new ATOM 0 HB3 LYS A 70 -2.607 17.151 2.328 1.00 32.44 H new ATOM 0 HG2 LYS A 70 -4.982 17.908 2.339 1.00 33.12 H new ATOM 0 HG3 LYS A 70 -5.061 17.606 4.064 1.00 33.12 H new ATOM 0 HD2 LYS A 70 -3.074 19.209 4.315 1.00 1.53 H new ATOM 0 HD3 LYS A 70 -3.305 19.631 2.630 1.00 1.53 H new ATOM 0 HE2 LYS A 70 -5.778 20.110 3.278 1.00 23.12 H new ATOM 0 HE3 LYS A 70 -5.225 20.053 4.940 1.00 23.12 H new ATOM 0 HZ1 LYS A 70 -5.264 22.293 3.702 1.00 55.53 H new ATOM 0 HZ2 LYS A 70 -3.921 21.924 4.672 1.00 55.53 H new ATOM 0 HZ3 LYS A 70 -3.819 21.764 2.985 1.00 55.53 H new ATOM 1086 N LEU A 71 -6.048 14.538 3.072 1.00 34.41 N ATOM 1087 CA LEU A 71 -7.274 14.196 3.786 1.00 40.43 C ATOM 1088 C LEU A 71 -7.319 12.705 4.107 1.00 53.31 C ATOM 1089 O LEU A 71 -6.504 11.929 3.611 1.00 41.41 O ATOM 1090 CB LEU A 71 -8.497 14.587 2.954 1.00 11.50 C ATOM 1091 CG LEU A 71 -8.375 15.882 2.149 1.00 32.14 C ATOM 1092 CD1 LEU A 71 -9.519 16.001 1.155 1.00 11.41 C ATOM 1093 CD2 LEU A 71 -8.344 17.087 3.078 1.00 55.12 C ATOM 0 H LEU A 71 -6.047 14.275 2.087 1.00 34.41 H new ATOM 0 HA LEU A 71 -7.287 14.751 4.724 1.00 40.43 H new ATOM 0 HB2 LEU A 71 -8.717 13.773 2.264 1.00 11.50 H new ATOM 0 HB3 LEU A 71 -9.353 14.678 3.623 1.00 11.50 H new ATOM 0 HG LEU A 71 -7.438 15.855 1.592 1.00 32.14 H new ATOM 0 HD11 LEU A 71 -9.416 16.928 0.591 1.00 11.41 H new ATOM 0 HD12 LEU A 71 -9.494 15.154 0.469 1.00 11.41 H new ATOM 0 HD13 LEU A 71 -10.468 16.006 1.691 1.00 11.41 H new ATOM 0 HD21 LEU A 71 -8.257 17.999 2.488 1.00 55.12 H new ATOM 0 HD22 LEU A 71 -9.263 17.119 3.663 1.00 55.12 H new ATOM 0 HD23 LEU A 71 -7.489 17.007 3.750 1.00 55.12 H new ATOM 1105 N GLN A 72 -8.279 12.315 4.938 1.00 33.44 N ATOM 1106 CA GLN A 72 -8.431 10.916 5.325 1.00 75.02 C ATOM 1107 C GLN A 72 -9.428 10.206 4.415 1.00 12.44 C ATOM 1108 O GLN A 72 -10.145 10.844 3.644 1.00 33.22 O ATOM 1109 CB GLN A 72 -8.889 10.814 6.781 1.00 14.22 C ATOM 1110 CG GLN A 72 -8.127 9.774 7.586 1.00 4.34 C ATOM 1111 CD GLN A 72 -8.320 9.939 9.082 1.00 61.33 C ATOM 1112 OE1 GLN A 72 -7.943 10.959 9.659 1.00 31.42 O ATOM 1113 NE2 GLN A 72 -8.910 8.933 9.717 1.00 63.32 N ATOM 0 H GLN A 72 -8.963 12.946 5.356 1.00 33.44 H new ATOM 0 HA GLN A 72 -7.461 10.429 5.222 1.00 75.02 H new ATOM 0 HB2 GLN A 72 -8.774 11.787 7.259 1.00 14.22 H new ATOM 0 HB3 GLN A 72 -9.952 10.572 6.803 1.00 14.22 H new ATOM 0 HG2 GLN A 72 -8.455 8.778 7.289 1.00 4.34 H new ATOM 0 HG3 GLN A 72 -7.065 9.844 7.350 1.00 4.34 H new ATOM 0 HE21 GLN A 72 -9.206 8.106 9.198 1.00 63.32 H new ATOM 0 HE22 GLN A 72 -9.067 8.987 10.723 1.00 63.32 H new ATOM 1122 N VAL A 73 -9.469 8.880 4.511 1.00 11.20 N ATOM 1123 CA VAL A 73 -10.378 8.082 3.697 1.00 55.52 C ATOM 1124 C VAL A 73 -11.832 8.420 4.008 1.00 74.12 C ATOM 1125 O VAL A 73 -12.402 7.922 4.979 1.00 40.11 O ATOM 1126 CB VAL A 73 -10.154 6.575 3.918 1.00 52.44 C ATOM 1127 CG1 VAL A 73 -11.065 5.761 3.012 1.00 1.12 C ATOM 1128 CG2 VAL A 73 -8.694 6.214 3.683 1.00 52.31 C ATOM 0 H VAL A 73 -8.883 8.336 5.145 1.00 11.20 H new ATOM 0 HA VAL A 73 -10.166 8.323 2.655 1.00 55.52 H new ATOM 0 HB VAL A 73 -10.402 6.336 4.952 1.00 52.44 H new ATOM 0 HG11 VAL A 73 -10.892 4.698 3.182 1.00 1.12 H new ATOM 0 HG12 VAL A 73 -12.105 6.000 3.233 1.00 1.12 H new ATOM 0 HG13 VAL A 73 -10.851 6.001 1.970 1.00 1.12 H new ATOM 0 HG21 VAL A 73 -8.553 5.145 3.843 1.00 52.31 H new ATOM 0 HG22 VAL A 73 -8.417 6.467 2.660 1.00 52.31 H new ATOM 0 HG23 VAL A 73 -8.065 6.771 4.377 1.00 52.31 H new ATOM 1138 N GLY A 74 -12.429 9.269 3.176 1.00 73.12 N ATOM 1139 CA GLY A 74 -13.812 9.657 3.379 1.00 55.34 C ATOM 1140 C GLY A 74 -13.945 10.914 4.216 1.00 22.21 C ATOM 1141 O GLY A 74 -14.977 11.141 4.846 1.00 13.53 O ATOM 0 H GLY A 74 -11.979 9.694 2.365 1.00 73.12 H new ATOM 0 HA2 GLY A 74 -14.287 9.817 2.411 1.00 55.34 H new ATOM 0 HA3 GLY A 74 -14.347 8.842 3.866 1.00 55.34 H new ATOM 1145 N GLU A 75 -12.896 11.731 4.224 1.00 54.54 N ATOM 1146 CA GLU A 75 -12.900 12.970 4.992 1.00 0.40 C ATOM 1147 C GLU A 75 -12.960 14.183 4.069 1.00 44.52 C ATOM 1148 O GLU A 75 -12.408 14.168 2.968 1.00 1.34 O ATOM 1149 CB GLU A 75 -11.656 13.051 5.878 1.00 44.42 C ATOM 1150 CG GLU A 75 -11.917 12.694 7.331 1.00 35.31 C ATOM 1151 CD GLU A 75 -12.590 11.344 7.488 1.00 35.02 C ATOM 1152 OE1 GLU A 75 -12.242 10.416 6.727 1.00 40.31 O ATOM 1153 OE2 GLU A 75 -13.464 11.214 8.370 1.00 4.54 O ATOM 0 H GLU A 75 -12.034 11.557 3.708 1.00 54.54 H new ATOM 0 HA GLU A 75 -13.788 12.972 5.624 1.00 0.40 H new ATOM 0 HB2 GLU A 75 -10.893 12.382 5.480 1.00 44.42 H new ATOM 0 HB3 GLU A 75 -11.251 14.062 5.829 1.00 44.42 H new ATOM 0 HG2 GLU A 75 -10.973 12.691 7.876 1.00 35.31 H new ATOM 0 HG3 GLU A 75 -12.543 13.463 7.783 1.00 35.31 H new ATOM 1160 N VAL A 76 -13.634 15.234 4.524 1.00 33.02 N ATOM 1161 CA VAL A 76 -13.767 16.456 3.741 1.00 43.13 C ATOM 1162 C VAL A 76 -12.707 17.480 4.134 1.00 31.23 C ATOM 1163 O VAL A 76 -12.378 17.626 5.311 1.00 73.22 O ATOM 1164 CB VAL A 76 -15.162 17.086 3.914 1.00 42.24 C ATOM 1165 CG1 VAL A 76 -15.297 18.330 3.049 1.00 52.33 C ATOM 1166 CG2 VAL A 76 -16.248 16.075 3.579 1.00 22.41 C ATOM 0 H VAL A 76 -14.097 15.263 5.432 1.00 33.02 H new ATOM 0 HA VAL A 76 -13.629 16.177 2.696 1.00 43.13 H new ATOM 0 HB VAL A 76 -15.281 17.382 4.956 1.00 42.24 H new ATOM 0 HG11 VAL A 76 -16.289 18.761 3.184 1.00 52.33 H new ATOM 0 HG12 VAL A 76 -14.541 19.059 3.340 1.00 52.33 H new ATOM 0 HG13 VAL A 76 -15.158 18.062 2.002 1.00 52.33 H new ATOM 0 HG21 VAL A 76 -17.227 16.537 3.707 1.00 22.41 H new ATOM 0 HG22 VAL A 76 -16.133 15.747 2.546 1.00 22.41 H new ATOM 0 HG23 VAL A 76 -16.163 15.216 4.244 1.00 22.41 H new ATOM 1176 N SER A 77 -12.176 18.186 3.141 1.00 34.34 N ATOM 1177 CA SER A 77 -11.151 19.194 3.383 1.00 15.21 C ATOM 1178 C SER A 77 -11.779 20.513 3.824 1.00 63.13 C ATOM 1179 O SER A 77 -12.973 20.577 4.116 1.00 61.34 O ATOM 1180 CB SER A 77 -10.311 19.411 2.123 1.00 74.03 C ATOM 1181 OG SER A 77 -9.038 19.943 2.443 1.00 61.21 O ATOM 0 H SER A 77 -12.439 18.078 2.161 1.00 34.34 H new ATOM 0 HA SER A 77 -10.505 18.834 4.184 1.00 15.21 H new ATOM 0 HB2 SER A 77 -10.191 18.465 1.595 1.00 74.03 H new ATOM 0 HB3 SER A 77 -10.832 20.089 1.447 1.00 74.03 H new ATOM 0 HG SER A 77 -8.905 19.913 3.413 1.00 61.21 H new ATOM 1187 N GLU A 78 -10.965 21.563 3.869 1.00 61.13 N ATOM 1188 CA GLU A 78 -11.440 22.880 4.274 1.00 55.42 C ATOM 1189 C GLU A 78 -11.702 23.763 3.056 1.00 4.11 C ATOM 1190 O GLU A 78 -11.224 23.498 1.952 1.00 34.04 O ATOM 1191 CB GLU A 78 -10.421 23.553 5.196 1.00 0.40 C ATOM 1192 CG GLU A 78 -9.442 22.581 5.833 1.00 11.51 C ATOM 1193 CD GLU A 78 -8.456 23.269 6.757 1.00 44.25 C ATOM 1194 OE1 GLU A 78 -8.871 23.703 7.851 1.00 53.32 O ATOM 1195 OE2 GLU A 78 -7.267 23.373 6.385 1.00 15.11 O ATOM 0 H GLU A 78 -9.974 21.527 3.630 1.00 61.13 H new ATOM 0 HA GLU A 78 -12.377 22.749 4.815 1.00 55.42 H new ATOM 0 HB2 GLU A 78 -9.863 24.296 4.626 1.00 0.40 H new ATOM 0 HB3 GLU A 78 -10.953 24.088 5.983 1.00 0.40 H new ATOM 0 HG2 GLU A 78 -9.996 21.828 6.394 1.00 11.51 H new ATOM 0 HG3 GLU A 78 -8.895 22.056 5.050 1.00 11.51 H new ATOM 1202 N PRO A 79 -12.478 24.837 3.261 1.00 63.12 N ATOM 1203 CA PRO A 79 -12.821 25.781 2.193 1.00 23.10 C ATOM 1204 C PRO A 79 -11.622 26.610 1.745 1.00 52.33 C ATOM 1205 O PRO A 79 -11.435 27.741 2.195 1.00 51.25 O ATOM 1206 CB PRO A 79 -13.881 26.678 2.837 1.00 23.24 C ATOM 1207 CG PRO A 79 -13.601 26.602 4.299 1.00 12.54 C ATOM 1208 CD PRO A 79 -13.080 25.214 4.550 1.00 11.30 C ATOM 0 HA PRO A 79 -13.165 25.270 1.294 1.00 23.10 H new ATOM 0 HB2 PRO A 79 -13.808 27.703 2.472 1.00 23.24 H new ATOM 0 HB3 PRO A 79 -14.888 26.329 2.608 1.00 23.24 H new ATOM 0 HG2 PRO A 79 -12.869 27.353 4.596 1.00 12.54 H new ATOM 0 HG3 PRO A 79 -14.504 26.791 4.879 1.00 12.54 H new ATOM 0 HD2 PRO A 79 -12.346 25.200 5.356 1.00 11.30 H new ATOM 0 HD3 PRO A 79 -13.879 24.530 4.835 1.00 11.30 H new ATOM 1216 N ILE A 80 -10.813 26.042 0.857 1.00 21.44 N ATOM 1217 CA ILE A 80 -9.633 26.730 0.349 1.00 72.01 C ATOM 1218 C ILE A 80 -10.018 27.811 -0.655 1.00 44.51 C ATOM 1219 O ILE A 80 -10.460 27.515 -1.765 1.00 62.15 O ATOM 1220 CB ILE A 80 -8.653 25.749 -0.321 1.00 31.20 C ATOM 1221 CG1 ILE A 80 -8.411 24.539 0.584 1.00 13.14 C ATOM 1222 CG2 ILE A 80 -7.341 26.448 -0.642 1.00 62.42 C ATOM 1223 CD1 ILE A 80 -7.714 24.884 1.882 1.00 61.44 C ATOM 0 H ILE A 80 -10.953 25.107 0.475 1.00 21.44 H new ATOM 0 HA ILE A 80 -9.143 27.191 1.207 1.00 72.01 H new ATOM 0 HB ILE A 80 -9.093 25.399 -1.255 1.00 31.20 H new ATOM 0 HG12 ILE A 80 -9.367 24.067 0.809 1.00 13.14 H new ATOM 0 HG13 ILE A 80 -7.813 23.805 0.044 1.00 13.14 H new ATOM 0 HG21 ILE A 80 -6.659 25.742 -1.115 1.00 62.42 H new ATOM 0 HG22 ILE A 80 -7.529 27.281 -1.320 1.00 62.42 H new ATOM 0 HG23 ILE A 80 -6.894 26.823 0.279 1.00 62.42 H new ATOM 0 HD11 ILE A 80 -7.576 23.978 2.473 1.00 61.44 H new ATOM 0 HD12 ILE A 80 -6.742 25.329 1.666 1.00 61.44 H new ATOM 0 HD13 ILE A 80 -8.321 25.594 2.443 1.00 61.44 H new ATOM 1235 N LYS A 81 -9.845 29.067 -0.259 1.00 2.50 N ATOM 1236 CA LYS A 81 -10.170 30.196 -1.124 1.00 74.41 C ATOM 1237 C LYS A 81 -9.119 30.366 -2.216 1.00 23.42 C ATOM 1238 O LYS A 81 -7.966 30.693 -1.934 1.00 1.13 O ATOM 1239 CB LYS A 81 -10.280 31.481 -0.301 1.00 44.22 C ATOM 1240 CG LYS A 81 -10.793 32.669 -1.096 1.00 4.31 C ATOM 1241 CD LYS A 81 -12.148 33.136 -0.589 1.00 65.12 C ATOM 1242 CE LYS A 81 -12.684 34.293 -1.418 1.00 72.05 C ATOM 1243 NZ LYS A 81 -12.861 33.916 -2.848 1.00 65.01 N ATOM 0 H LYS A 81 -9.481 29.330 0.657 1.00 2.50 H new ATOM 0 HA LYS A 81 -11.130 29.993 -1.598 1.00 74.41 H new ATOM 0 HB2 LYS A 81 -10.945 31.305 0.544 1.00 44.22 H new ATOM 0 HB3 LYS A 81 -9.300 31.725 0.110 1.00 44.22 H new ATOM 0 HG2 LYS A 81 -10.077 33.488 -1.031 1.00 4.31 H new ATOM 0 HG3 LYS A 81 -10.871 32.397 -2.149 1.00 4.31 H new ATOM 0 HD2 LYS A 81 -12.855 32.307 -0.620 1.00 65.12 H new ATOM 0 HD3 LYS A 81 -12.062 33.443 0.453 1.00 65.12 H new ATOM 0 HE2 LYS A 81 -13.639 34.621 -1.008 1.00 72.05 H new ATOM 0 HE3 LYS A 81 -11.999 35.138 -1.347 1.00 72.05 H new ATOM 0 HZ1 LYS A 81 -13.468 34.617 -3.319 1.00 65.01 H new ATOM 0 HZ2 LYS A 81 -11.933 33.890 -3.318 1.00 65.01 H new ATOM 0 HZ3 LYS A 81 -13.305 32.978 -2.907 1.00 65.01 H new ATOM 1257 N SER A 82 -9.523 30.142 -3.461 1.00 52.14 N ATOM 1258 CA SER A 82 -8.615 30.268 -4.595 1.00 44.33 C ATOM 1259 C SER A 82 -9.239 31.116 -5.700 1.00 25.20 C ATOM 1260 O SER A 82 -10.314 31.687 -5.525 1.00 34.31 O ATOM 1261 CB SER A 82 -8.252 28.886 -5.141 1.00 25.10 C ATOM 1262 OG SER A 82 -8.360 27.895 -4.134 1.00 5.13 O ATOM 0 H SER A 82 -10.474 29.872 -3.711 1.00 52.14 H new ATOM 0 HA SER A 82 -7.708 30.764 -4.249 1.00 44.33 H new ATOM 0 HB2 SER A 82 -8.910 28.636 -5.973 1.00 25.10 H new ATOM 0 HB3 SER A 82 -7.235 28.902 -5.532 1.00 25.10 H new ATOM 0 HG SER A 82 -8.124 27.021 -4.509 1.00 5.13 H new ATOM 1268 N GLU A 83 -8.554 31.191 -6.837 1.00 10.51 N ATOM 1269 CA GLU A 83 -9.040 31.970 -7.970 1.00 33.03 C ATOM 1270 C GLU A 83 -10.433 31.508 -8.389 1.00 2.51 C ATOM 1271 O GLU A 83 -11.201 32.271 -8.977 1.00 25.00 O ATOM 1272 CB GLU A 83 -8.074 31.851 -9.151 1.00 34.12 C ATOM 1273 CG GLU A 83 -7.936 30.435 -9.683 1.00 43.12 C ATOM 1274 CD GLU A 83 -6.660 30.233 -10.479 1.00 13.31 C ATOM 1275 OE1 GLU A 83 -6.467 30.954 -11.481 1.00 12.10 O ATOM 1276 OE2 GLU A 83 -5.857 29.356 -10.101 1.00 32.03 O ATOM 0 H GLU A 83 -7.662 30.723 -6.998 1.00 10.51 H new ATOM 0 HA GLU A 83 -9.099 33.014 -7.663 1.00 33.03 H new ATOM 0 HB2 GLU A 83 -8.416 32.501 -9.956 1.00 34.12 H new ATOM 0 HB3 GLU A 83 -7.092 32.212 -8.845 1.00 34.12 H new ATOM 0 HG2 GLU A 83 -7.954 29.734 -8.849 1.00 43.12 H new ATOM 0 HG3 GLU A 83 -8.794 30.202 -10.314 1.00 43.12 H new ATOM 1283 N PHE A 84 -10.752 30.255 -8.083 1.00 3.32 N ATOM 1284 CA PHE A 84 -12.051 29.691 -8.428 1.00 64.34 C ATOM 1285 C PHE A 84 -13.017 29.788 -7.252 1.00 21.00 C ATOM 1286 O PHE A 84 -14.234 29.748 -7.428 1.00 73.25 O ATOM 1287 CB PHE A 84 -11.898 28.231 -8.858 1.00 32.20 C ATOM 1288 CG PHE A 84 -10.821 28.016 -9.882 1.00 44.12 C ATOM 1289 CD1 PHE A 84 -10.853 28.691 -11.093 1.00 25.10 C ATOM 1290 CD2 PHE A 84 -9.775 27.141 -9.635 1.00 70.23 C ATOM 1291 CE1 PHE A 84 -9.862 28.497 -12.038 1.00 34.24 C ATOM 1292 CE2 PHE A 84 -8.782 26.943 -10.576 1.00 10.11 C ATOM 1293 CZ PHE A 84 -8.827 27.620 -11.778 1.00 42.35 C ATOM 0 H PHE A 84 -10.128 29.611 -7.597 1.00 3.32 H new ATOM 0 HA PHE A 84 -12.460 30.267 -9.258 1.00 64.34 H new ATOM 0 HB2 PHE A 84 -11.679 27.623 -7.980 1.00 32.20 H new ATOM 0 HB3 PHE A 84 -12.847 27.878 -9.262 1.00 32.20 H new ATOM 0 HD1 PHE A 84 -11.661 29.376 -11.301 1.00 25.10 H new ATOM 0 HD2 PHE A 84 -9.735 26.608 -8.697 1.00 70.23 H new ATOM 0 HE1 PHE A 84 -9.897 29.030 -12.977 1.00 34.24 H new ATOM 0 HE2 PHE A 84 -7.972 26.259 -10.371 1.00 10.11 H new ATOM 0 HZ PHE A 84 -8.053 27.464 -12.515 1.00 42.35 H new ATOM 1303 N GLY A 85 -12.465 29.916 -6.049 1.00 25.04 N ATOM 1304 CA GLY A 85 -13.291 30.016 -4.860 1.00 44.41 C ATOM 1305 C GLY A 85 -12.935 28.974 -3.818 1.00 71.13 C ATOM 1306 O GLY A 85 -11.805 28.490 -3.775 1.00 24.33 O ATOM 0 H GLY A 85 -11.460 29.952 -5.877 1.00 25.04 H new ATOM 0 HA2 GLY A 85 -13.181 31.010 -4.427 1.00 44.41 H new ATOM 0 HA3 GLY A 85 -14.339 29.904 -5.139 1.00 44.41 H new ATOM 1310 N TYR A 86 -13.902 28.629 -2.975 1.00 12.13 N ATOM 1311 CA TYR A 86 -13.685 27.641 -1.925 1.00 54.25 C ATOM 1312 C TYR A 86 -13.702 26.226 -2.496 1.00 43.14 C ATOM 1313 O TYR A 86 -14.698 25.789 -3.075 1.00 1.43 O ATOM 1314 CB TYR A 86 -14.754 27.777 -0.839 1.00 5.10 C ATOM 1315 CG TYR A 86 -14.695 29.091 -0.094 1.00 10.12 C ATOM 1316 CD1 TYR A 86 -13.552 29.469 0.601 1.00 61.31 C ATOM 1317 CD2 TYR A 86 -15.783 29.955 -0.084 1.00 43.55 C ATOM 1318 CE1 TYR A 86 -13.494 30.668 1.284 1.00 72.13 C ATOM 1319 CE2 TYR A 86 -15.733 31.157 0.595 1.00 14.44 C ATOM 1320 CZ TYR A 86 -14.587 31.509 1.278 1.00 73.22 C ATOM 1321 OH TYR A 86 -14.534 32.705 1.956 1.00 72.14 O ATOM 0 H TYR A 86 -14.844 29.019 -2.998 1.00 12.13 H new ATOM 0 HA TYR A 86 -12.704 27.825 -1.486 1.00 54.25 H new ATOM 0 HB2 TYR A 86 -15.739 27.671 -1.295 1.00 5.10 H new ATOM 0 HB3 TYR A 86 -14.643 26.960 -0.127 1.00 5.10 H new ATOM 0 HD1 TYR A 86 -12.694 28.813 0.607 1.00 61.31 H new ATOM 0 HD2 TYR A 86 -16.683 29.682 -0.616 1.00 43.55 H new ATOM 0 HE1 TYR A 86 -12.598 30.945 1.820 1.00 72.13 H new ATOM 0 HE2 TYR A 86 -16.587 31.818 0.591 1.00 14.44 H new ATOM 0 HH TYR A 86 -15.272 33.280 1.663 1.00 72.14 H new ATOM 1331 N HIS A 87 -12.592 25.515 -2.330 1.00 30.30 N ATOM 1332 CA HIS A 87 -12.478 24.148 -2.828 1.00 24.11 C ATOM 1333 C HIS A 87 -12.742 23.140 -1.714 1.00 34.04 C ATOM 1334 O HIS A 87 -12.099 23.178 -0.664 1.00 61.03 O ATOM 1335 CB HIS A 87 -11.090 23.914 -3.425 1.00 11.12 C ATOM 1336 CG HIS A 87 -10.879 24.602 -4.738 1.00 4.51 C ATOM 1337 ND1 HIS A 87 -11.053 23.974 -5.953 1.00 70.44 N ATOM 1338 CD2 HIS A 87 -10.507 25.873 -5.022 1.00 73.35 C ATOM 1339 CE1 HIS A 87 -10.797 24.827 -6.928 1.00 65.02 C ATOM 1340 NE2 HIS A 87 -10.463 25.987 -6.390 1.00 61.43 N ATOM 0 H HIS A 87 -11.759 25.862 -1.855 1.00 30.30 H new ATOM 0 HA HIS A 87 -13.228 24.008 -3.606 1.00 24.11 H new ATOM 0 HB2 HIS A 87 -10.336 24.260 -2.718 1.00 11.12 H new ATOM 0 HB3 HIS A 87 -10.936 22.843 -3.556 1.00 11.12 H new ATOM 0 HD1 HIS A 87 -11.335 23.002 -6.079 1.00 70.44 H new ATOM 0 HD2 HIS A 87 -10.286 26.651 -4.307 1.00 73.35 H new ATOM 0 HE1 HIS A 87 -10.851 24.613 -7.985 1.00 65.02 H new ATOM 1348 N ILE A 88 -13.692 22.242 -1.948 1.00 22.30 N ATOM 1349 CA ILE A 88 -14.040 21.224 -0.964 1.00 74.14 C ATOM 1350 C ILE A 88 -13.660 19.831 -1.455 1.00 52.15 C ATOM 1351 O ILE A 88 -14.487 19.115 -2.022 1.00 3.54 O ATOM 1352 CB ILE A 88 -15.545 21.249 -0.637 1.00 61.24 C ATOM 1353 CG1 ILE A 88 -15.950 22.623 -0.102 1.00 73.44 C ATOM 1354 CG2 ILE A 88 -15.886 20.160 0.369 1.00 14.21 C ATOM 1355 CD1 ILE A 88 -15.231 23.013 1.169 1.00 24.11 C ATOM 0 H ILE A 88 -14.235 22.198 -2.810 1.00 22.30 H new ATOM 0 HA ILE A 88 -13.476 21.453 -0.060 1.00 74.14 H new ATOM 0 HB ILE A 88 -16.104 21.058 -1.553 1.00 61.24 H new ATOM 0 HG12 ILE A 88 -15.752 23.374 -0.867 1.00 73.44 H new ATOM 0 HG13 ILE A 88 -17.024 22.630 0.081 1.00 73.44 H new ATOM 0 HG21 ILE A 88 -16.953 20.190 0.590 1.00 14.21 H new ATOM 0 HG22 ILE A 88 -15.629 19.186 -0.048 1.00 14.21 H new ATOM 0 HG23 ILE A 88 -15.320 20.322 1.287 1.00 14.21 H new ATOM 0 HD11 ILE A 88 -15.568 23.999 1.490 1.00 24.11 H new ATOM 0 HD12 ILE A 88 -15.449 22.283 1.949 1.00 24.11 H new ATOM 0 HD13 ILE A 88 -14.157 23.039 0.986 1.00 24.11 H new ATOM 1367 N ILE A 89 -12.406 19.453 -1.233 1.00 21.33 N ATOM 1368 CA ILE A 89 -11.917 18.144 -1.651 1.00 14.40 C ATOM 1369 C ILE A 89 -12.286 17.071 -0.633 1.00 23.33 C ATOM 1370 O ILE A 89 -12.094 17.247 0.571 1.00 55.23 O ATOM 1371 CB ILE A 89 -10.390 18.150 -1.845 1.00 53.12 C ATOM 1372 CG1 ILE A 89 -9.959 19.387 -2.635 1.00 52.42 C ATOM 1373 CG2 ILE A 89 -9.942 16.880 -2.555 1.00 2.32 C ATOM 1374 CD1 ILE A 89 -9.252 20.425 -1.792 1.00 50.52 C ATOM 0 H ILE A 89 -11.710 20.034 -0.766 1.00 21.33 H new ATOM 0 HA ILE A 89 -12.394 17.917 -2.604 1.00 14.40 H new ATOM 0 HB ILE A 89 -9.914 18.184 -0.865 1.00 53.12 H new ATOM 0 HG12 ILE A 89 -9.300 19.079 -3.446 1.00 52.42 H new ATOM 0 HG13 ILE A 89 -10.838 19.840 -3.093 1.00 52.42 H new ATOM 0 HG21 ILE A 89 -8.860 16.898 -2.685 1.00 2.32 H new ATOM 0 HG22 ILE A 89 -10.221 16.012 -1.958 1.00 2.32 H new ATOM 0 HG23 ILE A 89 -10.424 16.819 -3.531 1.00 2.32 H new ATOM 0 HD11 ILE A 89 -8.975 21.274 -2.417 1.00 50.52 H new ATOM 0 HD12 ILE A 89 -9.917 20.762 -0.996 1.00 50.52 H new ATOM 0 HD13 ILE A 89 -8.354 19.988 -1.355 1.00 50.52 H new ATOM 1386 N LYS A 90 -12.814 15.954 -1.124 1.00 44.43 N ATOM 1387 CA LYS A 90 -13.206 14.848 -0.259 1.00 33.32 C ATOM 1388 C LYS A 90 -12.722 13.516 -0.825 1.00 12.40 C ATOM 1389 O LYS A 90 -13.110 13.121 -1.923 1.00 62.44 O ATOM 1390 CB LYS A 90 -14.727 14.820 -0.092 1.00 34.34 C ATOM 1391 CG LYS A 90 -15.238 13.574 0.612 1.00 53.13 C ATOM 1392 CD LYS A 90 -16.752 13.590 0.745 1.00 51.13 C ATOM 1393 CE LYS A 90 -17.245 12.468 1.646 1.00 64.02 C ATOM 1394 NZ LYS A 90 -18.583 11.968 1.228 1.00 71.24 N ATOM 0 H LYS A 90 -12.980 15.791 -2.117 1.00 44.43 H new ATOM 0 HA LYS A 90 -12.741 14.999 0.715 1.00 33.32 H new ATOM 0 HB2 LYS A 90 -15.039 15.699 0.472 1.00 34.34 H new ATOM 0 HB3 LYS A 90 -15.194 14.889 -1.075 1.00 34.34 H new ATOM 0 HG2 LYS A 90 -14.930 12.689 0.056 1.00 53.13 H new ATOM 0 HG3 LYS A 90 -14.786 13.502 1.601 1.00 53.13 H new ATOM 0 HD2 LYS A 90 -17.072 14.550 1.149 1.00 51.13 H new ATOM 0 HD3 LYS A 90 -17.206 13.492 -0.241 1.00 51.13 H new ATOM 0 HE2 LYS A 90 -16.529 11.647 1.628 1.00 64.02 H new ATOM 0 HE3 LYS A 90 -17.296 12.824 2.675 1.00 64.02 H new ATOM 0 HZ1 LYS A 90 -18.839 11.139 1.802 1.00 71.24 H new ATOM 0 HZ2 LYS A 90 -19.292 12.716 1.366 1.00 71.24 H new ATOM 0 HZ3 LYS A 90 -18.555 11.699 0.224 1.00 71.24 H new ATOM 1408 N ARG A 91 -11.873 12.831 -0.066 1.00 72.02 N ATOM 1409 CA ARG A 91 -11.336 11.543 -0.492 1.00 12.41 C ATOM 1410 C ARG A 91 -12.393 10.450 -0.379 1.00 74.25 C ATOM 1411 O ARG A 91 -13.275 10.510 0.478 1.00 35.33 O ATOM 1412 CB ARG A 91 -10.112 11.174 0.348 1.00 55.11 C ATOM 1413 CG ARG A 91 -9.497 9.837 -0.029 1.00 2.34 C ATOM 1414 CD ARG A 91 -8.172 9.613 0.684 1.00 52.14 C ATOM 1415 NE ARG A 91 -7.853 8.194 0.814 1.00 0.31 N ATOM 1416 CZ ARG A 91 -6.632 7.735 1.064 1.00 2.13 C ATOM 1417 NH1 ARG A 91 -5.620 8.579 1.212 1.00 13.52 N ATOM 1418 NH2 ARG A 91 -6.421 6.429 1.170 1.00 42.53 N ATOM 0 H ARG A 91 -11.542 13.145 0.846 1.00 72.02 H new ATOM 0 HA ARG A 91 -11.038 11.629 -1.537 1.00 12.41 H new ATOM 0 HB2 ARG A 91 -9.359 11.954 0.240 1.00 55.11 H new ATOM 0 HB3 ARG A 91 -10.397 11.150 1.400 1.00 55.11 H new ATOM 0 HG2 ARG A 91 -10.188 9.033 0.224 1.00 2.34 H new ATOM 0 HG3 ARG A 91 -9.343 9.797 -1.107 1.00 2.34 H new ATOM 0 HD2 ARG A 91 -7.375 10.115 0.134 1.00 52.14 H new ATOM 0 HD3 ARG A 91 -8.212 10.068 1.674 1.00 52.14 H new ATOM 0 HE ARG A 91 -8.609 7.518 0.707 1.00 0.31 H new ATOM 0 HH11 ARG A 91 -5.778 9.584 1.134 1.00 13.52 H new ATOM 0 HH12 ARG A 91 -4.683 8.224 1.404 1.00 13.52 H new ATOM 0 HH21 ARG A 91 -7.197 5.776 1.059 1.00 42.53 H new ATOM 0 HH22 ARG A 91 -5.483 6.078 1.362 1.00 42.53 H new ATOM 1432 N PHE A 92 -12.299 9.450 -1.251 1.00 15.23 N ATOM 1433 CA PHE A 92 -13.248 8.344 -1.250 1.00 71.34 C ATOM 1434 C PHE A 92 -12.520 7.003 -1.296 1.00 54.42 C ATOM 1435 O PHE A 92 -12.964 6.023 -0.701 1.00 63.33 O ATOM 1436 CB PHE A 92 -14.202 8.460 -2.441 1.00 44.12 C ATOM 1437 CG PHE A 92 -15.251 9.522 -2.268 1.00 24.41 C ATOM 1438 CD1 PHE A 92 -14.925 10.862 -2.398 1.00 55.53 C ATOM 1439 CD2 PHE A 92 -16.561 9.178 -1.974 1.00 4.42 C ATOM 1440 CE1 PHE A 92 -15.888 11.842 -2.239 1.00 74.15 C ATOM 1441 CE2 PHE A 92 -17.527 10.153 -1.814 1.00 43.24 C ATOM 1442 CZ PHE A 92 -17.190 11.487 -1.946 1.00 75.42 C ATOM 0 H PHE A 92 -11.575 9.384 -1.967 1.00 15.23 H new ATOM 0 HA PHE A 92 -13.824 8.394 -0.326 1.00 71.34 H new ATOM 0 HB2 PHE A 92 -13.624 8.675 -3.340 1.00 44.12 H new ATOM 0 HB3 PHE A 92 -14.692 7.499 -2.599 1.00 44.12 H new ATOM 0 HD1 PHE A 92 -13.908 11.145 -2.626 1.00 55.53 H new ATOM 0 HD2 PHE A 92 -16.830 8.137 -1.869 1.00 4.42 H new ATOM 0 HE1 PHE A 92 -15.622 12.883 -2.344 1.00 74.15 H new ATOM 0 HE2 PHE A 92 -18.545 9.873 -1.586 1.00 43.24 H new ATOM 0 HZ PHE A 92 -17.944 12.250 -1.820 1.00 75.42 H new ATOM 1452 N GLY A 93 -11.399 6.970 -2.010 1.00 24.32 N ATOM 1453 CA GLY A 93 -10.627 5.746 -2.123 1.00 32.44 C ATOM 1454 C GLY A 93 -11.476 4.562 -2.542 1.00 44.21 C ATOM 1455 O GLY A 93 -11.289 3.450 -2.047 1.00 54.15 O ATOM 0 H GLY A 93 -11.012 7.769 -2.512 1.00 24.32 H new ATOM 0 HA2 GLY A 93 -9.827 5.890 -2.849 1.00 32.44 H new ATOM 0 HA3 GLY A 93 -10.153 5.529 -1.166 1.00 32.44 H new